A0A061IQH8_CRIGR Loading...

DNA-directed RNA polymerases I and III subunit RPAC1

DNA-dependent RNA polymerase catalyzes the transcription of DNA into RNA using the four ribonucleoside triphosphates as substrates. Common component of RNA polymerases I and III which synthesize ribosomal RNA precursors and short non-coding RNAs including 5S rRNA, snRNAs, tRNAs and miRNAs, respectively. POLR1C/RPAC1 is part of the polymerase core and may function as a clamp element that moves to open and close the cleft.

AlphaFold DB , UniProt , Accession A0A061IQH8, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Polr1c, Length 346 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M59.2Low87.1Confident215 Ų21586.7 Ų86.7100%1.05951%0.506SS*.  0-56.20-70.6-162.9-81.800112A3 A4 Q5M1-A3 PolarHBondContact O-N 3.16Å; M1-A4 PolarHBondContact O-N 2.96Å; M1-Q5 PolarHBondContact O-N 2.79Å
2A73.3Confident87.8Confident81 Ų8182.1 Ų82.167%0.66948%0.48SS*.Hα-helixtrans-59.4-40.4-179.800000115.2A4 Q5 A6A2-A4 PolarHBondContact O-N 2.85Å; A2-Q5 PolarHBondContact O-N 2.66Å; A2-A6 PolarHBondContact O-N 3.13Å; A2-A6 VanDerWaalsContact O-N 3.14Å
3A84.4Confident88.6Confident79 Ų7980.4 Ų80.465%0.65346%0.46SS*.Hα-helixtrans-65.3-38.517900000113.1M1 Q5 A6 V7M1-A3 PolarHBondContact O-N 3.16Å; A3-Q5 VanDerWaalsContact C-N 3.34Å; A3-A6 PolarHBondContact O-N 3.48Å; A3-V7 WeakPolarHBondContact O-CG2 3.45Å; A3-V7 PolarHBondContact O-N 3.34Å; A3-V7 VanDerWaalsContact O-N 3.09Å
4A87.6Confident89.3Confident62 Ų6276.1 Ų76.151%0.51244%0.436SS..Hα-helixtrans-66.2-37.9177.600000111.7M1 A2 V7 E8M1-A4 PolarHBondContact O-N 2.96Å; A2-A4 PolarHBondContact O-N 2.85Å; A4-V7 PolarHBondContact O-N 2.8Å; A4-E8 PolarHBondContact O-N 3Å
5Q89.3Confident89.8Confident145 Ų14571.5 Ų71.568%0.67841%0.41SS*.Hα-helixtrans-67-37.6176.8-170.4170.55.100112.5M1 A2 A3 E8 E9M1-Q5 PolarHBondContact O-N 2.79Å; A2-Q5 PolarHBondContact O-N 2.66Å; A3-Q5 VanDerWaalsContact C-N 3.34Å; Q5-E8 PolarHBondContact O-N 2.79Å; Q5-E9 PolarHBondContact O-N 2.74Å
6A91.6Very high90.3Very high56 Ų5668 Ų6846%0.46339%0.389SS..Hα-helixtrans-66.6-38.4174.100000112.2A2 A3 E9 M10A2-A6 PolarHBondContact O-N 3.13Å; A2-A6 VanDerWaalsContact O-N 3.14Å; A3-A6 PolarHBondContact O-N 3.48Å; A6-E9 PolarHBondContact O-N 3.3Å; A6-M10 WeakPolarHBondContact O-CB 3.49Å; A6-M10 PolarHBondContact O-N 3.17Å
7V93.6Very high90.6Very high49 Ų4964.9 Ų64.930%0.29738%0.376SS..Hα-helixtrans-63.7-43.8173.8170.70000110.8A3 A4 E9 M10 R11 Y33 Y36A3-V7 WeakPolarHBondContact O-CG2 3.45Å; A3-V7 PolarHBondContact O-N 3.34Å; A3-V7 VanDerWaalsContact O-N 3.09Å; A4-V7 PolarHBondContact O-N 2.8Å; V7-E9 PolarHBondContact O-N 2.9Å; V7-M10 WeakPolarHBondContact O-CB 3.44Å; V7-M10 PolarHBondContact O-N 2.89Å; V7-R11 WeakPolarHBondContact O-CG 3.16Å; V7-R11 PolarHBondContact O-N 3.29Å; V7-R11 VanDerWaalsContact O-N 3.1Å; V7-Y33 HydrophobicContact CG1-CD1 3.62Å; V7-Y33 HydrophobicContact CG1-CE1 3.81Å; V7-Y33 HydrophobicContact CG1-CG 4.48Å; V7-Y36 HydrophobicContact CG1-CE2 3.97Å
8E93.9Very high90.9Very high78 Ų7866.1 Ų66.136%0.36438%0.377SS..Hα-helixtrans-61.6-43.5177.5-170.858.9-156.700112.1A4 Q5 R11 T12 Y36A4-E8 PolarHBondContact O-N 3Å; Q5-E8 PolarHBondContact O-N 2.79Å; E8-R11 VanDerWaalsContact O-CG 3.26Å; E8-R11 WeakPolarHBondContact O-CG 3.49Å; E8-R11 PolarHBondContact O-N 3.36Å; E8-T12 WeakPolarHBondContact O-CB 3.47Å; E8-T12 WeakPolarHBondContact O-CG2 3.48Å; E8-T12 PolarHBondContact O-N 3.42Å; E8-T12 PolarHBondContact O-OG1 2.8Å; E8-T12 WeakPolarHBondContact OE1-CG2 3.33Å; E8-Y36 PolarHBondContact OE2-OH 3.16Å
9E94.9Very high91.2Very high62 Ų6272.5 Ų72.529%0.2940%0.401SS..Hα-helixtrans-64.5-40.9175.1-174.9173.2-152.100111.7Q5 A6 V7 R11 T12 R13 V15 R298Q5-E9 PolarHBondContact O-N 2.74Å; A6-E9 PolarHBondContact O-N 3.3Å; V7-E9 PolarHBondContact O-N 2.9Å; E9-R11 VanDerWaalsContact C-N 3.28Å; E9-R11 PolarHBondContact O-N 3.36Å; E9-T12 PolarHBondContact O-N 3.38Å; E9-R13 HydrophobicContact CG-CB 4.08Å; E9-R13 PolarHBondContact O-N 3.4Å; E9-V15 HydrophobicContact CG-CG2 4.19Å; E9-R298 WeakPolarHBondContact OE1-CD 3.42Å; E9-R298 IonicContact OE1-NH1 2.74Å
10M94.8Very high91.4Very high87 Ų8770.6 Ų70.643%0.42940%0.398SS..Hα-helixtrans-60.1-37.4178.6-174.1-178175.900112.7A6 V7 Y33 R303A6-M10 WeakPolarHBondContact O-CB 3.49Å; A6-M10 PolarHBondContact O-N 3.17Å; V7-M10 WeakPolarHBondContact O-CB 3.44Å; V7-M10 PolarHBondContact O-N 2.89Å; M10-Y33 HydrophobicContact SD-CE1 4.44Å; M10-R303 PolarHBondContact O-NH2 2.61Å
11R94.9Very high91.7Very high40 Ų4070.2 Ų70.215%0.15140%0.397CS..Hα-helixtrans-87.5-25.1-178.671.7173.8-62.4160.111.2114.4V7 E8 E9 Y33 D38 R303V7-R11 WeakPolarHBondContact O-CG 3.16Å; V7-R11 PolarHBondContact O-N 3.29Å; V7-R11 VanDerWaalsContact O-N 3.1Å; E8-R11 VanDerWaalsContact O-CG 3.26Å; E8-R11 WeakPolarHBondContact O-CG 3.49Å; E8-R11 PolarHBondContact O-N 3.36Å; E9-R11 VanDerWaalsContact C-N 3.28Å; E9-R11 PolarHBondContact O-N 3.36Å; R11-Y33 HydrophobicContact CB-CE2 4.21Å; R11-D38 IonicContact CZ-OD1 2.61Å; R11-D38 IonicContact NH1-OD1 3.72Å; R11-D38 IonicContact NH2-OD1 3.06Å; R11-D38 PolarHBondContact NH2-OD1 2.85Å; R11-D38 IonicContact NH2-OD2 3.91Å; R11-R303 VanDerWaalsContact C-NH1 3.35Å; R11-R303 VanDerWaalsContact O-CZ 3.31Å; R11-R303 PolarHBondContact O-NH1 3.2Å
12T96.6Very high93.6Very high31 Ų3167.4 Ų67.419%0.1938%0.375CS..Hα-helixtrans-113.7-15.5-171.863.30000115E8 E9 R303E8-T12 WeakPolarHBondContact O-CB 3.47Å; E8-T12 WeakPolarHBondContact O-CG2 3.48Å; E8-T12 PolarHBondContact O-N 3.42Å; E8-T12 PolarHBondContact O-OG1 2.8Å; E8-T12 WeakPolarHBondContact OE1-CG2 3.33Å; E9-T12 PolarHBondContact O-N 3.38Å; T12-R303 PolarHBondContact O-N 3.48Å
13R97.8Very high94.7Very high60 Ų6066 Ų6623%0.22636%0.356CS..EExtended strand (participates in β ladder)trans-129.3128.9-173.4-65.6-62.5-177.5-84.51112.4E9 V15 N23 D238 A300 R301E9-R13 HydrophobicContact CG-CB 4.08Å; E9-R13 PolarHBondContact O-N 3.4Å; R13-V15 HydrophobicContact CB-CG2 4.34Å; R13-N23 VanDerWaalsContact O-CB 3.24Å; R13-N23 WeakPolarHBondContact O-CB 3.47Å; R13-N23 PolarHBondContact O-ND2 2.95Å; R13-D238 IonicContact CZ-OD2 2.79Å; R13-D238 IonicContact NE-OD2 2.81Å; R13-D238 PolarHBondContact NE-OD2 3.15Å; R13-D238 IonicContact NH2-OD2 3.81Å; R13-D238 PolarHBondContact NH2-OD2 3.23Å; R13-A300 HydrophobicContact CB-CB 4.28Å; R13-R301 WeakPolarHBondContact CA-O 3.42Å
14V97.9Very high95.2Very high20 Ų2066.2 Ų66.212%0.12135%0.349CS..EExtended strand (participates in β ladder)trans-90.8111.6166.8-175.30000107.6V21 L235 A300 R301V14-V21 HydrophobicContact CG1-CG1 3.46Å; V14-V21 VanDerWaalsContact CG1-CG1 3.46Å; V14-L235 HydrophobicContact CG2-CD2 4.02Å; V14-A300 CarbonylContact O-C 3.57Å; V14-A300 VanDerWaalsContact O-CA 3.29Å; V14-A300 WeakPolarHBondContact O-CA 3.32Å; V14-R301 HydrophobicContact CB-CB 4.2Å; V14-R301 PolarHBondContact N-O 3.21Å; V14-R301 PolarHBondContact O-N 3.44Å
15V97.6Very high95.6Very high7 Ų770.1 Ų70.14%0.04236%0.357CS..EExtended strand (participates in β ladder)trans-97.4132.1-171-177.90000110.4E9 R13 V21 R22 A300E9-V15 HydrophobicContact CG-CG2 4.19Å; R13-V15 HydrophobicContact CB-CG2 4.34Å; V15-V21 WeakPolarHBondContact O-CA 3.47Å; V15-R22 PolarHBondContact N-O 3.03Å; V15-R22 VanDerWaalsContact N-O 3.16Å; V15-R22 PolarHBondContact O-N 3.17Å; V15-A300 HydrophobicContact CG2-CB 4.49Å
16L97.8Very high95.8Very high16 Ų1665 Ų658%0.08434%0.335CS..EExtended strand (participates in β ladder)trans-99.5112.3178.1-71.578.5000109.4V21 F283 F288 L299 R301L16-V21 HydrophobicContact CG-CG2 4.38Å; L16-F283 HydrophobicContact CD1-CD2 4.18Å; L16-F283 HydrophobicContact CD1-CE2 3.84Å; L16-F283 HydrophobicContact CD2-CB 4.29Å; L16-F283 HydrophobicContact CD2-CD2 3.41Å; L16-F283 VanDerWaalsContact CD2-CD2 3.41Å; L16-F283 HydrophobicContact CD2-CE2 3.92Å; L16-F283 HydrophobicContact CD2-CG 4.11Å; L16-F283 HydrophobicContact CG-CD2 4.44Å; L16-F288 WeakPolarHBondContact O-CZ 3.41Å; L16-L299 HydrophobicContact CB-CB 4.2Å; L16-L299 PolarHBondContact N-O 3.24Å; L16-R301 HydrophobicContact CD1-CG 3.99Å
17G95.5Very high96Very high15 Ų1563.4 Ų63.416%0.15532%0.32CS..  trans-93.3177.2168.800000112.3G20 R285G17-G20 WeakPolarHBondContact CA-O 3.37Å; G17-G20 PolarHBondContact N-O 3.37Å; G17-R285 PolarHBondContact O-NH1 3.42Å
18E96.1Very high96Very high86 Ų8664.3 Ų64.340%0.40232%0.323SS..SBendtrans-59.6-51.5176.3-174.7178.4171.700111.6F288E18-F288 HydrophobicContact CB-CB 4.23Å; E18-F288 HydrophobicContact CB-CD1 4.2Å; E18-F288 HydrophobicContact CB-CD2 4.26Å; E18-F288 HydrophobicContact CB-CG 3.98Å; E18-F288 HydrophobicContact CG-CB 3.99Å; E18-F288 HydrophobicContact CG-CG 4.3Å
19F96.1Very high96Very high188 Ų18865.8 Ų65.883%0.82533%0.329SS*.SBendtrans-94.2-11.5-173.5-52.6-65.2000114.7
20G95.9Very high96.1Very high34 Ų3467 Ų6735%0.35134%0.342SS..  trans-177164.9-172.300000114.2G17G17-G20 WeakPolarHBondContact CA-O 3.37Å; G17-G20 PolarHBondContact N-O 3.37Å
21V97.5Very high96Very high63 Ų6366.6 Ų66.638%0.38236%0.36SS..EExtended strand (participates in β ladder)trans-98.3137.5176.4-171.60000108.8V14 V15 L16 V24V14-V21 HydrophobicContact CG1-CG1 3.46Å; V14-V21 VanDerWaalsContact CG1-CG1 3.46Å; V15-V21 WeakPolarHBondContact O-CA 3.47Å; L16-V21 HydrophobicContact CG-CG2 4.38Å; V21-V24 HydrophobicContact CB-CG1 4.07Å; V21-V24 HydrophobicContact CG1-CG1 3.78Å
22R97.4Very high96Very high156 Ų15669 Ų6959%0.58938%0.376SS*.EExtended strand (participates in β ladder)trans-114.2161179.9-62.9-178.9-65.3-162.11.2110.4V15 V24V15-R22 PolarHBondContact N-O 3.03Å; V15-R22 VanDerWaalsContact N-O 3.16Å; V15-R22 PolarHBondContact O-N 3.17Å; R22-V24 VanDerWaalsContact C-N 3.32Å; R22-V24 PolarHBondContact O-N 2.92Å
23N96.6Very high95.9Very high51 Ų5169.1 Ų69.127%0.27337%0.373SS..  trans58.440.8178.9-50.7-20.9000113.1R13 H25 R303R13-N23 VanDerWaalsContact O-CB 3.24Å; R13-N23 WeakPolarHBondContact O-CB 3.47Å; R13-N23 PolarHBondContact O-ND2 2.95Å; N23-H25 VanDerWaalsContact C-N 3.34Å; N23-R303 PolarHBondContact O-NH2 2.79Å
24V95.5Very high95.6Very high85 Ų8571.9 Ų71.952%0.51540%0.401SS..  trans-75.4-21.3-174.1-62.30000114V21 R22V21-V24 HydrophobicContact CB-CG1 4.07Å; V21-V24 HydrophobicContact CG1-CG1 3.78Å; R22-V24 VanDerWaalsContact C-N 3.32Å; R22-V24 PolarHBondContact O-N 2.92Å
25H95.7Very high95.2Very high143 Ų14375.1 Ų75.166%0.66244%0.439SS*.SBendtrans-92.7144.4-177.3-58.5-61.7000111.4N23 R303N23-H25 VanDerWaalsContact C-N 3.34Å; H25-R303 VanDerWaalsContact O-CZ 3.25Å; H25-R303 PolarHBondContact O-NH1 2.83Å; H25-R303 PolarHBondContact O-NH2 3.2Å
26T94.8Very high95Very high37 Ų3779.1 Ų79.123%0.22745%0.454CS..  trans-68132.9164.2-56.80000108.7D28 F29 D69T26-D28 WeakPolarHBondContact CG2-OD1 3.46Å; T26-F29 HydrophobicContact CG2-CE2 4.01Å; T26-F29 HydrophobicContact CG2-CZ 4.05Å; T26-D69 VanDerWaalsContact CG2-OD1 3.25Å; T26-D69 WeakPolarHBondContact CG2-OD1 3.46Å; T26-D69 PolarHBondContact OG1-OD1 2.86Å
27T95.1Very high94.9Very high24 Ų2484 Ų8415%0.14748%0.48CS..  trans-136.3-4.8-169.850.50000113.9F29 N32 Y33 R303T27-F29 PolarHBondContact O-N 3.22Å; T27-N32 VanDerWaalsContact O-CB 3.3Å; T27-N32 WeakPolarHBondContact O-CB 3.5Å; T27-N32 PolarHBondContact O-ND2 2.77Å; T27-Y33 VanDerWaalsContact CB-OH 3.28Å; T27-Y33 WeakPolarHBondContact CB-OH 3.32Å; T27-Y33 VanDerWaalsContact O-CE2 3.26Å; T27-Y33 WeakPolarHBondContact O-CE2 3.32Å; T27-Y33 PolarHBondContact OG1-OH 2.9Å; T27-R303 PolarHBondContact OG1-NH1 2.87Å
28D93.5Very high94.9Very high68 Ų6884.3 Ų84.336%0.36448%0.478SS..  trans-76.759.5174.953.2-32.5000111.5T26T26-D28 WeakPolarHBondContact CG2-OD1 3.46Å
29F95Very high94.9Very high109 Ų10982.1 Ų82.148%0.47848%0.475SS..SBendtrans-112.7149.5171.7-62.2-71.7000110T26 T27 G31 N32T26-F29 HydrophobicContact CG2-CE2 4.01Å; T26-F29 HydrophobicContact CG2-CZ 4.05Å; T27-F29 PolarHBondContact O-N 3.22Å; F29-G31 PolarHBondContact O-N 3.06Å; F29-N32 WeakPolarHBondContact O-CB 3.2Å; F29-N32 PolarHBondContact O-N 3.25Å; F29-N32 VanDerWaalsContact O-N 3.16Å
30P95.7Very high94.9Very high87 Ų8782.2 Ų82.257%0.56547%0.47SS*.THydrogen-bonded Turntrans-59.3129.1-17523.9-34.2000111.4
31G93.6Very high95Very high78 Ų7883.6 Ų83.680%0.80447%0.469SS*.THydrogen-bonded Turntrans93.1-5.9179.700000115.6F29F29-G31 PolarHBondContact O-N 3.06Å
32N94.4Very high95Very high92 Ų9284.5 Ų84.549%0.49247%0.469SS..SBendtrans-77.1-29.6179.8-76.7-11.5000114T27 F29T27-N32 VanDerWaalsContact O-CB 3.3Å; T27-N32 WeakPolarHBondContact O-CB 3.5Å; T27-N32 PolarHBondContact O-ND2 2.77Å; F29-N32 WeakPolarHBondContact O-CB 3.2Å; F29-N32 PolarHBondContact O-N 3.25Å; F29-N32 VanDerWaalsContact O-N 3.16Å
33Y94.1Very high95Very high32 Ų3282.9 Ų82.913%0.12547%0.472CS..SBendtrans-128138.9-177.5-62.4-78.4000112.1V7 M10 R11 T27 Y36V7-Y33 HydrophobicContact CG1-CD1 3.62Å; V7-Y33 HydrophobicContact CG1-CE1 3.81Å; V7-Y33 HydrophobicContact CG1-CG 4.48Å; M10-Y33 HydrophobicContact SD-CE1 4.44Å; R11-Y33 HydrophobicContact CB-CE2 4.21Å; T27-Y33 VanDerWaalsContact CB-OH 3.28Å; T27-Y33 WeakPolarHBondContact CB-OH 3.32Å; T27-Y33 VanDerWaalsContact O-CE2 3.26Å; T27-Y33 WeakPolarHBondContact O-CE2 3.32Å; T27-Y33 PolarHBondContact OG1-OH 2.9Å; Y33-Y36 HydrophobicContact CG-CD2 4.37Å
34S91.4Very high95Very high118 Ų11884.7 Ų84.783%0.82548%0.475SS*.THydrogen-bonded Turntrans-72.2130.8171.557.40000111Y36S34-Y36 VanDerWaalsContact C-N 3.34Å
35G91Very high95.1Very high88 Ų8883.3 Ų83.391%0.90746%0.462SS*.THydrogen-bonded Turntrans84.41.5175.400000115.5
36Y93.2Very high95.2Very high91 Ų9182.2 Ų82.236%0.35746%0.457SS..  trans-112144172.2-66.5-74.5000110.8V7 E8 Y33 S34V7-Y36 HydrophobicContact CG1-CE2 3.97Å; E8-Y36 PolarHBondContact OE2-OH 3.16Å; Y33-Y36 HydrophobicContact CG-CD2 4.37Å; S34-Y36 VanDerWaalsContact C-N 3.34Å
37D94.5Very high95.3Very high119 Ų11988.9 Ų88.964%0.63648%0.483SS*.  trans-108.594.2171.3-175.69.1000109.3A39D37-A39 WeakPolarHBondContact OD1-CB 3.44Å; D37-A39 PolarHBondContact OD1-N 3.15Å
38D94.9Very high95.4Very high22 Ų2292.1 Ų92.112%0.11850%0.5CS..  trans-97.618.3-178.8-60.4-43.2000111.8R11R11-D38 IonicContact CZ-OD1 2.61Å; R11-D38 IonicContact NH1-OD1 3.72Å; R11-D38 IonicContact NH2-OD1 3.06Å; R11-D38 PolarHBondContact NH2-OD1 2.85Å; R11-D38 IonicContact NH2-OD2 3.91Å
39A96.4Very high95.7Very high40 Ų4092.1 Ų92.133%0.33150%0.496SS..SBendtrans-65.1153.7171.200000111.3D37 D41 R44D37-A39 WeakPolarHBondContact OD1-CB 3.44Å; D37-A39 PolarHBondContact OD1-N 3.15Å; A39-D41 PolarHBondContact O-N 3.4Å; A39-R44 PolarHBondContact O-NH2 3.28Å
40W97.1Very high95.8Very high190 Ų19092.8 Ų92.872%0.7250%0.496SS*.  trans-61.1130.4179.7-179.6-102.8000111.6Q42 F45W40-Q42 VanDerWaalsContact CZ2-OE1 3.27Å; W40-F45 HydrophobicContact CH2-CB 4.26Å; W40-F45 HydrophobicContact CH2-CD1 4.42Å; W40-F45 HydrophobicContact CH2-CD2 4.42Å; W40-F45 HydrophobicContact CH2-CG 4.1Å
41D97.6Very high95.9Very high62 Ų6292 Ų9233%0.33249%0.489SS..  trans-143.8110.3-178.9177.9-9.5000108.3A39 D43 R44 F45A39-D41 PolarHBondContact O-N 3.4Å; D41-D43 PolarHBondContact OD1-N 2.89Å; D41-R44 HydrophobicContact CB-CB 3.92Å; D41-R44 PolarHBondContact OD1-N 2.98Å; D41-R44 WeakPolarHBondContact OD2-CB 3.25Å; D41-R44 IonicContact OD2-CZ 3.67Å; D41-R44 IonicContact OD2-NH1 3.69Å; D41-R44 PolarHBondContact OD2-NH1 2.71Å; D41-F45 PolarHBondContact O-N 3.26Å; D41-F45 VanDerWaalsContact O-N 3.15Å
42Q97.2Very high96.2Very high82 Ų8291.1 Ų91.138%0.38347%0.466SS..Hα-helixtrans-65-44-174.9-175.465.927.200111.6W40 R44 F45 E46W40-Q42 VanDerWaalsContact CZ2-OE1 3.27Å; Q42-R44 VanDerWaalsContact C-N 3.3Å; Q42-R44 PolarHBondContact O-N 3.17Å; Q42-F45 WeakPolarHBondContact O-CB 3.28Å; Q42-F45 PolarHBondContact O-N 2.79Å; Q42-F45 VanDerWaalsContact O-N 3.16Å; Q42-E46 HydrophobicContact CG-CG 4.45Å; Q42-E46 WeakPolarHBondContact CG-OE1 3.26Å; Q42-E46 PolarHBondContact NE2-OE1 3Å; Q42-E46 WeakPolarHBondContact O-CG 3.49Å; Q42-E46 PolarHBondContact O-N 3.19Å
43D97.9Very high96.4Very high122 Ų12291.2 Ų91.265%0.65247%0.47SS*.Hα-helixtrans-66-38-176.8-65.5-23.1000110.5D41 K47D41-D43 PolarHBondContact OD1-N 2.89Å; D43-K47 WeakPolarHBondContact O-CB 3.19Å; D43-K47 PolarHBondContact O-N 3.31Å
44R96.9Very high96.5Very high90 Ų9093.4 Ų93.434%0.3449%0.486SS..Hα-helixtrans-64.5-41174.6-174.7172.170.1-126.910.7111.9A39 D41 Q42 N48A39-R44 PolarHBondContact O-NH2 3.28Å; D41-R44 HydrophobicContact CB-CB 3.92Å; D41-R44 PolarHBondContact OD1-N 2.98Å; D41-R44 WeakPolarHBondContact OD2-CB 3.25Å; D41-R44 IonicContact OD2-CZ 3.67Å; D41-R44 IonicContact OD2-NH1 3.69Å; D41-R44 PolarHBondContact OD2-NH1 2.71Å; Q42-R44 VanDerWaalsContact C-N 3.3Å; Q42-R44 PolarHBondContact O-N 3.17Å; R44-N48 WeakPolarHBondContact O-CB 3.38Å; R44-N48 VanDerWaalsContact O-CG 3.25Å; R44-N48 PolarHBondContact O-N 3.39Å; R44-N48 PolarHBondContact O-ND2 2.95Å
45F97.4Very high96.8Very high56 Ų5692.1 Ų92.125%0.24647%0.467CS..Hα-helixtrans-64.1-52.1175.8173.5-102.6000111.2W40 D41 Q42 K47 N48 F49 G67W40-F45 HydrophobicContact CH2-CB 4.26Å; W40-F45 HydrophobicContact CH2-CD1 4.42Å; W40-F45 HydrophobicContact CH2-CD2 4.42Å; W40-F45 HydrophobicContact CH2-CG 4.1Å; D41-F45 PolarHBondContact O-N 3.26Å; D41-F45 VanDerWaalsContact O-N 3.15Å; Q42-F45 WeakPolarHBondContact O-CB 3.28Å; Q42-F45 PolarHBondContact O-N 2.79Å; Q42-F45 VanDerWaalsContact O-N 3.16Å; F45-K47 VanDerWaalsContact C-N 3.29Å; F45-K47 PolarHBondContact O-N 3.47Å; F45-N48 PolarHBondContact O-N 3.18Å; F45-N48 VanDerWaalsContact O-N 3.17Å; F45-F49 HydrophobicContact CE1-CB 4.47Å; F45-F49 HydrophobicContact CE2-CB 4.33Å; F45-F49 HydrophobicContact CE2-CD2 4.35Å; F45-F49 HydrophobicContact CZ-CB 4.2Å; F45-F49 HydrophobicContact CZ-CD2 4.14Å; F45-F49 HydrophobicContact CZ-CG 4.14Å; F45-F49 VanDerWaalsContact O-CB 3.32Å; F45-F49 WeakPolarHBondContact O-CB 3.3Å; F45-F49 PolarHBondContact O-N 3.33Å; F45-G67 WeakPolarHBondContact CE2-O 3.28Å
46E97.5Very high97.1Very high119 Ų11993.3 Ų93.356%0.55645%0.45SS*.Hα-helixtrans-61.5-35.7-178.5-71.9-178.9-171.600112.9Q42Q42-E46 HydrophobicContact CG-CG 4.45Å; Q42-E46 WeakPolarHBondContact CG-OE1 3.26Å; Q42-E46 PolarHBondContact NE2-OE1 3Å; Q42-E46 WeakPolarHBondContact O-CG 3.49Å; Q42-E46 PolarHBondContact O-N 3.19Å
47K97.8Very high97.1Very high178 Ų17892.4 Ų92.477%0.77445%0.452SS*.Hα-helixtrans-68.1-37.5176.9-178.5179.6177.1-177.40113.1D43 F45D43-K47 WeakPolarHBondContact O-CB 3.19Å; D43-K47 PolarHBondContact O-N 3.31Å; F45-K47 VanDerWaalsContact C-N 3.29Å; F45-K47 PolarHBondContact O-N 3.47Å
48N97.2Very high97.1Very high91 Ų9195 Ų9549%0.48746%0.46SS..Hα-helixtrans-88.9-28.2-174.4-68.9-16.1000112.5R44 F45 R50R44-N48 WeakPolarHBondContact O-CB 3.38Å; R44-N48 VanDerWaalsContact O-CG 3.25Å; R44-N48 PolarHBondContact O-N 3.39Å; R44-N48 PolarHBondContact O-ND2 2.95Å; F45-N48 PolarHBondContact O-N 3.18Å; F45-N48 VanDerWaalsContact O-N 3.17Å; N48-R50 PolarHBondContact O-N 3.09Å
49F98.3Very high97.2Very high68 Ų6896.8 Ų96.830%0.29847%0.47SS..  trans-69.4129-177.5-177.9-104.6000111.4F45 V51 M65 V66 I68F45-F49 HydrophobicContact CE1-CB 4.47Å; F45-F49 HydrophobicContact CE2-CB 4.33Å; F45-F49 HydrophobicContact CE2-CD2 4.35Å; F45-F49 HydrophobicContact CZ-CB 4.2Å; F45-F49 HydrophobicContact CZ-CD2 4.14Å; F45-F49 HydrophobicContact CZ-CG 4.14Å; F45-F49 VanDerWaalsContact O-CB 3.32Å; F45-F49 WeakPolarHBondContact O-CB 3.3Å; F45-F49 PolarHBondContact O-N 3.33Å; F49-V51 HydrophobicContact CE1-CG2 3.79Å; F49-V51 HydrophobicContact CE2-CG2 4.4Å; F49-V51 HydrophobicContact CZ-CG2 3.54Å; F49-M65 HydrophobicContact CE2-CE 3.91Å; F49-M65 HydrophobicContact CZ-CE 3.87Å; F49-V66 WeakPolarHBondContact CA-O 3.32Å; F49-V66 VanDerWaalsContact CD2-O 3.28Å; F49-V66 WeakPolarHBondContact CD2-O 3.48Å; F49-I68 HydrophobicContact CD2-CB 4.36Å; F49-I68 HydrophobicContact CE2-CB 4.19Å; F49-I68 HydrophobicContact CE2-CD1 4.39Å
50R98.1Very high97.2Very high123 Ų12396.5 Ų96.546%0.46446%0.464SS..EExtended strand (participates in β ladder)trans-149.8154.2173.262.8-175.7-172.198.311.8111.1N48 D52 V66N48-R50 PolarHBondContact O-N 3.09Å; R50-D52 IonicContact CZ-OD2 3.17Å; R50-D52 VanDerWaalsContact NH1-CG 3.28Å; R50-D52 IonicContact NH1-OD1 3.07Å; R50-D52 PolarHBondContact NH1-OD1 3.18Å; R50-D52 IonicContact NH1-OD2 3.68Å; R50-D52 PolarHBondContact NH1-OD2 3.3Å; R50-D52 IonicContact NH2-OD2 3.38Å; R50-V66 HydrophobicContact CG-CB 3.82Å; R50-V66 HydrophobicContact CG-CG1 4.48Å; R50-V66 HydrophobicContact CG-CG2 4.26Å; R50-V66 PolarHBondContact N-O 3.17Å; R50-V66 PolarHBondContact O-N 3.48Å
51V98.4Very high97.3Very high71 Ų7188 Ų8843%0.4343%0.433SS..EExtended strand (participates in β ladder)trans-124.6124179.1177.30000109F49 F63 D64F49-V51 HydrophobicContact CE1-CG2 3.79Å; F49-V51 HydrophobicContact CE2-CG2 4.4Å; F49-V51 HydrophobicContact CZ-CG2 3.54Å; V51-F63 HydrophobicContact CG1-CD2 3.95Å; V51-D64 VanDerWaalsContact CA-O 3.25Å; V51-D64 WeakPolarHBondContact CA-O 3.26Å
52D98.3Very high97.3Very high59 Ų5987.2 Ų87.232%0.31643%0.427SS..EExtended strand (participates in β ladder)trans-116.5116.6176.2-50.4-47.3000109.3R50 F63 D64R50-D52 IonicContact CZ-OD2 3.17Å; R50-D52 VanDerWaalsContact NH1-CG 3.28Å; R50-D52 IonicContact NH1-OD1 3.07Å; R50-D52 PolarHBondContact NH1-OD1 3.18Å; R50-D52 IonicContact NH1-OD2 3.68Å; R50-D52 PolarHBondContact NH1-OD2 3.3Å; R50-D52 IonicContact NH2-OD2 3.38Å; D52-F63 CarbonylContact O-C 3.45Å; D52-F63 VanDerWaalsContact O-CA 3.32Å; D52-F63 WeakPolarHBondContact O-CA 3.45Å; D52-D64 HydrophobicContact CB-CB 4.23Å; D52-D64 PolarHBondContact N-O 3.38Å; D52-D64 PolarHBondContact O-N 2.78Å
53V98.3Very high97.4Very high94 Ų9483.9 Ų83.957%0.5741%0.411SS*.EExtended strand (participates in β ladder)trans-82.5119.2173.9-178.50000108.6M56 L61 F63V53-M56 HydrophobicContact CG1-CB 4.46Å; V53-L61 HydrophobicContact CG1-CD1 3.84Å; V53-F63 HydrophobicContact CG2-CB 4.24Å
54V97.3Very high97.4Very high78 Ų7878.5 Ų78.547%0.47338%0.382SS..EExtended strand (participates in β ladder)trans-97.4-41-174.6179.30000111.2E62V54-E62 PolarHBondContact N-O 3.38Å
55H97.1Very high97.5Very high91 Ų9174.7 Ų74.742%0.42137%0.368SS..EExtended strand (participates in β ladder)trans-146.8138.8179.9179.6-92.3000110.4D57 E62H55-D57 IonicContact CE1-OD2 3.95Å; H55-D57 PolarHBondContact CE1-OD2 2.71Å; H55-E62 HydrophobicContact CB-CB 4.13Å; H55-E62 PolarHBondContact N-O 2.87Å; H55-E62 VanDerWaalsContact N-O 3.1Å; H55-E62 PolarHBondContact O-N 2.74Å
56M96.7Very high97.5Very high113 Ų11372.9 Ų72.956%0.55736%0.362SS*.EExtended strand (participates in β ladder)trans-145.6127.1172.5-171.2174.375.300109.1V53 T60 L61V53-M56 HydrophobicContact CG1-CB 4.46Å; M56-T60 WeakPolarHBondContact CA-O 3.44Å; M56-L61 HydrophobicContact CB-CD1 3.93Å; M56-L61 HydrophobicContact CG-CD1 3.84Å; M56-L61 HydrophobicContact SD-CD1 3.99Å
57D95.2Very high97.5Very high73 Ų7368.1 Ų68.139%0.3935%0.345SS..  trans-121.3-169.916868.941.7000109.7H55 N59 T60H55-D57 IonicContact CE1-OD2 3.95Å; H55-D57 PolarHBondContact CE1-OD2 2.71Å; D57-N59 VanDerWaalsContact C-N 3.29Å; D57-N59 PolarHBondContact O-N 3.14Å; D57-N59 PolarHBondContact OD1-N 2.97Å; D57-T60 VanDerWaalsContact CG-CB 3.47Å; D57-T60 PolarHBondContact N-O 2.99Å; D57-T60 WeakPolarHBondContact OD1-CA 3.14Å; D57-T60 WeakPolarHBondContact OD1-CB 3.34Å; D57-T60 PolarHBondContact OD1-N 2.84Å; D57-T60 PolarHBondContact OD1-OG1 3.48Å; D57-T60 VanDerWaalsContact OD1-OG1 3.09Å; D57-T60 VanDerWaalsContact OD2-CB 3.27Å; D57-T60 WeakPolarHBondContact OD2-CB 3.47Å; D57-T60 PolarHBondContact OD2-OG1 3.04Å
58E93.9Very high97.5Very high172 Ų17260 Ų6080%0.80431%0.31SS*.SBendtrans-59.3-36.3-177-65-174.7167.700113.6
59N96.4Very high97.5Very high61 Ų6158 Ų5833%0.32630%0.299SS..SBendtrans-121.3-8.7-174.1-66.8-50.7000113.4D57 E311 S312 G314D57-N59 VanDerWaalsContact C-N 3.29Å; D57-N59 PolarHBondContact O-N 3.14Å; D57-N59 PolarHBondContact OD1-N 2.97Å; N59-E311 CarbonylContact O-C 3.57Å; N59-E311 WeakPolarHBondContact O-CA 3.27Å; N59-S312 WeakPolarHBondContact O-CB 3.36Å; N59-S312 PolarHBondContact O-N 2.83Å; N59-G314 WeakPolarHBondContact OD1-CA 3.38Å
60T97.4Very high97.3Very high34 Ų3456.3 Ų56.321%0.20930%0.298CS..EExtended strand (participates in β ladder)trans-124.9136.7-171.4-43.90000110.6M56 D57 V310 E311M56-T60 WeakPolarHBondContact CA-O 3.44Å; D57-T60 VanDerWaalsContact CG-CB 3.47Å; D57-T60 PolarHBondContact N-O 2.99Å; D57-T60 WeakPolarHBondContact OD1-CA 3.14Å; D57-T60 WeakPolarHBondContact OD1-CB 3.34Å; D57-T60 PolarHBondContact OD1-N 2.84Å; D57-T60 PolarHBondContact OD1-OG1 3.48Å; D57-T60 VanDerWaalsContact OD1-OG1 3.09Å; D57-T60 VanDerWaalsContact OD2-CB 3.27Å; D57-T60 WeakPolarHBondContact OD2-CB 3.47Å; D57-T60 PolarHBondContact OD2-OG1 3.04Å; T60-V310 WeakPolarHBondContact CA-O 3.33Å; T60-E311 HydrophobicContact CG2-CG 3.94Å
61L98.4Very high97.3Very high11 Ų1153.7 Ų53.76%0.05830%0.302CS..EExtended strand (participates in β ladder)trans-132.6122.1174.3178.266.5000109.9V53 M56 F63 S309 V310 P318 V322V53-L61 HydrophobicContact CG1-CD1 3.84Å; M56-L61 HydrophobicContact CB-CD1 3.93Å; M56-L61 HydrophobicContact CG-CD1 3.84Å; M56-L61 HydrophobicContact SD-CD1 3.99Å; L61-F63 HydrophobicContact CD2-CD1 3.93Å; L61-F63 HydrophobicContact CD2-CE1 4.14Å; L61-F63 HydrophobicContact CG-CD1 3.85Å; L61-F63 HydrophobicContact CG-CE1 4.45Å; L61-S309 WeakPolarHBondContact O-CA 3.5Å; L61-V310 PolarHBondContact N-O 3.13Å; L61-V310 PolarHBondContact O-N 3.05Å; L61-P318 HydrophobicContact CB-CB 3.76Å; L61-P318 HydrophobicContact CB-CG 3.8Å; L61-V322 HydrophobicContact CD2-CG2 4.15Å
62E98.5Very high97.3Very high45 Ų4553.6 Ų53.621%0.2130%0.299CS..EExtended strand (participates in β ladder)trans-113.8122.2169.2-168.6-176.1150.100109.8V54 H55 R279 I307 F308V54-E62 PolarHBondContact N-O 3.38Å; H55-E62 HydrophobicContact CB-CB 4.13Å; H55-E62 PolarHBondContact N-O 2.87Å; H55-E62 VanDerWaalsContact N-O 3.1Å; H55-E62 PolarHBondContact O-N 2.74Å; E62-R279 IonicContact OE1-CZ 2.87Å; E62-R279 IonicContact OE1-NE 3.89Å; E62-R279 PolarHBondContact OE1-NE 2.85Å; E62-R279 IonicContact OE1-NH2 3.61Å; E62-R279 PolarHBondContact OE1-NH2 3.32Å; E62-I307 HydrophobicContact CG-CG2 4.01Å; E62-I307 WeakPolarHBondContact OE1-CG2 3.28Å; E62-F308 VanDerWaalsContact CA-O 3.32Å; E62-F308 WeakPolarHBondContact CA-O 3.24Å; E62-F308 WeakPolarHBondContact CG-O 3.44Å
63F98.5Very high97.2Very high12 Ų1250.8 Ų50.85%0.05328%0.284CS..EExtended strand (participates in β ladder)trans-146.7157.5-178.969.7-79.9000111.8V51 D52 V53 L61 M65 F308 V310 V322V51-F63 HydrophobicContact CG1-CD2 3.95Å; D52-F63 CarbonylContact O-C 3.45Å; D52-F63 VanDerWaalsContact O-CA 3.32Å; D52-F63 WeakPolarHBondContact O-CA 3.45Å; V53-F63 HydrophobicContact CG2-CB 4.24Å; L61-F63 HydrophobicContact CD2-CD1 3.93Å; L61-F63 HydrophobicContact CD2-CE1 4.14Å; L61-F63 HydrophobicContact CG-CD1 3.85Å; L61-F63 HydrophobicContact CG-CE1 4.45Å; F63-M65 HydrophobicContact CD2-CG 3.9Å; F63-M65 HydrophobicContact CE2-CG 3.49Å; F63-M65 VanDerWaalsContact CE2-CG 3.49Å; F63-M65 HydrophobicContact CE2-SD 3.75Å; F63-M65 HydrophobicContact CZ-SD 4.39Å; F63-F308 HydrophobicContact CD1-CB 3.81Å; F63-F308 HydrophobicContact CD2-CB 4.42Å; F63-F308 HydrophobicContact CE1-CB 3.44Å; F63-F308 VanDerWaalsContact CE1-CB 3.44Å; F63-F308 HydrophobicContact CE1-CD1 4.5Å; F63-F308 HydrophobicContact CE1-CG 4.14Å; F63-F308 HydrophobicContact CE2-CB 4.1Å; F63-F308 HydrophobicContact CE2-CD2 4.46Å; F63-F308 HydrophobicContact CE2-CG 4.28Å; F63-F308 HydrophobicContact CG-CB 4.31Å; F63-F308 HydrophobicContact CZ-CB 3.61Å; F63-F308 HydrophobicContact CZ-CD1 4.18Å; F63-F308 HydrophobicContact CZ-CD2 4.41Å; F63-F308 AromaticContact CZ-CG 3.82Å; F63-F308 HydrophobicContact CZ-CG 3.82Å; F63-F308 PolarHBondContact N-O 2.8Å; F63-F308 VanDerWaalsContact N-O 3.17Å; F63-F308 PolarHBondContact O-N 2.8Å; F63-V310 HydrophobicContact CE1-CG2 4.2Å; F63-V322 HydrophobicContact CE1-CG2 3.98Å; F63-V322 HydrophobicContact CZ-CG1 4.06Å; F63-V322 HydrophobicContact CZ-CG2 4.15Å
64D98.5Very high97.2Very high9 Ų948.6 Ų48.65%0.04827%0.269CS..EExtended strand (participates in β ladder)trans-101.2139.9178.8-69.3-6.2000111V51 D52 R279 H305 Y306V51-D64 VanDerWaalsContact CA-O 3.25Å; V51-D64 WeakPolarHBondContact CA-O 3.26Å; D52-D64 HydrophobicContact CB-CB 4.23Å; D52-D64 PolarHBondContact N-O 3.38Å; D52-D64 PolarHBondContact O-N 2.78Å; D64-R279 IonicContact OD1-CZ 3.25Å; D64-R279 IonicContact OD1-NH1 2.84Å; D64-R279 PolarHBondContact OD1-NH1 3.23Å; D64-R279 IonicContact OD1-NH2 3.74Å; D64-R279 PolarHBondContact OD1-NH2 2.88Å; D64-R279 IonicContact OD2-CZ 2.83Å; D64-R279 IonicContact OD2-NH1 3.38Å; D64-R279 PolarHBondContact OD2-NH1 2.87Å; D64-R279 IonicContact OD2-NH2 4Å; D64-H305 IonicContact OD1-NE2 3.53Å; D64-H305 IonicContact OD2-CD2 3.93Å; D64-H305 IonicContact OD2-CE1 2.59Å; D64-H305 IonicContact OD2-NE2 3.96Å; D64-H305 PolarHBondContact OD2-NE2 3.36Å; D64-Y306 CarbonylContact C-O 3.53Å; D64-Y306 VanDerWaalsContact CA-O 3.24Å; D64-Y306 WeakPolarHBondContact CA-O 3.2Å
65M98.2Very high97.3Very high10 Ų1046 Ų465%0.04926%0.256CS..EExtended strand (participates in β ladder)trans-119.4113.7166.8-60.6-175.274.900108.4F49 F63 I68 F76 Y306 F308F49-M65 HydrophobicContact CE2-CE 3.91Å; F49-M65 HydrophobicContact CZ-CE 3.87Å; F63-M65 HydrophobicContact CD2-CG 3.9Å; F63-M65 HydrophobicContact CE2-CG 3.49Å; F63-M65 VanDerWaalsContact CE2-CG 3.49Å; F63-M65 HydrophobicContact CE2-SD 3.75Å; F63-M65 HydrophobicContact CZ-SD 4.39Å; M65-I68 HydrophobicContact CB-CG2 3.93Å; M65-I68 HydrophobicContact CE-CD1 3.68Å; M65-I68 HydrophobicContact CE-CG2 4.44Å; M65-F76 HydrophobicContact CE-CD2 4.12Å; M65-F76 HydrophobicContact CE-CE2 3.86Å; M65-F76 HydrophobicContact SD-CD2 4.39Å; M65-Y306 PolarHBondContact N-O 3.06Å; M65-Y306 PolarHBondContact O-N 3.06Å; M65-F308 HydrophobicContact CG-CD2 4.13Å; M65-F308 HydrophobicContact CG-CE2 4.3Å; M65-F308 HydrophobicContact SD-CD2 3.9Å; M65-F308 HydrophobicContact SD-CE2 3.62Å; M65-F308 HydrophobicContact SD-CZ 4.19Å
66V98.4Very high97.3Very high18 Ų1843 Ų4311%0.10924%0.241CC..EExtended strand (participates in β ladder)trans-109.5136.4-179.3-174.90000109.4F49 R50 D304 H305F49-V66 WeakPolarHBondContact CA-O 3.32Å; F49-V66 VanDerWaalsContact CD2-O 3.28Å; F49-V66 WeakPolarHBondContact CD2-O 3.48Å; R50-V66 HydrophobicContact CG-CB 3.82Å; R50-V66 HydrophobicContact CG-CG1 4.48Å; R50-V66 HydrophobicContact CG-CG2 4.26Å; R50-V66 PolarHBondContact N-O 3.17Å; R50-V66 PolarHBondContact O-N 3.48Å; V66-D304 CarbonylContact C-O 3.54Å; V66-D304 VanDerWaalsContact CA-O 3.26Å; V66-D304 WeakPolarHBondContact CA-O 3.46Å; V66-H305 HydrophobicContact CG2-CB 4.47Å
67G96.8Very high97.4Very high19 Ų1940.8 Ų40.820%0.19623%0.227CC..SBendtrans85.812.6176.400000115.1F45 D304F45-G67 WeakPolarHBondContact CE2-O 3.28Å; G67-D304 PolarHBondContact N-O 3.22Å
68I96.9Very high97.6Very high9 Ų944.9 Ų44.95%0.04624%0.237CC..  trans-104.1158.4174.2-162.1166.6000110.4F49 M65 I72 A73 F76 Y306F49-I68 HydrophobicContact CD2-CB 4.36Å; F49-I68 HydrophobicContact CE2-CB 4.19Å; F49-I68 HydrophobicContact CE2-CD1 4.39Å; M65-I68 HydrophobicContact CB-CG2 3.93Å; M65-I68 HydrophobicContact CE-CD1 3.68Å; M65-I68 HydrophobicContact CE-CG2 4.44Å; I68-I72 HydrophobicContact CD1-CB 3.85Å; I68-I72 HydrophobicContact CD1-CG2 3.68Å; I68-I72 HydrophobicContact CG1-CB 3.98Å; I68-I72 HydrophobicContact CG1-CD1 4.46Å; I68-I72 HydrophobicContact CG1-CG2 4.34Å; I68-A73 HydrophobicContact CG2-CB 4.44Å; I68-F76 HydrophobicContact CD1-CE2 3.87Å; I68-Y306 HydrophobicContact CG2-CD2 3.57Å; I68-Y306 HydrophobicContact CG2-CE2 3.8Å; I68-Y306 VanDerWaalsContact O-CE2 3.31Å; I68-Y306 WeakPolarHBondContact O-CE2 3.34Å
69D97.1Very high97.8Very high49 Ų4936.9 Ų36.926%0.26220%0.199SC..  trans-93.2159173.2178.665.6000112.5T26 A71 I72 A73T26-D69 VanDerWaalsContact CG2-OD1 3.25Å; T26-D69 WeakPolarHBondContact CG2-OD1 3.46Å; T26-D69 PolarHBondContact OG1-OD1 2.86Å; D69-A71 PolarHBondContact O-N 3.05Å; D69-A71 VanDerWaalsContact OD2-CB 3.27Å; D69-A71 WeakPolarHBondContact OD2-CB 3.43Å; D69-A71 PolarHBondContact OD2-N 3.02Å; D69-I72 PolarHBondContact O-N 3.16Å; D69-A73 PolarHBondContact O-N 3.47Å; D69-A73 VanDerWaalsContact O-N 3.12Å
70A95.9Very high97.9Very high32 Ų3234 Ų3426%0.26418%0.184SC..Hα-helixtrans-56-33.617900000112.9I72 N74 Y306A70-I72 PolarHBondContact O-N 2.94Å; A70-N74 WeakPolarHBondContact O-CB 3.28Å; A70-N74 PolarHBondContact O-N 2.84Å; A70-Y306 WeakPolarHBondContact CA-OH 3.49Å; A70-Y306 WeakPolarHBondContact CB-OH 3.3Å; A70-Y306 PolarHBondContact N-OH 3.34Å
71A96.9Very high97.9Very high67 Ų6735 Ų3555%0.55419%0.188SC*.Hα-helixtrans-61-45.8-179.400000112D69 A75D69-A71 PolarHBondContact O-N 3.05Å; D69-A71 VanDerWaalsContact OD2-CB 3.27Å; D69-A71 WeakPolarHBondContact OD2-CB 3.43Å; D69-A71 PolarHBondContact OD2-N 3.02Å; A71-A75 PolarHBondContact O-N 3.07Å; A71-A75 VanDerWaalsContact O-N 3.08Å
72I97.7Very high97.9Very high70 Ų7035.7 Ų35.736%0.35920%0.195SC..Hα-helixtrans-79.1-42.5-178.3-53.2176.4000110.4I68 D69 A70 N74 A75 F76 L329I68-I72 HydrophobicContact CD1-CB 3.85Å; I68-I72 HydrophobicContact CD1-CG2 3.68Å; I68-I72 HydrophobicContact CG1-CB 3.98Å; I68-I72 HydrophobicContact CG1-CD1 4.46Å; I68-I72 HydrophobicContact CG1-CG2 4.34Å; D69-I72 PolarHBondContact O-N 3.16Å; A70-I72 PolarHBondContact O-N 2.94Å; I72-N74 VanDerWaalsContact C-N 3.29Å; I72-N74 PolarHBondContact O-N 2.91Å; I72-A75 WeakPolarHBondContact O-CA 3.38Å; I72-A75 WeakPolarHBondContact O-CB 3.46Å; I72-A75 PolarHBondContact O-N 3.24Å; I72-F76 HydrophobicContact CG2-CD2 4.33Å; I72-F76 HydrophobicContact CG2-CE1 4.33Å; I72-F76 HydrophobicContact CG2-CE2 3.62Å; I72-F76 HydrophobicContact CG2-CZ 3.61Å; I72-F76 PolarHBondContact O-N 3.24Å; I72-L329 HydrophobicContact CG2-CD2 4.46Å
73A97.8Very high97.9Very high0 Ų035 Ų350%019%0.191CC..Hα-helixtrans-55.8-44.517400000111.6I68 D69 A75 F76 R77 Y306 F308I68-A73 HydrophobicContact CG2-CB 4.44Å; D69-A73 PolarHBondContact O-N 3.47Å; D69-A73 VanDerWaalsContact O-N 3.12Å; A73-A75 VanDerWaalsContact C-N 3.34Å; A73-A75 PolarHBondContact O-N 3.03Å; A73-F76 PolarHBondContact O-N 3.38Å; A73-R77 PolarHBondContact O-N 3.31Å; A73-R77 VanDerWaalsContact O-N 3.14Å; A73-Y306 HydrophobicContact CB-CD1 4.38Å; A73-Y306 HydrophobicContact CB-CD2 4.17Å; A73-Y306 HydrophobicContact CB-CE1 4.46Å; A73-Y306 HydrophobicContact CB-CE2 4.23Å; A73-Y306 HydrophobicContact CB-CG 4.24Å; A73-F308 HydrophobicContact CB-CE2 3.99Å; A73-F308 HydrophobicContact CB-CZ 3.86Å; A73-F308 WeakPolarHBondContact O-CZ 3.43Å
74N98.2Very high97.8Very high48 Ų4834.5 Ų34.526%0.25719%0.189SC..Hα-helixtrans-69.1-30.6175.9-16935000112.9A70 I72 R77 R78 Y233A70-N74 WeakPolarHBondContact O-CB 3.28Å; A70-N74 PolarHBondContact O-N 2.84Å; I72-N74 VanDerWaalsContact C-N 3.29Å; I72-N74 PolarHBondContact O-N 2.91Å; N74-R77 PolarHBondContact O-N 3.15Å; N74-R77 PolarHBondContact OD1-NE 3.45Å; N74-R77 PolarHBondContact OD1-NH2 3.43Å; N74-R78 WeakPolarHBondContact O-CB 3.31Å; N74-R78 WeakPolarHBondContact O-CG 3.46Å; N74-R78 PolarHBondContact O-N 3.34Å; N74-Y233 HydrophobicContact CB-CE1 4.28Å
75A98.5Very high97.8Very high24 Ų2435.1 Ų35.120%0.19819%0.194CC..Hα-helixtrans-61.4-47.1172.800000111.1A71 I72 A73 R77 R78 I79 L329A71-A75 PolarHBondContact O-N 3.07Å; A71-A75 VanDerWaalsContact O-N 3.08Å; I72-A75 WeakPolarHBondContact O-CA 3.38Å; I72-A75 WeakPolarHBondContact O-CB 3.46Å; I72-A75 PolarHBondContact O-N 3.24Å; A73-A75 VanDerWaalsContact C-N 3.34Å; A73-A75 PolarHBondContact O-N 3.03Å; A75-R77 PolarHBondContact O-N 3.14Å; A75-R78 PolarHBondContact O-N 3.32Å; A75-I79 WeakPolarHBondContact O-CG1 3.49Å; A75-I79 PolarHBondContact O-N 3.29Å; A75-L329 HydrophobicContact CB-CD2 4.23Å
76F98.3Very high97.9Very high26 Ų2634.8 Ų34.811%0.11419%0.193CC..Hα-helixtrans-59.5-46.7175.7-61.4-38.9000112.1M65 I68 I72 A73 R78 I79 L80 I326 L329M65-F76 HydrophobicContact CE-CD2 4.12Å; M65-F76 HydrophobicContact CE-CE2 3.86Å; M65-F76 HydrophobicContact SD-CD2 4.39Å; I68-F76 HydrophobicContact CD1-CE2 3.87Å; I72-F76 HydrophobicContact CG2-CD2 4.33Å; I72-F76 HydrophobicContact CG2-CE1 4.33Å; I72-F76 HydrophobicContact CG2-CE2 3.62Å; I72-F76 HydrophobicContact CG2-CZ 3.61Å; I72-F76 PolarHBondContact O-N 3.24Å; A73-F76 PolarHBondContact O-N 3.38Å; F76-R78 VanDerWaalsContact C-N 3.31Å; F76-R78 PolarHBondContact O-N 2.74Å; F76-I79 PolarHBondContact O-N 3.46Å; F76-L80 WeakPolarHBondContact O-CG 3.49Å; F76-L80 PolarHBondContact O-N 3.44Å; F76-I326 HydrophobicContact CD1-CG1 4.07Å; F76-I326 HydrophobicContact CE1-CB 4.32Å; F76-I326 HydrophobicContact CE1-CG1 3.71Å; F76-I326 HydrophobicContact CZ-CG1 4.04Å; F76-L329 HydrophobicContact CD1-CD2 4.25Å; F76-L329 HydrophobicContact CE1-CB 4.5Å; F76-L329 HydrophobicContact CE1-CD2 3.68Å; F76-L329 HydrophobicContact CZ-CD2 4.38Å
77R98.4Very high97.9Very high68 Ų6834 Ų3426%0.25719%0.188SC..Hα-helixtrans-56.5-43.7175.5-169.7-164.563.981.73.2112.3A73 N74 A75 L81 A231 Y233 F308A73-R77 PolarHBondContact O-N 3.31Å; A73-R77 VanDerWaalsContact O-N 3.14Å; N74-R77 PolarHBondContact O-N 3.15Å; N74-R77 PolarHBondContact OD1-NE 3.45Å; N74-R77 PolarHBondContact OD1-NH2 3.43Å; A75-R77 PolarHBondContact O-N 3.14Å; R77-L81 HydrophobicContact CG-CD1 4.34Å; R77-L81 WeakPolarHBondContact O-CG 3.26Å; R77-L81 PolarHBondContact O-N 2.73Å; R77-A231 VanDerWaalsContact CG-O 3.26Å; R77-A231 WeakPolarHBondContact CG-O 3.26Å; R77-Y233 HydrophobicContact CB-CD1 4.23Å; R77-Y233 HydrophobicContact CB-CE1 4.18Å; R77-Y233 HydrophobicContact CG-CD1 4.41Å; R77-F308 HydrophobicContact CB-CE1 4.45Å
78R98.3Very high97.9Very high158 Ų15833.2 Ų33.260%0.59618%0.18SC*.Hα-helixtrans-67.8-38.7179.6-72.2170.467.9109.65.5112.4N74 A75 F76 L81 A82N74-R78 WeakPolarHBondContact O-CB 3.31Å; N74-R78 WeakPolarHBondContact O-CG 3.46Å; N74-R78 PolarHBondContact O-N 3.34Å; A75-R78 PolarHBondContact O-N 3.32Å; F76-R78 VanDerWaalsContact C-N 3.31Å; F76-R78 PolarHBondContact O-N 2.74Å; R78-L81 PolarHBondContact O-N 3.1Å; R78-A82 WeakPolarHBondContact O-CB 3.28Å; R78-A82 PolarHBondContact O-N 3.08Å; R78-A82 VanDerWaalsContact O-N 3.09Å
79I98.6Very high98Very high4 Ų432.9 Ų32.92%0.02118%0.178CC..Hα-helixtrans-66.8-45178.4-70.7169.1000110.4A75 F76 L81 A82 E83 V84 A325 I328 L329A75-I79 WeakPolarHBondContact O-CG1 3.49Å; A75-I79 PolarHBondContact O-N 3.29Å; F76-I79 PolarHBondContact O-N 3.46Å; I79-L81 VanDerWaalsContact C-N 3.25Å; I79-L81 PolarHBondContact O-N 3.37Å; I79-A82 PolarHBondContact O-N 2.81Å; I79-E83 HydrophobicContact CG2-CB 4.16Å; I79-E83 PolarHBondContact O-N 2.76Å; I79-V84 HydrophobicContact CG2-CG2 4.04Å; I79-V84 PolarHBondContact O-N 3.23Å; I79-A325 HydrophobicContact CB-CB 4.26Å; I79-A325 HydrophobicContact CG2-CB 3.67Å; I79-I328 HydrophobicContact CD1-CG2 4.35Å; I79-I328 HydrophobicContact CG1-CG2 4.5Å; I79-I328 HydrophobicContact CG2-CB 3.91Å; I79-I328 HydrophobicContact CG2-CD1 3.88Å; I79-I328 HydrophobicContact CG2-CG2 3.89Å; I79-L329 HydrophobicContact CD1-CB 3.66Å; I79-L329 HydrophobicContact CD1-CD1 4.17Å; I79-L329 HydrophobicContact CD1-CG 4.38Å
80L98.3Very high98Very high2 Ų235.3 Ų35.31%0.0119%0.188CC..Hα-helixtrans-55.1-40.7175.2-75.6167.5000112.5F76 V84 P227 A231 V310 L321 A325F76-L80 WeakPolarHBondContact O-CG 3.49Å; F76-L80 PolarHBondContact O-N 3.44Å; L80-V84 HydrophobicContact CD2-CG2 4.47Å; L80-P227 WeakPolarHBondContact O-CD 3.35Å; L80-A231 HydrophobicContact CB-CB 4.02Å; L80-A231 HydrophobicContact CD1-CB 4.07Å; L80-V310 HydrophobicContact CD1-CG1 4.48Å; L80-V310 HydrophobicContact CD1-CG2 3.94Å; L80-L321 HydrophobicContact CD2-CB 3.9Å; L80-L321 WeakPolarHBondContact CD2-O 3.29Å; L80-A325 HydrophobicContact CD2-CB 3.83Å; L80-A325 HydrophobicContact CG-CB 3.83Å
81L97.9Very high97.9Very high55 Ų5539.3 Ų39.329%0.28820%0.199SC..Hα-helixtrans-77-31.7-178.5-70.8167.8000114.1R77 R78 I79 V228 A231R77-L81 HydrophobicContact CG-CD1 4.34Å; R77-L81 WeakPolarHBondContact O-CG 3.26Å; R77-L81 PolarHBondContact O-N 2.73Å; R78-L81 PolarHBondContact O-N 3.1Å; I79-L81 VanDerWaalsContact C-N 3.25Å; I79-L81 PolarHBondContact O-N 3.37Å; L81-V228 HydrophobicContact CD2-CG2 3.69Å; L81-V228 HydrophobicContact CG-CG2 4.42Å; L81-A231 HydrophobicContact CD2-CB 4.44Å; L81-A231 HydrophobicContact CG-CB 4.44Å
82A97.8Very high98Very high24 Ų2437.8 Ų37.820%0.19818%0.183CC..Hα-helixtrans-131.4-15.4-162.500000115.5R78 I79 G219 K220R78-A82 WeakPolarHBondContact O-CB 3.28Å; R78-A82 PolarHBondContact O-N 3.08Å; R78-A82 VanDerWaalsContact O-N 3.09Å; I79-A82 PolarHBondContact O-N 2.81Å; A82-G219 CarbonylContact O-C 3.52Å; A82-G219 PolarHBondContact O-N 3.34Å; A82-K220 HydrophobicContact CB-CB 4.2Å; A82-K220 VanDerWaalsContact O-CB 3.31Å; A82-K220 WeakPolarHBondContact O-CB 3.47Å; A82-K220 PolarHBondContact O-N 3.4Å
83E98.1Very high98Very high30 Ų3038.1 Ų38.114%0.1419%0.185CC..THydrogen-bonded Turntrans-130-19.2-168.8-62.1-169.9-176.700114.8I79 P85 K220 I328 K332I79-E83 HydrophobicContact CG2-CB 4.16Å; I79-E83 PolarHBondContact O-N 2.76Å; E83-P85 WeakPolarHBondContact O-CD 3.24Å; E83-K220 IonicContact OE1-NZ 3.02Å; E83-K220 PolarHBondContact OE1-NZ 2.93Å; E83-I328 HydrophobicContact CB-CG2 4.37Å; E83-K332 IonicContact OE1-NZ 3.21Å; E83-K332 PolarHBondContact OE1-NZ 3.44Å; E83-K332 WeakPolarHBondContact OE2-CE 3.41Å; E83-K332 IonicContact OE2-NZ 3.82Å; E83-K332 PolarHBondContact OE2-NZ 3.26Å
84V98.3Very high98Very high2 Ų240.8 Ų40.81%0.01220%0.201CC..SBendtrans-67.1121.4166.9178.90000108.3I79 L80 P227 L321 A325 I328I79-V84 HydrophobicContact CG2-CG2 4.04Å; I79-V84 PolarHBondContact O-N 3.23Å; L80-V84 HydrophobicContact CD2-CG2 4.47Å; V84-P227 HydrophobicContact CB-CG 3.85Å; V84-P227 HydrophobicContact CG1-CG 3.85Å; V84-L321 HydrophobicContact CG1-CD2 4Å; V84-A325 HydrophobicContact CG2-CB 4.06Å; V84-I328 HydrophobicContact CB-CD1 4.32Å; V84-I328 HydrophobicContact CG2-CD1 3.81Å
85P98.3Very high97.9Very high23 Ų2345.8 Ų45.815%0.14922%0.218CC..EExtended strand (participates in β ladder)trans-80.7153.6-175.831.2-33.9000112.7E83 P119 Y124 K216 G217 I218E83-P85 WeakPolarHBondContact O-CD 3.24Å; P85-P119 VanDerWaalsContact O-CG 3.27Å; P85-P119 WeakPolarHBondContact O-CG 3.41Å; P85-Y124 WeakPolarHBondContact CB-OH 3.18Å; P85-K216 HydrophobicContact CB-CG 4.06Å; P85-G217 CarbonylContact C-O 3.41Å; P85-G217 WeakPolarHBondContact CA-O 3.49Å; P85-G217 VanDerWaalsContact CB-O 3.32Å; P85-G217 WeakPolarHBondContact CB-O 3.45Å; P85-I218 HydrophobicContact CB-CG2 4.08Å
86T98.5Very high97.8Very high3 Ų347.9 Ų47.92%0.01823%0.225CC..EExtended strand (participates in β ladder)trans-140.2170.917257.80000111.2K216 G217 F225 P227 V315T86-K216 WeakPolarHBondContact O-CA 3.45Å; T86-G217 PolarHBondContact N-O 3.07Å; T86-G217 PolarHBondContact O-N 2.81Å; T86-F225 VanDerWaalsContact OG1-C 3.22Å; T86-F225 WeakPolarHBondContact OG1-CA 3.38Å; T86-F225 PolarHBondContact OG1-O 3.28Å; T86-P227 HydrophobicContact CG2-CB 3.52Å; T86-P227 HydrophobicContact CG2-CG 4.25Å; T86-V315 HydrophobicContact CG2-CG1 4.11Å
87M98.4Very high97.8Very high2 Ų248.1 Ų48.11%0.0123%0.228CC..EExtended strand (participates in β ladder)trans-94125.5172.5-60.3-60-73.900110A117 P119 F122 L138 V215 K216M87-A117 HydrophobicContact CB-CB 4.18Å; M87-A117 HydrophobicContact CG-CB 3.92Å; M87-P119 HydrophobicContact CG-CB 4.37Å; M87-F122 HydrophobicContact CE-CB 4.11Å; M87-F122 HydrophobicContact CE-CD1 4.08Å; M87-F122 HydrophobicContact CE-CD2 4Å; M87-F122 HydrophobicContact CE-CG 3.78Å; M87-F122 HydrophobicContact CG-CD2 4.21Å; M87-F122 HydrophobicContact SD-CB 3.95Å; M87-F122 HydrophobicContact SD-CD2 3.91Å; M87-F122 HydrophobicContact SD-CG 3.99Å; M87-L138 HydrophobicContact CE-CD1 4.26Å; M87-L138 HydrophobicContact CE-CG 4.36Å; M87-V215 WeakPolarHBondContact CA-O 3.46Å; M87-K216 HydrophobicContact SD-CB 3.7Å; M87-K216 HydrophobicContact SD-CG 4.41Å
88A98.4Very high97.7Very high2 Ų247.7 Ų47.72%0.01723%0.233CC..EExtended strand (participates in β ladder)trans-144158174.800000111.8E90 C214 V215 K224 F225A88-E90 PolarHBondContact O-N 3.49Å; A88-C214 VanDerWaalsContact O-CA 3.23Å; A88-C214 WeakPolarHBondContact O-CA 3.35Å; A88-V215 PolarHBondContact N-O 3.34Å; A88-V215 VanDerWaalsContact N-O 3.11Å; A88-V215 PolarHBondContact O-N 2.96Å; A88-K224 HydrophobicContact CB-CD 4.24Å; A88-K224 HydrophobicContact CB-CG 4Å; A88-F225 HydrophobicContact CB-CD1 3.67Å; A88-F225 HydrophobicContact CB-CE1 3.58Å; A88-F225 HydrophobicContact CB-CZ 4.42Å
89V98.3Very high97.7Very high2 Ų241 Ų411%0.01221%0.21CC..EExtended strand (participates in β ladder)trans-67.2130.6178.9178.20000110.3V92 M212 C214 K224V89-V92 HydrophobicContact CG1-CG2 3.73Å; V89-M212 HydrophobicContact CG1-CB 3.86Å; V89-M212 HydrophobicContact CG1-CG 4.03Å; V89-M212 HydrophobicContact CG2-CB 4.08Å; V89-M212 HydrophobicContact CG2-CG 4.41Å; V89-M212 HydrophobicContact CG2-SD 4.24Å; V89-C214 VanDerWaalsContact CG2-SG 3.51Å; V89-K224 PolarHBondContact O-NZ 3.06Å
90E96.1Very high97.6Very high100 Ų10047 Ų4747%0.46724%0.241SC..EExtended strand (participates in β ladder)trans-120.3-40.3175.3-169.3175.8148.800113.4A88 H213 V215A88-E90 PolarHBondContact O-N 3.49Å; E90-H213 PolarHBondContact N-O 3.05Å; E90-V215 HydrophobicContact CB-CG2 3.9Å; E90-V215 WeakPolarHBondContact OE2-CG2 3.36Å
91K95.8Very high97.6Very high115 Ų11548.4 Ų48.450%0.525%0.25SC..EExtended strand (participates in β ladder)trans-110.1137.1176.1-57.9-64.5-178.51770110.1M212 H213K91-M212 CarbonylContact O-C 3.54Å; K91-M212 WeakPolarHBondContact O-CA 3.48Å; K91-H213 HydrophobicContact CB-CB 4.21Å; K91-H213 PolarHBondContact N-O 3.3Å; K91-H213 PolarHBondContact O-N 3.26Å
92V97.8Very high97.6Very high36 Ų3650.9 Ų50.922%0.21826%0.26CS..EExtended strand (participates in β ladder)trans-127.2113174.1-176.10000107.7V89 V94 A107 L110 L210 V211 M212V89-V92 HydrophobicContact CG1-CG2 3.73Å; V92-V94 HydrophobicContact CG1-CG2 4.08Å; V92-A107 HydrophobicContact CB-CB 4.07Å; V92-A107 HydrophobicContact CG2-CB 3.92Å; V92-L110 HydrophobicContact CG1-CD1 4.2Å; V92-L110 HydrophobicContact CG2-CD1 4.47Å; V92-L210 HydrophobicContact CG1-CB 4.22Å; V92-L210 HydrophobicContact CG1-CD1 4.11Å; V92-L210 HydrophobicContact CG1-CD2 4.16Å; V92-L210 HydrophobicContact CG1-CG 4.4Å; V92-V211 CarbonylContact C-O 3.54Å; V92-V211 WeakPolarHBondContact CA-O 3.19Å; V92-M212 HydrophobicContact CG2-CG 4.27Å
93L97.6Very high97.6Very high76 Ų7653.4 Ų53.440%0.39827%0.27SS..EExtended strand (participates in β ladder)trans-94.8109.2175.3-61.392.2000107.9L210 V211L93-L210 CarbonylContact O-C 3.39Å; L93-L210 VanDerWaalsContact O-CA 3.22Å; L93-L210 WeakPolarHBondContact O-CA 3.24Å; L93-L210 WeakPolarHBondContact O-CB 3.4Å; L93-V211 HydrophobicContact CB-CB 4.43Å; L93-V211 HydrophobicContact CD1-CG1 4.39Å; L93-V211 PolarHBondContact N-O 3.39Å; L93-V211 PolarHBondContact O-N 3.17Å
94V97.8Very high97.5Very high56 Ų5657.9 Ų57.934%0.33929%0.291SS..EExtended strand (participates in β ladder)trans-92.9122.4-178.6-177.30000109.1V92 N97 L210V92-V94 HydrophobicContact CG1-CG2 4.08Å; V94-N97 HydrophobicContact CG1-CB 3.78Å; V94-L210 HydrophobicContact CG2-CB 4.41Å
95Y97.1Very high97.5Very high154 Ų15461.6 Ų61.660%0.60431%0.31SS*.EExtended strand (participates in β ladder)trans-90.7-47.2173.7-66-68.5000111.5D209 V211Y95-D209 PolarHBondContact N-O 2.77Å; Y95-V211 HydrophobicContact CE2-CB 4.3Å; Y95-V211 HydrophobicContact CE2-CG2 3.66Å
96N95.8Very high97.5Very high68 Ų6860.6 Ų60.636%0.36430%0.303SS..EExtended strand (participates in β ladder)trans-153.2110.5178.7-169.724000110T98 E207 I208 D209N96-T98 WeakPolarHBondContact OD1-CG2 3.35Å; N96-E207 PolarHBondContact ND2-OE2 3.47Å; N96-I208 CarbonylContact O-C 3.59Å; N96-I208 WeakPolarHBondContact O-CA 3.44Å; N96-D209 PolarHBondContact N-O 3.01Å; N96-D209 PolarHBondContact O-N 2.72Å
97N97.4Very high97.5Very high30 Ų3061.9 Ų61.916%0.1631%0.314CS..EExtended strand (participates in β ladder)trans-116.5110.1169-179.916.4000109V94 S99 V101 D103V94-N97 HydrophobicContact CG1-CB 3.78Å; N97-S99 WeakPolarHBondContact OD1-CB 3.4Å; N97-S99 PolarHBondContact OD1-N 3.11Å; N97-S99 PolarHBondContact OD1-OG 3.24Å; N97-V101 PolarHBondContact ND2-O 2.86Å; N97-D103 VanDerWaalsContact CB-OD1 3.27Å; N97-D103 WeakPolarHBondContact CB-OD1 3.36Å; N97-D103 PolarHBondContact ND2-OD1 2.91Å
98T97.5Very high97.5Very high60 Ų6067 Ų6737%0.36834%0.338SS..  trans-111.412.4175.253.10000111.9N96 Q206 E207N96-T98 WeakPolarHBondContact OD1-CG2 3.35Å; T98-Q206 WeakPolarHBondContact O-CG 3.32Å; T98-Q206 PolarHBondContact O-NE2 3.21Å; T98-Q206 WeakPolarHBondContact OG1-CA 3.45Å; T98-E207 PolarHBondContact N-O 3.33Å; T98-E207 PolarHBondContact OG1-N 3.08Å; T98-E207 PolarHBondContact OG1-O 2.87Å; T98-E207 VanDerWaalsContact OG1-O 3.09Å
99S97.2Very high97.5Very high17 Ų1772.2 Ų72.212%0.11936%0.357CS..SBendtrans-72.4172.217583.20000111.4N97 V101N97-S99 WeakPolarHBondContact OD1-CB 3.4Å; N97-S99 PolarHBondContact OD1-N 3.11Å; N97-S99 PolarHBondContact OD1-OG 3.24Å; S99-V101 VanDerWaalsContact C-N 3.31Å; S99-V101 PolarHBondContact OG-N 2.96Å; S99-V101 PolarHBondContact OG-O 3.44Å
100I97.2Very high97.5Very high131 Ų13172.1 Ų72.167%0.67236%0.357SS*.SBendtrans-79.1-20173.6-56.6-57.4000111.5Q102I100-Q102 PolarHBondContact O-N 2.9Å
101V97.6Very high97.6Very high31 Ų3167.7 Ų67.719%0.18834%0.338CS..SBendtrans-76.7123.7179.3-175.10000108.2N97 S99 I105 L106 A200N97-V101 PolarHBondContact ND2-O 2.86Å; S99-V101 VanDerWaalsContact C-N 3.31Å; S99-V101 PolarHBondContact OG-N 2.96Å; S99-V101 PolarHBondContact OG-O 3.44Å; V101-I105 HydrophobicContact CG1-CB 4.18Å; V101-I105 HydrophobicContact CG1-CG2 4.09Å; V101-L106 HydrophobicContact CG1-CB 4.05Å; V101-A200 HydrophobicContact CG2-CB 4.02Å
102Q97.9Very high97.7Very high107 Ų10766.6 Ų66.650%0.534%0.337SS..  trans-64.7150.8178.7-58.281.9-1.400111.3I100 E104 I105 L106I100-Q102 PolarHBondContact O-N 2.9Å; Q102-E104 VanDerWaalsContact C-N 3.32Å; Q102-E104 VanDerWaalsContact CB-CD 3.48Å; Q102-E104 WeakPolarHBondContact CB-OE1 3.43Å; Q102-E104 WeakPolarHBondContact CB-OE2 3.36Å; Q102-E104 PolarHBondContact O-N 3.17Å; Q102-I105 HydrophobicContact CB-CG1 4.24Å; Q102-I105 PolarHBondContact O-N 2.95Å; Q102-I105 VanDerWaalsContact O-N 3.15Å; Q102-L106 WeakPolarHBondContact O-CB 3.25Å; Q102-L106 PolarHBondContact O-N 3.1Å
103D97.9Very high97.8Very high77 Ų7765.1 Ų65.141%0.41233%0.327SS..Hα-helixtrans-58.4-42.9-174.5-65.2-21.8000112.2N97 I105 L106 A107N97-D103 VanDerWaalsContact CB-OD1 3.27Å; N97-D103 WeakPolarHBondContact CB-OD1 3.36Å; N97-D103 PolarHBondContact ND2-OD1 2.91Å; D103-I105 PolarHBondContact O-N 2.83Å; D103-L106 PolarHBondContact O-N 2.82Å; D103-A107 VanDerWaalsContact O-CB 3.32Å; D103-A107 WeakPolarHBondContact O-CB 3.32Å; D103-A107 PolarHBondContact O-N 2.75Å
104E97.6Very high97.8Very high124 Ų12462.6 Ų62.658%0.57932%0.316SS*.Hα-helixtrans-65.5-38.5179.367.4-76.3179.800112.4Q102 H108Q102-E104 VanDerWaalsContact C-N 3.32Å; Q102-E104 VanDerWaalsContact CB-CD 3.48Å; Q102-E104 WeakPolarHBondContact CB-OE1 3.43Å; Q102-E104 WeakPolarHBondContact CB-OE2 3.36Å; Q102-E104 PolarHBondContact O-N 3.17Å; E104-H108 WeakPolarHBondContact O-CB 3.48Å; E104-H108 PolarHBondContact O-N 2.78Å
105I98.2Very high97.8Very high80 Ų8059.9 Ų59.941%0.4130%0.299SS..Hα-helixtrans-72.2-40178-57.2-56.9000109.9V101 Q102 D103 H108 R109V101-I105 HydrophobicContact CG1-CB 4.18Å; V101-I105 HydrophobicContact CG1-CG2 4.09Å; Q102-I105 HydrophobicContact CB-CG1 4.24Å; Q102-I105 PolarHBondContact O-N 2.95Å; Q102-I105 VanDerWaalsContact O-N 3.15Å; D103-I105 PolarHBondContact O-N 2.83Å; I105-H108 PolarHBondContact O-N 2.96Å; I105-R109 VanDerWaalsContact O-CG 3.29Å; I105-R109 WeakPolarHBondContact O-CG 3.29Å; I105-R109 PolarHBondContact O-N 3Å
106L97.9Very high97.8Very high1 Ų154.8 Ų54.81%0.00528%0.282CS..Hα-helixtrans-62.4-48.7175.8-176.960.1000110.8V101 Q102 D103 H108 R109 L110 I199 A200 I208 L210V101-L106 HydrophobicContact CG1-CB 4.05Å; Q102-L106 WeakPolarHBondContact O-CB 3.25Å; Q102-L106 PolarHBondContact O-N 3.1Å; D103-L106 PolarHBondContact O-N 2.82Å; L106-H108 VanDerWaalsContact C-N 3.35Å; L106-H108 PolarHBondContact O-N 2.79Å; L106-R109 PolarHBondContact O-N 2.68Å; L106-L110 HydrophobicContact CD1-CD1 4.43Å; L106-L110 HydrophobicContact CG-CD1 4.14Å; L106-L110 VanDerWaalsContact O-CG 3.29Å; L106-L110 WeakPolarHBondContact O-CG 3.26Å; L106-L110 PolarHBondContact O-N 2.99Å; L106-I199 HydrophobicContact CD1-CG2 3.45Å; L106-I199 VanDerWaalsContact CD1-CG2 3.45Å; L106-A200 HydrophobicContact CD1-CB 4.41Å; L106-I208 HydrophobicContact CD2-CD1 4.23Å; L106-I208 HydrophobicContact CD2-CG2 4.13Å; L106-L210 HydrophobicContact CD2-CD2 3.62Å; L106-L210 HydrophobicContact CG-CD2 4.18Å
107A98.3Very high97.9Very high31 Ų3151.7 Ų51.726%0.25627%0.266SS..Hα-helixtrans-60.6-42.8177.200000111.9V92 D103 R109 L110 G111V92-A107 HydrophobicContact CB-CB 4.07Å; V92-A107 HydrophobicContact CG2-CB 3.92Å; D103-A107 VanDerWaalsContact O-CB 3.32Å; D103-A107 WeakPolarHBondContact O-CB 3.32Å; D103-A107 PolarHBondContact O-N 2.75Å; A107-R109 PolarHBondContact O-N 2.93Å; A107-L110 PolarHBondContact O-N 3.43Å; A107-G111 PolarHBondContact O-N 3.31Å
108H98.4Very high97.9Very high109 Ų10952.1 Ų52.151%0.50527%0.269SS..Hα-helixtrans-60.8-43.6175.3179.5-83.8000112.1E104 I105 L106 G111 L112E104-H108 WeakPolarHBondContact O-CB 3.48Å; E104-H108 PolarHBondContact O-N 2.78Å; I105-H108 PolarHBondContact O-N 2.96Å; L106-H108 VanDerWaalsContact C-N 3.35Å; L106-H108 PolarHBondContact O-N 2.79Å; H108-G111 PolarHBondContact O-N 3.46Å; H108-L112 PolarHBondContact O-N 3.39Å
109R98.3Very high97.8Very high112 Ų11249.5 Ų49.542%0.42325%0.252SS..Hα-helixtrans-63.6-43.7176.9-71.4177.475.880.76.7112I105 L106 A107 G111 L112 L198 I199I105-R109 VanDerWaalsContact O-CG 3.29Å; I105-R109 WeakPolarHBondContact O-CG 3.29Å; I105-R109 PolarHBondContact O-N 3Å; L106-R109 PolarHBondContact O-N 2.68Å; A107-R109 PolarHBondContact O-N 2.93Å; R109-G111 VanDerWaalsContact C-N 3.27Å; R109-G111 PolarHBondContact O-N 2.8Å; R109-L112 PolarHBondContact O-N 2.9Å; R109-L198 PolarHBondContact NH2-O 2.97Å; R109-I199 PolarHBondContact NE-O 3.44Å
110L98.3Very high97.8Very high0 Ų054.6 Ų54.60%027%0.269CS..Hα-helixtrans-63.1-35.7176.4-67.7170.1000111.8V92 L106 A107 L112 I113 L142 I199 L210 M212V92-L110 HydrophobicContact CG1-CD1 4.2Å; V92-L110 HydrophobicContact CG2-CD1 4.47Å; L106-L110 HydrophobicContact CD1-CD1 4.43Å; L106-L110 HydrophobicContact CG-CD1 4.14Å; L106-L110 VanDerWaalsContact O-CG 3.29Å; L106-L110 WeakPolarHBondContact O-CG 3.26Å; L106-L110 PolarHBondContact O-N 2.99Å; A107-L110 PolarHBondContact O-N 3.43Å; L110-L112 PolarHBondContact O-N 2.9Å; L110-I113 HydrophobicContact CD2-CD1 3.92Å; L110-I113 PolarHBondContact O-N 2.91Å; L110-L142 HydrophobicContact CD2-CD2 4.19Å; L110-I199 HydrophobicContact CD2-CD1 3.85Å; L110-I199 HydrophobicContact CD2-CG1 4.4Å; L110-I199 HydrophobicContact CD2-CG2 3.83Å; L110-I199 HydrophobicContact CG-CG2 4.36Å; L110-L210 HydrophobicContact CD1-CD1 3.72Å; L110-L210 HydrophobicContact CD1-CD2 3.73Å; L110-L210 HydrophobicContact CD1-CG 4.43Å; L110-M212 HydrophobicContact CB-SD 4.15Å; L110-M212 HydrophobicContact CD1-CG 4.3Å; L110-M212 HydrophobicContact CD1-SD 3.93Å; L110-M212 HydrophobicContact CD2-SD 3.83Å; L110-M212 HydrophobicContact CG-SD 4.18Å
111G98.2Very high97.8Very high7 Ų753.5 Ų53.57%0.07226%0.264CS..Hα-helixtrans-58.1-28174.200000114.7A107 H108 R109 K224A107-G111 PolarHBondContact O-N 3.31Å; H108-G111 PolarHBondContact O-N 3.46Å; R109-G111 VanDerWaalsContact C-N 3.27Å; R109-G111 PolarHBondContact O-N 2.8Å; G111-K224 WeakPolarHBondContact O-CB 3.5Å; G111-K224 WeakPolarHBondContact O-CD 3.5Å
112L98.4Very high97.7Very high92 Ų9252.3 Ų52.348%0.48226%0.256SS..THydrogen-bonded Turntrans-93.9-1-176.9-64.3174.7000113.8H108 R109 L110 P114 K224H108-L112 PolarHBondContact O-N 3.39Å; R109-L112 PolarHBondContact O-N 2.9Å; L110-L112 PolarHBondContact O-N 2.9Å; L112-P114 WeakPolarHBondContact O-CD 3.38Å; L112-K224 HydrophobicContact CD2-CB 3.87Å
113I98.6Very high97.6Very high4 Ų453.5 Ų53.52%0.02126%0.262CS..SBendtrans-77.4119.7177.5-62.1175000108.3L110 I115 M173 P192 I197 I199L110-I113 HydrophobicContact CD2-CD1 3.92Å; L110-I113 PolarHBondContact O-N 2.91Å; I113-I115 HydrophobicContact CG2-CD1 4.42Å; I113-I115 PolarHBondContact O-N 3.19Å; I113-M173 HydrophobicContact CD1-SD 3.81Å; I113-M173 HydrophobicContact CG2-SD 4.41Å; I113-P192 HydrophobicContact CG2-CB 3.81Å; I113-I197 HydrophobicContact CG2-CD1 4.44Å; I113-I199 HydrophobicContact CD1-CD1 3.89Å; I113-I199 HydrophobicContact CD1-CG1 3.99Å
114P98.2Very high97.6Very high23 Ų2355.3 Ų55.315%0.14926%0.264CS..PPolyproline II helixtrans-68131.1176.227.7-33.2000110.1L112 V193 V315L112-P114 WeakPolarHBondContact O-CD 3.38Å; P114-V193 HydrophobicContact CB-CB 4.31Å; P114-V193 HydrophobicContact CB-CG2 3.9Å; P114-V193 HydrophobicContact CG-CB 4.03Å; P114-V193 HydrophobicContact CG-CG2 4.18Å; P114-V193 WeakPolarHBondContact O-CG2 3.45Å; P114-V193 PolarHBondContact O-N 2.99Å; P114-V315 HydrophobicContact CB-CG2 3.9Å
115I98.3Very high97.4Very high0 Ų051.8 Ų51.80%025%0.245CC..EExtended strand (participates in β ladder)trans-100.2126.6179.3-54.5-58.3000108.8I113 A117 F140 M173I113-I115 HydrophobicContact CG2-CD1 4.42Å; I113-I115 PolarHBondContact O-N 3.19Å; I115-A117 VanDerWaalsContact C-N 3.34Å; I115-A117 HydrophobicContact CG2-CB 4.07Å; I115-A117 PolarHBondContact O-N 3.39Å; I115-F140 HydrophobicContact CD1-CE2 4.22Å; I115-F140 HydrophobicContact CD1-CZ 4.47Å; I115-F140 HydrophobicContact CG2-CE2 3.83Å; I115-F140 HydrophobicContact CG2-CZ 3.92Å; I115-M173 HydrophobicContact CD1-CE 4.11Å
116L97.8Very high97Very high47 Ų4752.4 Ų52.425%0.24625%0.249CC..EExtended strand (participates in β ladder)trans-74.990.3170.8-170.668.1000108.1I190 R191 V193 G314L116-I190 WeakPolarHBondContact O-CA 3.49Å; L116-R191 WeakPolarHBondContact CA-O 3.43Å; L116-R191 HydrophobicContact CB-CG 4.23Å; L116-R191 VanDerWaalsContact CB-O 3.27Å; L116-R191 WeakPolarHBondContact CB-O 3.46Å; L116-R191 HydrophobicContact CD2-CG 4.03Å; L116-R191 PolarHBondContact N-O 3.07Å; L116-V193 HydrophobicContact CB-CG2 4.03Å; L116-V193 HydrophobicContact CD1-CG2 4.49Å; L116-G314 WeakPolarHBondContact CD1-O 3.04Å
117A96.9Very high96.6Very high3 Ų358.8 Ų58.83%0.02529%0.291CS..  trans-152.2129.9174.300000108.1M87 I115 P119 F122 L138 I190M87-A117 HydrophobicContact CB-CB 4.18Å; M87-A117 HydrophobicContact CG-CB 3.92Å; I115-A117 VanDerWaalsContact C-N 3.34Å; I115-A117 HydrophobicContact CG2-CB 4.07Å; I115-A117 PolarHBondContact O-N 3.39Å; A117-P119 WeakPolarHBondContact O-CD 2.95Å; A117-F122 HydrophobicContact CB-CE2 4.24Å; A117-L138 HydrophobicContact CB-CD1 3.49Å; A117-L138 VanDerWaalsContact CB-CD1 3.49Å; A117-I190 HydrophobicContact CB-CD1 3.81Å
118D96.9Very high95.9Very high39 Ų3961.1 Ų61.121%0.20932%0.317CS..  trans-70.6110.1-179.9-174.9-12.7000110.3R120 L121 F122D118-R120 PolarHBondContact O-N 3.07Å; D118-R120 VanDerWaalsContact OD1-CB 3.27Å; D118-R120 WeakPolarHBondContact OD1-CB 3.34Å; D118-R120 WeakPolarHBondContact OD1-CG 3.3Å; D118-R120 IonicContact OD1-CZ 3.67Å; D118-R120 PolarHBondContact OD1-N 2.97Å; D118-R120 IonicContact OD1-NE 2.96Å; D118-R120 PolarHBondContact OD1-NE 3.14Å; D118-R120 IonicContact OD1-NH2 3.95Å; D118-R120 IonicContact OD2-CZ 2.75Å; D118-R120 VanDerWaalsContact OD2-CZ 3.25Å; D118-R120 IonicContact OD2-NE 3.47Å; D118-R120 PolarHBondContact OD2-NE 3.15Å; D118-R120 IonicContact OD2-NH2 3.64Å; D118-R120 PolarHBondContact OD2-NH2 3Å; D118-L121 HydrophobicContact CB-CD1 4.1Å; D118-L121 HydrophobicContact CB-CG 4.27Å; D118-L121 PolarHBondContact O-N 3.44Å; D118-F122 VanDerWaalsContact O-CD2 3.27Å; D118-F122 WeakPolarHBondContact O-CD2 3.33Å
119P97Very high95.4Very high4 Ų460 Ų603%0.02631%0.313CS..G310 helixtrans-67.3-12-175.230.4-36.6000112.9P85 M87 A117 L121 F122 K216 L316P85-P119 VanDerWaalsContact O-CG 3.27Å; P85-P119 WeakPolarHBondContact O-CG 3.41Å; M87-P119 HydrophobicContact CG-CB 4.37Å; A117-P119 WeakPolarHBondContact O-CD 2.95Å; P119-L121 VanDerWaalsContact C-N 3.26Å; P119-L121 PolarHBondContact O-N 3.27Å; P119-F122 PolarHBondContact O-N 3.13Å; P119-K216 WeakPolarHBondContact O-CD 3.1Å; P119-K216 VanDerWaalsContact O-CE 3.26Å; P119-K216 WeakPolarHBondContact O-CE 3.39Å; P119-K216 PolarHBondContact O-NZ 3.04Å; P119-L316 HydrophobicContact CG-CD1 3.97Å
120R96.3Very high94.5Very high125 Ų12562.9 Ų62.947%0.47233%0.331SS..G310 helixtrans-72.8-22.4178-60.6171.8-66.1-174.13.5112.4D118 F122 E324D118-R120 PolarHBondContact O-N 3.07Å; D118-R120 VanDerWaalsContact OD1-CB 3.27Å; D118-R120 WeakPolarHBondContact OD1-CB 3.34Å; D118-R120 WeakPolarHBondContact OD1-CG 3.3Å; D118-R120 IonicContact OD1-CZ 3.67Å; D118-R120 PolarHBondContact OD1-N 2.97Å; D118-R120 IonicContact OD1-NE 2.96Å; D118-R120 PolarHBondContact OD1-NE 3.14Å; D118-R120 IonicContact OD1-NH2 3.95Å; D118-R120 IonicContact OD2-CZ 2.75Å; D118-R120 VanDerWaalsContact OD2-CZ 3.25Å; D118-R120 IonicContact OD2-NE 3.47Å; D118-R120 PolarHBondContact OD2-NE 3.15Å; D118-R120 IonicContact OD2-NH2 3.64Å; D118-R120 PolarHBondContact OD2-NH2 3Å; R120-F122 VanDerWaalsContact C-N 3.33Å; R120-E324 IonicContact NH1-OE1 2.92Å
121L96.1Very high93.7Very high107 Ų10771.4 Ų71.456%0.5637%0.37SS*.G310 helixtrans-86.3-6.3179.9-59176.7000113.1D118 P119 F185D118-L121 HydrophobicContact CB-CD1 4.1Å; D118-L121 HydrophobicContact CB-CG 4.27Å; D118-L121 PolarHBondContact O-N 3.44Å; P119-L121 VanDerWaalsContact C-N 3.26Å; P119-L121 PolarHBondContact O-N 3.27Å; L121-F185 HydrophobicContact CB-CZ 4.47Å; L121-F185 HydrophobicContact CD1-CE1 3.66Å; L121-F185 HydrophobicContact CD1-CZ 4.15Å
122F96.8Very high93.1Very high6 Ų672 Ų723%0.02638%0.376CS..SBendtrans-116.9144.9-178.7-58.5-86.2000111.3M87 A117 D118 P119 R120 I135 L138 F185 K216M87-F122 HydrophobicContact CE-CB 4.11Å; M87-F122 HydrophobicContact CE-CD1 4.08Å; M87-F122 HydrophobicContact CE-CD2 4Å; M87-F122 HydrophobicContact CE-CG 3.78Å; M87-F122 HydrophobicContact CG-CD2 4.21Å; M87-F122 HydrophobicContact SD-CB 3.95Å; M87-F122 HydrophobicContact SD-CD2 3.91Å; M87-F122 HydrophobicContact SD-CG 3.99Å; A117-F122 HydrophobicContact CB-CE2 4.24Å; D118-F122 VanDerWaalsContact O-CD2 3.27Å; D118-F122 WeakPolarHBondContact O-CD2 3.33Å; P119-F122 PolarHBondContact O-N 3.13Å; R120-F122 VanDerWaalsContact C-N 3.33Å; F122-I135 WeakPolarHBondContact CA-O 3.47Å; F122-L138 HydrophobicContact CE1-CD1 4.31Å; F122-L138 HydrophobicContact CE1-CD2 3.81Å; F122-L138 HydrophobicContact CE1-CG 3.83Å; F122-L138 HydrophobicContact CE2-CD1 4.22Å; F122-L138 HydrophobicContact CZ-CD1 3.79Å; F122-L138 HydrophobicContact CZ-CD2 3.73Å; F122-L138 HydrophobicContact CZ-CG 3.8Å; F122-F185 HydrophobicContact CE1-CE2 4.34Å; F122-F185 HydrophobicContact CE1-CZ 4.27Å; F122-F185 HydrophobicContact CE2-CZ 4.01Å; F122-F185 HydrophobicContact CZ-CE1 4.36Å; F122-F185 AromaticContact CZ-CE2 3.83Å; F122-F185 HydrophobicContact CZ-CE2 3.83Å; F122-F185 AromaticContact CZ-CZ 3.48Å; F122-F185 HydrophobicContact CZ-CZ 3.48Å; F122-F185 VanDerWaalsContact CZ-CZ 3.48Å; F122-K216 VanDerWaalsContact O-CD 3.22Å; F122-K216 WeakPolarHBondContact O-CD 3.43Å; F122-K216 PolarHBondContact O-NZ 2.59Å
123E96.3Very high92.7Very high132 Ų13270.6 Ų70.662%0.61737%0.372SS*.PPolyproline II helixtrans-87.9167172.8-65.9-170.5174.600111.5I135E123-I135 HydrophobicContact CB-CG2 4.23Å; E123-I135 HydrophobicContact CG-CG2 3.93Å; E123-I135 PolarHBondContact N-O 2.8Å; E123-I135 VanDerWaalsContact N-O 3.15Å
124Y96.4Very high92.4Very high116 Ų11675 Ų7546%0.45539%0.393SS..PPolyproline II helixtrans-76.4135.2170.5-73.6-82.2000109.2P85 N126 K216 I218P85-Y124 WeakPolarHBondContact CB-OH 3.18Å; Y124-N126 PolarHBondContact O-N 3.09Å; Y124-K216 HydrophobicContact CD1-CB 4.36Å; Y124-K216 HydrophobicContact CD1-CD 4.46Å; Y124-K216 HydrophobicContact CD1-CG 4.15Å; Y124-K216 WeakPolarHBondContact CD1-O 3.38Å; Y124-K216 HydrophobicContact CD2-CD 4.41Å; Y124-K216 HydrophobicContact CE1-CD 4.33Å; Y124-K216 HydrophobicContact CE1-CG 3.88Å; Y124-K216 HydrophobicContact CE2-CD 4.27Å; Y124-I218 HydrophobicContact CE1-CG2 4.47Å; Y124-I218 WeakPolarHBondContact OH-CG2 3.25Å
125R93.6Very high92.1Very high49 Ų4978 Ų7819%0.18541%0.407CS..PPolyproline II helixtrans-62.1134.6172175.7166-68.5173.110.7111E129 G132 D136 T137R125-E129 WeakPolarHBondContact CD-O 3.47Å; R125-G132 VanDerWaalsContact NH2-CA 3.35Å; R125-D136 WeakPolarHBondContact CB-OD2 3.41Å; R125-D136 WeakPolarHBondContact CG-OD2 3.47Å; R125-D136 IonicContact CZ-OD2 2.86Å; R125-D136 IonicContact NE-OD2 3.28Å; R125-D136 PolarHBondContact NE-OD2 3.18Å; R125-D136 IonicContact NH2-OD2 3.82Å; R125-D136 PolarHBondContact NH2-OD2 3.18Å; R125-T137 PolarHBondContact NH2-OG1 3.12Å
126N91.2Very high92Very high94 Ų9478.4 Ų78.450%0.50341%0.408SS..PPolyproline II helixtrans-69.5143.2173.5-66.9-40.6000111.2Y124 G128 E129Y124-N126 PolarHBondContact O-N 3.09Å; N126-G128 PolarHBondContact O-N 3.43Å; N126-E129 HydrophobicContact CB-CG 4.26Å; N126-E129 WeakPolarHBondContact CB-OE1 3.28Å; N126-E129 PolarHBondContact ND2-OE1 3.29Å; N126-E129 VanDerWaalsContact ND2-OE1 3.1Å; N126-E129 PolarHBondContact O-N 3.16Å
127P87.5Confident91.9Very high135 Ų13576.1 Ų76.188%0.87740%0.397SS*.THydrogen-bonded Turntrans-58.4127.7175-23.433.4000112.1
128G84.9Confident92Very high79 Ų7976 Ų7681%0.81440%0.396SS*.THydrogen-bonded Turntrans95.9-6175.300000115.7N126N126-G128 PolarHBondContact O-N 3.43Å
129E86.9Confident92Very high87 Ų8776 Ų7641%0.40739%0.394SS..  trans-85.1114.9173.5-68.1176.4-17000110.6R125 N126R125-E129 WeakPolarHBondContact CD-O 3.47Å; N126-E129 HydrophobicContact CB-CG 4.26Å; N126-E129 WeakPolarHBondContact CB-OE1 3.28Å; N126-E129 PolarHBondContact ND2-OE1 3.29Å; N126-E129 VanDerWaalsContact ND2-OE1 3.1Å; N126-E129 PolarHBondContact O-N 3.16Å
130E80.9Confident92.1Very high172 Ų17275.9 Ų75.980%0.80439%0.393SS*.  trans-92.5-34.1-174.5-64.5-171.4167.500114
131E80.5Confident92.2Very high178 Ų17874.4 Ų74.483%0.83239%0.388SS*.SBendtrans-78.7-33.4-170.5-151.8168.1-167.400112.2
132G85.1Confident92.3Very high19 Ų1969.3 Ų69.320%0.19636%0.361CS..  trans71.5158.5-175.100000112.8R125R125-G132 VanDerWaalsContact NH2-CA 3.35Å
133T91.3Very high92.4Very high64 Ų6473.8 Ų73.839%0.39338%0.382SS..  trans-122.7171-18068.90000110.5I135 D136 T137T133-I135 PolarHBondContact O-N 3.4Å; T133-I135 PolarHBondContact OG1-N 2.92Å; T133-D136 WeakPolarHBondContact CA-OD1 3.47Å; T133-D136 PolarHBondContact N-OD1 3.48Å; T133-D136 PolarHBondContact O-N 2.9Å; T133-D136 VanDerWaalsContact O-OD1 3.04Å; T133-D136 PolarHBondContact OG1-OD1 3.17Å; T133-T137 VanDerWaalsContact O-CG2 3.32Å; T133-T137 WeakPolarHBondContact O-CG2 3.41Å; T133-T137 PolarHBondContact O-N 2.73Å
134E91.2Very high92.5Very high96 Ų9667.8 Ų67.845%0.44935%0.354SS..THydrogen-bonded Turntrans-58.5-17.7174.866.4-133.2-145.100114.7Q181E134-Q181 HydrophobicContact CB-CG 4.29Å; E134-Q181 PolarHBondContact O-NE2 3.01Å
135I93.3Very high92.5Very high87 Ų8769.1 Ų69.145%0.44636%0.359SS..THydrogen-bonded Turntrans-90.5-30.7-173.3-47.9178.9000111.9F122 E123 T133F122-I135 WeakPolarHBondContact CA-O 3.47Å; E123-I135 HydrophobicContact CB-CG2 4.23Å; E123-I135 HydrophobicContact CG-CG2 3.93Å; E123-I135 PolarHBondContact N-O 2.8Å; E123-I135 VanDerWaalsContact N-O 3.15Å; T133-I135 PolarHBondContact O-N 3.4Å; T133-I135 PolarHBondContact OG1-N 2.92Å
136D95.1Very high92.7Very high7 Ų766.9 Ų66.94%0.03735%0.35CS..THydrogen-bonded Turntrans-120-6.3-169.375.1-43.6000113.7R125 T133R125-D136 WeakPolarHBondContact CB-OD2 3.41Å; R125-D136 WeakPolarHBondContact CG-OD2 3.47Å; R125-D136 IonicContact CZ-OD2 2.86Å; R125-D136 IonicContact NE-OD2 3.28Å; R125-D136 PolarHBondContact NE-OD2 3.18Å; R125-D136 IonicContact NH2-OD2 3.82Å; R125-D136 PolarHBondContact NH2-OD2 3.18Å; T133-D136 WeakPolarHBondContact CA-OD1 3.47Å; T133-D136 PolarHBondContact N-OD1 3.48Å; T133-D136 PolarHBondContact O-N 2.9Å; T133-D136 VanDerWaalsContact O-OD1 3.04Å; T133-D136 PolarHBondContact OG1-OD1 3.17Å
137T96.8Very high93Very high0 Ų065.6 Ų65.60%035%0.346CS..EExtended strand (participates in β ladder)trans-134.6149-176.6-145.90000115R125 T133 L178 Q181 C214R125-T137 PolarHBondContact NH2-OG1 3.12Å; T133-T137 VanDerWaalsContact O-CG2 3.32Å; T133-T137 WeakPolarHBondContact O-CG2 3.41Å; T133-T137 PolarHBondContact O-N 2.73Å; T137-L178 HydrophobicContact CG2-CD1 3.25Å; T137-Q181 PolarHBondContact O-NE2 3.29Å; T137-C214 WeakPolarHBondContact CA-O 3.48Å; T137-C214 PolarHBondContact OG1-O 3.28Å
138L97.5Very high93.4Very high0 Ų066.4 Ų66.40%034%0.336CS..EExtended strand (participates in β ladder)trans-115.7150.6160.4-67.1169.6000109.9M87 A117 F122 F140 I190 H213 C214M87-L138 HydrophobicContact CE-CD1 4.26Å; M87-L138 HydrophobicContact CE-CG 4.36Å; A117-L138 HydrophobicContact CB-CD1 3.49Å; A117-L138 VanDerWaalsContact CB-CD1 3.49Å; F122-L138 HydrophobicContact CE1-CD1 4.31Å; F122-L138 HydrophobicContact CE1-CD2 3.81Å; F122-L138 HydrophobicContact CE1-CG 3.83Å; F122-L138 HydrophobicContact CE2-CD1 4.22Å; F122-L138 HydrophobicContact CZ-CD1 3.79Å; F122-L138 HydrophobicContact CZ-CD2 3.73Å; F122-L138 HydrophobicContact CZ-CG 3.8Å; L138-F140 HydrophobicContact CB-CE2 4.43Å; L138-I190 HydrophobicContact CD1-CD1 4.26Å; L138-I190 HydrophobicContact CD1-CG2 4.01Å; L138-I190 HydrophobicContact CD2-CG2 4.28Å; L138-H213 WeakPolarHBondContact O-CA 3.49Å; L138-C214 HydrophobicContact CB-CB 4.15Å; L138-C214 PolarHBondContact N-O 2.96Å; L138-C214 PolarHBondContact O-N 3.44Å
139Q98Very high93.8Very high39 Ų3964.8 Ų64.818%0.18231%0.308CS..EExtended strand (participates in β ladder)trans-121.2133.9178.4-173175.659.400111W175 V176 L178 V211 M212 H213Q139-W175 VanDerWaalsContact O-CD1 3.28Å; Q139-V176 HydrophobicContact CB-CB 4.37Å; Q139-V176 HydrophobicContact CG-CB 4.24Å; Q139-V176 PolarHBondContact O-N 3.47Å; Q139-L178 HydrophobicContact CB-CD1 4.29Å; Q139-L178 HydrophobicContact CB-CG 4.45Å; Q139-V211 HydrophobicContact CG-CG1 3.7Å; Q139-V211 VanDerWaalsContact NE2-CG1 3.27Å; Q139-M212 VanDerWaalsContact CA-O 3.32Å; Q139-M212 WeakPolarHBondContact CA-O 3.17Å; Q139-H213 PolarHBondContact NE2-NE2 3.36Å
140F98.4Very high94Very high1 Ų166.4 Ų66.40%0.00433%0.326CS..EExtended strand (participates in β ladder)trans-124.2144.7171.6-72.4-94.1000110.1I115 L138 M173 T174 W175 I190 V211 M212I115-F140 HydrophobicContact CD1-CE2 4.22Å; I115-F140 HydrophobicContact CD1-CZ 4.47Å; I115-F140 HydrophobicContact CG2-CE2 3.83Å; I115-F140 HydrophobicContact CG2-CZ 3.92Å; L138-F140 HydrophobicContact CB-CE2 4.43Å; F140-M173 HydrophobicContact CB-CE 4.34Å; F140-M173 HydrophobicContact CD1-CB 4.23Å; F140-M173 HydrophobicContact CD1-CE 4.31Å; F140-M173 HydrophobicContact CG-CE 4.23Å; F140-T174 CarbonylContact C-O 3.59Å; F140-T174 WeakPolarHBondContact CA-O 3.26Å; F140-W175 HydrophobicContact CD1-CB 4.11Å; F140-W175 HydrophobicContact CE1-CB 3.81Å; F140-W175 HydrophobicContact CZ-CB 4.42Å; F140-I190 HydrophobicContact CE1-CG2 4.38Å; F140-I190 HydrophobicContact CE2-CG2 4.21Å; F140-I190 HydrophobicContact CZ-CG2 3.6Å; F140-V211 CarbonylContact O-C 3.53Å; F140-V211 WeakPolarHBondContact O-CA 3.2Å; F140-M212 HydrophobicContact CB-CB 4.32Å; F140-M212 HydrophobicContact CB-CE 3.6Å; F140-M212 PolarHBondContact N-O 3.5Å; F140-M212 PolarHBondContact O-N 3.1Å
141R98.4Very high94.4Very high95 Ų9565 Ų6536%0.35833%0.325SS..EExtended strand (participates in β ladder)trans-112.6134.9171-170.4177.6-176.9-179.82.2110.2Q143 T174 V176 D209 V211R141-Q143 VanDerWaalsContact CZ-OE1 3.28Å; R141-T174 PolarHBondContact N-O 3.34Å; R141-T174 PolarHBondContact O-N 3.02Å; R141-V176 HydrophobicContact CB-CG2 3.93Å; R141-D209 IonicContact CZ-OD1 3.25Å; R141-D209 IonicContact NE-OD1 2.65Å; R141-D209 PolarHBondContact NE-OD1 3.12Å; R141-D209 IonicContact NH2-OD1 3.44Å; R141-D209 PolarHBondContact NH2-OD1 3.03Å; R141-D209 IonicContact NH2-OD2 3.03Å; R141-D209 PolarHBondContact NH2-OD2 3.04Å; R141-V211 HydrophobicContact CB-CG2 4.47Å; R141-V211 HydrophobicContact CG-CG2 4.19Å
142L98.3Very high94.8Very high0 Ų057.7 Ų57.70%029%0.294CS..EExtended strand (participates in β ladder)trans-120.5110.2171.5177.666.3000108.4L110 V144 V168 H172 M173 I199 I208 D209 L210 M212L110-L142 HydrophobicContact CD2-CD2 4.19Å; L142-V144 HydrophobicContact CD1-CG2 3.93Å; L142-V168 HydrophobicContact CD1-CG1 4.01Å; L142-V168 HydrophobicContact CD2-CG1 4.16Å; L142-V168 HydrophobicContact CG-CG1 4.5Å; L142-H172 HydrophobicContact CD1-CB 3.65Å; L142-M173 HydrophobicContact CD1-CG 4.32Å; L142-I199 HydrophobicContact CD2-CD1 4.16Å; L142-I208 HydrophobicContact CD2-CG2 4.29Å; L142-D209 WeakPolarHBondContact O-CA 3.49Å; L142-L210 HydrophobicContact CB-CD1 3.71Å; L142-L210 HydrophobicContact CB-CG 4.13Å; L142-L210 HydrophobicContact CD2-CD1 4.32Å; L142-L210 PolarHBondContact N-O 3.06Å; L142-L210 PolarHBondContact O-N 2.93Å; L142-M212 HydrophobicContact CB-CE 3.86Å
143Q98.2Very high95Very high100 Ų10058.8 Ų58.847%0.46730%0.301SS..EExtended strand (participates in β ladder)trans-130.2106.4-179.8-170.117913.100110R141 I208 D209R141-Q143 VanDerWaalsContact CZ-OE1 3.28Å; Q143-I208 CarbonylContact C-O 3.55Å; Q143-I208 VanDerWaalsContact CA-O 3.31Å; Q143-I208 WeakPolarHBondContact CA-O 3.27Å; Q143-D209 HydrophobicContact CG-CB 4.19Å; Q143-D209 PolarHBondContact NE2-OD2 3.36Å
144V98.1Very high94.4Very high5 Ų566.3 Ų66.33%0.0333%0.329CS..EExtended strand (participates in β ladder)trans-135.3127.1-176.9-174.40000110.9L142 N165 V168 H172 L202 E207 I208L142-V144 HydrophobicContact CD1-CG2 3.93Å; V144-N165 HydrophobicContact CG1-CB 3.77Å; V144-V168 HydrophobicContact CB-CG2 4.24Å; V144-V168 HydrophobicContact CG1-CG2 4.04Å; V144-V168 HydrophobicContact CG2-CG1 4.08Å; V144-H172 HydrophobicContact CG2-CB 3.74Å; V144-L202 HydrophobicContact CG1-CD1 4.21Å; V144-E207 WeakPolarHBondContact O-CA 3.17Å; V144-I208 PolarHBondContact N-O 3.43Å; V144-I208 PolarHBondContact O-N 3.02Å
145R98Very high94.2Very high145 Ų14568.5 Ų68.555%0.54734%0.344SS..EExtended strand (participates in β ladder)trans-117.9129.6174.4-177177.5-71.2-124.72110.2E207R145-E207 HydrophobicContact CB-CG 4.42Å; R145-E207 IonicContact CZ-OE1 3.3Å; R145-E207 VanDerWaalsContact CZ-OE1 3.3Å; R145-E207 IonicContact CZ-OE2 3.55Å; R145-E207 IonicContact NE-OE1 3.02Å; R145-E207 PolarHBondContact NE-OE1 3.5Å; R145-E207 IonicContact NE-OE2 3.89Å; R145-E207 IonicContact NH2-OE1 2.79Å; R145-E207 PolarHBondContact NH2-OE1 3.14Å; R145-E207 IonicContact NH2-OE2 2.79Å; R145-E207 PolarHBondContact NH2-OE2 2.62Å
146C97.8Very high93.9Very high1 Ų165.6 Ų65.61%0.00733%0.331CS..  trans-92.7132179.5-178.50000111.1L202 R203 P204 G205 Q206C146-L202 HydrophobicContact CB-CB 3.6Å; C146-L202 HydrophobicContact CB-CD1 4Å; C146-L202 HydrophobicContact CB-CG 4.47Å; C146-R203 WeakPolarHBondContact CB-O 3.37Å; C146-P204 WeakPolarHBondContact O-CA 3.36Å; C146-G205 PolarHBondContact O-N 3.06Å; C146-G205 VanDerWaalsContact O-N 3.09Å; C146-Q206 PolarHBondContact N-O 3.48Å
147T96.7Very high93.5Very high67 Ų6770.4 Ų70.441%0.41137%0.365SS..EExtended strand (participates in β ladder)trans-132.6158.8-178.758.50000111.5V164T147-V164 PolarHBondContact N-O 2.66Å; T147-V164 PolarHBondContact O-N 2.86Å
148K95.1Very high93.3Very high153 Ų15373.8 Ų73.867%0.66538%0.383SS*.EExtended strand (participates in β ladder)trans-73.7138.3171.5-67.7-173.8179.1-176.60109.4P150 Y163 P204K148-P150 VanDerWaalsContact O-CD 3.31Å; K148-P150 WeakPolarHBondContact O-CD 3.43Å; K148-Y163 HydrophobicContact CG-CD1 4.47Å; K148-P204 HydrophobicContact CG-CB 3.74Å; K148-P204 HydrophobicContact CG-CG 3.64Å
149N94Very high93Very high45 Ų4575.9 Ų75.924%0.24140%0.397CS..  trans-74.5118172.5-177.13.1000109.7N151 A152 E161 L162 V164N149-N151 PolarHBondContact O-N 3.2Å; N149-N151 PolarHBondContact OD1-N 3.24Å; N149-A152 HydrophobicContact CB-CB 4.29Å; N149-A152 PolarHBondContact O-N 2.87Å; N149-E161 WeakPolarHBondContact CB-O 3.45Å; N149-E161 PolarHBondContact ND2-O 3.43Å; N149-L162 WeakPolarHBondContact CB-O 3.32Å; N149-L162 PolarHBondContact N-O 2.96Å; N149-V164 HydrophobicContact CB-CG2 4.08Å
150P91.3Very high92.8Very high121 Ų12178.2 Ų78.279%0.78641%0.411SS*.THydrogen-bonded Turntrans-65.4-21.8178.7-20.834000113.8K148K148-P150 VanDerWaalsContact O-CD 3.31Å; K148-P150 WeakPolarHBondContact O-CD 3.43Å
151N90.3Very high92.5Very high143 Ų14381.7 Ų81.777%0.76543%0.427SS*.THydrogen-bonded Turntrans-100.57.8-173.2-61.9-35.7000113.6N149N149-N151 PolarHBondContact O-N 3.2Å; N149-N151 PolarHBondContact OD1-N 3.24Å
152A88.4Confident92.2Very high24 Ų2479.2 Ų79.220%0.19842%0.42CS..  trans-66.9142.4-179.500000111.6N149 E161 L162N149-A152 HydrophobicContact CB-CB 4.29Å; N149-A152 PolarHBondContact O-N 2.87Å; A152-E161 HydrophobicContact CB-CG 4.29Å; A152-L162 HydrophobicContact CB-CD2 4.03Å
153A89.3Confident92.1Very high41 Ų4182 Ų8234%0.33943%0.431SS..  trans-61.6143.2174.300000110.8D155 S156 E161A153-D155 WeakPolarHBondContact CB-OD1 3.45Å; A153-D155 PolarHBondContact O-N 2.91Å; A153-S156 WeakPolarHBondContact O-CB 3.49Å; A153-S156 PolarHBondContact O-N 3.37Å; A153-S156 VanDerWaalsContact O-N 3.1Å; A153-E161 VanDerWaalsContact CB-OE1 3.28Å; A153-E161 WeakPolarHBondContact CB-OE1 3.27Å; A153-E161 PolarHBondContact N-OE1 2.89Å
154K78.9Confident92Very high222 Ų22280 Ų8097%0.96543%0.426SS*.THydrogen-bonded Turntrans-65.2-21.4-173.6-67.5-179-179.8176.80113.4
155D86.7Confident91.9Very high143 Ų14383.3 Ų83.377%0.76544%0.443SS*.THydrogen-bonded Turntrans-105-0.8-179.758.8-30.6000113A153 S157A153-D155 WeakPolarHBondContact CB-OD1 3.45Å; A153-D155 PolarHBondContact O-N 2.91Å; D155-S157 PolarHBondContact O-N 3.43Å
156S85.9Confident91.8Very high25 Ų2576.9 Ų76.918%0.17542%0.42CS..  trans-67.9133.5179.8-172.80000111.3A153 D158 E161A153-S156 WeakPolarHBondContact O-CB 3.49Å; A153-S156 PolarHBondContact O-N 3.37Å; A153-S156 VanDerWaalsContact O-N 3.1Å; S156-D158 PolarHBondContact OG-N 3.17Å; S156-E161 WeakPolarHBondContact CB-OE2 3.4Å; S156-E161 VanDerWaalsContact OG-CD 3.25Å; S156-E161 PolarHBondContact OG-OE2 2.92Å
157S87.9Confident91.9Very high109 Ų10979.6 Ų79.676%0.76243%0.431SS*.  trans-109.4-4.4172.654.70000112.7D155 P159D155-S157 PolarHBondContact O-N 3.43Å; S157-P159 WeakPolarHBondContact O-CD 3.27Å
158D92.6Very high91.9Very high70 Ų7076.4 Ų76.437%0.37441%0.412SS..  trans-78.4119.2-177.9-174.3-2.8000110.8S156 N160 E161 L162S156-D158 PolarHBondContact OG-N 3.17Å; D158-N160 PolarHBondContact O-N 3.21Å; D158-N160 VanDerWaalsContact O-N 3.13Å; D158-N160 WeakPolarHBondContact OD1-CB 3.34Å; D158-N160 PolarHBondContact OD1-N 3.31Å; D158-N160 PolarHBondContact OD1-ND2 3.2Å; D158-N160 PolarHBondContact OD2-ND2 3.09Å; D158-E161 HydrophobicContact CB-CB 4.43Å; D158-E161 PolarHBondContact O-N 2.86Å; D158-L162 WeakPolarHBondContact O-CG 3.34Å; D158-L162 PolarHBondContact O-N 2.92Å
159P91.5Very high92.1Very high44 Ų4471.8 Ų71.829%0.28639%0.39SS..Hα-helixtrans-54.7-28172.9-26.436.6000114.4S157 E161 Y163 H166S157-P159 WeakPolarHBondContact O-CD 3.27Å; P159-E161 VanDerWaalsContact C-N 3.3Å; P159-Y163 HydrophobicContact CB-CD2 3.94Å; P159-Y163 HydrophobicContact CB-CE2 4.18Å; P159-Y163 PolarHBondContact O-N 3.16Å; P159-H166 PolarHBondContact O-CE1 3.09Å; P159-H166 PolarHBondContact O-ND1 3.33Å
160N92.8Very high92.3Very high89 Ų8969.6 Ų69.648%0.47638%0.379SS..Hα-helixtrans-69.4-28.7177.8-53.8-59.3000112.6D158 H166 K167D158-N160 PolarHBondContact O-N 3.21Å; D158-N160 VanDerWaalsContact O-N 3.13Å; D158-N160 WeakPolarHBondContact OD1-CB 3.34Å; D158-N160 PolarHBondContact OD1-N 3.31Å; D158-N160 PolarHBondContact OD1-ND2 3.2Å; D158-N160 PolarHBondContact OD2-ND2 3.09Å; N160-H166 PolarHBondContact OD1-CE1 3.3Å; N160-H166 VanDerWaalsContact OD1-CE1 3.32Å; N160-K167 PolarHBondContact OD1-NZ 3.25Å
161E92.3Very high92.6Very high73 Ų7370.9 Ų70.934%0.34137%0.368SS..Hα-helixtrans-87.7-40.5175.2-168.2-174.816100111N149 A152 A153 S156 D158 P159N149-E161 WeakPolarHBondContact CB-O 3.45Å; N149-E161 PolarHBondContact ND2-O 3.43Å; A152-E161 HydrophobicContact CB-CG 4.29Å; A153-E161 VanDerWaalsContact CB-OE1 3.28Å; A153-E161 WeakPolarHBondContact CB-OE1 3.27Å; A153-E161 PolarHBondContact N-OE1 2.89Å; S156-E161 WeakPolarHBondContact CB-OE2 3.4Å; S156-E161 VanDerWaalsContact OG-CD 3.25Å; S156-E161 PolarHBondContact OG-OE2 2.92Å; D158-E161 HydrophobicContact CB-CB 4.43Å; D158-E161 PolarHBondContact O-N 2.86Å; P159-E161 VanDerWaalsContact C-N 3.3Å
162L92.8Very high93Very high43 Ų4365.8 Ų65.823%0.22534%0.34CS..Hα-helixtrans-70.8-31.5-175.2-68.6172.5000113.7N149 A152 D158N149-L162 WeakPolarHBondContact CB-O 3.32Å; N149-L162 PolarHBondContact N-O 2.96Å; A152-L162 HydrophobicContact CB-CD2 4.03Å; D158-L162 WeakPolarHBondContact O-CG 3.34Å; D158-L162 PolarHBondContact O-N 2.92Å
163Y95.4Very high93.4Very high58 Ų5865.3 Ų65.323%0.22733%0.333CS..EExtended strand (participates in β ladder)trans-133132-167.6-47.9-48.3000113.3K148 P159 H166 P204K148-Y163 HydrophobicContact CG-CD1 4.47Å; P159-Y163 HydrophobicContact CB-CD2 3.94Å; P159-Y163 HydrophobicContact CB-CE2 4.18Å; P159-Y163 PolarHBondContact O-N 3.16Å; Y163-H166 HydrophobicContact CD2-CB 4.36Å; Y163-H166 HydrophobicContact CG-CB 4.41Å; Y163-H166 PolarHBondContact O-ND1 3.16Å; Y163-H166 VanDerWaalsContact O-ND1 3.13Å; Y163-P204 HydrophobicContact CD1-CG 3.29Å; Y163-P204 HydrophobicContact CE1-CG 3.54Å; Y163-P204 HydrophobicContact CG-CG 4.05Å
164V95.4Very high93.9Very high60 Ų6067.7 Ų67.736%0.36434%0.344SS..EExtended strand (participates in β ladder)trans-91.5136.8173-1750000109T147 N149 H166T147-V164 PolarHBondContact N-O 2.66Å; T147-V164 PolarHBondContact O-N 2.86Å; N149-V164 HydrophobicContact CB-CG2 4.08Å; V164-H166 PolarHBondContact O-N 2.9Å
165N96.6Very high94.8Very high73 Ų7359.2 Ų59.239%0.3931%0.306SS..THydrogen-bonded Turntrans58.326.6-180-61.2-24000115.1V144 K167V144-N165 HydrophobicContact CG1-CB 3.77Å; N165-K167 PolarHBondContact O-N 2.9Å
166H97.3Very high95.3Very high11 Ų1154.8 Ų54.85%0.05128%0.284CS..  trans-73.8-12.7177.178.8-81.1000113.5P159 N160 Y163 V164 Q201 L202P159-H166 PolarHBondContact O-CE1 3.09Å; P159-H166 PolarHBondContact O-ND1 3.33Å; N160-H166 PolarHBondContact OD1-CE1 3.3Å; N160-H166 VanDerWaalsContact OD1-CE1 3.32Å; Y163-H166 HydrophobicContact CD2-CB 4.36Å; Y163-H166 HydrophobicContact CG-CB 4.41Å; Y163-H166 PolarHBondContact O-ND1 3.16Å; Y163-H166 VanDerWaalsContact O-ND1 3.13Å; V164-H166 PolarHBondContact O-N 2.9Å; H166-Q201 CarbonylContact O-C 3.55Å; H166-Q201 WeakPolarHBondContact O-CA 3.27Å; H166-Q201 WeakPolarHBondContact O-CG 3.26Å; H166-L202 PolarHBondContact O-N 3.34Å
167K98.1Very high95.8Very high58 Ų5856.3 Ų56.325%0.25229%0.293SS..EExtended strand (participates in β ladder)trans-116.5120.7170.6-72.7167-177167.50108.5N160 N165 Y169 L198 Q201N160-K167 PolarHBondContact OD1-NZ 3.25Å; N165-K167 PolarHBondContact O-N 2.9Å; K167-Y169 HydrophobicContact CB-CD2 4.09Å; K167-Y169 HydrophobicContact CB-CE2 3.49Å; K167-Y169 VanDerWaalsContact CB-CE2 3.49Å; K167-Y169 HydrophobicContact CD-CE2 4.17Å; K167-Y169 WeakPolarHBondContact CD-OH 3.32Å; K167-Y169 HydrophobicContact CG-CE2 4.44Å; K167-L198 HydrophobicContact CB-CD1 3.87Å; K167-L198 HydrophobicContact CG-CD1 4.16Å; K167-Q201 HydrophobicContact CG-CG 4.36Å
168V98.2Very high96.1Very high0 Ų053.3 Ų53.30%027%0.268CS..EExtended strand (participates in β ladder)trans-92.3110.8178-176.50000107.9L142 V144 I199 A200 L202 I208L142-V168 HydrophobicContact CD1-CG1 4.01Å; L142-V168 HydrophobicContact CD2-CG1 4.16Å; L142-V168 HydrophobicContact CG-CG1 4.5Å; V144-V168 HydrophobicContact CB-CG2 4.24Å; V144-V168 HydrophobicContact CG1-CG2 4.04Å; V144-V168 HydrophobicContact CG2-CG1 4.08Å; V168-I199 HydrophobicContact CG1-CB 4.29Å; V168-I199 HydrophobicContact CG1-CD1 4.48Å; V168-I199 PolarHBondContact O-N 3.39Å; V168-A200 HydrophobicContact CB-CB 4.31Å; V168-A200 WeakPolarHBondContact CB-O 3.44Å; V168-A200 HydrophobicContact CG2-CB 4.4Å; V168-A200 PolarHBondContact N-O 3.28Å; V168-L202 HydrophobicContact CG2-CD1 3.64Å; V168-L202 HydrophobicContact CG2-CG 3.84Å; V168-I208 HydrophobicContact CG2-CD1 4.4Å
169Y98.5Very high96.1Very high55 Ų5552.7 Ų52.722%0.21628%0.279CS..EExtended strand (participates in β ladder)trans-102.4158.2176.4-69.4-76.2000110.6K167 R171 H172 D196 I197 L198K167-Y169 HydrophobicContact CB-CD2 4.09Å; K167-Y169 HydrophobicContact CB-CE2 3.49Å; K167-Y169 VanDerWaalsContact CB-CE2 3.49Å; K167-Y169 HydrophobicContact CD-CE2 4.17Å; K167-Y169 WeakPolarHBondContact CD-OH 3.32Å; K167-Y169 HydrophobicContact CG-CE2 4.44Å; Y169-R171 VanDerWaalsContact C-N 3.25Å; Y169-R171 VanDerWaalsContact CD2-NH2 3.3Å; Y169-R171 PolarHBondContact O-N 2.92Å; Y169-H172 PolarHBondContact N-ND1 3.3Å; Y169-H172 WeakPolarHBondContact O-CB 3.33Å; Y169-H172 PolarHBondContact O-N 2.96Å; Y169-H172 PolarHBondContact O-ND1 3.34Å; Y169-D196 WeakPolarHBondContact CD1-O 3.46Å; Y169-D196 WeakPolarHBondContact CE1-O 3.42Å; Y169-I197 WeakPolarHBondContact CA-O 3.27Å; Y169-L198 HydrophobicContact CD1-CB 4.42Å; Y169-L198 HydrophobicContact CD1-CD1 4.35Å; Y169-L198 HydrophobicContact CE1-CB 4.21Å; Y169-L198 HydrophobicContact CE1-CD1 4.06Å
170T98.1Very high96.2Very high0 Ų055.8 Ų55.80%029%0.293CS..G310 helixtrans-63.9-24.1178.3-174.60000114.1H172 M173 P192 H194 D195 I197T170-H172 PolarHBondContact O-N 2.75Å; T170-M173 WeakPolarHBondContact O-CB 3.43Å; T170-M173 VanDerWaalsContact O-CG 3.23Å; T170-M173 WeakPolarHBondContact O-CG 3.43Å; T170-M173 PolarHBondContact O-N 2.78Å; T170-M173 PolarHBondContact OG1-SD 2.66Å; T170-P192 HydrophobicContact CG2-CB 4.32Å; T170-P192 HydrophobicContact CG2-CG 4.38Å; T170-P192 WeakPolarHBondContact OG1-CB 3.44Å; T170-P192 WeakPolarHBondContact OG1-CG 3.3Å; T170-H194 WeakPolarHBondContact CG2-O 2.87Å; T170-D195 WeakPolarHBondContact CG2-O 3.41Å; T170-I197 HydrophobicContact CG2-CB 3.79Å; T170-I197 HydrophobicContact CG2-CG1 4.27Å; T170-I197 PolarHBondContact N-O 2.93Å
171R97.9Very high96.3Very high148 Ų14851.9 Ų51.956%0.55827%0.271SS*.G310 helixtrans-56.4-15.3166.162.7-177.3161.9102.2-2.2115.7Y169 M173 D195Y169-R171 VanDerWaalsContact C-N 3.25Å; Y169-R171 VanDerWaalsContact CD2-NH2 3.3Å; Y169-R171 PolarHBondContact O-N 2.92Å; R171-M173 VanDerWaalsContact C-N 3.26Å; R171-D195 HydrophobicContact CB-CB 4.19Å; R171-D195 VanDerWaalsContact CB-O 3.3Å; R171-D195 WeakPolarHBondContact CB-O 3.48Å; R171-D195 WeakPolarHBondContact CG-O 3.09Å; R171-D195 PolarHBondContact N-O 2.86Å; R171-D195 VanDerWaalsContact N-O 3.07Å
172H98.1Very high96.4Very high36 Ų3651 Ų5117%0.16728%0.277CS..G310 helixtrans-81.9-5.8173.2-56.6151.5000112.7L142 V144 Y169 T170 T174L142-H172 HydrophobicContact CD1-CB 3.65Å; V144-H172 HydrophobicContact CG2-CB 3.74Å; Y169-H172 PolarHBondContact N-ND1 3.3Å; Y169-H172 WeakPolarHBondContact O-CB 3.33Å; Y169-H172 PolarHBondContact O-N 2.96Å; Y169-H172 PolarHBondContact O-ND1 3.34Å; T170-H172 PolarHBondContact O-N 2.75Å; H172-T174 PolarHBondContact O-N 2.83Å
173M98.2Very high96.4Very high13 Ų1355.9 Ų55.96%0.06430%0.303CS..EExtended strand (participates in β ladder)trans-74120.3173.1-63.3171.554.900109I113 I115 F140 L142 T170 R171 P192 I199 M212I113-M173 HydrophobicContact CD1-SD 3.81Å; I113-M173 HydrophobicContact CG2-SD 4.41Å; I115-M173 HydrophobicContact CD1-CE 4.11Å; F140-M173 HydrophobicContact CB-CE 4.34Å; F140-M173 HydrophobicContact CD1-CB 4.23Å; F140-M173 HydrophobicContact CD1-CE 4.31Å; F140-M173 HydrophobicContact CG-CE 4.23Å; L142-M173 HydrophobicContact CD1-CG 4.32Å; T170-M173 WeakPolarHBondContact O-CB 3.43Å; T170-M173 VanDerWaalsContact O-CG 3.23Å; T170-M173 WeakPolarHBondContact O-CG 3.43Å; T170-M173 PolarHBondContact O-N 2.78Å; T170-M173 PolarHBondContact OG1-SD 2.66Å; R171-M173 VanDerWaalsContact C-N 3.26Å; M173-P192 HydrophobicContact SD-CB 4.49Å; M173-I199 HydrophobicContact SD-CD1 4.3Å; M173-M212 HydrophobicContact CE-CE 3.93Å; M173-M212 HydrophobicContact CE-SD 3.92Å; M173-M212 HydrophobicContact CG-CE 4.08Å
174T97.9Very high96.3Very high91 Ų9157.8 Ų57.856%0.55832%0.321SS*.EExtended strand (participates in β ladder)trans-106.4126.2178-52.80000108.9F140 R141 H172F140-T174 CarbonylContact C-O 3.59Å; F140-T174 WeakPolarHBondContact CA-O 3.26Å; R141-T174 PolarHBondContact N-O 3.34Å; R141-T174 PolarHBondContact O-N 3.02Å; H172-T174 PolarHBondContact O-N 2.83Å
175W98.2Very high96.2Very high45 Ų4555.9 Ų55.917%0.1731%0.308CS..EExtended strand (participates in β ladder)trans-68.4134.5173.4174.150.8000110.4Q139 F140 P177 Q181 F185 I190Q139-W175 VanDerWaalsContact O-CD1 3.28Å; F140-W175 HydrophobicContact CD1-CB 4.11Å; F140-W175 HydrophobicContact CE1-CB 3.81Å; F140-W175 HydrophobicContact CZ-CB 4.42Å; W175-P177 HydrophobicContact CH2-CB 3.88Å; W175-P177 HydrophobicContact CZ2-CB 3.67Å; W175-P177 HydrophobicContact CZ3-CB 4.41Å; W175-Q181 HydrophobicContact CH2-CB 4.44Å; W175-Q181 HydrophobicContact CZ2-CB 3.89Å; W175-F185 HydrophobicContact CH2-CB 3.86Å; W175-F185 HydrophobicContact CH2-CD2 4.49Å; W175-F185 HydrophobicContact CZ2-CB 4.44Å; W175-F185 HydrophobicContact CZ2-CD2 4.36Å; W175-I190 HydrophobicContact CB-CG2 4.33Å; W175-I190 HydrophobicContact CD2-CB 3.89Å; W175-I190 HydrophobicContact CD2-CG1 4.49Å; W175-I190 HydrophobicContact CD2-CG2 3.96Å; W175-I190 HydrophobicContact CE3-CB 4.22Å; W175-I190 HydrophobicContact CG-CB 4.11Å; W175-I190 HydrophobicContact CG-CG2 3.71Å; W175-I190 HydrophobicContact CH2-CG1 4.49Å; W175-I190 HydrophobicContact CZ2-CG1 4.22Å
176V97Very high96.1Very high49 Ų4956.7 Ų56.730%0.29732%0.317SS..EExtended strand (participates in β ladder)trans-115.3103.4176.1-176.80000107.1Q139 R141Q139-V176 HydrophobicContact CB-CB 4.37Å; Q139-V176 HydrophobicContact CG-CB 4.24Å; Q139-V176 PolarHBondContact O-N 3.47Å; R141-V176 HydrophobicContact CB-CG2 3.93Å
177P96.1Very high95.8Very high57 Ų5765.4 Ų65.437%0.3736%0.357SS..  trans-67.9142.1-177.526.1-33000111.4W175 Q181 A182W175-P177 HydrophobicContact CH2-CB 3.88Å; W175-P177 HydrophobicContact CZ2-CB 3.67Å; W175-P177 HydrophobicContact CZ3-CB 4.41Å; P177-Q181 HydrophobicContact CB-CB 4.29Å; P177-A182 HydrophobicContact CB-CB 3.94Å; P177-A182 HydrophobicContact CG-CB 4.07Å
178L94.7Very high95.3Very high46 Ų4665.1 Ų65.124%0.24137%0.371CS..  trans-108.5139.1174.5-61.8171.1000110.1T137 Q139 N180 Q181T137-L178 HydrophobicContact CG2-CD1 3.25Å; Q139-L178 HydrophobicContact CB-CD1 4.29Å; Q139-L178 HydrophobicContact CB-CG 4.45Å; L178-N180 PolarHBondContact O-N 3.28Å; L178-Q181 VanDerWaalsContact O-CB 3.31Å; L178-Q181 WeakPolarHBondContact O-CB 3.38Å; L178-Q181 WeakPolarHBondContact O-CG 3.44Å; L178-Q181 PolarHBondContact O-N 3.43Å; L178-Q181 VanDerWaalsContact O-N 3.08Å
179G93.5Very high95.1Very high58 Ų5867.7 Ų67.760%0.59839%0.387SS*.THydrogen-bonded Turntrans53.2-124.5-179.900000112.1
180N93.4Very high95Very high109 Ų10965.5 Ų65.558%0.58338%0.379SS*.THydrogen-bonded Turntrans-9310.4-177.6-59.7-22.8000113.9L178 A182 D183 V184L178-N180 PolarHBondContact O-N 3.28Å; N180-A182 PolarHBondContact O-N 3.22Å; N180-D183 PolarHBondContact O-N 3.27Å; N180-V184 PolarHBondContact O-N 3.38Å
181Q94.4Very high95Very high6 Ų669.6 Ų69.63%0.02839%0.394CS..Hα-helixtrans-59.8-30.1-176.8-73.5179-10.900113.2E134 T137 W175 P177 L178 D183 V184 F185E134-Q181 HydrophobicContact CB-CG 4.29Å; E134-Q181 PolarHBondContact O-NE2 3.01Å; T137-Q181 PolarHBondContact O-NE2 3.29Å; W175-Q181 HydrophobicContact CH2-CB 4.44Å; W175-Q181 HydrophobicContact CZ2-CB 3.89Å; P177-Q181 HydrophobicContact CB-CB 4.29Å; L178-Q181 VanDerWaalsContact O-CB 3.31Å; L178-Q181 WeakPolarHBondContact O-CB 3.38Å; L178-Q181 WeakPolarHBondContact O-CG 3.44Å; L178-Q181 PolarHBondContact O-N 3.43Å; L178-Q181 VanDerWaalsContact O-N 3.08Å; Q181-D183 PolarHBondContact O-N 2.95Å; Q181-V184 PolarHBondContact O-N 3.48Å; Q181-F185 HydrophobicContact CB-CD2 4.1Å; Q181-F185 HydrophobicContact CB-CE2 4.44Å; Q181-F185 HydrophobicContact CG-CD2 4.45Å; Q181-F185 HydrophobicContact CG-CE2 4.29Å; Q181-F185 WeakPolarHBondContact O-CD2 3.49Å; Q181-F185 PolarHBondContact O-N 3.18Å
182A93.8Very high95Very high56 Ų5662.7 Ų62.746%0.46337%0.369SS..Hα-helixtrans-62-29.6177.200000113.2P177 N180P177-A182 HydrophobicContact CB-CB 3.94Å; P177-A182 HydrophobicContact CG-CB 4.07Å; N180-A182 PolarHBondContact O-N 3.22Å
183D93Very high95Very high144 Ų14462 Ų6277%0.7737%0.367SS*.Hα-helixtrans-85.4-28.9177.3-61.6-43.5000112N180 Q181N180-D183 PolarHBondContact O-N 3.27Å; Q181-D183 PolarHBondContact O-N 2.95Å
184V93.6Very high94.9Very high98 Ų9865.1 Ų65.159%0.59438%0.381SS*.Hα-helixtrans-77.6-40.8-179.3177.80000111.5N180 Q181N180-V184 PolarHBondContact O-N 3.38Å; Q181-V184 PolarHBondContact O-N 3.48Å
185F94.6Very high94.8Very high21 Ų2164.6 Ų64.69%0.09238%0.375CS..SBendtrans-109.2114.3-174.5-62.4-71.2000110.9L121 F122 W175 Q181 I190L121-F185 HydrophobicContact CB-CZ 4.47Å; L121-F185 HydrophobicContact CD1-CE1 3.66Å; L121-F185 HydrophobicContact CD1-CZ 4.15Å; F122-F185 HydrophobicContact CE1-CE2 4.34Å; F122-F185 HydrophobicContact CE1-CZ 4.27Å; F122-F185 HydrophobicContact CE2-CZ 4.01Å; F122-F185 HydrophobicContact CZ-CE1 4.36Å; F122-F185 AromaticContact CZ-CE2 3.83Å; F122-F185 HydrophobicContact CZ-CE2 3.83Å; F122-F185 AromaticContact CZ-CZ 3.48Å; F122-F185 HydrophobicContact CZ-CZ 3.48Å; F122-F185 VanDerWaalsContact CZ-CZ 3.48Å; W175-F185 HydrophobicContact CH2-CB 3.86Å; W175-F185 HydrophobicContact CH2-CD2 4.49Å; W175-F185 HydrophobicContact CZ2-CB 4.44Å; W175-F185 HydrophobicContact CZ2-CD2 4.36Å; Q181-F185 HydrophobicContact CB-CD2 4.1Å; Q181-F185 HydrophobicContact CB-CE2 4.44Å; Q181-F185 HydrophobicContact CG-CD2 4.45Å; Q181-F185 HydrophobicContact CG-CE2 4.29Å; Q181-F185 WeakPolarHBondContact O-CD2 3.49Å; Q181-F185 PolarHBondContact O-N 3.18Å; F185-I190 HydrophobicContact CB-CG1 3.95Å; F185-I190 HydrophobicContact CD1-CD1 3.93Å; F185-I190 HydrophobicContact CD1-CG1 4.17Å; F185-I190 HydrophobicContact CD2-CG1 4.37Å; F185-I190 HydrophobicContact CE1-CD1 4.22Å; F185-I190 HydrophobicContact CG-CD1 4.14Å; F185-I190 HydrophobicContact CG-CG1 3.91Å
186P93.6Very high94.8Very high89 Ų8967.9 Ų67.958%0.57840%0.396SS*.  trans-57.5150.9173.7-22.531.7000112.2G188 T189P186-G188 PolarHBondContact O-N 3.34Å; P186-T189 HydrophobicContact CB-CG2 4.01Å; P186-T189 HydrophobicContact CG-CG2 4.24Å; P186-T189 WeakPolarHBondContact O-CB 3.34Å; P186-T189 WeakPolarHBondContact O-CG2 3.16Å; P186-T189 PolarHBondContact O-N 3.21Å; P186-T189 VanDerWaalsContact O-N 3.15Å; P186-T189 PolarHBondContact O-OG1 3.28Å
187E90.7Very high94.9Very high194 Ų19468.1 Ų68.191%0.90740%0.395SS*.THydrogen-bonded Turntrans-53133.9176.9-67.9-177.2-175.700111.7T189E187-T189 VanDerWaalsContact C-N 3.33Å; E187-T189 PolarHBondContact O-N 2.65Å
188G88Confident95Very high53 Ų5368.7 Ų68.755%0.54639%0.394SS..THydrogen-bonded Turntrans84.5-5.3179.200000115.7P186 R191P186-G188 PolarHBondContact O-N 3.34Å; G188-R191 WeakPolarHBondContact O-CD 3.49Å
189T93.6Very high95.1Very high53 Ų5366.7 Ų66.733%0.32538%0.384SS..SBendtrans-77.3-35175.658.80000113P186 E187P186-T189 HydrophobicContact CB-CG2 4.01Å; P186-T189 HydrophobicContact CG-CG2 4.24Å; P186-T189 WeakPolarHBondContact O-CB 3.34Å; P186-T189 WeakPolarHBondContact O-CG2 3.16Å; P186-T189 PolarHBondContact O-N 3.21Å; P186-T189 VanDerWaalsContact O-N 3.15Å; P186-T189 PolarHBondContact O-OG1 3.28Å; E187-T189 VanDerWaalsContact C-N 3.33Å; E187-T189 PolarHBondContact O-N 2.65Å
190I97.3Very high95.4Very high9 Ų964.1 Ų64.15%0.04636%0.357CS..SBendtrans-99.4105.3175.3-55.5-59.7000109.6L116 A117 L138 F140 W175 F185L116-I190 WeakPolarHBondContact O-CA 3.49Å; A117-I190 HydrophobicContact CB-CD1 3.81Å; L138-I190 HydrophobicContact CD1-CD1 4.26Å; L138-I190 HydrophobicContact CD1-CG2 4.01Å; L138-I190 HydrophobicContact CD2-CG2 4.28Å; F140-I190 HydrophobicContact CE1-CG2 4.38Å; F140-I190 HydrophobicContact CE2-CG2 4.21Å; F140-I190 HydrophobicContact CZ-CG2 3.6Å; W175-I190 HydrophobicContact CB-CG2 4.33Å; W175-I190 HydrophobicContact CD2-CB 3.89Å; W175-I190 HydrophobicContact CD2-CG1 4.49Å; W175-I190 HydrophobicContact CD2-CG2 3.96Å; W175-I190 HydrophobicContact CE3-CB 4.22Å; W175-I190 HydrophobicContact CG-CB 4.11Å; W175-I190 HydrophobicContact CG-CG2 3.71Å; W175-I190 HydrophobicContact CH2-CG1 4.49Å; W175-I190 HydrophobicContact CZ2-CG1 4.22Å; F185-I190 HydrophobicContact CB-CG1 3.95Å; F185-I190 HydrophobicContact CD1-CD1 3.93Å; F185-I190 HydrophobicContact CD1-CG1 4.17Å; F185-I190 HydrophobicContact CD2-CG1 4.37Å; F185-I190 HydrophobicContact CE1-CD1 4.22Å; F185-I190 HydrophobicContact CG-CD1 4.14Å; F185-I190 HydrophobicContact CG-CG1 3.91Å
191R97.7Very high95.6Very high86 Ų8663.1 Ų63.133%0.32535%0.349SS..EExtended strand (participates in β ladder)trans-159165.4-178.760.3175.1-172.190.18.3111.2L116 G188 V193 D195L116-R191 WeakPolarHBondContact CA-O 3.43Å; L116-R191 HydrophobicContact CB-CG 4.23Å; L116-R191 VanDerWaalsContact CB-O 3.27Å; L116-R191 WeakPolarHBondContact CB-O 3.46Å; L116-R191 HydrophobicContact CD2-CG 4.03Å; L116-R191 PolarHBondContact N-O 3.07Å; G188-R191 WeakPolarHBondContact O-CD 3.49Å; R191-V193 PolarHBondContact NH1-O 3.43Å; R191-D195 IonicContact NH1-OD1 2.75Å; R191-D195 PolarHBondContact NH1-OD1 2.83Å; R191-D195 IonicContact NH1-OD2 3.3Å
192P98Very high95.7Very high4 Ų462.8 Ų62.83%0.02635%0.348CS..EExtended strand (participates in β ladder)trans-59144.3161.327.2-35.9000110.4I113 T170 M173I113-P192 HydrophobicContact CG2-CB 3.81Å; T170-P192 HydrophobicContact CG2-CB 4.32Å; T170-P192 HydrophobicContact CG2-CG 4.38Å; T170-P192 WeakPolarHBondContact OG1-CB 3.44Å; T170-P192 WeakPolarHBondContact OG1-CG 3.3Å; M173-P192 HydrophobicContact SD-CB 4.49Å
193V97.3Very high95.9Very high20 Ų2065.2 Ų65.212%0.12135%0.345CS..SBendtrans-63.8-53.2-176.7173.40000111.3P114 L116 R191 V315P114-V193 HydrophobicContact CB-CB 4.31Å; P114-V193 HydrophobicContact CB-CG2 3.9Å; P114-V193 HydrophobicContact CG-CB 4.03Å; P114-V193 HydrophobicContact CG-CG2 4.18Å; P114-V193 WeakPolarHBondContact O-CG2 3.45Å; P114-V193 PolarHBondContact O-N 2.99Å; L116-V193 HydrophobicContact CB-CG2 4.03Å; L116-V193 HydrophobicContact CD1-CG2 4.49Å; R191-V193 PolarHBondContact NH1-O 3.43Å; V193-V315 HydrophobicContact CG2-CG2 4.31Å
194H97.3Very high96.1Very high79 Ų7960.4 Ų60.437%0.36632%0.321SS..SBendtrans-97.6131.4178.1-54.8-73.2000108.6T170 I197T170-H194 WeakPolarHBondContact CG2-O 2.87Å; H194-I197 HydrophobicContact CB-CD1 3.94Å; H194-I197 HydrophobicContact CB-CG1 3.92Å
195D95.7Very high96.1Very high80 Ų8059.1 Ų59.143%0.42833%0.328SS..SBendtrans-86.6-9.4-174.2-72.9-18.1000113.8T170 R171 R191T170-D195 WeakPolarHBondContact CG2-O 3.41Å; R171-D195 HydrophobicContact CB-CB 4.19Å; R171-D195 VanDerWaalsContact CB-O 3.3Å; R171-D195 WeakPolarHBondContact CB-O 3.48Å; R171-D195 WeakPolarHBondContact CG-O 3.09Å; R171-D195 PolarHBondContact N-O 2.86Å; R171-D195 VanDerWaalsContact N-O 3.07Å; R191-D195 IonicContact NH1-OD1 2.75Å; R191-D195 PolarHBondContact NH1-OD1 2.83Å; R191-D195 IonicContact NH1-OD2 3.3Å
196D97.8Very high96.3Very high115 Ų11559.5 Ų59.562%0.61533%0.33SS*.  trans-117.29.6-165.169-29.3000114.8Y169 L198Y169-D196 WeakPolarHBondContact CD1-O 3.46Å; Y169-D196 WeakPolarHBondContact CE1-O 3.42Å; D196-L198 PolarHBondContact O-N 3.23Å
197I98.5Very high96.5Very high54 Ų5456.4 Ų56.428%0.27731%0.308SS..  trans-64.1121.7173.3-58.6173.1000109.6I113 Y169 T170 H194 I199I113-I197 HydrophobicContact CG2-CD1 4.44Å; Y169-I197 WeakPolarHBondContact CA-O 3.27Å; T170-I197 HydrophobicContact CG2-CB 3.79Å; T170-I197 HydrophobicContact CG2-CG1 4.27Å; T170-I197 PolarHBondContact N-O 2.93Å; H194-I197 HydrophobicContact CB-CD1 3.94Å; H194-I197 HydrophobicContact CB-CG1 3.92Å; I197-I199 PolarHBondContact O-N 3.38Å
198L98.6Very high96.9Very high68 Ų6847.1 Ų47.136%0.35627%0.265SS..EExtended strand (participates in β ladder)trans-76.1119.7175.5-175.769.7000110.5R109 K167 Y169 D196R109-L198 PolarHBondContact NH2-O 2.97Å; K167-L198 HydrophobicContact CB-CD1 3.87Å; K167-L198 HydrophobicContact CG-CD1 4.16Å; Y169-L198 HydrophobicContact CD1-CB 4.42Å; Y169-L198 HydrophobicContact CD1-CD1 4.35Å; Y169-L198 HydrophobicContact CE1-CB 4.21Å; Y169-L198 HydrophobicContact CE1-CD1 4.06Å; D196-L198 PolarHBondContact O-N 3.23Å
199I98.1Very high97.4Very high5 Ų545.5 Ų45.53%0.02624%0.243CC..EExtended strand (participates in β ladder)trans-92.9-55.6-178.3-58.6171.4000110L106 R109 L110 I113 L142 V168 M173 I197L106-I199 HydrophobicContact CD1-CG2 3.45Å; L106-I199 VanDerWaalsContact CD1-CG2 3.45Å; R109-I199 PolarHBondContact NE-O 3.44Å; L110-I199 HydrophobicContact CD2-CD1 3.85Å; L110-I199 HydrophobicContact CD2-CG1 4.4Å; L110-I199 HydrophobicContact CD2-CG2 3.83Å; L110-I199 HydrophobicContact CG-CG2 4.36Å; I113-I199 HydrophobicContact CD1-CD1 3.89Å; I113-I199 HydrophobicContact CD1-CG1 3.99Å; L142-I199 HydrophobicContact CD2-CD1 4.16Å; V168-I199 HydrophobicContact CG1-CB 4.29Å; V168-I199 HydrophobicContact CG1-CD1 4.48Å; V168-I199 PolarHBondContact O-N 3.39Å; M173-I199 HydrophobicContact SD-CD1 4.3Å; I197-I199 PolarHBondContact O-N 3.38Å
200A98Very high97.6Very high4 Ų443 Ų433%0.03323%0.228CC..EExtended strand (participates in β ladder)trans-147.7162.6-176.500000111V101 L106 V168 I208V101-A200 HydrophobicContact CG2-CB 4.02Å; L106-A200 HydrophobicContact CD1-CB 4.41Å; V168-A200 HydrophobicContact CB-CB 4.31Å; V168-A200 WeakPolarHBondContact CB-O 3.44Å; V168-A200 HydrophobicContact CG2-CB 4.4Å; V168-A200 PolarHBondContact N-O 3.28Å; A200-I208 HydrophobicContact CB-CD1 3.77Å
201Q97.9Very high97.6Very high87 Ų8743.1 Ų43.141%0.40723%0.229SC..EExtended strand (participates in β ladder)trans-123.5133.6173.8-159.7-179.211.200109.7H166 K167H166-Q201 CarbonylContact O-C 3.55Å; H166-Q201 WeakPolarHBondContact O-CA 3.27Å; H166-Q201 WeakPolarHBondContact O-CG 3.26Å; K167-Q201 HydrophobicContact CG-CG 4.36Å
202L97.8Very high97.7Very high0 Ų039 Ų390%021%0.214CC..  trans-115.6166.7-171.9-58.6-179.8000112V144 C146 H166 V168 Q206 I208V144-L202 HydrophobicContact CG1-CD1 4.21Å; C146-L202 HydrophobicContact CB-CB 3.6Å; C146-L202 HydrophobicContact CB-CD1 4Å; C146-L202 HydrophobicContact CB-CG 4.47Å; H166-L202 PolarHBondContact O-N 3.34Å; V168-L202 HydrophobicContact CG2-CD1 3.64Å; V168-L202 HydrophobicContact CG2-CG 3.84Å; L202-Q206 HydrophobicContact CB-CB 4.43Å; L202-Q206 HydrophobicContact CD2-CB 4.13Å; L202-I208 HydrophobicContact CD2-CD1 3.98Å; L202-I208 HydrophobicContact CD2-CG1 4.17Å
203R97.4Very high97.6Very high107 Ų10739.8 Ų39.840%0.40422%0.217SC..  trans-125.2158.5164.3-69.6-63.8-179-84.1-0.8110.5C146 G205 Q206C146-R203 WeakPolarHBondContact CB-O 3.37Å; R203-G205 PolarHBondContact O-N 3.37Å; R203-Q206 VanDerWaalsContact O-CB 3.32Å; R203-Q206 WeakPolarHBondContact O-CB 3.36Å; R203-Q206 WeakPolarHBondContact O-CG 3.33Å; R203-Q206 PolarHBondContact O-N 3.02Å
204P96.7Very high97.7Very high42 Ų4238.8 Ų38.827%0.27321%0.211SC..THydrogen-bonded Turntrans-55.1132.7-176.8-27.234.9000112.6C146 K148 Y163C146-P204 WeakPolarHBondContact O-CA 3.36Å; K148-P204 HydrophobicContact CG-CB 3.74Å; K148-P204 HydrophobicContact CG-CG 3.64Å; Y163-P204 HydrophobicContact CD1-CG 3.29Å; Y163-P204 HydrophobicContact CE1-CG 3.54Å; Y163-P204 HydrophobicContact CG-CG 4.05Å
205G94.8Very high97.7Very high72 Ų7235.2 Ų35.274%0.74220%0.195SC*.THydrogen-bonded Turntrans96-12.6-174.900000114.3C146 R203C146-G205 PolarHBondContact O-N 3.06Å; C146-G205 VanDerWaalsContact O-N 3.09Å; R203-G205 PolarHBondContact O-N 3.37Å
206Q97.9Very high97.8Very high29 Ų2933 Ų3314%0.13618%0.181CC..  trans-87.8151171.4-59-177.4-47.900111.8T98 C146 L202 R203T98-Q206 WeakPolarHBondContact O-CG 3.32Å; T98-Q206 PolarHBondContact O-NE2 3.21Å; T98-Q206 WeakPolarHBondContact OG1-CA 3.45Å; C146-Q206 PolarHBondContact N-O 3.48Å; L202-Q206 HydrophobicContact CB-CB 4.43Å; L202-Q206 HydrophobicContact CD2-CB 4.13Å; R203-Q206 VanDerWaalsContact O-CB 3.32Å; R203-Q206 WeakPolarHBondContact O-CB 3.36Å; R203-Q206 WeakPolarHBondContact O-CG 3.33Å; R203-Q206 PolarHBondContact O-N 3.02Å
207E97.6Very high97.8Very high23 Ų2327.9 Ų27.911%0.10716%0.156CC..EExtended strand (participates in β ladder)trans-144.4146.9-177.7179.8171.9-127.200110.7N96 T98 V144 R145N96-E207 PolarHBondContact ND2-OE2 3.47Å; T98-E207 PolarHBondContact N-O 3.33Å; T98-E207 PolarHBondContact OG1-N 3.08Å; T98-E207 PolarHBondContact OG1-O 2.87Å; T98-E207 VanDerWaalsContact OG1-O 3.09Å; V144-E207 WeakPolarHBondContact O-CA 3.17Å; R145-E207 HydrophobicContact CB-CG 4.42Å; R145-E207 IonicContact CZ-OE1 3.3Å; R145-E207 VanDerWaalsContact CZ-OE1 3.3Å; R145-E207 IonicContact CZ-OE2 3.55Å; R145-E207 IonicContact NE-OE1 3.02Å; R145-E207 PolarHBondContact NE-OE1 3.5Å; R145-E207 IonicContact NE-OE2 3.89Å; R145-E207 IonicContact NH2-OE1 2.79Å; R145-E207 PolarHBondContact NH2-OE1 3.14Å; R145-E207 IonicContact NH2-OE2 2.79Å; R145-E207 PolarHBondContact NH2-OE2 2.62Å
208I98.4Very high97.8Very high0 Ų027.6 Ų27.60%015%0.154CC..EExtended strand (participates in β ladder)trans-124.7121.7167.3-65.2177.4000107N96 L106 L142 Q143 V144 V168 A200 L202 L210N96-I208 CarbonylContact O-C 3.59Å; N96-I208 WeakPolarHBondContact O-CA 3.44Å; L106-I208 HydrophobicContact CD2-CD1 4.23Å; L106-I208 HydrophobicContact CD2-CG2 4.13Å; L142-I208 HydrophobicContact CD2-CG2 4.29Å; Q143-I208 CarbonylContact C-O 3.55Å; Q143-I208 VanDerWaalsContact CA-O 3.31Å; Q143-I208 WeakPolarHBondContact CA-O 3.27Å; V144-I208 PolarHBondContact N-O 3.43Å; V144-I208 PolarHBondContact O-N 3.02Å; V168-I208 HydrophobicContact CG2-CD1 4.4Å; A200-I208 HydrophobicContact CB-CD1 3.77Å; L202-I208 HydrophobicContact CD2-CD1 3.98Å; L202-I208 HydrophobicContact CD2-CG1 4.17Å; I208-L210 HydrophobicContact CG2-CD2 3.68Å; I208-L210 HydrophobicContact CG2-CG 4.1Å
209D98.4Very high97.8Very high18 Ų1825 Ų2510%0.09614%0.144CC..EExtended strand (participates in β ladder)trans-131.1116.5167.2-167.62.8000109.4Y95 N96 R141 L142 Q143Y95-D209 PolarHBondContact N-O 2.77Å; N96-D209 PolarHBondContact N-O 3.01Å; N96-D209 PolarHBondContact O-N 2.72Å; R141-D209 IonicContact CZ-OD1 3.25Å; R141-D209 IonicContact NE-OD1 2.65Å; R141-D209 PolarHBondContact NE-OD1 3.12Å; R141-D209 IonicContact NH2-OD1 3.44Å; R141-D209 PolarHBondContact NH2-OD1 3.03Å; R141-D209 IonicContact NH2-OD2 3.03Å; R141-D209 PolarHBondContact NH2-OD2 3.04Å; L142-D209 WeakPolarHBondContact O-CA 3.49Å; Q143-D209 HydrophobicContact CG-CB 4.19Å; Q143-D209 PolarHBondContact NE2-OD2 3.36Å
210L98.4Very high97.8Very high1 Ų131.2 Ų31.21%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-150.2159-17959.283.4000112.1V92 L93 V94 L106 L110 L142 I208 M212V92-L210 HydrophobicContact CG1-CB 4.22Å; V92-L210 HydrophobicContact CG1-CD1 4.11Å; V92-L210 HydrophobicContact CG1-CD2 4.16Å; V92-L210 HydrophobicContact CG1-CG 4.4Å; L93-L210 CarbonylContact O-C 3.39Å; L93-L210 VanDerWaalsContact O-CA 3.22Å; L93-L210 WeakPolarHBondContact O-CA 3.24Å; L93-L210 WeakPolarHBondContact O-CB 3.4Å; V94-L210 HydrophobicContact CG2-CB 4.41Å; L106-L210 HydrophobicContact CD2-CD2 3.62Å; L106-L210 HydrophobicContact CG-CD2 4.18Å; L110-L210 HydrophobicContact CD1-CD1 3.72Å; L110-L210 HydrophobicContact CD1-CD2 3.73Å; L110-L210 HydrophobicContact CD1-CG 4.43Å; L142-L210 HydrophobicContact CB-CD1 3.71Å; L142-L210 HydrophobicContact CB-CG 4.13Å; L142-L210 HydrophobicContact CD2-CD1 4.32Å; L142-L210 PolarHBondContact N-O 3.06Å; L142-L210 PolarHBondContact O-N 2.93Å; I208-L210 HydrophobicContact CG2-CD2 3.68Å; I208-L210 HydrophobicContact CG2-CG 4.1Å; L210-M212 HydrophobicContact CD1-CE 3.82Å; L210-M212 HydrophobicContact CD1-CG 3.71Å; L210-M212 HydrophobicContact CD1-SD 4Å
211V98.3Very high97.7Very high11 Ų1136.9 Ų36.97%0.06720%0.2CC..EExtended strand (participates in β ladder)trans-121.5136.8175.6167.70000109.2V92 L93 Y95 Q139 F140 R141V92-V211 CarbonylContact C-O 3.54Å; V92-V211 WeakPolarHBondContact CA-O 3.19Å; L93-V211 HydrophobicContact CB-CB 4.43Å; L93-V211 HydrophobicContact CD1-CG1 4.39Å; L93-V211 PolarHBondContact N-O 3.39Å; L93-V211 PolarHBondContact O-N 3.17Å; Y95-V211 HydrophobicContact CE2-CB 4.3Å; Y95-V211 HydrophobicContact CE2-CG2 3.66Å; Q139-V211 HydrophobicContact CG-CG1 3.7Å; Q139-V211 VanDerWaalsContact NE2-CG1 3.27Å; F140-V211 CarbonylContact O-C 3.53Å; F140-V211 WeakPolarHBondContact O-CA 3.2Å; R141-V211 HydrophobicContact CB-CG2 4.47Å; R141-V211 HydrophobicContact CG-CG2 4.19Å
212M98.3Very high97.8Very high0 Ų036.5 Ų36.50%020%0.198CC..EExtended strand (participates in β ladder)trans-117.3135.7-177.2-65.4163-8000109.5V89 K91 V92 L110 Q139 F140 L142 M173 L210V89-M212 HydrophobicContact CG1-CB 3.86Å; V89-M212 HydrophobicContact CG1-CG 4.03Å; V89-M212 HydrophobicContact CG2-CB 4.08Å; V89-M212 HydrophobicContact CG2-CG 4.41Å; V89-M212 HydrophobicContact CG2-SD 4.24Å; K91-M212 CarbonylContact O-C 3.54Å; K91-M212 WeakPolarHBondContact O-CA 3.48Å; V92-M212 HydrophobicContact CG2-CG 4.27Å; L110-M212 HydrophobicContact CB-SD 4.15Å; L110-M212 HydrophobicContact CD1-CG 4.3Å; L110-M212 HydrophobicContact CD1-SD 3.93Å; L110-M212 HydrophobicContact CD2-SD 3.83Å; L110-M212 HydrophobicContact CG-SD 4.18Å; Q139-M212 VanDerWaalsContact CA-O 3.32Å; Q139-M212 WeakPolarHBondContact CA-O 3.17Å; F140-M212 HydrophobicContact CB-CB 4.32Å; F140-M212 HydrophobicContact CB-CE 3.6Å; F140-M212 PolarHBondContact N-O 3.5Å; F140-M212 PolarHBondContact O-N 3.1Å; L142-M212 HydrophobicContact CB-CE 3.86Å; M173-M212 HydrophobicContact CE-CE 3.93Å; M173-M212 HydrophobicContact CE-SD 3.92Å; M173-M212 HydrophobicContact CG-CE 4.08Å; L210-M212 HydrophobicContact CD1-CE 3.82Å; L210-M212 HydrophobicContact CD1-CG 3.71Å; L210-M212 HydrophobicContact CD1-SD 4Å
213H97.7Very high97.8Very high20 Ų2040.2 Ų40.29%0.09323%0.229CC..EExtended strand (participates in β ladder)trans-108120.3169-61.1171.6000109.4E90 K91 L138 Q139E90-H213 PolarHBondContact N-O 3.05Å; K91-H213 HydrophobicContact CB-CB 4.21Å; K91-H213 PolarHBondContact N-O 3.3Å; K91-H213 PolarHBondContact O-N 3.26Å; L138-H213 WeakPolarHBondContact O-CA 3.49Å; Q139-H213 PolarHBondContact NE2-NE2 3.36Å
214C98.1Very high97.8Very high0 Ų037.3 Ų37.30%022%0.22CC..EExtended strand (participates in β ladder)trans-97.3135.4174.1-50.10000109.8A88 V89 T137 L138A88-C214 VanDerWaalsContact O-CA 3.23Å; A88-C214 WeakPolarHBondContact O-CA 3.35Å; V89-C214 VanDerWaalsContact CG2-SG 3.51Å; T137-C214 WeakPolarHBondContact CA-O 3.48Å; T137-C214 PolarHBondContact OG1-O 3.28Å; L138-C214 HydrophobicContact CB-CB 4.15Å; L138-C214 PolarHBondContact N-O 2.96Å; L138-C214 PolarHBondContact O-N 3.44Å
215V97.9Very high97.9Very high4 Ų435.4 Ų35.42%0.02421%0.207CC..EExtended strand (participates in β ladder)trans-131.6164.3178.9-59.40000110.4M87 A88 E90M87-V215 WeakPolarHBondContact CA-O 3.46Å; A88-V215 PolarHBondContact N-O 3.34Å; A88-V215 VanDerWaalsContact N-O 3.11Å; A88-V215 PolarHBondContact O-N 2.96Å; E90-V215 HydrophobicContact CB-CG2 3.9Å; E90-V215 WeakPolarHBondContact OE2-CG2 3.36Å
216K98.3Very high98Very high33 Ų3333.1 Ų33.114%0.14318%0.18CC..EExtended strand (participates in β ladder)trans-78.3129.5174.4-173.6173.3176.5167.20110.8P85 T86 M87 P119 F122 Y124P85-K216 HydrophobicContact CB-CG 4.06Å; T86-K216 WeakPolarHBondContact O-CA 3.45Å; M87-K216 HydrophobicContact SD-CB 3.7Å; M87-K216 HydrophobicContact SD-CG 4.41Å; P119-K216 WeakPolarHBondContact O-CD 3.1Å; P119-K216 VanDerWaalsContact O-CE 3.26Å; P119-K216 WeakPolarHBondContact O-CE 3.39Å; P119-K216 PolarHBondContact O-NZ 3.04Å; F122-K216 VanDerWaalsContact O-CD 3.22Å; F122-K216 WeakPolarHBondContact O-CD 3.43Å; F122-K216 PolarHBondContact O-NZ 2.59Å; Y124-K216 HydrophobicContact CD1-CB 4.36Å; Y124-K216 HydrophobicContact CD1-CD 4.46Å; Y124-K216 HydrophobicContact CD1-CG 4.15Å; Y124-K216 WeakPolarHBondContact CD1-O 3.38Å; Y124-K216 HydrophobicContact CD2-CD 4.41Å; Y124-K216 HydrophobicContact CE1-CD 4.33Å; Y124-K216 HydrophobicContact CE1-CG 3.88Å; Y124-K216 HydrophobicContact CE2-CD 4.27Å
217G97.9Very high98Very high8 Ų831.8 Ų31.88%0.08217%0.173CC..EExtended strand (participates in β ladder)trans-147.6172.5177.100000112.5P85 T86P85-G217 CarbonylContact C-O 3.41Å; P85-G217 WeakPolarHBondContact CA-O 3.49Å; P85-G217 VanDerWaalsContact CB-O 3.32Å; P85-G217 WeakPolarHBondContact CB-O 3.45Å; T86-G217 PolarHBondContact N-O 3.07Å; T86-G217 PolarHBondContact O-N 2.81Å
218I98.4Very high98.1Very high48 Ų4830.9 Ų30.925%0.24617%0.17CC..EExtended strand (participates in β ladder)trans-114.6148.4178.261.6172.1000111.2P85 Y124 K220 D221 H222 F225P85-I218 HydrophobicContact CB-CG2 4.08Å; Y124-I218 HydrophobicContact CE1-CG2 4.47Å; Y124-I218 WeakPolarHBondContact OH-CG2 3.25Å; I218-K220 HydrophobicContact CD1-CB 3.98Å; I218-K220 HydrophobicContact CG1-CB 4.25Å; I218-K220 PolarHBondContact O-N 3.32Å; I218-K220 VanDerWaalsContact O-N 3.09Å; I218-D221 HydrophobicContact CG1-CB 4.33Å; I218-D221 WeakPolarHBondContact O-CB 3.49Å; I218-D221 PolarHBondContact O-N 3.21Å; I218-H222 PolarHBondContact O-N 3.18Å; I218-F225 VanDerWaalsContact C-CB 3.48Å
219G97.5Very high98Very high13 Ų1334.2 Ų34.213%0.13420%0.197CC..THydrogen-bonded Turntrans-59.2-23.1-178.500000115.1A82 D221 H222A82-G219 CarbonylContact O-C 3.52Å; A82-G219 PolarHBondContact O-N 3.34Å; G219-D221 VanDerWaalsContact C-N 3.3Å; G219-D221 PolarHBondContact O-N 3.34Å; G219-H222 WeakPolarHBondContact CA-O 3.27Å; G219-H222 CarbonylContact O-C 3.59Å
220K97.9Very high97.8Very high135 Ų13536.1 Ų36.159%0.58721%0.209SC*.THydrogen-bonded Turntrans-66.2-32.4175.7-172.3-179.9-65.2169.90112.5A82 E83 I218A82-K220 HydrophobicContact CB-CB 4.2Å; A82-K220 VanDerWaalsContact O-CB 3.31Å; A82-K220 WeakPolarHBondContact O-CB 3.47Å; A82-K220 PolarHBondContact O-N 3.4Å; E83-K220 IonicContact OE1-NZ 3.02Å; E83-K220 PolarHBondContact OE1-NZ 2.93Å; I218-K220 HydrophobicContact CD1-CB 3.98Å; I218-K220 HydrophobicContact CG1-CB 4.25Å; I218-K220 PolarHBondContact O-N 3.32Å; I218-K220 VanDerWaalsContact O-N 3.09Å
221D97.1Very high97.8Very high123 Ų12336.2 Ų36.266%0.65821%0.21SC*.THydrogen-bonded Turntrans-76-52176.8178.166.4000110.3I218 G219I218-D221 HydrophobicContact CG1-CB 4.33Å; I218-D221 WeakPolarHBondContact O-CB 3.49Å; I218-D221 PolarHBondContact O-N 3.21Å; G219-D221 VanDerWaalsContact C-N 3.3Å; G219-D221 PolarHBondContact O-N 3.34Å
222H98.3Very high97.8Very high79 Ų7938.2 Ų38.237%0.36623%0.225SC..  trans-148.6139.5175.5-167.1-85.3000111.4I218 G219 K224 F225I218-H222 PolarHBondContact O-N 3.18Å; G219-H222 WeakPolarHBondContact CA-O 3.27Å; G219-H222 CarbonylContact O-C 3.59Å; H222-K224 HydrophobicContact CB-CG 4.23Å; H222-K224 VanDerWaalsContact ND1-CB 3.33Å; H222-K224 WeakPolarHBondContact ND1-CB 2.81Å; H222-K224 WeakPolarHBondContact ND1-CD 3.44Å; H222-K224 WeakPolarHBondContact ND1-CG 3.38Å; H222-K224 PolarHBondContact ND1-N 3.49Å; H222-K224 VanDerWaalsContact ND1-N 3.15Å; H222-K224 PolarHBondContact O-N 3.49Å; H222-F225 HydrophobicContact CB-CD2 4.03Å; H222-F225 HydrophobicContact CB-CE2 4.22Å; H222-F225 PolarHBondContact O-N 3.07Å
223A97.8Very high97.8Very high79 Ų7941.1 Ų41.165%0.65324%0.236SC*.G310 helixtrans-59.4-22.9-176.100000114.2F225 S226A223-F225 PolarHBondContact O-N 3.27Å; A223-F225 VanDerWaalsContact O-N 3.15Å; A223-S226 WeakPolarHBondContact O-CB 3.25Å; A223-S226 PolarHBondContact O-N 2.84Å
224K98.1Very high97.9Very high46 Ų4644.2 Ų44.220%0.225%0.247CC..G310 helixtrans-58.3-23174.977.3-172174.2175.60113.8A88 V89 G111 L112 H222A88-K224 HydrophobicContact CB-CD 4.24Å; A88-K224 HydrophobicContact CB-CG 4Å; V89-K224 PolarHBondContact O-NZ 3.06Å; G111-K224 WeakPolarHBondContact O-CB 3.5Å; G111-K224 WeakPolarHBondContact O-CD 3.5Å; L112-K224 HydrophobicContact CD2-CB 3.87Å; H222-K224 HydrophobicContact CB-CG 4.23Å; H222-K224 VanDerWaalsContact ND1-CB 3.33Å; H222-K224 WeakPolarHBondContact ND1-CB 2.81Å; H222-K224 WeakPolarHBondContact ND1-CD 3.44Å; H222-K224 WeakPolarHBondContact ND1-CG 3.38Å; H222-K224 PolarHBondContact ND1-N 3.49Å; H222-K224 VanDerWaalsContact ND1-N 3.15Å; H222-K224 PolarHBondContact O-N 3.49Å
225F98.5Very high97.9Very high1 Ų146 Ų460%0.00426%0.256CS..G310 helixtrans-89.8-0.8178.9-64-69.8000113.4T86 A88 I218 H222 A223 P227T86-F225 VanDerWaalsContact OG1-C 3.22Å; T86-F225 WeakPolarHBondContact OG1-CA 3.38Å; T86-F225 PolarHBondContact OG1-O 3.28Å; A88-F225 HydrophobicContact CB-CD1 3.67Å; A88-F225 HydrophobicContact CB-CE1 3.58Å; A88-F225 HydrophobicContact CB-CZ 4.42Å; I218-F225 VanDerWaalsContact C-CB 3.48Å; H222-F225 HydrophobicContact CB-CD2 4.03Å; H222-F225 HydrophobicContact CB-CE2 4.22Å; H222-F225 PolarHBondContact O-N 3.07Å; A223-F225 PolarHBondContact O-N 3.27Å; A223-F225 VanDerWaalsContact O-N 3.15Å; F225-P227 WeakPolarHBondContact O-CD 3.22Å
226S98.3Very high97.9Very high25 Ų2547.5 Ų47.518%0.17526%0.264CS..  trans-65.6120.7175.8178.70000110.1A223 V228A223-S226 WeakPolarHBondContact O-CB 3.25Å; A223-S226 PolarHBondContact O-N 2.84Å; S226-V228 PolarHBondContact O-N 2.94Å; S226-V228 PolarHBondContact OG-O 3.2Å
227P97.9Very high97.9Very high0 Ų046 Ų460%026%0.258CS..SBendtrans-75.6-12.1178.728.4-33000113.6L80 V84 T86 F225 T313 L321L80-P227 WeakPolarHBondContact O-CD 3.35Å; V84-P227 HydrophobicContact CB-CG 3.85Å; V84-P227 HydrophobicContact CG1-CG 3.85Å; T86-P227 HydrophobicContact CG2-CB 3.52Å; T86-P227 HydrophobicContact CG2-CG 4.25Å; F225-P227 WeakPolarHBondContact O-CD 3.22Å; P227-T313 PolarHBondContact O-N 3.5Å; P227-T313 PolarHBondContact O-OG1 2.98Å; P227-T313 VanDerWaalsContact O-OG1 3.13Å; P227-L321 HydrophobicContact CB-CD1 4.1Å; P227-L321 HydrophobicContact CB-CD2 3.6Å; P227-L321 HydrophobicContact CG-CD2 4Å
228V98Very high97.8Very high5 Ų547.3 Ų47.33%0.0326%0.263CS..EExtended strand (participates in β ladder)trans-110.2139.7-177.3-63.50000110.2L81 S226 A231 V310 E311 L321L81-V228 HydrophobicContact CD2-CG2 3.69Å; L81-V228 HydrophobicContact CG-CG2 4.42Å; S226-V228 PolarHBondContact O-N 2.94Å; S226-V228 PolarHBondContact OG-O 3.2Å; V228-A231 HydrophobicContact CB-CB 4.4Å; V228-A231 HydrophobicContact CG1-CB 4.4Å; V228-A231 HydrophobicContact CG2-CB 4Å; V228-V310 HydrophobicContact CG1-CG1 3.85Å; V228-E311 CarbonylContact C-O 3.55Å; V228-E311 WeakPolarHBondContact CA-O 3.4Å; V228-E311 WeakPolarHBondContact CB-O 3.42Å; V228-L321 HydrophobicContact CG1-CD1 3.89Å
229A96.3Very high97.8Very high70 Ų7045.4 Ų45.458%0.57925%0.253SS*.EExtended strand (participates in β ladder)trans-64.4-51.1164.400000108.6E311 T313A229-E311 HydrophobicContact CB-CB 4.19Å; A229-E311 PolarHBondContact N-O 3.26Å; A229-T313 HydrophobicContact CB-CG2 4.39Å
230T96.2Very high97.8Very high57 Ų5746.8 Ų46.835%0.3526%0.259SS..EExtended strand (participates in β ladder)trans-150.8147.1166.5-171.40000110.9E311T230-E311 HydrophobicContact CG2-CB 4.44Å; T230-E311 HydrophobicContact CG2-CG 4.49Å; T230-E311 PolarHBondContact O-N 2.88Å
231A98Very high97.7Very high3 Ų342.3 Ų42.33%0.02524%0.241CC..EExtended strand (participates in β ladder)trans-129.4120.5168.600000108.1R77 L80 L81 V228 S309R77-A231 VanDerWaalsContact CG-O 3.26Å; R77-A231 WeakPolarHBondContact CG-O 3.26Å; L80-A231 HydrophobicContact CB-CB 4.02Å; L80-A231 HydrophobicContact CD1-CB 4.07Å; L81-A231 HydrophobicContact CD2-CB 4.44Å; L81-A231 HydrophobicContact CG-CB 4.44Å; V228-A231 HydrophobicContact CB-CB 4.4Å; V228-A231 HydrophobicContact CG1-CB 4.4Å; V228-A231 HydrophobicContact CG2-CB 4Å; A231-S309 WeakPolarHBondContact CA-O 3.42Å
232S98.4Very high97.6Very high53 Ų5341.4 Ų41.437%0.37124%0.236SC..EExtended strand (participates in β ladder)trans-146.7168.8-177.672.20000111.1S309S232-S309 PolarHBondContact N-O 3.37Å; S232-S309 PolarHBondContact O-N 3.13Å
233Y98.4Very high97.4Very high61 Ų6143.6 Ų43.624%0.23925%0.246CC..EExtended strand (participates in β ladder)trans-141.5157.917162.2-98.7000110.1N74 R77 Y306 I307 F308N74-Y233 HydrophobicContact CB-CE1 4.28Å; R77-Y233 HydrophobicContact CB-CD1 4.23Å; R77-Y233 HydrophobicContact CB-CE1 4.18Å; R77-Y233 HydrophobicContact CG-CD1 4.41Å; Y233-Y306 AromaticContact CD2-CD1 3.5Å; Y233-Y306 HydrophobicContact CD2-CD1 3.5Å; Y233-Y306 HydrophobicContact CD2-CE1 4.07Å; Y233-Y306 AromaticContact CE2-CD1 3.79Å; Y233-Y306 HydrophobicContact CE2-CD1 3.79Å; Y233-Y306 AromaticContact CE2-CE1 3.86Å; Y233-Y306 HydrophobicContact CE2-CE1 3.86Å; Y233-Y306 HydrophobicContact CG-CD1 4.24Å; Y233-I307 CarbonylContact C-O 3.44Å; Y233-I307 WeakPolarHBondContact CA-O 3.33Å; Y233-I307 WeakPolarHBondContact CB-O 3.33Å; Y233-F308 AromaticContact CD1-CE1 3.96Å; Y233-F308 HydrophobicContact CD1-CE1 3.96Å; Y233-F308 HydrophobicContact CD1-CE2 4.27Å; Y233-F308 AromaticContact CD1-CZ 3.73Å; Y233-F308 HydrophobicContact CD1-CZ 3.73Å; Y233-F308 HydrophobicContact CG-CE2 4.21Å; Y233-F308 HydrophobicContact CG-CZ 4.13Å
234R98Very high97.2Very high86 Ų8644.9 Ų44.933%0.32525%0.248SC..EExtended strand (participates in β ladder)trans-133149.2167.570.8-178.6-172.6-82.82.1109.2R279 I307R234-R279 PolarHBondContact NH2-O 3.46Å; R234-I307 HydrophobicContact CG-CB 4.1Å; R234-I307 HydrophobicContact CG-CD1 4.33Å; R234-I307 PolarHBondContact N-O 3.45Å; R234-I307 PolarHBondContact O-N 2.97Å
235L98.2Very high97.1Very high36 Ų3643 Ų4319%0.18824%0.241CC..EExtended strand (participates in β ladder)trans-69.7149.7171.5-72.971.1000109.7V14 P237 R301 V302 H305 Y306V14-L235 HydrophobicContact CG2-CD2 4.02Å; L235-P237 WeakPolarHBondContact O-CD 3.44Å; L235-R301 HydrophobicContact CB-CB 3.7Å; L235-R301 HydrophobicContact CB-CG 4.06Å; L235-R301 HydrophobicContact CD2-CB 3.89Å; L235-R301 HydrophobicContact CG-CB 4.47Å; L235-R301 VanDerWaalsContact O-CD 3.25Å; L235-R301 WeakPolarHBondContact O-CD 3.38Å; L235-R301 PolarHBondContact O-NH1 2.96Å; L235-V302 WeakPolarHBondContact CD2-O 3.23Å; L235-H305 CarbonylContact C-O 3.52Å; L235-H305 WeakPolarHBondContact CA-O 3.47Å; L235-Y306 HydrophobicContact CD1-CD1 4.24Å; L235-Y306 HydrophobicContact CD1-CE1 3.89Å; L235-Y306 HydrophobicContact CG-CD1 4.39Å; L235-Y306 HydrophobicContact CG-CE1 4.1Å
236L98.3Very high96.9Very high36 Ų3647.6 Ų47.619%0.18826%0.262CS..EExtended strand (participates in β ladder)trans-63125.6174.5179.670.7000110.6R279 R301 V302 H305 I307L236-R279 HydrophobicContact CD1-CB 4.09Å; L236-R279 HydrophobicContact CD1-CG 4.15Å; L236-R301 VanDerWaalsContact O-CA 3.32Å; L236-R301 WeakPolarHBondContact O-CA 3.18Å; L236-R301 WeakPolarHBondContact O-CD 3.31Å; L236-V302 HydrophobicContact CB-CB 4.46Å; L236-V302 HydrophobicContact CD2-CG2 4.44Å; L236-V302 PolarHBondContact O-N 3.45Å; L236-H305 HydrophobicContact CB-CB 4.03Å; L236-H305 VanDerWaalsContact CD2-ND1 3.3Å; L236-H305 WeakPolarHBondContact CD2-ND1 3.46Å; L236-H305 PolarHBondContact N-O 3.21Å; L236-I307 HydrophobicContact CB-CD1 4.31Å; L236-I307 HydrophobicContact CD1-CD1 3.81Å
237P98.1Very high96.6Very high3 Ų347.9 Ų47.92%0.01927%0.269CS..EExtended strand (participates in β ladder)trans-60.6134.9168.2-24.736.9000113L235 A278 F283L235-P237 WeakPolarHBondContact O-CD 3.44Å; P237-A278 HydrophobicContact CB-CB 4.17Å; P237-A278 VanDerWaalsContact CB-O 3.27Å; P237-A278 WeakPolarHBondContact CB-O 3.49Å; P237-A278 WeakPolarHBondContact CG-O 3.32Å; P237-A278 VanDerWaalsContact O-CB 3.24Å; P237-A278 WeakPolarHBondContact O-CB 3.39Å; P237-F283 HydrophobicContact CB-CE1 3.88Å; P237-F283 HydrophobicContact CB-CE2 4.24Å; P237-F283 HydrophobicContact CB-CZ 3.57Å; P237-F283 HydrophobicContact CG-CZ 4.31Å
238D96.8Very high96.4Very high35 Ų3554.4 Ų54.419%0.18730%0.299CS..EExtended strand (participates in β ladder)trans-123.599.5169.3-179.66.2000107.5R13 T240 R298 A300 V302R13-D238 IonicContact CZ-OD2 2.79Å; R13-D238 IonicContact NE-OD2 2.81Å; R13-D238 PolarHBondContact NE-OD2 3.15Å; R13-D238 IonicContact NH2-OD2 3.81Å; R13-D238 PolarHBondContact NH2-OD2 3.23Å; D238-T240 PolarHBondContact OD1-OG1 3.01Å; D238-R298 IonicContact OD2-NH2 3.94Å; D238-A300 HydrophobicContact CB-CB 4.43Å; D238-A300 PolarHBondContact N-O 3.45Å; D238-A300 PolarHBondContact O-N 3.37Å; D238-V302 HydrophobicContact CB-CG2 3.96Å
239I97.6Very high96.2Very high8 Ų855.8 Ų55.84%0.04131%0.311CS..EExtended strand (participates in β ladder)trans-98.6124.5177.4-57.9160.5000106.3F257 V261 V275 A278 D281 F283I239-F257 HydrophobicContact CD1-CD1 4.01Å; I239-F257 HydrophobicContact CD1-CE1 3.99Å; I239-F257 HydrophobicContact CG1-CE1 4.41Å; I239-F257 HydrophobicContact CG2-CE1 4.18Å; I239-F257 HydrophobicContact CG2-CZ 4.12Å; I239-V261 HydrophobicContact CD1-CG1 3.49Å; I239-V261 VanDerWaalsContact CD1-CG1 3.49Å; I239-V275 HydrophobicContact CB-CG1 4.25Å; I239-V275 HydrophobicContact CB-CG2 4.19Å; I239-V275 HydrophobicContact CG2-CG2 3.98Å; I239-V275 WeakPolarHBondContact O-CG2 3.19Å; I239-A278 HydrophobicContact CD1-CB 4.24Å; I239-A278 HydrophobicContact CG1-CB 4.46Å; I239-D281 HydrophobicContact CD1-CB 4.02Å; I239-D281 WeakPolarHBondContact CD1-OD2 3.32Å; I239-F283 HydrophobicContact CD1-CE1 4.12Å; I239-F283 HydrophobicContact CG1-CE1 3.82Å; I239-F283 HydrophobicContact CG1-CZ 4.38Å
240T97.1Very high96.1Very high41 Ų4152.5 Ų52.525%0.25228%0.284SS..EExtended strand (participates in β ladder)trans-123.7130.3179.3-47.10000109.6D238 V297 R298D238-T240 PolarHBondContact OD1-OG1 3.01Å; T240-V297 WeakPolarHBondContact O-CA 3.11Å; T240-R298 PolarHBondContact N-O 3.44Å; T240-R298 PolarHBondContact O-N 2.66Å; T240-R298 PolarHBondContact OG1-NH2 3.26Å
241L96.3Very high96Very high42 Ų4252.2 Ų52.222%0.2228%0.279CS..EExtended strand (participates in β ladder)trans-82.6120.7169.4-56.2-177.6000108.3L253 A273 V275 A296 V297L241-L253 HydrophobicContact CD2-CD1 3.97Å; L241-L253 HydrophobicContact CD2-CD2 4.43Å; L241-A273 HydrophobicContact CD1-CB 4.36Å; L241-A273 WeakPolarHBondContact CD1-O 3.31Å; L241-V275 HydrophobicContact CG-CG2 4.26Å; L241-A296 CarbonylContact C-O 3.55Å; L241-A296 WeakPolarHBondContact CA-O 3.41Å; L241-V297 HydrophobicContact CD2-CG1 3.85Å
242L95.3Very high95.9Very high104 Ų10456.4 Ų56.455%0.54530%0.298SS..SBendtrans-80.5-28.5-179.7-61.5179.1000111.8A296 R298L242-A296 PolarHBondContact N-O 2.88Å; L242-R298 HydrophobicContact CD1-CB 4.37Å; L242-R298 HydrophobicContact CD2-CB 4.07Å; L242-R298 HydrophobicContact CG-CB 4.27Å
243E94.1Very high95.7Very high125 Ų12553.9 Ų53.958%0.58428%0.28SS*.SBendtrans-133.7149.9178-63.8177.9-179.300108.9V245E243-V245 PolarHBondContact O-N 3.42Å
244P94.1Very high95.6Very high105 Ų10552.3 Ų52.368%0.68228%0.278SS*.  trans-59.5130.4172.4-21.833.3000111.1L272P244-L272 HydrophobicContact CB-CD1 4.38Å
245V94.6Very high95.5Very high8 Ų857.8 Ų57.85%0.04830%0.299CS..  trans-112.7113.5178-175.40000109E243 A249 L253 A273 L293 A296E243-V245 PolarHBondContact O-N 3.42Å; V245-A249 HydrophobicContact CG1-CB 3.86Å; V245-L253 HydrophobicContact CB-CD1 4.09Å; V245-L253 HydrophobicContact CG1-CB 4.4Å; V245-L253 HydrophobicContact CG1-CD1 3.95Å; V245-L253 HydrophobicContact CG2-CD1 3.78Å; V245-A273 HydrophobicContact CB-CB 4.38Å; V245-A273 PolarHBondContact O-N 2.75Å; V245-L293 HydrophobicContact CG1-CD2 3.99Å; V245-A296 HydrophobicContact CG2-CB 3.94Å
246E94.4Very high95.4Very high97 Ų9757 Ų5745%0.45330%0.296SS..BIsolated β-bridgetrans-120.9163.5-169.9-67.1172.7-170.800112.9A249 K271 L272E246-A249 WeakPolarHBondContact O-CB 3.44Å; E246-A249 PolarHBondContact O-N 3.26Å; E246-K271 CarbonylContact C-O 3.4Å; E246-K271 WeakPolarHBondContact CA-O 3.38Å; E246-L272 HydrophobicContact CG-CD1 3.6Å
247G93.3Very high95.3Very high31 Ų3156 Ų5632%0.3229%0.29SS..THydrogen-bonded Turntrans64.5-140.5173.600000113.3A249 A250 K271G247-A249 PolarHBondContact O-N 3.09Å; G247-A250 WeakPolarHBondContact O-CB 3.21Å; G247-A250 PolarHBondContact O-N 3.05Å; G247-A250 VanDerWaalsContact O-N 3.17Å; G247-K271 PolarHBondContact N-O 3.07Å
248E92.8Very high95.3Very high136 Ų13656.8 Ų56.864%0.63630%0.295SS*.Hα-helixtrans-64.6-25.4179.3-64.5-59.913300112.8A250 E251 E252E248-A250 VanDerWaalsContact C-N 3.25Å; E248-A250 PolarHBondContact O-N 2.78Å; E248-E251 WeakPolarHBondContact O-CB 3.47Å; E248-E251 PolarHBondContact O-N 3.03Å; E248-E252 PolarHBondContact O-N 3.38Å; E248-E252 VanDerWaalsContact O-N 3.08Å
249A94.4Very high95.3Very high35 Ų3561.1 Ų61.129%0.28933%0.326SS..Hα-helixtrans-66.7-28.8176.400000112.1V245 E246 G247 L253 L293V245-A249 HydrophobicContact CG1-CB 3.86Å; E246-A249 WeakPolarHBondContact O-CB 3.44Å; E246-A249 PolarHBondContact O-N 3.26Å; G247-A249 PolarHBondContact O-N 3.09Å; A249-L253 VanDerWaalsContact O-CB 3.28Å; A249-L253 WeakPolarHBondContact O-CB 3.34Å; A249-L253 PolarHBondContact O-N 2.95Å; A249-L293 HydrophobicContact CB-CD2 4.31Å
250A94.9Very high95.1Very high0 Ų063.1 Ų63.10%035%0.348CS..Hα-helixtrans-66.7-39.7174.600000111.6G247 E248 L253 S254 V264 A273G247-A250 WeakPolarHBondContact O-CB 3.21Å; G247-A250 PolarHBondContact O-N 3.05Å; G247-A250 VanDerWaalsContact O-N 3.17Å; E248-A250 VanDerWaalsContact C-N 3.25Å; E248-A250 PolarHBondContact O-N 2.78Å; A250-L253 PolarHBondContact O-N 3.13Å; A250-S254 PolarHBondContact O-N 2.94Å; A250-V264 HydrophobicContact CB-CG1 4.07Å; A250-V264 HydrophobicContact CB-CG2 4.19Å; A250-A273 HydrophobicContact CB-CB 3.82Å
251E93.6Very high95.1Very high51 Ų5161.1 Ų61.124%0.23834%0.336CS..Hα-helixtrans-66.3-46.4176.1-65.5-75.6-175.900111E248 L253 S254 R255 K271E248-E251 WeakPolarHBondContact O-CB 3.47Å; E248-E251 PolarHBondContact O-N 3.03Å; E251-L253 VanDerWaalsContact C-N 3.33Å; E251-L253 PolarHBondContact O-N 2.96Å; E251-S254 PolarHBondContact O-N 3.26Å; E251-S254 PolarHBondContact O-OG 3.42Å; E251-R255 PolarHBondContact O-N 3.41Å; E251-K271 HydrophobicContact CG-CD 4.13Å; E251-K271 WeakPolarHBondContact OE1-CD 3.18Å; E251-K271 WeakPolarHBondContact OE1-CE 3.49Å; E251-K271 IonicContact OE1-NZ 2.74Å; E251-K271 PolarHBondContact OE1-NZ 2.76Å
252E94.6Very high95.1Very high91 Ų9159.9 Ų59.943%0.42533%0.329SS..Hα-helixtrans-58.8-44.2173.9-70.8-177.3-170.900111.8E248 S254 R255 C256 N290 L293E248-E252 PolarHBondContact O-N 3.38Å; E248-E252 VanDerWaalsContact O-N 3.08Å; E252-S254 VanDerWaalsContact C-N 3.34Å; E252-S254 PolarHBondContact O-N 3.42Å; E252-R255 PolarHBondContact O-N 3.46Å; E252-C256 PolarHBondContact O-N 2.92Å; E252-N290 PolarHBondContact OE2-ND2 3.02Å; E252-L293 HydrophobicContact CB-CD1 4.28Å
253L95.5Very high95.2Very high0 Ų058.4 Ų58.40%032%0.319CS..Hα-helixtrans-59.6-45.2178.7-170.4148.3000110.9L241 V245 A249 A250 E251 R255 C256 F257 I262 A273 I287 L293 V297L241-L253 HydrophobicContact CD2-CD1 3.97Å; L241-L253 HydrophobicContact CD2-CD2 4.43Å; V245-L253 HydrophobicContact CB-CD1 4.09Å; V245-L253 HydrophobicContact CG1-CB 4.4Å; V245-L253 HydrophobicContact CG1-CD1 3.95Å; V245-L253 HydrophobicContact CG2-CD1 3.78Å; A249-L253 VanDerWaalsContact O-CB 3.28Å; A249-L253 WeakPolarHBondContact O-CB 3.34Å; A249-L253 PolarHBondContact O-N 2.95Å; A250-L253 PolarHBondContact O-N 3.13Å; E251-L253 VanDerWaalsContact C-N 3.33Å; E251-L253 PolarHBondContact O-N 2.96Å; L253-R255 PolarHBondContact O-N 3.25Å; L253-C256 WeakPolarHBondContact O-CB 3.32Å; L253-C256 PolarHBondContact O-N 3.33Å; L253-F257 HydrophobicContact CD2-CD2 4.05Å; L253-F257 HydrophobicContact CD2-CE2 3.85Å; L253-F257 HydrophobicContact CG-CE2 4.15Å; L253-F257 VanDerWaalsContact O-CD2 3.3Å; L253-F257 WeakPolarHBondContact O-CD2 3.1Å; L253-I262 HydrophobicContact CD2-CB 4.23Å; L253-I262 HydrophobicContact CD2-CD1 3.97Å; L253-I262 HydrophobicContact CD2-CG1 3.73Å; L253-I262 HydrophobicContact CD2-CG2 3.62Å; L253-A273 HydrophobicContact CD2-CB 4.38Å; L253-I287 HydrophobicContact CG-CD1 4.42Å; L253-L293 HydrophobicContact CB-CD1 3.86Å; L253-L293 HydrophobicContact CD1-CD2 4.45Å; L253-L293 HydrophobicContact CG-CD1 4.43Å; L253-V297 HydrophobicContact CD1-CG1 4.05Å
254S95.1Very high95.3Very high28 Ų2854.3 Ų54.320%0.19630%0.303CS..Hα-helixtrans-59.4-33.8-179.576.60000113.2A250 E251 E252 C256 F257A250-S254 PolarHBondContact O-N 2.94Å; E251-S254 PolarHBondContact O-N 3.26Å; E251-S254 PolarHBondContact O-OG 3.42Å; E252-S254 VanDerWaalsContact C-N 3.34Å; E252-S254 PolarHBondContact O-N 3.42Å; S254-C256 VanDerWaalsContact C-N 3.31Å; S254-C256 PolarHBondContact O-N 3.21Å; S254-F257 PolarHBondContact O-N 3.06Å
255R95.9Very high95.2Very high201 Ų20152.5 Ų52.576%0.75829%0.286SS*.Hα-helixtrans-75.7-17178.9-64178-168.1175.55.9113.7E251 E252 L253 F257E251-R255 PolarHBondContact O-N 3.41Å; E252-R255 PolarHBondContact O-N 3.46Å; L253-R255 PolarHBondContact O-N 3.25Å; R255-F257 VanDerWaalsContact C-N 3.27Å
256C96.4Very high95.2Very high19 Ų1959.2 Ų59.213%0.12832%0.317CS..THydrogen-bonded Turntrans-79.1-9.9175.2-67.60000113.1E252 L253 S254 E286 I287E252-C256 PolarHBondContact O-N 2.92Å; L253-C256 WeakPolarHBondContact O-CB 3.32Å; L253-C256 PolarHBondContact O-N 3.33Å; S254-C256 VanDerWaalsContact C-N 3.31Å; S254-C256 PolarHBondContact O-N 3.21Å; C256-E286 HydrophobicContact CB-CB 4.32Å; C256-I287 HydrophobicContact CB-CB 4.23Å; C256-I287 HydrophobicContact CB-CD1 3.91Å
257F97.2Very high94.9Very high16 Ų1658 Ų587%0.0732%0.315CS..SBendtrans-118.1169.5-178.8-66.9-80.8000111.7I239 L253 S254 R255 V261 I262 D281 I287 L299I239-F257 HydrophobicContact CD1-CD1 4.01Å; I239-F257 HydrophobicContact CD1-CE1 3.99Å; I239-F257 HydrophobicContact CG1-CE1 4.41Å; I239-F257 HydrophobicContact CG2-CE1 4.18Å; I239-F257 HydrophobicContact CG2-CZ 4.12Å; L253-F257 HydrophobicContact CD2-CD2 4.05Å; L253-F257 HydrophobicContact CD2-CE2 3.85Å; L253-F257 HydrophobicContact CG-CE2 4.15Å; L253-F257 VanDerWaalsContact O-CD2 3.3Å; L253-F257 WeakPolarHBondContact O-CD2 3.1Å; S254-F257 PolarHBondContact O-N 3.06Å; R255-F257 VanDerWaalsContact C-N 3.27Å; F257-V261 HydrophobicContact CB-CB 4.19Å; F257-V261 HydrophobicContact CB-CG1 4.24Å; F257-I262 HydrophobicContact CB-CG1 4.02Å; F257-I262 HydrophobicContact CD2-CD1 4.19Å; F257-I262 HydrophobicContact CD2-CG1 3.54Å; F257-I262 HydrophobicContact CE2-CD1 4.47Å; F257-I262 HydrophobicContact CE2-CG1 4.24Å; F257-I262 HydrophobicContact CG-CG1 3.91Å; F257-D281 WeakPolarHBondContact CD1-OD2 3.09Å; F257-I287 HydrophobicContact CE2-CB 4.47Å; F257-I287 HydrophobicContact CE2-CD1 4.3Å; F257-I287 HydrophobicContact CE2-CG1 4.3Å; F257-I287 HydrophobicContact CZ-CB 4.21Å; F257-I287 HydrophobicContact CZ-CG1 4.24Å; F257-I287 HydrophobicContact CZ-CG2 4.43Å; F257-L299 HydrophobicContact CE1-CD1 4.32Å; F257-L299 HydrophobicContact CE1-CG 4.5Å; F257-L299 HydrophobicContact CZ-CD1 4.23Å
258S97.4Very high94.6Very high19 Ų1965.9 Ų65.913%0.13334%0.344CS..  trans-63.4145.4175.9-55.10000110.8G260 V261 D281 T282S258-G260 PolarHBondContact O-N 3.31Å; S258-V261 WeakPolarHBondContact O-CB 3.37Å; S258-V261 VanDerWaalsContact O-CG2 3.28Å; S258-V261 WeakPolarHBondContact O-CG2 3.46Å; S258-V261 PolarHBondContact O-N 3.03Å; S258-V261 VanDerWaalsContact O-N 3.15Å; S258-D281 PolarHBondContact N-OD1 2.57Å; S258-D281 PolarHBondContact OG-OD1 3.39Å; S258-T282 PolarHBondContact OG-N 2.77Å; S258-T282 PolarHBondContact OG-OG1 3.22Å
259P96.6Very high94.3Very high127 Ų12762.2 Ų62.283%0.82534%0.343SS*.THydrogen-bonded Turntrans-54131.9178.2-26.434.7000112.2
260G94.6Very high94Very high49 Ų4965.8 Ų65.851%0.50535%0.353SS..THydrogen-bonded Turntrans87.2-3.3-179.500000115.7S258S258-G260 PolarHBondContact O-N 3.31Å
261V96.5Very high93.9Very high0 Ų069.3 Ų69.30%037%0.369CS..THydrogen-bonded Turntrans-78.3-50.2176.6174.40000111.7I239 F257 S258 A276 N277 L280 D281I239-V261 HydrophobicContact CD1-CG1 3.49Å; I239-V261 VanDerWaalsContact CD1-CG1 3.49Å; F257-V261 HydrophobicContact CB-CB 4.19Å; F257-V261 HydrophobicContact CB-CG1 4.24Å; S258-V261 WeakPolarHBondContact O-CB 3.37Å; S258-V261 VanDerWaalsContact O-CG2 3.28Å; S258-V261 WeakPolarHBondContact O-CG2 3.46Å; S258-V261 PolarHBondContact O-N 3.03Å; S258-V261 VanDerWaalsContact O-N 3.15Å; V261-A276 PolarHBondContact O-N 3.15Å; V261-N277 WeakPolarHBondContact CA-O 3.4Å; V261-N277 PolarHBondContact O-N 3.02Å; V261-L280 HydrophobicContact CG2-CB 3.94Å; V261-D281 HydrophobicContact CG1-CB 4.12Å; V261-D281 HydrophobicContact CG2-CB 3.65Å
262I97.1Very high94Very high15 Ų1569.7 Ų69.78%0.07737%0.372CS..EExtended strand (participates in β ladder)trans-106130.8178.5-57-61.3000108.4L253 F257 A273 R274 V275L253-I262 HydrophobicContact CD2-CB 4.23Å; L253-I262 HydrophobicContact CD2-CD1 3.97Å; L253-I262 HydrophobicContact CD2-CG1 3.73Å; L253-I262 HydrophobicContact CD2-CG2 3.62Å; F257-I262 HydrophobicContact CB-CG1 4.02Å; F257-I262 HydrophobicContact CD2-CD1 4.19Å; F257-I262 HydrophobicContact CD2-CG1 3.54Å; F257-I262 HydrophobicContact CE2-CD1 4.47Å; F257-I262 HydrophobicContact CE2-CG1 4.24Å; F257-I262 HydrophobicContact CG-CG1 3.91Å; I262-A273 HydrophobicContact CG2-CB 4.07Å; I262-R274 WeakPolarHBondContact CA-O 3.14Å; I262-V275 HydrophobicContact CD1-CB 4.33Å; I262-V275 HydrophobicContact CD1-CG2 3.75Å
263E96.4Very high94.1Very high73 Ų7365.7 Ų65.734%0.34135%0.354SS..EExtended strand (participates in β ladder)trans-109.9136.4172.9-173.6-171.716500109.2Q265 R274 A276E263-Q265 VanDerWaalsContact CD-NE2 3.27Å; E263-Q265 HydrophobicContact CG-CG 4Å; E263-Q265 WeakPolarHBondContact OE1-CG 3.3Å; E263-Q265 PolarHBondContact OE1-NE2 2.77Å; E263-Q265 PolarHBondContact OE2-NE2 3.18Å; E263-R274 HydrophobicContact CB-CG 4.31Å; E263-R274 PolarHBondContact N-O 3.44Å; E263-R274 PolarHBondContact O-N 2.73Å; E263-R274 IonicContact OE1-NH2 3.93Å; E263-R274 IonicContact OE2-CZ 3.27Å; E263-R274 VanDerWaalsContact OE2-CZ 3.27Å; E263-R274 IonicContact OE2-NE 3.13Å; E263-R274 PolarHBondContact OE2-NE 3.15Å; E263-R274 VanDerWaalsContact OE2-NE 3.13Å; E263-R274 IonicContact OE2-NH2 2.66Å; E263-R274 PolarHBondContact OE2-NH2 3.04Å; E263-A276 HydrophobicContact CB-CB 3.88Å
264V95.4Very high94.1Very high40 Ų4071 Ų7124%0.24238%0.375CS..EExtended strand (participates in β ladder)trans-101.4115.7172.3-177.30000107.7A250 K271 L272A250-V264 HydrophobicContact CB-CG1 4.07Å; A250-V264 HydrophobicContact CB-CG2 4.19Å; V264-K271 HydrophobicContact CG1-CB 3.71Å; V264-K271 HydrophobicContact CG1-CD 4.23Å; V264-K271 HydrophobicContact CG1-CG 4.15Å; V264-L272 WeakPolarHBondContact CA-O 3.47Å
265Q93.4Very high94.2Very high67 Ų6771.9 Ų71.931%0.31338%0.378SS..EExtended strand (participates in β ladder)trans-108.3145.8179.9-63-168.1-28.400110.5E263 K271 L272E263-Q265 VanDerWaalsContact CD-NE2 3.27Å; E263-Q265 HydrophobicContact CG-CG 4Å; E263-Q265 WeakPolarHBondContact OE1-CG 3.3Å; E263-Q265 PolarHBondContact OE1-NE2 2.77Å; E263-Q265 PolarHBondContact OE2-NE2 3.18Å; Q265-K271 CarbonylContact O-C 3.55Å; Q265-K271 WeakPolarHBondContact O-CA 3.37Å; Q265-L272 PolarHBondContact N-O 3.21Å; Q265-L272 PolarHBondContact O-N 2.82Å
266E92.9Very high94.2Very high149 Ų14964.6 Ų64.670%0.69636%0.361SS*.EExtended strand (participates in β ladder)trans-94.8112175.5-162.9170.8179.400109.9Q270E266-Q270 WeakPolarHBondContact CA-O 3.45Å
267V89.8Confident94.1Very high71 Ų7167 Ų6743%0.4337%0.373SS..EExtended strand (participates in β ladder)trans-120.1120.4179.3-1760000107.7G269 Q270V267-G269 PolarHBondContact O-N 2.87Å; V267-G269 VanDerWaalsContact O-N 3.16Å; V267-Q270 PolarHBondContact N-O 3.08Å; V267-Q270 PolarHBondContact O-N 3.23Å
268Q85.9Confident94.1Very high196 Ų19667 Ų6792%0.91638%0.376SS*.THydrogen-bonded Turntrans54.332.3-178.5-59-179.2-1.900114.2Q270Q268-Q270 VanDerWaalsContact C-N 3.28Å; Q268-Q270 PolarHBondContact O-N 2.81Å
269G85.8Confident94.1Very high59 Ų5967.6 Ų67.661%0.60838%0.375SS*.THydrogen-bonded Turntrans77.69.5-177.900000114.5V267V267-G269 PolarHBondContact O-N 2.87Å; V267-G269 VanDerWaalsContact O-N 3.16Å
270Q89.1Confident94.1Very high111 Ų11165.8 Ų65.852%0.51936%0.358SS..EExtended strand (participates in β ladder)trans-112.8135.3172.5-69.4-175.8-18.200110.5E266 V267 Q268E266-Q270 WeakPolarHBondContact CA-O 3.45Å; V267-Q270 PolarHBondContact N-O 3.08Å; V267-Q270 PolarHBondContact O-N 3.23Å; Q268-Q270 VanDerWaalsContact C-N 3.28Å; Q268-Q270 PolarHBondContact O-N 2.81Å
271K93.8Very high94.3Very high73 Ų7363.6 Ų63.632%0.31734%0.335SS..EExtended strand (participates in β ladder)trans-75.1127.2173-67.5-176.7179.9-173.80109.5E246 G247 E251 V264 Q265E246-K271 CarbonylContact C-O 3.4Å; E246-K271 WeakPolarHBondContact CA-O 3.38Å; G247-K271 PolarHBondContact N-O 3.07Å; E251-K271 HydrophobicContact CG-CD 4.13Å; E251-K271 WeakPolarHBondContact OE1-CD 3.18Å; E251-K271 WeakPolarHBondContact OE1-CE 3.49Å; E251-K271 IonicContact OE1-NZ 2.74Å; E251-K271 PolarHBondContact OE1-NZ 2.76Å; V264-K271 HydrophobicContact CG1-CB 3.71Å; V264-K271 HydrophobicContact CG1-CD 4.23Å; V264-K271 HydrophobicContact CG1-CG 4.15Å; Q265-K271 CarbonylContact O-C 3.55Å; Q265-K271 WeakPolarHBondContact O-CA 3.37Å
272L95.3Very high94.3Very high60 Ų6068.8 Ų68.831%0.31437%0.366SS..EExtended strand (participates in β ladder)trans-127.9128.3179-177.970.6000109.8P244 E246 V264 Q265P244-L272 HydrophobicContact CB-CD1 4.38Å; E246-L272 HydrophobicContact CG-CD1 3.6Å; V264-L272 WeakPolarHBondContact CA-O 3.47Å; Q265-L272 PolarHBondContact N-O 3.21Å; Q265-L272 PolarHBondContact O-N 2.82Å
273A95.4Very high94.3Very high6 Ų668.8 Ų68.85%0.0537%0.366CS..EExtended strand (participates in β ladder)trans-81.3138174.700000111.5L241 V245 A250 L253 I262L241-A273 HydrophobicContact CD1-CB 4.36Å; L241-A273 WeakPolarHBondContact CD1-O 3.31Å; V245-A273 HydrophobicContact CB-CB 4.38Å; V245-A273 PolarHBondContact O-N 2.75Å; A250-A273 HydrophobicContact CB-CB 3.82Å; L253-A273 HydrophobicContact CD2-CB 4.38Å; I262-A273 HydrophobicContact CG2-CB 4.07Å
274R95.9Very high94.3Very high113 Ų11368.4 Ų68.443%0.42637%0.371SS..EExtended strand (participates in β ladder)trans-135.7153.5167.470.5177.5-166.9130.6-5110.9I262 E263 A276I262-R274 WeakPolarHBondContact CA-O 3.14Å; E263-R274 HydrophobicContact CB-CG 4.31Å; E263-R274 PolarHBondContact N-O 3.44Å; E263-R274 PolarHBondContact O-N 2.73Å; E263-R274 IonicContact OE1-NH2 3.93Å; E263-R274 IonicContact OE2-CZ 3.27Å; E263-R274 VanDerWaalsContact OE2-CZ 3.27Å; E263-R274 IonicContact OE2-NE 3.13Å; E263-R274 PolarHBondContact OE2-NE 3.15Å; E263-R274 VanDerWaalsContact OE2-NE 3.13Å; E263-R274 IonicContact OE2-NH2 2.66Å; E263-R274 PolarHBondContact OE2-NH2 3.04Å; R274-A276 PolarHBondContact O-N 3.09Å
275V96.8Very high94.3Very high45 Ų4570.6 Ų70.627%0.27338%0.375SS..EExtended strand (participates in β ladder)trans-78.1115.6171.3-175.30000108I239 L241 I262 A278I239-V275 HydrophobicContact CB-CG1 4.25Å; I239-V275 HydrophobicContact CB-CG2 4.19Å; I239-V275 HydrophobicContact CG2-CG2 3.98Å; I239-V275 WeakPolarHBondContact O-CG2 3.19Å; L241-V275 HydrophobicContact CG-CG2 4.26Å; I262-V275 HydrophobicContact CD1-CB 4.33Å; I262-V275 HydrophobicContact CD1-CG2 3.75Å; V275-A278 HydrophobicContact CG1-CB 4.09Å
276A95.8Very high94.5Very high49 Ų4971 Ų7141%0.40538%0.377SS..  trans-94-54.1-179.100000111.2V261 E263 R274V261-A276 PolarHBondContact O-N 3.15Å; E263-A276 HydrophobicContact CB-CB 3.88Å; R274-A276 PolarHBondContact O-N 3.09Å
277N96.3Very high94.7Very high68 Ų6864 Ų6436%0.36434%0.344SS..  trans-143.890-179-169.9-7.2000112.1V261 R279 L280V261-N277 WeakPolarHBondContact CA-O 3.4Å; V261-N277 PolarHBondContact O-N 3.02Å; N277-R279 PolarHBondContact O-N 3.46Å; N277-R279 WeakPolarHBondContact OD1-CB 3.45Å; N277-R279 PolarHBondContact OD1-N 3.07Å; N277-L280 HydrophobicContact CB-CD1 4.24Å; N277-L280 HydrophobicContact CB-CG 4.46Å; N277-L280 PolarHBondContact O-N 3.26Å
278A96.6Very high95Very high16 Ų1661.9 Ų61.913%0.13233%0.329CS..G310 helixtrans-63.4-23.6179.500000113.4P237 I239 V275 L280 D281P237-A278 HydrophobicContact CB-CB 4.17Å; P237-A278 VanDerWaalsContact CB-O 3.27Å; P237-A278 WeakPolarHBondContact CB-O 3.49Å; P237-A278 WeakPolarHBondContact CG-O 3.32Å; P237-A278 VanDerWaalsContact O-CB 3.24Å; P237-A278 WeakPolarHBondContact O-CB 3.39Å; I239-A278 HydrophobicContact CD1-CB 4.24Å; I239-A278 HydrophobicContact CG1-CB 4.46Å; V275-A278 HydrophobicContact CG1-CB 4.09Å; A278-L280 PolarHBondContact O-N 3Å; A278-L280 VanDerWaalsContact O-N 3.16Å; A278-D281 WeakPolarHBondContact O-CB 3.39Å; A278-D281 PolarHBondContact O-N 3Å
279R97.3Very high95.4Very high32 Ų3261.4 Ų61.412%0.12132%0.319CS..G310 helixtrans-56.5-34.1-178.6-167.7-167.7-176.383.52113.4E62 D64 R234 L236 N277 D281 I307E62-R279 IonicContact OE1-CZ 2.87Å; E62-R279 IonicContact OE1-NE 3.89Å; E62-R279 PolarHBondContact OE1-NE 2.85Å; E62-R279 IonicContact OE1-NH2 3.61Å; E62-R279 PolarHBondContact OE1-NH2 3.32Å; D64-R279 IonicContact OD1-CZ 3.25Å; D64-R279 IonicContact OD1-NH1 2.84Å; D64-R279 PolarHBondContact OD1-NH1 3.23Å; D64-R279 IonicContact OD1-NH2 3.74Å; D64-R279 PolarHBondContact OD1-NH2 2.88Å; D64-R279 IonicContact OD2-CZ 2.83Å; D64-R279 IonicContact OD2-NH1 3.38Å; D64-R279 PolarHBondContact OD2-NH1 2.87Å; D64-R279 IonicContact OD2-NH2 4Å; R234-R279 PolarHBondContact NH2-O 3.46Å; L236-R279 HydrophobicContact CD1-CB 4.09Å; L236-R279 HydrophobicContact CD1-CG 4.15Å; N277-R279 PolarHBondContact O-N 3.46Å; N277-R279 WeakPolarHBondContact OD1-CB 3.45Å; N277-R279 PolarHBondContact OD1-N 3.07Å; R279-D281 PolarHBondContact O-N 3.31Å; R279-I307 HydrophobicContact CG-CD1 3.78Å
280L96.9Very high95.8Very high89 Ų8960.1 Ų60.147%0.46630%0.298SS..G310 helixtrans-76.5-11.2-176.3-61.6177.5000112.9V261 N277 A278V261-L280 HydrophobicContact CG2-CB 3.94Å; N277-L280 HydrophobicContact CB-CD1 4.24Å; N277-L280 HydrophobicContact CB-CG 4.46Å; N277-L280 PolarHBondContact O-N 3.26Å; A278-L280 PolarHBondContact O-N 3Å; A278-L280 VanDerWaalsContact O-N 3.16Å
281D97.8Very high96.1Very high3 Ų360.8 Ų60.82%0.01630%0.301CS..  trans-77.2138.5-174.9-159.919.3000112.8I239 F257 S258 V261 A278 R279 F283I239-D281 HydrophobicContact CD1-CB 4.02Å; I239-D281 WeakPolarHBondContact CD1-OD2 3.32Å; F257-D281 WeakPolarHBondContact CD1-OD2 3.09Å; S258-D281 PolarHBondContact N-OD1 2.57Å; S258-D281 PolarHBondContact OG-OD1 3.39Å; V261-D281 HydrophobicContact CG1-CB 4.12Å; V261-D281 HydrophobicContact CG2-CB 3.65Å; A278-D281 WeakPolarHBondContact O-CB 3.39Å; A278-D281 PolarHBondContact O-N 3Å; R279-D281 PolarHBondContact O-N 3.31Å; D281-F283 HydrophobicContact CB-CD1 4.4Å; D281-F283 PolarHBondContact OD1-N 3.06Å; D281-F283 WeakPolarHBondContact OD2-CD1 3.46Å; D281-F283 WeakPolarHBondContact OD2-CE1 3.32Å
282T96.3Very high95.9Very high109 Ų10965.9 Ų65.967%0.66932%0.324SS*.  trans-96-6.8178.157.60000112.9S258S258-T282 PolarHBondContact OG-N 2.77Å; S258-T282 PolarHBondContact OG-OG1 3.22Å
283F96.8Very high95.9Very high16 Ų1663.5 Ų63.57%0.0731%0.311CS..  trans56.658.6-175.8-74.1-16.9000113.9L16 P237 I239 D281 R285 L299 A300 R301L16-F283 HydrophobicContact CD1-CD2 4.18Å; L16-F283 HydrophobicContact CD1-CE2 3.84Å; L16-F283 HydrophobicContact CD2-CB 4.29Å; L16-F283 HydrophobicContact CD2-CD2 3.41Å; L16-F283 VanDerWaalsContact CD2-CD2 3.41Å; L16-F283 HydrophobicContact CD2-CE2 3.92Å; L16-F283 HydrophobicContact CD2-CG 4.11Å; L16-F283 HydrophobicContact CG-CD2 4.44Å; P237-F283 HydrophobicContact CB-CE1 3.88Å; P237-F283 HydrophobicContact CB-CE2 4.24Å; P237-F283 HydrophobicContact CB-CZ 3.57Å; P237-F283 HydrophobicContact CG-CZ 4.31Å; I239-F283 HydrophobicContact CD1-CE1 4.12Å; I239-F283 HydrophobicContact CG1-CE1 3.82Å; I239-F283 HydrophobicContact CG1-CZ 4.38Å; D281-F283 HydrophobicContact CB-CD1 4.4Å; D281-F283 PolarHBondContact OD1-N 3.06Å; D281-F283 WeakPolarHBondContact OD2-CD1 3.46Å; D281-F283 WeakPolarHBondContact OD2-CE1 3.32Å; F283-R285 PolarHBondContact O-N 2.72Å; F283-L299 HydrophobicContact CD1-CD2 4.18Å; F283-L299 HydrophobicContact CE1-CD2 4.34Å; F283-L299 HydrophobicContact CE1-CG 4.23Å; F283-A300 VanDerWaalsContact CZ-O 3.26Å; F283-A300 WeakPolarHBondContact CZ-O 3.33Å; F283-R301 HydrophobicContact CE2-CG 3.86Å
284S96.8Very high95.8Very high64 Ų6465.8 Ų65.845%0.44832%0.32SS..  trans-60.1-24168.566.20000113.4E286S284-E286 PolarHBondContact O-N 3.49Å; S284-E286 PolarHBondContact OG-N 3.41Å
285R96.8Very high95.7Very high86 Ų8668.1 Ų68.133%0.32533%0.333SS..  trans6418.4-175.4-53.1-173.1-166.7-173.45.7114.5G17 F283 I287 F288G17-R285 PolarHBondContact O-NH1 3.42Å; F283-R285 PolarHBondContact O-N 2.72Å; R285-I287 PolarHBondContact O-N 3.19Å; R285-I287 VanDerWaalsContact O-N 3.07Å; R285-F288 HydrophobicContact CB-CD2 3.96Å; R285-F288 HydrophobicContact CB-CE2 4.32Å; R285-F288 PolarHBondContact O-N 2.83Å; R285-F288 VanDerWaalsContact O-N 3.14Å
286E96.9Very high95.6Very high76 Ų7666.4 Ų66.436%0.35532%0.324SS..G310 helixtrans-56.3-27.5178.2-80.8-67.8131.900113C256 S284 F288 R289C256-E286 HydrophobicContact CB-CB 4.32Å; S284-E286 PolarHBondContact O-N 3.49Å; S284-E286 PolarHBondContact OG-N 3.41Å; E286-F288 PolarHBondContact O-N 3.18Å; E286-F288 VanDerWaalsContact O-N 3.15Å; E286-R289 WeakPolarHBondContact O-CB 3.23Å; E286-R289 PolarHBondContact O-N 2.77Å; E286-R289 WeakPolarHBondContact OE1-CD 3.41Å; E286-R289 IonicContact OE1-CZ 2.75Å; E286-R289 IonicContact OE1-NH1 3.44Å; E286-R289 PolarHBondContact OE1-NH1 3.11Å; E286-R289 WeakPolarHBondContact OE2-CD 3.33Å; E286-R289 IonicContact OE2-CZ 2.68Å; E286-R289 IonicContact OE2-NE 3.91Å; E286-R289 IonicContact OE2-NH1 3.2Å; E286-R289 PolarHBondContact OE2-NH1 3.01Å
287I96.6Very high95.5Very high1 Ų164.5 Ų64.51%0.00531%0.307CS..G310 helixtrans-58.5-28178.6-161.755.1000114.2L253 C256 F257 R285 R289 N290 L293 V297 L299L253-I287 HydrophobicContact CG-CD1 4.42Å; C256-I287 HydrophobicContact CB-CB 4.23Å; C256-I287 HydrophobicContact CB-CD1 3.91Å; F257-I287 HydrophobicContact CE2-CB 4.47Å; F257-I287 HydrophobicContact CE2-CD1 4.3Å; F257-I287 HydrophobicContact CE2-CG1 4.3Å; F257-I287 HydrophobicContact CZ-CB 4.21Å; F257-I287 HydrophobicContact CZ-CG1 4.24Å; F257-I287 HydrophobicContact CZ-CG2 4.43Å; R285-I287 PolarHBondContact O-N 3.19Å; R285-I287 VanDerWaalsContact O-N 3.07Å; I287-R289 VanDerWaalsContact C-N 3.27Å; I287-R289 PolarHBondContact O-N 3.04Å; I287-N290 PolarHBondContact O-N 2.98Å; I287-L293 HydrophobicContact CD1-CB 3.58Å; I287-L293 HydrophobicContact CD1-CD1 4Å; I287-L293 HydrophobicContact CD1-CG 4.47Å; I287-L293 HydrophobicContact CG1-CB 4.47Å; I287-V297 HydrophobicContact CB-CG2 4.31Å; I287-V297 HydrophobicContact CD1-CG1 4.49Å; I287-V297 HydrophobicContact CG1-CB 4.39Å; I287-V297 HydrophobicContact CG1-CG1 4.06Å; I287-V297 HydrophobicContact CG1-CG2 3.46Å; I287-V297 VanDerWaalsContact CG1-CG2 3.46Å; I287-V297 HydrophobicContact CG2-CG2 3.89Å; I287-L299 HydrophobicContact CG2-CD1 3.84Å; I287-L299 HydrophobicContact CG2-CD2 4.17Å
288F96.3Very high95.5Very high27 Ų2764.4 Ų64.412%0.11830%0.302CS..G310 helixtrans-75-17.6177.3-63.6-60.7000113L16 E18 R285 E286 N290 K294 L299L16-F288 WeakPolarHBondContact O-CZ 3.41Å; E18-F288 HydrophobicContact CB-CB 4.23Å; E18-F288 HydrophobicContact CB-CD1 4.2Å; E18-F288 HydrophobicContact CB-CD2 4.26Å; E18-F288 HydrophobicContact CB-CG 3.98Å; E18-F288 HydrophobicContact CG-CB 3.99Å; E18-F288 HydrophobicContact CG-CG 4.3Å; R285-F288 HydrophobicContact CB-CD2 3.96Å; R285-F288 HydrophobicContact CB-CE2 4.32Å; R285-F288 PolarHBondContact O-N 2.83Å; R285-F288 VanDerWaalsContact O-N 3.14Å; E286-F288 PolarHBondContact O-N 3.18Å; E286-F288 VanDerWaalsContact O-N 3.15Å; F288-N290 VanDerWaalsContact C-N 3.28Å; F288-K294 HydrophobicContact CD1-CB 4.21Å; F288-L299 HydrophobicContact CE2-CD2 4.36Å
289R95.1Very high95.6Very high186 Ų18663.8 Ų63.870%0.70230%0.296SS*.G310 helixtrans-74.5-21.8172.4-61.3175.565.1-170.10.3112.1E286 I287 E291E286-R289 WeakPolarHBondContact O-CB 3.23Å; E286-R289 PolarHBondContact O-N 2.77Å; E286-R289 WeakPolarHBondContact OE1-CD 3.41Å; E286-R289 IonicContact OE1-CZ 2.75Å; E286-R289 IonicContact OE1-NH1 3.44Å; E286-R289 PolarHBondContact OE1-NH1 3.11Å; E286-R289 WeakPolarHBondContact OE2-CD 3.33Å; E286-R289 IonicContact OE2-CZ 2.68Å; E286-R289 IonicContact OE2-NE 3.91Å; E286-R289 IonicContact OE2-NH1 3.2Å; E286-R289 PolarHBondContact OE2-NH1 3.01Å; I287-R289 VanDerWaalsContact C-N 3.27Å; I287-R289 PolarHBondContact O-N 3.04Å; R289-E291 PolarHBondContact O-N 3.49Å
290N94.4Very high95.6Very high32 Ų3262.3 Ų62.317%0.17129%0.29CS..  trans-88101.2175-169-35.5000110.2E252 I287 F288 K292 L293 K294E252-N290 PolarHBondContact OE2-ND2 3.02Å; I287-N290 PolarHBondContact O-N 2.98Å; F288-N290 VanDerWaalsContact C-N 3.28Å; N290-K292 PolarHBondContact O-N 3.49Å; N290-K292 VanDerWaalsContact O-N 3.13Å; N290-K292 PolarHBondContact OD1-N 3.03Å; N290-K292 VanDerWaalsContact OD1-N 3.09Å; N290-L293 HydrophobicContact CB-CB 4.19Å; N290-L293 HydrophobicContact CB-CD1 4.46Å; N290-L293 WeakPolarHBondContact ND2-CD1 3.48Å; N290-L293 PolarHBondContact O-N 3.5Å; N290-L293 VanDerWaalsContact O-N 3.14Å; N290-L293 PolarHBondContact OD1-N 3.02Å; N290-K294 PolarHBondContact O-N 2.88Å
291E93.5Very high95.7Very high125 Ų12560 Ų6058%0.58428%0.276SS*.THydrogen-bonded Turntrans-56.1-29.2-178.9-76.7-63.1131.300114.4R289 K294R289-E291 PolarHBondContact O-N 3.49Å; E291-K294 IonicContact OE1-NZ 3.33Å; E291-K294 PolarHBondContact OE1-NZ 2.82Å; E291-K294 WeakPolarHBondContact OE2-CE 3.48Å; E291-K294 IonicContact OE2-NZ 3.06Å; E291-K294 PolarHBondContact OE2-NZ 2.96Å
292K91.2Very high95.7Very high180 Ų18060.9 Ų60.978%0.78328%0.281SS*.THydrogen-bonded Turntrans-79.7-38.6179.7-64.2-180-178.6174.70111.8N290N290-K292 PolarHBondContact O-N 3.49Å; N290-K292 VanDerWaalsContact O-N 3.13Å; N290-K292 PolarHBondContact OD1-N 3.03Å; N290-K292 VanDerWaalsContact OD1-N 3.09Å
293L93.8Very high95.7Very high10 Ų1056.4 Ų56.45%0.05225%0.252CS..THydrogen-bonded Turntrans-93.8-16.3-171.6-63.4178.1000114.1V245 A249 E252 L253 I287 N290 K295 A296V245-L293 HydrophobicContact CG1-CD2 3.99Å; A249-L293 HydrophobicContact CB-CD2 4.31Å; E252-L293 HydrophobicContact CB-CD1 4.28Å; L253-L293 HydrophobicContact CB-CD1 3.86Å; L253-L293 HydrophobicContact CD1-CD2 4.45Å; L253-L293 HydrophobicContact CG-CD1 4.43Å; I287-L293 HydrophobicContact CD1-CB 3.58Å; I287-L293 HydrophobicContact CD1-CD1 4Å; I287-L293 HydrophobicContact CD1-CG 4.47Å; I287-L293 HydrophobicContact CG1-CB 4.47Å; N290-L293 HydrophobicContact CB-CB 4.19Å; N290-L293 HydrophobicContact CB-CD1 4.46Å; N290-L293 WeakPolarHBondContact ND2-CD1 3.48Å; N290-L293 PolarHBondContact O-N 3.5Å; N290-L293 VanDerWaalsContact O-N 3.14Å; N290-L293 PolarHBondContact OD1-N 3.02Å; L293-K295 PolarHBondContact O-N 3.09Å; L293-A296 WeakPolarHBondContact O-CB 3.21Å; L293-A296 PolarHBondContact O-N 3.15Å
294K93Very high95.7Very high55 Ų5559 Ų5924%0.23927%0.266CS..THydrogen-bonded Turntrans-58.4-23-17770.1-179.1-179.9-175.90115.1F288 N290 E291F288-K294 HydrophobicContact CD1-CB 4.21Å; N290-K294 PolarHBondContact O-N 2.88Å; E291-K294 IonicContact OE1-NZ 3.33Å; E291-K294 PolarHBondContact OE1-NZ 2.82Å; E291-K294 WeakPolarHBondContact OE2-CE 3.48Å; E291-K294 IonicContact OE2-NZ 3.06Å; E291-K294 PolarHBondContact OE2-NZ 2.96Å
295K94.6Very high95.8Very high162 Ų16257 Ų5770%0.70425%0.25SC*.THydrogen-bonded Turntrans-91.8-15.7176.3-64.5-177.6-178.61750113.6L293 V297L293-K295 PolarHBondContact O-N 3.09Å; K295-V297 VanDerWaalsContact C-N 3.33Å
296A93.9Very high95.9Very high8 Ų853 Ų537%0.06624%0.235CC..THydrogen-bonded Turntrans-84.8-8.8-177.900000112.7L241 L242 V245 L293L241-A296 CarbonylContact C-O 3.55Å; L241-A296 WeakPolarHBondContact CA-O 3.41Å; L242-A296 PolarHBondContact N-O 2.88Å; V245-A296 HydrophobicContact CG2-CB 3.94Å; L293-A296 WeakPolarHBondContact O-CB 3.21Å; L293-A296 PolarHBondContact O-N 3.15Å
297V95.1Very high96Very high9 Ų949.5 Ų49.56%0.05522%0.218CC..EExtended strand (participates in β ladder)trans-125.1147.7-175.8-58.30000112.5T240 L241 L253 I287 K295 L299T240-V297 WeakPolarHBondContact O-CA 3.11Å; L241-V297 HydrophobicContact CD2-CG1 3.85Å; L253-V297 HydrophobicContact CD1-CG1 4.05Å; I287-V297 HydrophobicContact CB-CG2 4.31Å; I287-V297 HydrophobicContact CD1-CG1 4.49Å; I287-V297 HydrophobicContact CG1-CB 4.39Å; I287-V297 HydrophobicContact CG1-CG1 4.06Å; I287-V297 HydrophobicContact CG1-CG2 3.46Å; I287-V297 VanDerWaalsContact CG1-CG2 3.46Å; I287-V297 HydrophobicContact CG2-CG2 3.89Å; K295-V297 VanDerWaalsContact C-N 3.33Å; V297-L299 HydrophobicContact CB-CD1 4.04Å; V297-L299 HydrophobicContact CG2-CD1 3.64Å
298R96.3Very high96.1Very high67 Ų6749.5 Ų49.525%0.25322%0.218SC..EExtended strand (participates in β ladder)trans-120119.1164.1-178.6-168.165.6179.6-1.3108.8E9 D238 T240 L242E9-R298 WeakPolarHBondContact OE1-CD 3.42Å; E9-R298 IonicContact OE1-NH1 2.74Å; D238-R298 IonicContact OD2-NH2 3.94Å; T240-R298 PolarHBondContact N-O 3.44Å; T240-R298 PolarHBondContact O-N 2.66Å; T240-R298 PolarHBondContact OG1-NH2 3.26Å; L242-R298 HydrophobicContact CD1-CB 4.37Å; L242-R298 HydrophobicContact CD2-CB 4.07Å; L242-R298 HydrophobicContact CG-CB 4.27Å
299L97.8Very high96.2Very high3 Ų349.3 Ų49.32%0.01622%0.22CC..EExtended strand (participates in β ladder)trans-95.7116.9174-82.366000109L16 F257 F283 I287 F288 V297L16-L299 HydrophobicContact CB-CB 4.2Å; L16-L299 PolarHBondContact N-O 3.24Å; F257-L299 HydrophobicContact CE1-CD1 4.32Å; F257-L299 HydrophobicContact CE1-CG 4.5Å; F257-L299 HydrophobicContact CZ-CD1 4.23Å; F283-L299 HydrophobicContact CD1-CD2 4.18Å; F283-L299 HydrophobicContact CE1-CD2 4.34Å; F283-L299 HydrophobicContact CE1-CG 4.23Å; I287-L299 HydrophobicContact CG2-CD1 3.84Å; I287-L299 HydrophobicContact CG2-CD2 4.17Å; F288-L299 HydrophobicContact CE2-CD2 4.36Å; V297-L299 HydrophobicContact CB-CD1 4.04Å; V297-L299 HydrophobicContact CG2-CD1 3.64Å
300A98.1Very high96.3Very high0 Ų040.5 Ų40.50%019%0.187CC..EExtended strand (participates in β ladder)trans-135.7169.2177.700000111.8R13 V14 V15 D238 F283R13-A300 HydrophobicContact CB-CB 4.28Å; V14-A300 CarbonylContact O-C 3.57Å; V14-A300 VanDerWaalsContact O-CA 3.29Å; V14-A300 WeakPolarHBondContact O-CA 3.32Å; V15-A300 HydrophobicContact CG2-CB 4.49Å; D238-A300 HydrophobicContact CB-CB 4.43Å; D238-A300 PolarHBondContact N-O 3.45Å; D238-A300 PolarHBondContact O-N 3.37Å; F283-A300 VanDerWaalsContact CZ-O 3.26Å; F283-A300 WeakPolarHBondContact CZ-O 3.33Å
301R98.1Very high96.5Very high42 Ų4242.7 Ų42.716%0.15820%0.196CC..EExtended strand (participates in β ladder)trans-122.1141.4167.2-65.8-72.1179.2102.85.5109.2R13 V14 L16 L235 L236 F283R13-R301 WeakPolarHBondContact CA-O 3.42Å; V14-R301 HydrophobicContact CB-CB 4.2Å; V14-R301 PolarHBondContact N-O 3.21Å; V14-R301 PolarHBondContact O-N 3.44Å; L16-R301 HydrophobicContact CD1-CG 3.99Å; L235-R301 HydrophobicContact CB-CB 3.7Å; L235-R301 HydrophobicContact CB-CG 4.06Å; L235-R301 HydrophobicContact CD2-CB 3.89Å; L235-R301 HydrophobicContact CG-CB 4.47Å; L235-R301 VanDerWaalsContact O-CD 3.25Å; L235-R301 WeakPolarHBondContact O-CD 3.38Å; L235-R301 PolarHBondContact O-NH1 2.96Å; L236-R301 VanDerWaalsContact O-CA 3.32Å; L236-R301 WeakPolarHBondContact O-CA 3.18Å; L236-R301 WeakPolarHBondContact O-CD 3.31Å; F283-R301 HydrophobicContact CE2-CG 3.86Å
302V98Very high96.8Very high20 Ų2037.1 Ų37.112%0.12117%0.171CC..EExtended strand (participates in β ladder)trans-75.5121.2170.5-176.20000108.3L235 L236 D238 D304 H305L235-V302 WeakPolarHBondContact CD2-O 3.23Å; L236-V302 HydrophobicContact CB-CB 4.46Å; L236-V302 HydrophobicContact CD2-CG2 4.44Å; L236-V302 PolarHBondContact O-N 3.45Å; D238-V302 HydrophobicContact CB-CG2 3.96Å; V302-D304 VanDerWaalsContact CG1-OD1 3.26Å; V302-D304 WeakPolarHBondContact CG1-OD1 3.34Å; V302-H305 HydrophobicContact CB-CB 4.03Å; V302-H305 HydrophobicContact CG1-CB 3.77Å
303R96.9Very high97Very high16 Ų1630.2 Ų30.26%0.0614%0.144CC..EExtended strand (participates in β ladder)trans-66-43.4-169.1-178.1175.2-68.8164.41.5113.1M10 R11 T12 N23 H25 T27 Y306M10-R303 PolarHBondContact O-NH2 2.61Å; R11-R303 VanDerWaalsContact C-NH1 3.35Å; R11-R303 VanDerWaalsContact O-CZ 3.31Å; R11-R303 PolarHBondContact O-NH1 3.2Å; T12-R303 PolarHBondContact O-N 3.48Å; N23-R303 PolarHBondContact O-NH2 2.79Å; H25-R303 VanDerWaalsContact O-CZ 3.25Å; H25-R303 PolarHBondContact O-NH1 2.83Å; H25-R303 PolarHBondContact O-NH2 3.2Å; T27-R303 PolarHBondContact OG1-NH1 2.87Å; R303-Y306 PolarHBondContact O-OH 3.38Å; R303-Y306 VanDerWaalsContact O-OH 3.11Å
304D97.3Very high97.1Very high71 Ų7130.3 Ų30.338%0.3815%0.147SC..EExtended strand (participates in β ladder)trans-9512.4-172.263.2-34000113.2V66 G67 V302V66-D304 CarbonylContact C-O 3.54Å; V66-D304 VanDerWaalsContact CA-O 3.26Å; V66-D304 WeakPolarHBondContact CA-O 3.46Å; G67-D304 PolarHBondContact N-O 3.22Å; V302-D304 VanDerWaalsContact CG1-OD1 3.26Å; V302-D304 WeakPolarHBondContact CG1-OD1 3.34Å
305H98.4Very high97.2Very high20 Ų2028.1 Ų28.19%0.09314%0.139CC..EExtended strand (participates in β ladder)trans-121102.2178-168.1156.9000110.2D64 V66 L235 L236 V302D64-H305 IonicContact OD1-NE2 3.53Å; D64-H305 IonicContact OD2-CD2 3.93Å; D64-H305 IonicContact OD2-CE1 2.59Å; D64-H305 IonicContact OD2-NE2 3.96Å; D64-H305 PolarHBondContact OD2-NE2 3.36Å; V66-H305 HydrophobicContact CG2-CB 4.47Å; L235-H305 CarbonylContact C-O 3.52Å; L235-H305 WeakPolarHBondContact CA-O 3.47Å; L236-H305 HydrophobicContact CB-CB 4.03Å; L236-H305 VanDerWaalsContact CD2-ND1 3.3Å; L236-H305 WeakPolarHBondContact CD2-ND1 3.46Å; L236-H305 PolarHBondContact N-O 3.21Å; V302-H305 HydrophobicContact CB-CB 4.03Å; V302-H305 HydrophobicContact CG1-CB 3.77Å
306Y98.6Very high97.2Very high4 Ų421 Ų212%0.01611%0.109CC..EExtended strand (participates in β ladder)trans-98.2135.4177.2-59.7-82.5000110.8D64 M65 I68 A70 A73 Y233 L235 R303 F308D64-Y306 CarbonylContact C-O 3.53Å; D64-Y306 VanDerWaalsContact CA-O 3.24Å; D64-Y306 WeakPolarHBondContact CA-O 3.2Å; M65-Y306 PolarHBondContact N-O 3.06Å; M65-Y306 PolarHBondContact O-N 3.06Å; I68-Y306 HydrophobicContact CG2-CD2 3.57Å; I68-Y306 HydrophobicContact CG2-CE2 3.8Å; I68-Y306 VanDerWaalsContact O-CE2 3.31Å; I68-Y306 WeakPolarHBondContact O-CE2 3.34Å; A70-Y306 WeakPolarHBondContact CA-OH 3.49Å; A70-Y306 WeakPolarHBondContact CB-OH 3.3Å; A70-Y306 PolarHBondContact N-OH 3.34Å; A73-Y306 HydrophobicContact CB-CD1 4.38Å; A73-Y306 HydrophobicContact CB-CD2 4.17Å; A73-Y306 HydrophobicContact CB-CE1 4.46Å; A73-Y306 HydrophobicContact CB-CE2 4.23Å; A73-Y306 HydrophobicContact CB-CG 4.24Å; Y233-Y306 AromaticContact CD2-CD1 3.5Å; Y233-Y306 HydrophobicContact CD2-CD1 3.5Å; Y233-Y306 HydrophobicContact CD2-CE1 4.07Å; Y233-Y306 AromaticContact CE2-CD1 3.79Å; Y233-Y306 HydrophobicContact CE2-CD1 3.79Å; Y233-Y306 AromaticContact CE2-CE1 3.86Å; Y233-Y306 HydrophobicContact CE2-CE1 3.86Å; Y233-Y306 HydrophobicContact CG-CD1 4.24Å; L235-Y306 HydrophobicContact CD1-CD1 4.24Å; L235-Y306 HydrophobicContact CD1-CE1 3.89Å; L235-Y306 HydrophobicContact CG-CD1 4.39Å; L235-Y306 HydrophobicContact CG-CE1 4.1Å; R303-Y306 PolarHBondContact O-OH 3.38Å; R303-Y306 VanDerWaalsContact O-OH 3.11Å; Y306-F308 HydrophobicContact CG-CE2 4.4Å
307I98.4Very high97.4Very high1 Ų123.7 Ų23.71%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-102.6106.1167.8-58.4166.8000106.5E62 Y233 R234 L236 R279E62-I307 HydrophobicContact CG-CG2 4.01Å; E62-I307 WeakPolarHBondContact OE1-CG2 3.28Å; Y233-I307 CarbonylContact C-O 3.44Å; Y233-I307 WeakPolarHBondContact CA-O 3.33Å; Y233-I307 WeakPolarHBondContact CB-O 3.33Å; R234-I307 HydrophobicContact CG-CB 4.1Å; R234-I307 HydrophobicContact CG-CD1 4.33Å; R234-I307 PolarHBondContact N-O 3.45Å; R234-I307 PolarHBondContact O-N 2.97Å; L236-I307 HydrophobicContact CB-CD1 4.31Å; L236-I307 HydrophobicContact CD1-CD1 3.81Å; R279-I307 HydrophobicContact CG-CD1 3.78Å
308F98.5Very high97.5Very high2 Ų223.3 Ų23.31%0.00912%0.123CC..EExtended strand (participates in β ladder)trans-85.3142.9174.9-88.9-103000110.9E62 F63 M65 A73 R77 Y233 Y306E62-F308 VanDerWaalsContact CA-O 3.32Å; E62-F308 WeakPolarHBondContact CA-O 3.24Å; E62-F308 WeakPolarHBondContact CG-O 3.44Å; F63-F308 HydrophobicContact CD1-CB 3.81Å; F63-F308 HydrophobicContact CD2-CB 4.42Å; F63-F308 HydrophobicContact CE1-CB 3.44Å; F63-F308 VanDerWaalsContact CE1-CB 3.44Å; F63-F308 HydrophobicContact CE1-CD1 4.5Å; F63-F308 HydrophobicContact CE1-CG 4.14Å; F63-F308 HydrophobicContact CE2-CB 4.1Å; F63-F308 HydrophobicContact CE2-CD2 4.46Å; F63-F308 HydrophobicContact CE2-CG 4.28Å; F63-F308 HydrophobicContact CG-CB 4.31Å; F63-F308 HydrophobicContact CZ-CB 3.61Å; F63-F308 HydrophobicContact CZ-CD1 4.18Å; F63-F308 HydrophobicContact CZ-CD2 4.41Å; F63-F308 AromaticContact CZ-CG 3.82Å; F63-F308 HydrophobicContact CZ-CG 3.82Å; F63-F308 PolarHBondContact N-O 2.8Å; F63-F308 VanDerWaalsContact N-O 3.17Å; F63-F308 PolarHBondContact O-N 2.8Å; M65-F308 HydrophobicContact CG-CD2 4.13Å; M65-F308 HydrophobicContact CG-CE2 4.3Å; M65-F308 HydrophobicContact SD-CD2 3.9Å; M65-F308 HydrophobicContact SD-CE2 3.62Å; M65-F308 HydrophobicContact SD-CZ 4.19Å; A73-F308 HydrophobicContact CB-CE2 3.99Å; A73-F308 HydrophobicContact CB-CZ 3.86Å; A73-F308 WeakPolarHBondContact O-CZ 3.43Å; R77-F308 HydrophobicContact CB-CE1 4.45Å; Y233-F308 AromaticContact CD1-CE1 3.96Å; Y233-F308 HydrophobicContact CD1-CE1 3.96Å; Y233-F308 HydrophobicContact CD1-CE2 4.27Å; Y233-F308 AromaticContact CD1-CZ 3.73Å; Y233-F308 HydrophobicContact CD1-CZ 3.73Å; Y233-F308 HydrophobicContact CG-CE2 4.21Å; Y233-F308 HydrophobicContact CG-CZ 4.13Å; Y306-F308 HydrophobicContact CG-CE2 4.4Å
309S98.5Very high97.6Very high23 Ų2323.5 Ų23.516%0.16113%0.129CC..EExtended strand (participates in β ladder)trans-128.1122.6165.1-177.10000108.7L61 A231 S232L61-S309 WeakPolarHBondContact O-CA 3.5Å; A231-S309 WeakPolarHBondContact CA-O 3.42Å; S232-S309 PolarHBondContact N-O 3.37Å; S232-S309 PolarHBondContact O-N 3.13Å
310V98.6Very high97.6Very high0 Ų024.9 Ų24.90%014%0.137CC..EExtended strand (participates in β ladder)trans-124114.5179.2-177.70000108.3T60 L61 F63 L80 V228 P318 V322T60-V310 WeakPolarHBondContact CA-O 3.33Å; L61-V310 PolarHBondContact N-O 3.13Å; L61-V310 PolarHBondContact O-N 3.05Å; F63-V310 HydrophobicContact CE1-CG2 4.2Å; L80-V310 HydrophobicContact CD1-CG1 4.48Å; L80-V310 HydrophobicContact CD1-CG2 3.94Å; V228-V310 HydrophobicContact CG1-CG1 3.85Å; V310-P318 HydrophobicContact CG1-CB 4.2Å; V310-V322 HydrophobicContact CG2-CG2 4.08Å
311E98.4Very high97.6Very high78 Ų7824.9 Ų24.936%0.36414%0.137SC..EExtended strand (participates in β ladder)trans-108.6110.8176.8-68.9169.7-157.700108.5N59 T60 V228 A229 T230N59-E311 CarbonylContact O-C 3.57Å; N59-E311 WeakPolarHBondContact O-CA 3.27Å; T60-E311 HydrophobicContact CG2-CG 3.94Å; V228-E311 CarbonylContact C-O 3.55Å; V228-E311 WeakPolarHBondContact CA-O 3.4Å; V228-E311 WeakPolarHBondContact CB-O 3.42Å; A229-E311 HydrophobicContact CB-CB 4.19Å; A229-E311 PolarHBondContact N-O 3.26Å; T230-E311 HydrophobicContact CG2-CB 4.44Å; T230-E311 HydrophobicContact CG2-CG 4.49Å; T230-E311 PolarHBondContact O-N 2.88Å
312S98.3Very high97.6Very high9 Ų924 Ų246%0.06314%0.136CC..EExtended strand (participates in β ladder)trans-72.2148.5174.5-177.40000111.5N59 G314 L316N59-S312 WeakPolarHBondContact O-CB 3.36Å; N59-S312 PolarHBondContact O-N 2.83Å; S312-G314 PolarHBondContact O-N 3.02Å; S312-G314 PolarHBondContact OG-N 3.41Å; S312-L316 WeakPolarHBondContact CB-O 3.41Å; S312-L316 PolarHBondContact OG-O 2.87Å
313T97.2Very high97.6Very high34 Ų3425.9 Ų25.921%0.20915%0.15CC..  trans-79.82.7167.558.90000113.1P227 A229P227-T313 PolarHBondContact O-N 3.5Å; P227-T313 PolarHBondContact O-OG1 2.98Å; P227-T313 VanDerWaalsContact O-OG1 3.13Å; A229-T313 HydrophobicContact CB-CG2 4.39Å
314G95.5Very high97.7Very high12 Ų1226.7 Ų26.712%0.12416%0.155CC..SBendtrans89.16.8177.800000115N59 L116 S312N59-G314 WeakPolarHBondContact OD1-CA 3.38Å; L116-G314 WeakPolarHBondContact CD1-O 3.04Å; S312-G314 PolarHBondContact O-N 3.02Å; S312-G314 PolarHBondContact OG-N 3.41Å
315V95.3Very high97.7Very high9 Ų923.4 Ų23.46%0.05514%0.137CC..SBendtrans-68.4-44.2172.8178.50000111.2T86 P114 V193T86-V315 HydrophobicContact CG2-CG1 4.11Å; P114-V315 HydrophobicContact CB-CG2 3.9Å; V193-V315 HydrophobicContact CG2-CG2 4.31Å
316L94.8Very high97.7Very high14 Ų1425.7 Ų25.77%0.07315%0.15CC..SBendtrans-139.4150176.6-69.5170.3000108.9P119 S312 L321P119-L316 HydrophobicContact CG-CD1 3.97Å; S312-L316 WeakPolarHBondContact CB-O 3.41Å; S312-L316 PolarHBondContact OG-O 2.87Å; L316-L321 HydrophobicContact CB-CD2 3.91Å; L316-L321 HydrophobicContact CB-CG 4.28Å; L316-L321 HydrophobicContact CD1-CD2 4.03Å
317P97.6Very high97.7Very high63 Ų6330.8 Ų30.841%0.40917%0.172SC..  trans-66.4147.8175.631-36.3000110.9D319 V320 L321P317-D319 VanDerWaalsContact C-N 3.32Å; P317-D319 VanDerWaalsContact CB-OD1 3.28Å; P317-D319 WeakPolarHBondContact CB-OD1 3.31Å; P317-D319 WeakPolarHBondContact CG-OD1 3.29Å; P317-D319 PolarHBondContact O-N 3.44Å; P317-V320 HydrophobicContact CG-CB 4.16Å; P317-V320 HydrophobicContact CG-CG2 3.77Å; P317-V320 PolarHBondContact O-N 3.1Å; P317-L321 PolarHBondContact O-N 3.17Å
318P97.9Very high97.7Very high2 Ų232.6 Ų32.61%0.01318%0.181CC..Hα-helixtrans-67.9-25.2-16825.9-35.6000114.8L61 V310 L321 V322L61-P318 HydrophobicContact CB-CB 3.76Å; L61-P318 HydrophobicContact CB-CG 3.8Å; V310-P318 HydrophobicContact CG1-CB 4.2Å; P318-L321 WeakPolarHBondContact O-CB 3.32Å; P318-L321 PolarHBondContact O-N 3.1Å; P318-V322 WeakPolarHBondContact O-CG2 3.47Å; P318-V322 PolarHBondContact O-N 3.4Å; P318-V322 VanDerWaalsContact O-N 3.09Å
319D97.8Very high97.7Very high71 Ų7134.8 Ų34.838%0.3819%0.193SC..Hα-helixtrans-64.2-41.2173.362.2-27.2000112.3P317 S323P317-D319 VanDerWaalsContact C-N 3.32Å; P317-D319 VanDerWaalsContact CB-OD1 3.28Å; P317-D319 WeakPolarHBondContact CB-OD1 3.31Å; P317-D319 WeakPolarHBondContact CG-OD1 3.29Å; P317-D319 PolarHBondContact O-N 3.44Å; D319-S323 PolarHBondContact O-N 2.93Å; D319-S323 PolarHBondContact O-OG 2.78Å
320V98Very high97.7Very high31 Ų3139.9 Ų39.919%0.18822%0.216CC..Hα-helixtrans-66.8-40.8172.8176.80000110.1P317 V322 S323 E324P317-V320 HydrophobicContact CG-CB 4.16Å; P317-V320 HydrophobicContact CG-CG2 3.77Å; P317-V320 PolarHBondContact O-N 3.1Å; V320-V322 PolarHBondContact O-N 3.47Å; V320-S323 WeakPolarHBondContact O-CB 3.19Å; V320-S323 PolarHBondContact O-N 2.88Å; V320-E324 HydrophobicContact CG1-CG 4.15Å; V320-E324 WeakPolarHBondContact O-CG 3.41Å; V320-E324 PolarHBondContact O-N 2.86Å
321L98.2Very high97.7Very high0 Ų041.8 Ų41.80%024%0.235CC..Hα-helixtrans-58.5-46.6178.1-67179.7000112.5L80 V84 P227 V228 L316 P317 P318 S323 E324 A325L80-L321 HydrophobicContact CD2-CB 3.9Å; L80-L321 WeakPolarHBondContact CD2-O 3.29Å; V84-L321 HydrophobicContact CG1-CD2 4Å; P227-L321 HydrophobicContact CB-CD1 4.1Å; P227-L321 HydrophobicContact CB-CD2 3.6Å; P227-L321 HydrophobicContact CG-CD2 4Å; V228-L321 HydrophobicContact CG1-CD1 3.89Å; L316-L321 HydrophobicContact CB-CD2 3.91Å; L316-L321 HydrophobicContact CB-CG 4.28Å; L316-L321 HydrophobicContact CD1-CD2 4.03Å; P317-L321 PolarHBondContact O-N 3.17Å; P318-L321 WeakPolarHBondContact O-CB 3.32Å; P318-L321 PolarHBondContact O-N 3.1Å; L321-S323 VanDerWaalsContact C-N 3.32Å; L321-S323 PolarHBondContact O-N 2.79Å; L321-E324 PolarHBondContact O-N 3.28Å; L321-A325 WeakPolarHBondContact O-CB 3.22Å; L321-A325 PolarHBondContact O-N 3.04Å
322V98.1Very high97.6Very high23 Ų2341.6 Ų41.614%0.13923%0.233CC..Hα-helixtrans-62.8-42.1177.1175.80000110.6L61 F63 V310 P318 V320 E324 A325 I326L61-V322 HydrophobicContact CD2-CG2 4.15Å; F63-V322 HydrophobicContact CE1-CG2 3.98Å; F63-V322 HydrophobicContact CZ-CG1 4.06Å; F63-V322 HydrophobicContact CZ-CG2 4.15Å; V310-V322 HydrophobicContact CG2-CG2 4.08Å; P318-V322 WeakPolarHBondContact O-CG2 3.47Å; P318-V322 PolarHBondContact O-N 3.4Å; P318-V322 VanDerWaalsContact O-N 3.09Å; V320-V322 PolarHBondContact O-N 3.47Å; V322-E324 PolarHBondContact O-N 3.28Å; V322-A325 PolarHBondContact O-N 3.07Å; V322-I326 HydrophobicContact CG1-CD1 4.19Å; V322-I326 WeakPolarHBondContact O-CG1 3.34Å; V322-I326 PolarHBondContact O-N 3.43Å; V322-I326 VanDerWaalsContact O-N 3.12Å
323S98.3Very high97.6Very high60 Ų6044.8 Ų44.842%0.4226%0.255SS..Hα-helixtrans-61.7-44177.5-59.70000112.4D319 V320 L321 I326 K327D319-S323 PolarHBondContact O-N 2.93Å; D319-S323 PolarHBondContact O-OG 2.78Å; V320-S323 WeakPolarHBondContact O-CB 3.19Å; V320-S323 PolarHBondContact O-N 2.88Å; L321-S323 VanDerWaalsContact C-N 3.32Å; L321-S323 PolarHBondContact O-N 2.79Å; S323-I326 PolarHBondContact O-N 2.79Å; S323-K327 WeakPolarHBondContact O-CG 3.4Å; S323-K327 PolarHBondContact O-N 2.88Å
324E98.1Very high97.7Very high34 Ų3450.1 Ų50.116%0.15927%0.271CS..Hα-helixtrans-66.4-38.7176-68.3-52.5135.300111.8R120 V320 L321 V322 I326 K327 I328R120-E324 IonicContact NH1-OE1 2.92Å; V320-E324 HydrophobicContact CG1-CG 4.15Å; V320-E324 WeakPolarHBondContact O-CG 3.41Å; V320-E324 PolarHBondContact O-N 2.86Å; L321-E324 PolarHBondContact O-N 3.28Å; V322-E324 PolarHBondContact O-N 3.28Å; E324-I326 VanDerWaalsContact C-N 3.29Å; E324-I326 PolarHBondContact O-N 2.97Å; E324-K327 PolarHBondContact O-N 2.91Å; E324-K327 IonicContact OE1-NZ 3.67Å; E324-K327 PolarHBondContact OE1-NZ 3.3Å; E324-K327 IonicContact OE2-NZ 2.8Å; E324-I328 WeakPolarHBondContact O-CG1 3.31Å; E324-I328 PolarHBondContact O-N 3.35Å
325A98.3Very high97.8Very high1 Ų156 Ų561%0.00829%0.289CS..Hα-helixtrans-60.6-38.9176.600000112.6I79 L80 V84 L321 V322 I328 L329I79-A325 HydrophobicContact CB-CB 4.26Å; I79-A325 HydrophobicContact CG2-CB 3.67Å; L80-A325 HydrophobicContact CD2-CB 3.83Å; L80-A325 HydrophobicContact CG-CB 3.83Å; V84-A325 HydrophobicContact CG2-CB 4.06Å; L321-A325 WeakPolarHBondContact O-CB 3.22Å; L321-A325 PolarHBondContact O-N 3.04Å; V322-A325 PolarHBondContact O-N 3.07Å; A325-I328 PolarHBondContact O-N 2.95Å; A325-L329 PolarHBondContact O-N 3.21Å
326I98Very high97.8Very high69 Ų6960.6 Ų60.635%0.35431%0.309SS..Hα-helixtrans-65.9-44.8175.3-65.2164.7000110.7F76 V322 S323 E324 I328 L329 M330F76-I326 HydrophobicContact CD1-CG1 4.07Å; F76-I326 HydrophobicContact CE1-CB 4.32Å; F76-I326 HydrophobicContact CE1-CG1 3.71Å; F76-I326 HydrophobicContact CZ-CG1 4.04Å; V322-I326 HydrophobicContact CG1-CD1 4.19Å; V322-I326 WeakPolarHBondContact O-CG1 3.34Å; V322-I326 PolarHBondContact O-N 3.43Å; V322-I326 VanDerWaalsContact O-N 3.12Å; S323-I326 PolarHBondContact O-N 2.79Å; E324-I326 VanDerWaalsContact C-N 3.29Å; E324-I326 PolarHBondContact O-N 2.97Å; I326-I328 VanDerWaalsContact C-N 3.3Å; I326-I328 PolarHBondContact O-N 3.47Å; I326-L329 PolarHBondContact O-N 3.44Å; I326-M330 PolarHBondContact O-N 3.44Å
327K98.4Very high98Very high110 Ų11064.4 Ų64.448%0.47833%0.329SS..Hα-helixtrans-60.5-38.5177.4-68.5173.1-167.11690112.3S323 E324 M330 G331S323-K327 WeakPolarHBondContact O-CG 3.4Å; S323-K327 PolarHBondContact O-N 2.88Å; E324-K327 PolarHBondContact O-N 2.91Å; E324-K327 IonicContact OE1-NZ 3.67Å; E324-K327 PolarHBondContact OE1-NZ 3.3Å; E324-K327 IonicContact OE2-NZ 2.8Å; K327-M330 WeakPolarHBondContact O-CB 3.46Å; K327-M330 PolarHBondContact O-N 2.84Å; K327-G331 PolarHBondContact O-N 2.78Å
328I98.3Very high97.9Very high40 Ų4064.7 Ų64.721%0.20533%0.327CS..Hα-helixtrans-62.8-43.6177-70164.9000110.9I79 E83 V84 E324 A325 I326 M330 G331 K332I79-I328 HydrophobicContact CD1-CG2 4.35Å; I79-I328 HydrophobicContact CG1-CG2 4.5Å; I79-I328 HydrophobicContact CG2-CB 3.91Å; I79-I328 HydrophobicContact CG2-CD1 3.88Å; I79-I328 HydrophobicContact CG2-CG2 3.89Å; E83-I328 HydrophobicContact CB-CG2 4.37Å; V84-I328 HydrophobicContact CB-CD1 4.32Å; V84-I328 HydrophobicContact CG2-CD1 3.81Å; E324-I328 WeakPolarHBondContact O-CG1 3.31Å; E324-I328 PolarHBondContact O-N 3.35Å; A325-I328 PolarHBondContact O-N 2.95Å; I326-I328 VanDerWaalsContact C-N 3.3Å; I326-I328 PolarHBondContact O-N 3.47Å; I328-M330 VanDerWaalsContact C-N 3.34Å; I328-G331 PolarHBondContact O-N 2.86Å; I328-K332 WeakPolarHBondContact O-CG 3.21Å; I328-K332 PolarHBondContact O-N 3.5Å
329L98.2Very high97.9Very high47 Ų4769 Ų6925%0.24635%0.347CS..Hα-helixtrans-63.1-43.5176.2-172.958.1000111.3I72 A75 F76 I79 A325 I326 G331 K332 C333I72-L329 HydrophobicContact CG2-CD2 4.46Å; A75-L329 HydrophobicContact CB-CD2 4.23Å; F76-L329 HydrophobicContact CD1-CD2 4.25Å; F76-L329 HydrophobicContact CE1-CB 4.5Å; F76-L329 HydrophobicContact CE1-CD2 3.68Å; F76-L329 HydrophobicContact CZ-CD2 4.38Å; I79-L329 HydrophobicContact CD1-CB 3.66Å; I79-L329 HydrophobicContact CD1-CD1 4.17Å; I79-L329 HydrophobicContact CD1-CG 4.38Å; A325-L329 PolarHBondContact O-N 3.21Å; I326-L329 PolarHBondContact O-N 3.44Å; L329-G331 PolarHBondContact O-N 3.03Å; L329-K332 WeakPolarHBondContact O-CB 3.32Å; L329-K332 PolarHBondContact O-N 2.97Å; L329-C333 PolarHBondContact O-N 2.97Å
330M98.4Very high97.8Very high131 Ų13170.5 Ų70.565%0.64536%0.355SS*.Hα-helixtrans-59-45175.6-171.9-173-62.400111.8I326 K327 I328 K332 C333 R334I326-M330 PolarHBondContact O-N 3.44Å; K327-M330 WeakPolarHBondContact O-CB 3.46Å; K327-M330 PolarHBondContact O-N 2.84Å; I328-M330 VanDerWaalsContact C-N 3.34Å; M330-K332 VanDerWaalsContact C-N 3.33Å; M330-K332 PolarHBondContact O-N 2.95Å; M330-C333 PolarHBondContact O-N 3.26Å; M330-R334 PolarHBondContact O-N 2.94Å
331G98.1Very high97.7Very high40 Ų4073.3 Ų73.341%0.41237%0.368SS..Hα-helixtrans-63.2-35.8177.800000113.2K327 I328 L329 R334 R335K327-G331 PolarHBondContact O-N 2.78Å; I328-G331 PolarHBondContact O-N 2.86Å; L329-G331 PolarHBondContact O-N 3.03Å; G331-R334 PolarHBondContact O-N 2.84Å; G331-R335 PolarHBondContact O-N 3.35Å
332K97.9Very high97.6Very high73 Ų7375.8 Ų75.832%0.31739%0.389SS..Hα-helixtrans-63.5-44.8173.9-74.9178.5174.3-174.70112.6E83 I328 L329 M330 R334 F336E83-K332 IonicContact OE1-NZ 3.21Å; E83-K332 PolarHBondContact OE1-NZ 3.44Å; E83-K332 WeakPolarHBondContact OE2-CE 3.41Å; E83-K332 IonicContact OE2-NZ 3.82Å; E83-K332 PolarHBondContact OE2-NZ 3.26Å; I328-K332 WeakPolarHBondContact O-CG 3.21Å; I328-K332 PolarHBondContact O-N 3.5Å; L329-K332 WeakPolarHBondContact O-CB 3.32Å; L329-K332 PolarHBondContact O-N 2.97Å; M330-K332 VanDerWaalsContact C-N 3.33Å; M330-K332 PolarHBondContact O-N 2.95Å; K332-R334 VanDerWaalsContact C-N 3.32Å; K332-F336 VanDerWaalsContact O-CD2 3.25Å; K332-F336 WeakPolarHBondContact O-CD2 3.42Å
333C97.9Very high97.4Very high77 Ų7779.8 Ų79.852%0.5241%0.414SS..Hα-helixtrans-62-44.6175.3-65.90000110.5L329 M330 R335 F336 L337L329-C333 PolarHBondContact O-N 2.97Å; M330-C333 PolarHBondContact O-N 3.26Å; C333-R335 PolarHBondContact O-N 2.79Å; C333-F336 PolarHBondContact O-N 2.79Å; C333-L337 PolarHBondContact O-N 2.93Å
334R97.9Very high96.9Very high145 Ų14584.1 Ų84.155%0.54743%0.427SS..Hα-helixtrans-57.6-47.5179-177.266.3-159.3-172.37.1112.4M330 G331 K332 F336 L337 D338M330-R334 PolarHBondContact O-N 2.94Å; G331-R334 PolarHBondContact O-N 2.84Å; K332-R334 VanDerWaalsContact C-N 3.32Å; R334-F336 VanDerWaalsContact C-N 3.32Å; R334-F336 PolarHBondContact O-N 3.02Å; R334-L337 WeakPolarHBondContact O-CB 3.48Å; R334-L337 PolarHBondContact O-N 2.71Å; R334-L337 VanDerWaalsContact O-N 3.1Å; R334-D338 IonicContact CZ-OD1 3.99Å; R334-D338 IonicContact NE-OD1 2.66Å; R334-D338 PolarHBondContact NE-OD1 3.33Å; R334-D338 IonicContact NE-OD2 2.78Å; R334-D338 PolarHBondContact NE-OD2 3.35Å; R334-D338 IonicContact NH2-OD1 2.73Å; R334-D338 PolarHBondContact NH2-OD1 3.48Å; R334-D338 PolarHBondContact O-N 2.97Å
335R97.5Very high95.6Very high135 Ų13590.5 Ų90.551%0.50946%0.459SS..Hα-helixtrans-54-46-179.9-176.3-179.866.3151.17.8112.9G331 C333 D338 E339G331-R335 PolarHBondContact O-N 3.35Å; C333-R335 PolarHBondContact O-N 2.79Å; R335-D338 PolarHBondContact O-N 2.86Å; R335-E339 WeakPolarHBondContact O-CG 3.32Å; R335-E339 PolarHBondContact O-N 3.15Å
336F97.1Very high93.5Very high106 Ų106100 Ų10047%0.46551%0.51SS..Hα-helixtrans-72.9-28.1-179-71.4-64.3000113.1K332 C333 R334 E339 L340K332-F336 VanDerWaalsContact O-CD2 3.25Å; K332-F336 WeakPolarHBondContact O-CD2 3.42Å; C333-F336 PolarHBondContact O-N 2.79Å; R334-F336 VanDerWaalsContact C-N 3.32Å; R334-F336 PolarHBondContact O-N 3.02Å; F336-E339 WeakPolarHBondContact CD1-OE2 3.48Å; F336-L340 VanDerWaalsContact O-CG 3.3Å; F336-L340 WeakPolarHBondContact O-CG 3.49Å; F336-L340 PolarHBondContact O-N 2.9Å
337L97.5Very high93.2Very high95 Ų95101.6 Ų101.650%0.49752%0.517SS..Hα-helixtrans-64.1-46.9170.9-67.9172000110.5C333 R334 E339 L340 D341C333-L337 PolarHBondContact O-N 2.93Å; R334-L337 WeakPolarHBondContact O-CB 3.48Å; R334-L337 PolarHBondContact O-N 2.71Å; R334-L337 VanDerWaalsContact O-N 3.1Å; L337-E339 VanDerWaalsContact C-N 3.3Å; L337-E339 PolarHBondContact O-N 2.99Å; L337-L340 PolarHBondContact O-N 2.69Å; L337-D341 PolarHBondContact O-N 3.45Å
338D96.7Very high93Very high68 Ų68101.1 Ų101.136%0.36452%0.519SS..Hα-helixtrans-63.3-36.8178.9-60-37.9000111.6R334 R335 A342R334-D338 IonicContact CZ-OD1 3.99Å; R334-D338 IonicContact NE-OD1 2.66Å; R334-D338 PolarHBondContact NE-OD1 3.33Å; R334-D338 IonicContact NE-OD2 2.78Å; R334-D338 PolarHBondContact NE-OD2 3.35Å; R334-D338 IonicContact NH2-OD1 2.73Å; R334-D338 PolarHBondContact NH2-OD1 3.48Å; R334-D338 PolarHBondContact O-N 2.97Å; R335-D338 PolarHBondContact O-N 2.86Å; D338-A342 WeakPolarHBondContact O-CB 3.27Å; D338-A342 PolarHBondContact O-N 3.09Å
339E97.1Very high92.7Very high93 Ų93104.5 Ų104.544%0.43554%0.537SS..Hα-helixtrans-66.8-37.6174.1-74.3174-164.300113R335 F336 L337 A342 V343R335-E339 WeakPolarHBondContact O-CG 3.32Å; R335-E339 PolarHBondContact O-N 3.15Å; F336-E339 WeakPolarHBondContact CD1-OE2 3.48Å; L337-E339 VanDerWaalsContact C-N 3.3Å; L337-E339 PolarHBondContact O-N 2.99Å; E339-A342 PolarHBondContact O-N 2.93Å; E339-V343 WeakPolarHBondContact O-CG2 3.46Å; E339-V343 PolarHBondContact O-N 3.03Å
340L96.8Very high92.3Very high103 Ų103107.9 Ų107.954%0.53955%0.554SS.*Hα-helixtrans-66.7-40.6176-74.7173000111.7F336 L337 A342 V343 Q344F336-L340 VanDerWaalsContact O-CG 3.3Å; F336-L340 WeakPolarHBondContact O-CG 3.49Å; F336-L340 PolarHBondContact O-N 2.9Å; L337-L340 PolarHBondContact O-N 2.69Å; L340-A342 VanDerWaalsContact C-N 3.34Å; L340-V343 PolarHBondContact O-N 3.21Å; L340-Q344 WeakPolarHBondContact O-CG 3.18Å; L340-Q344 PolarHBondContact O-N 3.34Å
341D95.6Very high92Very high89 Ų89106.4 Ų106.448%0.47655%0.548SS..Hα-helixtrans-64.3-41.5176.7-70.1-19.3000110.8L337 V343 Q344 M345L337-D341 PolarHBondContact O-N 3.45Å; D341-V343 PolarHBondContact O-N 3.09Å; D341-Q344 PolarHBondContact O-N 3.22Å; D341-M345 WeakPolarHBondContact O-CG 3.36Å; D341-M345 PolarHBondContact O-N 3.03Å
342A95.6Very high91.6Very high53 Ų53110.9 Ų110.944%0.43856%0.557SS.*Hα-helixtrans-59.7-42.8177.300000112.6D338 E339 L340 Q344 M345D338-A342 WeakPolarHBondContact O-CB 3.27Å; D338-A342 PolarHBondContact O-N 3.09Å; E339-A342 PolarHBondContact O-N 2.93Å; L340-A342 VanDerWaalsContact C-N 3.34Å; A342-Q344 VanDerWaalsContact C-N 3.3Å; A342-Q344 PolarHBondContact O-N 2.84Å; A342-M345 PolarHBondContact O-N 3.06Å
343V94.9Very high91.1Very high107 Ų107113.6 Ų113.665%0.64857%0.574SS**Hα-helixtrans-68.1-28.1179.4173.50000112.7E339 L340 D341E339-V343 WeakPolarHBondContact O-CG2 3.46Å; E339-V343 PolarHBondContact O-N 3.03Å; L340-V343 PolarHBondContact O-N 3.21Å; D341-V343 PolarHBondContact O-N 3.09Å
344Q85.9Confident90.6Very high151 Ų151116.4 Ų116.471%0.70658%0.579SS**Hα-helixtrans-83.6-14.6179-68.5179.120.400113.5L340 D341 A342L340-Q344 WeakPolarHBondContact O-CG 3.18Å; L340-Q344 PolarHBondContact O-N 3.34Å; D341-Q344 PolarHBondContact O-N 3.22Å; A342-Q344 VanDerWaalsContact C-N 3.3Å; A342-Q344 PolarHBondContact O-N 2.84Å
345M70.8Confident90Very high167 Ų167114 Ų11482%0.82358%0.581SS**Hα-helixtrans-86.1-20.9176.8-70.4-176.173.400113.2D341 A342D341-M345 WeakPolarHBondContact O-CG 3.36Å; D341-M345 PolarHBondContact O-N 3.03Å; A342-M345 PolarHBondContact O-N 3.06Å
346D54.2Low89.3Confident201 Ų201112.1 Ų112.1100%1.07559%0.588SS**  trans-86.20167.8-72.8-25.6000111.3

Retrieved 346 of 346 residues in 365.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).