A0A087X3U0_POEFO Loading...

Transcription factor COE4

AlphaFold DB , UniProt , Accession A0A087X3U0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 587 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M29.8Very low30.6Very low243 Ų243160.7 Ų160.7100%1.19782%0.824SS**  0158.90-129.9162.2176.100108
2F32.6Very low30.4Very low211 Ų211153.2 Ų153.293%0.92582%0.816SS**  trans-63.4162.1-175.5-54.4-93.4000113.3
3G32.8Very low30.4Very low66 Ų66150.5 Ų150.568%0.6882%0.817SS**  cis-144.9-128.3-1.900000110.6
4I36.8Very low30.2Very low163 Ų163147.6 Ų147.684%0.83681%0.813SS**  cis-153176.1-3.4-56.9179.4000107.7
5H33.7Very low30Very low156 Ų156150.5 Ų150.572%0.72282%0.822SS**  trans-55.9170.3170.4-74.7-141.9000114.8
6E34.1Very low30.1Very low163 Ų163153.5 Ų153.576%0.76282%0.824SS**  cis-164.3-170.64.3-128.11769300110.2
7S27.2Very low29.9Very low80 Ų80156.3 Ų156.356%0.55983%0.831SS**  cis-166.6-173.1-0.653.80000111.7
8I29.1Very low29.6Very low165 Ų165157.3 Ų157.385%0.84683%0.83SS**  trans80163.7155.6-70.3167.6000118.8
9Q27.8Very low30.7Very low155 Ų155154.1 Ų154.172%0.72482%0.82SS**  trans-130.3173.5-149.5-51.2-177.6-31.500117.6
10R27.5Very low30.5Very low231 Ų231155.7 Ų155.787%0.87282%0.824SS**  trans86.2124.2148.3-69.2179-176.4-150.1-1.6121.1
11S25.8Very low30.4Very low135 Ų135154.4 Ų154.494%0.94482%0.822SS**  -176.6163.9107.5-163.30000112.2
12G27.5Very low30.4Very low70 Ų70147.7 Ų147.772%0.72281%0.805SS**  trans136.9138.517200000114.9
13S31Very low30.3Very low118 Ų118141.1 Ų141.183%0.82580%0.797SS**  trans-154.4136.2-168.3590000117.7
14S26.8Very low30.2Very low110 Ų110146.5 Ų146.577%0.76981%0.807SS**  trans32.8127.5144.2-167.90000122.5
15M28Very low29.9Very low191 Ų191146 Ų14694%0.94181%0.805SS**  trans-156.9171.6133.9-119.5171.7-79.200112.8
16K31.2Very low30.3Very low199 Ų199143.4 Ų143.487%0.86581%0.811SS**  trans-97.9156.9-168.9-68.5177.4167.2-1740114.1
17E26Very low30.4Very low201 Ų201141.1 Ų141.194%0.93981%0.808SS**  -162.1163.7130-124.9173.2-171.300113.9
18E25.2Very low31Very low175 Ų175148.4 Ų148.482%0.81882%0.823SS**  trans-168.5164.7-176.5-148.7-140.5136.900108.3
19P51.3Low31.2Very low96 Ų96145.4 Ų145.462%0.62381%0.813SS**  cis-116.7174.2-39.531.9-17.1000112.8
20M26.1Very low31.7Very low186 Ų186148.5 Ų148.592%0.91682%0.818SS**  trans-158104.5143.2-111.4-159.8-176.600116.4
21V28.9Very low32.1Very low129 Ų129145.3 Ų145.378%0.78282%0.815SS**  32.9113.8128.2-174.40000121.1
22A28.8Very low32.8Very low102 Ų102146.3 Ų146.384%0.84380%0.804SS**  trans60.2132.6140.700000122.9
23G29.9Very low33.4Very low72 Ų72146.4 Ų146.474%0.74281%0.806SS**  trans172.6111.6160.100000115.1
24M30.7Very low34.3Very low180 Ų180144.3 Ų144.389%0.88780%0.796SS**  trans50.8103154.8-62.7173.116600120
25N32.4Very low36.6Very low152 Ų152141.7 Ų141.781%0.81379%0.786SS**  -176.660.2116.9-97.6-49.2000113.8V27N25-V27 PolarHBondContact O-N 3.05Å
26A40.1Very low39.3Very low101 Ų101135.8 Ų135.884%0.83576%0.76SS**THydrogen-bonded Turntrans-81.935.2-177.400000114.9
27V37.3Very low42Very low116 Ų116129.2 Ų129.270%0.70373%0.734SS**THydrogen-bonded Turntrans-129.55.7-165.7-163.40000114.4N25N25-V27 PolarHBondContact O-N 3.05Å
28R39.3Very low45Very low233 Ų233123 Ų12388%0.87971%0.707SS**SBendtrans-133.616.5178.3-72.7-165.1179.1-125.91116.6
29T34.2Very low47.8Very low102 Ų102115.5 Ų115.563%0.62668%0.676SS**G310 helixtrans-88.52.2-176.5-28.20000114.5
30W38.1Very low49.6Very low220 Ų220116.9 Ų116.983%0.83368%0.678SS**G310 helixtrans-96.16.1-172.572.4-68.7000115.5
31M34.6Very low52.5Low164 Ų164110.8 Ų110.881%0.80865%0.651SS**G310 helixtrans-13228.3174.9-59.4-167.389.600113.3
32Q40.5Very low55.3Low155 Ų155104.7 Ų104.772%0.72461%0.614SS**SBendtrans-89.5129.9160.2-74.2177.5-44.600108.3
33G40Very low58Low73 Ų73101.4 Ų101.475%0.75359%0.587SS**  trans-60.9144.5-178.800000111.6G35G33-G35 PolarHBondContact O-N 2.79Å
34A51.5Low60.7Low74 Ų74105.7 Ų105.761%0.61259%0.588SS**  trans-52.5109.9-176.300000111.3
35G74.3Confident63.2Low54 Ų54101.4 Ų101.456%0.55758%0.576SS**PPolyproline II helixtrans-63.4146.7-176.700000112G33 L37G33-G35 PolarHBondContact O-N 2.79Å; G35-L37 PolarHBondContact O-N 3.44Å
36V84.8Confident65.8Low67 Ų6795.3 Ų95.341%0.40655%0.549SS..EExtended strand (participates in β ladder)trans-74.3120.9168.1-174.80000107.4R121 E123V36-R121 HydrophobicContact CB-CB 4.47Å; V36-R121 HydrophobicContact CG1-CB 4.45Å; V36-R121 HydrophobicContact CG2-CB 4.12Å; V36-E123 HydrophobicContact CG1-CB 3.89Å
37L88.5Confident68.1Low62 Ų6291 Ų9133%0.32551%0.512SS..EExtended strand (participates in β ladder)trans-84.5156174.8-57.9-179.8000110.2G35 A42 I120 R121 T122 E123G35-L37 PolarHBondContact O-N 3.44Å; L37-A42 HydrophobicContact CB-CB 4.5Å; L37-I120 HydrophobicContact CD1-CG2 3.78Å; L37-I120 HydrophobicContact CG-CG2 4.45Å; L37-R121 PolarHBondContact N-O 3.38Å; L37-T122 CarbonylContact O-C 3.55Å; L37-T122 WeakPolarHBondContact O-CA 3.24Å; L37-E123 PolarHBondContact O-N 2.82Å
38D88.3Confident70.7Confident69 Ų6985.8 Ų85.837%0.36948%0.482SS..EExtended strand (participates in β ladder)trans-75.4155.3163.572.6-80.1000110.7N40 T41 A42D38-N40 PolarHBondContact O-N 2.69Å; D38-N40 WeakPolarHBondContact OD2-CA 3.29Å; D38-N40 VanDerWaalsContact OD2-CB 3.28Å; D38-N40 WeakPolarHBondContact OD2-CB 2.96Å; D38-N40 PolarHBondContact OD2-N 2.98Å; D38-T41 PolarHBondContact O-N 2.94Å; D38-T41 WeakPolarHBondContact OD1-CB 3.5Å; D38-T41 PolarHBondContact OD1-OG1 2.92Å; D38-T41 PolarHBondContact OD2-N 2.84Å; D38-T41 PolarHBondContact OD2-OG1 2.87Å; D38-A42 WeakPolarHBondContact O-CB 3.41Å; D38-A42 PolarHBondContact O-N 3.08Å
39A85.1Confident73.3Confident19 Ų1975.4 Ų75.416%0.15744%0.444CS..Hα-helixtrans-59.8-27.7-179.300000114.5A43 E123A39-A43 WeakPolarHBondContact O-CB 3.21Å; A39-A43 PolarHBondContact O-N 2.94Å; A39-E123 PolarHBondContact N-O 2.8Å
40N87.4Confident76.2Confident125 Ų12572 Ų7267%0.66843%0.426SS*.Hα-helixtrans-77.8-43.4-179.3-60.2-58000111.3D38 A43 Q44D38-N40 PolarHBondContact O-N 2.69Å; D38-N40 WeakPolarHBondContact OD2-CA 3.29Å; D38-N40 VanDerWaalsContact OD2-CB 3.28Å; D38-N40 WeakPolarHBondContact OD2-CB 2.96Å; D38-N40 PolarHBondContact OD2-N 2.98Å; N40-A43 PolarHBondContact O-N 2.81Å; N40-Q44 WeakPolarHBondContact O-CG 3.32Å; N40-Q44 PolarHBondContact O-N 2.93Å
41T88.9Confident78.9Confident58 Ų5867.6 Ų67.636%0.35641%0.409SS..Hα-helixtrans-62.3-42.8173-59.30000111.1D38 A43 Q44 S45D38-T41 PolarHBondContact O-N 2.94Å; D38-T41 WeakPolarHBondContact OD1-CB 3.5Å; D38-T41 PolarHBondContact OD1-OG1 2.92Å; D38-T41 PolarHBondContact OD2-N 2.84Å; D38-T41 PolarHBondContact OD2-OG1 2.87Å; T41-A43 VanDerWaalsContact C-N 3.34Å; T41-A43 PolarHBondContact O-N 2.95Å; T41-Q44 WeakPolarHBondContact O-CB 3.33Å; T41-Q44 PolarHBondContact O-N 2.88Å; T41-S45 PolarHBondContact O-N 2.86Å
42A86.1Confident81.9Confident1 Ų160.2 Ų60.21%0.00838%0.375CS..Hα-helixtrans-61.4-41174.700000112.4L37 D38 Q44 S45 G46 V47 T122L37-A42 HydrophobicContact CB-CB 4.5Å; D38-A42 WeakPolarHBondContact O-CB 3.41Å; D38-A42 PolarHBondContact O-N 3.08Å; A42-Q44 VanDerWaalsContact C-N 3.28Å; A42-Q44 PolarHBondContact O-N 3.06Å; A42-S45 CarbonylContact O-C 3.52Å; A42-S45 WeakPolarHBondContact O-CA 3.3Å; A42-S45 WeakPolarHBondContact O-CB 3.21Å; A42-S45 PolarHBondContact O-N 2.73Å; A42-G46 PolarHBondContact O-N 2.94Å; A42-V47 CarbonylContact C-O 3.58Å; A42-V47 HydrophobicContact CB-CB 4.42Å; A42-V47 PolarHBondContact O-N 2.85Å; A42-V47 VanDerWaalsContact O-O 3.08Å; A42-T122 HydrophobicContact CB-CG2 3.47Å; A42-T122 VanDerWaalsContact CB-CG2 3.47Å
43A86.6Confident84.6Confident33 Ų3357.6 Ų57.627%0.27336%0.362SS..Hα-helixtrans-65.3-27.5179.300000113.6A39 N40 T41 S45 G46 V47A39-A43 WeakPolarHBondContact O-CB 3.21Å; A39-A43 PolarHBondContact O-N 2.94Å; N40-A43 PolarHBondContact O-N 2.81Å; T41-A43 VanDerWaalsContact C-N 3.34Å; T41-A43 PolarHBondContact O-N 2.95Å; A43-S45 VanDerWaalsContact C-N 3.33Å; A43-G46 PolarHBondContact O-N 3.44Å; A43-G46 VanDerWaalsContact O-N 3.12Å; A43-V47 VanDerWaalsContact CA-O 3.29Å; A43-V47 WeakPolarHBondContact CA-O 3.37Å; A43-V47 PolarHBondContact N-O 2.91Å; A43-V47 VanDerWaalsContact N-O 3.16Å
44Q86.6Confident87.4Confident161 Ų16154.8 Ų54.875%0.75233%0.329SS*.Hα-helixtrans-66.5-35.3170.7-66171.726.900111.7N40 T41 A42 G46N40-Q44 WeakPolarHBondContact O-CG 3.32Å; N40-Q44 PolarHBondContact O-N 2.93Å; T41-Q44 WeakPolarHBondContact O-CB 3.33Å; T41-Q44 PolarHBondContact O-N 2.88Å; A42-Q44 VanDerWaalsContact C-N 3.28Å; A42-Q44 PolarHBondContact O-N 3.06Å; Q44-G46 PolarHBondContact O-N 3.02Å
45S83.5Confident89.6Confident90 Ų9055.4 Ų55.463%0.62932%0.32SS*.THydrogen-bonded Turntrans-78.98.9171-60.30000113.6T41 A42 A43 V47T41-S45 PolarHBondContact O-N 2.86Å; A42-S45 CarbonylContact O-C 3.52Å; A42-S45 WeakPolarHBondContact O-CA 3.3Å; A42-S45 WeakPolarHBondContact O-CB 3.21Å; A42-S45 PolarHBondContact O-N 2.73Å; A43-S45 VanDerWaalsContact C-N 3.33Å; S45-V47 VanDerWaalsContact C-N 3.25Å; S45-V47 PolarHBondContact O-N 2.92Å
46G85.9Confident90.7Very high25 Ų2558 Ų5826%0.25832%0.315SS..THydrogen-bonded Turntrans75.18.8-179.800000115A42 A43 Q44 Q78A42-G46 PolarHBondContact O-N 2.94Å; A43-G46 PolarHBondContact O-N 3.44Å; A43-G46 VanDerWaalsContact O-N 3.12Å; Q44-G46 PolarHBondContact O-N 3.02Å; G46-Q78 PolarHBondContact O-NE2 2.86Å
47V89.3Confident91.3Very high9 Ų957.9 Ų57.96%0.05531%0.31CS..  trans-100.5127.8-179.2-178.40000109.4A42 A43 S45 Y116 N118 I120A42-V47 CarbonylContact C-O 3.58Å; A42-V47 HydrophobicContact CB-CB 4.42Å; A42-V47 PolarHBondContact O-N 2.85Å; A42-V47 VanDerWaalsContact O-O 3.08Å; A43-V47 VanDerWaalsContact CA-O 3.29Å; A43-V47 WeakPolarHBondContact CA-O 3.37Å; A43-V47 PolarHBondContact N-O 2.91Å; A43-V47 VanDerWaalsContact N-O 3.16Å; S45-V47 VanDerWaalsContact C-N 3.25Å; S45-V47 PolarHBondContact O-N 2.92Å; V47-Y116 HydrophobicContact CG1-CD1 3.65Å; V47-Y116 HydrophobicContact CG1-CD2 3.7Å; V47-Y116 HydrophobicContact CG1-CE1 3.9Å; V47-Y116 HydrophobicContact CG1-CE2 3.97Å; V47-Y116 HydrophobicContact CG1-CG 3.55Å; V47-N118 WeakPolarHBondContact CG2-ND2 3.42Å; V47-I120 HydrophobicContact CG2-CD1 4.29Å
48G91.8Very high91.8Very high7 Ų755.2 Ų55.27%0.07230%0.297CS..SBendtrans168.7162.8-179.300000112.2D76 R77 Y116G48-D76 WeakPolarHBondContact O-CA 3.24Å; G48-R77 PolarHBondContact O-N 3.03Å; G48-Y116 WeakPolarHBondContact CA-OH 3.28Å
49L94.5Very high92.2Very high15 Ų1554.3 Ų54.38%0.07930%0.295CS..EExtended strand (participates in β ladder)trans-63.1137.6173.4-62.2-176.6000110.9L74 V82 L114 Y116 Q124 L126 T217 L226L49-L74 HydrophobicContact CD1-CD1 4.2Å; L49-L74 HydrophobicContact CD1-CD2 4.42Å; L49-L74 HydrophobicContact CD2-CB 3.98Å; L49-L74 HydrophobicContact CD2-CD1 4.36Å; L49-V82 HydrophobicContact CD2-CG2 4.1Å; L49-L114 HydrophobicContact CD1-CD1 4.02Å; L49-L114 HydrophobicContact CD2-CD1 3.92Å; L49-L114 HydrophobicContact CG-CD1 3.94Å; L49-Y116 PolarHBondContact N-OH 3.43Å; L49-Q124 HydrophobicContact CD1-CG 3.98Å; L49-L126 HydrophobicContact CD1-CD1 4.46Å; L49-T217 HydrophobicContact CB-CG2 4.43Å; L49-T217 HydrophobicContact CD1-CG2 4.41Å; L49-L226 HydrophobicContact CB-CD1 4.22Å; L49-L226 HydrophobicContact CB-CD2 3.85Å; L49-L226 HydrophobicContact CD1-CD1 3.83Å
50A93.8Very high92.7Very high31 Ų3156.8 Ų56.826%0.25631%0.311SS..EExtended strand (participates in β ladder)trans-117.9-36.6173.800000112.6Y75 R77 H224A50-Y75 PolarHBondContact N-O 2.77Å; A50-R77 HydrophobicContact CB-CB 4.39Å; A50-R77 HydrophobicContact CB-CG 3.92Å; A50-H224 PolarHBondContact O-CE1 3.02Å
51R95.3Very high93.1Very high127 Ų12753.6 Ų53.648%0.47929%0.294SS..EExtended strand (participates in β ladder)trans-144.5158.6176.166.1177.6-177.4-159.5-5.9111.4Y75 G79 L226R51-Y75 HydrophobicContact CG-CD2 3.98Å; R51-Y75 HydrophobicContact CG-CG 4.19Å; R51-Y75 PolarHBondContact N-O 3.47Å; R51-Y75 PolarHBondContact O-N 3.49Å; R51-G79 PolarHBondContact NH2-O 3.43Å; R51-L226 WeakPolarHBondContact CA-O 3.5Å
52A97.4Very high93.5Very high10 Ų1051.2 Ų51.28%0.08328%0.279CS..EExtended strand (participates in β ladder)trans-116.6161.9160.100000109.2L72 A73 L74 L226 A227A52-L72 HydrophobicContact CB-CD1 4.5Å; A52-A73 CarbonylContact C-O 3.06Å; A52-A73 VanDerWaalsContact CA-O 3.24Å; A52-A73 WeakPolarHBondContact CA-O 3.26Å; A52-L74 HydrophobicContact CB-CD2 3.79Å; A52-L226 HydrophobicContact CB-CB 4.03Å; A52-L226 PolarHBondContact N-O 3.04Å; A52-A227 HydrophobicContact CB-CB 3.89Å
53H97.6Very high94Very high100 Ų10055.7 Ų55.746%0.46330%0.296SS..EExtended strand (participates in β ladder)trans-130.7136.2174-177.7-113.5000110.7E55 L72 A73 Y75H53-E55 IonicContact CE1-OE1 3.05Å; H53-E55 IonicContact CG-OE1 2.78Å; H53-E55 IonicContact ND1-OE1 2.64Å; H53-E55 PolarHBondContact ND1-OE1 3.3Å; H53-E55 IonicContact ND1-OE2 3.44Å; H53-E55 PolarHBondContact O-N 3.36Å; H53-E55 VanDerWaalsContact O-N 3.1Å; H53-L72 CarbonylContact O-C 3.56Å; H53-L72 VanDerWaalsContact O-CA 3.24Å; H53-L72 WeakPolarHBondContact O-CA 3.35Å; H53-A73 PolarHBondContact N-O 2.59Å; H53-A73 PolarHBondContact O-N 3.39Å; H53-Y75 HydrophobicContact CB-CE2 3.88Å
54F98.1Very high94.4Very high14 Ų1456.3 Ų56.36%0.06129%0.292CS..EExtended strand (participates in β ladder)trans-84.175.3179.9-79.9-88.3000111.2K56 Q57 F70 V71 L72 V213 V215 A227F54-K56 PolarHBondContact O-N 3.04Å; F54-Q57 HydrophobicContact CB-CG 4.27Å; F54-F70 HydrophobicContact CD1-CB 4.14Å; F54-F70 HydrophobicContact CD1-CD2 4.03Å; F54-F70 HydrophobicContact CD1-CG 4.33Å; F54-F70 HydrophobicContact CE1-CB 4.16Å; F54-F70 AromaticContact CE1-CD2 3.55Å; F54-F70 HydrophobicContact CE1-CD2 3.55Å; F54-F70 HydrophobicContact CE1-CE2 4.07Å; F54-F70 AromaticContact CE1-CG 3.9Å; F54-F70 HydrophobicContact CE1-CG 3.9Å; F54-V71 CarbonylContact C-O 3.53Å; F54-V71 WeakPolarHBondContact CA-O 3.46Å; F54-L72 HydrophobicContact CD1-CD2 3.58Å; F54-L72 HydrophobicContact CD2-CD2 4.16Å; F54-L72 HydrophobicContact CE1-CD2 3.59Å; F54-L72 HydrophobicContact CE2-CD2 4.16Å; F54-L72 HydrophobicContact CG-CD2 3.88Å; F54-L72 HydrophobicContact CZ-CD2 3.88Å; F54-V213 HydrophobicContact CE1-CB 4.45Å; F54-V213 HydrophobicContact CZ-CB 4.18Å; F54-V213 HydrophobicContact CZ-CG1 4.25Å; F54-V215 HydrophobicContact CE2-CG2 4.37Å; F54-V215 HydrophobicContact CZ-CG2 3.85Å; F54-A227 HydrophobicContact CD2-CB 3.93Å; F54-A227 HydrophobicContact CE2-CB 3.58Å
55E97.6Very high94.7Very high87 Ų8750.9 Ų50.941%0.40727%0.272SS..EExtended strand (participates in β ladder)trans-49.8-31.9171.4-59.7-53.614400112.7H53 V71 A73 F187H53-E55 IonicContact CE1-OE1 3.05Å; H53-E55 IonicContact CG-OE1 2.78Å; H53-E55 IonicContact ND1-OE1 2.64Å; H53-E55 PolarHBondContact ND1-OE1 3.3Å; H53-E55 IonicContact ND1-OE2 3.44Å; H53-E55 PolarHBondContact O-N 3.36Å; H53-E55 VanDerWaalsContact O-N 3.1Å; E55-V71 HydrophobicContact CB-CB 4.37Å; E55-V71 HydrophobicContact CB-CG1 4.19Å; E55-V71 PolarHBondContact N-O 2.9Å; E55-V71 VanDerWaalsContact N-O 3.09Å; E55-A73 HydrophobicContact CG-CB 3.83Å; E55-A73 WeakPolarHBondContact OE1-CB 3.41Å; E55-F187 HydrophobicContact CG-CD1 3.82Å; E55-F187 HydrophobicContact CG-CE1 3.8Å
56K97.6Very high95.3Very high107 Ų10750.4 Ų50.447%0.46526%0.262SS..EExtended strand (participates in β ladder)trans-134.1108.6164.6-176.2166.3-176.1159.20110.3F54 F70 V71F54-K56 PolarHBondContact O-N 3.04Å; K56-F70 CarbonylContact O-C 3.52Å; K56-F70 WeakPolarHBondContact O-CA 3.48Å; K56-F70 WeakPolarHBondContact O-CB 3.42Å; K56-V71 HydrophobicContact CB-CB 3.76Å; K56-V71 HydrophobicContact CB-CG2 3.84Å; K56-V71 HydrophobicContact CD-CG2 4.48Å; K56-V71 PolarHBondContact N-O 2.9Å; K56-V71 VanDerWaalsContact N-O 3.17Å; K56-V71 PolarHBondContact O-N 3.12Å
57Q98.2Very high95.8Very high65 Ų6551.9 Ų51.930%0.30426%0.262SS..PPolyproline II helixtrans-57.7149.2171.4-66.8-76.916.500112.1F54 D230F54-Q57 HydrophobicContact CB-CG 4.27Å; Q57-D230 HydrophobicContact CB-CB 4.45Å; Q57-D230 VanDerWaalsContact CD-CG 3.45Å; Q57-D230 HydrophobicContact CG-CB 4.28Å; Q57-D230 WeakPolarHBondContact CG-OD2 3.41Å; Q57-D230 PolarHBondContact NE2-OD1 3.34Å; Q57-D230 PolarHBondContact NE2-OD2 2.85Å
58P97.9Very high96.3Very high6 Ų651.6 Ų51.64%0.03926%0.26CS..PPolyproline II helixtrans-65.2159.1169.530.5-34.6000111S60 F68 F70 V213 S229 M232P58-S60 PolarHBondContact O-N 2.97Å; P58-F68 HydrophobicContact CB-CD2 4.01Å; P58-F68 HydrophobicContact CB-CE2 4.27Å; P58-F70 HydrophobicContact CB-CB 4.36Å; P58-V213 HydrophobicContact CB-CG2 4.3Å; P58-V213 HydrophobicContact CG-CG2 3.94Å; P58-S229 WeakPolarHBondContact CG-OG 3.4Å; P58-M232 HydrophobicContact CB-SD 4.48Å
59P97.4Very high96.6Very high50 Ų5055.1 Ų55.133%0.32527%0.274SS..PPolyproline II helixtrans-65.7128.7-176.527.1-34.9000112N61 L62 F68 M232P59-N61 PolarHBondContact O-N 3.5Å; P59-L62 HydrophobicContact CG-CB 4.4Å; P59-L62 HydrophobicContact CG-CD1 4.34Å; P59-F68 HydrophobicContact CG-CB 3.8Å; P59-M232 VanDerWaalsContact O-CG 3.28Å; P59-M232 WeakPolarHBondContact O-CG 3.35Å
60S96.2Very high96.8Very high71 Ų7154.4 Ų54.450%0.49727%0.271SS..SBendtrans-60.9-18.9-17861.70000114.6P58 R210 N231 F233P58-S60 PolarHBondContact O-N 2.97Å; S60-R210 PolarHBondContact O-NH1 2.7Å; S60-N231 WeakPolarHBondContact CA-O 3.43Å; S60-F233 PolarHBondContact O-N 3Å
61N94.6Very high97Very high59 Ų5953.8 Ų53.832%0.31626%0.264SS..EExtended strand (participates in β ladder)trans-138.9131.3168.8-54.6-89.4000108.8P59 F233 H240P59-N61 PolarHBondContact O-N 3.5Å; N61-F233 CarbonylContact C-O 3.5Å; N61-F233 WeakPolarHBondContact CA-O 3.5Å; N61-H240 PolarHBondContact OD1-NE2 3.32Å
62L96.9Very high97.1Very high8 Ų847.8 Ų47.84%0.04224%0.241CC..EExtended strand (participates in β ladder)trans-130.5132-174.8176.361.8000111.1P59 N66 F68 C194 M232 F233 V234 H235P59-L62 HydrophobicContact CG-CB 4.4Å; P59-L62 HydrophobicContact CG-CD1 4.34Å; L62-N66 HydrophobicContact CD1-CB 4.3Å; L62-F68 HydrophobicContact CD1-CB 3.94Å; L62-F68 HydrophobicContact CD2-CB 3.9Å; L62-F68 HydrophobicContact CD2-CD1 3.46Å; L62-F68 VanDerWaalsContact CD2-CD1 3.46Å; L62-F68 HydrophobicContact CD2-CE1 4.16Å; L62-F68 HydrophobicContact CD2-CG 3.83Å; L62-C194 HydrophobicContact CD2-CB 4.19Å; L62-M232 HydrophobicContact CB-CG 4.13Å; L62-M232 HydrophobicContact CB-SD 3.95Å; L62-M232 HydrophobicContact CD2-SD 3.63Å; L62-M232 HydrophobicContact CG-SD 4.43Å; L62-F233 PolarHBondContact N-O 3.03Å; L62-V234 HydrophobicContact CB-CG2 4.4Å; L62-V234 HydrophobicContact CD2-CG2 4.35Å; L62-V234 CarbonylContact O-C 3.49Å; L62-V234 WeakPolarHBondContact O-CA 3.42Å; L62-H235 PolarHBondContact O-CD2 2.72Å; L62-H235 VanDerWaalsContact O-CD2 3.29Å; L62-H235 PolarHBondContact O-N 2.93Å; L62-H235 PolarHBondContact O-NE2 2.83Å
63R96.6Very high97.2Very high95 Ų9547.5 Ų47.536%0.35824%0.238SC..EExtended strand (participates in β ladder)trans-81.3120.4166.6-164.2-173.7176.2-154.9-7.1110.2S65 N66 H235R63-S65 VanDerWaalsContact CD-OG 3.27Å; R63-S65 WeakPolarHBondContact CD-OG 3.45Å; R63-S65 WeakPolarHBondContact CG-OG 3.48Å; R63-S65 PolarHBondContact NE-OG 2.91Å; R63-S65 VanDerWaalsContact NE-OG 3.11Å; R63-S65 PolarHBondContact O-N 3.3Å; R63-N66 WeakPolarHBondContact O-CB 3.43Å; R63-N66 PolarHBondContact O-N 3.45Å; R63-H235 CarbonylContact C-O 3.53Å; R63-H235 WeakPolarHBondContact CA-O 3.18Å
64K94.8Very high97.2Very high45 Ų4542.8 Ų42.820%0.19622%0.217CC..THydrogen-bonded Turntrans-47.9-24.6179.4162.3170.8164.8154.70115.5N66 K193 N195 N197 V234 H235K64-N66 VanDerWaalsContact C-N 3.31Å; K64-K193 WeakPolarHBondContact O-CE 3.37Å; K64-N195 WeakPolarHBondContact CE-O 3.35Å; K64-N195 WeakPolarHBondContact CE-OD1 3.28Å; K64-N195 PolarHBondContact NZ-O 3.04Å; K64-N195 PolarHBondContact NZ-OD1 2.81Å; K64-N197 WeakPolarHBondContact CD-OD1 3.48Å; K64-V234 HydrophobicContact CB-CG1 4.09Å; K64-H235 PolarHBondContact N-O 3.31Å
65S93.1Very high97.1Very high47 Ų4744.4 Ų44.433%0.32922%0.223SC..THydrogen-bonded Turntrans-71.3-26.2175.715.90000113.5R63 K193R63-S65 VanDerWaalsContact CD-OG 3.27Å; R63-S65 WeakPolarHBondContact CD-OG 3.45Å; R63-S65 WeakPolarHBondContact CG-OG 3.48Å; R63-S65 PolarHBondContact NE-OG 2.91Å; R63-S65 VanDerWaalsContact NE-OG 3.11Å; R63-S65 PolarHBondContact O-N 3.3Å; S65-K193 WeakPolarHBondContact O-CE 3.27Å; S65-K193 PolarHBondContact O-NZ 2.74Å
66N96.5Very high97Very high80 Ų8040.4 Ų40.443%0.42820%0.204SC..SBendtrans-94.4158.6-168.3-5920.1000111.6L62 R63 K64L62-N66 HydrophobicContact CD1-CB 4.3Å; R63-N66 WeakPolarHBondContact O-CB 3.43Å; R63-N66 PolarHBondContact O-N 3.45Å; K64-N66 VanDerWaalsContact C-N 3.31Å
67F97.7Very high96.8Very high57 Ų5742.1 Ų42.125%0.2521%0.208CC..  trans-77.8156.6161.8-70.1-91.7000110.7H157 T176 L192 K193F67-H157 HydrophobicContact CE1-CB 4.02Å; F67-H157 HydrophobicContact CZ-CB 3.93Å; F67-H157 AromaticContact CZ-ND1 3.97Å; F67-T176 HydrophobicContact CB-CG2 4.15Å; F67-T176 HydrophobicContact CD1-CG2 4.33Å; F67-T176 HydrophobicContact CD2-CG2 4.37Å; F67-T176 HydrophobicContact CG-CG2 4.02Å; F67-L192 CarbonylContact C-O 3.4Å; F67-L192 VanDerWaalsContact CA-O 3.26Å; F67-L192 WeakPolarHBondContact CA-O 3.19Å; F67-L192 WeakPolarHBondContact CD1-O 3.43Å; F67-K193 HydrophobicContact CD1-CB 3.77Å; F67-K193 HydrophobicContact CE1-CB 3.76Å; F67-K193 HydrophobicContact CE1-CD 4.39Å; F67-K193 HydrophobicContact CE2-CD 4.23Å; F67-K193 HydrophobicContact CG-CB 4.34Å; F67-K193 HydrophobicContact CZ-CB 4.33Å; F67-K193 HydrophobicContact CZ-CD 4.13Å
68F98.4Very high96.5Very high3 Ų344.5 Ų44.51%0.01322%0.219CC..EExtended strand (participates in β ladder)trans-129.8158.8168.772.8-79.1000109.6P58 P59 L62 F70 L154 L192 C194 V213 M232P58-F68 HydrophobicContact CB-CD2 4.01Å; P58-F68 HydrophobicContact CB-CE2 4.27Å; P59-F68 HydrophobicContact CG-CB 3.8Å; L62-F68 HydrophobicContact CD1-CB 3.94Å; L62-F68 HydrophobicContact CD2-CB 3.9Å; L62-F68 HydrophobicContact CD2-CD1 3.46Å; L62-F68 VanDerWaalsContact CD2-CD1 3.46Å; L62-F68 HydrophobicContact CD2-CE1 4.16Å; L62-F68 HydrophobicContact CD2-CG 3.83Å; F68-F70 HydrophobicContact CD2-CD1 4.4Å; F68-F70 HydrophobicContact CE2-CD1 4.03Å; F68-F70 HydrophobicContact CE2-CE1 4.21Å; F68-L154 HydrophobicContact CE1-CD2 4.15Å; F68-L154 HydrophobicContact CZ-CD2 3.99Å; F68-L192 HydrophobicContact CD1-CB 4.1Å; F68-L192 WeakPolarHBondContact CD1-O 3.3Å; F68-L192 HydrophobicContact CE1-CB 3.52Å; F68-L192 HydrophobicContact CE2-CB 4.28Å; F68-L192 HydrophobicContact CZ-CB 3.63Å; F68-L192 HydrophobicContact CZ-CD1 4.08Å; F68-L192 HydrophobicContact CZ-CG 4.45Å; F68-L192 PolarHBondContact N-O 2.88Å; F68-L192 PolarHBondContact O-N 3.06Å; F68-C194 HydrophobicContact CE1-CB 4.1Å; F68-V213 HydrophobicContact CE2-CG2 4.12Å; F68-M232 HydrophobicContact CD2-CE 4.49Å; F68-M232 HydrophobicContact CD2-SD 4.18Å; F68-M232 HydrophobicContact CE1-CE 4.43Å; F68-M232 HydrophobicContact CE2-CE 4.01Å; F68-M232 HydrophobicContact CE2-SD 4.29Å; F68-M232 HydrophobicContact CG-SD 4.37Å; F68-M232 HydrophobicContact CZ-CE 3.97Å
69H98.3Very high96.2Very high81 Ų8145.6 Ų45.638%0.37523%0.231SC..EExtended strand (participates in β ladder)trans-139.8152.7175.362.2-90.2000110.6F190 F191H69-F190 WeakPolarHBondContact CA-O 3.12Å; H69-F190 WeakPolarHBondContact CB-O 3.32Å; H69-F191 HydrophobicContact CB-CD1 4.11Å; H69-F191 HydrophobicContact CB-CE1 4.44Å
70F98.5Very high96.1Very high0 Ų047.7 Ų47.70%024%0.237CC..EExtended strand (participates in β ladder)trans-136.8162.3170.758.2-92.9000108.1F54 K56 P58 F68 L72 V128 K189 F190 L192 V213F54-F70 HydrophobicContact CD1-CB 4.14Å; F54-F70 HydrophobicContact CD1-CD2 4.03Å; F54-F70 HydrophobicContact CD1-CG 4.33Å; F54-F70 HydrophobicContact CE1-CB 4.16Å; F54-F70 AromaticContact CE1-CD2 3.55Å; F54-F70 HydrophobicContact CE1-CD2 3.55Å; F54-F70 HydrophobicContact CE1-CE2 4.07Å; F54-F70 AromaticContact CE1-CG 3.9Å; F54-F70 HydrophobicContact CE1-CG 3.9Å; K56-F70 CarbonylContact O-C 3.52Å; K56-F70 WeakPolarHBondContact O-CA 3.48Å; K56-F70 WeakPolarHBondContact O-CB 3.42Å; P58-F70 HydrophobicContact CB-CB 4.36Å; F68-F70 HydrophobicContact CD2-CD1 4.4Å; F68-F70 HydrophobicContact CE2-CD1 4.03Å; F68-F70 HydrophobicContact CE2-CE1 4.21Å; F70-L72 HydrophobicContact CD2-CD2 3.92Å; F70-L72 HydrophobicContact CD2-CG 3.97Å; F70-L72 HydrophobicContact CE2-CD1 4.09Å; F70-L72 HydrophobicContact CE2-CD2 4.07Å; F70-L72 HydrophobicContact CE2-CG 3.88Å; F70-V128 HydrophobicContact CE1-CG1 4.33Å; F70-V128 HydrophobicContact CZ-CG1 3.89Å; F70-V128 HydrophobicContact CZ-CG2 4.31Å; F70-K189 WeakPolarHBondContact O-CA 3.3Å; F70-F190 HydrophobicContact CD1-CB 4.39Å; F70-F190 HydrophobicContact CD2-CB 4.41Å; F70-F190 AromaticContact CD2-CD2 3.9Å; F70-F190 HydrophobicContact CD2-CD2 3.9Å; F70-F190 HydrophobicContact CD2-CG 4.45Å; F70-F190 HydrophobicContact CE1-CB 3.86Å; F70-F190 HydrophobicContact CE1-CG 4.4Å; F70-F190 HydrophobicContact CE2-CB 3.9Å; F70-F190 AromaticContact CE2-CD2 3.28Å; F70-F190 HydrophobicContact CE2-CD2 3.28Å; F70-F190 AromaticContact CE2-CE2 3.92Å; F70-F190 HydrophobicContact CE2-CE2 3.92Å; F70-F190 AromaticContact CE2-CG 3.66Å; F70-F190 HydrophobicContact CE2-CG 3.66Å; F70-F190 HydrophobicContact CZ-CB 3.59Å; F70-F190 HydrophobicContact CZ-CD1 4.28Å; F70-F190 AromaticContact CZ-CD2 3.78Å; F70-F190 HydrophobicContact CZ-CD2 3.78Å; F70-F190 AromaticContact CZ-CG 3.62Å; F70-F190 HydrophobicContact CZ-CG 3.62Å; F70-F190 PolarHBondContact O-N 3.43Å; F70-F190 VanDerWaalsContact O-N 3.14Å; F70-L192 HydrophobicContact CE1-CD1 3.93Å; F70-L192 HydrophobicContact CZ-CD1 4.46Å; F70-V213 HydrophobicContact CE1-CG1 3.9Å; F70-V213 HydrophobicContact CE1-CG2 4.48Å; F70-V213 HydrophobicContact CZ-CG1 3.93Å
71V98.5Very high96.1Very high18 Ų1847.2 Ų47.211%0.10923%0.232CC..EExtended strand (participates in β ladder)trans-123.1132177.2-177.30000109.1F54 E55 K56 F187 L188 K189F54-V71 CarbonylContact C-O 3.53Å; F54-V71 WeakPolarHBondContact CA-O 3.46Å; E55-V71 HydrophobicContact CB-CB 4.37Å; E55-V71 HydrophobicContact CB-CG1 4.19Å; E55-V71 PolarHBondContact N-O 2.9Å; E55-V71 VanDerWaalsContact N-O 3.09Å; K56-V71 HydrophobicContact CB-CB 3.76Å; K56-V71 HydrophobicContact CB-CG2 3.84Å; K56-V71 HydrophobicContact CD-CG2 4.48Å; K56-V71 PolarHBondContact N-O 2.9Å; K56-V71 VanDerWaalsContact N-O 3.17Å; K56-V71 PolarHBondContact O-N 3.12Å; V71-F187 HydrophobicContact CG1-CB 3.84Å; V71-L188 CarbonylContact C-O 3.47Å; V71-L188 VanDerWaalsContact CA-O 3.26Å; V71-L188 WeakPolarHBondContact CA-O 3.07Å; V71-K189 HydrophobicContact CG2-CB 4.08Å; V71-K189 HydrophobicContact CG2-CG 4.04Å
72L98.3Very high96.2Very high0 Ų044.4 Ų44.40%022%0.217CC..EExtended strand (participates in β ladder)trans-110.6142.2175.6-58.1-176.9000111.7A52 H53 F54 F70 F187 L188 F190 V215A52-L72 HydrophobicContact CB-CD1 4.5Å; H53-L72 CarbonylContact O-C 3.56Å; H53-L72 VanDerWaalsContact O-CA 3.24Å; H53-L72 WeakPolarHBondContact O-CA 3.35Å; F54-L72 HydrophobicContact CD1-CD2 3.58Å; F54-L72 HydrophobicContact CD2-CD2 4.16Å; F54-L72 HydrophobicContact CE1-CD2 3.59Å; F54-L72 HydrophobicContact CE2-CD2 4.16Å; F54-L72 HydrophobicContact CG-CD2 3.88Å; F54-L72 HydrophobicContact CZ-CD2 3.88Å; F70-L72 HydrophobicContact CD2-CD2 3.92Å; F70-L72 HydrophobicContact CD2-CG 3.97Å; F70-L72 HydrophobicContact CE2-CD1 4.09Å; F70-L72 HydrophobicContact CE2-CD2 4.07Å; F70-L72 HydrophobicContact CE2-CG 3.88Å; L72-F187 CarbonylContact O-C 3.59Å; L72-F187 VanDerWaalsContact O-CA 3.26Å; L72-F187 WeakPolarHBondContact O-CA 3.39Å; L72-L188 PolarHBondContact N-O 2.83Å; L72-L188 PolarHBondContact O-N 3.22Å; L72-F190 HydrophobicContact CB-CE2 4.38Å; L72-F190 HydrophobicContact CD1-CD2 4.38Å; L72-F190 HydrophobicContact CD1-CE2 3.57Å; L72-F190 HydrophobicContact CD1-CZ 4.1Å; L72-F190 HydrophobicContact CG-CD2 4.35Å; L72-F190 HydrophobicContact CG-CE2 3.86Å; L72-V215 HydrophobicContact CD1-CB 4.35Å; L72-V215 HydrophobicContact CD1-CG1 3.81Å; L72-V215 HydrophobicContact CD1-CG2 3.74Å; L72-V215 HydrophobicContact CD2-CG2 4.23Å
73A97.9Very high96.2Very high4 Ų446.5 Ų46.53%0.03323%0.227CC..EExtended strand (participates in β ladder)trans-100.3146.6152.800000109.5A52 H53 E55 Y75 F187A52-A73 CarbonylContact C-O 3.06Å; A52-A73 VanDerWaalsContact CA-O 3.24Å; A52-A73 WeakPolarHBondContact CA-O 3.26Å; H53-A73 PolarHBondContact N-O 2.59Å; H53-A73 PolarHBondContact O-N 3.39Å; E55-A73 HydrophobicContact CG-CB 3.83Å; E55-A73 WeakPolarHBondContact OE1-CB 3.41Å; A73-Y75 HydrophobicContact CB-CE2 3.81Å; A73-F187 HydrophobicContact CB-CD1 3.94Å; A73-F187 HydrophobicContact CB-CE1 4.02Å
74L97.8Very high96.2Very high1 Ų142.3 Ų42.31%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-113138.7179.5-62.3-177.1000111.2L49 A52 V82 I84 L112 L114 L188L49-L74 HydrophobicContact CD1-CD1 4.2Å; L49-L74 HydrophobicContact CD1-CD2 4.42Å; L49-L74 HydrophobicContact CD2-CB 3.98Å; L49-L74 HydrophobicContact CD2-CD1 4.36Å; A52-L74 HydrophobicContact CB-CD2 3.79Å; L74-V82 HydrophobicContact CB-CB 4.44Å; L74-V82 PolarHBondContact O-N 3.42Å; L74-I84 HydrophobicContact CD1-CD1 3.77Å; L74-I84 HydrophobicContact CD1-CG1 4.49Å; L74-I84 HydrophobicContact CG-CD1 4.23Å; L74-L112 HydrophobicContact CD1-CD1 3.71Å; L74-L114 HydrophobicContact CD1-CD2 3.96Å; L74-L188 HydrophobicContact CD1-CD1 4.24Å
75Y96.8Very high96.3Very high48 Ų4843.4 Ų43.419%0.18822%0.217CC..EExtended strand (participates in β ladder)trans-132.2144.2180-56.6-93.6000112.9A50 R51 H53 A73 G79 Q80 P81A50-Y75 PolarHBondContact N-O 2.77Å; R51-Y75 HydrophobicContact CG-CD2 3.98Å; R51-Y75 HydrophobicContact CG-CG 4.19Å; R51-Y75 PolarHBondContact N-O 3.47Å; R51-Y75 PolarHBondContact O-N 3.49Å; H53-Y75 HydrophobicContact CB-CE2 3.88Å; A73-Y75 HydrophobicContact CB-CE2 3.81Å; Y75-G79 WeakPolarHBondContact CD1-O 3.47Å; Y75-Q80 WeakPolarHBondContact CA-O 3.29Å; Y75-P81 HydrophobicContact CD1-CB 4.45Å; Y75-P81 HydrophobicContact CE1-CB 4.31Å
76D95.4Very high96.4Very high4 Ų448.9 Ų48.92%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-79178.7176.270.117.3000113.5G48 Q78 G79 Q80 V82 Y116G48-D76 WeakPolarHBondContact O-CA 3.24Å; D76-Q78 PolarHBondContact O-N 3.23Å; D76-Q78 VanDerWaalsContact OD1-C 3.23Å; D76-Q78 VanDerWaalsContact OD1-CA 3.28Å; D76-Q78 WeakPolarHBondContact OD1-CA 3.35Å; D76-Q78 WeakPolarHBondContact OD1-CB 3.32Å; D76-Q78 PolarHBondContact OD1-N 3.46Å; D76-G79 PolarHBondContact O-N 2.9Å; D76-G79 PolarHBondContact OD1-N 2.72Å; D76-Q80 PolarHBondContact N-O 3Å; D76-Q80 PolarHBondContact OD1-N 2.92Å; D76-V82 HydrophobicContact CB-CG2 4.03Å; D76-Y116 HydrophobicContact CB-CD1 3.72Å; D76-Y116 HydrophobicContact CB-CE1 3.7Å
77R92.1Very high96.5Very high143 Ų14346.2 Ų46.254%0.5422%0.217SC..THydrogen-bonded Turntrans-63.2-17.7177-71.1177.6176.9-177.92.2113.9G48 A50G48-R77 PolarHBondContact O-N 3.03Å; A50-R77 HydrophobicContact CB-CB 4.39Å; A50-R77 HydrophobicContact CB-CG 3.92Å
78Q92.1Very high96.5Very high114 Ų11446.8 Ų46.853%0.53323%0.225SC..THydrogen-bonded Turntrans-96.51.7178-61.773.913.600111.4G46 D76 Q80G46-Q78 PolarHBondContact O-NE2 2.86Å; D76-Q78 PolarHBondContact O-N 3.23Å; D76-Q78 VanDerWaalsContact OD1-C 3.23Å; D76-Q78 VanDerWaalsContact OD1-CA 3.28Å; D76-Q78 WeakPolarHBondContact OD1-CA 3.35Å; D76-Q78 WeakPolarHBondContact OD1-CB 3.32Å; D76-Q78 PolarHBondContact OD1-N 3.46Å; Q78-Q80 VanDerWaalsContact C-N 3.29Å; Q78-Q80 HydrophobicContact CB-CG 4.38Å; Q78-Q80 PolarHBondContact O-N 3.26Å
79G92.7Very high96.4Very high29 Ų2949.1 Ų49.130%0.29924%0.236SC..SBendtrans78.26.1178.600000114.8R51 Y75 D76R51-G79 PolarHBondContact NH2-O 3.43Å; Y75-G79 WeakPolarHBondContact CD1-O 3.47Å; D76-G79 PolarHBondContact O-N 2.9Å; D76-G79 PolarHBondContact OD1-N 2.72Å
80Q95.1Very high96.3Very high95 Ų9548.1 Ų48.144%0.44424%0.235SC..  trans-78.8149179.4-54.9-57.1-4700111Y75 D76 Q78Y75-Q80 WeakPolarHBondContact CA-O 3.29Å; D76-Q80 PolarHBondContact N-O 3Å; D76-Q80 PolarHBondContact OD1-N 2.92Å; Q78-Q80 VanDerWaalsContact C-N 3.29Å; Q78-Q80 HydrophobicContact CB-CG 4.38Å; Q78-Q80 PolarHBondContact O-N 3.26Å
81P95.7Very high96.2Very high60 Ų6049.3 Ų49.339%0.3924%0.241SC..BIsolated β-bridgetrans-70.3142.8174.132.2-36000110.7Y75 F186Y75-P81 HydrophobicContact CD1-CB 4.45Å; Y75-P81 HydrophobicContact CE1-CB 4.31Å; P81-F186 HydrophobicContact CB-CD1 3.74Å; P81-F186 HydrophobicContact CB-CE1 3.95Å; P81-F186 HydrophobicContact CG-CD1 4.38Å; P81-F186 HydrophobicContact CG-CE1 4.12Å
82V97.1Very high96.1Very high0 Ų049.3 Ų49.30%024%0.24CC..  trans-105.4126.1-177.7-176.10000109.6L49 L74 D76 L114 Y116 F186L49-V82 HydrophobicContact CD2-CG2 4.1Å; L74-V82 HydrophobicContact CB-CB 4.44Å; L74-V82 PolarHBondContact O-N 3.42Å; D76-V82 HydrophobicContact CB-CG2 4.03Å; V82-L114 HydrophobicContact CG1-CB 3.87Å; V82-L114 HydrophobicContact CG1-CD1 4.39Å; V82-L114 HydrophobicContact CG1-CD2 4.14Å; V82-L114 HydrophobicContact CG1-CG 4.36Å; V82-Y116 HydrophobicContact CG1-CD1 4.24Å; V82-Y116 HydrophobicContact CG1-CD2 4.39Å; V82-Y116 HydrophobicContact CG1-CE1 4.17Å; V82-Y116 HydrophobicContact CG1-CE2 4.3Å; V82-Y116 HydrophobicContact CG1-CG 4.35Å; V82-Y116 HydrophobicContact CG2-CD1 3.9Å; V82-Y116 HydrophobicContact CG2-CE1 3.78Å; V82-F186 WeakPolarHBondContact O-CD1 3.25Å
83E97.1Very high95.9Very high53 Ų5349.3 Ų49.325%0.24824%0.24CC..EExtended strand (participates in β ladder)trans-72.9149.2174.2-81-166.3-130.400110.5L114 L115 R185 F186E83-L114 WeakPolarHBondContact O-CA 3.4Å; E83-L115 HydrophobicContact CB-CB 4.04Å; E83-L115 HydrophobicContact CB-CD2 4.38Å; E83-L115 HydrophobicContact CB-CG 4.43Å; E83-L115 PolarHBondContact N-O 2.93Å; E83-L115 PolarHBondContact O-N 3.06Å; E83-R185 HydrophobicContact CG-CB 4.32Å; E83-R185 IonicContact OE1-NH1 3.74Å; E83-R185 WeakPolarHBondContact OE2-CD 3.07Å; E83-R185 IonicContact OE2-CZ 3.69Å; E83-R185 IonicContact OE2-NE 2.72Å; E83-R185 IonicContact OE2-NH1 2.79Å; E83-R185 PolarHBondContact OE2-NH1 3.29Å; E83-F186 HydrophobicContact CB-CE1 4.26Å; E83-F186 HydrophobicContact CG-CD1 4.03Å; E83-F186 HydrophobicContact CG-CE1 3.32Å; E83-F186 HydrophobicContact CG-CE2 4.14Å; E83-F186 HydrophobicContact CG-CZ 3.37Å
84I97.2Very high95.5Very high7 Ų750.4 Ų50.44%0.03624%0.244CC..EExtended strand (participates in β ladder)trans-126.5114.1-173.3-46.4176.1000108.6L74 T87 L114 I182 R185 L188L74-I84 HydrophobicContact CD1-CD1 3.77Å; L74-I84 HydrophobicContact CD1-CG1 4.49Å; L74-I84 HydrophobicContact CG-CD1 4.23Å; I84-T87 HydrophobicContact CG2-CG2 4.23Å; I84-L114 HydrophobicContact CB-CD2 4.46Å; I84-L114 HydrophobicContact CG1-CD2 3.92Å; I84-L114 HydrophobicContact CG2-CD2 4.18Å; I84-I182 HydrophobicContact CG2-CD1 4.23Å; I84-I182 HydrophobicContact CG2-CG1 4.25Å; I84-R185 WeakPolarHBondContact CB-O 3.4Å; I84-R185 PolarHBondContact N-O 3.25Å; I84-L188 HydrophobicContact CD1-CD1 3.9Å; I84-L188 HydrophobicContact CD1-CD2 3.88Å; I84-L188 HydrophobicContact CD1-CG 3.51Å; I84-L188 HydrophobicContact CG2-CD2 4.09Å
85E95.9Very high95Very high68 Ų6857.8 Ų57.832%0.31828%0.276SS..EExtended strand (participates in β ladder)trans-92.7-35.2-173.9-63.3-172.9134.300112.4Q113 L115 R121E85-Q113 HydrophobicContact CB-CB 4.45Å; E85-Q113 HydrophobicContact CB-CG 4.31Å; E85-Q113 PolarHBondContact N-O 2.96Å; E85-Q113 PolarHBondContact OE2-NE2 2.82Å; E85-L115 HydrophobicContact CG-CB 4.22Å; E85-R121 VanDerWaalsContact CD-NE 3.26Å; E85-R121 IonicContact OE1-CZ 3.23Å; E85-R121 VanDerWaalsContact OE1-CZ 3.23Å; E85-R121 IonicContact OE1-NE 3.31Å; E85-R121 PolarHBondContact OE1-NE 3.24Å; E85-R121 IonicContact OE1-NH2 2.69Å; E85-R121 PolarHBondContact OE1-NH2 2.81Å; E85-R121 VanDerWaalsContact OE2-CD 3.3Å; E85-R121 WeakPolarHBondContact OE2-CD 3.21Å; E85-R121 IonicContact OE2-CZ 3.87Å; E85-R121 IonicContact OE2-NE 2.94Å; E85-R121 PolarHBondContact OE2-NE 3.14Å
86R96.3Very high94.4Very high162 Ų16263.8 Ų63.861%0.61131%0.306SS*.EExtended strand (participates in β ladder)trans-148.6153.7179.3-58.2-172.6176.9139.3-10.9112.3L112 Q113R86-L112 WeakPolarHBondContact O-CA 3.48Å; R86-Q113 HydrophobicContact CB-CB 3.81Å; R86-Q113 HydrophobicContact CG-CB 4.31Å; R86-Q113 PolarHBondContact N-O 2.87Å; R86-Q113 PolarHBondContact O-N 3.16Å
87T97.3Very high93.9Very high24 Ų2467.8 Ų67.815%0.14732%0.323CS..EExtended strand (participates in β ladder)trans-138.1132.5-18041.30000109.6I84 L112 P180 I182 L188I84-T87 HydrophobicContact CG2-CG2 4.23Å; T87-L112 HydrophobicContact CG2-CD2 3.5Å; T87-P180 VanDerWaalsContact CB-O 3.28Å; T87-P180 WeakPolarHBondContact CB-O 3.14Å; T87-P180 HydrophobicContact CG2-CB 4.04Å; T87-P180 WeakPolarHBondContact CG2-O 3.45Å; T87-P180 PolarHBondContact OG1-O 3Å; T87-I182 HydrophobicContact CG2-CD1 4.1Å; T87-I182 HydrophobicContact CG2-CG1 3.77Å; T87-L188 HydrophobicContact CG2-CD1 4.43Å; T87-L188 HydrophobicContact CG2-CD2 3.4Å; T87-L188 VanDerWaalsContact CG2-CD2 3.4Å
88T97.6Very high93.5Very high68 Ų6861.8 Ų61.842%0.41730%0.301SS..EExtended strand (participates in β ladder)trans-138.1140.2171.552.40000111.5Y110 R111 D179T88-Y110 CarbonylContact O-C 3.53Å; T88-Y110 WeakPolarHBondContact O-CA 3.49Å; T88-R111 PolarHBondContact N-O 3.29Å; T88-R111 PolarHBondContact O-N 3.2Å; T88-D179 WeakPolarHBondContact CA-OD1 3.48Å
89F97.6Very high92.7Very high53 Ų5359.1 Ų59.123%0.23229%0.293CS..EExtended strand (participates in β ladder)trans-71.9132158.7169.2-88.9000109.2F92 I108 Y110 T156 D179F89-F92 HydrophobicContact CE2-CE1 4.29Å; F89-F92 HydrophobicContact CE2-CE2 4.21Å; F89-F92 HydrophobicContact CE2-CZ 4.02Å; F89-F92 HydrophobicContact CZ-CD2 4.02Å; F89-F92 AromaticContact CZ-CE2 3.65Å; F89-F92 HydrophobicContact CZ-CE2 3.65Å; F89-F92 AromaticContact CZ-CZ 3.91Å; F89-F92 HydrophobicContact CZ-CZ 3.91Å; F89-I108 HydrophobicContact CD2-CG2 3.58Å; F89-I108 HydrophobicContact CE2-CG2 3.6Å; F89-Y110 HydrophobicContact CB-CD1 4.27Å; F89-Y110 HydrophobicContact CB-CE1 4.07Å; F89-Y110 HydrophobicContact CD2-CE1 4.13Å; F89-T156 HydrophobicContact CD2-CG2 3.79Å; F89-T156 HydrophobicContact CE2-CG2 3.71Å; F89-D179 PolarHBondContact N-OD1 2.9Å
90V96.4Very high91.5Very high59 Ų5964.9 Ų64.936%0.35832%0.322SS..EExtended strand (participates in β ladder)trans-106-60.9178.7-169.10000110.3H109 R111V90-H109 HydrophobicContact CB-CB 4.49Å; V90-H109 PolarHBondContact N-O 3.27Å; V90-R111 HydrophobicContact CG2-CB 3.71Å
91D95.4Very high90.3Very high25 Ų2564.2 Ų64.213%0.13434%0.341CS..EExtended strand (participates in β ladder)trans-164-174.7-174.359.670.8000113.5K97 H109D91-K97 IonicContact OD1-NZ 3.29Å; D91-K97 IonicContact OD2-NZ 2.78Å; D91-K97 PolarHBondContact OD2-NZ 2.93Å; D91-H109 PolarHBondContact N-O 3.28Å; D91-H109 PolarHBondContact O-N 2.73Å; D91-H109 VanDerWaalsContact OD1-CB 3.26Å; D91-H109 WeakPolarHBondContact OD1-CB 3.32Å; D91-H109 IonicContact OD1-CG 2.91Å; D91-H109 IonicContact OD1-ND1 3.66Å; D91-H109 PolarHBondContact OD1-ND1 3.21Å; D91-H109 IonicContact OD2-CE1 2.72Å; D91-H109 IonicContact OD2-CG 2.7Å; D91-H109 IonicContact OD2-ND1 3.23Å; D91-H109 PolarHBondContact OD2-ND1 2.74Å
92F96.3Very high89.5Confident18 Ų1863.8 Ų63.88%0.07933%0.334CS..EExtended strand (participates in β ladder)trans-103.4145.8171.6-66.2-80.3000110.8F89 E94 G107 I108 T156 I159F89-F92 HydrophobicContact CE2-CE1 4.29Å; F89-F92 HydrophobicContact CE2-CE2 4.21Å; F89-F92 HydrophobicContact CE2-CZ 4.02Å; F89-F92 HydrophobicContact CZ-CD2 4.02Å; F89-F92 AromaticContact CZ-CE2 3.65Å; F89-F92 HydrophobicContact CZ-CE2 3.65Å; F89-F92 AromaticContact CZ-CZ 3.91Å; F89-F92 HydrophobicContact CZ-CZ 3.91Å; F92-E94 PolarHBondContact O-N 3.41Å; F92-G107 WeakPolarHBondContact CA-O 3.41Å; F92-I108 HydrophobicContact CD1-CD1 4.49Å; F92-I108 HydrophobicContact CD1-CG1 3.65Å; F92-I108 HydrophobicContact CE1-CD1 4.02Å; F92-I108 HydrophobicContact CE1-CG1 3.65Å; F92-T156 HydrophobicContact CZ-CG2 4.36Å; F92-I159 HydrophobicContact CE2-CB 4.24Å; F92-I159 HydrophobicContact CE2-CG1 4.2Å; F92-I159 HydrophobicContact CE2-CG2 4.18Å; F92-I159 HydrophobicContact CZ-CB 4.31Å; F92-I159 HydrophobicContact CZ-CG2 3.79Å
93V93.9Very high89.1Confident1 Ų172 Ų721%0.00637%0.37CS..SBendtrans-75.895173.3176.50000108.9E98 N106 G107 Y127 V219V93-E98 HydrophobicContact CG1-CG 4.05Å; V93-N106 PolarHBondContact O-N 3.29Å; V93-G107 PolarHBondContact N-O 3.37Å; V93-Y127 HydrophobicContact CG2-CD1 3.91Å; V93-Y127 HydrophobicContact CG2-CE1 4.42Å; V93-V219 HydrophobicContact CG1-CG1 3.68Å
94E90.6Very high88.8Confident27 Ų2769.7 Ų69.713%0.12636%0.359CS..  trans-150.9160.9179.666.1-177.6-13500111.4F92 E96 K97 R152F92-E94 PolarHBondContact O-N 3.41Å; E94-E96 PolarHBondContact O-N 2.87Å; E94-K97 PolarHBondContact O-N 3.21Å; E94-K97 VanDerWaalsContact O-N 3.13Å; E94-R152 IonicContact OE1-NH2 3.27Å; E94-R152 PolarHBondContact OE1-NH2 2.88Å; E94-R152 IonicContact OE2-CZ 3.18Å; E94-R152 IonicContact OE2-NE 3.36Å; E94-R152 PolarHBondContact OE2-NE 2.67Å; E94-R152 IonicContact OE2-NH2 2.73Å; E94-R152 PolarHBondContact OE2-NH2 2.88Å
95K87.4Confident88.7Confident155 Ų15571.7 Ų71.767%0.67437%0.37SS*.G310 helixtrans59-122.6171.4-55.1161.4-178.91470111.8K97 E98K95-K97 PolarHBondContact O-N 2.91Å; K95-E98 PolarHBondContact N-OE2 2.89Å; K95-E98 PolarHBondContact O-N 3.44Å
96E83.8Confident88.7Confident174 Ų17468.5 Ų68.581%0.81336%0.355SS*.G310 helixtrans-66.8-12.6-179.868.1-155.5-171.300114.4E94E94-E96 PolarHBondContact O-N 2.87Å
97K83.6Confident88.7Confident88 Ų8860.9 Ų60.938%0.38333%0.327SS..G310 helixtrans-95.6-1.3178.3-63.3179.7179175.90113.2D91 E94 K95D91-K97 IonicContact OD1-NZ 3.29Å; D91-K97 IonicContact OD2-NZ 2.78Å; D91-K97 PolarHBondContact OD2-NZ 2.93Å; E94-K97 PolarHBondContact O-N 3.21Å; E94-K97 VanDerWaalsContact O-N 3.13Å; K95-K97 PolarHBondContact O-N 2.91Å
98E83.9Confident88.7Confident17 Ų1759.8 Ų59.88%0.07932%0.32CS..SBendtrans-84.9154.5172.4-60.9-167.989.600111.2V93 K95 T104 N105V93-E98 HydrophobicContact CG1-CG 4.05Å; K95-E98 PolarHBondContact N-OE2 2.89Å; K95-E98 PolarHBondContact O-N 3.44Å; E98-T104 VanDerWaalsContact OE1-CA 3.3Å; E98-T104 WeakPolarHBondContact OE1-CA 3.36Å; E98-T104 WeakPolarHBondContact OE1-CB 3.35Å; E98-T104 PolarHBondContact OE1-N 2.88Å; E98-T104 PolarHBondContact OE1-OG1 2.91Å; E98-N105 PolarHBondContact OE1-N 3.46Å
99T76.4Confident88.7Confident58 Ų5857.1 Ų57.136%0.35630%0.303SS..  trans-64.8137.5176.8-54.50000110.2G101 E102T99-G101 PolarHBondContact O-N 3Å; T99-E102 WeakPolarHBondContact O-CB 3.28Å; T99-E102 PolarHBondContact O-N 2.78Å
100T68.1Low88.7Confident150 Ų15054.6 Ų54.692%0.9229%0.292SS*.THydrogen-bonded Turntrans-50.2102.4-163.5-47.90000114.3
101G69.9Low88.8Confident81 Ų8155.7 Ų55.784%0.83529%0.29SS*.THydrogen-bonded Turntrans112.3-19.4177.600000114.6T99T99-G101 PolarHBondContact O-N 3Å
102E78.6Confident88.9Confident52 Ų5254.6 Ų54.624%0.24328%0.284CS..  trans-75.1144174-63-165156.400112.1T99 T104 R129T99-E102 WeakPolarHBondContact O-CB 3.28Å; T99-E102 PolarHBondContact O-N 2.78Å; E102-T104 HydrophobicContact CB-CG2 4.11Å; E102-R129 IonicContact OE2-NH1 3.34Å; E102-R129 IonicContact OE2-NH2 3.21Å; E102-R129 PolarHBondContact OE2-NH2 3.08Å
103K87.5Confident88.9Confident172 Ų17255.3 Ų55.375%0.74829%0.288SS*.  trans-13371.5167.9-71.9-172.4177.21790109.8
104T91.9Very high89.1Confident4 Ų455.3 Ų55.33%0.02529%0.287CS..  trans-85.5-33.6-177.469.30000112.9E98 E102 N106 R129 A138 V140 Y141E98-T104 VanDerWaalsContact OE1-CA 3.3Å; E98-T104 WeakPolarHBondContact OE1-CA 3.36Å; E98-T104 WeakPolarHBondContact OE1-CB 3.35Å; E98-T104 PolarHBondContact OE1-N 2.88Å; E98-T104 PolarHBondContact OE1-OG1 2.91Å; E102-T104 HydrophobicContact CB-CG2 4.11Å; T104-N106 PolarHBondContact O-N 3.34Å; T104-N106 WeakPolarHBondContact OG1-CB 3.25Å; T104-N106 PolarHBondContact OG1-N 3.28Å; T104-R129 PolarHBondContact OG1-NH2 3.5Å; T104-A138 HydrophobicContact CG2-CB 3.94Å; T104-V140 HydrophobicContact CG2-CG2 4.23Å; T104-Y141 PolarHBondContact O-N 2.92Å
105N94.8Very high89.3Confident50 Ų5055.3 Ų55.327%0.26729%0.288SS..  trans49.642.8-165.8-54.7-86.9000111.3E98 C151 R152 V153E98-N105 PolarHBondContact OE1-N 3.46Å; N105-C151 VanDerWaalsContact CB-O 3.28Å; N105-C151 WeakPolarHBondContact CB-O 3.32Å; N105-R152 CarbonylContact O-C 3.57Å; N105-R152 VanDerWaalsContact O-CA 3.26Å; N105-R152 WeakPolarHBondContact O-CA 3.43Å; N105-V153 PolarHBondContact O-N 2.7Å
106N96Very high89.7Confident0 Ų048.2 Ų48.20%026%0.257CS..  trans-133.996.5-169.717514.8000111.2V93 T104 R129 L130 I139 V153V93-N106 PolarHBondContact O-N 3.29Å; T104-N106 PolarHBondContact O-N 3.34Å; T104-N106 WeakPolarHBondContact OG1-CB 3.25Å; T104-N106 PolarHBondContact OG1-N 3.28Å; N106-R129 WeakPolarHBondContact O-CG 3.07Å; N106-R129 PolarHBondContact O-NE 3.39Å; N106-L130 PolarHBondContact ND2-O 2.67Å; N106-L130 PolarHBondContact OD1-N 3.24Å; N106-I139 WeakPolarHBondContact CB-O 3.37Å; N106-I139 PolarHBondContact ND2-N 3.35Å; N106-I139 VanDerWaalsContact ND2-N 3.17Å; N106-I139 PolarHBondContact ND2-O 3.1Å; N106-V153 HydrophobicContact CB-CB 3.71Å; N106-V153 HydrophobicContact CB-CG1 4.4Å; N106-V153 HydrophobicContact CB-CG2 3.64Å
107G95.8Very high90.1Very high3 Ų343.9 Ų43.93%0.03125%0.246CC..  trans160.6160.2163.800000111.6F92 V93 V128F92-G107 WeakPolarHBondContact CA-O 3.41Å; V93-G107 PolarHBondContact N-O 3.37Å; G107-V128 CarbonylContact C-O 3.5Å; G107-V128 WeakPolarHBondContact CA-O 3.5Å
108I97.7Very high90.4Very high0 Ų043.9 Ų43.90%025%0.251CS..EExtended strand (participates in β ladder)trans-123.1135.5169.4-66.5162.7000108.1F89 F92 Y110 Y127 V128 L154 T156 L192F89-I108 HydrophobicContact CD2-CG2 3.58Å; F89-I108 HydrophobicContact CE2-CG2 3.6Å; F92-I108 HydrophobicContact CD1-CD1 4.49Å; F92-I108 HydrophobicContact CD1-CG1 3.65Å; F92-I108 HydrophobicContact CE1-CD1 4.02Å; F92-I108 HydrophobicContact CE1-CG1 3.65Å; I108-Y110 HydrophobicContact CB-CE2 3.94Å; I108-Y110 HydrophobicContact CG2-CD1 4.36Å; I108-Y110 HydrophobicContact CG2-CD2 3.92Å; I108-Y110 HydrophobicContact CG2-CE1 3.85Å; I108-Y110 HydrophobicContact CG2-CE2 3.39Å; I108-Y110 HydrophobicContact CG2-CG 4.39Å; I108-Y127 WeakPolarHBondContact O-CA 3.05Å; I108-V128 PolarHBondContact N-O 2.91Å; I108-V128 PolarHBondContact O-N 3.38Å; I108-L154 HydrophobicContact CD1-CB 3.89Å; I108-L154 HydrophobicContact CG1-CB 4.24Å; I108-T156 HydrophobicContact CD1-CG2 3.91Å; I108-L192 HydrophobicContact CD1-CD1 4.46Å; I108-L192 HydrophobicContact CD1-CD2 3.35Å; I108-L192 HydrophobicContact CD1-CG 4.5Å
109H97.5Very high90.7Very high13 Ų1345 Ų456%0.0627%0.267CS..EExtended strand (participates in β ladder)trans-99.7120.5177.3179.2-153.6000108.9V90 D91 D125 Y127V90-H109 HydrophobicContact CB-CB 4.49Å; V90-H109 PolarHBondContact N-O 3.27Å; D91-H109 PolarHBondContact N-O 3.28Å; D91-H109 PolarHBondContact O-N 2.73Å; D91-H109 VanDerWaalsContact OD1-CB 3.26Å; D91-H109 WeakPolarHBondContact OD1-CB 3.32Å; D91-H109 IonicContact OD1-CG 2.91Å; D91-H109 IonicContact OD1-ND1 3.66Å; D91-H109 PolarHBondContact OD1-ND1 3.21Å; D91-H109 IonicContact OD2-CE1 2.72Å; D91-H109 IonicContact OD2-CG 2.7Å; D91-H109 IonicContact OD2-ND1 3.23Å; D91-H109 PolarHBondContact OD2-ND1 2.74Å; H109-D125 IonicContact NE2-OD1 2.63Å; H109-D125 PolarHBondContact NE2-OD1 2.88Å; H109-D125 IonicContact NE2-OD2 3.71Å; H109-Y127 HydrophobicContact CB-CD1 4.03Å; H109-Y127 HydrophobicContact CB-CE1 3.75Å; H109-Y127 AromaticContact CD2-CD1 3.96Å; H109-Y127 AromaticContact CD2-CE1 3.24Å; H109-Y127 WeakPolarHBondContact CD2-CE1 3.35Å; H109-Y127 AromaticContact CD2-CZ 3.45Å; H109-Y127 VanDerWaalsContact CD2-CZ 3.45Å; H109-Y127 AromaticContact CG-CE1 3.5Å; H109-Y127 AromaticContact NE2-CE1 3.92Å; H109-Y127 AromaticContact NE2-CZ 3.7Å; H109-Y127 PolarHBondContact NE2-OH 3.44Å
110Y98.1Very high91.5Very high0 Ų044.8 Ų44.80%026%0.263CS..EExtended strand (participates in β ladder)trans-115.7158.5176-67.3-71.1000110T88 F89 I108 D125 L126 V128 S178 P180 F190 L192T88-Y110 CarbonylContact O-C 3.53Å; T88-Y110 WeakPolarHBondContact O-CA 3.49Å; F89-Y110 HydrophobicContact CB-CD1 4.27Å; F89-Y110 HydrophobicContact CB-CE1 4.07Å; F89-Y110 HydrophobicContact CD2-CE1 4.13Å; I108-Y110 HydrophobicContact CB-CE2 3.94Å; I108-Y110 HydrophobicContact CG2-CD1 4.36Å; I108-Y110 HydrophobicContact CG2-CD2 3.92Å; I108-Y110 HydrophobicContact CG2-CE1 3.85Å; I108-Y110 HydrophobicContact CG2-CE2 3.39Å; I108-Y110 HydrophobicContact CG2-CG 4.39Å; Y110-D125 CarbonylContact O-C 3.59Å; Y110-D125 WeakPolarHBondContact O-CA 3.43Å; Y110-L126 WeakPolarHBondContact CB-O 3.46Å; Y110-L126 PolarHBondContact N-O 3.27Å; Y110-L126 PolarHBondContact O-N 2.91Å; Y110-V128 HydrophobicContact CD2-CG2 4.01Å; Y110-V128 HydrophobicContact CE2-CB 4.36Å; Y110-V128 HydrophobicContact CE2-CG2 3.92Å; Y110-S178 WeakPolarHBondContact CE1-O 3.42Å; Y110-P180 VanDerWaalsContact CD1-CD 3.5Å; Y110-P180 HydrophobicContact CD1-CG 3.53Å; Y110-P180 VanDerWaalsContact CE1-CD 3.5Å; Y110-P180 HydrophobicContact CE1-CG 3.6Å; Y110-P180 HydrophobicContact CG-CG 4.03Å; Y110-F190 HydrophobicContact CD2-CD1 4.12Å; Y110-F190 AromaticContact CD2-CE1 3.69Å; Y110-F190 HydrophobicContact CD2-CE1 3.69Å; Y110-F190 AromaticContact CE2-CD1 3.59Å; Y110-F190 HydrophobicContact CE2-CD1 3.59Å; Y110-F190 AromaticContact CE2-CE1 3.68Å; Y110-F190 HydrophobicContact CE2-CE1 3.68Å; Y110-F190 HydrophobicContact CG-CE1 4.21Å; Y110-F190 AromaticContact CZ-CD1 3.87Å; Y110-L192 WeakPolarHBondContact OH-CD2 3.34Å
111R97.7Very high92.8Very high81 Ų8141 Ų4131%0.30623%0.232SC..EExtended strand (participates in β ladder)trans-129.8139.2170-172.4174.5-71.5-159.4-9.2111T88 V90 E123 D125T88-R111 PolarHBondContact N-O 3.29Å; T88-R111 PolarHBondContact O-N 3.2Å; V90-R111 HydrophobicContact CG2-CB 3.71Å; R111-E123 WeakPolarHBondContact CD-OE1 3.26Å; R111-E123 HydrophobicContact CG-CG 3.96Å; R111-E123 IonicContact CZ-OE1 3.71Å; R111-E123 IonicContact NE-OE1 2.73Å; R111-E123 IonicContact NH1-OE1 2.73Å; R111-E123 PolarHBondContact NH1-OE1 2.88Å; R111-D125 IonicContact CZ-OD1 2.67Å; R111-D125 VanDerWaalsContact CZ-OD1 3.23Å; R111-D125 IonicContact NE-OD1 2.64Å; R111-D125 PolarHBondContact NE-OD1 2.98Å; R111-D125 IonicContact NH2-OD1 3.84Å; R111-D125 PolarHBondContact NH2-OD1 3.36Å; R111-D125 IonicContact NH2-OD2 2.84Å; R111-D125 PolarHBondContact NH2-OD2 2.93Å
112L97.5Very high93.9Very high2 Ų237.2 Ų37.21%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-122.1135.8-175.6-54.7-177.9000110.2L74 R86 T87 L114 Q124 L126 L188L74-L112 HydrophobicContact CD1-CD1 3.71Å; R86-L112 WeakPolarHBondContact O-CA 3.48Å; T87-L112 HydrophobicContact CG2-CD2 3.5Å; L112-L114 HydrophobicContact CB-CD2 3.86Å; L112-L114 HydrophobicContact CB-CG 4.02Å; L112-L114 HydrophobicContact CD1-CD2 4.07Å; L112-Q124 PolarHBondContact N-O 2.83Å; L112-Q124 PolarHBondContact O-N 3.2Å; L112-L126 HydrophobicContact CD1-CB 4.29Å; L112-L126 HydrophobicContact CD1-CD2 4.11Å; L112-L126 HydrophobicContact CG-CB 4.45Å; L112-L188 HydrophobicContact CD1-CD1 3.73Å; L112-L188 HydrophobicContact CD2-CD1 3.71Å; L112-L188 HydrophobicContact CG-CD1 4.41Å
113Q97.1Very high94.8Very high34 Ų3439.1 Ų39.116%0.15920%0.201CC..EExtended strand (participates in β ladder)trans-94.8107.9162-171.3179.7-40.500107.3E85 R86E85-Q113 HydrophobicContact CB-CB 4.45Å; E85-Q113 HydrophobicContact CB-CG 4.31Å; E85-Q113 PolarHBondContact N-O 2.96Å; E85-Q113 PolarHBondContact OE2-NE2 2.82Å; R86-Q113 HydrophobicContact CB-CB 3.81Å; R86-Q113 HydrophobicContact CG-CB 4.31Å; R86-Q113 PolarHBondContact N-O 2.87Å; R86-Q113 PolarHBondContact O-N 3.16Å
114L96.4Very high95.1Very high0 Ų031.8 Ų31.80%017%0.17CC..EExtended strand (participates in β ladder)trans-102.4148.8-175.6-60.1176.8000110.9L49 L74 V82 E83 I84 L112 Y116 R121 T122 Q124L49-L114 HydrophobicContact CD1-CD1 4.02Å; L49-L114 HydrophobicContact CD2-CD1 3.92Å; L49-L114 HydrophobicContact CG-CD1 3.94Å; L74-L114 HydrophobicContact CD1-CD2 3.96Å; V82-L114 HydrophobicContact CG1-CB 3.87Å; V82-L114 HydrophobicContact CG1-CD1 4.39Å; V82-L114 HydrophobicContact CG1-CD2 4.14Å; V82-L114 HydrophobicContact CG1-CG 4.36Å; E83-L114 WeakPolarHBondContact O-CA 3.4Å; I84-L114 HydrophobicContact CB-CD2 4.46Å; I84-L114 HydrophobicContact CG1-CD2 3.92Å; I84-L114 HydrophobicContact CG2-CD2 4.18Å; L112-L114 HydrophobicContact CB-CD2 3.86Å; L112-L114 HydrophobicContact CB-CG 4.02Å; L112-L114 HydrophobicContact CD1-CD2 4.07Å; L114-Y116 HydrophobicContact CB-CE2 4.01Å; L114-Y116 HydrophobicContact CD1-CE2 4.43Å; L114-R121 CarbonylContact O-C 3.54Å; L114-R121 WeakPolarHBondContact O-CA 3.18Å; L114-T122 PolarHBondContact N-O 3.34Å; L114-T122 PolarHBondContact O-N 3.15Å; L114-Q124 HydrophobicContact CD1-CB 3.65Å; L114-Q124 HydrophobicContact CD1-CG 3.89Å; L114-Q124 HydrophobicContact CG-CB 4.28Å
115L96.3Very high95.3Very high27 Ų2733.8 Ų33.814%0.14118%0.18CC..EExtended strand (participates in β ladder)trans-125.2116.8172.9173.964.2000108.8E83 E85 R121E83-L115 HydrophobicContact CB-CB 4.04Å; E83-L115 HydrophobicContact CB-CD2 4.38Å; E83-L115 HydrophobicContact CB-CG 4.43Å; E83-L115 PolarHBondContact N-O 2.93Å; E83-L115 PolarHBondContact O-N 3.06Å; E85-L115 HydrophobicContact CG-CB 4.22Å; L115-R121 HydrophobicContact CD1-CG 3.85Å
116Y94.9Very high95.4Very high6 Ų631.4 Ų31.42%0.02417%0.168CC..  trans-86.4161.3-179.4-70.3-98.3000111.6V47 G48 L49 D76 V82 L114 N118 G119 I120 T122V47-Y116 HydrophobicContact CG1-CD1 3.65Å; V47-Y116 HydrophobicContact CG1-CD2 3.7Å; V47-Y116 HydrophobicContact CG1-CE1 3.9Å; V47-Y116 HydrophobicContact CG1-CE2 3.97Å; V47-Y116 HydrophobicContact CG1-CG 3.55Å; G48-Y116 WeakPolarHBondContact CA-OH 3.28Å; L49-Y116 PolarHBondContact N-OH 3.43Å; D76-Y116 HydrophobicContact CB-CD1 3.72Å; D76-Y116 HydrophobicContact CB-CE1 3.7Å; V82-Y116 HydrophobicContact CG1-CD1 4.24Å; V82-Y116 HydrophobicContact CG1-CD2 4.39Å; V82-Y116 HydrophobicContact CG1-CE1 4.17Å; V82-Y116 HydrophobicContact CG1-CE2 4.3Å; V82-Y116 HydrophobicContact CG1-CG 4.35Å; V82-Y116 HydrophobicContact CG2-CD1 3.9Å; V82-Y116 HydrophobicContact CG2-CE1 3.78Å; L114-Y116 HydrophobicContact CB-CE2 4.01Å; L114-Y116 HydrophobicContact CD1-CE2 4.43Å; Y116-N118 WeakPolarHBondContact CB-OD1 3.45Å; Y116-N118 PolarHBondContact O-N 3.17Å; Y116-G119 PolarHBondContact O-N 2.89Å; Y116-I120 PolarHBondContact N-O 2.89Å; Y116-T122 HydrophobicContact CD2-CG2 4.11Å; Y116-T122 HydrophobicContact CE2-CG2 3.62Å; Y116-T122 WeakPolarHBondContact CE2-OG1 3.46Å
117S92Very high95.5Very high84 Ų8433 Ų3359%0.58717%0.174SC*.THydrogen-bonded Turntrans-54.5-24.7178.457.20000114.5G119S117-G119 VanDerWaalsContact C-N 3.34Å
118N90.3Very high95.6Very high88 Ų8832.8 Ų32.847%0.47117%0.172SC..THydrogen-bonded Turntrans-875.7175.663.810.2000114.3V47 Y116 I120V47-N118 WeakPolarHBondContact CG2-ND2 3.42Å; Y116-N118 WeakPolarHBondContact CB-OD1 3.45Å; Y116-N118 PolarHBondContact O-N 3.17Å; N118-I120 VanDerWaalsContact C-N 3.31Å; N118-I120 PolarHBondContact O-N 3.09Å; N118-I120 WeakPolarHBondContact OD1-CB 3.28Å; N118-I120 WeakPolarHBondContact OD1-CG1 3.18Å; N118-I120 PolarHBondContact OD1-N 3.1Å; N118-I120 VanDerWaalsContact OD1-N 3.08Å
119G90.8Very high95.6Very high41 Ų4132.9 Ų32.942%0.42317%0.172SC..SBendtrans81.8-2179.800000115.6Y116 S117Y116-G119 PolarHBondContact O-N 2.89Å; S117-G119 VanDerWaalsContact C-N 3.34Å
120I92Very high95.6Very high53 Ų5332.2 Ų32.227%0.27217%0.169SC..  trans-74.9136.7177.3-63.9178.6000109.9L37 V47 Y116 N118 T122L37-I120 HydrophobicContact CD1-CG2 3.78Å; L37-I120 HydrophobicContact CG-CG2 4.45Å; V47-I120 HydrophobicContact CG2-CD1 4.29Å; Y116-I120 PolarHBondContact N-O 2.89Å; N118-I120 VanDerWaalsContact C-N 3.31Å; N118-I120 PolarHBondContact O-N 3.09Å; N118-I120 WeakPolarHBondContact OD1-CB 3.28Å; N118-I120 WeakPolarHBondContact OD1-CG1 3.18Å; N118-I120 PolarHBondContact OD1-N 3.1Å; N118-I120 VanDerWaalsContact OD1-N 3.08Å; I120-T122 HydrophobicContact CG2-CG2 4.34Å
121R95.4Very high95.6Very high70 Ų7032.5 Ų32.526%0.26417%0.171SC..EExtended strand (participates in β ladder)trans-101.5139.2173.1-72.3178.2172.2739.6111.2V36 L37 E85 L114 L115V36-R121 HydrophobicContact CB-CB 4.47Å; V36-R121 HydrophobicContact CG1-CB 4.45Å; V36-R121 HydrophobicContact CG2-CB 4.12Å; L37-R121 PolarHBondContact N-O 3.38Å; E85-R121 VanDerWaalsContact CD-NE 3.26Å; E85-R121 IonicContact OE1-CZ 3.23Å; E85-R121 VanDerWaalsContact OE1-CZ 3.23Å; E85-R121 IonicContact OE1-NE 3.31Å; E85-R121 PolarHBondContact OE1-NE 3.24Å; E85-R121 IonicContact OE1-NH2 2.69Å; E85-R121 PolarHBondContact OE1-NH2 2.81Å; E85-R121 VanDerWaalsContact OE2-CD 3.3Å; E85-R121 WeakPolarHBondContact OE2-CD 3.21Å; E85-R121 IonicContact OE2-CZ 3.87Å; E85-R121 IonicContact OE2-NE 2.94Å; E85-R121 PolarHBondContact OE2-NE 3.14Å; L114-R121 CarbonylContact O-C 3.54Å; L114-R121 WeakPolarHBondContact O-CA 3.18Å; L115-R121 HydrophobicContact CD1-CG 3.85Å
122T94.6Very high95.5Very high1 Ų129.3 Ų29.31%0.00616%0.16CC..EExtended strand (participates in β ladder)trans-132.3142.1173.974.60000113.2L37 A42 L114 Y116 I120L37-T122 CarbonylContact O-C 3.55Å; L37-T122 WeakPolarHBondContact O-CA 3.24Å; A42-T122 HydrophobicContact CB-CG2 3.47Å; A42-T122 VanDerWaalsContact CB-CG2 3.47Å; L114-T122 PolarHBondContact N-O 3.34Å; L114-T122 PolarHBondContact O-N 3.15Å; Y116-T122 HydrophobicContact CD2-CG2 4.11Å; Y116-T122 HydrophobicContact CE2-CG2 3.62Å; Y116-T122 WeakPolarHBondContact CE2-OG1 3.46Å; I120-T122 HydrophobicContact CG2-CG2 4.34Å
123E95.8Very high95.4Very high93 Ų9329.8 Ų29.844%0.43516%0.163SC..EExtended strand (participates in β ladder)trans-87.4115.4163.1-168171.6-175.100108.4V36 L37 A39 R111V36-E123 HydrophobicContact CG1-CB 3.89Å; L37-E123 PolarHBondContact O-N 2.82Å; A39-E123 PolarHBondContact N-O 2.8Å; R111-E123 WeakPolarHBondContact CD-OE1 3.26Å; R111-E123 HydrophobicContact CG-CG 3.96Å; R111-E123 IonicContact CZ-OE1 3.71Å; R111-E123 IonicContact NE-OE1 2.73Å; R111-E123 IonicContact NH1-OE1 2.73Å; R111-E123 PolarHBondContact NH1-OE1 2.88Å
124Q95.4Very high95.2Very high18 Ų1835.4 Ų35.48%0.08419%0.191CC..EExtended strand (participates in β ladder)trans-126.2118.8-172174.966.982.400110.6L49 L112 L114L49-Q124 HydrophobicContact CD1-CG 3.98Å; L112-Q124 PolarHBondContact N-O 2.83Å; L112-Q124 PolarHBondContact O-N 3.2Å; L114-Q124 HydrophobicContact CD1-CB 3.65Å; L114-Q124 HydrophobicContact CD1-CG 3.89Å; L114-Q124 HydrophobicContact CG-CB 4.28Å
125D96.2Very high95.1Very high46 Ų4639.7 Ų39.725%0.24622%0.217CC..EExtended strand (participates in β ladder)trans-72.7139.1168.6-66-38.7000110.2H109 Y110 R111 Y127H109-D125 IonicContact NE2-OD1 2.63Å; H109-D125 PolarHBondContact NE2-OD1 2.88Å; H109-D125 IonicContact NE2-OD2 3.71Å; Y110-D125 CarbonylContact O-C 3.59Å; Y110-D125 WeakPolarHBondContact O-CA 3.43Å; R111-D125 IonicContact CZ-OD1 2.67Å; R111-D125 VanDerWaalsContact CZ-OD1 3.23Å; R111-D125 IonicContact NE-OD1 2.64Å; R111-D125 PolarHBondContact NE-OD1 2.98Å; R111-D125 IonicContact NH2-OD1 3.84Å; R111-D125 PolarHBondContact NH2-OD1 3.36Å; R111-D125 IonicContact NH2-OD2 2.84Å; R111-D125 PolarHBondContact NH2-OD2 2.93Å; D125-Y127 HydrophobicContact CB-CE2 4.27Å
126L96.9Very high95.1Very high0 Ų043.4 Ų43.40%023%0.232CC..EExtended strand (participates in β ladder)trans-136131.5-178.2-170.385.7000109.9L49 Y110 L112 F190 V215 L226L49-L126 HydrophobicContact CD1-CD1 4.46Å; Y110-L126 WeakPolarHBondContact CB-O 3.46Å; Y110-L126 PolarHBondContact N-O 3.27Å; Y110-L126 PolarHBondContact O-N 2.91Å; L112-L126 HydrophobicContact CD1-CB 4.29Å; L112-L126 HydrophobicContact CD1-CD2 4.11Å; L112-L126 HydrophobicContact CG-CB 4.45Å; L126-F190 HydrophobicContact CD2-CE1 4.28Å; L126-F190 HydrophobicContact CD2-CZ 3.81Å; L126-V215 HydrophobicContact CD1-CG1 3.79Å; L126-V215 HydrophobicContact CD2-CG1 4.08Å; L126-V215 HydrophobicContact CG-CG1 4.1Å; L126-L226 HydrophobicContact CD1-CD1 3.68Å
127Y97.4Very high95Very high32 Ų3247 Ų4713%0.12525%0.249CC..EExtended strand (participates in β ladder)trans-111.5139-179.6-59.5-85000111.2V93 I108 H109 D125 V215 S216 T218 V219V93-Y127 HydrophobicContact CG2-CD1 3.91Å; V93-Y127 HydrophobicContact CG2-CE1 4.42Å; I108-Y127 WeakPolarHBondContact O-CA 3.05Å; H109-Y127 HydrophobicContact CB-CD1 4.03Å; H109-Y127 HydrophobicContact CB-CE1 3.75Å; H109-Y127 AromaticContact CD2-CD1 3.96Å; H109-Y127 AromaticContact CD2-CE1 3.24Å; H109-Y127 WeakPolarHBondContact CD2-CE1 3.35Å; H109-Y127 AromaticContact CD2-CZ 3.45Å; H109-Y127 VanDerWaalsContact CD2-CZ 3.45Å; H109-Y127 AromaticContact CG-CE1 3.5Å; H109-Y127 AromaticContact NE2-CE1 3.92Å; H109-Y127 AromaticContact NE2-CZ 3.7Å; H109-Y127 PolarHBondContact NE2-OH 3.44Å; D125-Y127 HydrophobicContact CB-CE2 4.27Å; Y127-V215 WeakPolarHBondContact O-CA 3.08Å; Y127-S216 PolarHBondContact N-O 2.96Å; Y127-S216 PolarHBondContact O-N 2.69Å; Y127-S216 VanDerWaalsContact O-N 3.1Å; Y127-T218 WeakPolarHBondContact CD2-O 3.28Å; Y127-V219 HydrophobicContact CD1-CG2 3.83Å; Y127-V219 HydrophobicContact CE1-CG2 3.53Å; Y127-V219 HydrophobicContact CE2-CG2 4.25Å; Y127-V219 HydrophobicContact CG-CG2 4.32Å
128V98.1Very high95.1Very high0 Ų043.4 Ų43.40%023%0.225CC..EExtended strand (participates in β ladder)trans-120114.3170.6-178.30000108.6F70 G107 I108 Y110 L154 F190 L192 V213 V214F70-V128 HydrophobicContact CE1-CG1 4.33Å; F70-V128 HydrophobicContact CZ-CG1 3.89Å; F70-V128 HydrophobicContact CZ-CG2 4.31Å; G107-V128 CarbonylContact C-O 3.5Å; G107-V128 WeakPolarHBondContact CA-O 3.5Å; I108-V128 PolarHBondContact N-O 2.91Å; I108-V128 PolarHBondContact O-N 3.38Å; Y110-V128 HydrophobicContact CD2-CG2 4.01Å; Y110-V128 HydrophobicContact CE2-CB 4.36Å; Y110-V128 HydrophobicContact CE2-CG2 3.92Å; V128-L154 HydrophobicContact CG1-CD1 4.39Å; V128-L154 WeakPolarHBondContact O-CD1 3.48Å; V128-F190 HydrophobicContact CG2-CD1 4.28Å; V128-F190 HydrophobicContact CG2-CE1 4.1Å; V128-L192 HydrophobicContact CG1-CD1 3.87Å; V128-V213 HydrophobicContact CG1-CG1 3.6Å; V128-V214 WeakPolarHBondContact CA-O 3.17Å
129R97.1Very high95.4Very high1 Ų139.2 Ų39.20%0.00420%0.202CC..EExtended strand (participates in β ladder)trans-124.5158.7178.4-58.9-173.974.5-164.6-0.1110E102 T104 N106 V214 V219 V221E102-R129 IonicContact OE2-NH1 3.34Å; E102-R129 IonicContact OE2-NH2 3.21Å; E102-R129 PolarHBondContact OE2-NH2 3.08Å; T104-R129 PolarHBondContact OG1-NH2 3.5Å; N106-R129 WeakPolarHBondContact O-CG 3.07Å; N106-R129 PolarHBondContact O-NE 3.39Å; R129-V214 PolarHBondContact N-O 2.59Å; R129-V214 VanDerWaalsContact N-O 3.14Å; R129-V214 PolarHBondContact O-N 3.25Å; R129-V219 WeakPolarHBondContact CD-O 3.34Å; R129-V219 PolarHBondContact NH1-O 3.2Å; R129-V221 HydrophobicContact CB-CG1 4.1Å; R129-V221 HydrophobicContact CG-CG1 4.43Å
130L97.9Very high95.6Very high0 Ų040 Ų400%020%0.199CC..EExtended strand (participates in β ladder)trans-97.8136.2166.8-61.6-168.1000111.4N106 I139 V153 L154 C194 F211 Q212 V213 M232N106-L130 PolarHBondContact ND2-O 2.67Å; N106-L130 PolarHBondContact OD1-N 3.24Å; L130-I139 HydrophobicContact CB-CB 4.31Å; L130-I139 HydrophobicContact CB-CG1 3.98Å; L130-I139 PolarHBondContact O-N 3Å; L130-V153 HydrophobicContact CB-CG1 4.16Å; L130-V153 HydrophobicContact CD1-CG1 3.78Å; L130-V153 HydrophobicContact CG-CG1 4.13Å; L130-L154 HydrophobicContact CD1-CD2 3.98Å; L130-L154 HydrophobicContact CD1-CG 4.49Å; L130-L154 HydrophobicContact CD2-CD1 4.46Å; L130-L154 HydrophobicContact CD2-CD2 4.19Å; L130-L154 HydrophobicContact CG-CD1 4.17Å; L130-L154 HydrophobicContact CG-CD2 3.89Å; L130-L154 HydrophobicContact CG-CG 4.07Å; L130-C194 HydrophobicContact CD1-CB 4.29Å; L130-C194 VanDerWaalsContact CD1-SG 3.5Å; L130-F211 HydrophobicContact CD1-CB 4.37Å; L130-F211 HydrophobicContact CD1-CD2 3.85Å; L130-F211 HydrophobicContact CD1-CG 4.44Å; L130-Q212 WeakPolarHBondContact CA-O 3.45Å; L130-V213 HydrophobicContact CD2-CB 4.29Å; L130-V213 HydrophobicContact CD2-CG2 3.73Å; L130-M232 HydrophobicContact CD1-CE 4.26Å; L130-M232 HydrophobicContact CD2-CE 4.19Å
131I97.1Very high95.8Very high6 Ų638.6 Ų38.63%0.03119%0.191CC..EExtended strand (participates in β ladder)trans-114.8162.7169.466.6174.5000111.7K136 Q137 F211 Q212 V214 V221 V228I131-K136 WeakPolarHBondContact CB-O 3.24Å; I131-K136 HydrophobicContact CD1-CB 4.28Å; I131-K136 HydrophobicContact CD1-CD 3.89Å; I131-K136 WeakPolarHBondContact CG2-O 3.27Å; I131-Q137 CarbonylContact C-O 3.55Å; I131-Q137 VanDerWaalsContact CA-O 3.3Å; I131-Q137 WeakPolarHBondContact CA-O 3.33Å; I131-F211 CarbonylContact O-C 3.58Å; I131-F211 VanDerWaalsContact O-CA 3.24Å; I131-F211 WeakPolarHBondContact O-CA 3.3Å; I131-Q212 HydrophobicContact CD1-CB 4.49Å; I131-Q212 HydrophobicContact CG1-CB 3.98Å; I131-Q212 PolarHBondContact N-O 3.01Å; I131-Q212 PolarHBondContact O-N 2.92Å; I131-V214 HydrophobicContact CB-CG2 4.1Å; I131-V214 HydrophobicContact CD1-CG2 3.49Å; I131-V214 VanDerWaalsContact CD1-CG2 3.49Å; I131-V214 HydrophobicContact CG1-CG2 3.61Å; I131-V214 HydrophobicContact CG2-CB 4.45Å; I131-V214 HydrophobicContact CG2-CG2 3.48Å; I131-V214 VanDerWaalsContact CG2-CG2 3.48Å; I131-V221 HydrophobicContact CG2-CB 3.95Å; I131-V221 HydrophobicContact CG2-CG1 4.08Å; I131-V221 HydrophobicContact CG2-CG2 3.99Å; I131-V228 HydrophobicContact CD1-CG1 4.09Å
132D96.3Very high95.7Very high13 Ų1339.2 Ų39.27%0.0720%0.197CC..EExtended strand (participates in β ladder)trans-71.4133.3167.9-161.4-72.7000111M134 T135 K136 Q137 I139 R209D132-M134 PolarHBondContact O-N 3.46Å; D132-M134 PolarHBondContact OD1-N 3.1Å; D132-T135 WeakPolarHBondContact CB-OG1 3.26Å; D132-T135 PolarHBondContact OD1-N 3.13Å; D132-K136 VanDerWaalsContact O-CA 3.3Å; D132-K136 WeakPolarHBondContact O-CA 3.35Å; D132-K136 PolarHBondContact O-N 3.45Å; D132-Q137 PolarHBondContact N-O 3.44Å; D132-I139 HydrophobicContact CB-CD1 3.87Å; D132-R209 WeakPolarHBondContact OD2-CG 3.44Å; D132-R209 IonicContact OD2-CZ 3.72Å; D132-R209 IonicContact OD2-NE 3.95Å; D132-R209 PolarHBondContact OD2-NE 3Å; D132-R209 IonicContact OD2-NH2 2.77Å; D132-R209 PolarHBondContact OD2-NH2 3.45Å
133S95.7Very high95.4Very high12 Ų1240.5 Ų40.58%0.08421%0.21CC..THydrogen-bonded Turntrans-61.6-28.1179.960.60000113.4K136 R210 N231S133-K136 PolarHBondContact O-NZ 3.26Å; S133-R210 WeakPolarHBondContact CB-O 3.48Å; S133-R210 PolarHBondContact N-O 3.11Å; S133-R210 PolarHBondContact OG-O 2.83Å; S133-N231 WeakPolarHBondContact CB-OD1 3.45Å
134M93.6Very high95Very high153 Ų15345.9 Ų45.975%0.75424%0.235SC*.THydrogen-bonded Turntrans-96.5-53.7-176.5-64.2-55.1-69.100112.1D132D132-M134 PolarHBondContact O-N 3.46Å; D132-M134 PolarHBondContact OD1-N 3.1Å
135T94.3Very high94.7Very high89 Ų8948.6 Ų48.655%0.54625%0.25SS..THydrogen-bonded Turntrans-87.1-9.7-173.963.80000114.1D132 Q137D132-T135 WeakPolarHBondContact CB-OG1 3.26Å; D132-T135 PolarHBondContact OD1-N 3.13Å; T135-Q137 PolarHBondContact O-N 2.68Å
136K94.7Very high94.4Very high105 Ų10556.4 Ų56.446%0.45728%0.282SS..  trans58.5-0.8-173.2-51.2-51.1-172.6-163.60116.1I131 D132 S133I131-K136 WeakPolarHBondContact CB-O 3.24Å; I131-K136 HydrophobicContact CD1-CB 4.28Å; I131-K136 HydrophobicContact CD1-CD 3.89Å; I131-K136 WeakPolarHBondContact CG2-O 3.27Å; D132-K136 VanDerWaalsContact O-CA 3.3Å; D132-K136 WeakPolarHBondContact O-CA 3.35Å; D132-K136 PolarHBondContact O-N 3.45Å; S133-K136 PolarHBondContact O-NZ 3.26Å
137Q94.2Very high94Very high81 Ų8159.4 Ų59.438%0.37930%0.298SS..PPolyproline II helixtrans-67.2149.5175.3-72.8-64.5-35.800112I131 D132 T135 I139 E222I131-Q137 CarbonylContact C-O 3.55Å; I131-Q137 VanDerWaalsContact CA-O 3.3Å; I131-Q137 WeakPolarHBondContact CA-O 3.33Å; D132-Q137 PolarHBondContact N-O 3.44Å; T135-Q137 PolarHBondContact O-N 2.68Å; Q137-I139 PolarHBondContact O-N 2.91Å; Q137-E222 PolarHBondContact NE2-OE1 2.77Å
138A94.6Very high93.6Very high9 Ų962.6 Ų62.67%0.07432%0.322CS..BIsolated β-bridgetrans-60.6135.717600000111.2T104 V140 V221T104-A138 HydrophobicContact CG2-CB 3.94Å; A138-V140 PolarHBondContact O-N 3.24Å; A138-V221 HydrophobicContact CB-CG2 4.13Å
139I96Very high93.1Very high0 Ų066.6 Ų66.60%034%0.341CS..PPolyproline II helixtrans-67.6127.8174.8-59.1-54.5000109.4N106 L130 D132 Q137 V153 Q196 F211N106-I139 WeakPolarHBondContact CB-O 3.37Å; N106-I139 PolarHBondContact ND2-N 3.35Å; N106-I139 VanDerWaalsContact ND2-N 3.17Å; N106-I139 PolarHBondContact ND2-O 3.1Å; L130-I139 HydrophobicContact CB-CB 4.31Å; L130-I139 HydrophobicContact CB-CG1 3.98Å; L130-I139 PolarHBondContact O-N 3Å; D132-I139 HydrophobicContact CB-CD1 3.87Å; Q137-I139 PolarHBondContact O-N 2.91Å; I139-V153 HydrophobicContact CB-CG1 4.29Å; I139-V153 HydrophobicContact CB-CG2 4.5Å; I139-V153 HydrophobicContact CG2-CG1 4.05Å; I139-V153 HydrophobicContact CG2-CG2 4.03Å; I139-Q196 HydrophobicContact CG2-CB 4.37Å; I139-Q196 HydrophobicContact CG2-CG 3.77Å; I139-F211 HydrophobicContact CD1-CD1 3.4Å; I139-F211 HydrophobicContact CD1-CE1 3.37Å; I139-F211 HydrophobicContact CD1-CG 4.32Å; I139-F211 HydrophobicContact CD1-CZ 4.26Å; I139-F211 HydrophobicContact CG1-CD1 3.63Å; I139-F211 HydrophobicContact CG1-CE1 3.77Å; I139-F211 HydrophobicContact CG1-CG 4.08Å; I139-F211 HydrophobicContact CG1-CZ 4.28Å; I139-F211 HydrophobicContact CG2-CE1 4.07Å; I139-F211 HydrophobicContact CG2-CE2 4.35Å; I139-F211 HydrophobicContact CG2-CZ 3.86Å
140V95.4Very high92.7Very high59 Ų5967.8 Ų67.836%0.35835%0.347SS..PPolyproline II helixtrans-86.2140.1171178.30000109.4T104 A138 E142T104-V140 HydrophobicContact CG2-CG2 4.23Å; A138-V140 PolarHBondContact O-N 3.24Å; V140-E142 HydrophobicContact CG1-CG 4.38Å; V140-E142 PolarHBondContact O-N 3.29Å
141Y95.4Very high92.5Very high23 Ų2369.3 Ų69.39%0.0936%0.358CS..PPolyproline II helixtrans-73.6118.8166.9-178.3-99.7000110.4T104 G143 C151 R152 N195T104-Y141 PolarHBondContact O-N 2.92Å; Y141-G143 WeakPolarHBondContact CE1-O 3.4Å; Y141-G143 VanDerWaalsContact CZ-CA 3.48Å; Y141-C151 VanDerWaalsContact CD1-C 3.48Å; Y141-C151 HydrophobicContact CD1-CB 4.08Å; Y141-C151 WeakPolarHBondContact CD1-O 3.46Å; Y141-C151 HydrophobicContact CE1-CB 3.71Å; Y141-R152 WeakPolarHBondContact CD2-O 3.5Å; Y141-R152 WeakPolarHBondContact CE2-O 3.13Å; Y141-N195 HydrophobicContact CE2-CB 4.44Å
142E92.6Very high92.4Very high83 Ų8370.1 Ų70.139%0.38836%0.36SS..  trans-115.89.6-176.9-59.4179.5-143.100112.4V140 K200 R209V140-E142 HydrophobicContact CG1-CG 4.38Å; V140-E142 PolarHBondContact O-N 3.29Å; E142-K200 WeakPolarHBondContact OE1-CE 2.94Å; E142-K200 IonicContact OE1-NZ 3.72Å; E142-K200 PolarHBondContact OE1-NZ 3.31Å; E142-K200 VanDerWaalsContact OE2-CD 3.24Å; E142-K200 WeakPolarHBondContact OE2-CD 3.4Å; E142-K200 WeakPolarHBondContact OE2-CE 3.36Å; E142-K200 IonicContact OE2-NZ 2.67Å; E142-K200 PolarHBondContact OE2-NZ 2.79Å; E142-R209 IonicContact OE1-NH1 2.74Å
143G88.3Confident92.5Very high28 Ų2869.5 Ų69.529%0.28936%0.357SS..  trans-75.7151.7-179.300000113.1Y141Y141-G143 WeakPolarHBondContact CE1-O 3.4Å; Y141-G143 VanDerWaalsContact CZ-CA 3.48Å
144Q87.2Confident92.6Very high206 Ų20669 Ų6996%0.96335%0.353SS*.  trans-105.398.6167-66.8-179.8-3.100108.2
145D89.1Confident92.7Very high74 Ų7461.7 Ų61.740%0.39632%0.317SS..  trans-108.7157.3169.4-152.5-55.6000109.8N147 M150D145-N147 PolarHBondContact OD1-N 3.25Å; D145-M150 HydrophobicContact CB-CB 4.09Å; D145-M150 WeakPolarHBondContact OD2-CB 3.44Å
146K91.3Very high92.9Very high211 Ų21157.5 Ų57.592%0.91729%0.292SS*.SBendtrans-88.7-23.9175.1-66.7-173.7178.4-175.50112.2
147N88Confident92.9Very high62 Ų6253.3 Ų53.333%0.33227%0.274SS..SBendtrans-90.6117173.2-178.50.1000109.5D145 E149 M150D145-N147 PolarHBondContact OD1-N 3.25Å; N147-E149 PolarHBondContact O-N 3.1Å; N147-E149 WeakPolarHBondContact OD1-CB 3.45Å; N147-E149 PolarHBondContact OD1-N 2.77Å; N147-M150 HydrophobicContact CB-CB 4.28Å; N147-M150 HydrophobicContact CB-CG 3.88Å; N147-M150 WeakPolarHBondContact O-CB 3.47Å; N147-M150 PolarHBondContact O-N 2.94Å
148P88.6Confident92.9Very high99 Ų9951 Ų5164%0.64326%0.263SS*.G310 helixtrans-59.4-27.3176.925.4-35000113.3M150 C151P148-M150 PolarHBondContact O-N 2.92Å; P148-C151 WeakPolarHBondContact O-CB 3.3Å; P148-C151 PolarHBondContact O-N 3.14Å; P148-C151 VanDerWaalsContact O-N 3.13Å
149E87.2Confident92.8Very high84 Ų8452.4 Ų52.439%0.39327%0.269SS..G310 helixtrans-70.5-18.7177.6-57.5-174.8134.500113.2N147 R152 L155 I159N147-E149 PolarHBondContact O-N 3.1Å; N147-E149 WeakPolarHBondContact OD1-CB 3.45Å; N147-E149 PolarHBondContact OD1-N 2.77Å; E149-R152 PolarHBondContact O-NH1 3.46Å; E149-L155 WeakPolarHBondContact O-CD2 3.35Å; E149-I159 HydrophobicContact CB-CD1 4.25Å; E149-I159 HydrophobicContact CB-CG1 4.14Å; E149-I159 HydrophobicContact CG-CD1 4.37Å
150M89.1Confident92.6Very high27 Ų2755.7 Ų55.713%0.13329%0.285CS..G310 helixtrans-85.9-11.6173.9-66.9-61.3-5700112.8D145 N147 P148 R152 L155 M160 N195D145-M150 HydrophobicContact CB-CB 4.09Å; D145-M150 WeakPolarHBondContact OD2-CB 3.44Å; N147-M150 HydrophobicContact CB-CB 4.28Å; N147-M150 HydrophobicContact CB-CG 3.88Å; N147-M150 WeakPolarHBondContact O-CB 3.47Å; N147-M150 PolarHBondContact O-N 2.94Å; P148-M150 PolarHBondContact O-N 2.92Å; M150-R152 PolarHBondContact O-N 2.98Å; M150-L155 HydrophobicContact CE-CD1 3.44Å; M150-L155 VanDerWaalsContact CE-CD1 3.44Å; M150-L155 HydrophobicContact SD-CD1 3.94Å; M150-M160 HydrophobicContact CE-CE 3.58Å; M150-M160 HydrophobicContact CE-CG 4.49Å; M150-M160 HydrophobicContact CE-SD 4.16Å; M150-M160 HydrophobicContact SD-CE 4.01Å; M150-M160 HydrophobicContact SD-CG 4.01Å; M150-M160 HydrophobicContact SD-SD 4.44Å; M150-N195 PolarHBondContact O-ND2 3.45Å
151C94.3Very high92.6Very high32 Ų3253.7 Ų53.722%0.21627%0.273CS..  trans-79.748.3-172-680000114.2N105 Y141 P148N105-C151 VanDerWaalsContact CB-O 3.28Å; N105-C151 WeakPolarHBondContact CB-O 3.32Å; Y141-C151 VanDerWaalsContact CD1-C 3.48Å; Y141-C151 HydrophobicContact CD1-CB 4.08Å; Y141-C151 WeakPolarHBondContact CD1-O 3.46Å; Y141-C151 HydrophobicContact CE1-CB 3.71Å; P148-C151 WeakPolarHBondContact O-CB 3.3Å; P148-C151 PolarHBondContact O-N 3.14Å; P148-C151 VanDerWaalsContact O-N 3.13Å
152R95.6Very high92.5Very high23 Ų2356.9 Ų56.99%0.08730%0.299CS..SBendtrans-132.4151.8-173.9-58.2177175.4121.9-6.7111.3E94 N105 Y141 E149 M150 L154 L155 N195E94-R152 IonicContact OE1-NH2 3.27Å; E94-R152 PolarHBondContact OE1-NH2 2.88Å; E94-R152 IonicContact OE2-CZ 3.18Å; E94-R152 IonicContact OE2-NE 3.36Å; E94-R152 PolarHBondContact OE2-NE 2.67Å; E94-R152 IonicContact OE2-NH2 2.73Å; E94-R152 PolarHBondContact OE2-NH2 2.88Å; N105-R152 CarbonylContact O-C 3.57Å; N105-R152 VanDerWaalsContact O-CA 3.26Å; N105-R152 WeakPolarHBondContact O-CA 3.43Å; Y141-R152 WeakPolarHBondContact CD2-O 3.5Å; Y141-R152 WeakPolarHBondContact CE2-O 3.13Å; E149-R152 PolarHBondContact O-NH1 3.46Å; M150-R152 PolarHBondContact O-N 2.98Å; R152-L154 WeakPolarHBondContact CB-O 3.41Å; R152-L155 HydrophobicContact CB-CD2 3.91Å; R152-L155 HydrophobicContact CG-CD2 4.35Å; R152-N195 WeakPolarHBondContact O-CB 3.22Å
153V97.3Very high92.6Very high0 Ų060.1 Ų60.10%031%0.307CS..SBendtrans-69.7-41.5174.2174.80000111.4N105 N106 L130 I139 C194 N195 Q196N105-V153 PolarHBondContact O-N 2.7Å; N106-V153 HydrophobicContact CB-CB 3.71Å; N106-V153 HydrophobicContact CB-CG1 4.4Å; N106-V153 HydrophobicContact CB-CG2 3.64Å; L130-V153 HydrophobicContact CB-CG1 4.16Å; L130-V153 HydrophobicContact CD1-CG1 3.78Å; L130-V153 HydrophobicContact CG-CG1 4.13Å; I139-V153 HydrophobicContact CB-CG1 4.29Å; I139-V153 HydrophobicContact CB-CG2 4.5Å; I139-V153 HydrophobicContact CG2-CG1 4.05Å; I139-V153 HydrophobicContact CG2-CG2 4.03Å; V153-C194 CarbonylContact O-C 3.07Å; V153-C194 WeakPolarHBondContact O-CA 3.41Å; V153-N195 PolarHBondContact O-N 2.95Å; V153-Q196 HydrophobicContact CB-CB 4.46Å; V153-Q196 HydrophobicContact CG1-CB 4.08Å; V153-Q196 HydrophobicContact CG2-CB 4.21Å
154L97.8Very high92.9Very high1 Ų159.5 Ų59.51%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-115.1140.7178.2-69.2174.2000110.6F68 I108 V128 L130 R152 L192F68-L154 HydrophobicContact CE1-CD2 4.15Å; F68-L154 HydrophobicContact CZ-CD2 3.99Å; I108-L154 HydrophobicContact CD1-CB 3.89Å; I108-L154 HydrophobicContact CG1-CB 4.24Å; V128-L154 HydrophobicContact CG1-CD1 4.39Å; V128-L154 WeakPolarHBondContact O-CD1 3.48Å; L130-L154 HydrophobicContact CD1-CD2 3.98Å; L130-L154 HydrophobicContact CD1-CG 4.49Å; L130-L154 HydrophobicContact CD2-CD1 4.46Å; L130-L154 HydrophobicContact CD2-CD2 4.19Å; L130-L154 HydrophobicContact CG-CD1 4.17Å; L130-L154 HydrophobicContact CG-CD2 3.89Å; L130-L154 HydrophobicContact CG-CG 4.07Å; R152-L154 WeakPolarHBondContact CB-O 3.41Å; L154-L192 HydrophobicContact CD1-CD1 4.27Å; L154-L192 HydrophobicContact CD2-CD1 4.2Å
155L96.9Very high93.1Very high0 Ų053.1 Ų53.10%028%0.276CS..EExtended strand (participates in β ladder)trans-134.4146.3177.4-64.9173.3000110.3E149 M150 R152 I159 M160 K193 N195E149-L155 WeakPolarHBondContact O-CD2 3.35Å; M150-L155 HydrophobicContact CE-CD1 3.44Å; M150-L155 VanDerWaalsContact CE-CD1 3.44Å; M150-L155 HydrophobicContact SD-CD1 3.94Å; R152-L155 HydrophobicContact CB-CD2 3.91Å; R152-L155 HydrophobicContact CG-CD2 4.35Å; L155-I159 HydrophobicContact CD2-CG2 4.17Å; L155-M160 HydrophobicContact CB-CG 4.37Å; L155-M160 HydrophobicContact CB-SD 4.26Å; L155-M160 HydrophobicContact CD1-CG 4.16Å; L155-M160 HydrophobicContact CD1-SD 3.82Å; L155-K193 PolarHBondContact N-O 3.42Å; L155-K193 PolarHBondContact O-N 3.49Å; L155-N195 HydrophobicContact CD1-CB 3.85Å; L155-N195 HydrophobicContact CG-CB 4.41Å
156T97.1Very high93.3Very high1 Ų154 Ų541%0.00628%0.28CS..  trans-90.9172.4166.3600000110.6F89 F92 I108 S178F89-T156 HydrophobicContact CD2-CG2 3.79Å; F89-T156 HydrophobicContact CE2-CG2 3.71Å; F92-T156 HydrophobicContact CZ-CG2 4.36Å; I108-T156 HydrophobicContact CD1-CG2 3.91Å; T156-S178 VanDerWaalsContact CB-OG 3.3Å; T156-S178 WeakPolarHBondContact CB-OG 3.26Å; T156-S178 PolarHBondContact OG1-OG 3.46Å
157H95.2Very high93.4Very high17 Ų1753.2 Ų53.28%0.07928%0.277CS..SBendtrans-67.6-39.7174.9175.968.9000112.6F67 I159 M160 C161 C170 N172 T176F67-H157 HydrophobicContact CE1-CB 4.02Å; F67-H157 HydrophobicContact CZ-CB 3.93Å; F67-H157 AromaticContact CZ-ND1 3.97Å; H157-I159 PolarHBondContact O-N 3.06Å; H157-M160 WeakPolarHBondContact O-CB 3.43Å; H157-M160 PolarHBondContact O-N 3.36Å; H157-M160 VanDerWaalsContact O-N 3.08Å; H157-C161 WeakPolarHBondContact NE2-CB 3.16Å; H157-C161 WeakPolarHBondContact O-CB 3.26Å; H157-C161 PolarHBondContact O-N 3.32Å; H157-C170 PolarHBondContact NE2-SG 3.3Å; H157-C170 VanDerWaalsContact NE2-SG 3.39Å; H157-N172 WeakPolarHBondContact CE1-CB 3.28Å; H157-T176 WeakPolarHBondContact CB-O 3.43Å
158E94.3Very high93.8Very high33 Ų3356.1 Ų56.115%0.15429%0.287CS..G310 helixtrans-71.3-39.8-164-63.2173.8-151.100112.2M160 C161 C164 C165 R173 S178E158-M160 PolarHBondContact O-N 2.86Å; E158-C161 PolarHBondContact O-N 2.74Å; E158-C161 VanDerWaalsContact O-N 3.13Å; E158-C164 HydrophobicContact CB-CB 3.75Å; E158-C164 HydrophobicContact CG-CB 3.95Å; E158-C165 PolarHBondContact O-SG 2.88Å; E158-R173 VanDerWaalsContact CD-CZ 3.45Å; E158-R173 VanDerWaalsContact CD-NH2 3.28Å; E158-R173 HydrophobicContact CG-CG 4.13Å; E158-R173 IonicContact OE1-CZ 3.77Å; E158-R173 IonicContact OE1-NE 3.71Å; E158-R173 PolarHBondContact OE1-NE 2.81Å; E158-R173 IonicContact OE1-NH2 3.15Å; E158-R173 PolarHBondContact OE1-NH2 2.87Å; E158-R173 IonicContact OE2-CZ 3.59Å; E158-R173 IonicContact OE2-NE 2.77Å; E158-R173 PolarHBondContact OE2-NE 3.31Å; E158-R173 IonicContact OE2-NH2 3.77Å; E158-R173 PolarHBondContact OE2-NH2 3.02Å; E158-S178 WeakPolarHBondContact CB-OG 3.48Å; E158-S178 VanDerWaalsContact CG-OG 3.27Å; E158-S178 WeakPolarHBondContact CG-OG 3.49Å; E158-S178 WeakPolarHBondContact OE1-CB 3.21Å; E158-S178 PolarHBondContact OE1-N 3.05Å; E158-S178 PolarHBondContact OE1-OG 2.85Å
159I93.3Very high94Very high38 Ų3856.7 Ų56.720%0.19529%0.293CS..G310 helixtrans-64.7-22.6173.2-164.660.8000112.9F92 E149 L155 H157F92-I159 HydrophobicContact CE2-CB 4.24Å; F92-I159 HydrophobicContact CE2-CG1 4.2Å; F92-I159 HydrophobicContact CE2-CG2 4.18Å; F92-I159 HydrophobicContact CZ-CB 4.31Å; F92-I159 HydrophobicContact CZ-CG2 3.79Å; E149-I159 HydrophobicContact CB-CD1 4.25Å; E149-I159 HydrophobicContact CB-CG1 4.14Å; E149-I159 HydrophobicContact CG-CD1 4.37Å; L155-I159 HydrophobicContact CD2-CG2 4.17Å; H157-I159 PolarHBondContact O-N 3.06Å
160M91.6Very high94.4Very high68 Ų6853.2 Ų53.234%0.33528%0.278SS..G310 helixtrans-89.5-9177.1-69.4-160.563.300113.5M150 L155 H157 E158 K193M150-M160 HydrophobicContact CE-CE 3.58Å; M150-M160 HydrophobicContact CE-CG 4.49Å; M150-M160 HydrophobicContact CE-SD 4.16Å; M150-M160 HydrophobicContact SD-CE 4.01Å; M150-M160 HydrophobicContact SD-CG 4.01Å; M150-M160 HydrophobicContact SD-SD 4.44Å; L155-M160 HydrophobicContact CB-CG 4.37Å; L155-M160 HydrophobicContact CB-SD 4.26Å; L155-M160 HydrophobicContact CD1-CG 4.16Å; L155-M160 HydrophobicContact CD1-SD 3.82Å; H157-M160 WeakPolarHBondContact O-CB 3.43Å; H157-M160 PolarHBondContact O-N 3.36Å; H157-M160 VanDerWaalsContact O-N 3.08Å; E158-M160 PolarHBondContact O-N 2.86Å; M160-K193 HydrophobicContact SD-CD 3.78Å
161C93.9Very high94.7Very high18 Ų1854.4 Ų54.412%0.12230%0.297CS..  trans-118.3110-167.7-173.30000111.3H157 E158 R163 C164 C165H157-C161 WeakPolarHBondContact NE2-CB 3.16Å; H157-C161 WeakPolarHBondContact O-CB 3.26Å; H157-C161 PolarHBondContact O-N 3.32Å; E158-C161 PolarHBondContact O-N 2.74Å; E158-C161 VanDerWaalsContact O-N 3.13Å; C161-R163 PolarHBondContact O-N 2.91Å; C161-R163 VanDerWaalsContact O-N 3.1Å; C161-C164 HydrophobicContact CB-CB 4.02Å; C161-C164 WeakPolarHBondContact O-CA 3.46Å; C161-C164 WeakPolarHBondContact O-CB 3.43Å; C161-C164 PolarHBondContact O-N 2.93Å; C161-C165 PolarHBondContact O-N 2.79Å; C161-C165 PolarHBondContact O-SG 2.87Å
162S93.2Very high94.6Very high89 Ų8956.8 Ų56.862%0.62231%0.308SS*.Hα-helixtrans-52.1-35.9177.453.10000113.6C164 C165 D166S162-C164 VanDerWaalsContact C-N 3.34Å; S162-C164 PolarHBondContact O-N 2.86Å; S162-C165 PolarHBondContact O-N 2.83Å; S162-D166 VanDerWaalsContact O-CB 3.28Å; S162-D166 WeakPolarHBondContact O-CB 3.5Å; S162-D166 PolarHBondContact O-N 3.38Å
163R95.3Very high94.6Very high151 Ų15160.4 Ų60.457%0.5732%0.322SS*.Hα-helixtrans-62.8-38.6174-66.2-179.5177.7-112.1-0.4112.6C161 K167 K168 C170C161-R163 PolarHBondContact O-N 2.91Å; C161-R163 VanDerWaalsContact O-N 3.1Å; R163-K167 PolarHBondContact O-N 3.41Å; R163-K168 HydrophobicContact CB-CB 4.48Å; R163-K168 WeakPolarHBondContact O-CA 3.49Å; R163-K168 WeakPolarHBondContact O-CB 3.38Å; R163-K168 PolarHBondContact O-N 2.72Å; R163-C170 HydrophobicContact CB-CB 4.15Å
164C94Very high94.4Very high15 Ų1567.1 Ų67.110%0.10136%0.358CS..Hα-helixtrans-74.6-40.2178.7-59.90000111.3E158 C161 S162 D166 K167E158-C164 HydrophobicContact CB-CB 3.75Å; E158-C164 HydrophobicContact CG-CB 3.95Å; C161-C164 HydrophobicContact CB-CB 4.02Å; C161-C164 WeakPolarHBondContact O-CA 3.46Å; C161-C164 WeakPolarHBondContact O-CB 3.43Å; C161-C164 PolarHBondContact O-N 2.93Å; S162-C164 VanDerWaalsContact C-N 3.34Å; S162-C164 PolarHBondContact O-N 2.86Å; C164-D166 VanDerWaalsContact C-N 3.3Å; C164-D166 PolarHBondContact O-N 3.02Å; C164-K167 WeakPolarHBondContact O-CA 3.46Å; C164-K167 PolarHBondContact O-N 2.8Å
165C91.8Very high94.2Very high72 Ų7273 Ų7349%0.48639%0.385SS..Hα-helixtrans-59.1-41.9171.9-570000111.7E158 C161 S162 K167E158-C165 PolarHBondContact O-SG 2.88Å; C161-C165 PolarHBondContact O-N 2.79Å; C161-C165 PolarHBondContact O-SG 2.87Å; S162-C165 PolarHBondContact O-N 2.83Å; C165-K167 PolarHBondContact O-N 2.86Å; C165-K167 VanDerWaalsContact O-N 3.15Å
166D94.1Very high94.1Very high92 Ų9273.9 Ų73.949%0.49239%0.39SS..THydrogen-bonded Turntrans-68.6-1.9172.5-73.6-8.4000114.1S162 C164 K168S162-D166 VanDerWaalsContact O-CB 3.28Å; S162-D166 WeakPolarHBondContact O-CB 3.5Å; S162-D166 PolarHBondContact O-N 3.38Å; C164-D166 VanDerWaalsContact C-N 3.3Å; C164-D166 PolarHBondContact O-N 3.02Å; D166-K168 HydrophobicContact CB-CB 4.44Å; D166-K168 HydrophobicContact CB-CD 3.59Å; D166-K168 HydrophobicContact CB-CG 3.85Å; D166-K168 PolarHBondContact O-N 3.37Å; D166-K168 WeakPolarHBondContact OD2-CE 3.41Å; D166-K168 IonicContact OD2-NZ 2.73Å; D166-K168 PolarHBondContact OD2-NZ 3.21Å
167K93.9Very high94.1Very high195 Ų19574.8 Ų74.885%0.84840%0.396SS*.THydrogen-bonded Turntrans56.225.1-172.5-56.7-178.3-179.9179.60114.4R163 C164 C165R163-K167 PolarHBondContact O-N 3.41Å; C164-K167 WeakPolarHBondContact O-CA 3.46Å; C164-K167 PolarHBondContact O-N 2.8Å; C165-K167 PolarHBondContact O-N 2.86Å; C165-K167 VanDerWaalsContact O-N 3.15Å
168K94.9Very high94.2Very high123 Ų12374.1 Ų74.154%0.53539%0.393SS..  trans-86.6159.6176.1-65.4165.2-173.1160.10110.7R163 D166R163-K168 HydrophobicContact CB-CB 4.48Å; R163-K168 WeakPolarHBondContact O-CA 3.49Å; R163-K168 WeakPolarHBondContact O-CB 3.38Å; R163-K168 PolarHBondContact O-N 2.72Å; D166-K168 HydrophobicContact CB-CB 4.44Å; D166-K168 HydrophobicContact CB-CD 3.59Å; D166-K168 HydrophobicContact CB-CG 3.85Å; D166-K168 PolarHBondContact O-N 3.37Å; D166-K168 WeakPolarHBondContact OD2-CE 3.41Å; D166-K168 IonicContact OD2-NZ 2.73Å; D166-K168 PolarHBondContact OD2-NZ 3.21Å
169S93.6Very high94.3Very high111 Ų11175 Ų7578%0.77640%0.399SS*.  trans-63.3136174.251.80000111.8
170C95.6Very high94.5Very high11 Ų1173.3 Ų73.37%0.07439%0.39CS..  trans-139.3121.7-179-178.30000110.1H157 R163 N172 R173H157-C170 PolarHBondContact NE2-SG 3.3Å; H157-C170 VanDerWaalsContact NE2-SG 3.39Å; R163-C170 HydrophobicContact CB-CB 4.15Å; C170-N172 VanDerWaalsContact C-N 3.31Å; C170-N172 PolarHBondContact O-N 3.13Å; C170-R173 HydrophobicContact CB-CB 4.12Å; C170-R173 WeakPolarHBondContact O-CB 3.39Å; C170-R173 PolarHBondContact O-N 3.31Å; C170-R173 VanDerWaalsContact O-N 3.1Å
171G94.4Very high94.8Very high52 Ų5272.9 Ų72.954%0.53639%0.392SS..Hα-helixtrans-60.6-38.7179.600000113R173 N174 E175G171-R173 PolarHBondContact O-N 3.26Å; G171-N174 VanDerWaalsContact O-CB 3.32Å; G171-N174 WeakPolarHBondContact O-CB 3.38Å; G171-N174 PolarHBondContact O-N 3.19Å; G171-E175 PolarHBondContact O-N 2.95Å
172N93.7Very high95Very high83 Ų8374.7 Ų74.744%0.44440%0.4SS..Hα-helixtrans-70.2-16.8178.2-59.8108.8000113.4H157 C170 N174 E175 T176H157-N172 WeakPolarHBondContact CE1-CB 3.28Å; C170-N172 VanDerWaalsContact C-N 3.31Å; C170-N172 PolarHBondContact O-N 3.13Å; N172-N174 VanDerWaalsContact C-N 3.27Å; N172-E175 PolarHBondContact ND2-OE2 2.72Å; N172-E175 PolarHBondContact O-N 3.13Å; N172-T176 PolarHBondContact O-N 3.36Å; N172-T176 PolarHBondContact O-OG1 3.27Å
173R94.4Very high95.2Very high99 Ų9973.2 Ų73.237%0.37438%0.384SS..Hα-helixtrans-67.9-29.8168.4-166.6-176.6-174.6-176.68.8111.5E158 C170 G171 T176 P177E158-R173 VanDerWaalsContact CD-CZ 3.45Å; E158-R173 VanDerWaalsContact CD-NH2 3.28Å; E158-R173 HydrophobicContact CG-CG 4.13Å; E158-R173 IonicContact OE1-CZ 3.77Å; E158-R173 IonicContact OE1-NE 3.71Å; E158-R173 PolarHBondContact OE1-NE 2.81Å; E158-R173 IonicContact OE1-NH2 3.15Å; E158-R173 PolarHBondContact OE1-NH2 2.87Å; E158-R173 IonicContact OE2-CZ 3.59Å; E158-R173 IonicContact OE2-NE 2.77Å; E158-R173 PolarHBondContact OE2-NE 3.31Å; E158-R173 IonicContact OE2-NH2 3.77Å; E158-R173 PolarHBondContact OE2-NH2 3.02Å; C170-R173 HydrophobicContact CB-CB 4.12Å; C170-R173 WeakPolarHBondContact O-CB 3.39Å; C170-R173 PolarHBondContact O-N 3.31Å; C170-R173 VanDerWaalsContact O-N 3.1Å; G171-R173 PolarHBondContact O-N 3.26Å; R173-T176 CarbonylContact O-C 3.48Å; R173-P177 VanDerWaalsContact O-CA 3.25Å; R173-P177 WeakPolarHBondContact O-CA 3.34Å; R173-P177 WeakPolarHBondContact O-CB 3.39Å; R173-P177 WeakPolarHBondContact O-CD 3.33Å
174N92.5Very high95.2Very high141 Ų14172 Ų7275%0.75439%0.389SS*.Hα-helixtrans-75.7-31.3177.4-54.9-7.7000111.7G171 N172G171-N174 VanDerWaalsContact O-CB 3.32Å; G171-N174 WeakPolarHBondContact O-CB 3.38Å; G171-N174 PolarHBondContact O-N 3.19Å; N172-N174 VanDerWaalsContact C-N 3.27Å
175E93.6Very high95.2Very high125 Ų12578.7 Ų78.758%0.58441%0.412SS*.Hα-helixtrans-81.4-36.5176.4-61.3179.9144.900112.9G171 N172 F191G171-E175 PolarHBondContact O-N 2.95Å; N172-E175 PolarHBondContact ND2-OE2 2.72Å; N172-E175 PolarHBondContact O-N 3.13Å; E175-F191 WeakPolarHBondContact O-CE1 3.15Å
176T95.9Very high95.4Very high18 Ų1878.4 Ų78.411%0.1140%0.403CS..SBendtrans-139.873.4-175.752.70000110.3F67 H157 N172 R173 F191F67-T176 HydrophobicContact CB-CG2 4.15Å; F67-T176 HydrophobicContact CD1-CG2 4.33Å; F67-T176 HydrophobicContact CD2-CG2 4.37Å; F67-T176 HydrophobicContact CG-CG2 4.02Å; H157-T176 WeakPolarHBondContact CB-O 3.43Å; N172-T176 PolarHBondContact O-N 3.36Å; N172-T176 PolarHBondContact O-OG1 3.27Å; R173-T176 CarbonylContact O-C 3.48Å; T176-F191 HydrophobicContact CG2-CB 4.32Å; T176-F191 HydrophobicContact CG2-CD1 3.89Å; T176-F191 HydrophobicContact CG2-CG 4.42Å
177P96.4Very high95.6Very high19 Ų1977.1 Ų77.112%0.12339%0.393CS..  trans-66.6156.7175.326.8-34.2000111.6R173 V181 F191R173-P177 VanDerWaalsContact O-CA 3.25Å; R173-P177 WeakPolarHBondContact O-CA 3.34Å; R173-P177 WeakPolarHBondContact O-CB 3.39Å; R173-P177 WeakPolarHBondContact O-CD 3.33Å; P177-V181 HydrophobicContact CG-CG2 3.62Å; P177-F191 HydrophobicContact CG-CD2 4.05Å; P177-F191 HydrophobicContact CG-CE2 4.21Å
178S96.8Very high95.8Very high3 Ų367.8 Ų67.82%0.02135%0.352CS..SBendtrans-66.4-41.9166.2-70.10000111.4Y110 T156 E158Y110-S178 WeakPolarHBondContact CE1-O 3.42Å; T156-S178 VanDerWaalsContact CB-OG 3.3Å; T156-S178 WeakPolarHBondContact CB-OG 3.26Å; T156-S178 PolarHBondContact OG1-OG 3.46Å; E158-S178 WeakPolarHBondContact CB-OG 3.48Å; E158-S178 VanDerWaalsContact CG-OG 3.27Å; E158-S178 WeakPolarHBondContact CG-OG 3.49Å; E158-S178 WeakPolarHBondContact OE1-CB 3.21Å; E158-S178 PolarHBondContact OE1-N 3.05Å; E158-S178 PolarHBondContact OE1-OG 2.85Å
179D97.3Very high96Very high52 Ų5264.7 Ų64.728%0.27834%0.339SS..SBendtrans-71132.7-178.4-55.2-55.8000111.3T88 F89 V181T88-D179 WeakPolarHBondContact CA-OD1 3.48Å; F89-D179 PolarHBondContact N-OD1 2.9Å; D179-V181 PolarHBondContact O-N 2.8Å
180P97.6Very high96.2Very high2 Ų259.4 Ų59.41%0.01330%0.302CS..PPolyproline II helixtrans-61131.6176.7-23.232.8000111.5T87 Y110 L188 F190T87-P180 VanDerWaalsContact CB-O 3.28Å; T87-P180 WeakPolarHBondContact CB-O 3.14Å; T87-P180 HydrophobicContact CG2-CB 4.04Å; T87-P180 WeakPolarHBondContact CG2-O 3.45Å; T87-P180 PolarHBondContact OG1-O 3Å; Y110-P180 VanDerWaalsContact CD1-CD 3.5Å; Y110-P180 HydrophobicContact CD1-CG 3.53Å; Y110-P180 VanDerWaalsContact CE1-CD 3.5Å; Y110-P180 HydrophobicContact CE1-CG 3.6Å; Y110-P180 HydrophobicContact CG-CG 4.03Å; P180-L188 HydrophobicContact CB-CD2 4.31Å; P180-F190 HydrophobicContact CB-CD1 4Å; P180-F190 HydrophobicContact CB-CE1 3.86Å; P180-F190 HydrophobicContact CB-CG 4.42Å; P180-F190 HydrophobicContact CB-CZ 4.15Å; P180-F190 HydrophobicContact CG-CD1 3.66Å; P180-F190 HydrophobicContact CG-CE1 3.42Å; P180-F190 VanDerWaalsContact CG-CE1 3.42Å; P180-F190 HydrophobicContact CG-CZ 4.12Å
181V97.9Very high96.3Very high59 Ų5959.8 Ų59.836%0.35830%0.302SS..EExtended strand (participates in β ladder)trans-83.9121-179.9176.40000110.2P177 D179 I183 K189 F191P177-V181 HydrophobicContact CG-CG2 3.62Å; D179-V181 PolarHBondContact O-N 2.8Å; V181-I183 HydrophobicContact CG1-CG1 4.3Å; V181-K189 HydrophobicContact CB-CB 4.43Å; V181-K189 PolarHBondContact N-O 2.93Å; V181-K189 PolarHBondContact O-N 2.87Å; V181-F191 HydrophobicContact CB-CE2 4.27Å; V181-F191 HydrophobicContact CG2-CD2 4.48Å; V181-F191 HydrophobicContact CG2-CE2 3.78Å
182I97.8Very high96.5Very high57 Ų5757.3 Ų57.329%0.29228%0.277SS..EExtended strand (participates in β ladder)trans-73.7129.7173.5-55.9163.6000108.7I84 T87 F187 L188I84-I182 HydrophobicContact CG2-CD1 4.23Å; I84-I182 HydrophobicContact CG2-CG1 4.25Å; T87-I182 HydrophobicContact CG2-CD1 4.1Å; T87-I182 HydrophobicContact CG2-CG1 3.77Å; I182-F187 CarbonylContact C-O 3.48Å; I182-F187 WeakPolarHBondContact CA-O 3.38Å; I182-L188 HydrophobicContact CG1-CD2 3.84Å
183I96.8Very high96.7Very high58 Ų5854.7 Ų54.730%0.29726%0.261SS..EExtended strand (participates in β ladder)trans-125.7131.1176.4-58.6174.3000107.3V181 R185 F186 F187 K189V181-I183 HydrophobicContact CG1-CG1 4.3Å; I183-R185 PolarHBondContact O-N 3.5Å; I183-F186 PolarHBondContact O-N 2.78Å; I183-F187 HydrophobicContact CB-CB 4.19Å; I183-F187 PolarHBondContact N-O 3.16Å; I183-F187 WeakPolarHBondContact O-CB 3.41Å; I183-F187 WeakPolarHBondContact O-CD2 3.24Å; I183-F187 PolarHBondContact O-N 2.85Å; I183-K189 HydrophobicContact CD1-CB 3.84Å; I183-K189 HydrophobicContact CD1-CD 3.89Å
184D95.4Very high96.8Very high125 Ų12550 Ų5067%0.66824%0.243SC*.THydrogen-bonded Turntrans46.133.6178.9-50.2-33.9000114.5F186 F187D184-F186 VanDerWaalsContact O-CD2 3.29Å; D184-F186 WeakPolarHBondContact O-CD2 3.45Å; D184-F186 PolarHBondContact O-N 3.45Å; D184-F187 HydrophobicContact CB-CD2 4.09Å; D184-F187 HydrophobicContact CB-CE2 4.24Å
185R95.1Very high97Very high155 Ų15543.7 Ų43.759%0.58521%0.21SC*.THydrogen-bonded Turntrans62-29.9-175.3-49.1-168.5-171.81781.8117.6E83 I84 I183E83-R185 HydrophobicContact CG-CB 4.32Å; E83-R185 IonicContact OE1-NH1 3.74Å; E83-R185 WeakPolarHBondContact OE2-CD 3.07Å; E83-R185 IonicContact OE2-CZ 3.69Å; E83-R185 IonicContact OE2-NE 2.72Å; E83-R185 IonicContact OE2-NH1 2.79Å; E83-R185 PolarHBondContact OE2-NH1 3.29Å; I84-R185 WeakPolarHBondContact CB-O 3.4Å; I84-R185 PolarHBondContact N-O 3.25Å; I183-R185 PolarHBondContact O-N 3.5Å
186F96.6Very high97.1Very high66 Ų6638.3 Ų38.329%0.28919%0.185SC..THydrogen-bonded Turntrans-97.5-13.4-173.5-65.4-76.5000114.2P81 V82 E83 I183 D184P81-F186 HydrophobicContact CB-CD1 3.74Å; P81-F186 HydrophobicContact CB-CE1 3.95Å; P81-F186 HydrophobicContact CG-CD1 4.38Å; P81-F186 HydrophobicContact CG-CE1 4.12Å; V82-F186 WeakPolarHBondContact O-CD1 3.25Å; E83-F186 HydrophobicContact CB-CE1 4.26Å; E83-F186 HydrophobicContact CG-CD1 4.03Å; E83-F186 HydrophobicContact CG-CE1 3.32Å; E83-F186 HydrophobicContact CG-CE2 4.14Å; E83-F186 HydrophobicContact CG-CZ 3.37Å; I183-F186 PolarHBondContact O-N 2.78Å; D184-F186 VanDerWaalsContact O-CD2 3.29Å; D184-F186 WeakPolarHBondContact O-CD2 3.45Å; D184-F186 PolarHBondContact O-N 3.45Å
187F98Very high97.1Very high65 Ų6539.4 Ų39.429%0.28519%0.19SC..EExtended strand (participates in β ladder)trans-113.6139.4-173-51.2-65.2000112.8E55 V71 L72 A73 I182 I183 D184E55-F187 HydrophobicContact CG-CD1 3.82Å; E55-F187 HydrophobicContact CG-CE1 3.8Å; V71-F187 HydrophobicContact CG1-CB 3.84Å; L72-F187 CarbonylContact O-C 3.59Å; L72-F187 VanDerWaalsContact O-CA 3.26Å; L72-F187 WeakPolarHBondContact O-CA 3.39Å; A73-F187 HydrophobicContact CB-CD1 3.94Å; A73-F187 HydrophobicContact CB-CE1 4.02Å; I182-F187 CarbonylContact C-O 3.48Å; I182-F187 WeakPolarHBondContact CA-O 3.38Å; I183-F187 HydrophobicContact CB-CB 4.19Å; I183-F187 PolarHBondContact N-O 3.16Å; I183-F187 WeakPolarHBondContact O-CB 3.41Å; I183-F187 WeakPolarHBondContact O-CD2 3.24Å; I183-F187 PolarHBondContact O-N 2.85Å; D184-F187 HydrophobicContact CB-CD2 4.09Å; D184-F187 HydrophobicContact CB-CE2 4.24Å
188L97.8Very high97Very high0 Ų038.6 Ų38.60%019%0.185CC..EExtended strand (participates in β ladder)trans-114.4122.6173.9-69.9-177000112.1V71 L72 L74 I84 T87 L112 P180 I182 F190V71-L188 CarbonylContact C-O 3.47Å; V71-L188 VanDerWaalsContact CA-O 3.26Å; V71-L188 WeakPolarHBondContact CA-O 3.07Å; L72-L188 PolarHBondContact N-O 2.83Å; L72-L188 PolarHBondContact O-N 3.22Å; L74-L188 HydrophobicContact CD1-CD1 4.24Å; I84-L188 HydrophobicContact CD1-CD1 3.9Å; I84-L188 HydrophobicContact CD1-CD2 3.88Å; I84-L188 HydrophobicContact CD1-CG 3.51Å; I84-L188 HydrophobicContact CG2-CD2 4.09Å; T87-L188 HydrophobicContact CG2-CD1 4.43Å; T87-L188 HydrophobicContact CG2-CD2 3.4Å; T87-L188 VanDerWaalsContact CG2-CD2 3.4Å; L112-L188 HydrophobicContact CD1-CD1 3.73Å; L112-L188 HydrophobicContact CD2-CD1 3.71Å; L112-L188 HydrophobicContact CG-CD1 4.41Å; P180-L188 HydrophobicContact CB-CD2 4.31Å; I182-L188 HydrophobicContact CG1-CD2 3.84Å; L188-F190 HydrophobicContact CB-CD2 4.25Å; L188-F190 HydrophobicContact CB-CE2 3.49Å; L188-F190 VanDerWaalsContact CB-CE2 3.49Å; L188-F190 HydrophobicContact CB-CZ 4.03Å; L188-F190 HydrophobicContact CD1-CE2 4.2Å; L188-F190 HydrophobicContact CD1-CZ 3.91Å
189K98.3Very high96.8Very high58 Ų5840.4 Ų40.425%0.25219%0.194SC..EExtended strand (participates in β ladder)trans-102.6115.2173.8-174.5179.7177.3-167.50111F70 V71 V181 I183 F191F70-K189 WeakPolarHBondContact O-CA 3.3Å; V71-K189 HydrophobicContact CG2-CB 4.08Å; V71-K189 HydrophobicContact CG2-CG 4.04Å; V181-K189 HydrophobicContact CB-CB 4.43Å; V181-K189 PolarHBondContact N-O 2.93Å; V181-K189 PolarHBondContact O-N 2.87Å; I183-K189 HydrophobicContact CD1-CB 3.84Å; I183-K189 HydrophobicContact CD1-CD 3.89Å; K189-F191 HydrophobicContact CD-CE1 4.37Å; K189-F191 HydrophobicContact CD-CE2 3.99Å; K189-F191 HydrophobicContact CD-CZ 3.66Å; K189-F191 HydrophobicContact CG-CE2 3.94Å; K189-F191 HydrophobicContact CG-CZ 4.03Å
190F98.4Very high96.4Very high0 Ų044.2 Ų44.20%021%0.208CC..EExtended strand (participates in β ladder)trans-96143179.9-63.8-100.4000110.7H69 F70 L72 Y110 L126 V128 P180 L188H69-F190 WeakPolarHBondContact CA-O 3.12Å; H69-F190 WeakPolarHBondContact CB-O 3.32Å; F70-F190 HydrophobicContact CD1-CB 4.39Å; F70-F190 HydrophobicContact CD2-CB 4.41Å; F70-F190 AromaticContact CD2-CD2 3.9Å; F70-F190 HydrophobicContact CD2-CD2 3.9Å; F70-F190 HydrophobicContact CD2-CG 4.45Å; F70-F190 HydrophobicContact CE1-CB 3.86Å; F70-F190 HydrophobicContact CE1-CG 4.4Å; F70-F190 HydrophobicContact CE2-CB 3.9Å; F70-F190 AromaticContact CE2-CD2 3.28Å; F70-F190 HydrophobicContact CE2-CD2 3.28Å; F70-F190 AromaticContact CE2-CE2 3.92Å; F70-F190 HydrophobicContact CE2-CE2 3.92Å; F70-F190 AromaticContact CE2-CG 3.66Å; F70-F190 HydrophobicContact CE2-CG 3.66Å; F70-F190 HydrophobicContact CZ-CB 3.59Å; F70-F190 HydrophobicContact CZ-CD1 4.28Å; F70-F190 AromaticContact CZ-CD2 3.78Å; F70-F190 HydrophobicContact CZ-CD2 3.78Å; F70-F190 AromaticContact CZ-CG 3.62Å; F70-F190 HydrophobicContact CZ-CG 3.62Å; F70-F190 PolarHBondContact O-N 3.43Å; F70-F190 VanDerWaalsContact O-N 3.14Å; L72-F190 HydrophobicContact CB-CE2 4.38Å; L72-F190 HydrophobicContact CD1-CD2 4.38Å; L72-F190 HydrophobicContact CD1-CE2 3.57Å; L72-F190 HydrophobicContact CD1-CZ 4.1Å; L72-F190 HydrophobicContact CG-CD2 4.35Å; L72-F190 HydrophobicContact CG-CE2 3.86Å; Y110-F190 HydrophobicContact CD2-CD1 4.12Å; Y110-F190 AromaticContact CD2-CE1 3.69Å; Y110-F190 HydrophobicContact CD2-CE1 3.69Å; Y110-F190 AromaticContact CE2-CD1 3.59Å; Y110-F190 HydrophobicContact CE2-CD1 3.59Å; Y110-F190 AromaticContact CE2-CE1 3.68Å; Y110-F190 HydrophobicContact CE2-CE1 3.68Å; Y110-F190 HydrophobicContact CG-CE1 4.21Å; Y110-F190 AromaticContact CZ-CD1 3.87Å; L126-F190 HydrophobicContact CD2-CE1 4.28Å; L126-F190 HydrophobicContact CD2-CZ 3.81Å; V128-F190 HydrophobicContact CG2-CD1 4.28Å; V128-F190 HydrophobicContact CG2-CE1 4.1Å; P180-F190 HydrophobicContact CB-CD1 4Å; P180-F190 HydrophobicContact CB-CE1 3.86Å; P180-F190 HydrophobicContact CB-CG 4.42Å; P180-F190 HydrophobicContact CB-CZ 4.15Å; P180-F190 HydrophobicContact CG-CD1 3.66Å; P180-F190 HydrophobicContact CG-CE1 3.42Å; P180-F190 VanDerWaalsContact CG-CE1 3.42Å; P180-F190 HydrophobicContact CG-CZ 4.12Å; L188-F190 HydrophobicContact CB-CD2 4.25Å; L188-F190 HydrophobicContact CB-CE2 3.49Å; L188-F190 VanDerWaalsContact CB-CE2 3.49Å; L188-F190 HydrophobicContact CB-CZ 4.03Å; L188-F190 HydrophobicContact CD1-CE2 4.2Å; L188-F190 HydrophobicContact CD1-CZ 3.91Å
191F98.3Very high95.9Very high18 Ų1851 Ų518%0.07924%0.244CC..EExtended strand (participates in β ladder)trans-123.5102.3178.6-65.2-91.2000110.9H69 E175 T176 P177 V181 K189H69-F191 HydrophobicContact CB-CD1 4.11Å; H69-F191 HydrophobicContact CB-CE1 4.44Å; E175-F191 WeakPolarHBondContact O-CE1 3.15Å; T176-F191 HydrophobicContact CG2-CB 4.32Å; T176-F191 HydrophobicContact CG2-CD1 3.89Å; T176-F191 HydrophobicContact CG2-CG 4.42Å; P177-F191 HydrophobicContact CG-CD2 4.05Å; P177-F191 HydrophobicContact CG-CE2 4.21Å; V181-F191 HydrophobicContact CB-CE2 4.27Å; V181-F191 HydrophobicContact CG2-CD2 4.48Å; V181-F191 HydrophobicContact CG2-CE2 3.78Å; K189-F191 HydrophobicContact CD-CE1 4.37Å; K189-F191 HydrophobicContact CD-CE2 3.99Å; K189-F191 HydrophobicContact CD-CZ 3.66Å; K189-F191 HydrophobicContact CG-CE2 3.94Å; K189-F191 HydrophobicContact CG-CZ 4.03Å
192L98Very high95.4Very high0 Ų053.4 Ų53.40%027%0.271CS..EExtended strand (participates in β ladder)trans-124.1161.8-170.2-61.5-170.9000111.9F67 F68 F70 I108 Y110 V128 L154F67-L192 CarbonylContact C-O 3.4Å; F67-L192 VanDerWaalsContact CA-O 3.26Å; F67-L192 WeakPolarHBondContact CA-O 3.19Å; F67-L192 WeakPolarHBondContact CD1-O 3.43Å; F68-L192 HydrophobicContact CD1-CB 4.1Å; F68-L192 WeakPolarHBondContact CD1-O 3.3Å; F68-L192 HydrophobicContact CE1-CB 3.52Å; F68-L192 HydrophobicContact CE2-CB 4.28Å; F68-L192 HydrophobicContact CZ-CB 3.63Å; F68-L192 HydrophobicContact CZ-CD1 4.08Å; F68-L192 HydrophobicContact CZ-CG 4.45Å; F68-L192 PolarHBondContact N-O 2.88Å; F68-L192 PolarHBondContact O-N 3.06Å; F70-L192 HydrophobicContact CE1-CD1 3.93Å; F70-L192 HydrophobicContact CZ-CD1 4.46Å; I108-L192 HydrophobicContact CD1-CD1 4.46Å; I108-L192 HydrophobicContact CD1-CD2 3.35Å; I108-L192 HydrophobicContact CD1-CG 4.5Å; Y110-L192 WeakPolarHBondContact OH-CD2 3.34Å; V128-L192 HydrophobicContact CG1-CD1 3.87Å; L154-L192 HydrophobicContact CD1-CD1 4.27Å; L154-L192 HydrophobicContact CD2-CD1 4.2Å
193K97.3Very high94.8Very high28 Ų2854.1 Ų54.112%0.12229%0.292CS..EExtended strand (participates in β ladder)trans-130.6127169.5174.3159.7166.2173.10110.1K64 S65 F67 L155 M160K64-K193 WeakPolarHBondContact O-CE 3.37Å; S65-K193 WeakPolarHBondContact O-CE 3.27Å; S65-K193 PolarHBondContact O-NZ 2.74Å; F67-K193 HydrophobicContact CD1-CB 3.77Å; F67-K193 HydrophobicContact CE1-CB 3.76Å; F67-K193 HydrophobicContact CE1-CD 4.39Å; F67-K193 HydrophobicContact CE2-CD 4.23Å; F67-K193 HydrophobicContact CG-CB 4.34Å; F67-K193 HydrophobicContact CZ-CB 4.33Å; F67-K193 HydrophobicContact CZ-CD 4.13Å; L155-K193 PolarHBondContact N-O 3.42Å; L155-K193 PolarHBondContact O-N 3.49Å; M160-K193 HydrophobicContact SD-CD 3.78Å
194C97.5Very high94.2Very high0 Ų058.2 Ų58.20%031%0.314CS..EExtended strand (participates in β ladder)trans-89.7117.6176-174.50000110L62 F68 L130 V153 Q196 V234L62-C194 HydrophobicContact CD2-CB 4.19Å; F68-C194 HydrophobicContact CE1-CB 4.1Å; L130-C194 HydrophobicContact CD1-CB 4.29Å; L130-C194 VanDerWaalsContact CD1-SG 3.5Å; V153-C194 CarbonylContact O-C 3.07Å; V153-C194 WeakPolarHBondContact O-CA 3.41Å; C194-Q196 PolarHBondContact SG-O 2.88Å; C194-V234 HydrophobicContact CB-CG1 4.2Å; C194-V234 HydrophobicContact CB-CG2 4.23Å
195N96.6Very high93.6Very high9 Ų955.5 Ų55.55%0.04830%0.304CS..  trans-96.43.2178.5-163.831.1000112.8K64 Y141 M150 R152 V153 L155K64-N195 WeakPolarHBondContact CE-O 3.35Å; K64-N195 WeakPolarHBondContact CE-OD1 3.28Å; K64-N195 PolarHBondContact NZ-O 3.04Å; K64-N195 PolarHBondContact NZ-OD1 2.81Å; Y141-N195 HydrophobicContact CE2-CB 4.44Å; M150-N195 PolarHBondContact O-ND2 3.45Å; R152-N195 WeakPolarHBondContact O-CB 3.22Å; V153-N195 PolarHBondContact O-N 2.95Å; L155-N195 HydrophobicContact CD1-CB 3.85Å; L155-N195 HydrophobicContact CG-CB 4.41Å
196Q96.4Very high92.7Very high12 Ų1258.7 Ų58.76%0.05632%0.316CS..SBendtrans-102.9135.5171.6-175.351.948.500110.6I139 V153 C194 F211 V234I139-Q196 HydrophobicContact CG2-CB 4.37Å; I139-Q196 HydrophobicContact CG2-CG 3.77Å; V153-Q196 HydrophobicContact CB-CB 4.46Å; V153-Q196 HydrophobicContact CG1-CB 4.08Å; V153-Q196 HydrophobicContact CG2-CB 4.21Å; C194-Q196 PolarHBondContact SG-O 2.88Å; Q196-F211 HydrophobicContact CB-CE2 4.37Å; Q196-F211 HydrophobicContact CG-CE2 4.28Å; Q196-F211 HydrophobicContact CG-CZ 4.02Å; Q196-V234 VanDerWaalsContact O-CG1 3.28Å; Q196-V234 WeakPolarHBondContact O-CG1 3.32Å
197N95.4Very high91.8Very high41 Ų4161.7 Ų61.722%0.21934%0.335CS..  trans-83.2148.2169.8-68.8-34.7000109.7K64 L199 F211K64-N197 WeakPolarHBondContact CD-OD1 3.48Å; N197-L199 VanDerWaalsContact C-N 3.31Å; N197-L199 WeakPolarHBondContact CB-O 3.28Å; N197-F211 WeakPolarHBondContact O-CZ 3.5Å
198C94.9Very high90.9Very high2 Ų265.5 Ų65.51%0.01436%0.355CS..SBendtrans-65.5-36.9167.6-650000111.8R209 F211 F233 V234C198-R209 HydrophobicContact CB-CB 4.38Å; C198-R209 VanDerWaalsContact CB-O 3.31Å; C198-R209 WeakPolarHBondContact CB-O 3.37Å; C198-R209 VanDerWaalsContact O-CD 3.23Å; C198-R209 WeakPolarHBondContact O-CD 3.36Å; C198-F211 HydrophobicContact CB-CE1 4.23Å; C198-F211 HydrophobicContact CB-CZ 4.16Å; C198-F211 VanDerWaalsContact SG-CD2 3.54Å; C198-F211 VanDerWaalsContact SG-CE2 3.55Å; C198-F233 HydrophobicContact CB-CD2 3.91Å; C198-F233 HydrophobicContact CB-CE2 4.01Å; C198-V234 PolarHBondContact N-O 2.99Å; C198-V234 PolarHBondContact SG-N 3.04Å
199L92.7Very high90.7Very high42 Ų4268.1 Ų68.122%0.2237%0.365CS..  trans-100.1127.4176.5-53.4-177.4000110.6N197 P205 D207 F233N197-L199 VanDerWaalsContact C-N 3.31Å; N197-L199 WeakPolarHBondContact CB-O 3.28Å; L199-P205 HydrophobicContact CD1-CB 3.76Å; L199-P205 HydrophobicContact CD1-CG 3.62Å; L199-D207 WeakPolarHBondContact CD2-O 3.16Å; L199-F233 HydrophobicContact CD1-CE2 4.13Å; L199-F233 HydrophobicContact CD1-CZ 3.86Å; L199-F233 HydrophobicContact CD2-CE2 4.29Å; L199-F233 HydrophobicContact CG-CE2 3.91Å; L199-F233 HydrophobicContact CG-CZ 4.09Å
200K88.5Confident90.6Very high131 Ų13168.6 Ų68.657%0.5737%0.365SS*.  trans-74.6-46.2-179.5-53.2-175.6-177.4-155.10111.9E142E142-K200 WeakPolarHBondContact OE1-CE 2.94Å; E142-K200 IonicContact OE1-NZ 3.72Å; E142-K200 PolarHBondContact OE1-NZ 3.31Å; E142-K200 VanDerWaalsContact OE2-CD 3.24Å; E142-K200 WeakPolarHBondContact OE2-CD 3.4Å; E142-K200 WeakPolarHBondContact OE2-CE 3.36Å; E142-K200 IonicContact OE2-NZ 2.67Å; E142-K200 PolarHBondContact OE2-NZ 2.79Å
201N87.3Confident90.5Very high144 Ų14468.6 Ų68.677%0.7737%0.365SS*.SBendtrans-104.5156.5-169.1-62.8-20.4000112.4
202A86.1Confident90.5Very high111 Ų11168.8 Ų68.892%0.91737%0.367SS*.SBendtrans-76.6149.5166.100000111.1
203G85.8Confident90.5Very high72 Ų7268.8 Ų68.874%0.74237%0.367SS*.SBendtrans141.8-171.8-179.200000111.8
204N83.5Confident90.6Very high143 Ų14367.5 Ų67.577%0.76536%0.361SS*.SBendtrans-74.7130.6166.7-171.451.2000109.2R206N204-R206 PolarHBondContact O-N 2.97Å
205P82.3Confident90.6Very high69 Ų6967.5 Ų67.545%0.44836%0.361SS..  trans-56.9126.3176.3-23.934.2000111.4L199L199-P205 HydrophobicContact CD1-CB 3.76Å; L199-P205 HydrophobicContact CD1-CG 3.62Å
206R77.3Confident90.6Very high222 Ų22267.1 Ų67.184%0.83836%0.359SS*.  trans-108-50.8167.1-67.1-173.9176.6-166.6-1.8109.6N204 M208N204-R206 PolarHBondContact O-N 2.97Å; R206-M208 PolarHBondContact O-N 2.74Å
207D77.5Confident90.5Very high129 Ų12968.5 Ų68.569%0.6937%0.368SS*.SBendtrans-82.8114.8179.8-41.1-54.8000110.4L199 R209L199-D207 WeakPolarHBondContact CD2-O 3.16Å; D207-R209 PolarHBondContact O-N 3.17Å
208M78.3Confident90.4Very high144 Ų14470.1 Ų70.171%0.70938%0.38SS*.  trans-84.150.3-176.9-69.6-172.862.200113.2R206 R210R206-M208 PolarHBondContact O-N 2.74Å; M208-R210 PolarHBondContact O-N 2.77Å
209R93.6Very high90.2Very high55 Ų5571.1 Ų71.121%0.20839%0.386CS..  trans-60.2132.8175.2-161.6-178.5-164.4-173.95.9110.4D132 E142 C198 D207 F211D132-R209 WeakPolarHBondContact OD2-CG 3.44Å; D132-R209 IonicContact OD2-CZ 3.72Å; D132-R209 IonicContact OD2-NE 3.95Å; D132-R209 PolarHBondContact OD2-NE 3Å; D132-R209 IonicContact OD2-NH2 2.77Å; D132-R209 PolarHBondContact OD2-NH2 3.45Å; E142-R209 IonicContact OE1-NH1 2.74Å; C198-R209 HydrophobicContact CB-CB 4.38Å; C198-R209 VanDerWaalsContact CB-O 3.31Å; C198-R209 WeakPolarHBondContact CB-O 3.37Å; C198-R209 VanDerWaalsContact O-CD 3.23Å; C198-R209 WeakPolarHBondContact O-CD 3.36Å; D207-R209 PolarHBondContact O-N 3.17Å; R209-F211 HydrophobicContact CG-CE1 4.28Å
210R96.1Very high90.1Very high68 Ų6871 Ų7126%0.25739%0.388SS..  trans-135.9161.5170.2-62.1-175.2176-105-3.8109.3S60 S133 M208 N231 F233S60-R210 PolarHBondContact O-NH1 2.7Å; S133-R210 WeakPolarHBondContact CB-O 3.48Å; S133-R210 PolarHBondContact N-O 3.11Å; S133-R210 PolarHBondContact OG-O 2.83Å; M208-R210 PolarHBondContact O-N 2.77Å; R210-N231 HydrophobicContact CB-CB 4.31Å; R210-F233 HydrophobicContact CG-CB 4.38Å; R210-F233 HydrophobicContact CG-CD2 4.44Å
211F98Very high90Very high0 Ų065.5 Ų65.50%037%0.366CS..EExtended strand (participates in β ladder)trans-111.7151.8178.9-56.1-24.2000110.8L130 I131 I139 Q196 N197 C198 R209 M232 V234L130-F211 HydrophobicContact CD1-CB 4.37Å; L130-F211 HydrophobicContact CD1-CD2 3.85Å; L130-F211 HydrophobicContact CD1-CG 4.44Å; I131-F211 CarbonylContact O-C 3.58Å; I131-F211 VanDerWaalsContact O-CA 3.24Å; I131-F211 WeakPolarHBondContact O-CA 3.3Å; I139-F211 HydrophobicContact CD1-CD1 3.4Å; I139-F211 HydrophobicContact CD1-CE1 3.37Å; I139-F211 HydrophobicContact CD1-CG 4.32Å; I139-F211 HydrophobicContact CD1-CZ 4.26Å; I139-F211 HydrophobicContact CG1-CD1 3.63Å; I139-F211 HydrophobicContact CG1-CE1 3.77Å; I139-F211 HydrophobicContact CG1-CG 4.08Å; I139-F211 HydrophobicContact CG1-CZ 4.28Å; I139-F211 HydrophobicContact CG2-CE1 4.07Å; I139-F211 HydrophobicContact CG2-CE2 4.35Å; I139-F211 HydrophobicContact CG2-CZ 3.86Å; Q196-F211 HydrophobicContact CB-CE2 4.37Å; Q196-F211 HydrophobicContact CG-CE2 4.28Å; Q196-F211 HydrophobicContact CG-CZ 4.02Å; N197-F211 WeakPolarHBondContact O-CZ 3.5Å; C198-F211 HydrophobicContact CB-CE1 4.23Å; C198-F211 HydrophobicContact CB-CZ 4.16Å; C198-F211 VanDerWaalsContact SG-CD2 3.54Å; C198-F211 VanDerWaalsContact SG-CE2 3.55Å; R209-F211 HydrophobicContact CG-CE1 4.28Å; F211-M232 PolarHBondContact N-O 3.16Å; F211-M232 PolarHBondContact O-N 3.4Å; F211-V234 HydrophobicContact CD2-CB 4.34Å; F211-V234 HydrophobicContact CD2-CG2 3.72Å; F211-V234 HydrophobicContact CE2-CB 4.28Å; F211-V234 HydrophobicContact CE2-CG2 4.12Å
212Q98.3Very high89.8Confident23 Ų2365.3 Ų65.311%0.10736%0.36CS..EExtended strand (participates in β ladder)trans-121.8146.4166.1-60.6-179.5-85.600108.8L130 I131 V228 S229 N231L130-Q212 WeakPolarHBondContact CA-O 3.45Å; I131-Q212 HydrophobicContact CD1-CB 4.49Å; I131-Q212 HydrophobicContact CG1-CB 3.98Å; I131-Q212 PolarHBondContact N-O 3.01Å; I131-Q212 PolarHBondContact O-N 2.92Å; Q212-V228 HydrophobicContact CB-CG1 3.68Å; Q212-V228 HydrophobicContact CG-CG1 4.29Å; Q212-S229 WeakPolarHBondContact CG-O 3.35Å; Q212-S229 PolarHBondContact NE2-O 3.22Å; Q212-N231 VanDerWaalsContact CG-OD1 3.25Å; Q212-N231 WeakPolarHBondContact CG-OD1 3.31Å
213V98.4Very high89.6Confident0 Ų062.4 Ų62.40%034%0.341CS..EExtended strand (participates in β ladder)trans-82.4126.8170.7-176.20000108F54 P58 F68 F70 V128 L130 V228 S229 M232F54-V213 HydrophobicContact CE1-CB 4.45Å; F54-V213 HydrophobicContact CZ-CB 4.18Å; F54-V213 HydrophobicContact CZ-CG1 4.25Å; P58-V213 HydrophobicContact CB-CG2 4.3Å; P58-V213 HydrophobicContact CG-CG2 3.94Å; F68-V213 HydrophobicContact CE2-CG2 4.12Å; F70-V213 HydrophobicContact CE1-CG1 3.9Å; F70-V213 HydrophobicContact CE1-CG2 4.48Å; F70-V213 HydrophobicContact CZ-CG1 3.93Å; V128-V213 HydrophobicContact CG1-CG1 3.6Å; L130-V213 HydrophobicContact CD2-CB 4.29Å; L130-V213 HydrophobicContact CD2-CG2 3.73Å; V213-V228 CarbonylContact O-C 3.58Å; V213-V228 WeakPolarHBondContact O-CA 3.23Å; V213-S229 PolarHBondContact N-OG 2.91Å; V213-S229 PolarHBondContact O-N 3.04Å; V213-M232 HydrophobicContact CG2-CE 4.39Å
214V98Very high89.7Confident1 Ų165.3 Ų65.31%0.00634%0.335CS..EExtended strand (participates in β ladder)trans-102.9140.2171176.20000109.3V128 R129 I131 V221 V225 V228V128-V214 WeakPolarHBondContact CA-O 3.17Å; R129-V214 PolarHBondContact N-O 2.59Å; R129-V214 VanDerWaalsContact N-O 3.14Å; R129-V214 PolarHBondContact O-N 3.25Å; I131-V214 HydrophobicContact CB-CG2 4.1Å; I131-V214 HydrophobicContact CD1-CG2 3.49Å; I131-V214 VanDerWaalsContact CD1-CG2 3.49Å; I131-V214 HydrophobicContact CG1-CG2 3.61Å; I131-V214 HydrophobicContact CG2-CB 4.45Å; I131-V214 HydrophobicContact CG2-CG2 3.48Å; I131-V214 VanDerWaalsContact CG2-CG2 3.48Å; V214-V221 HydrophobicContact CB-CG1 4.49Å; V214-V221 HydrophobicContact CG1-CG1 4.21Å; V214-V225 HydrophobicContact CG1-CB 3.89Å; V214-V225 HydrophobicContact CG1-CG1 3.54Å; V214-V228 HydrophobicContact CG2-CG1 4.43Å; V214-V228 HydrophobicContact CG2-CG2 4.33Å
215V97.9Very high90.3Very high0 Ų060.4 Ų60.40%031%0.31CS..EExtended strand (participates in β ladder)trans-121.2128172.6-174.70000108.3F54 L72 L126 Y127 L226 A227F54-V215 HydrophobicContact CE2-CG2 4.37Å; F54-V215 HydrophobicContact CZ-CG2 3.85Å; L72-V215 HydrophobicContact CD1-CB 4.35Å; L72-V215 HydrophobicContact CD1-CG1 3.81Å; L72-V215 HydrophobicContact CD1-CG2 3.74Å; L72-V215 HydrophobicContact CD2-CG2 4.23Å; L126-V215 HydrophobicContact CD1-CG1 3.79Å; L126-V215 HydrophobicContact CD2-CG1 4.08Å; L126-V215 HydrophobicContact CG-CG1 4.1Å; Y127-V215 WeakPolarHBondContact O-CA 3.08Å; V215-L226 HydrophobicContact CG1-CB 4.45Å; V215-L226 HydrophobicContact CG1-CD1 4.37Å; V215-L226 WeakPolarHBondContact O-CA 3.47Å; V215-L226 WeakPolarHBondContact O-CB 3.5Å; V215-L226 PolarHBondContact O-N 3.03Å; V215-A227 PolarHBondContact N-O 3.13Å; V215-A227 PolarHBondContact O-N 3.21Å
216S96.3Very high90.9Very high0 Ų057.6 Ų57.60%029%0.291CS..EExtended strand (participates in β ladder)trans-149.3157.9-175.350.80000111.9Y127 T218Y127-S216 PolarHBondContact N-O 2.96Å; Y127-S216 PolarHBondContact O-N 2.69Å; Y127-S216 VanDerWaalsContact O-N 3.1Å; S216-T218 VanDerWaalsContact C-N 3.31Å; S216-T218 WeakPolarHBondContact CB-O 3.46Å; S216-T218 PolarHBondContact OG-O 2.92Å
217T94.6Very high91.9Very high41 Ų4147.7 Ų47.725%0.25226%0.257SS..SBendtrans-86.1-2.6171.451.40000113.1L49 L226L49-T217 HydrophobicContact CB-CG2 4.43Å; L49-T217 HydrophobicContact CD1-CG2 4.41Å; T217-L226 HydrophobicContact CG2-CD1 3.9Å; T217-L226 HydrophobicContact CG2-CD2 4.42Å; T217-L226 HydrophobicContact CG2-CG 4.3Å
218T93.1Very high92.9Very high75 Ų7544.3 Ų44.346%0.4624%0.241SC..SBendtrans-134.8163.7175.872.40000110.4Y127 S216 S220Y127-T218 WeakPolarHBondContact CD2-O 3.28Å; S216-T218 VanDerWaalsContact C-N 3.31Å; S216-T218 WeakPolarHBondContact CB-O 3.46Å; S216-T218 PolarHBondContact OG-O 2.92Å; T218-S220 VanDerWaalsContact C-N 3.33Å; T218-S220 PolarHBondContact O-N 2.94Å
219V91.8Very high93.8Very high23 Ų2337.5 Ų37.514%0.13921%0.208CC..SBendtrans-66.6-31.3179.8175.70000112.9V93 Y127 R129V93-V219 HydrophobicContact CG1-CG1 3.68Å; Y127-V219 HydrophobicContact CD1-CG2 3.83Å; Y127-V219 HydrophobicContact CE1-CG2 3.53Å; Y127-V219 HydrophobicContact CE2-CG2 4.25Å; Y127-V219 HydrophobicContact CG-CG2 4.32Å; R129-V219 WeakPolarHBondContact CD-O 3.34Å; R129-V219 PolarHBondContact NH1-O 3.2Å
220S88.8Confident94Very high40 Ų4039.3 Ų39.328%0.2822%0.221SC..  trans-70.4138.4-176.1-177.50000111.9T218 E222T218-S220 VanDerWaalsContact C-N 3.33Å; T218-S220 PolarHBondContact O-N 2.94Å; S220-E222 PolarHBondContact OG-N 2.88Å
221V86.8Confident94.1Very high16 Ų1639.3 Ų39.310%0.09723%0.227CC..SBendtrans-104-7.4177.5-60.80000113.3R129 I131 A138 V214R129-V221 HydrophobicContact CB-CG1 4.1Å; R129-V221 HydrophobicContact CG-CG1 4.43Å; I131-V221 HydrophobicContact CG2-CB 3.95Å; I131-V221 HydrophobicContact CG2-CG1 4.08Å; I131-V221 HydrophobicContact CG2-CG2 3.99Å; A138-V221 HydrophobicContact CB-CG2 4.13Å; V214-V221 HydrophobicContact CB-CG1 4.49Å; V214-V221 HydrophobicContact CG1-CG1 4.21Å
222E82.9Confident94.1Very high139 Ų13939.3 Ų39.365%0.6523%0.227SC*.SBendtrans-86.3-8.9-178.7-57.8-165.1127.800113.3Q137 S220Q137-E222 PolarHBondContact NE2-OE1 2.77Å; S220-E222 PolarHBondContact OG-N 2.88Å
223G82.5Confident94Very high50 Ų5039.5 Ų39.552%0.51523%0.227SC..SBendtrans-106.9-149.3-178.100000114.1V225G223-V225 PolarHBondContact O-N 2.87Å
224H88.4Confident93.9Very high134 Ų13439.5 Ų39.562%0.6223%0.227SC*.  trans-70.8112.3177.9-179.3-73.1000111.7A50A50-H224 PolarHBondContact O-CE1 3.02Å
225V95.3Very high93.8Very high40 Ų4040.6 Ų40.624%0.24223%0.232CC..  trans-105.9149.1175.5-59.80000110.7V214 G223 V228V214-V225 HydrophobicContact CG1-CB 3.89Å; V214-V225 HydrophobicContact CG1-CG1 3.54Å; G223-V225 PolarHBondContact O-N 2.87Å; V225-V228 HydrophobicContact CG2-CG2 3.78Å
226L96.4Very high93.6Very high9 Ų945.1 Ų45.15%0.04726%0.256CS..SBendtrans-74-36.7179.8-67177000112.3L49 R51 A52 L126 V215 T217L49-L226 HydrophobicContact CB-CD1 4.22Å; L49-L226 HydrophobicContact CB-CD2 3.85Å; L49-L226 HydrophobicContact CD1-CD1 3.83Å; R51-L226 WeakPolarHBondContact CA-O 3.5Å; A52-L226 HydrophobicContact CB-CB 4.03Å; A52-L226 PolarHBondContact N-O 3.04Å; L126-L226 HydrophobicContact CD1-CD1 3.68Å; V215-L226 HydrophobicContact CG1-CB 4.45Å; V215-L226 HydrophobicContact CG1-CD1 4.37Å; V215-L226 WeakPolarHBondContact O-CA 3.47Å; V215-L226 WeakPolarHBondContact O-CB 3.5Å; V215-L226 PolarHBondContact O-N 3.03Å; T217-L226 HydrophobicContact CG2-CD1 3.9Å; T217-L226 HydrophobicContact CG2-CD2 4.42Å; T217-L226 HydrophobicContact CG2-CG 4.3Å
227A97.1Very high93.4Very high14 Ų1449 Ų4912%0.11628%0.277CS..EExtended strand (participates in β ladder)trans-161.5158.217700000112.3A52 F54 V215A52-A227 HydrophobicContact CB-CB 3.89Å; F54-A227 HydrophobicContact CD2-CB 3.93Å; F54-A227 HydrophobicContact CE2-CB 3.58Å; V215-A227 PolarHBondContact N-O 3.13Å; V215-A227 PolarHBondContact O-N 3.21Å
228V98.1Very high93.2Very high58 Ų5850.2 Ų50.235%0.35229%0.287SS..EExtended strand (participates in β ladder)trans-131.3133.5170-172.60000108.8I131 Q212 V213 V214 V225I131-V228 HydrophobicContact CD1-CG1 4.09Å; Q212-V228 HydrophobicContact CB-CG1 3.68Å; Q212-V228 HydrophobicContact CG-CG1 4.29Å; V213-V228 CarbonylContact O-C 3.58Å; V213-V228 WeakPolarHBondContact O-CA 3.23Å; V214-V228 HydrophobicContact CG2-CG1 4.43Å; V214-V228 HydrophobicContact CG2-CG2 4.33Å; V225-V228 HydrophobicContact CG2-CG2 3.78Å
229S98.3Very high93Very high2 Ų253.9 Ų53.91%0.01430%0.297CS..  trans-80.4171.6-17680.90000114.2P58 Q212 V213P58-S229 WeakPolarHBondContact CG-OG 3.4Å; Q212-S229 WeakPolarHBondContact CG-O 3.35Å; Q212-S229 PolarHBondContact NE2-O 3.22Å; V213-S229 PolarHBondContact N-OG 2.91Å; V213-S229 PolarHBondContact O-N 3.04Å
230D98.1Very high92.8Very high92 Ų9256.2 Ų56.249%0.49231%0.306SS..  trans-60.2163162.5-76-20.7000112.8Q57 M232Q57-D230 HydrophobicContact CB-CB 4.45Å; Q57-D230 VanDerWaalsContact CD-CG 3.45Å; Q57-D230 HydrophobicContact CG-CB 4.28Å; Q57-D230 WeakPolarHBondContact CG-OD2 3.41Å; Q57-D230 PolarHBondContact NE2-OD1 3.34Å; Q57-D230 PolarHBondContact NE2-OD2 2.85Å; D230-M232 PolarHBondContact O-N 3.22Å
231N97.6Very high92.6Very high69 Ų6957.9 Ų57.937%0.36933%0.33SS..  trans-73110.7-174.7-73.4-38000113.6S60 S133 R210 Q212S60-N231 WeakPolarHBondContact CA-O 3.43Å; S133-N231 WeakPolarHBondContact CB-OD1 3.45Å; R210-N231 HydrophobicContact CB-CB 4.31Å; Q212-N231 VanDerWaalsContact CG-OD1 3.25Å; Q212-N231 WeakPolarHBondContact CG-OD1 3.31Å
232M97.3Very high92.5Very high0 Ų066.6 Ų66.60%036%0.361CS..BIsolated β-bridgetrans-94.3128.8173.5173.4169.262.100111.8P58 P59 L62 F68 L130 F211 V213 D230 V234P58-M232 HydrophobicContact CB-SD 4.48Å; P59-M232 VanDerWaalsContact O-CG 3.28Å; P59-M232 WeakPolarHBondContact O-CG 3.35Å; L62-M232 HydrophobicContact CB-CG 4.13Å; L62-M232 HydrophobicContact CB-SD 3.95Å; L62-M232 HydrophobicContact CD2-SD 3.63Å; L62-M232 HydrophobicContact CG-SD 4.43Å; F68-M232 HydrophobicContact CD2-CE 4.49Å; F68-M232 HydrophobicContact CD2-SD 4.18Å; F68-M232 HydrophobicContact CE1-CE 4.43Å; F68-M232 HydrophobicContact CE2-CE 4.01Å; F68-M232 HydrophobicContact CE2-SD 4.29Å; F68-M232 HydrophobicContact CG-SD 4.37Å; F68-M232 HydrophobicContact CZ-CE 3.97Å; L130-M232 HydrophobicContact CD1-CE 4.26Å; L130-M232 HydrophobicContact CD2-CE 4.19Å; F211-M232 PolarHBondContact N-O 3.16Å; F211-M232 PolarHBondContact O-N 3.4Å; V213-M232 HydrophobicContact CG2-CE 4.39Å; D230-M232 PolarHBondContact O-N 3.22Å; M232-V234 HydrophobicContact CE-CG2 4.12Å; M232-V234 HydrophobicContact CG-CG2 3.89Å; M232-V234 HydrophobicContact SD-CG2 4.17Å
233F96.8Very high92.3Very high27 Ų2771.2 Ų71.212%0.11837%0.372CS..EExtended strand (participates in β ladder)trans-104107.6173.5177.2-111.3000111.7S60 N61 L62 C198 L199 R210 H235 H240S60-F233 PolarHBondContact O-N 3Å; N61-F233 CarbonylContact C-O 3.5Å; N61-F233 WeakPolarHBondContact CA-O 3.5Å; L62-F233 PolarHBondContact N-O 3.03Å; C198-F233 HydrophobicContact CB-CD2 3.91Å; C198-F233 HydrophobicContact CB-CE2 4.01Å; L199-F233 HydrophobicContact CD1-CE2 4.13Å; L199-F233 HydrophobicContact CD1-CZ 3.86Å; L199-F233 HydrophobicContact CD2-CE2 4.29Å; L199-F233 HydrophobicContact CG-CE2 3.91Å; L199-F233 HydrophobicContact CG-CZ 4.09Å; R210-F233 HydrophobicContact CG-CB 4.38Å; R210-F233 HydrophobicContact CG-CD2 4.44Å; F233-H235 HydrophobicContact CD1-CB 4.5Å; F233-H235 AromaticContact CD1-CD2 3.84Å; F233-H235 HydrophobicContact CE1-CB 3.98Å; F233-H235 HydrophobicContact CZ-CB 4.47Å; F233-H240 AromaticContact CD1-CE1 3.95Å; F233-H240 AromaticContact CE1-CE1 3.97Å
234V96.9Very high91.9Very high0 Ų073.4 Ų73.40%039%0.386CS..EExtended strand (participates in β ladder)trans-93.1122.2-176.9-168.20000111.5L62 K64 C194 Q196 C198 F211 M232L62-V234 HydrophobicContact CB-CG2 4.4Å; L62-V234 HydrophobicContact CD2-CG2 4.35Å; L62-V234 CarbonylContact O-C 3.49Å; L62-V234 WeakPolarHBondContact O-CA 3.42Å; K64-V234 HydrophobicContact CB-CG1 4.09Å; C194-V234 HydrophobicContact CB-CG1 4.2Å; C194-V234 HydrophobicContact CB-CG2 4.23Å; Q196-V234 VanDerWaalsContact O-CG1 3.28Å; Q196-V234 WeakPolarHBondContact O-CG1 3.32Å; C198-V234 PolarHBondContact N-O 2.99Å; C198-V234 PolarHBondContact SG-N 3.04Å; F211-V234 HydrophobicContact CD2-CB 4.34Å; F211-V234 HydrophobicContact CD2-CG2 3.72Å; F211-V234 HydrophobicContact CE2-CB 4.28Å; F211-V234 HydrophobicContact CE2-CG2 4.12Å; M232-V234 HydrophobicContact CE-CG2 4.12Å; M232-V234 HydrophobicContact CG-CG2 3.89Å; M232-V234 HydrophobicContact SD-CG2 4.17Å
235H94.3Very high91Very high23 Ų2377.7 Ų77.711%0.10640%0.397CS..EExtended strand (participates in β ladder)trans-136.7160.1-175.360.380.1000112.6L62 R63 K64 F233 N237 H240L62-H235 PolarHBondContact O-CD2 2.72Å; L62-H235 VanDerWaalsContact O-CD2 3.29Å; L62-H235 PolarHBondContact O-N 2.93Å; L62-H235 PolarHBondContact O-NE2 2.83Å; R63-H235 CarbonylContact C-O 3.53Å; R63-H235 WeakPolarHBondContact CA-O 3.18Å; K64-H235 PolarHBondContact N-O 3.31Å; F233-H235 HydrophobicContact CD1-CB 4.5Å; F233-H235 AromaticContact CD1-CD2 3.84Å; F233-H235 HydrophobicContact CE1-CB 3.98Å; F233-H235 HydrophobicContact CZ-CB 4.47Å; H235-N237 PolarHBondContact CE1-O 2.74Å; H235-N237 VanDerWaalsContact CE1-O 3.25Å; H235-N237 PolarHBondContact ND1-N 2.93Å; H235-N237 PolarHBondContact ND1-O 2.93Å; H235-H240 AromaticContact CD2-CG 3.86Å; H235-H240 WeakPolarHBondContact CE1-CB 3.49Å; H235-H240 AromaticContact CE1-CG 3.7Å; H235-H240 AromaticContact NE2-CD2 3.45Å; H235-H240 PolarHBondContact NE2-CD2 3.46Å; H235-H240 AromaticContact NE2-CG 3.43Å
236N94.3Very high89.4Confident95 Ų9583.1 Ų83.151%0.50841%0.413SS..  trans-103.110.8169.3-157.514.5000114.3
237N92.4Very high87.6Confident81 Ų8190.6 Ų90.643%0.43345%0.452SS..  trans-79.9124.1178.3-173.51.4000112H235 K239 H240H235-N237 PolarHBondContact CE1-O 2.74Å; H235-N237 VanDerWaalsContact CE1-O 3.25Å; H235-N237 PolarHBondContact ND1-N 2.93Å; H235-N237 PolarHBondContact ND1-O 2.93Å; N237-K239 WeakPolarHBondContact OD1-CA 3.23Å; N237-K239 WeakPolarHBondContact OD1-CB 2.95Å; N237-K239 PolarHBondContact OD1-N 3.37Å; N237-H240 HydrophobicContact CB-CB 4.35Å
238S90.6Very high85.2Confident68 Ų6892.7 Ų92.748%0.47646%0.461SS..THydrogen-bonded Turntrans-81.2-14.3173.657.70000114.2
239K89.9Confident83.2Confident152 Ų15292.9 Ų92.966%0.66146%0.464SS*.THydrogen-bonded Turntrans-96.53.4177.4-54.2175.8-175.51730112.7N237 R242N237-K239 WeakPolarHBondContact OD1-CA 3.23Å; N237-K239 WeakPolarHBondContact OD1-CB 2.95Å; N237-K239 PolarHBondContact OD1-N 3.37Å; K239-R242 WeakPolarHBondContact O-CB 3.47Å; K239-R242 PolarHBondContact O-N 3.14Å; K239-R242 VanDerWaalsContact O-N 3.13Å
240H87.4Confident81Confident71 Ų7195 Ų9533%0.32948%0.478SS..THydrogen-bonded Turntrans-56.8145.5177.2-177.286.8000111N61 F233 H235 N237 R242N61-H240 PolarHBondContact OD1-NE2 3.32Å; F233-H240 AromaticContact CD1-CE1 3.95Å; F233-H240 AromaticContact CE1-CE1 3.97Å; H235-H240 AromaticContact CD2-CG 3.86Å; H235-H240 WeakPolarHBondContact CE1-CB 3.49Å; H235-H240 AromaticContact CE1-CG 3.7Å; H235-H240 AromaticContact NE2-CD2 3.45Å; H235-H240 PolarHBondContact NE2-CD2 3.46Å; H235-H240 AromaticContact NE2-CG 3.43Å; N237-H240 HydrophobicContact CB-CB 4.35Å; H240-R242 PolarHBondContact O-N 3.36Å
241G83.1Confident78.7Confident76 Ų7695.3 Ų95.378%0.78448%0.477SS*.THydrogen-bonded Turntrans71.3-17.2-173.400000115.5
242R85.7Confident76.1Confident198 Ų19893.9 Ų93.975%0.74748%0.478SS*.SBendtrans-83.6130.3176.7-52.6-173.1-175.1-156-2.7109.7K239 H240K239-R242 WeakPolarHBondContact O-CB 3.47Å; K239-R242 PolarHBondContact O-N 3.14Å; K239-R242 VanDerWaalsContact O-N 3.13Å; H240-R242 PolarHBondContact O-N 3.36Å
243R78.1Confident73.5Confident236 Ų23698.9 Ų98.989%0.89151%0.509SS*.PPolyproline II helixtrans-57.8145.9167.8-66.2-176.5180-175.8-0.1109.3R245R243-R245 PolarHBondContact O-N 3.33Å
244A73.7Confident71Confident97 Ų97103 Ų10380%0.80254%0.538SS*.PPolyproline II helixtrans-59.4123.5174.300000109.3R246A244-R246 PolarHBondContact O-N 3.47Å
245R69.4Low68.7Low223 Ų223107.8 Ų107.884%0.84257%0.572SS**PPolyproline II helixtrans-65.1125.5167.6-66.9-164.9-68.1-163.82.6107.1R243 L247R243-R245 PolarHBondContact O-N 3.33Å; R245-L247 PolarHBondContact O-N 3.43Å
246R61.5Low66Low154 Ų154117.2 Ų117.258%0.58161%0.608SS**PPolyproline II helixtrans-56.6130.7171.7-74.5-178.8170.3-175-8108A244 D248 E251A244-R246 PolarHBondContact O-N 3.47Å; R246-D248 PolarHBondContact O-N 2.73Å; R246-E251 IonicContact CZ-OE2 3.87Å; R246-E251 IonicContact NH1-OE2 3.58Å; R246-E251 PolarHBondContact NH1-OE2 3.26Å
247L59Low63.4Low167 Ų167120 Ų12087%0.87462%0.622SS**  trans-87.525.2174.2-64.5174.6000111.4R245 P249R245-L247 PolarHBondContact O-N 3.43Å; L247-P249 WeakPolarHBondContact O-CD 3.05Å
248D47.8Very low61Low57 Ų57124.3 Ų124.331%0.30564%0.64SS.*  trans-89.7115.5167.6-83.6-61.7000109.4R246 S250 E251 K330R246-D248 PolarHBondContact O-N 2.73Å; D248-S250 PolarHBondContact O-N 3.14Å; D248-E251 PolarHBondContact O-N 3.26Å; D248-K330 WeakPolarHBondContact OD1-CD 3.13Å; D248-K330 IonicContact OD1-NZ 3.48Å; D248-K330 PolarHBondContact OD1-NZ 2.73Å
249P54.5Low59.2Low63 Ų63127.8 Ų127.841%0.40965%0.648SS.*THydrogen-bonded Turntrans-60.9-10177.3-24.535.3000114.7L247L247-P249 WeakPolarHBondContact O-CD 3.05Å
250S52.3Low58.3Low45 Ų45121.6 Ų121.632%0.31563%0.626SS.*THydrogen-bonded Turntrans-108.7-1.4-175.971.70000116.1D248D248-S250 PolarHBondContact O-N 3.14Å
251E51Low58.1Low99 Ų99123.2 Ų123.246%0.46364%0.64SS.*SBendtrans-144.439.1179.3-66.6-166.1-178.900112.8R246 D248 K332R246-E251 IonicContact CZ-OE2 3.87Å; R246-E251 IonicContact NH1-OE2 3.58Å; R246-E251 PolarHBondContact NH1-OE2 3.26Å; D248-E251 PolarHBondContact O-N 3.26Å; E251-K332 IonicContact OE1-NZ 3.91Å; E251-K332 PolarHBondContact OE1-NZ 2.92Å
252G42.3Very low58.6Low39 Ų39120 Ų12040%0.40261%0.606SS.*  trans-88.3-34-162.700000118.5
253T43Very low58.9Low106 Ų106112 Ų11265%0.6558%0.58SS**  trans-153.8136.7-166-24.90000113.9
254P44.8Very low59.8Low112 Ų112101.7 Ų101.773%0.72754%0.542SS*.SBendtrans-76.7136.9156.2-3.721.6000110.3
255S47.8Very low60.8Low101 Ų101103.8 Ų103.871%0.70653%0.534SS*.SBendtrans30.6104.7164.560.70000116.5
256Y37.4Very low62.1Low222 Ų22295.4 Ų95.487%0.87151%0.512SS*.SBend-1544.659.5-110.9-89.3000114.9
257L40.2Very low63.8Low154 Ų15488.8 Ų88.881%0.80649%0.488SS*.  trans-108.2100177.9-74.4176.2000111H259L257-H259 PolarHBondContact O-N 2.96Å; L257-H259 PolarHBondContact O-ND1 3.33Å; L257-H259 VanDerWaalsContact O-ND1 3.16Å
258E42.3Very low65.5Low171 Ų17184.1 Ų84.180%0.79947%0.469SS*.  trans-53.8103.2172-166.1-174.7160.900110.3A260E258-A260 HydrophobicContact CG-CB 3.91Å; E258-A260 PolarHBondContact O-N 3.26Å; E258-A260 WeakPolarHBondContact OE1-CB 3.19Å
259H53Low67.9Low140 Ų14084.8 Ų84.865%0.64848%0.476SS*.  trans-77.478.4158.7-70.453.2000105.4L257L257-H259 PolarHBondContact O-N 2.96Å; L257-H259 PolarHBondContact O-ND1 3.33Å; L257-H259 VanDerWaalsContact O-ND1 3.16Å
260A69.4Low69.8Low23 Ų2384.9 Ų84.919%0.1948%0.479CS..PPolyproline II helixtrans-55.5142.7-169.900000110.4E258 N286E258-A260 HydrophobicContact CG-CB 3.91Å; E258-A260 PolarHBondContact O-N 3.26Å; E258-A260 WeakPolarHBondContact OE1-CB 3.19Å; A260-N286 WeakPolarHBondContact CB-ND2 3.28Å; A260-N286 WeakPolarHBondContact O-CB 3.45Å; A260-N286 PolarHBondContact O-ND2 3.13Å
261T84.9Confident71.8Confident104 Ų10488.2 Ų88.264%0.63849%0.49SS*.PPolyproline II helixtrans-60.9135.6-172.650.90000110.3S263T261-S263 PolarHBondContact O-N 3.33Å; T261-S263 VanDerWaalsContact O-N 3.14Å
262P92Very high73.8Confident8 Ų884.2 Ų84.25%0.05247%0.474CS..PPolyproline II helixtrans-60.2121.7-178.525.1-34.2000109.9D285 F287 F288 L291 L327 F334 C335P262-D285 WeakPolarHBondContact CA-O 3.33Å; P262-F287 HydrophobicContact CB-CD1 4.29Å; P262-F288 HydrophobicContact CG-CE1 4.35Å; P262-L291 HydrophobicContact CB-CD2 4.31Å; P262-L327 HydrophobicContact CB-CD1 3.9Å; P262-F334 HydrophobicContact CG-CB 4.17Å; P262-F334 HydrophobicContact CG-CD1 3.9Å; P262-F334 HydrophobicContact CG-CD2 3.77Å; P262-F334 HydrophobicContact CG-CE1 4.2Å; P262-F334 HydrophobicContact CG-CE2 4.08Å; P262-F334 HydrophobicContact CG-CG 3.68Å; P262-F334 HydrophobicContact CG-CZ 4.29Å; P262-C335 PolarHBondContact O-SG 3.26Å; P262-C335 VanDerWaalsContact O-SG 3.32Å
263S93.6Very high76.2Confident30 Ų3088.1 Ų88.121%0.2148%0.477CS..EExtended strand (participates in β ladder)trans-116.8144.2-169.168.80000110.5T261 G284 D285 F287T261-S263 PolarHBondContact O-N 3.33Å; T261-S263 VanDerWaalsContact O-N 3.14Å; S263-G284 VanDerWaalsContact O-CA 3.23Å; S263-G284 WeakPolarHBondContact O-CA 3.26Å; S263-D285 PolarHBondContact N-O 3.12Å; S263-D285 VanDerWaalsContact N-O 3.13Å; S263-D285 PolarHBondContact O-N 3.26Å; S263-D285 WeakPolarHBondContact OG-CB 3.45Å; S263-D285 PolarHBondContact OG-N 2.95Å; S263-D285 PolarHBondContact OG-OD2 3.01Å; S263-D285 VanDerWaalsContact OG-OD2 3.14Å; S263-F287 WeakPolarHBondContact O-CE1 3.21Å; S263-F287 VanDerWaalsContact O-CZ 3.29Å; S263-F287 WeakPolarHBondContact O-CZ 3.03Å
264I96.3Very high78.6Confident20 Ų2084.3 Ų84.310%0.10345%0.454CS..EExtended strand (participates in β ladder)trans-98.9127.4168.1-60.7173.2000107.9I267 I282 V325 L327 C335I264-I267 HydrophobicContact CG2-CD1 4.31Å; I264-I267 HydrophobicContact CG2-CG1 4Å; I264-I282 HydrophobicContact CB-CG2 4.47Å; I264-I282 HydrophobicContact CD1-CG2 4.36Å; I264-I282 HydrophobicContact CG1-CG2 3.94Å; I264-I282 HydrophobicContact CG2-CG2 3.94Å; I264-V325 HydrophobicContact CD1-CG1 4.25Å; I264-V325 VanDerWaalsContact CD1-O 3.28Å; I264-V325 WeakPolarHBondContact CD1-O 3.46Å; I264-L327 HydrophobicContact CD1-CD1 4.47Å; I264-L327 HydrophobicContact CD1-CD2 3.91Å; I264-L327 HydrophobicContact CD1-CG 3.94Å; I264-L327 HydrophobicContact CG1-CD1 3.91Å; I264-L327 HydrophobicContact CG1-CD2 4.03Å; I264-L327 HydrophobicContact CG1-CG 3.93Å; I264-C335 HydrophobicContact CD1-CB 4.4Å; I264-C335 PolarHBondContact N-SG 3.46Å
265K95Very high80.9Confident142 Ų14283.6 Ų83.662%0.61745%0.448SS*.EExtended strand (participates in β ladder)trans-104.1-41.5172.4-75.6172.9167163.50112I283 D285K265-I283 PolarHBondContact N-O 3Å; K265-D285 WeakPolarHBondContact CE-OD2 3.15Å; K265-D285 IonicContact NZ-OD1 3.98Å; K265-D285 PolarHBondContact NZ-OD1 3.44Å; K265-D285 IonicContact NZ-OD2 3.82Å; K265-D285 PolarHBondContact NZ-OD2 3.05Å
266A95.6Very high83Confident46 Ų4679.4 Ų79.438%0.3842%0.42SS..EExtended strand (participates in β ladder)trans-152.7162.9179.900000111.8I283A266-I283 HydrophobicContact CB-CB 4.35Å; A266-I283 PolarHBondContact N-O 3.03Å; A266-I283 PolarHBondContact O-N 3.13Å
267I97.1Very high85.6Confident16 Ų1671.7 Ų71.78%0.08241%0.408CS..EExtended strand (participates in β ladder)trans-134.1127175.7-59.6-170000107.1I264 S270 V280 I282 V325 F342I264-I267 HydrophobicContact CG2-CD1 4.31Å; I264-I267 HydrophobicContact CG2-CG1 4Å; I267-S270 PolarHBondContact O-N 2.91Å; I267-V280 HydrophobicContact CG2-CG1 3.34Å; I267-I282 HydrophobicContact CD1-CD1 4.36Å; I267-I282 HydrophobicContact CD1-CG1 4.32Å; I267-I282 HydrophobicContact CG1-CG1 4.15Å; I267-I282 HydrophobicContact CG1-CG2 4.3Å; I267-I282 HydrophobicContact CG2-CG1 4.35Å; I267-V325 HydrophobicContact CD1-CB 3.51Å; I267-V325 HydrophobicContact CD1-CG1 3.75Å; I267-V325 HydrophobicContact CD1-CG2 3.68Å; I267-F342 HydrophobicContact CG2-CD2 4.19Å
268S95.9Very high88.1Confident69 Ų6966.1 Ų66.148%0.48339%0.385SS..EExtended strand (participates in β ladder)trans-139.6121.6-175-170.90000111.8I281S268-I281 PolarHBondContact N-O 2.64Å; S268-I281 PolarHBondContact O-N 2.78Å
269P96.6Very high90.7Very high70 Ų7061.3 Ų61.346%0.45537%0.367SS..SBendcis-59.7150.6-9.4-23.935.6000113.1E271 F342P269-E271 VanDerWaalsContact C-N 3.3Å; P269-F342 WeakPolarHBondContact O-CE2 3.45Å
270S95.4Very high92.8Very high66 Ų6654.7 Ų54.746%0.46234%0.336SS..SBendtrans-85.1-1.2175.954.80000113.7I267 F342 I343I267-S270 PolarHBondContact O-N 2.91Å; S270-F342 CarbonylContact O-C 3.53Å; S270-F342 VanDerWaalsContact O-CA 3.32Å; S270-F342 WeakPolarHBondContact O-CA 3.26Å; S270-I343 PolarHBondContact O-N 3.43Å
271E94Very high94.1Very high115 Ų11555.9 Ų55.954%0.53734%0.339SS..EExtended strand (participates in β ladder)trans-145.9162.6-178.962.8176.5-141.600112.1P269 I343P269-E271 VanDerWaalsContact C-N 3.3Å; E271-I343 CarbonylContact C-O 3.57Å; E271-I343 WeakPolarHBondContact CA-O 3.28Å; E271-I343 HydrophobicContact CB-CB 3.96Å
272G93.3Very high94.7Very high14 Ų1450.9 Ų50.914%0.14431%0.308CS..EExtended strand (participates in β ladder)trans178.4178.3176.200000113.5F342 I343 Y344 T345G272-F342 VanDerWaalsContact N-CZ 3.32Å; G272-I343 PolarHBondContact N-O 2.78Å; G272-Y344 CarbonylContact O-C 3.53Å; G272-Y344 WeakPolarHBondContact O-CA 3.39Å; G272-T345 PolarHBondContact O-N 3Å
273W93.1Very high94.9Very high121 Ų12154.1 Ų54.146%0.45832%0.324SS..EExtended strand (participates in β ladder)trans-76145.9-171.2-58.4116.2000114T275 G276 T345 L347W273-T275 WeakPolarHBondContact CB-OG1 3.24Å; W273-T275 PolarHBondContact O-N 3.12Å; W273-G276 PolarHBondContact O-N 2.67Å; W273-T345 WeakPolarHBondContact CA-O 3.43Å; W273-T345 HydrophobicContact CE3-CG2 4.46Å; W273-T345 HydrophobicContact CZ3-CG2 3.86Å; W273-L347 HydrophobicContact CD2-CD2 4.37Å; W273-L347 HydrophobicContact CD2-CG 4.21Å; W273-L347 HydrophobicContact CE3-CD1 4.5Å; W273-L347 HydrophobicContact CE3-CD2 3.93Å; W273-L347 HydrophobicContact CE3-CG 3.71Å; W273-L347 HydrophobicContact CH2-CD2 3.48Å; W273-L347 VanDerWaalsContact CH2-CD2 3.48Å; W273-L347 HydrophobicContact CH2-CG 4.22Å; W273-L347 HydrophobicContact CZ2-CD2 3.94Å; W273-L347 HydrophobicContact CZ3-CD2 3.46Å; W273-L347 VanDerWaalsContact CZ3-CD2 3.46Å; W273-L347 HydrophobicContact CZ3-CG 3.72Å
274T93.1Very high95Very high27 Ų2752.8 Ų52.817%0.16632%0.315CS..THydrogen-bonded Turntrans-53-19.9170.442.50000114.7G276 R317 P320 T345 A346T274-G276 PolarHBondContact O-N 2.64Å; T274-R317 WeakPolarHBondContact CA-O 3.14Å; T274-R317 WeakPolarHBondContact CB-O 3.48Å; T274-R317 WeakPolarHBondContact CG2-O 3.37Å; T274-R317 PolarHBondContact O-N 2.86Å; T274-R317 VanDerWaalsContact O-O 3.11Å; T274-P320 HydrophobicContact CG2-CB 4.39Å; T274-T345 PolarHBondContact N-O 2.9Å; T274-A346 HydrophobicContact CG2-CB 3.88Å
275T92.3Very high94.9Very high97 Ų9753.4 Ų53.460%0.59532%0.319SS*.THydrogen-bonded Turntrans-64.4-23.2172.956.10000113.9W273 P316W273-T275 WeakPolarHBondContact CB-OG1 3.24Å; W273-T275 PolarHBondContact O-N 3.12Å; T275-P316 WeakPolarHBondContact O-CB 3.38Å; T275-P316 WeakPolarHBondContact O-CG 3.41Å
276G91.8Very high94.7Very high13 Ų1349.4 Ų49.413%0.13430%0.304CS..  trans68.7-166.5-167.900000112.9W273 T274 A278 T314W273-G276 PolarHBondContact O-N 2.67Å; T274-G276 PolarHBondContact O-N 2.64Å; G276-A278 VanDerWaalsContact C-N 3.31Å; G276-A278 PolarHBondContact O-N 3.32Å; G276-T314 CarbonylContact C-O 3.55Å; G276-T314 VanDerWaalsContact CA-O 3.3Å; G276-T314 WeakPolarHBondContact CA-O 3.45Å; G276-T314 WeakPolarHBondContact CA-OG1 3.45Å
277G92.4Very high94.6Very high59 Ų5947.5 Ų47.561%0.60829%0.287SS*.  trans79.64.4178.300000115.3Q313 T314G277-Q313 PolarHBondContact O-OE1 2.88Å; G277-T314 PolarHBondContact N-O 2.96Å; G277-T314 PolarHBondContact N-OG1 2.89Å
278A93.7Very high94.4Very high38 Ų3849 Ų4931%0.31429%0.294SS..  trans-84.5134.717700000110.7G276 Q313 T314G276-A278 VanDerWaalsContact C-N 3.31Å; G276-A278 PolarHBondContact O-N 3.32Å; A278-Q313 VanDerWaalsContact C-OE1 3.29Å; A278-Q313 WeakPolarHBondContact O-CA 3.43Å; A278-Q313 PolarHBondContact O-OE1 2.96Å; A278-T314 HydrophobicContact CB-CG2 4.37Å; A278-T314 WeakPolarHBondContact CB-OG1 3.36Å; A278-T314 PolarHBondContact N-OG1 2.75Å; A278-T314 PolarHBondContact O-N 2.82Å; A278-T314 PolarHBondContact O-OG1 2.99Å
279T95.9Very high94.1Very high70 Ų7052 Ų5243%0.42930%0.304SS..EExtended strand (participates in β ladder)trans-79.5123177.8-56.20000110.5R311 Q313T279-R311 HydrophobicContact CG2-CG 3.77Å; T279-Q313 VanDerWaalsContact OG1-CD 3.26Å; T279-Q313 PolarHBondContact OG1-NE2 3.35Å; T279-Q313 PolarHBondContact OG1-OE1 2.77Å
280V96.9Very high93.8Very high1 Ų150.2 Ų50.21%0.00630%0.299CS..EExtended strand (participates in β ladder)trans-122.8136.2-178.2170.80000109.2I267 I282 V312 T314 F342I267-V280 HydrophobicContact CG2-CG1 3.34Å; V280-I282 HydrophobicContact CG1-CG1 4.44Å; V280-V312 PolarHBondContact N-O 2.97Å; V280-V312 PolarHBondContact O-N 2.99Å; V280-T314 HydrophobicContact CB-CG2 4.47Å; V280-T314 HydrophobicContact CG2-CG2 3.54Å; V280-F342 HydrophobicContact CG2-CD2 4.45Å; V280-F342 HydrophobicContact CG2-CE2 3.73Å; V280-F342 HydrophobicContact CG2-CZ 4.35Å
281I97.3Very high93.7Very high47 Ų4747.2 Ų47.224%0.24128%0.277CS..EExtended strand (participates in β ladder)trans-101.1123171.4-52.8-53000108.5S268 I283 I305 A309 I310 R311S268-I281 PolarHBondContact N-O 2.64Å; S268-I281 PolarHBondContact O-N 2.78Å; I281-I283 HydrophobicContact CG2-CG1 4.16Å; I281-I305 HydrophobicContact CD1-CD1 3.88Å; I281-A309 HydrophobicContact CG2-CB 4.2Å; I281-I310 WeakPolarHBondContact CA-O 3.46Å; I281-R311 HydrophobicContact CD1-CB 3.83Å; I281-R311 HydrophobicContact CD1-CG 4.04Å
282I97.3Very high93.7Very high0 Ų043.5 Ų43.50%026%0.26CS..EExtended strand (participates in β ladder)trans-95.7127.7170.6-58.9-178.7000107.4I264 I267 V280 F287 V293 A309 I310 V312 V325I264-I282 HydrophobicContact CB-CG2 4.47Å; I264-I282 HydrophobicContact CD1-CG2 4.36Å; I264-I282 HydrophobicContact CG1-CG2 3.94Å; I264-I282 HydrophobicContact CG2-CG2 3.94Å; I267-I282 HydrophobicContact CD1-CD1 4.36Å; I267-I282 HydrophobicContact CD1-CG1 4.32Å; I267-I282 HydrophobicContact CG1-CG1 4.15Å; I267-I282 HydrophobicContact CG1-CG2 4.3Å; I267-I282 HydrophobicContact CG2-CG1 4.35Å; V280-I282 HydrophobicContact CG1-CG1 4.44Å; I282-F287 HydrophobicContact CG2-CE2 4.49Å; I282-F287 HydrophobicContact CG2-CZ 4.1Å; I282-F287 WeakPolarHBondContact O-CE2 3.44Å; I282-V293 HydrophobicContact CD1-CB 4.44Å; I282-V293 HydrophobicContact CD1-CG1 3.58Å; I282-V293 HydrophobicContact CD1-CG2 3.97Å; I282-A309 WeakPolarHBondContact O-CA 3.29Å; I282-I310 HydrophobicContact CB-CD1 4.26Å; I282-I310 HydrophobicContact CB-CG1 3.77Å; I282-I310 HydrophobicContact CG2-CG1 4.41Å; I282-I310 PolarHBondContact N-O 2.84Å; I282-I310 PolarHBondContact O-N 3.31Å; I282-V312 HydrophobicContact CD1-CG2 3.96Å; I282-V312 HydrophobicContact CG1-CG2 4.25Å; I282-V325 HydrophobicContact CD1-CG1 3.76Å
283I97.1Very high93.9Very high76 Ų7642.8 Ų42.839%0.3925%0.253SS..EExtended strand (participates in β ladder)trans-110.4137.3-177.7-56.5174.6000108.4K265 A266 I281 H308K265-I283 PolarHBondContact N-O 3Å; A266-I283 HydrophobicContact CB-CB 4.35Å; A266-I283 PolarHBondContact N-O 3.03Å; A266-I283 PolarHBondContact O-N 3.13Å; I281-I283 HydrophobicContact CG2-CG1 4.16Å; I283-H308 WeakPolarHBondContact CA-O 3.23Å
284G95.3Very high94Very high2 Ų237.9 Ų37.92%0.02124%0.235CC..EExtended strand (participates in β ladder)trans-178.8-147.3-172.200000112.8S263 H308S263-G284 VanDerWaalsContact O-CA 3.23Å; S263-G284 WeakPolarHBondContact O-CA 3.26Å; G284-H308 PolarHBondContact N-O 3.34Å; G284-H308 VanDerWaalsContact O-CA 3.26Å; G284-H308 WeakPolarHBondContact O-CA 3.32Å; G284-H308 VanDerWaalsContact O-CB 3.28Å; G284-H308 WeakPolarHBondContact O-CB 3.45Å; G284-H308 PolarHBondContact O-ND1 2.83Å
285D93.3Very high94.1Very high32 Ų3237 Ų3717%0.17123%0.229CC..EExtended strand (participates in β ladder)trans-136.8157.1175.5-47.6-60.3000112P262 S263 K265 F287 P307 H308P262-D285 WeakPolarHBondContact CA-O 3.33Å; S263-D285 PolarHBondContact N-O 3.12Å; S263-D285 VanDerWaalsContact N-O 3.13Å; S263-D285 PolarHBondContact O-N 3.26Å; S263-D285 WeakPolarHBondContact OG-CB 3.45Å; S263-D285 PolarHBondContact OG-N 2.95Å; S263-D285 PolarHBondContact OG-OD2 3.01Å; S263-D285 VanDerWaalsContact OG-OD2 3.14Å; K265-D285 WeakPolarHBondContact CE-OD2 3.15Å; K265-D285 IonicContact NZ-OD1 3.98Å; K265-D285 PolarHBondContact NZ-OD1 3.44Å; K265-D285 IonicContact NZ-OD2 3.82Å; K265-D285 PolarHBondContact NZ-OD2 3.05Å; D285-F287 VanDerWaalsContact C-N 3.28Å; D285-F287 PolarHBondContact O-N 2.91Å; D285-P307 CarbonylContact C-O 3.53Å; D285-H308 IonicContact OD1-CE1 3.38Å; D285-H308 PolarHBondContact OD1-CE1 3.48Å; D285-H308 IonicContact OD1-ND1 2.91Å; D285-H308 PolarHBondContact OD1-ND1 2.89Å
286N91.5Very high94.1Very high58 Ų5834.2 Ų34.231%0.3122%0.22SC..  trans6033171.3-42.2-67.9000114.2A260 F288 P307A260-N286 WeakPolarHBondContact CB-ND2 3.28Å; A260-N286 WeakPolarHBondContact O-CB 3.45Å; A260-N286 PolarHBondContact O-ND2 3.13Å; N286-F288 WeakPolarHBondContact O-CD1 3.45Å; N286-P307 PolarHBondContact N-O 3.02Å
287F94.1Very high94Very high6 Ų640 Ų403%0.02625%0.253CS..  trans-72.8146.5170.2-55.8-27.3000111.1P262 S263 I282 D285 L291 L304 P307 I310 L327P262-F287 HydrophobicContact CB-CD1 4.29Å; S263-F287 WeakPolarHBondContact O-CE1 3.21Å; S263-F287 VanDerWaalsContact O-CZ 3.29Å; S263-F287 WeakPolarHBondContact O-CZ 3.03Å; I282-F287 HydrophobicContact CG2-CE2 4.49Å; I282-F287 HydrophobicContact CG2-CZ 4.1Å; I282-F287 WeakPolarHBondContact O-CE2 3.44Å; D285-F287 VanDerWaalsContact C-N 3.28Å; D285-F287 PolarHBondContact O-N 2.91Å; F287-L291 HydrophobicContact CB-CD2 4.14Å; F287-L291 HydrophobicContact CD1-CD2 3.71Å; F287-L291 HydrophobicContact CG-CD2 4.2Å; F287-L304 HydrophobicContact CB-CD1 3.66Å; F287-P307 PolarHBondContact N-O 2.87Å; F287-P307 WeakPolarHBondContact O-CA 3.28Å; F287-I310 HydrophobicContact CB-CG2 3.73Å; F287-I310 HydrophobicContact CD2-CB 4.3Å; F287-I310 HydrophobicContact CD2-CD1 4.36Å; F287-I310 HydrophobicContact CD2-CG1 4.08Å; F287-I310 HydrophobicContact CD2-CG2 3.69Å; F287-I310 HydrophobicContact CE2-CD1 4.35Å; F287-I310 HydrophobicContact CE2-CG1 4.05Å; F287-I310 HydrophobicContact CG-CD1 4.47Å; F287-I310 HydrophobicContact CG-CG2 3.85Å; F287-I310 HydrophobicContact CZ-CD1 4.44Å; F287-L327 HydrophobicContact CD1-CD1 4.25Å; F287-L327 HydrophobicContact CE1-CD1 3.66Å
288F92.7Very high94.1Very high49 Ų4941.3 Ų41.322%0.21524%0.244CC..  trans-148.7165.8-177.456-96.1000110.5P262 N286 L291 Y329P262-F288 HydrophobicContact CG-CE1 4.35Å; N286-F288 WeakPolarHBondContact O-CD1 3.45Å; F288-L291 HydrophobicContact CE1-CD1 4.39Å; F288-L291 HydrophobicContact CE2-CB 4.42Å; F288-L291 HydrophobicContact CE2-CD1 4.45Å; F288-L291 HydrophobicContact CZ-CD1 4.01Å; F288-L291 WeakPolarHBondContact O-CB 3.3Å; F288-L291 PolarHBondContact O-N 3.02Å; F288-Y329 HydrophobicContact CD2-CE2 4.48Å; F288-Y329 AromaticContact CE2-CD1 3.88Å; F288-Y329 HydrophobicContact CE2-CD1 3.88Å; F288-Y329 AromaticContact CE2-CD2 3.62Å; F288-Y329 HydrophobicContact CE2-CD2 3.62Å; F288-Y329 HydrophobicContact CE2-CE1 4.02Å; F288-Y329 AromaticContact CE2-CE2 3.76Å; F288-Y329 HydrophobicContact CE2-CE2 3.76Å; F288-Y329 AromaticContact CE2-CG 3.66Å; F288-Y329 HydrophobicContact CE2-CG 3.66Å; F288-Y329 AromaticContact CE2-CZ 3.94Å; F288-Y329 HydrophobicContact CZ-CD1 4.02Å; F288-Y329 HydrophobicContact CZ-CD2 4.31Å; F288-Y329 HydrophobicContact CZ-CE1 4.49Å; F288-Y329 AromaticContact CZ-CG 3.9Å; F288-Y329 HydrophobicContact CZ-CG 3.9Å
289D89.9Confident94Very high131 Ų13143.6 Ų43.670%0.70125%0.251SS*.THydrogen-bonded Turntrans-66.8142.9-174.5-174.229.7000112.9L291D289-L291 VanDerWaalsContact C-N 3.26Å; D289-L291 PolarHBondContact O-N 3.45Å
290G89Confident94Very high33 Ų3341.3 Ų41.334%0.3424%0.237SC..THydrogen-bonded Turntrans74.26-172.700000115.4Y329G290-Y329 WeakPolarHBondContact O-CD2 3.48Å
291L93.6Very high93.7Very high2 Ų250.3 Ų50.31%0.0127%0.271CS..  trans-65.6132.6169.3-173.365.7000110.1P262 F287 F288 D289 S302 I310 L327P262-L291 HydrophobicContact CB-CD2 4.31Å; F287-L291 HydrophobicContact CB-CD2 4.14Å; F287-L291 HydrophobicContact CD1-CD2 3.71Å; F287-L291 HydrophobicContact CG-CD2 4.2Å; F288-L291 HydrophobicContact CE1-CD1 4.39Å; F288-L291 HydrophobicContact CE2-CB 4.42Å; F288-L291 HydrophobicContact CE2-CD1 4.45Å; F288-L291 HydrophobicContact CZ-CD1 4.01Å; F288-L291 WeakPolarHBondContact O-CB 3.3Å; F288-L291 PolarHBondContact O-N 3.02Å; D289-L291 VanDerWaalsContact C-N 3.26Å; D289-L291 PolarHBondContact O-N 3.45Å; L291-S302 PolarHBondContact O-OG 2.91Å; L291-I310 HydrophobicContact CD2-CD1 4.41Å; L291-L327 HydrophobicContact CD1-CB 4.25Å; L291-L327 HydrophobicContact CD2-CD1 4.38Å
292Q94.6Very high93.6Very high37 Ų3749 Ų4917%0.17327%0.266CS..EExtended strand (participates in β ladder)trans-106.5153.7-179.3-62.9172.2-41.300110.2L299 W301 L327 S328Q292-L299 HydrophobicContact CB-CD1 4.33Å; Q292-L299 HydrophobicContact CB-CD2 4.24Å; Q292-L299 HydrophobicContact CB-CG 4.27Å; Q292-L299 HydrophobicContact CG-CD2 4.29Å; Q292-W301 HydrophobicContact CG-CE3 4.37Å; Q292-W301 HydrophobicContact CG-CZ3 4.4Å; Q292-L327 CarbonylContact O-C 3.55Å; Q292-L327 WeakPolarHBondContact O-CA 3.42Å; Q292-S328 WeakPolarHBondContact CB-O 3.45Å; Q292-S328 PolarHBondContact N-O 2.78Å; Q292-S328 PolarHBondContact O-N 2.89Å
293V96.3Very high93.5Very high0 Ų053.7 Ų53.70%029%0.288CS..EExtended strand (participates in β ladder)trans-119.3138.4-179.1171.90000108.7I282 F295 L299 V300 I310 V312 V325 L327I282-V293 HydrophobicContact CD1-CB 4.44Å; I282-V293 HydrophobicContact CD1-CG1 3.58Å; I282-V293 HydrophobicContact CD1-CG2 3.97Å; V293-F295 HydrophobicContact CG1-CD2 3.94Å; V293-F295 HydrophobicContact CG1-CE2 3.65Å; V293-L299 CarbonylContact O-C 3.53Å; V293-V300 PolarHBondContact N-O 2.78Å; V293-V300 PolarHBondContact O-N 3.27Å; V293-I310 HydrophobicContact CG2-CD1 3.54Å; V293-V312 HydrophobicContact CB-CG1 4.28Å; V293-V312 HydrophobicContact CB-CG2 4.25Å; V293-V312 HydrophobicContact CG1-CG1 4.35Å; V293-V312 HydrophobicContact CG1-CG2 4.34Å; V293-V312 HydrophobicContact CG2-CG2 3.89Å; V293-V325 HydrophobicContact CG1-CG1 3.68Å; V293-L327 HydrophobicContact CG2-CD2 3.87Å
294I96.1Very high93.5Very high18 Ų1853.3 Ų53.39%0.09229%0.286CS..EExtended strand (participates in β ladder)trans-119.2117.4179.9-58.3174.1000108.8G296 M298 L299 V325 T326 Q333I294-G296 WeakPolarHBondContact CG2-O 3.46Å; I294-M298 CarbonylContact C-O 3.59Å; I294-M298 WeakPolarHBondContact CA-O 3.29Å; I294-L299 HydrophobicContact CD1-CD1 4.49Å; I294-L299 HydrophobicContact CG1-CB 4.27Å; I294-L299 HydrophobicContact CG1-CD1 4.32Å; I294-L299 HydrophobicContact CG1-CG 4.26Å; I294-V325 WeakPolarHBondContact O-CA 3.32Å; I294-T326 PolarHBondContact N-O 2.87Å; I294-T326 PolarHBondContact O-N 2.89Å; I294-Q333 HydrophobicContact CD1-CG 4.29Å
295F95.7Very high93.5Very high7 Ų757.8 Ų57.83%0.03131%0.308CS..EExtended strand (participates in β ladder)trans-90.495.2169.7-76.6-104.4000108.4V293 T297 M298 V300 V312 T314 P315 V323 V325 F342 Y344V293-F295 HydrophobicContact CG1-CD2 3.94Å; V293-F295 HydrophobicContact CG1-CE2 3.65Å; F295-T297 PolarHBondContact O-N 2.93Å; F295-M298 PolarHBondContact N-O 3.15Å; F295-M298 PolarHBondContact O-N 3.11Å; F295-V300 HydrophobicContact CD2-CG2 3.85Å; F295-V300 HydrophobicContact CE2-CG2 4.36Å; F295-V312 HydrophobicContact CE2-CG1 3.9Å; F295-T314 HydrophobicContact CE1-CG2 4.22Å; F295-T314 HydrophobicContact CZ-CG2 4.33Å; F295-P315 HydrophobicContact CB-CG 3.82Å; F295-P315 HydrophobicContact CD2-CG 4.27Å; F295-P315 HydrophobicContact CG-CG 4.09Å; F295-V323 VanDerWaalsContact C-CG1 3.49Å; F295-V323 HydrophobicContact CB-CG1 4.07Å; F295-V325 HydrophobicContact CD1-CG2 3.78Å; F295-V325 HydrophobicContact CE1-CG2 3.86Å; F295-V325 HydrophobicContact CE2-CG1 4.49Å; F295-V325 HydrophobicContact CG-CG2 4.3Å; F295-V325 HydrophobicContact CZ-CG2 4.45Å; F295-F342 HydrophobicContact CD1-CB 4.29Å; F295-F342 HydrophobicContact CD1-CD1 4.26Å; F295-F342 HydrophobicContact CD1-CG 4.33Å; F295-F342 HydrophobicContact CE1-CB 3.98Å; F295-F342 HydrophobicContact CE1-CD1 4.01Å; F295-F342 HydrophobicContact CE1-CD2 4.23Å; F295-F342 AromaticContact CE1-CG 3.79Å; F295-F342 HydrophobicContact CE1-CG 3.79Å; F295-Y344 HydrophobicContact CD1-CE2 4.39Å
296G91.7Very high93.5Very high39 Ų3959.1 Ų59.140%0.40232%0.318SS..THydrogen-bonded Turntrans67.2-88-175.200000111.6I294 V323 E324I294-G296 WeakPolarHBondContact CG2-O 3.46Å; G296-V323 VanDerWaalsContact N-CG1 3.28Å; G296-E324 WeakPolarHBondContact CA-O 3.43Å; G296-E324 PolarHBondContact N-O 3.29Å
297T90.2Very high93.6Very high136 Ų13659.8 Ų59.883%0.83433%0.325SS*.THydrogen-bonded Turntrans-118.5-11.6175.354.40000113.4F295F295-T297 PolarHBondContact O-N 2.93Å
298M93.4Very high93.6Very high86 Ų8664 Ų6442%0.42435%0.345SS..EExtended strand (participates in β ladder)trans-90.1117.4-177.2-67.1-167.573.100111.1I294 F295 P315I294-M298 CarbonylContact C-O 3.59Å; I294-M298 WeakPolarHBondContact CA-O 3.29Å; F295-M298 PolarHBondContact N-O 3.15Å; F295-M298 PolarHBondContact O-N 3.11Å; M298-P315 HydrophobicContact CB-CB 4.21Å; M298-P315 HydrophobicContact CB-CG 4.01Å; M298-P315 HydrophobicContact CE-CB 3.9Å; M298-P315 HydrophobicContact SD-CB 4.01Å; M298-P315 HydrophobicContact SD-CG 4.45Å
299L93.1Very high93.8Very high85 Ų8562.5 Ų62.545%0.44534%0.341SS..EExtended strand (participates in β ladder)trans-81.2137.5176.2-171.4149.3000111Q292 V293 I294Q292-L299 HydrophobicContact CB-CD1 4.33Å; Q292-L299 HydrophobicContact CB-CD2 4.24Å; Q292-L299 HydrophobicContact CB-CG 4.27Å; Q292-L299 HydrophobicContact CG-CD2 4.29Å; V293-L299 CarbonylContact O-C 3.53Å; I294-L299 HydrophobicContact CD1-CD1 4.49Å; I294-L299 HydrophobicContact CG1-CB 4.27Å; I294-L299 HydrophobicContact CG1-CD1 4.32Å; I294-L299 HydrophobicContact CG1-CG 4.26Å
300V95.1Very high94.2Very high23 Ų2356.3 Ų56.314%0.13931%0.308CS..EExtended strand (participates in β ladder)trans-132.2143.7-179.6-160.10000109.5V293 F295 V312 Q313 P315V293-V300 PolarHBondContact N-O 2.78Å; V293-V300 PolarHBondContact O-N 3.27Å; F295-V300 HydrophobicContact CD2-CG2 3.85Å; F295-V300 HydrophobicContact CE2-CG2 4.36Å; V300-V312 HydrophobicContact CB-CG1 3.84Å; V300-V312 HydrophobicContact CG1-CG1 3.6Å; V300-V312 HydrophobicContact CG2-CG1 4.47Å; V300-Q313 WeakPolarHBondContact CG1-O 3.18Å; V300-P315 HydrophobicContact CG2-CB 4.36Å; V300-P315 HydrophobicContact CG2-CG 3.92Å
301W91.1Very high94.5Very high190 Ų19059.5 Ų59.572%0.7231%0.31SS*.EExtended strand (participates in β ladder)trans-69134.9168-61100.8000110.1Q292Q292-W301 HydrophobicContact CG-CE3 4.37Å; Q292-W301 HydrophobicContact CG-CZ3 4.4Å
302S94.2Very high94.7Very high19 Ų1959.5 Ų59.513%0.13331%0.31CS..  trans-109.8152.617087.10000110.8L291 R311L291-S302 PolarHBondContact O-OG 2.91Å; S302-R311 WeakPolarHBondContact CA-O 3.47Å
303E96Very high94.8Very high99 Ų9961.9 Ų61.946%0.46332%0.321SS..EExtended strand (participates in β ladder)trans-115124.3178.9-179.6-172176.800108.5I305 I310 R311E303-I305 PolarHBondContact O-N 2.8Å; E303-I310 CarbonylContact O-C 3.6Å; E303-I310 WeakPolarHBondContact O-CA 3.32Å; E303-R311 HydrophobicContact CB-CB 4.32Å; E303-R311 PolarHBondContact N-O 2.84Å; E303-R311 PolarHBondContact O-N 2.84Å; E303-R311 IonicContact OE1-CZ 2.67Å; E303-R311 IonicContact OE1-NE 3.63Å; E303-R311 IonicContact OE1-NH2 2.68Å; E303-R311 PolarHBondContact OE1-NH2 3.34Å; E303-R311 IonicContact OE2-CZ 3.57Å; E303-R311 IonicContact OE2-NE 2.7Å; E303-R311 PolarHBondContact OE2-NE 3.49Å; E303-R311 IonicContact OE2-NH2 2.7Å; E303-R311 PolarHBondContact OE2-NH2 2.8Å
304L95.8Very high94.8Very high67 Ų6762 Ų6235%0.35132%0.322SS..EExtended strand (participates in β ladder)trans-75.4115.3-177.2-171.372.6000110.9F287 T306 I310F287-L304 HydrophobicContact CB-CD1 3.66Å; L304-T306 WeakPolarHBondContact CD1-O 3.49Å; L304-I310 HydrophobicContact CD1-CG2 3.85Å
305I95.2Very high94.8Very high97 Ų9761.8 Ų61.850%0.49732%0.322SS..EExtended strand (participates in β ladder)trans-87.6-51.3167.6-49.8179.7000109I281 E303 A309 R311I281-I305 HydrophobicContact CD1-CD1 3.88Å; E303-I305 PolarHBondContact O-N 2.8Å; I305-A309 HydrophobicContact CB-CB 4.38Å; I305-A309 WeakPolarHBondContact CB-O 3.41Å; I305-A309 PolarHBondContact N-O 3.04Å; I305-R311 HydrophobicContact CD1-CB 4.12Å; I305-R311 HydrophobicContact CG1-CB 4.27Å
306T94Very high94.7Very high59 Ų5965.6 Ų65.636%0.36235%0.347SS..EExtended strand (participates in β ladder)trans-148167.6176.775.10000110L304 H308 A309L304-T306 WeakPolarHBondContact CD1-O 3.49Å; T306-H308 PolarHBondContact O-N 3.21Å; T306-H308 PolarHBondContact OG1-N 2.63Å; T306-H308 VanDerWaalsContact OG1-N 3.12Å; T306-A309 PolarHBondContact N-O 3.44Å; T306-A309 CarbonylContact O-C 3.55Å; T306-A309 PolarHBondContact O-N 2.86Å; T306-A309 PolarHBondContact OG1-N 2.93Å; T306-A309 VanDerWaalsContact OG1-N 3.13Å
307P93.2Very high94.7Very high72 Ų7267.4 Ų67.447%0.46834%0.342SS..THydrogen-bonded Turntrans-57.5-7.4170.5-26.236.5000115.7D285 N286 F287D285-P307 CarbonylContact C-O 3.53Å; N286-P307 PolarHBondContact N-O 3.02Å; F287-P307 PolarHBondContact N-O 2.87Å; F287-P307 WeakPolarHBondContact O-CA 3.28Å
308H95.3Very high94.5Very high96 Ų9669.1 Ų69.144%0.44434%0.34SS..THydrogen-bonded Turntrans-117.7-2.5176.5-60.2-80.4000113.8I283 G284 D285 T306I283-H308 WeakPolarHBondContact CA-O 3.23Å; G284-H308 PolarHBondContact N-O 3.34Å; G284-H308 VanDerWaalsContact O-CA 3.26Å; G284-H308 WeakPolarHBondContact O-CA 3.32Å; G284-H308 VanDerWaalsContact O-CB 3.28Å; G284-H308 WeakPolarHBondContact O-CB 3.45Å; G284-H308 PolarHBondContact O-ND1 2.83Å; D285-H308 IonicContact OD1-CE1 3.38Å; D285-H308 PolarHBondContact OD1-CE1 3.48Å; D285-H308 IonicContact OD1-ND1 2.91Å; D285-H308 PolarHBondContact OD1-ND1 2.89Å; T306-H308 PolarHBondContact O-N 3.21Å; T306-H308 PolarHBondContact OG1-N 2.63Å; T306-H308 VanDerWaalsContact OG1-N 3.12Å
309A96.4Very high94.3Very high17 Ų1769.4 Ų69.414%0.1434%0.342CS..EExtended strand (participates in β ladder)trans-145.6124.8-178.800000113.1I281 I282 I305 T306I281-A309 HydrophobicContact CG2-CB 4.2Å; I282-A309 WeakPolarHBondContact O-CA 3.29Å; I305-A309 HydrophobicContact CB-CB 4.38Å; I305-A309 WeakPolarHBondContact CB-O 3.41Å; I305-A309 PolarHBondContact N-O 3.04Å; T306-A309 PolarHBondContact N-O 3.44Å; T306-A309 CarbonylContact O-C 3.55Å; T306-A309 PolarHBondContact O-N 2.86Å; T306-A309 PolarHBondContact OG1-N 2.93Å; T306-A309 VanDerWaalsContact OG1-N 3.13Å
310I97.4Very high94.2Very high0 Ų068.5 Ų68.50%034%0.342CS..EExtended strand (participates in β ladder)trans-118.5140.7171.157.1-174.6000110.7I281 I282 F287 L291 V293 E303 L304 V312 L327I281-I310 WeakPolarHBondContact CA-O 3.46Å; I282-I310 HydrophobicContact CB-CD1 4.26Å; I282-I310 HydrophobicContact CB-CG1 3.77Å; I282-I310 HydrophobicContact CG2-CG1 4.41Å; I282-I310 PolarHBondContact N-O 2.84Å; I282-I310 PolarHBondContact O-N 3.31Å; F287-I310 HydrophobicContact CB-CG2 3.73Å; F287-I310 HydrophobicContact CD2-CB 4.3Å; F287-I310 HydrophobicContact CD2-CD1 4.36Å; F287-I310 HydrophobicContact CD2-CG1 4.08Å; F287-I310 HydrophobicContact CD2-CG2 3.69Å; F287-I310 HydrophobicContact CE2-CD1 4.35Å; F287-I310 HydrophobicContact CE2-CG1 4.05Å; F287-I310 HydrophobicContact CG-CD1 4.47Å; F287-I310 HydrophobicContact CG-CG2 3.85Å; F287-I310 HydrophobicContact CZ-CD1 4.44Å; L291-I310 HydrophobicContact CD2-CD1 4.41Å; V293-I310 HydrophobicContact CG2-CD1 3.54Å; E303-I310 CarbonylContact O-C 3.6Å; E303-I310 WeakPolarHBondContact O-CA 3.32Å; L304-I310 HydrophobicContact CD1-CG2 3.85Å; I310-V312 HydrophobicContact CG1-CG2 4.5Å; I310-L327 HydrophobicContact CD1-CD2 4.05Å
311R97.3Very high94.1Very high100 Ų10069 Ų6938%0.37735%0.351SS..EExtended strand (participates in β ladder)trans-92.8138.5173.1176.7161.969.6-177.80.8110.3T279 I281 S302 E303 I305T279-R311 HydrophobicContact CG2-CG 3.77Å; I281-R311 HydrophobicContact CD1-CB 3.83Å; I281-R311 HydrophobicContact CD1-CG 4.04Å; S302-R311 WeakPolarHBondContact CA-O 3.47Å; E303-R311 HydrophobicContact CB-CB 4.32Å; E303-R311 PolarHBondContact N-O 2.84Å; E303-R311 PolarHBondContact O-N 2.84Å; E303-R311 IonicContact OE1-CZ 2.67Å; E303-R311 IonicContact OE1-NE 3.63Å; E303-R311 IonicContact OE1-NH2 2.68Å; E303-R311 PolarHBondContact OE1-NH2 3.34Å; E303-R311 IonicContact OE2-CZ 3.57Å; E303-R311 IonicContact OE2-NE 2.7Å; E303-R311 PolarHBondContact OE2-NE 3.49Å; E303-R311 IonicContact OE2-NH2 2.7Å; E303-R311 PolarHBondContact OE2-NH2 2.8Å; I305-R311 HydrophobicContact CD1-CB 4.12Å; I305-R311 HydrophobicContact CG1-CB 4.27Å
312V97Very high94.2Very high3 Ų363.9 Ų63.92%0.01834%0.341CS..EExtended strand (participates in β ladder)trans-141.2153.3179.8-159.40000109.4V280 I282 V293 F295 V300 I310V280-V312 PolarHBondContact N-O 2.97Å; V280-V312 PolarHBondContact O-N 2.99Å; I282-V312 HydrophobicContact CD1-CG2 3.96Å; I282-V312 HydrophobicContact CG1-CG2 4.25Å; V293-V312 HydrophobicContact CB-CG1 4.28Å; V293-V312 HydrophobicContact CB-CG2 4.25Å; V293-V312 HydrophobicContact CG1-CG1 4.35Å; V293-V312 HydrophobicContact CG1-CG2 4.34Å; V293-V312 HydrophobicContact CG2-CG2 3.89Å; F295-V312 HydrophobicContact CE2-CG1 3.9Å; V300-V312 HydrophobicContact CB-CG1 3.84Å; V300-V312 HydrophobicContact CG1-CG1 3.6Å; V300-V312 HydrophobicContact CG2-CG1 4.47Å; I310-V312 HydrophobicContact CG1-CG2 4.5Å
313Q96.6Very high94.3Very high86 Ų8663.3 Ų63.340%0.40234%0.336SS..EExtended strand (participates in β ladder)trans-103.7133.5167.4-59.5-64.2-4.200109.4G277 A278 T279 V300G277-Q313 PolarHBondContact O-OE1 2.88Å; A278-Q313 VanDerWaalsContact C-OE1 3.29Å; A278-Q313 WeakPolarHBondContact O-CA 3.43Å; A278-Q313 PolarHBondContact O-OE1 2.96Å; T279-Q313 VanDerWaalsContact OG1-CD 3.26Å; T279-Q313 PolarHBondContact OG1-NE2 3.35Å; T279-Q313 PolarHBondContact OG1-OE1 2.77Å; V300-Q313 WeakPolarHBondContact CG1-O 3.18Å
314T96.3Very high94.3Very high4 Ų463.5 Ų63.53%0.02534%0.337CS..PPolyproline II helixtrans-66.2131.6-179.754.40000111.2G276 G277 A278 V280 F295 F342G276-T314 CarbonylContact C-O 3.55Å; G276-T314 VanDerWaalsContact CA-O 3.3Å; G276-T314 WeakPolarHBondContact CA-O 3.45Å; G276-T314 WeakPolarHBondContact CA-OG1 3.45Å; G277-T314 PolarHBondContact N-O 2.96Å; G277-T314 PolarHBondContact N-OG1 2.89Å; A278-T314 HydrophobicContact CB-CG2 4.37Å; A278-T314 WeakPolarHBondContact CB-OG1 3.36Å; A278-T314 PolarHBondContact N-OG1 2.75Å; A278-T314 PolarHBondContact O-N 2.82Å; A278-T314 PolarHBondContact O-OG1 2.99Å; V280-T314 HydrophobicContact CB-CG2 4.47Å; V280-T314 HydrophobicContact CG2-CG2 3.54Å; F295-T314 HydrophobicContact CE1-CG2 4.22Å; F295-T314 HydrophobicContact CZ-CG2 4.33Å; T314-F342 HydrophobicContact CG2-CE1 3.91Å; T314-F342 HydrophobicContact CG2-CE2 4.03Å; T314-F342 HydrophobicContact CG2-CZ 3.53Å
315P96.1Very high94.4Very high13 Ų1360.3 Ų60.38%0.08432%0.32CS..PPolyproline II helixtrans-72149.8174.527-30.6000110.4F295 M298 V300 Y344F295-P315 HydrophobicContact CB-CG 3.82Å; F295-P315 HydrophobicContact CD2-CG 4.27Å; F295-P315 HydrophobicContact CG-CG 4.09Å; M298-P315 HydrophobicContact CB-CB 4.21Å; M298-P315 HydrophobicContact CB-CG 4.01Å; M298-P315 HydrophobicContact CE-CB 3.9Å; M298-P315 HydrophobicContact SD-CB 4.01Å; M298-P315 HydrophobicContact SD-CG 4.45Å; V300-P315 HydrophobicContact CG2-CB 4.36Å; V300-P315 HydrophobicContact CG2-CG 3.92Å; P315-Y344 VanDerWaalsContact CD-OH 3.26Å; P315-Y344 WeakPolarHBondContact CD-OH 3.5Å; P315-Y344 WeakPolarHBondContact CG-OH 3.45Å; P315-Y344 WeakPolarHBondContact O-CE1 3.44Å; P315-Y344 PolarHBondContact O-OH 2.96Å
316P94.3Very high94.4Very high86 Ų8656 Ų5656%0.55830%0.299SS*.PPolyproline II helixtrans-62.2138.9171.9-20.232000111.5T275T275-P316 WeakPolarHBondContact O-CB 3.38Å; T275-P316 WeakPolarHBondContact O-CG 3.41Å
317R92Very high94.5Very high77 Ų7753.2 Ų53.229%0.29128%0.281SS..  trans-143.7120.4-178.5-170.1-175.8-170.9-122.314110.8T274 I319 P320 Y344T274-R317 WeakPolarHBondContact CA-O 3.14Å; T274-R317 WeakPolarHBondContact CB-O 3.48Å; T274-R317 WeakPolarHBondContact CG2-O 3.37Å; T274-R317 PolarHBondContact O-N 2.86Å; T274-R317 VanDerWaalsContact O-O 3.11Å; R317-I319 VanDerWaalsContact C-N 3.32Å; R317-I319 WeakPolarHBondContact CD-O 3.33Å; R317-I319 PolarHBondContact NH1-O 3.06Å; R317-I319 PolarHBondContact O-N 3.35Å; R317-P320 PolarHBondContact NH1-O 2.67Å; R317-Y344 HydrophobicContact CB-CD1 3.98Å; R317-Y344 HydrophobicContact CB-CD2 4.42Å; R317-Y344 HydrophobicContact CB-CE1 3.81Å; R317-Y344 HydrophobicContact CB-CE2 4.3Å; R317-Y344 HydrophobicContact CB-CG 4.23Å
318H85.3Confident94.5Very high173 Ų17350.2 Ų50.280%0.80126%0.263SS*.SBendtrans-75.6-14.5-175.666.1-89.6000114.9
319I89.6Confident94.3Very high91 Ų9147.1 Ų47.147%0.46725%0.247SC..SBendtrans-106.2126.8178.1-43.6-177.5000109.2R317R317-I319 VanDerWaalsContact C-N 3.32Å; R317-I319 WeakPolarHBondContact CD-O 3.33Å; R317-I319 PolarHBondContact NH1-O 3.06Å; R317-I319 PolarHBondContact O-N 3.35Å
320P90.2Very high93.8Very high67 Ų6751.8 Ų51.844%0.43526%0.264SS..  trans-70.3177.9170.729.3-33.9000112.6T274 R317 Y344 A346T274-P320 HydrophobicContact CG2-CB 4.39Å; R317-P320 PolarHBondContact NH1-O 2.67Å; P320-Y344 CarbonylContact C-O 3.6Å; P320-Y344 WeakPolarHBondContact CA-O 3.44Å; P320-Y344 VanDerWaalsContact CB-O 3.26Å; P320-Y344 WeakPolarHBondContact CB-O 3.35Å; P320-A346 HydrophobicContact CB-CB 4.09Å; P320-A346 HydrophobicContact CG-CB 4.34Å
321G92.1Very high93Very high32 Ų3257.9 Ų57.933%0.3331%0.307SS..EExtended strand (participates in β ladder)trans98.7-175.8178.200000114.4Y344G321-Y344 PolarHBondContact N-O 2.79Å; G321-Y344 PolarHBondContact O-N 3.05Å
322V94.9Very high92.6Very high84 Ų8457 Ų5751%0.50931%0.305SS..EExtended strand (participates in β ladder)trans-71.1142.5-172.2-169.80000111.7R341 I343V322-R341 HydrophobicContact CG1-CB 4.28Å; V322-R341 HydrophobicContact CG1-CG 4.46Å; V322-I343 HydrophobicContact CG2-CG1 4.38Å
323V95.8Very high92.3Very high6 Ų660.3 Ų60.34%0.03632%0.321CS..EExtended strand (participates in β ladder)trans-128.3134.8174.5171.50000109.5F295 G296 R341 F342 Y344F295-V323 VanDerWaalsContact C-CG1 3.49Å; F295-V323 HydrophobicContact CB-CG1 4.07Å; G296-V323 VanDerWaalsContact N-CG1 3.28Å; V323-R341 WeakPolarHBondContact O-CA 3.38Å; V323-F342 PolarHBondContact N-O 3.27Å; V323-F342 PolarHBondContact O-N 2.91Å; V323-Y344 HydrophobicContact CB-CD2 4.24Å; V323-Y344 HydrophobicContact CB-CE2 4.24Å; V323-Y344 HydrophobicContact CG2-CD2 3.57Å; V323-Y344 HydrophobicContact CG2-CE2 3.81Å
324E96.1Very high92Very high103 Ų10358 Ų5848%0.48131%0.31SS..EExtended strand (participates in β ladder)trans-77.8132.1169.9-65.7-169.6154.800110.5G296 P339 G340G296-E324 WeakPolarHBondContact CA-O 3.43Å; G296-E324 PolarHBondContact N-O 3.29Å; E324-P339 HydrophobicContact CB-CB 3.86Å; E324-P339 HydrophobicContact CB-CG 4.12Å; E324-P339 HydrophobicContact CG-CB 4.24Å; E324-P339 HydrophobicContact CG-CG 3.93Å; E324-G340 CarbonylContact C-O 3.49Å; E324-G340 WeakPolarHBondContact CA-O 3.2Å
325V96.8Very high91.7Very high0 Ų058.6 Ų58.60%031%0.314CS..EExtended strand (participates in β ladder)trans-110.8125.9178.7-175.30000108.8I264 I267 I282 V293 I294 F295 P339 G340 F342I264-V325 HydrophobicContact CD1-CG1 4.25Å; I264-V325 VanDerWaalsContact CD1-O 3.28Å; I264-V325 WeakPolarHBondContact CD1-O 3.46Å; I267-V325 HydrophobicContact CD1-CB 3.51Å; I267-V325 HydrophobicContact CD1-CG1 3.75Å; I267-V325 HydrophobicContact CD1-CG2 3.68Å; I282-V325 HydrophobicContact CD1-CG1 3.76Å; V293-V325 HydrophobicContact CG1-CG1 3.68Å; I294-V325 WeakPolarHBondContact O-CA 3.32Å; F295-V325 HydrophobicContact CD1-CG2 3.78Å; F295-V325 HydrophobicContact CE1-CG2 3.86Å; F295-V325 HydrophobicContact CE2-CG1 4.49Å; F295-V325 HydrophobicContact CG-CG2 4.3Å; F295-V325 HydrophobicContact CZ-CG2 4.45Å; V325-P339 WeakPolarHBondContact O-CA 3.41Å; V325-G340 PolarHBondContact N-O 2.91Å; V325-G340 PolarHBondContact O-N 3.25Å; V325-F342 HydrophobicContact CG2-CB 3.81Å
326T96.1Very high91.2Very high7 Ų764.6 Ų64.64%0.04334%0.338CS..EExtended strand (participates in β ladder)trans-132168.5-178.354.80000111.1I294 Q333 F334 P339I294-T326 PolarHBondContact N-O 2.87Å; I294-T326 PolarHBondContact O-N 2.89Å; T326-Q333 PolarHBondContact OG1-NE2 2.77Å; T326-F334 WeakPolarHBondContact CB-O 3.38Å; T326-P339 HydrophobicContact CG2-CB 3.94Å
327L95.3Very high90.8Very high0 Ų064.2 Ų64.20%035%0.35CS..EExtended strand (participates in β ladder)trans-112.3151.2-176.7-50.8174.2000110.1P262 I264 F287 L291 Q292 V293 I310 Q333 F334P262-L327 HydrophobicContact CB-CD1 3.9Å; I264-L327 HydrophobicContact CD1-CD1 4.47Å; I264-L327 HydrophobicContact CD1-CD2 3.91Å; I264-L327 HydrophobicContact CD1-CG 3.94Å; I264-L327 HydrophobicContact CG1-CD1 3.91Å; I264-L327 HydrophobicContact CG1-CD2 4.03Å; I264-L327 HydrophobicContact CG1-CG 3.93Å; F287-L327 HydrophobicContact CD1-CD1 4.25Å; F287-L327 HydrophobicContact CE1-CD1 3.66Å; L291-L327 HydrophobicContact CD1-CB 4.25Å; L291-L327 HydrophobicContact CD2-CD1 4.38Å; Q292-L327 CarbonylContact O-C 3.55Å; Q292-L327 WeakPolarHBondContact O-CA 3.42Å; V293-L327 HydrophobicContact CG2-CD2 3.87Å; I310-L327 HydrophobicContact CD1-CD2 4.05Å; L327-Q333 CarbonylContact O-C 3.57Å; L327-Q333 VanDerWaalsContact O-CA 3.29Å; L327-Q333 WeakPolarHBondContact O-CA 3.5Å; L327-Q333 WeakPolarHBondContact O-CG 3.47Å; L327-F334 HydrophobicContact CB-CB 4.32Å; L327-F334 HydrophobicContact CB-CD2 4.4Å; L327-F334 PolarHBondContact N-O 2.99Å; L327-F334 PolarHBondContact O-N 3.49Å
328S92.9Very high90.7Very high10 Ų1065.4 Ų65.47%0.0737%0.366CS..EExtended strand (participates in β ladder)trans-143.6140.6-178-178.10000112.2Q292 K332Q292-S328 WeakPolarHBondContact CB-O 3.45Å; Q292-S328 PolarHBondContact N-O 2.78Å; Q292-S328 PolarHBondContact O-N 2.89Å; S328-K332 CarbonylContact C-O 3.57Å; S328-K332 VanDerWaalsContact CA-O 3.32Å; S328-K332 WeakPolarHBondContact CA-O 3.35Å
329Y91.1Very high91.1Very high31 Ų3158.4 Ų58.412%0.12234%0.336CS..EExtended strand (participates in β ladder)trans-152.4129.3171.6-177-108.4000110.6F288 G290 S331 K332F288-Y329 HydrophobicContact CD2-CE2 4.48Å; F288-Y329 AromaticContact CE2-CD1 3.88Å; F288-Y329 HydrophobicContact CE2-CD1 3.88Å; F288-Y329 AromaticContact CE2-CD2 3.62Å; F288-Y329 HydrophobicContact CE2-CD2 3.62Å; F288-Y329 HydrophobicContact CE2-CE1 4.02Å; F288-Y329 AromaticContact CE2-CE2 3.76Å; F288-Y329 HydrophobicContact CE2-CE2 3.76Å; F288-Y329 AromaticContact CE2-CG 3.66Å; F288-Y329 HydrophobicContact CE2-CG 3.66Å; F288-Y329 AromaticContact CE2-CZ 3.94Å; F288-Y329 HydrophobicContact CZ-CD1 4.02Å; F288-Y329 HydrophobicContact CZ-CD2 4.31Å; F288-Y329 HydrophobicContact CZ-CE1 4.49Å; F288-Y329 AromaticContact CZ-CG 3.9Å; F288-Y329 HydrophobicContact CZ-CG 3.9Å; G290-Y329 WeakPolarHBondContact O-CD2 3.48Å; Y329-S331 VanDerWaalsContact C-N 3.26Å; Y329-S331 PolarHBondContact O-N 2.73Å; Y329-K332 PolarHBondContact N-O 3.45Å; Y329-K332 WeakPolarHBondContact O-CB 3.49Å; Y329-K332 PolarHBondContact O-N 2.83Å
330K85.9Confident91.3Very high115 Ų11554.5 Ų54.550%0.532%0.319SS..THydrogen-bonded Turntrans45.149.9-179.7-64.7-176.6-177.6174.70112.8D248 K332D248-K330 WeakPolarHBondContact OD1-CD 3.13Å; D248-K330 IonicContact OD1-NZ 3.48Å; D248-K330 PolarHBondContact OD1-NZ 2.73Å; K330-K332 PolarHBondContact O-N 3.39Å; K330-K332 VanDerWaalsContact O-N 3.11Å
331S82.1Confident91.6Very high128 Ų12859.2 Ų59.290%0.89533%0.328SS*.THydrogen-bonded Turntrans63.46-178.5-49.50000116.4Y329Y329-S331 VanDerWaalsContact C-N 3.26Å; Y329-S331 PolarHBondContact O-N 2.73Å
332K88.1Confident91.8Very high80 Ų8057.7 Ų57.735%0.34831%0.312SS..EExtended strand (participates in β ladder)trans-91.3131.5165.4-64.3-177.8178.9179.10109.5E251 S328 Y329 K330 F334E251-K332 IonicContact OE1-NZ 3.91Å; E251-K332 PolarHBondContact OE1-NZ 2.92Å; S328-K332 CarbonylContact C-O 3.57Å; S328-K332 VanDerWaalsContact CA-O 3.32Å; S328-K332 WeakPolarHBondContact CA-O 3.35Å; Y329-K332 PolarHBondContact N-O 3.45Å; Y329-K332 WeakPolarHBondContact O-CB 3.49Å; Y329-K332 PolarHBondContact O-N 2.83Å; K330-K332 PolarHBondContact O-N 3.39Å; K330-K332 VanDerWaalsContact O-N 3.11Å; K332-F334 HydrophobicContact CB-CE2 4.31Å; K332-F334 HydrophobicContact CB-CZ 4.04Å
333Q90.6Very high91.9Very high74 Ų7456.9 Ų56.935%0.34630%0.304SS..EExtended strand (participates in β ladder)trans-114.6128.8-179.3-171.7-178.76.900110.4I294 T326 L327 K336I294-Q333 HydrophobicContact CD1-CG 4.29Å; T326-Q333 PolarHBondContact OG1-NE2 2.77Å; L327-Q333 CarbonylContact O-C 3.57Å; L327-Q333 VanDerWaalsContact O-CA 3.29Å; L327-Q333 WeakPolarHBondContact O-CA 3.5Å; L327-Q333 WeakPolarHBondContact O-CG 3.47Å; Q333-K336 HydrophobicContact CG-CG 4.4Å
334F91.7Very high91.8Very high37 Ų3756.7 Ų56.716%0.16230%0.303CS..EExtended strand (participates in β ladder)trans-108.7173.3-175-46.9-92000111.1P262 T326 L327 K332 K336P262-F334 HydrophobicContact CG-CB 4.17Å; P262-F334 HydrophobicContact CG-CD1 3.9Å; P262-F334 HydrophobicContact CG-CD2 3.77Å; P262-F334 HydrophobicContact CG-CE1 4.2Å; P262-F334 HydrophobicContact CG-CE2 4.08Å; P262-F334 HydrophobicContact CG-CG 3.68Å; P262-F334 HydrophobicContact CG-CZ 4.29Å; T326-F334 WeakPolarHBondContact CB-O 3.38Å; L327-F334 HydrophobicContact CB-CB 4.32Å; L327-F334 HydrophobicContact CB-CD2 4.4Å; L327-F334 PolarHBondContact N-O 2.99Å; L327-F334 PolarHBondContact O-N 3.49Å; K332-F334 HydrophobicContact CB-CE2 4.31Å; K332-F334 HydrophobicContact CB-CZ 4.04Å; F334-K336 PolarHBondContact O-N 3.04Å; F334-K336 VanDerWaalsContact O-N 3.15Å
335C88.4Confident91.6Very high16 Ų1653.5 Ų53.511%0.10829%0.29CS..  trans59.714.6-179.1-63.30000116.2P262 I264 G337 T338 P339P262-C335 PolarHBondContact O-SG 3.26Å; P262-C335 VanDerWaalsContact O-SG 3.32Å; I264-C335 HydrophobicContact CD1-CB 4.4Å; I264-C335 PolarHBondContact N-SG 3.46Å; C335-G337 VanDerWaalsContact C-N 3.31Å; C335-G337 PolarHBondContact O-N 3Å; C335-T338 CarbonylContact O-C 3.6Å; C335-T338 PolarHBondContact O-N 3.45Å; C335-T338 VanDerWaalsContact O-N 3.12Å; C335-P339 VanDerWaalsContact O-CA 3.3Å; C335-P339 WeakPolarHBondContact O-CA 3.49Å
336K86.4Confident91.1Very high139 Ų13953.7 Ų53.760%0.60429%0.292SS*.THydrogen-bonded Turntrans-59-34.6179.9-74.4-165.3174-173.90115.1Q333 F334Q333-K336 HydrophobicContact CG-CG 4.4Å; F334-K336 PolarHBondContact O-N 3.04Å; F334-K336 VanDerWaalsContact O-N 3.15Å
337G85.6Confident90Very high78 Ų7857.7 Ų57.780%0.80431%0.312SS*.THydrogen-bonded Turntrans-83.3-17.2177.900000114.1C335C335-G337 VanDerWaalsContact C-N 3.31Å; C335-G337 PolarHBondContact O-N 3Å
338T89.9Confident88.8Confident103 Ų10363.3 Ų63.363%0.63234%0.343SS*.SBendtrans-142.564.3-177.957.30000109.3C335C335-T338 CarbonylContact O-C 3.6Å; C335-T338 PolarHBondContact O-N 3.45Å; C335-T338 VanDerWaalsContact O-N 3.12Å
339P94Very high87.7Confident25 Ų2567 Ų6716%0.16236%0.359CS..  trans-69.9147.3-177.928.3-33.9000110.3E324 V325 T326 C335E324-P339 HydrophobicContact CB-CB 3.86Å; E324-P339 HydrophobicContact CB-CG 4.12Å; E324-P339 HydrophobicContact CG-CB 4.24Å; E324-P339 HydrophobicContact CG-CG 3.93Å; V325-P339 WeakPolarHBondContact O-CA 3.41Å; T326-P339 HydrophobicContact CG2-CB 3.94Å; C335-P339 VanDerWaalsContact O-CA 3.3Å; C335-P339 WeakPolarHBondContact O-CA 3.49Å
340G94.1Very high86.7Confident10 Ų1070.4 Ų70.410%0.10339%0.385CS..EExtended strand (participates in β ladder)trans-62.5161.4162.500000110.2E324 V325E324-G340 CarbonylContact C-O 3.49Å; E324-G340 WeakPolarHBondContact CA-O 3.2Å; V325-G340 PolarHBondContact N-O 2.91Å; V325-G340 PolarHBondContact O-N 3.25Å
341R95.8Very high86.1Confident165 Ų16569.1 Ų69.162%0.62339%0.386SS*.EExtended strand (participates in β ladder)trans-125134.6178.4-65.4-176.5177.9-139.2-9.5109.9V322 V323V322-R341 HydrophobicContact CG1-CB 4.28Å; V322-R341 HydrophobicContact CG1-CG 4.46Å; V323-R341 WeakPolarHBondContact O-CA 3.38Å
342F96.9Very high85.9Confident0 Ų065.4 Ų65.40%036%0.356CS..EExtended strand (participates in β ladder)trans-132137.7175.3-174.8-92.8000109.5I267 P269 S270 G272 V280 F295 T314 V323 V325 Y344I267-F342 HydrophobicContact CG2-CD2 4.19Å; P269-F342 WeakPolarHBondContact O-CE2 3.45Å; S270-F342 CarbonylContact O-C 3.53Å; S270-F342 VanDerWaalsContact O-CA 3.32Å; S270-F342 WeakPolarHBondContact O-CA 3.26Å; G272-F342 VanDerWaalsContact N-CZ 3.32Å; V280-F342 HydrophobicContact CG2-CD2 4.45Å; V280-F342 HydrophobicContact CG2-CE2 3.73Å; V280-F342 HydrophobicContact CG2-CZ 4.35Å; F295-F342 HydrophobicContact CD1-CB 4.29Å; F295-F342 HydrophobicContact CD1-CD1 4.26Å; F295-F342 HydrophobicContact CD1-CG 4.33Å; F295-F342 HydrophobicContact CE1-CB 3.98Å; F295-F342 HydrophobicContact CE1-CD1 4.01Å; F295-F342 HydrophobicContact CE1-CD2 4.23Å; F295-F342 AromaticContact CE1-CG 3.79Å; F295-F342 HydrophobicContact CE1-CG 3.79Å; T314-F342 HydrophobicContact CG2-CE1 3.91Å; T314-F342 HydrophobicContact CG2-CE2 4.03Å; T314-F342 HydrophobicContact CG2-CZ 3.53Å; V323-F342 PolarHBondContact N-O 3.27Å; V323-F342 PolarHBondContact O-N 2.91Å; V325-F342 HydrophobicContact CG2-CB 3.81Å; F342-Y344 AromaticContact CD1-CD2 3.82Å; F342-Y344 HydrophobicContact CD1-CD2 3.82Å; F342-Y344 AromaticContact CD1-CE2 3.66Å; F342-Y344 HydrophobicContact CD1-CE2 3.66Å; F342-Y344 HydrophobicContact CD1-CG 4.44Å; F342-Y344 HydrophobicContact CE1-CD1 4.25Å; F342-Y344 HydrophobicContact CE1-CD2 4.05Å; F342-Y344 HydrophobicContact CE1-CE1 4.16Å; F342-Y344 AromaticContact CE1-CE2 3.92Å; F342-Y344 HydrophobicContact CE1-CE2 3.92Å; F342-Y344 HydrophobicContact CE1-CG 4.25Å
343I96.1Very high85.5Confident67 Ų6763.7 Ų63.734%0.34435%0.351SS..EExtended strand (participates in β ladder)trans-106.5123.9-176.4-50.8-177.5000109.9S270 E271 G272 V322S270-I343 PolarHBondContact O-N 3.43Å; E271-I343 CarbonylContact C-O 3.57Å; E271-I343 WeakPolarHBondContact CA-O 3.28Å; E271-I343 HydrophobicContact CB-CB 3.96Å; G272-I343 PolarHBondContact N-O 2.78Å; V322-I343 HydrophobicContact CG2-CG1 4.38Å
344Y94.6Very high85.1Confident3 Ų367.6 Ų67.61%0.01236%0.363CS..EExtended strand (participates in β ladder)trans-91.5116.1170.7-80.2-87.3000110.8G272 F295 P315 R317 P320 G321 V323 F342G272-Y344 CarbonylContact O-C 3.53Å; G272-Y344 WeakPolarHBondContact O-CA 3.39Å; F295-Y344 HydrophobicContact CD1-CE2 4.39Å; P315-Y344 VanDerWaalsContact CD-OH 3.26Å; P315-Y344 WeakPolarHBondContact CD-OH 3.5Å; P315-Y344 WeakPolarHBondContact CG-OH 3.45Å; P315-Y344 WeakPolarHBondContact O-CE1 3.44Å; P315-Y344 PolarHBondContact O-OH 2.96Å; R317-Y344 HydrophobicContact CB-CD1 3.98Å; R317-Y344 HydrophobicContact CB-CD2 4.42Å; R317-Y344 HydrophobicContact CB-CE1 3.81Å; R317-Y344 HydrophobicContact CB-CE2 4.3Å; R317-Y344 HydrophobicContact CB-CG 4.23Å; P320-Y344 CarbonylContact C-O 3.6Å; P320-Y344 WeakPolarHBondContact CA-O 3.44Å; P320-Y344 VanDerWaalsContact CB-O 3.26Å; P320-Y344 WeakPolarHBondContact CB-O 3.35Å; G321-Y344 PolarHBondContact N-O 2.79Å; G321-Y344 PolarHBondContact O-N 3.05Å; V323-Y344 HydrophobicContact CB-CD2 4.24Å; V323-Y344 HydrophobicContact CB-CE2 4.24Å; V323-Y344 HydrophobicContact CG2-CD2 3.57Å; V323-Y344 HydrophobicContact CG2-CE2 3.81Å; F342-Y344 AromaticContact CD1-CD2 3.82Å; F342-Y344 HydrophobicContact CD1-CD2 3.82Å; F342-Y344 AromaticContact CD1-CE2 3.66Å; F342-Y344 HydrophobicContact CD1-CE2 3.66Å; F342-Y344 HydrophobicContact CD1-CG 4.44Å; F342-Y344 HydrophobicContact CE1-CD1 4.25Å; F342-Y344 HydrophobicContact CE1-CD2 4.05Å; F342-Y344 HydrophobicContact CE1-CE1 4.16Å; F342-Y344 AromaticContact CE1-CE2 3.92Å; F342-Y344 HydrophobicContact CE1-CE2 3.92Å; F342-Y344 HydrophobicContact CE1-CG 4.25Å
345T90.2Very high84.8Confident35 Ų3567.2 Ų67.222%0.21537%0.37CS..EExtended strand (participates in β ladder)trans-101.9147.2176.1-52.20000109.6G272 W273 T274G272-T345 PolarHBondContact O-N 3Å; W273-T345 WeakPolarHBondContact CA-O 3.43Å; W273-T345 HydrophobicContact CE3-CG2 4.46Å; W273-T345 HydrophobicContact CZ3-CG2 3.86Å; T274-T345 PolarHBondContact N-O 2.9Å
346A86.3Confident84.7Confident5 Ų567.8 Ų67.84%0.04137%0.371CS..  trans-121.3134.3-175.900000112T274 P320 N348 E349T274-A346 HydrophobicContact CG2-CB 3.88Å; P320-A346 HydrophobicContact CB-CB 4.09Å; P320-A346 HydrophobicContact CG-CB 4.34Å; A346-N348 WeakPolarHBondContact CB-OD1 3.49Å; A346-N348 PolarHBondContact O-N 2.87Å; A346-N348 VanDerWaalsContact O-N 3.14Å; A346-E349 PolarHBondContact O-N 2.81Å
347L73.4Confident84.6Confident90 Ų9066.6 Ų66.647%0.47137%0.367SS..THydrogen-bonded Turntrans-71.3-4.1-176.7-73.4169000114.7W273 K375W273-L347 HydrophobicContact CD2-CD2 4.37Å; W273-L347 HydrophobicContact CD2-CG 4.21Å; W273-L347 HydrophobicContact CE3-CD1 4.5Å; W273-L347 HydrophobicContact CE3-CD2 3.93Å; W273-L347 HydrophobicContact CE3-CG 3.71Å; W273-L347 HydrophobicContact CH2-CD2 3.48Å; W273-L347 VanDerWaalsContact CH2-CD2 3.48Å; W273-L347 HydrophobicContact CH2-CG 4.22Å; W273-L347 HydrophobicContact CZ2-CD2 3.94Å; W273-L347 HydrophobicContact CZ3-CD2 3.46Å; W273-L347 VanDerWaalsContact CZ3-CD2 3.46Å; W273-L347 HydrophobicContact CZ3-CG 3.72Å; L347-K375 PolarHBondContact O-NZ 3.26Å
348N70.2Confident84.7Confident118 Ų11871.1 Ų71.163%0.63136%0.36SS*.THydrogen-bonded Turntrans-115.221.7-179.467.3-40.7000112.7A346A346-N348 WeakPolarHBondContact CB-OD1 3.49Å; A346-N348 PolarHBondContact O-N 2.87Å; A346-N348 VanDerWaalsContact O-N 3.14Å
349E69.4Low84.5Confident88 Ų8869.1 Ų69.141%0.41135%0.345SS..  trans-66.1130.9171.9-158.6-17315500109.8A346 T351 I352 D353A346-E349 PolarHBondContact O-N 2.81Å; E349-T351 VanDerWaalsContact CG-OG1 3.27Å; E349-T351 WeakPolarHBondContact CG-OG1 3.18Å; E349-T351 PolarHBondContact O-N 3.45Å; E349-T351 VanDerWaalsContact O-N 3.15Å; E349-T351 PolarHBondContact OE1-OG1 3.14Å; E349-I352 HydrophobicContact CB-CB 4.39Å; E349-I352 HydrophobicContact CB-CD1 4Å; E349-I352 HydrophobicContact CB-CG1 4.15Å; E349-I352 WeakPolarHBondContact O-CB 3.35Å; E349-I352 PolarHBondContact O-N 3.4Å; E349-D353 PolarHBondContact O-N 3.41Å
350P70.5Confident84Confident103 Ų10370.2 Ų70.267%0.66935%0.348SS*.Hα-helixtrans-62.9-26.3-172.422.8-34.6000113.7Y354P350-Y354 VanDerWaalsContact O-CB 3.29Å; P350-Y354 WeakPolarHBondContact O-CB 3.35Å; P350-Y354 PolarHBondContact O-N 3.03Å
351T73.4Confident83.6Confident87 Ų8778.4 Ų78.453%0.53438%0.381SS..Hα-helixtrans-61.7-47.7170.946.70000111.7E349 G355E349-T351 VanDerWaalsContact CG-OG1 3.27Å; E349-T351 WeakPolarHBondContact CG-OG1 3.18Å; E349-T351 PolarHBondContact O-N 3.45Å; E349-T351 VanDerWaalsContact O-N 3.15Å; E349-T351 PolarHBondContact OE1-OG1 3.14Å; T351-G355 PolarHBondContact O-N 3.15Å
352I77.6Confident83.1Confident50 Ų5075.6 Ų75.626%0.25638%0.382SS..Hα-helixtrans-67.3-47.5178.3-63.7176.1000110E349 Y354 G355 F356E349-I352 HydrophobicContact CB-CB 4.39Å; E349-I352 HydrophobicContact CB-CD1 4Å; E349-I352 HydrophobicContact CB-CG1 4.15Å; E349-I352 WeakPolarHBondContact O-CB 3.35Å; E349-I352 PolarHBondContact O-N 3.4Å; I352-Y354 VanDerWaalsContact C-N 3.34Å; I352-Y354 PolarHBondContact O-N 3.28Å; I352-G355 WeakPolarHBondContact O-CA 3.49Å; I352-G355 PolarHBondContact O-N 2.69Å; I352-F356 HydrophobicContact CG2-CD2 3.78Å; I352-F356 HydrophobicContact CG2-CE2 3.71Å; I352-F356 WeakPolarHBondContact O-CD2 3.32Å; I352-F356 PolarHBondContact O-N 3.36Å
353D79.6Confident82.6Confident44 Ų4476.2 Ų76.224%0.23539%0.385CS..Hα-helixtrans-64.2-35.3179.1-86.8-42.2000113E349 F356 Q357 K375E349-D353 PolarHBondContact O-N 3.41Å; D353-F356 PolarHBondContact O-N 3.43Å; D353-Q357 VanDerWaalsContact O-CG 3.32Å; D353-Q357 WeakPolarHBondContact O-CG 3.41Å; D353-Q357 PolarHBondContact O-N 2.87Å; D353-K375 WeakPolarHBondContact OD1-CE 3.19Å; D353-K375 IonicContact OD1-NZ 3.37Å; D353-K375 PolarHBondContact OD1-NZ 3.13Å; D353-K375 IonicContact OD2-NZ 3.74Å
354Y83.2Confident81.9Confident156 Ų15676.3 Ų76.361%0.61239%0.39SS*.Hα-helixtrans-63.4-40.8169.2177.7-98000112.1P350 I352 F356 Q357 R358P350-Y354 VanDerWaalsContact O-CB 3.29Å; P350-Y354 WeakPolarHBondContact O-CB 3.35Å; P350-Y354 PolarHBondContact O-N 3.03Å; I352-Y354 VanDerWaalsContact C-N 3.34Å; I352-Y354 PolarHBondContact O-N 3.28Å; Y354-F356 PolarHBondContact O-N 3.04Å; Y354-Q357 PolarHBondContact O-N 2.96Å; Y354-R358 PolarHBondContact O-N 2.96Å
355G84.6Confident81.3Confident30 Ų3082.1 Ų82.131%0.30941%0.412SS..Hα-helixtrans-56.9-46.7172.200000112.6T351 I352 R358 L359T351-G355 PolarHBondContact O-N 3.15Å; I352-G355 WeakPolarHBondContact O-CA 3.49Å; I352-G355 PolarHBondContact O-N 2.69Å; G355-R358 PolarHBondContact O-N 3.12Å; G355-L359 WeakPolarHBondContact O-CG 3.31Å; G355-L359 PolarHBondContact O-N 3.04Å
356F86.3Confident80.9Confident28 Ų2885.5 Ų85.512%0.12343%0.425CS..Hα-helixtrans-62.2-42.6174.7-86.5-79.3000112.9I352 D353 Y354 R358 L359 Q360 K375 I378 L379I352-F356 HydrophobicContact CG2-CD2 3.78Å; I352-F356 HydrophobicContact CG2-CE2 3.71Å; I352-F356 WeakPolarHBondContact O-CD2 3.32Å; I352-F356 PolarHBondContact O-N 3.36Å; D353-F356 PolarHBondContact O-N 3.43Å; Y354-F356 PolarHBondContact O-N 3.04Å; F356-R358 VanDerWaalsContact C-N 3.29Å; F356-R358 PolarHBondContact O-N 2.93Å; F356-L359 PolarHBondContact O-N 3.47Å; F356-Q360 WeakPolarHBondContact O-CB 3.47Å; F356-Q360 PolarHBondContact O-N 3.15Å; F356-K375 HydrophobicContact CD1-CB 4.05Å; F356-K375 HydrophobicContact CD1-CD 4.27Å; F356-K375 HydrophobicContact CD1-CG 3.77Å; F356-K375 HydrophobicContact CD2-CD 3.98Å; F356-K375 HydrophobicContact CD2-CG 4.39Å; F356-K375 HydrophobicContact CE1-CB 3.51Å; F356-K375 HydrophobicContact CE1-CD 4.14Å; F356-K375 HydrophobicContact CE1-CG 3.71Å; F356-K375 WeakPolarHBondContact CE1-O 3.49Å; F356-K375 HydrophobicContact CE2-CD 3.83Å; F356-K375 HydrophobicContact CE2-CG 4.33Å; F356-K375 HydrophobicContact CG-CD 4.21Å; F356-K375 HydrophobicContact CG-CG 4.14Å; F356-K375 HydrophobicContact CZ-CB 3.82Å; F356-K375 HydrophobicContact CZ-CD 3.92Å; F356-K375 HydrophobicContact CZ-CG 4.01Å; F356-I378 HydrophobicContact CD1-CB 4.18Å; F356-I378 HydrophobicContact CD1-CD1 4.21Å; F356-I378 HydrophobicContact CD1-CG2 3.78Å; F356-I378 HydrophobicContact CE1-CB 4.27Å; F356-I378 HydrophobicContact CE1-CG2 4.1Å; F356-L379 HydrophobicContact CE1-CD1 4.4Å; F356-L379 HydrophobicContact CE1-CD2 4.24Å; F356-L379 HydrophobicContact CE1-CG 3.84Å; F356-L379 HydrophobicContact CZ-CD1 3.92Å; F356-L379 HydrophobicContact CZ-CD2 4.09Å; F356-L379 HydrophobicContact CZ-CG 3.8Å
357Q84.8Confident80.6Confident113 Ų11391.7 Ų91.753%0.52847%0.465SS..Hα-helixtrans-62.6-35174.7-71.1172.633.200112.6D353 Y354 K361D353-Q357 VanDerWaalsContact O-CG 3.32Å; D353-Q357 WeakPolarHBondContact O-CG 3.41Å; D353-Q357 PolarHBondContact O-N 2.87Å; Y354-Q357 PolarHBondContact O-N 2.96Å; Q357-K361 WeakPolarHBondContact O-CG 3.28Å
358R87Confident80.8Confident174 Ų17491.5 Ų91.566%0.65749%0.485SS*.Hα-helixtrans-70.3-45.8175-174.8178.4175.2-166.1-2.1111.2Y354 G355 F356 Q360 K361Y354-R358 PolarHBondContact O-N 2.96Å; G355-R358 PolarHBondContact O-N 3.12Å; F356-R358 VanDerWaalsContact C-N 3.29Å; F356-R358 PolarHBondContact O-N 2.93Å; R358-Q360 PolarHBondContact O-N 2.77Å; R358-K361 PolarHBondContact O-N 3.37Å
359L86.2Confident81.4Confident61 Ų6187.8 Ų87.832%0.31947%0.465SS..Hα-helixtrans-59.8-43.8176.3-73.9171.8000111.9G355 F356 K361 V362 I363 I378 A382G355-L359 WeakPolarHBondContact O-CG 3.31Å; G355-L359 PolarHBondContact O-N 3.04Å; F356-L359 PolarHBondContact O-N 3.47Å; L359-K361 PolarHBondContact O-N 2.96Å; L359-V362 PolarHBondContact O-N 3.12Å; L359-I363 HydrophobicContact CB-CD1 3.92Å; L359-I363 WeakPolarHBondContact O-CD1 3.15Å; L359-I363 WeakPolarHBondContact O-CG1 3.26Å; L359-I363 PolarHBondContact O-N 3.47Å; L359-I378 HydrophobicContact CB-CG2 3.75Å; L359-I378 HydrophobicContact CD1-CG2 4.32Å; L359-A382 HydrophobicContact CD2-CB 4.38Å
360Q84.9Confident82Confident48 Ų4890.2 Ų90.222%0.22448%0.476CS..Hα-helixtrans-61.2-17.1178.9-163.2-174.4-10.400113.8F356 R358 E371 I378F356-Q360 WeakPolarHBondContact O-CB 3.47Å; F356-Q360 PolarHBondContact O-N 3.15Å; R358-Q360 PolarHBondContact O-N 2.77Å; Q360-E371 PolarHBondContact NE2-O 3.32Å; Q360-I378 HydrophobicContact CB-CD1 4.2Å; Q360-I378 HydrophobicContact CG-CD1 4.2Å
361K84.5Confident82.2Confident182 Ų18293.7 Ų93.779%0.79148%0.483SS*.Hα-helixtrans-89.3-18173.8-67.5175.6-177.4-177.70114Q357 R358 L359Q357-K361 WeakPolarHBondContact O-CG 3.28Å; R358-K361 PolarHBondContact O-N 3.37Å; L359-K361 PolarHBondContact O-N 2.96Å
362V84.8Confident82.6Confident105 Ų10598.8 Ų98.864%0.63649%0.493SS*.Hα-helixtrans-104.8-30.6-174.9179.60000111.7L359L359-V362 PolarHBondContact O-N 3.12Å
363I87.2Confident82.8Confident13 Ų1397 Ų977%0.06748%0.484CS..SBendtrans-72.6132.1-178.5-71.7157000111.4L359 R365 I378 R381 A382L359-I363 HydrophobicContact CB-CD1 3.92Å; L359-I363 WeakPolarHBondContact O-CD1 3.15Å; L359-I363 WeakPolarHBondContact O-CG1 3.26Å; L359-I363 PolarHBondContact O-N 3.47Å; I363-R365 PolarHBondContact O-N 3.11Å; I363-I378 HydrophobicContact CD1-CB 4.3Å; I363-I378 HydrophobicContact CD1-CG2 3.55Å; I363-I378 WeakPolarHBondContact CD1-O 3.4Å; I363-R381 HydrophobicContact CG2-CB 3.53Å; I363-R381 HydrophobicContact CG2-CG 4.36Å; I363-A382 HydrophobicContact CD1-CB 4.13Å; I363-A382 HydrophobicContact CG1-CB 4.49Å
364P81.9Confident83.2Confident70 Ų7098 Ų9846%0.45549%0.493SS..PPolyproline II helixtrans-57.1131.8172.5-27.135.8000113.6R381 L385P364-R381 PolarHBondContact O-NH1 3.46Å; P364-L385 HydrophobicContact CG-CD1 4.14Å
365R81.2Confident83.3Confident124 Ų12493.9 Ų93.947%0.46848%0.478SS..PPolyproline II helixtrans-86.6144.6167.9-72.3-178.1178.7-104.57.6110.7I363 D369 Q370 E371I363-R365 PolarHBondContact O-N 3.11Å; R365-D369 WeakPolarHBondContact CA-OD2 3.27Å; R365-D369 WeakPolarHBondContact CB-OD2 3.36Å; R365-Q370 PolarHBondContact NH1-O 3.33Å; R365-E371 PolarHBondContact NH1-O 3.47Å; R365-E371 PolarHBondContact NH2-O 3.37Å
366H81.9Confident83.4Confident106 Ų106100.2 Ų100.249%0.49150%0.5SS..  trans-107.9152.3177-65.269.3000109.8G368 D369 R381H366-G368 PolarHBondContact O-N 3.21Å; H366-D369 PolarHBondContact N-OD2 3.12Å; H366-D369 WeakPolarHBondContact O-CB 3.21Å; H366-D369 VanDerWaalsContact O-CG 3.29Å; H366-D369 PolarHBondContact O-N 3.13Å; H366-D369 VanDerWaalsContact O-N 3.09Å; H366-R381 VanDerWaalsContact ND1-CZ 3.33Å; H366-R381 PolarHBondContact ND1-NH1 3.1Å
367P79.7Confident83.5Confident136 Ų136101.2 Ų101.288%0.88351%0.508SS*.THydrogen-bonded Turntrans-55.9129.4173.1-24.734.9000111.3
368G78.8Confident83.6Confident85 Ų8596 Ų9688%0.87648%0.484SS*.THydrogen-bonded Turntrans93.1-2.3-175.100000115.5H366H366-G368 PolarHBondContact O-N 3.21Å
369D83.1Confident83.8Confident41 Ų4192.4 Ų92.422%0.21948%0.477CS..  trans-61.2137.4173.2-84.5-14.4000113R365 H366 L373 R381R365-D369 WeakPolarHBondContact CA-OD2 3.27Å; R365-D369 WeakPolarHBondContact CB-OD2 3.36Å; H366-D369 PolarHBondContact N-OD2 3.12Å; H366-D369 WeakPolarHBondContact O-CB 3.21Å; H366-D369 VanDerWaalsContact O-CG 3.29Å; H366-D369 PolarHBondContact O-N 3.13Å; H366-D369 VanDerWaalsContact O-N 3.09Å; D369-L373 HydrophobicContact CB-CD2 3.99Å; D369-R381 IonicContact OD1-CZ 3.14Å; D369-R381 IonicContact OD1-NH1 3.47Å; D369-R381 PolarHBondContact OD1-NH1 3.49Å; D369-R381 IonicContact OD1-NH2 3.36Å; D369-R381 PolarHBondContact OD1-NH2 3.03Å; D369-R381 IonicContact OD2-CZ 2.72Å; D369-R381 IonicContact OD2-NH1 3.25Å; D369-R381 PolarHBondContact OD2-NH1 3.24Å; D369-R381 IonicContact OD2-NH2 2.72Å
370Q80.7Confident83.9Confident138 Ų13896.1 Ų96.165%0.64549%0.49SS*.  trans-64.9151.4168.4-68.4-176.7-17.200111.7R365 R372R365-Q370 PolarHBondContact NH1-O 3.33Å; Q370-R372 PolarHBondContact O-N 2.85Å
371E74.3Confident84.1Confident176 Ų17695.7 Ų95.782%0.82249%0.487SS*.SBendtrans-54.9-39.4179-170.7-179.4-172.600111.9Q360 R365Q360-E371 PolarHBondContact NE2-O 3.32Å; R365-E371 PolarHBondContact NH1-O 3.47Å; R365-E371 PolarHBondContact NH2-O 3.37Å
372R81.6Confident84.3Confident194 Ų19488 Ų8873%0.73246%0.457SS*.SBendtrans-111.5114.9170.5-170.3175.4-173.8169.71.3110.2Q370Q370-R372 PolarHBondContact O-N 2.85Å
373L82.9Confident84.5Confident14 Ų1485 Ų857%0.07344%0.444CS..  trans-76.7143.7176.6-68.4172.4000111.1D369 V377 I378D369-L373 HydrophobicContact CB-CD2 3.99Å; L373-V377 HydrophobicContact CD2-CG1 4.36Å; L373-I378 HydrophobicContact CB-CD1 4.06Å; L373-I378 HydrophobicContact CB-CG1 3.73Å; L373-I378 HydrophobicContact CD1-CG1 4.49Å; L373-I378 WeakPolarHBondContact O-CD1 3.3Å
374P87.1Confident84.6Confident64 Ų6487.9 Ų87.942%0.41646%0.459SS..  trans-61.4147.8170.5-22.933.6000112.4E376 V377 I378P374-E376 PolarHBondContact O-N 2.91Å; P374-V377 HydrophobicContact CB-CG2 4.17Å; P374-V377 HydrophobicContact CG-CG2 4.13Å; P374-V377 PolarHBondContact O-N 2.78Å; P374-I378 WeakPolarHBondContact O-CG1 3.45Å; P374-I378 PolarHBondContact O-N 3.21Å
375K85.8Confident84.8Confident70 Ų7087.6 Ų87.630%0.30445%0.453SS..Hα-helixtrans-54.4-39.3179.8-72.1-167.2176.7-168.40112.6L347 D353 F356 I378 L379L347-K375 PolarHBondContact O-NZ 3.26Å; D353-K375 WeakPolarHBondContact OD1-CE 3.19Å; D353-K375 IonicContact OD1-NZ 3.37Å; D353-K375 PolarHBondContact OD1-NZ 3.13Å; D353-K375 IonicContact OD2-NZ 3.74Å; F356-K375 HydrophobicContact CD1-CB 4.05Å; F356-K375 HydrophobicContact CD1-CD 4.27Å; F356-K375 HydrophobicContact CD1-CG 3.77Å; F356-K375 HydrophobicContact CD2-CD 3.98Å; F356-K375 HydrophobicContact CD2-CG 4.39Å; F356-K375 HydrophobicContact CE1-CB 3.51Å; F356-K375 HydrophobicContact CE1-CD 4.14Å; F356-K375 HydrophobicContact CE1-CG 3.71Å; F356-K375 WeakPolarHBondContact CE1-O 3.49Å; F356-K375 HydrophobicContact CE2-CD 3.83Å; F356-K375 HydrophobicContact CE2-CG 4.33Å; F356-K375 HydrophobicContact CG-CD 4.21Å; F356-K375 HydrophobicContact CG-CG 4.14Å; F356-K375 HydrophobicContact CZ-CB 3.82Å; F356-K375 HydrophobicContact CZ-CD 3.92Å; F356-K375 HydrophobicContact CZ-CG 4.01Å; K375-I378 PolarHBondContact O-N 2.76Å; K375-L379 PolarHBondContact O-N 2.96Å
376E86.4Confident85.1Confident163 Ų16385.1 Ų85.176%0.76245%0.451SS*.Hα-helixtrans-62.3-43.2177-67.2161.5-151.200112.7P374 I378 L379 K380P374-E376 PolarHBondContact O-N 2.91Å; E376-I378 VanDerWaalsContact C-N 3.35Å; E376-L379 PolarHBondContact O-N 2.88Å; E376-K380 WeakPolarHBondContact O-CB 3.43Å; E376-K380 PolarHBondContact O-N 3Å
377V87.8Confident85.3Confident49 Ų4986.6 Ų86.630%0.29746%0.459SS..Hα-helixtrans-68.6-36.6178-179.60000111L373 P374 R381L373-V377 HydrophobicContact CD2-CG1 4.36Å; P374-V377 HydrophobicContact CB-CG2 4.17Å; P374-V377 HydrophobicContact CG-CG2 4.13Å; P374-V377 PolarHBondContact O-N 2.78Å; V377-R381 WeakPolarHBondContact O-CG 3.46Å; V377-R381 PolarHBondContact O-N 2.82Å; V377-R381 VanDerWaalsContact O-N 3.07Å
378I88.2Confident85.5Confident4 Ų482.7 Ų82.72%0.02144%0.438CS..Hα-helixtrans-62.5-50.9173.8-67.6170.3000110.3F356 L359 Q360 I363 L373 P374 K375 E376 A382F356-I378 HydrophobicContact CD1-CB 4.18Å; F356-I378 HydrophobicContact CD1-CD1 4.21Å; F356-I378 HydrophobicContact CD1-CG2 3.78Å; F356-I378 HydrophobicContact CE1-CB 4.27Å; F356-I378 HydrophobicContact CE1-CG2 4.1Å; L359-I378 HydrophobicContact CB-CG2 3.75Å; L359-I378 HydrophobicContact CD1-CG2 4.32Å; Q360-I378 HydrophobicContact CB-CD1 4.2Å; Q360-I378 HydrophobicContact CG-CD1 4.2Å; I363-I378 HydrophobicContact CD1-CB 4.3Å; I363-I378 HydrophobicContact CD1-CG2 3.55Å; I363-I378 WeakPolarHBondContact CD1-O 3.4Å; L373-I378 HydrophobicContact CB-CD1 4.06Å; L373-I378 HydrophobicContact CB-CG1 3.73Å; L373-I378 HydrophobicContact CD1-CG1 4.49Å; L373-I378 WeakPolarHBondContact O-CD1 3.3Å; P374-I378 WeakPolarHBondContact O-CG1 3.45Å; P374-I378 PolarHBondContact O-N 3.21Å; K375-I378 PolarHBondContact O-N 2.76Å; E376-I378 VanDerWaalsContact C-N 3.35Å; I378-A382 WeakPolarHBondContact O-CB 3.46Å; I378-A382 PolarHBondContact O-N 2.98Å
379L89.9Confident85.6Confident97 Ų9784 Ų8451%0.50842%0.424SS..Hα-helixtrans-63.3-43.9178.2-75.5178.7000112.4F356 K375 E376 R381 A382 A383F356-L379 HydrophobicContact CE1-CD1 4.4Å; F356-L379 HydrophobicContact CE1-CD2 4.24Å; F356-L379 HydrophobicContact CE1-CG 3.84Å; F356-L379 HydrophobicContact CZ-CD1 3.92Å; F356-L379 HydrophobicContact CZ-CD2 4.09Å; F356-L379 HydrophobicContact CZ-CG 3.8Å; K375-L379 PolarHBondContact O-N 2.96Å; E376-L379 PolarHBondContact O-N 2.88Å; L379-R381 PolarHBondContact O-N 2.87Å; L379-A382 WeakPolarHBondContact O-CB 3.37Å; L379-A382 PolarHBondContact O-N 2.99Å; L379-A383 PolarHBondContact O-N 3.04Å
380K89.3Confident85.3Confident139 Ų13990.5 Ų90.560%0.60445%0.447SS*.Hα-helixtrans-57.4-52.7178.5-179175.8175.2177.90111.1E376 A382 A383 D384E376-K380 WeakPolarHBondContact O-CB 3.43Å; E376-K380 PolarHBondContact O-N 3Å; K380-A382 VanDerWaalsContact C-N 3.26Å; K380-A382 PolarHBondContact O-N 3.5Å; K380-A383 CarbonylContact O-C 3.6Å; K380-A383 WeakPolarHBondContact O-CA 3.26Å; K380-A383 WeakPolarHBondContact O-CB 3.46Å; K380-A383 PolarHBondContact O-N 3.09Å; K380-D384 PolarHBondContact O-N 2.84Å
381R88.9Confident84.8Confident40 Ų4086.9 Ų86.915%0.15145%0.447CS..Hα-helixtrans-67.4-25.2-179.5-67.9-176.8-173.1172.18.2113.9I363 P364 H366 D369 V377 L379 D384 L385I363-R381 HydrophobicContact CG2-CB 3.53Å; I363-R381 HydrophobicContact CG2-CG 4.36Å; P364-R381 PolarHBondContact O-NH1 3.46Å; H366-R381 VanDerWaalsContact ND1-CZ 3.33Å; H366-R381 PolarHBondContact ND1-NH1 3.1Å; D369-R381 IonicContact OD1-CZ 3.14Å; D369-R381 IonicContact OD1-NH1 3.47Å; D369-R381 PolarHBondContact OD1-NH1 3.49Å; D369-R381 IonicContact OD1-NH2 3.36Å; D369-R381 PolarHBondContact OD1-NH2 3.03Å; D369-R381 IonicContact OD2-CZ 2.72Å; D369-R381 IonicContact OD2-NH1 3.25Å; D369-R381 PolarHBondContact OD2-NH1 3.24Å; D369-R381 IonicContact OD2-NH2 2.72Å; V377-R381 WeakPolarHBondContact O-CG 3.46Å; V377-R381 PolarHBondContact O-N 2.82Å; V377-R381 VanDerWaalsContact O-N 3.07Å; L379-R381 PolarHBondContact O-N 2.87Å; R381-D384 WeakPolarHBondContact CA-OD2 3.3Å; R381-L385 VanDerWaalsContact O-CB 3.26Å; R381-L385 WeakPolarHBondContact O-CB 3.38Å; R381-L385 PolarHBondContact O-N 3.02Å; R381-L385 VanDerWaalsContact O-N 3.09Å
382A89.3Confident84.4Confident20 Ų2084.4 Ų84.417%0.16544%0.437CS..Hα-helixtrans-66.6-41.7169.500000111.3L359 I363 I378 L379 K380 V386L359-A382 HydrophobicContact CD2-CB 4.38Å; I363-A382 HydrophobicContact CD1-CB 4.13Å; I363-A382 HydrophobicContact CG1-CB 4.49Å; I378-A382 WeakPolarHBondContact O-CB 3.46Å; I378-A382 PolarHBondContact O-N 2.98Å; L379-A382 WeakPolarHBondContact O-CB 3.37Å; L379-A382 PolarHBondContact O-N 2.99Å; K380-A382 VanDerWaalsContact C-N 3.26Å; K380-A382 PolarHBondContact O-N 3.5Å; A382-V386 VanDerWaalsContact O-CG2 3.3Å; A382-V386 WeakPolarHBondContact O-CG2 3.37Å; A382-V386 PolarHBondContact O-N 3.14Å; A382-V386 VanDerWaalsContact O-N 3.1Å
383A88.7Confident83.2Confident43 Ų4380.6 Ų80.636%0.35544%0.437SS..Hα-helixtrans-65.7-51173.200000111.5L379 K380 L385 V386 E387L379-A383 PolarHBondContact O-N 3.04Å; K380-A383 CarbonylContact O-C 3.6Å; K380-A383 WeakPolarHBondContact O-CA 3.26Å; K380-A383 WeakPolarHBondContact O-CB 3.46Å; K380-A383 PolarHBondContact O-N 3.09Å; A383-L385 PolarHBondContact O-N 3.05Å; A383-L385 VanDerWaalsContact O-N 3.14Å; A383-V386 PolarHBondContact O-N 2.99Å; A383-E387 WeakPolarHBondContact O-CG 3.29Å; A383-E387 PolarHBondContact O-N 3.15Å
384D88.3Confident82.1Confident72 Ų7286.7 Ų86.739%0.38547%0.465SS..Hα-helixtrans-51.2-41.1177.6-55.9-32.4000111.3K380 R381 A388K380-D384 PolarHBondContact O-N 2.84Å; R381-D384 WeakPolarHBondContact CA-OD2 3.3Å; D384-A388 WeakPolarHBondContact O-CB 3.48Å; D384-A388 PolarHBondContact O-N 2.97Å
385L86.1Confident80.5Confident64 Ų6491.2 Ų91.234%0.33549%0.486SS..Hα-helixtrans-73.1-37.1178.5-176.4148.9000113.1P364 R381 A383 A388 L389P364-L385 HydrophobicContact CG-CD1 4.14Å; R381-L385 VanDerWaalsContact O-CB 3.26Å; R381-L385 WeakPolarHBondContact O-CB 3.38Å; R381-L385 PolarHBondContact O-N 3.02Å; R381-L385 VanDerWaalsContact O-N 3.09Å; A383-L385 PolarHBondContact O-N 3.05Å; A383-L385 VanDerWaalsContact O-N 3.14Å; L385-A388 PolarHBondContact O-N 3.38Å; L385-L389 HydrophobicContact CD2-CD1 3.81Å; L385-L389 HydrophobicContact CD2-CG 4.48Å; L385-L389 WeakPolarHBondContact O-CG 3.07Å; L385-L389 PolarHBondContact O-N 2.99Å; L385-L389 VanDerWaalsContact O-N 3.12Å
386V87.5Confident79.2Confident72 Ų7293.4 Ų93.444%0.43650%0.501SS..Hα-helixtrans-69.3-41.9175.6168.90000110.8A382 A383 A388 L389 Y390A382-V386 VanDerWaalsContact O-CG2 3.3Å; A382-V386 WeakPolarHBondContact O-CG2 3.37Å; A382-V386 PolarHBondContact O-N 3.14Å; A382-V386 VanDerWaalsContact O-N 3.1Å; A383-V386 PolarHBondContact O-N 2.99Å; V386-A388 VanDerWaalsContact C-N 3.33Å; V386-A388 PolarHBondContact O-N 3.06Å; V386-L389 WeakPolarHBondContact O-CB 3.38Å; V386-L389 PolarHBondContact O-N 3.36Å; V386-L389 VanDerWaalsContact O-N 3.13Å; V386-Y390 HydrophobicContact CG1-CD2 3.82Å; V386-Y390 HydrophobicContact CG1-CE2 3.78Å; V386-Y390 VanDerWaalsContact O-CD2 3.31Å; V386-Y390 WeakPolarHBondContact O-CD2 3.39Å; V386-Y390 PolarHBondContact O-N 3.34Å; V386-Y390 VanDerWaalsContact O-N 3.11Å
387E86.8Confident77.8Confident137 Ų13788.1 Ų88.164%0.6448%0.476SS*.Hα-helixtrans-60.3-43.2173.6-70.7178.4-167.900111.2A383 L389 Y390 G391A383-E387 WeakPolarHBondContact O-CG 3.29Å; A383-E387 PolarHBondContact O-N 3.15Å; E387-L389 VanDerWaalsContact C-N 3.28Å; E387-L389 PolarHBondContact O-N 3.14Å; E387-Y390 PolarHBondContact O-N 3.48Å; E387-G391 PolarHBondContact O-N 2.92Å
388A83.1Confident76.4Confident54 Ų5493.8 Ų93.845%0.44650%0.499SS..Hα-helixtrans-62.5-29.6174.300000113.9D384 L385 V386 M392D384-A388 WeakPolarHBondContact O-CB 3.48Å; D384-A388 PolarHBondContact O-N 2.97Å; L385-A388 PolarHBondContact O-N 3.38Å; V386-A388 VanDerWaalsContact C-N 3.33Å; V386-A388 PolarHBondContact O-N 3.06Å; A388-M392 WeakPolarHBondContact O-CG 3.41Å
389L81.2Confident75Confident113 Ų113100 Ų10059%0.59253%0.53SS*.Hα-helixtrans-74.9-34.4174.6-74169.7000112.8L385 V386 E387L385-L389 HydrophobicContact CD2-CD1 3.81Å; L385-L389 HydrophobicContact CD2-CG 4.48Å; L385-L389 WeakPolarHBondContact O-CG 3.07Å; L385-L389 PolarHBondContact O-N 2.99Å; L385-L389 VanDerWaalsContact O-N 3.12Å; V386-L389 WeakPolarHBondContact O-CB 3.38Å; V386-L389 PolarHBondContact O-N 3.36Å; V386-L389 VanDerWaalsContact O-N 3.13Å; E387-L389 VanDerWaalsContact C-N 3.28Å; E387-L389 PolarHBondContact O-N 3.14Å
390Y76.9Confident73.7Confident177 Ų177100.5 Ų100.569%0.69453%0.532SS*.Hα-helixtrans-84.7-17.4176.9-75.5-71.5000113.8V386 E387 M392V386-Y390 HydrophobicContact CG1-CD2 3.82Å; V386-Y390 HydrophobicContact CG1-CE2 3.78Å; V386-Y390 VanDerWaalsContact O-CD2 3.31Å; V386-Y390 WeakPolarHBondContact O-CD2 3.39Å; V386-Y390 PolarHBondContact O-N 3.34Å; V386-Y390 VanDerWaalsContact O-N 3.11Å; E387-Y390 PolarHBondContact O-N 3.48Å; Y390-M392 VanDerWaalsContact C-N 3.34Å; Y390-M392 PolarHBondContact O-N 3.37Å
391G70.6Confident72.7Confident63 Ų6399.4 Ų99.465%0.64953%0.532SS*.THydrogen-bonded Turntrans-824178.900000116.4E387E387-G391 PolarHBondContact O-N 2.92Å
392M66.6Low71.4Confident123 Ų123104.3 Ų104.361%0.60655%0.554SS**SBendtrans-98.5145.2-174.7-68.3-69.115600113A388 Y390A388-M392 WeakPolarHBondContact O-CG 3.41Å; Y390-M392 VanDerWaalsContact C-N 3.34Å; Y390-M392 PolarHBondContact O-N 3.37Å
393P56.1Low70.3Confident114 Ų114111.9 Ų111.974%0.7458%0.579SS**  trans-66143.1-178.626.2-33.9000112.8N395P393-N395 VanDerWaalsContact C-N 3.33Å; P393-N395 PolarHBondContact O-N 3.23Å
394H58.6Low69.2Low143 Ų143112.5 Ų112.566%0.66258%0.584SS**G310 helixtrans-60.7-17.1-155.1-77.5-5000118.8N396 Q397H394-N396 PolarHBondContact O-N 2.92Å; H394-Q397 PolarHBondContact ND1-OE1 2.93Å; H394-Q397 WeakPolarHBondContact O-CB 3.39Å; H394-Q397 PolarHBondContact O-N 3.05Å
395N55.6Low68.3Low159 Ų159111.9 Ų111.985%0.8559%0.589SS**G310 helixtrans-64-18.9-167.3-75.713.3000115.9P393P393-N395 VanDerWaalsContact C-N 3.33Å; P393-N395 PolarHBondContact O-N 3.23Å
396N56.4Low67.3Low115 Ų115112.9 Ų112.962%0.61560%0.595SS**G310 helixtrans-96.3-11.8175-82.2-12.6000113.9H394 M399 I400H394-N396 PolarHBondContact O-N 2.92Å; N396-M399 PolarHBondContact O-N 2.77Å; N396-I400 HydrophobicContact CB-CD1 4.34Å; N396-I400 WeakPolarHBondContact O-CG1 3.34Å; N396-I400 PolarHBondContact O-N 2.95Å; N396-I400 VanDerWaalsContact O-N 3.15Å
397Q58.2Low66.5Low53 Ų53114.2 Ų114.225%0.24860%0.598CS.*Hα-helixtrans-74.6-41.4-165.1-155.316412.600111.9H394 I400 L401H394-Q397 PolarHBondContact ND1-OE1 2.93Å; H394-Q397 WeakPolarHBondContact O-CB 3.39Å; H394-Q397 PolarHBondContact O-N 3.05Å; Q397-I400 PolarHBondContact O-N 3.06Å; Q397-L401 HydrophobicContact CG-CD1 4.27Å; Q397-L401 WeakPolarHBondContact O-CB 3.42Å; Q397-L401 WeakPolarHBondContact O-CD1 3.42Å; Q397-L401 PolarHBondContact O-N 2.99Å
398E58.5Low65.6Low167 Ų167109.9 Ų109.978%0.7859%0.586SS**Hα-helixtrans-62-43.7173.9-64.5-168.2140.700112.4I400 L401 K402E398-I400 VanDerWaalsContact C-N 3.3Å; E398-I400 PolarHBondContact O-N 3.27Å; E398-L401 PolarHBondContact O-N 3.41Å; E398-K402 WeakPolarHBondContact O-CB 3.42Å; E398-K402 PolarHBondContact O-N 3.34Å
399M58Low64.7Low136 Ų136113.9 Ų113.967%0.6760%0.596SS**Hα-helixtrans-60.5-38.5177.2-88.9-97.3-80.800112.2N396 R403N396-M399 PolarHBondContact O-N 2.77Å; M399-R403 WeakPolarHBondContact O-CB 3.19Å; M399-R403 PolarHBondContact O-N 2.89Å; M399-R403 VanDerWaalsContact O-N 3.12Å
400I63.9Low63.6Low107 Ų107111 Ų11155%0.54959%0.588SS.*Hα-helixtrans-76.5-44.4179.6-67168.6000111.1N396 Q397 E398 R403 A404N396-I400 HydrophobicContact CB-CD1 4.34Å; N396-I400 WeakPolarHBondContact O-CG1 3.34Å; N396-I400 PolarHBondContact O-N 2.95Å; N396-I400 VanDerWaalsContact O-N 3.15Å; Q397-I400 PolarHBondContact O-N 3.06Å; E398-I400 VanDerWaalsContact C-N 3.3Å; E398-I400 PolarHBondContact O-N 3.27Å; I400-R403 PolarHBondContact O-N 3.42Å; I400-A404 VanDerWaalsContact O-CB 3.32Å; I400-A404 WeakPolarHBondContact O-CB 3.41Å; I400-A404 PolarHBondContact O-N 2.94Å
401L66.9Low62.7Low115 Ų115108.7 Ų108.760%0.60259%0.587SS**Hα-helixtrans-63.1-44.4176.4-97.765.5000111.7Q397 E398 A404 A405Q397-L401 HydrophobicContact CG-CD1 4.27Å; Q397-L401 WeakPolarHBondContact O-CB 3.42Å; Q397-L401 WeakPolarHBondContact O-CD1 3.42Å; Q397-L401 PolarHBondContact O-N 2.99Å; E398-L401 PolarHBondContact O-N 3.41Å; L401-A404 PolarHBondContact O-N 3.2Å; L401-A405 WeakPolarHBondContact O-CB 3.32Å; L401-A405 PolarHBondContact O-N 3.47Å
402K62.6Low61.9Low143 Ų143115.5 Ų115.562%0.62259%0.594SS**Hα-helixtrans-61.3-49.9177.1-173.1168.7-176.7172.80111E398 A404 A405 D406E398-K402 WeakPolarHBondContact O-CB 3.42Å; E398-K402 PolarHBondContact O-N 3.34Å; K402-A404 VanDerWaalsContact C-N 3.26Å; K402-A404 PolarHBondContact O-N 3.05Å; K402-A405 CarbonylContact O-C 3.41Å; K402-A405 WeakPolarHBondContact O-CB 3.41Å; K402-A405 PolarHBondContact O-N 3.3Å; K402-D406 PolarHBondContact O-N 3.21Å
403R66.1Low61.1Low179 Ų179114.3 Ų114.368%0.67559%0.594SS**Hα-helixtrans-63.2-30.9177.9-160.2177.3-153.3161.46113.1M399 I400 I407M399-R403 WeakPolarHBondContact O-CB 3.19Å; M399-R403 PolarHBondContact O-N 2.89Å; M399-R403 VanDerWaalsContact O-N 3.12Å; I400-R403 PolarHBondContact O-N 3.42Å; R403-I407 HydrophobicContact CG-CD1 4.33Å; R403-I407 WeakPolarHBondContact O-CB 3.47Å; R403-I407 WeakPolarHBondContact O-CD1 3.43Å; R403-I407 WeakPolarHBondContact O-CG1 3.38Å; R403-I407 PolarHBondContact O-N 3.07Å; R403-I407 VanDerWaalsContact O-N 3.12Å
404A66.2Low60.8Low57 Ų57114.1 Ų114.147%0.47159%0.591SS.*Hα-helixtrans-71.9-37.8172.900000112.4I400 L401 K402 A408I400-A404 VanDerWaalsContact O-CB 3.32Å; I400-A404 WeakPolarHBondContact O-CB 3.41Å; I400-A404 PolarHBondContact O-N 2.94Å; L401-A404 PolarHBondContact O-N 3.2Å; K402-A404 VanDerWaalsContact C-N 3.26Å; K402-A404 PolarHBondContact O-N 3.05Å; A404-A408 WeakPolarHBondContact O-CB 3.38Å; A404-A408 PolarHBondContact O-N 3.41Å
405A68.2Low60.1Low59 Ų59112.4 Ų112.449%0.48859%0.59SS.*Hα-helixtrans-67.1-46.917300000111.7L401 K402 I407 A408 E409L401-A405 WeakPolarHBondContact O-CB 3.32Å; L401-A405 PolarHBondContact O-N 3.47Å; K402-A405 CarbonylContact O-C 3.41Å; K402-A405 WeakPolarHBondContact O-CB 3.41Å; K402-A405 PolarHBondContact O-N 3.3Å; A405-I407 VanDerWaalsContact C-N 3.3Å; A405-I407 PolarHBondContact O-N 3.34Å; A405-A408 WeakPolarHBondContact O-CB 3.17Å; A405-A408 PolarHBondContact O-N 3.04Å; A405-E409 PolarHBondContact O-N 3.05Å
406D64.4Low59.3Low84 Ų84111 Ų11145%0.44959%0.59SS.*Hα-helixtrans-57.3-42.2176.8-58.8-25.7000111K402 A410K402-D406 PolarHBondContact O-N 3.21Å; D406-A410 VanDerWaalsContact O-CB 3.28Å; D406-A410 WeakPolarHBondContact O-CB 3.45Å; D406-A410 PolarHBondContact O-N 2.96Å
407I71.4Confident58.3Low100 Ų100116.8 Ų116.851%0.51360%0.603SS.*Hα-helixtrans-68.2-38175.7-72.3167.6000111.6R403 A405 L411R403-I407 HydrophobicContact CG-CD1 4.33Å; R403-I407 WeakPolarHBondContact O-CB 3.47Å; R403-I407 WeakPolarHBondContact O-CD1 3.43Å; R403-I407 WeakPolarHBondContact O-CG1 3.38Å; R403-I407 PolarHBondContact O-N 3.07Å; R403-I407 VanDerWaalsContact O-N 3.12Å; A405-I407 VanDerWaalsContact C-N 3.3Å; A405-I407 PolarHBondContact O-N 3.34Å; I407-L411 HydrophobicContact CG2-CD1 4.09Å; I407-L411 VanDerWaalsContact O-CG 3.28Å; I407-L411 WeakPolarHBondContact O-CG 3.46Å; I407-L411 PolarHBondContact O-N 2.67Å; I407-L411 VanDerWaalsContact O-N 3.13Å
408A67.8Low57Low47 Ų47118 Ų11839%0.38863%0.63SS.*Hα-helixtrans-65.8-44.5175.900000111.7A404 A405 L411 Y412A404-A408 WeakPolarHBondContact O-CB 3.38Å; A404-A408 PolarHBondContact O-N 3.41Å; A405-A408 WeakPolarHBondContact O-CB 3.17Å; A405-A408 PolarHBondContact O-N 3.04Å; A408-L411 PolarHBondContact O-N 2.91Å; A408-Y412 WeakPolarHBondContact O-CD2 3.46Å; A408-Y412 PolarHBondContact O-N 2.7Å; A408-Y412 VanDerWaalsContact O-N 3.14Å
409E63.9Low55.8Low138 Ų138118.1 Ų118.165%0.64563%0.63SS**Hα-helixtrans-68.4-38.2178.9-168172.3-121.800112A405 L411 Y412 T413A405-E409 PolarHBondContact O-N 3.05Å; E409-L411 VanDerWaalsContact C-N 3.31Å; E409-L411 PolarHBondContact O-N 3.43Å; E409-Y412 PolarHBondContact O-N 3.17Å; E409-Y412 VanDerWaalsContact O-N 3.15Å; E409-T413 HydrophobicContact CG-CG2 4.4Å; E409-T413 WeakPolarHBondContact O-CG2 3.17Å; E409-T413 PolarHBondContact O-N 3.37Å; E409-T413 PolarHBondContact O-OG1 2.73Å
410A58.3Low54.5Low51 Ų51117.8 Ų117.842%0.42163%0.632SS.*Hα-helixtrans-58.7-41.1171.600000112.3D406 Y412 T413 T414D406-A410 VanDerWaalsContact O-CB 3.28Å; D406-A410 WeakPolarHBondContact O-CB 3.45Å; D406-A410 PolarHBondContact O-N 2.96Å; A410-Y412 VanDerWaalsContact C-N 3.31Å; A410-Y412 PolarHBondContact O-N 2.7Å; A410-T413 WeakPolarHBondContact CA-OG1 3.33Å; A410-T413 PolarHBondContact O-N 3.26Å; A410-T413 PolarHBondContact O-OG1 3.21Å; A410-T414 PolarHBondContact O-N 2.87Å
411L58.9Low53.1Low130 Ų130121.5 Ų121.568%0.68165%0.647SS**Hα-helixtrans-71.5-22.1177-71.8169.1000113.7I407 A408 E409I407-L411 HydrophobicContact CG2-CD1 4.09Å; I407-L411 VanDerWaalsContact O-CG 3.28Å; I407-L411 WeakPolarHBondContact O-CG 3.46Å; I407-L411 PolarHBondContact O-N 2.67Å; I407-L411 VanDerWaalsContact O-N 3.13Å; A408-L411 PolarHBondContact O-N 2.91Å; E409-L411 VanDerWaalsContact C-N 3.31Å; E409-L411 PolarHBondContact O-N 3.43Å
412Y53.3Low51.4Low205 Ų205124 Ų12480%0.80466%0.659SS**Hα-helixtrans-87.7-19.4174.6-93.2-79.1000114A408 E409 A410A408-Y412 WeakPolarHBondContact O-CD2 3.46Å; A408-Y412 PolarHBondContact O-N 2.7Å; A408-Y412 VanDerWaalsContact O-N 3.14Å; E409-Y412 PolarHBondContact O-N 3.17Å; E409-Y412 VanDerWaalsContact O-N 3.15Å; A410-Y412 VanDerWaalsContact C-N 3.31Å; A410-Y412 PolarHBondContact O-N 2.7Å
413T50.8Low49.9Very low99 Ų99121.3 Ų121.361%0.60766%0.664SS**Hα-helixtrans-97-18.7-174.9460000114.4E409 A410 V415E409-T413 HydrophobicContact CG-CG2 4.4Å; E409-T413 WeakPolarHBondContact O-CG2 3.17Å; E409-T413 PolarHBondContact O-N 3.37Å; E409-T413 PolarHBondContact O-OG1 2.73Å; A410-T413 WeakPolarHBondContact CA-OG1 3.33Å; A410-T413 PolarHBondContact O-N 3.26Å; A410-T413 PolarHBondContact O-OG1 3.21Å; T413-V415 VanDerWaalsContact C-N 3.26Å; T413-V415 PolarHBondContact O-N 3.35Å
414T49.1Very low48.1Very low109 Ų109117.9 Ų117.967%0.66967%0.668SS**  trans-79.362.2178.256.10000114A410A410-T414 PolarHBondContact O-N 2.87Å
415V43Very low46.4Very low107 Ų107123.4 Ų123.465%0.64869%0.688SS**  trans-131.2115.5165-178.40000109.1T413 R417T413-V415 VanDerWaalsContact C-N 3.26Å; T413-V415 PolarHBondContact O-N 3.35Å; V415-R417 PolarHBondContact O-N 3.2Å
416P38.4Very low44.5Very low131 Ų131124.2 Ų124.285%0.85170%0.702SS**  trans-72.2117.8-175.925.9-30.2000111.6
417R37Very low42.7Very low235 Ų235125.5 Ų125.589%0.88772%0.718SS**  trans-108.7124.6164.8-89.5-172.6162.6109.6-3.1110.1V415V415-R417 PolarHBondContact O-N 3.2Å
418G31.1Very low40.5Very low79 Ų79126.2 Ų126.281%0.81473%0.732SS**  trans-65.6155167.100000111.8
419H33.3Very low38.6Very low169 Ų169129.4 Ų129.478%0.78275%0.751SS**  trans-95163.7-176.6-166.971.5000112.2
420N31Very low36.9Very low130 Ų130129.6 Ų129.670%0.69576%0.761SS**  trans74.4132.1-176.4-57.5-52.5000114.6
421Q33.4Very low35.6Very low185 Ų185136.1 Ų136.186%0.86478%0.783SS**  cis-133.4176.19.4-67.4-173.6-3.900114.1
422L31.7Very low34.1Very low166 Ų166134.7 Ų134.787%0.86979%0.79SS**  trans-57.1169.8175.9-82.758.9000115
423A29.9Very low33.1Very low88 Ų88128.8 Ų128.873%0.72779%0.791SS**  cis179.6173.2-25.600000111
424S28.5Very low32.2Very low107 Ų107133 Ų13375%0.74881%0.806SS**  trans95.7140150.5-147.90000120.7
425L31.4Very low31.3Very low173 Ų173137.1 Ų137.191%0.90682%0.82SS**  trans63.1136.6167.8-62.9159.6000118.9
426G27.3Very low30.7Very low75 Ų75136.8 Ų136.877%0.77383%0.829SS**  cis154.266.6-11.900000117.7
427S26.3Very low30.2Very low112 Ų112136.8 Ų136.878%0.78383%0.826SS**  trans-169.2110.8162-156.90000109.8
428S25.6Very low29.8Very low115 Ų115133.4 Ų133.480%0.80483%0.826SS**  81.510075.4-59.20000116
429S28.4Very low29.6Very low114 Ų114134 Ų13480%0.79782%0.817SS**  trans-160.1128.5148.362.70000114.4
430V28.8Very low29.3Very low141 Ų141135.9 Ų135.986%0.85582%0.824SS**  trans41.8128.4159.2-1080000123
431H29.6Very low29.1Very low188 Ų188136 Ų13687%0.8783%0.83SS**PPolyproline II helixtrans-92.4156.1152.5-99.336.8000110.8
432A28.6Very low28.7Very low101 Ų101130.9 Ų130.984%0.83583%0.826SS**PPolyproline II helixtrans-95.3140.6168.200000111.2
433G31.7Very low28.4Very low81 Ų81128.2 Ų128.284%0.83582%0.821SS**PPolyproline II helixtrans-89.1147.7-178.200000113.9
434M31.7Very low28.2Very low187 Ų187133.1 Ų133.192%0.92183%0.829SS**PPolyproline II helixtrans-79.6155171.1-62.4173.7175.400111.4
435M30.5Very low28.1Very low195 Ų195134.5 Ų134.596%0.96183%0.833SS**  trans-125.9124.2160.2-75-70.5-94.900108.5
436A29.4Very low27.9Very low100 Ų100130.1 Ų130.183%0.82682%0.822SS**  trans-114143.5178.100000110.3
437V29.8Very low27.9Very low131 Ų131134.8 Ų134.879%0.79482%0.823SS**  trans-85.8142.7174.31790000109
438N27.3Very low27.8Very low164 Ų164135.2 Ų135.288%0.87782%0.821SS**  trans-149.3138.3158.7-112.4-17.6000111.2
439S27.2Very low27.9Very low92 Ų92134.3 Ų134.364%0.64382%0.821SS**  trans-114145.3168.1-62.70000108
440F26.7Very low27.8Very low208 Ų208136 Ų13691%0.91282%0.821SS**  trans178.3-178.9133.5-97.4-61.5000110.6
441T26.5Very low27.9Very low134 Ų134138 Ų13882%0.82282%0.821SS**  trans-122153.8-156.352.20000113.1
442G25.6Very low27.7Very low76 Ų76131.8 Ų131.878%0.78481%0.808SS**  trans143.9122.6153.800000116.4
443S26Very low27.8Very low111 Ų111137 Ų13778%0.77681%0.813SS**  trans-48.4149.5165.447.30000116.6
444E25.2Very low27.6Very low191 Ų191137.7 Ų137.789%0.89380%0.804SS**  -168.8-159.2106.3-102.9-169.9178.300113.4
445V25.8Very low27.5Very low136 Ų136140.7 Ų140.782%0.82481%0.805SS**  trans-130.6165.2-146.8-177.40000113.1
446A27.5Very low27.5Very low81 Ų81136.8 Ų136.867%0.66980%0.797SS**  trans77.6160.2164.700000116.6
447Q26.6Very low27.3Very low172 Ų172139.1 Ų139.180%0.80480%0.801SS**  cis-160.7168.6-23.7-112.9176.84.500109.7
448T25.1Very low27.3Very low121 Ų121138.3 Ų138.374%0.74280%0.802SS**  trans47.1104.6152.353.20000122.1
449A27Very low27.4Very low96 Ų96136.2 Ų136.279%0.79380%0.8SS**  68.5133.7110.500000124
450N27.5Very low27.5Very low150 Ų150138.3 Ų138.380%0.80281%0.808SS**  113.1150.3125.6-142-0.7000119.2
451Q29.7Very low27.9Very low182 Ų182133.4 Ų133.485%0.8580%0.8SS**  trans68.5142.6176.1-48.4-176.120.900117.5
452G25.9Very low28.8Very low59 Ų59133.2 Ų133.261%0.60880%0.801SS**  cis155.4110-15.500000115.7
453F30.7Very low29.1Very low211 Ų211138.6 Ų138.693%0.92581%0.805SS**  trans62.6157.8165.5-62-93.9000117.8
454S28.9Very low29.1Very low94 Ų94136.6 Ų136.666%0.65780%0.802SS**  cis-169.2156.4-32.158.90000110.7
455R28.7Very low29.3Very low250 Ų250137.6 Ų137.694%0.94380%0.799SS**  trans-169.1141.1139.5-106.5166.8-164-123.71.1109.8
456S30.5Very low29.4Very low113 Ų113137.3 Ų137.379%0.7980%0.798SS**  trans-132.9150.6-171.4-48.10000110.9
457T25.2Very low30.2Very low149 Ų149139 Ų13991%0.91480%0.802SS**  trans-157.1146.3141.226.70000109.2
458S30Very low30.2Very low115 Ų115136.4 Ų136.480%0.80480%0.802SS**  trans-133.1164.4179.852.60000110.4
459S29Very low30.5Very low120 Ų120136.2 Ų136.284%0.83981%0.806SS**  trans-146.4151.5164.256.30000109.9
460V30.5Very low30.7Very low135 Ų135137.5 Ų137.582%0.81880%0.804SS**  trans-135.9154-166.9171.60000110.1
461S34.8Very low31.4Very low105 Ų105136.2 Ų136.273%0.73480%0.804SS**  trans-62173.5-178.9-35.40000115.4
462P44.7Very low31.4Very low131 Ų131135.5 Ų135.585%0.85180%0.801SS**  -144.2-176.4119.536.8-20.7000117
463H32.3Very low31.7Very low188 Ų188141.8 Ų141.887%0.8781%0.814SS**  trans-82.1171.7-163.1-76.7-93.6000119.2
464G26Very low31.6Very low69 Ų69135.3 Ų135.371%0.71181%0.808SS**  trans-154.1160.5155.800000112.3
465Y29.9Very low31.6Very low212 Ų212136.5 Ų136.583%0.83182%0.816SS**  trans-152.8125.3-167.8-123.2-116.1000114.1
466V27.9Very low31.5Very low130 Ų130136 Ų13679%0.78882%0.816SS**  trans52174.4158.1-89.80000120.6
467P42.4Very low31.5Very low118 Ų118135.7 Ų135.777%0.76681%0.813SS**  cis-133163.4-4.438.4-20.1000119.2
468S28.1Very low31.7Very low116 Ų116134.3 Ų134.381%0.81181%0.81SS**  trans35.2132.8137.4-1640000125.4
469S30.2Very low31.6Very low118 Ų118135.5 Ų135.583%0.82581%0.812SS**  trans-159.9148.1144.462.20000113.3
470T32.4Very low31.6Very low122 Ų122135.2 Ų135.275%0.74881%0.81SS**  trans-114.3164.2176.7540000112.8
471P41.8Very low31.7Very low123 Ų123135 Ų13580%0.79981%0.809SS**  -131.8158.197.713.78.4000112.6
472Q30.5Very low31.5Very low168 Ų168135.8 Ų135.879%0.78581%0.814SS**  cis89.3140.740.1-90.3-77.25.200115.5
473Q30.6Very low30.8Very low190 Ų190137 Ų13789%0.88881%0.811SS**  trans67.3150.7-174.3-53-171.87.900117.1
474G29.6Very low30.9Very low76 Ų76135.1 Ų135.178%0.78481%0.807SS**  cis176.3136.8-7.900000112.4
475S28.7Very low30.9Very low119 Ų119135.6 Ų135.683%0.83281%0.812SS**  trans-81.4148-174.9-47.90000113.8
476Y27.5Very low30.9Very low239 Ų239137 Ų13794%0.93782%0.818SS**  trans-155.3161.3142.4-113.1-73.9000112.4
477S28.9Very low30.9Very low106 Ų106135.9 Ų135.974%0.74182%0.822SS**  trans-127.2143.6-170.356.90000112.7
478S29Very low30.4Very low120 Ų120137.4 Ų137.484%0.83982%0.823SS**  trans-155.1141.1161.757.10000112.7
479V29.5Very low30.5Very low140 Ų140136.7 Ų136.785%0.84882%0.819SS**  trans-99139.8173.4173.80000109.3
480S29Very low30.5Very low114 Ų114135.1 Ų135.180%0.79782%0.821SS**  trans-155.8124.6160.959.10000112.3
481T31.2Very low30.3Very low132 Ų132138.6 Ų138.681%0.8183%0.831SS**  trans-98.7139177.2-40.80000110.7
482S31.8Very low29.8Very low120 Ų120137.5 Ų137.584%0.83983%0.832SS**  trans-159.1158.4160.252.70000112
483M30.5Very low29.7Very low157 Ų157135.3 Ų135.377%0.77383%0.831SS**  trans-109.7160.8-171.3-63.4173.266.300113.4
484N32.7Very low29.7Very low149 Ų149134.5 Ų134.580%0.79783%0.832SS**  trans49.7122.5147.6-67.1-3000120.9
485G27.2Very low29.6Very low79 Ų79133.7 Ų133.781%0.81482%0.823SS**  trans-156.5124.6155.500000111.1
486Y30.3Very low29.5Very low242 Ų242134.5 Ų134.595%0.94982%0.823SS**  trans-87.6133.8174.5-87.8-108.7000110.7
487A27.8Very low29.7Very low106 Ų106128.4 Ų128.488%0.87682%0.815SS**  trans-161.2153.8148.900000112.2
488N30.9Very low30.1Very low149 Ų149129.2 Ų129.280%0.79782%0.818SS**  trans-93.3161-165.4-171.726.9000114.5
489S29.5Very low30Very low102 Ų102131 Ų13171%0.71382%0.818SS**  trans54119.2147.859.90000121.7
490G30.1Very low29.9Very low84 Ų84134.3 Ų134.387%0.86682%0.822SS**  trans-170.9130156.400000110.7
491M29.4Very low29.9Very low195 Ų195137.3 Ų137.396%0.96183%0.828SS**  trans-124.9117.6-174.6-173.2170.386.100111.6
492A30.5Very low29.7Very low101 Ų101138.1 Ų138.184%0.83583%0.827SS**  trans-150.4156.4171.700000111.3
493T28.7Very low29.5Very low122 Ų122135.9 Ų135.975%0.74882%0.823SS**  trans-100.4173-16740.60000114.1
494L30.2Very low29.4Very low173 Ų173133.6 Ų133.691%0.90682%0.823SS**  trans70.1147.4177.4-55.8107.3000115.5
495G27.7Very low29.2Very low59 Ų59131.6 Ų131.661%0.60883%0.827SS**  cis178.9155.6-7.900000113.3
496T27.4Very low29.2Very low135 Ų135131 Ų13183%0.82882%0.82SS**  trans37.9112.8157.645.10000121.1
497S30.5Very low29.1Very low111 Ų111127.4 Ų127.478%0.77682%0.818SS**  55.4138.3126.8-470000120.8
498P38.1Very low29.1Very low123 Ų123127.7 Ų127.780%0.79981%0.813SS**  -146.6159.588.938.7-23000117.8
499N26.7Very low29.2Very low158 Ų158125.3 Ų125.385%0.84581%0.806SS**  trans5.4133.1158.8-58.72.3000121.6
500F28.3Very low29.1Very low209 Ų209131.3 Ų131.392%0.91781%0.814SS**PPolyproline II helixtrans-77.5150.2157.4-76.2-102.3000111.9
501L28.6Very low28.9Very low178 Ų178131 Ų13193%0.93280%0.804SS**PPolyproline II helixtrans-93.4145.6164.8-83.2166.1000111.1
502N27.9Very low28.9Very low148 Ų148129.2 Ų129.279%0.79180%0.797SS**PPolyproline II helixtrans-84.4143.9177.6-175.615.1000110.9
503G27Very low29Very low73 Ų73130.6 Ų130.675%0.75379%0.794SS**  trans-143.2109.8176.400000110.6
504S28.7Very low29.8Very low109 Ų109130.2 Ų130.276%0.76279%0.794SS**  trans-93146.1-170.6-50.90000113.6
505A28.1Very low29.7Very low108 Ų108127.3 Ų127.389%0.89379%0.788SS**  trans-142.8145.1157.900000108.6
506G27.4Very low29.8Very low65 Ų65129.8 Ų129.867%0.6780%0.796SS**  trans-146.7-171.8-177.700000112.2
507N27.5Very low30.2Very low168 Ų168129.4 Ų129.490%0.89880%0.796SS**  trans72.1138.9-173.9-56.7-24.1000113.4
508S28.6Very low30.1Very low111 Ų111130.5 Ų130.578%0.77680%0.798SS**  cis-149.1-145.30.5480000111.7
509P32.4Very low29.5Very low99 Ų99133.5 Ų133.564%0.64380%0.804SS**  -121.2170-121.235.4-15.2000116
510Y27.3Very low29.5Very low228 Ų228130.4 Ų130.489%0.89480%0.8SS**  171.3162.6122.5-102.9-78.3000112.9
511A26.1Very low29.4Very low79 Ų79125.8 Ų125.865%0.65379%0.794SS**  trans-86.6135.7-173.200000112.6
512I29.8Very low29.3Very low156 Ų156122.9 Ų122.980%0.879%0.788SS**  68.4104.188.8-58.6170.3000114.6
513V31Very low29.3Very low130 Ų130121.3 Ų121.379%0.78878%0.784SS**  trans6.3173.8145.1-62.60000121.7
514P46.1Very low29.4Very low115 Ų115122.3 Ų122.375%0.74778%0.78SS**  cis-125.5-168.15.826.70.9000113
515S28.8Very low29.3Very low112 Ų112125 Ų12578%0.78379%0.785SS**  cis-167163.546.6-63.10000114.8
516S29.6Very low29.2Very low110 Ų110123.6 Ų123.677%0.76977%0.773SS**  trans-86.8179.8175.5-430000113.5
517P34.7Very low29.2Very low128 Ų128125.3 Ų125.383%0.83178%0.775SS**  trans-113.4152.4137.335.5-31.6000112.5
518T28.3Very low29.2Very low134 Ų134124.7 Ų124.782%0.82277%0.771SS**  trans-96.4155.6-176.6-41.30000111.5
519M27.2Very low29.1Very low186 Ų186125 Ų12592%0.91677%0.772SS**  trans-138148.3154.1-109.8-61.7-173.300110.3
520A25.9Very low28.8Very low92 Ų92125.2 Ų125.276%0.7678%0.776SS**  trans-113.7179.8-167.500000113.5
521S25.6Very low28.9Very low112 Ų112120.7 Ų120.778%0.78378%0.778SS**  trans-96.1-177.9-162.1-45.10000115.7
522S27.4Very low28.9Very low117 Ų117122.1 Ų122.182%0.81878%0.783SS**  trans77154170.480.20000115.5
523T27.6Very low28.8Very low115 Ų115120.4 Ų120.471%0.70679%0.785SS**  cis-140.7124.59.642.10000109.6
524S28.3Very low28.7Very low94 Ų94118 Ų11866%0.65779%0.787SS**  64.4133.688.575.30000118.9
525L27.6Very low27.9Very low167 Ų167119.9 Ų119.987%0.87479%0.789SS**  trans76.6148.6166.3-58.4142.4000117.4
526A25.4Very low27.8Very low77 Ų77124.5 Ų124.564%0.63680%0.795SS**  cis-167.7155.3-2100000115
527S28.4Very low27.7Very low102 Ų102124 Ų12471%0.71379%0.791SS**  trans74.5141140.766.60000124.8
528N27.3Very low27.3Very low154 Ų154127.7 Ų127.782%0.82480%0.795SS**  trans59.4142.6160-61.5-11.1000118.6
529C25.5Very low27.1Very low117 Ų117126.5 Ų126.579%0.79179%0.792SS**  cis-136.2151.817.951.10000110.8
530S26.1Very low27.8Very low105 Ų105123.3 Ų123.373%0.73479%0.785SS**  73.691.457.7-45.60000116
531S29.5Very low27.9Very low132 Ų132123.4 Ų123.492%0.92379%0.786SS**  trans-174.7169.3141.142.10000110.9
532S26Very low28.2Very low110 Ų110125 Ų12577%0.76979%0.786SS**  trans-142.9169.1-161.2-174.40000113.4
533S29.2Very low28.2Very low120 Ų120127.3 Ų127.384%0.83979%0.786SS**  trans70.7134.6158.662.10000119.3
534G27.7Very low28.3Very low80 Ų80128.3 Ų128.383%0.82579%0.791SS**  trans169.860.2-178.700000112.2
535I30.6Very low28.2Very low153 Ų153129.5 Ų129.579%0.78580%0.799SS**  trans-93.4125.3179.9-54.2167000109.2
536F25.7Very low28.3Very low210 Ų210126.2 Ų126.292%0.92180%0.796SS**  trans-161.3142.2143.2-88.2-59.6000110.7
537S26.7Very low28.7Very low98 Ų98127.7 Ų127.769%0.68581%0.809SS**  trans-111.4152169.2-59.40000109.1
538F26.5Very low29Very low206 Ų206128.9 Ų128.990%0.90481%0.811SS**  trans178.8167.4134.1-90.2-55.8000111.3
539S25.7Very low29.2Very low110 Ų110130.9 Ų130.977%0.76981%0.813SS**  trans-155.4172.3177.7-67.70000106.6
540P41.6Very low29.4Very low118 Ų118134.6 Ų134.677%0.76682%0.818SS**  cis-140.3-168.513.643.7-24.7000115.9
541A28.6Very low29.8Very low94 Ų94139.1 Ų139.178%0.77783%0.825SS**  trans69.9154.8168.300000116.7
542N30.3Very low29.9Very low147 Ų147137.8 Ų137.879%0.78682%0.816SS**  cis-142-171.311.3-149.3-8.1000113.2
543M27.8Very low30.3Very low165 Ų165137.1 Ų137.181%0.81382%0.817SS**  trans-57.7149.6-170.8-53.7178.7-170.100117.7
544V29.4Very low30.6Very low136 Ų136140.6 Ų140.682%0.82482%0.817SS**  175.3144.8104.7156.30000112.4
545S27.5Very low30.9Very low118 Ų118141.2 Ų141.283%0.82582%0.815SS**  trans-23.8127.9174.9-50.50000121
546A29.5Very low31.2Very low98 Ų98139.5 Ų139.581%0.8181%0.813SS**  trans-150.5139.2149.800000111.2
547A33.6Very low31.5Very low109 Ų109136.3 Ų136.390%0.90181%0.81SS**  trans-94.3131.2-178.400000112.2
548V34.1Very low31.9Very low126 Ų126137.8 Ų137.876%0.76482%0.815SS**  trans-127.1118.4178.3-179.50000111.3Q550V548-Q550 PolarHBondContact O-N 2.8Å
549K31.3Very low32.2Very low197 Ų197138.8 Ų138.886%0.85781%0.813SS**PPolyproline II helixtrans-66.4118.2165.2-72172.9174.3172.40109.1K551K549-K551 PolarHBondContact O-N 3.09Å
550Q30.2Very low32.5Very low194 Ų194139.4 Ų139.491%0.90782%0.815SS**PPolyproline II helixtrans-70.2128.6162.1-71.8-157.5-18.400109.7V548V548-Q550 PolarHBondContact O-N 2.8Å
551K33.9Very low32Very low201 Ų201142.8 Ų142.887%0.87482%0.82SS**PPolyproline II helixtrans-86.4151.4179.3-77.1-176.6175.3176.70111.1K549K549-K551 PolarHBondContact O-N 3.09Å
552S33.1Very low32.2Very low104 Ų104146.1 Ų146.173%0.72783%0.825SS**PPolyproline II helixtrans-58.9141.8171.9-176.90000112.3
553A32.9Very low32.4Very low96 Ų96144.4 Ų144.479%0.79382%0.824SS**  trans-96.385.4171.100000110.6
554F35.8Very low33Very low192 Ų192142.1 Ų142.184%0.84282%0.822SS**  trans-142.7120.8164.4-96.5-81.7000109.7
555A35.2Very low33.4Very low94 Ų94141.1 Ų141.178%0.77782%0.818SS**PPolyproline II helixtrans-82.7137.8176.300000110.8
556P36.5Very low33.9Very low116 Ų116141.4 Ų141.475%0.75382%0.817SS**PPolyproline II helixtrans-79.5139174.932-33.3000111.4V558P556-V558 PolarHBondContact O-N 3.31Å
557V32.4Very low34Very low143 Ų143143.2 Ų143.287%0.86782%0.819SS**PPolyproline II helixtrans-75.3119.9169.5176.40000109
558V34.7Very low33.7Very low130 Ų130144.2 Ų144.279%0.78882%0.818SS**PPolyproline II helixtrans-80.7135.7174.8179.40000109.9P556P556-V558 PolarHBondContact O-N 3.31Å
559R32.7Very low33.4Very low226 Ų226144.5 Ų144.585%0.85382%0.819SS**  trans-125.8132.3170.2-149.2178.2-162.1-174.34.9107.1
560P32.2Very low33.4Very low124 Ų124140.5 Ų140.581%0.80582%0.816SS**  trans-65.3148.2-175.726.4-34.6000111.8
561Q31.4Very low33.4Very low188 Ų188135.6 Ų135.688%0.87981%0.809SS**  trans-107.8159.2168.9-82.5-159.7-36.200111.3
562N30.9Very low33.2Very low164 Ų164133.7 Ų133.788%0.87781%0.809SS**PPolyproline II helixtrans-71.7153.9-175.3-59.91.2000112.3
563S34.5Very low33.1Very low111 Ų111132.9 Ų132.978%0.77681%0.808SS**PPolyproline II helixtrans-72.3150.7174.449.80000113.4
564P41.6Very low33Very low117 Ų117135.6 Ų135.676%0.7681%0.809SS**PPolyproline II helixtrans-75.3163.6175.732.8-36.4000113.1
565P38.5Very low32.7Very low116 Ų116131.6 Ų131.675%0.75381%0.805SS**PPolyproline II helixtrans-86.6151.4-178.334.9-35.5000113.4
566P37.9Very low32.6Very low124 Ų124133.8 Ų133.881%0.80580%0.803SS**PPolyproline II helixtrans-88.3137.9167.234.2-31.6000112
567T30.1Very low32.4Very low136 Ų136136.5 Ų136.583%0.83481%0.806SS**  trans-109.6127.2167.550.40000110.4
568C27.7Very low32.3Very low130 Ų130133.3 Ų133.388%0.87879%0.794SS**  trans-133.6156.3169.9-66.70000110.7
569T28.7Very low32.4Very low131 Ų131135 Ų13580%0.80480%0.797SS**  trans-105.2140-162.845.40000114.5
570S30.8Very low33.2Very low113 Ų113130.2 Ų130.279%0.7980%0.795SS**  trans32.4118.4147.762.20000120.9
571A29.8Very low33.3Very low91 Ų91127.7 Ų127.775%0.75279%0.791SS**  -174.2129.5118.900000113.8
572N30.7Very low33.4Very low162 Ų162126.7 Ų126.787%0.86679%0.789SS**  trans51.7157143-68.4-9.7000125
573A29.2Very low33.5Very low86 Ų86125.7 Ų125.771%0.71178%0.782SS**  trans88.685.4150.200000120.8
574N32Very low33.9Very low154 Ų154126.6 Ų126.682%0.82478%0.782SS**  62.9150.2119.8-66.8-7.6000123.5
575S29.7Very low34.6Very low107 Ų107126.2 Ų126.275%0.74878%0.78SS**  trans75.9148.3154.176.20000118.4
576L32.2Very low35.7Very low141 Ų141126.1 Ų126.174%0.73878%0.779SS**  cis-172.8149.6-35.4-112157000107
577Q32.5Very low35.9Very low173 Ų173132.6 Ų132.681%0.80880%0.802SS**  trans63.8165.1155.5-72.4165-10.600117.7
578A30.8Very low36.2Very low76 Ų76132.5 Ų132.563%0.62880%0.801SS**  cis-162.4138.9-31.200000113.2
579I36.7Very low36.6Very low164 Ų164132.6 Ų132.684%0.84180%0.797SS**  trans71.1144.5137.3-67171.5000119.9
580P49.8Very low37.1Very low127 Ų127132.7 Ų132.783%0.82580%0.796SS**  trans-117.9175.4-176.243.2-32.3000115.8
581G33.9Very low37.5Very low70 Ų70133.8 Ų133.872%0.72280%0.797SS**  trans147161.8169.600000112.6
582M32.5Very low37.9Very low167 Ų167136.5 Ų136.582%0.82380%0.799SS**  cis-168163.3-7.8-119.9-151.6-46.300111.9
583I33.6Very low38.4Very low143 Ų143134.8 Ų134.873%0.73380%0.795SS**  trans78.3163.5149.7-76172.2000119.9
584V43.3Very low39.1Very low130 Ų130138.3 Ų138.379%0.78880%0.801SS**  trans-130.5-145.7-149.9-153.60000112.3
585P56.3Low39.6Very low109 Ų109137.1 Ų137.171%0.70880%0.799SS**  trans-116.1-175-131.945.1-29.1000116.2
586P61.8Low40.5Very low114 Ų114139.6 Ų139.674%0.7480%0.803SS**  trans-134.8158.2139.638.4-26.7000112.6
587M42Very low41.2Very low261 Ų261139.5 Ų139.5100%1.28681%0.809SS**  cis-128.80-16-77.8-161.1171.600108.6

Retrieved 587 of 587 residues in 237.5 ms (Link to these results)