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Transcription factor COE1 AlphaSync

Key pioneer transcription factor of B-cell specification and commitment. Recognizes variations of the palindromic sequence 5'-ATTCCCNNGGGAATT-3'. Operates in a transcription factor network to activate B-cell-specific genes and repress genes associated with alternative cell fates. For instance, positively regulates many B-cell specific genes including BCR or CD40 while repressing genes that direct cells into alternative lineages, including GATA3 and TCF7 for the T-cell lineage. In addition to its role during lymphopoiesis, controls the thermogenic gene program in adipocytes during development and in response to environmental cold. Transcriptional activator. Recognizes variations of the palindromic sequence 5'-ATTCCCNNGGGAATT-3'.

AlphaFold DB (Q9UH73-2), UniProt , Accession A0A096NGI8, Species PAPAN (Papio anubis, Olive baboon), Gene EBF1, Length 560 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
1M41.6Very low39.1Very low222 Ų222163.5 Ų163.5100%1.09484%0.841SS**  092.70-179165.8164.700107.2
2F39.9Very low39Very low206 Ų206156.5 Ų156.590%0.90484%0.839SS**  trans56.5138.2175.7-49.2-78.6000117.9
3G39Very low38.7Very low62 Ų62154.6 Ų154.664%0.63985%0.845SS**  cis-167.1141.9-10.500000107.4
4I43.7Very low38.7Very low154 Ų154152.4 Ų152.479%0.7985%0.847SS**  60.9123.389.3-57.4167.8000110.6
5Q39.2Very low38.4Very low157 Ų157154.3 Ų154.373%0.73485%0.85SS**  -161.2150.251-150140.616.100115.9
6E37.5Very low38.1Very low160 Ų160157.2 Ų157.275%0.74885%0.851SS**  trans-4.7160144-55163.7122.900119.6
7S40.1Very low38Very low123 Ų123159.5 Ų159.586%0.8686%0.855SS**  cis-160.9167.440.555.70000114.7
8I35.4Very low37.7Very low166 Ų166159.9 Ų159.985%0.85185%0.851SS**  trans-122.6136.7177.8-133.9165.8000109.2
9Q42.5Very low37.7Very low199 Ų199157.7 Ų157.793%0.9385%0.846SS**  trans-151.7160.1164.4-117.8175.66.500112.3
10R35.8Very low37.5Very low231 Ų231158.4 Ų158.487%0.87285%0.849SS**  trans-105.1154.8-153.3-63.9177.9172.9-171.3-2.5114.6
11S35.4Very low37.4Very low119 Ų119154.1 Ų154.183%0.83284%0.843SS**  trans58.4123.9140.160.90000120.5
12G38.4Very low37.1Very low79 Ų79149.2 Ų149.281%0.81483%0.83SS**  trans179.691.3162.800000111.8
13S34.3Very low36.8Very low132 Ų132143 Ų14392%0.92382%0.824SS**  trans-77.8132.5179.5-51.20000111.8
14S38.4Very low36.7Very low124 Ų124148.1 Ų148.187%0.86783%0.833SS**  trans-148151.5153.2-163.90000110.1
15M35.5Very low36.4Very low180 Ų180146.9 Ų146.989%0.88783%0.828SS**  trans-98.1155.8-166.3-51.9-177.9-157.700113
16K32.8Very low36.4Very low201 Ų201143.4 Ų143.487%0.87483%0.827SS**  trans77.297.8141.3-165.8-177.2-176.3-1780118.4
17E35.9Very low36.4Very low197 Ų197140.8 Ų140.892%0.92182%0.821SS**  -151.4142.1127.6-121.3178.4157.900110.3
18E32.9Very low36.3Very low166 Ų166144.4 Ų144.478%0.77682%0.816SS**  trans-121.2129.9-179.1-171.8-164.4-173.400109.6
19P37.1Very low36.4Very low118 Ų118141.1 Ų141.177%0.76680%0.804SS**  trans-83.9122.3166.4-1.219.8000110.4G21P19-G21 PolarHBondContact O-N 3.06Å
20L33.7Very low36.2Very low171 Ų171140.6 Ų140.690%0.89579%0.793SS**SBendtrans-60.8127.5176.1-65.386.3000111.1
21G36Very low36.2Very low70 Ų70136.5 Ų136.572%0.72279%0.786SS**  trans140.754.4160.800000119P19P19-G21 PolarHBondContact O-N 3.06Å
22S35.9Very low36.4Very low119 Ų119138.3 Ų138.383%0.83278%0.781SS**  trans-151.6-1163.6-99.30000117.7M24S22-M24 PolarHBondContact O-N 2.89Å
23G33.3Very low36.4Very low75 Ų75138 Ų13877%0.77378%0.778SS**THydrogen-bonded Turntrans-73.5-6.5-167.900000118.3
24M38Very low37.5Very low169 Ų169134.5 Ų134.583%0.83376%0.757SS**THydrogen-bonded Turntrans-112.7-0.7-165.1-79.9176.8159.700116.9S22S22-M24 PolarHBondContact O-N 2.89Å
25N36.6Very low39.2Very low128 Ų128131.2 Ų131.268%0.68474%0.743SS**SBendtrans-92.2-20178.4-84.7-20.9000114.8V27N25-V27 VanDerWaalsContact C-N 3.25Å; N25-V27 PolarHBondContact O-N 2.69Å
26A39.9Very low41.6Very low85 Ų85125.8 Ų125.870%0.70272%0.72SS**THydrogen-bonded Turntrans-66.3-24.2-178.500000114
27V37.3Very low44.4Very low104 Ų104119.1 Ų119.163%0.6369%0.693SS**THydrogen-bonded Turntrans-95.9-0.1-172.3-171.50000112.9N25 W30N25-V27 VanDerWaalsContact C-N 3.25Å; N25-V27 PolarHBondContact O-N 2.69Å; V27-W30 PolarHBondContact O-NE1 2.94Å
28R37.4Very low47.1Very low200 Ų200113.4 Ų113.476%0.75567%0.669SS**THydrogen-bonded Turntrans-98.3-16.3175.7-72.2-170.9-176.5-124.92.3114.8W30R28-W30 PolarHBondContact O-N 3.49Å
29T36.8Very low49.9Very low96 Ų96106.3 Ų106.359%0.58964%0.639SS**G310 helixtrans-70.9-29.6-172.5-42.80000113.8M31T29-M31 VanDerWaalsContact C-N 3.29Å; T29-M31 PolarHBondContact O-N 3.34Å
30W39.1Very low52.5Low189 Ų189106.8 Ų106.872%0.71664%0.635SS**G310 helixtrans-78.5-6.4-176.869.2-80.2000114.7V27 R28V27-W30 PolarHBondContact O-NE1 2.94Å; R28-W30 PolarHBondContact O-N 3.49Å
31M35.9Very low55.3Low145 Ų145101.4 Ų101.471%0.71461%0.61SS**G310 helixtrans-108.52.9176.4-63.5-169.88300113.8T29 G33T29-M31 VanDerWaalsContact C-N 3.29Å; T29-M31 PolarHBondContact O-N 3.34Å; M31-G33 PolarHBondContact O-N 2.66Å
32Q38.8Very low57.9Low157 Ų15798.1 Ų98.173%0.73458%0.576SS**SBendtrans-75.4111.6165.8-76.4-176.4-20.600108.7A34Q32-A34 PolarHBondContact O-N 3.47Å; Q32-A34 VanDerWaalsContact O-N 3.16Å
33G39.7Very low60.5Low73 Ų7394 Ų9475%0.75355%0.549SS*.  trans-52.3122.8173.600000109.8M31 G35M31-G33 PolarHBondContact O-N 2.66Å; G33-G35 PolarHBondContact O-N 2.75Å
34A56Low63.2Low57 Ų5798.3 Ų98.347%0.47155%0.549SS..  trans-47114.1-164.800000112.3Q32Q32-A34 PolarHBondContact O-N 3.47Å; Q32-A34 VanDerWaalsContact O-N 3.16Å
35G74.5Confident65.6Low56 Ų5694.6 Ų94.658%0.57754%0.539SS*.  trans-58147.6177.200000111G33 L37G33-G35 PolarHBondContact O-N 2.75Å; G35-L37 PolarHBondContact O-N 3.4Å
36V87.1Confident68.1Low65 Ų6590.2 Ų90.239%0.39452%0.524SS..  trans-72.5115.5174.7-173.50000107.9Q113 R121 E123V36-Q113 HydrophobicContact CG1-CG 4.3Å; V36-Q113 HydrophobicContact CG2-CG 4.5Å; V36-R121 HydrophobicContact CG2-CB 4.22Å; V36-E123 HydrophobicContact CG1-CB 3.86Å
37L91Very high70.7Confident62 Ų6286.8 Ų86.833%0.32549%0.494SS..EExtended strand (participates in β ladder)trans-79.8154.4175-60.8176.8000110.2G35 T41 A42 I120 R121 T122 E123G35-L37 PolarHBondContact O-N 3.4Å; L37-T41 HydrophobicContact CD2-CG2 4.43Å; L37-A42 HydrophobicContact CB-CB 4.42Å; L37-I120 HydrophobicContact CD1-CG2 3.87Å; L37-R121 PolarHBondContact N-O 3.47Å; L37-T122 CarbonylContact O-C 3.56Å; L37-T122 WeakPolarHBondContact O-CA 3.39Å; L37-E123 PolarHBondContact O-N 2.91Å
38D91.7Very high73.4Confident76 Ų7682.2 Ų82.241%0.40647%0.468SS..EExtended strand (participates in β ladder)trans-74.5157.8163.873.684.3000110.9N40 T41 A42D38-N40 VanDerWaalsContact C-N 3.29Å; D38-N40 PolarHBondContact O-N 2.95Å; D38-N40 WeakPolarHBondContact OD1-CA 3.45Å; D38-N40 WeakPolarHBondContact OD1-CB 3.31Å; D38-N40 PolarHBondContact OD1-N 3.2Å; D38-T41 PolarHBondContact O-N 3.06Å; D38-T41 PolarHBondContact OD1-N 2.88Å; D38-T41 PolarHBondContact OD1-OG1 3.41Å; D38-T41 VanDerWaalsContact OD2-CB 3.23Å; D38-T41 WeakPolarHBondContact OD2-CB 3.16Å; D38-T41 PolarHBondContact OD2-OG1 2.87Å; D38-A42 WeakPolarHBondContact O-CB 3.25Å; D38-A42 PolarHBondContact O-N 2.89Å
39A91.5Very high76.2Confident18 Ų1873.5 Ų73.515%0.14944%0.437CS..Hα-helixtrans-60.7-30.9-178.200000114.7A43 E123A39-A43 WeakPolarHBondContact O-CB 3.26Å; A39-A43 PolarHBondContact O-N 2.86Å; A39-E123 PolarHBondContact N-O 3.09Å
40N91.5Very high79Confident127 Ų12770.5 Ų70.568%0.67942%0.421SS*.Hα-helixtrans-75.9-43.7-178.8-65.7-39.2000110.9D38 A43 Q44D38-N40 VanDerWaalsContact C-N 3.29Å; D38-N40 PolarHBondContact O-N 2.95Å; D38-N40 WeakPolarHBondContact OD1-CA 3.45Å; D38-N40 WeakPolarHBondContact OD1-CB 3.31Å; D38-N40 PolarHBondContact OD1-N 3.2Å; N40-A43 PolarHBondContact O-N 3.34Å; N40-Q44 PolarHBondContact O-N 2.76Å
41T92.4Very high81.8Confident59 Ų5968.8 Ų68.836%0.36242%0.415SS..Hα-helixtrans-61.1-45.3174-61.40000110.8L37 D38 A43 Q44L37-T41 HydrophobicContact CD2-CG2 4.43Å; D38-T41 PolarHBondContact O-N 3.06Å; D38-T41 PolarHBondContact OD1-N 2.88Å; D38-T41 PolarHBondContact OD1-OG1 3.41Å; D38-T41 VanDerWaalsContact OD2-CB 3.23Å; D38-T41 WeakPolarHBondContact OD2-CB 3.16Å; D38-T41 PolarHBondContact OD2-OG1 2.87Å; T41-A43 VanDerWaalsContact C-N 3.33Å; T41-A43 PolarHBondContact O-N 3.29Å; T41-Q44 WeakPolarHBondContact O-CB 3.46Å; T41-Q44 PolarHBondContact O-N 2.97Å
42A91.8Very high84.7Confident1 Ų162 Ų621%0.00838%0.382CS..Hα-helixtrans-62.1-38.417500000112.8L37 D38 Q44 S45 G46 V47 T122L37-A42 HydrophobicContact CB-CB 4.42Å; D38-A42 WeakPolarHBondContact O-CB 3.25Å; D38-A42 PolarHBondContact O-N 2.89Å; A42-Q44 VanDerWaalsContact C-N 3.28Å; A42-Q44 PolarHBondContact O-N 3.17Å; A42-S45 CarbonylContact O-C 3.59Å; A42-S45 WeakPolarHBondContact O-CA 3.03Å; A42-S45 PolarHBondContact O-N 2.99Å; A42-G46 PolarHBondContact O-N 2.88Å; A42-V47 CarbonylContact C-O 3.53Å; A42-V47 HydrophobicContact CB-CB 4.26Å; A42-V47 PolarHBondContact O-N 3.32Å; A42-T122 HydrophobicContact CB-CG2 3.43Å; A42-T122 VanDerWaalsContact CB-CG2 3.43Å
43A91.1Very high87.5Confident32 Ų3258.1 Ų58.126%0.26436%0.363SS..Hα-helixtrans-66.3-26.2179.400000113.7A39 N40 T41 S45 G46 V47A39-A43 WeakPolarHBondContact O-CB 3.26Å; A39-A43 PolarHBondContact O-N 2.86Å; N40-A43 PolarHBondContact O-N 3.34Å; T41-A43 VanDerWaalsContact C-N 3.33Å; T41-A43 PolarHBondContact O-N 3.29Å; A43-S45 VanDerWaalsContact C-N 3.32Å; A43-G46 PolarHBondContact O-N 2.91Å; A43-V47 VanDerWaalsContact CA-O 3.26Å; A43-V47 WeakPolarHBondContact CA-O 3.38Å; A43-V47 PolarHBondContact N-O 3.25Å; A43-V47 VanDerWaalsContact N-O 3.15Å
44Q90Very high90.2Very high166 Ų16655.3 Ų55.378%0.77633%0.33SS*.Hα-helixtrans-65.5-35.4171.1-66.2174.211.400111.7N40 T41 A42 G46N40-Q44 PolarHBondContact O-N 2.76Å; T41-Q44 WeakPolarHBondContact O-CB 3.46Å; T41-Q44 PolarHBondContact O-N 2.97Å; A42-Q44 VanDerWaalsContact C-N 3.28Å; A42-Q44 PolarHBondContact O-N 3.17Å; Q44-G46 PolarHBondContact O-N 3.05Å
45S87.7Confident92Very high91 Ų9157 Ų5764%0.63633%0.328SS*.THydrogen-bonded Turntrans-80.78.7170.6-51.80000113.5A42 A43 V47A42-S45 CarbonylContact O-C 3.59Å; A42-S45 WeakPolarHBondContact O-CA 3.03Å; A42-S45 PolarHBondContact O-N 2.99Å; A43-S45 VanDerWaalsContact C-N 3.32Å; S45-V47 VanDerWaalsContact C-N 3.28Å; S45-V47 PolarHBondContact O-N 2.85Å
46G90.1Very high93Very high35 Ų3559.6 Ų59.636%0.36132%0.324SS..THydrogen-bonded Turntrans776.5-178.900000115.2A42 A43 Q44 R77A42-G46 PolarHBondContact O-N 2.88Å; A43-G46 PolarHBondContact O-N 2.91Å; Q44-G46 PolarHBondContact O-N 3.05Å; G46-R77 WeakPolarHBondContact O-CD 3.39Å
47V93.2Very high93.5Very high13 Ų1359.5 Ų59.58%0.07932%0.319CS..  trans-93.9127.3-179.8-178.80000109.9A42 A43 S45 Y116 N118 I120 T122A42-V47 CarbonylContact C-O 3.53Å; A42-V47 HydrophobicContact CB-CB 4.26Å; A42-V47 PolarHBondContact O-N 3.32Å; A43-V47 VanDerWaalsContact CA-O 3.26Å; A43-V47 WeakPolarHBondContact CA-O 3.38Å; A43-V47 PolarHBondContact N-O 3.25Å; A43-V47 VanDerWaalsContact N-O 3.15Å; S45-V47 VanDerWaalsContact C-N 3.28Å; S45-V47 PolarHBondContact O-N 2.85Å; V47-Y116 HydrophobicContact CG1-CD1 3.7Å; V47-Y116 HydrophobicContact CG1-CD2 3.62Å; V47-Y116 HydrophobicContact CG1-CE1 3.89Å; V47-Y116 HydrophobicContact CG1-CE2 3.83Å; V47-Y116 HydrophobicContact CG1-CG 3.56Å; V47-N118 WeakPolarHBondContact CG2-ND2 3.34Å; V47-I120 HydrophobicContact CG1-CG2 4.44Å; V47-I120 HydrophobicContact CG2-CD1 4.12Å; V47-T122 HydrophobicContact CG1-CG2 4.46Å
48G94.9Very high93.8Very high8 Ų856.9 Ų56.98%0.08231%0.306CS..SBendtrans170.8161.7179.400000112.4D76 R77 Y116G48-D76 WeakPolarHBondContact O-CA 3.49Å; G48-R77 PolarHBondContact O-N 2.77Å; G48-Y116 WeakPolarHBondContact CA-OH 3.35Å
49L96.2Very high94Very high18 Ų1855.7 Ų55.79%0.09430%0.302CS..EExtended strand (participates in β ladder)trans-62.9135.6171.9-63.6-175000110.5L74 V82 L114 Y116 Q124 F126 T194 L203L49-L74 HydrophobicContact CD1-CD1 4.16Å; L49-L74 HydrophobicContact CD2-CB 3.99Å; L49-L74 HydrophobicContact CD2-CD1 4.32Å; L49-V82 HydrophobicContact CD2-CB 4.29Å; L49-V82 HydrophobicContact CD2-CG1 4.33Å; L49-V82 HydrophobicContact CD2-CG2 4.06Å; L49-L114 HydrophobicContact CD1-CD1 3.93Å; L49-L114 HydrophobicContact CD2-CD1 3.85Å; L49-L114 HydrophobicContact CG-CD1 3.81Å; L49-Y116 PolarHBondContact N-OH 3.01Å; L49-Q124 HydrophobicContact CD1-CG 4.06Å; L49-F126 HydrophobicContact CD1-CD2 4.3Å; L49-F126 HydrophobicContact CD1-CE2 4.44Å; L49-T194 HydrophobicContact CB-CG2 4.39Å; L49-T194 HydrophobicContact CD1-CG2 4.39Å; L49-L203 HydrophobicContact CB-CD1 4.35Å; L49-L203 HydrophobicContact CB-CD2 3.94Å; L49-L203 HydrophobicContact CD1-CD1 3.89Å
50A96Very high94.2Very high32 Ų3257.9 Ų57.926%0.26432%0.317SS..EExtended strand (participates in β ladder)trans-115.6-35.817300000112.3Y75 D76 R77 H201A50-Y75 PolarHBondContact N-O 2.93Å; A50-D76 WeakPolarHBondContact CB-O 3.49Å; A50-R77 HydrophobicContact CB-CB 4.43Å; A50-R77 HydrophobicContact CB-CG 4.03Å; A50-H201 PolarHBondContact O-CE1 2.93Å
51R96.3Very high94.2Very high154 Ų15454.9 Ų54.958%0.58130%0.301SS*.EExtended strand (participates in β ladder)trans-148152.7-175.5176.4171.1170.8170.8-4.5111.8Y75R51-Y75 PolarHBondContact N-O 3.41Å; R51-Y75 PolarHBondContact O-N 2.77Å
52A97.1Very high94.4Very high2 Ų252.5 Ų52.52%0.01729%0.285CS..EExtended strand (participates in β ladder)trans-116.7163.1163.600000111.1L72 A73 L74 V192 L203 A204A52-L72 HydrophobicContact CB-CD1 4.42Å; A52-A73 CarbonylContact C-O 3.52Å; A52-A73 VanDerWaalsContact CA-O 3.3Å; A52-A73 WeakPolarHBondContact CA-O 3.22Å; A52-L74 HydrophobicContact CB-CD2 3.84Å; A52-V192 HydrophobicContact CB-CG2 4.18Å; A52-L203 HydrophobicContact CB-CB 3.93Å; A52-L203 PolarHBondContact N-O 3.25Å; A52-A204 HydrophobicContact CB-CB 3.9Å
53H97Very high94.5Very high76 Ų7657 Ų5735%0.35230%0.302SS..EExtended strand (participates in β ladder)trans-133.2135.8173.2-178.4-117.3000111E55 L72 A73 Y75H53-E55 IonicContact CE1-OE1 2.7Å; H53-E55 PolarHBondContact CE1-OE1 2.81Å; H53-E55 IonicContact CG-OE1 2.73Å; H53-E55 IonicContact ND1-OE1 3.49Å; H53-E55 PolarHBondContact ND1-OE1 3.26Å; H53-E55 PolarHBondContact O-N 3.49Å; H53-E55 VanDerWaalsContact O-N 3.14Å; H53-L72 VanDerWaalsContact O-CA 3.26Å; H53-L72 WeakPolarHBondContact O-CA 3.23Å; H53-L72 WeakPolarHBondContact O-CD2 3.35Å; H53-A73 PolarHBondContact N-O 2.69Å; H53-A73 PolarHBondContact O-N 3.5Å; H53-Y75 HydrophobicContact CB-CE2 3.78Å
54F96.9Very high94.6Very high14 Ų1457.3 Ų57.36%0.06130%0.298CS..EExtended strand (participates in β ladder)trans-83.579.6176-77.6-91.4000111.2K56 Q57 F70 V71 L72 V190 A204F54-K56 PolarHBondContact O-N 3.19Å; F54-K56 VanDerWaalsContact O-N 3.16Å; F54-Q57 HydrophobicContact CB-CG 4.26Å; F54-F70 HydrophobicContact CD1-CB 4.14Å; F54-F70 HydrophobicContact CD1-CD2 4.08Å; F54-F70 HydrophobicContact CD1-CG 4.39Å; F54-F70 HydrophobicContact CE1-CB 4.15Å; F54-F70 AromaticContact CE1-CD2 3.56Å; F54-F70 HydrophobicContact CE1-CD2 3.56Å; F54-F70 HydrophobicContact CE1-CE2 4.13Å; F54-F70 AromaticContact CE1-CG 3.95Å; F54-F70 HydrophobicContact CE1-CG 3.95Å; F54-V71 CarbonylContact C-O 3.51Å; F54-L72 HydrophobicContact CB-CD2 4.42Å; F54-L72 HydrophobicContact CD1-CD2 3.57Å; F54-L72 HydrophobicContact CD2-CD2 3.93Å; F54-L72 HydrophobicContact CE1-CD2 3.7Å; F54-L72 HydrophobicContact CE2-CD2 4.03Å; F54-L72 HydrophobicContact CG-CD2 3.7Å; F54-L72 HydrophobicContact CZ-CD2 3.92Å; F54-V190 HydrophobicContact CZ-CB 4.31Å; F54-V190 HydrophobicContact CZ-CG1 4.34Å; F54-A204 HydrophobicContact CD2-CB 3.99Å; F54-A204 HydrophobicContact CE2-CB 3.65Å
55E94.8Very high94.7Very high91 Ų9151.6 Ų51.643%0.42528%0.276SS..EExtended strand (participates in β ladder)trans-50.9-34.3168.9-68.9-58.1134.800112.6H53 V71 A73 F164H53-E55 IonicContact CE1-OE1 2.7Å; H53-E55 PolarHBondContact CE1-OE1 2.81Å; H53-E55 IonicContact CG-OE1 2.73Å; H53-E55 IonicContact ND1-OE1 3.49Å; H53-E55 PolarHBondContact ND1-OE1 3.26Å; H53-E55 PolarHBondContact O-N 3.49Å; H53-E55 VanDerWaalsContact O-N 3.14Å; E55-V71 HydrophobicContact CB-CB 4.31Å; E55-V71 HydrophobicContact CB-CG1 4.09Å; E55-V71 PolarHBondContact N-O 2.92Å; E55-V71 VanDerWaalsContact N-O 3.09Å; E55-A73 HydrophobicContact CG-CB 3.92Å; E55-F164 HydrophobicContact CG-CD1 3.96Å; E55-F164 HydrophobicContact CG-CE1 3.86Å
56K95.1Very high94.9Very high111 Ų11151 Ų5148%0.48327%0.266SS..EExtended strand (participates in β ladder)trans-134.6109.1166.4-174.6163.2-176147.60109.9F54 F70 V71F54-K56 PolarHBondContact O-N 3.19Å; F54-K56 VanDerWaalsContact O-N 3.16Å; K56-F70 CarbonylContact O-C 3.59Å; K56-F70 WeakPolarHBondContact O-CA 3.21Å; K56-F70 VanDerWaalsContact O-CB 3.22Å; K56-F70 WeakPolarHBondContact O-CB 3.01Å; K56-V71 HydrophobicContact CB-CB 3.78Å; K56-V71 HydrophobicContact CB-CG2 3.85Å; K56-V71 PolarHBondContact N-O 3.28Å; K56-V71 PolarHBondContact O-N 3.46Å
57Q97.4Very high95.1Very high63 Ų6353.7 Ų53.729%0.29427%0.268SS..PPolyproline II helixtrans-57.7148.8170.8-68-76.117.800111.5F54 D207F54-Q57 HydrophobicContact CB-CG 4.26Å; Q57-D207 VanDerWaalsContact CD-CG 3.44Å; Q57-D207 VanDerWaalsContact CD-OD2 3.29Å; Q57-D207 HydrophobicContact CG-CB 4.4Å; Q57-D207 VanDerWaalsContact CG-OD2 3.31Å; Q57-D207 WeakPolarHBondContact CG-OD2 3.3Å; Q57-D207 PolarHBondContact NE2-OD1 3.02Å; Q57-D207 PolarHBondContact NE2-OD2 2.82Å; Q57-D207 VanDerWaalsContact NE2-OD2 3.09Å
58P97Very high95.2Very high8 Ų853.3 Ų53.35%0.05227%0.265CS..PPolyproline II helixtrans-67.1161.3169.732.7-35.6000110.7S60 F68 F70 V190 M209P58-S60 PolarHBondContact O-N 2.8Å; P58-F68 HydrophobicContact CB-CD2 3.98Å; P58-F68 HydrophobicContact CB-CE2 4.28Å; P58-F70 HydrophobicContact CB-CB 4.27Å; P58-V190 HydrophobicContact CB-CG2 4.39Å; P58-V190 HydrophobicContact CG-CG2 4.01Å; P58-M209 HydrophobicContact CB-CE 3.95Å; P58-M209 HydrophobicContact CB-CG 4.11Å; P58-M209 HydrophobicContact CB-SD 3.56Å; P58-M209 VanDerWaalsContact CB-SD 3.56Å; P58-M209 HydrophobicContact CG-CG 3.87Å; P58-M209 HydrophobicContact CG-SD 3.71Å
59P95.8Very high95.2Very high50 Ų5055.7 Ų55.733%0.32527%0.274SS..PPolyproline II helixtrans-67.8133.1-175.928.1-35.3000111.8N61 L62 F68 M209P59-N61 PolarHBondContact O-N 3.37Å; P59-L62 HydrophobicContact CG-CD1 4.45Å; P59-F68 HydrophobicContact CG-CB 3.88Å; P59-M209 HydrophobicContact CG-CE 4.19Å
60S95.1Very high95.1Very high65 Ų6554.8 Ų54.846%0.45527%0.269SS..SBendtrans-60.5-18.2179.861.80000114.4P58 N208 F210P58-S60 PolarHBondContact O-N 2.8Å; S60-N208 WeakPolarHBondContact CA-O 3.42Å; S60-F210 PolarHBondContact O-N 2.91Å
61N93Very high95.1Very high64 Ų6454.3 Ų54.334%0.34226%0.263SS..EExtended strand (participates in β ladder)trans-139.4132.8174.2-60-97.3000108.9P59 F210 H217P59-N61 PolarHBondContact O-N 3.37Å; N61-F210 CarbonylContact C-O 3.58Å; N61-F210 WeakPolarHBondContact CA-O 3.35Å; N61-H217 PolarHBondContact OD1-NE2 2.93Å
62L95.4Very high95.1Very high8 Ų847 Ų474%0.04224%0.235CC..EExtended strand (participates in β ladder)trans-135.4129.3-176.7178.261.8000111P59 N66 F68 C171 M209 F210 V211 H212P59-L62 HydrophobicContact CG-CD1 4.45Å; L62-N66 HydrophobicContact CD1-CB 4.21Å; L62-F68 HydrophobicContact CD1-CB 3.92Å; L62-F68 HydrophobicContact CD2-CB 3.93Å; L62-F68 HydrophobicContact CD2-CD1 3.43Å; L62-F68 VanDerWaalsContact CD2-CD1 3.43Å; L62-F68 HydrophobicContact CD2-CE1 4.12Å; L62-F68 HydrophobicContact CD2-CG 3.83Å; L62-C171 HydrophobicContact CD2-CB 4.2Å; L62-M209 HydrophobicContact CB-CE 4.17Å; L62-M209 HydrophobicContact CD2-CE 3.78Å; L62-F210 PolarHBondContact N-O 3.15Å; L62-V211 HydrophobicContact CB-CG2 4.4Å; L62-V211 HydrophobicContact CD2-CG2 4.4Å; L62-V211 WeakPolarHBondContact O-CA 3.32Å; L62-H212 PolarHBondContact O-CD2 3.21Å; L62-H212 VanDerWaalsContact O-CD2 3.28Å; L62-H212 PolarHBondContact O-N 3Å; L62-H212 PolarHBondContact O-NE2 3.35Å
63R94.8Very high95Very high96 Ų9647.3 Ų47.336%0.36224%0.238SC..EExtended strand (participates in β ladder)trans-78123.5166.4-167.6-177.7175.3-164.4-4109.7S65 N66 H212R63-S65 VanDerWaalsContact CD-OG 3.27Å; R63-S65 WeakPolarHBondContact CD-OG 3.39Å; R63-S65 WeakPolarHBondContact CG-OG 3.5Å; R63-S65 PolarHBondContact NE-OG 2.9Å; R63-S65 PolarHBondContact O-N 3.18Å; R63-N66 WeakPolarHBondContact O-CB 3.31Å; R63-N66 PolarHBondContact O-N 2.95Å; R63-H212 CarbonylContact C-O 3.46Å; R63-H212 WeakPolarHBondContact CA-O 3.26Å
64K93.3Very high95Very high38 Ų3843.8 Ų43.817%0.16522%0.222CC..THydrogen-bonded Turntrans-47.9-28.2179.8171169.4167.2165.10114.9N66 K170 N172 N174 V211 H212K64-N66 VanDerWaalsContact C-N 3.31Å; K64-N66 PolarHBondContact O-N 3.25Å; K64-K170 WeakPolarHBondContact O-CE 3.45Å; K64-N172 WeakPolarHBondContact CE-O 3.23Å; K64-N172 WeakPolarHBondContact CE-OD1 3.3Å; K64-N172 PolarHBondContact NZ-O 2.89Å; K64-N174 WeakPolarHBondContact CD-OD1 3.14Å; K64-V211 HydrophobicContact CB-CG1 4.24Å; K64-H212 PolarHBondContact N-O 3.41Å
65S90.8Very high95Very high47 Ų4746.1 Ų46.133%0.32923%0.231SC..THydrogen-bonded Turntrans-68.7-27.1175.351.50000114.1R63 K170R63-S65 VanDerWaalsContact CD-OG 3.27Å; R63-S65 WeakPolarHBondContact CD-OG 3.39Å; R63-S65 WeakPolarHBondContact CG-OG 3.5Å; R63-S65 PolarHBondContact NE-OG 2.9Å; R63-S65 PolarHBondContact O-N 3.18Å; S65-K170 WeakPolarHBondContact O-CE 3.42Å; S65-K170 PolarHBondContact O-NZ 2.86Å
66N93.7Very high95Very high79 Ų7942.4 Ų42.442%0.42221%0.214SC..SBendtrans-95.1153.5-165.6-59.511.1000111.7L62 R63 K64L62-N66 HydrophobicContact CD1-CB 4.21Å; R63-N66 WeakPolarHBondContact O-CB 3.31Å; R63-N66 PolarHBondContact O-N 2.95Å; K64-N66 VanDerWaalsContact C-N 3.31Å; K64-N66 PolarHBondContact O-N 3.25Å
67F93.7Very high95Very high91 Ų9144.3 Ų44.340%0.39922%0.218SC..EExtended strand (participates in β ladder)trans-74.4155.6163.2-67.6-88.3000110.8H157 L169 K170F67-H157 HydrophobicContact CD1-CB 4.33Å; F67-H157 HydrophobicContact CE1-CB 3.83Å; F67-H157 HydrophobicContact CZ-CB 4.39Å; F67-L169 CarbonylContact C-O 3.6Å; F67-L169 VanDerWaalsContact CA-O 3.26Å; F67-L169 WeakPolarHBondContact CA-O 3.41Å; F67-K170 HydrophobicContact CD1-CB 3.76Å; F67-K170 HydrophobicContact CE1-CB 3.87Å; F67-K170 HydrophobicContact CG-CB 4.35Å
68F95Very high94.8Very high5 Ų548.8 Ų48.82%0.02224%0.239CC..EExtended strand (participates in β ladder)trans-131.8159.4168.872.2-78.5000109.5P58 P59 L62 F70 L154 L169 C171 V190 M209P58-F68 HydrophobicContact CB-CD2 3.98Å; P58-F68 HydrophobicContact CB-CE2 4.28Å; P59-F68 HydrophobicContact CG-CB 3.88Å; L62-F68 HydrophobicContact CD1-CB 3.92Å; L62-F68 HydrophobicContact CD2-CB 3.93Å; L62-F68 HydrophobicContact CD2-CD1 3.43Å; L62-F68 VanDerWaalsContact CD2-CD1 3.43Å; L62-F68 HydrophobicContact CD2-CE1 4.12Å; L62-F68 HydrophobicContact CD2-CG 3.83Å; F68-F70 HydrophobicContact CD2-CD1 4.32Å; F68-F70 AromaticContact CE2-CD1 3.95Å; F68-F70 HydrophobicContact CE2-CD1 3.95Å; F68-F70 HydrophobicContact CE2-CE1 4.09Å; F68-L154 HydrophobicContact CE1-CD2 4.22Å; F68-L154 HydrophobicContact CZ-CD2 4.07Å; F68-L169 HydrophobicContact CD1-CB 4.32Å; F68-L169 WeakPolarHBondContact CD1-O 3.33Å; F68-L169 HydrophobicContact CE1-CB 3.68Å; F68-L169 HydrophobicContact CZ-CB 3.8Å; F68-L169 PolarHBondContact N-O 3.07Å; F68-L169 PolarHBondContact O-N 3.02Å; F68-L169 VanDerWaalsContact O-O 3.11Å; F68-C171 HydrophobicContact CE1-CB 4.19Å; F68-V190 HydrophobicContact CE2-CG2 4.06Å; F68-M209 HydrophobicContact CB-CE 4.47Å; F68-M209 HydrophobicContact CD1-CE 4.45Å; F68-M209 HydrophobicContact CD2-CE 3.7Å; F68-M209 HydrophobicContact CD2-SD 4.34Å; F68-M209 HydrophobicContact CE2-CE 3.94Å; F68-M209 HydrophobicContact CE2-SD 4.08Å; F68-M209 HydrophobicContact CG-CE 3.97Å; F68-M209 HydrophobicContact CZ-CE 4.41Å
69H94.1Very high94.7Very high57 Ų5750.6 Ų50.626%0.26426%0.259SS..EExtended strand (participates in β ladder)trans-138.9153.7174.866.8-90.9000111.3F167 F168H69-F167 WeakPolarHBondContact CA-O 3.39Å; H69-F167 WeakPolarHBondContact CB-O 3.5Å; H69-F168 HydrophobicContact CB-CD1 3.92Å; H69-F168 HydrophobicContact CB-CE1 4.16Å; H69-F168 HydrophobicContact CB-CG 4.44Å
70F95.6Very high94.6Very high0 Ų052.6 Ų52.60%026%0.264CS..EExtended strand (participates in β ladder)trans-136.9164.1169.857-88.3000108.2F54 K56 P58 F68 L72 V128 F167 L169 V190 V192F54-F70 HydrophobicContact CD1-CB 4.14Å; F54-F70 HydrophobicContact CD1-CD2 4.08Å; F54-F70 HydrophobicContact CD1-CG 4.39Å; F54-F70 HydrophobicContact CE1-CB 4.15Å; F54-F70 AromaticContact CE1-CD2 3.56Å; F54-F70 HydrophobicContact CE1-CD2 3.56Å; F54-F70 HydrophobicContact CE1-CE2 4.13Å; F54-F70 AromaticContact CE1-CG 3.95Å; F54-F70 HydrophobicContact CE1-CG 3.95Å; K56-F70 CarbonylContact O-C 3.59Å; K56-F70 WeakPolarHBondContact O-CA 3.21Å; K56-F70 VanDerWaalsContact O-CB 3.22Å; K56-F70 WeakPolarHBondContact O-CB 3.01Å; P58-F70 HydrophobicContact CB-CB 4.27Å; F68-F70 HydrophobicContact CD2-CD1 4.32Å; F68-F70 AromaticContact CE2-CD1 3.95Å; F68-F70 HydrophobicContact CE2-CD1 3.95Å; F68-F70 HydrophobicContact CE2-CE1 4.09Å; F70-L72 HydrophobicContact CD2-CD2 4.24Å; F70-L72 HydrophobicContact CD2-CG 4.05Å; F70-L72 HydrophobicContact CE2-CD1 4.14Å; F70-L72 HydrophobicContact CE2-CG 4.1Å; F70-V128 HydrophobicContact CE1-CG1 4.29Å; F70-V128 HydrophobicContact CZ-CG1 3.79Å; F70-V128 HydrophobicContact CZ-CG2 4.3Å; F70-F167 HydrophobicContact CD1-CB 4.23Å; F70-F167 HydrophobicContact CD2-CB 4.29Å; F70-F167 AromaticContact CD2-CD2 3.86Å; F70-F167 HydrophobicContact CD2-CD2 3.86Å; F70-F167 HydrophobicContact CD2-CG 4.36Å; F70-F167 HydrophobicContact CE1-CB 3.76Å; F70-F167 HydrophobicContact CE1-CG 4.28Å; F70-F167 HydrophobicContact CE2-CB 3.85Å; F70-F167 HydrophobicContact CE2-CD1 4.44Å; F70-F167 AromaticContact CE2-CD2 3.25Å; F70-F167 HydrophobicContact CE2-CD2 3.25Å; F70-F167 AromaticContact CE2-CE2 3.81Å; F70-F167 HydrophobicContact CE2-CE2 3.81Å; F70-F167 AromaticContact CE2-CG 3.61Å; F70-F167 HydrophobicContact CE2-CG 3.61Å; F70-F167 HydrophobicContact CG-CB 4.46Å; F70-F167 HydrophobicContact CZ-CB 3.55Å; F70-F167 HydrophobicContact CZ-CD1 4.13Å; F70-F167 AromaticContact CZ-CD2 3.73Å; F70-F167 HydrophobicContact CZ-CD2 3.73Å; F70-F167 HydrophobicContact CZ-CE2 4.41Å; F70-F167 AromaticContact CZ-CG 3.55Å; F70-F167 HydrophobicContact CZ-CG 3.55Å; F70-F167 PolarHBondContact O-N 3.41Å; F70-F167 VanDerWaalsContact O-N 3.16Å; F70-L169 HydrophobicContact CE1-CD1 4.18Å; F70-V190 HydrophobicContact CE1-CG1 3.91Å; F70-V190 HydrophobicContact CE1-CG2 4.41Å; F70-V190 HydrophobicContact CE2-CG1 4.38Å; F70-V190 HydrophobicContact CZ-CG1 3.83Å; F70-V192 HydrophobicContact CE2-CG1 4.46Å
71V95.4Very high94.7Very high21 Ų2153.6 Ų53.613%0.12727%0.269CS..EExtended strand (participates in β ladder)trans-127.6130.9-179.7-178.90000108.8F54 E55 K56 F164 L165 K166F54-V71 CarbonylContact C-O 3.51Å; E55-V71 HydrophobicContact CB-CB 4.31Å; E55-V71 HydrophobicContact CB-CG1 4.09Å; E55-V71 PolarHBondContact N-O 2.92Å; E55-V71 VanDerWaalsContact N-O 3.09Å; K56-V71 HydrophobicContact CB-CB 3.78Å; K56-V71 HydrophobicContact CB-CG2 3.85Å; K56-V71 PolarHBondContact N-O 3.28Å; K56-V71 PolarHBondContact O-N 3.46Å; V71-F164 HydrophobicContact CG1-CB 3.66Å; V71-F164 HydrophobicContact CG1-CD1 4.29Å; V71-F164 HydrophobicContact CG1-CG 4.32Å; V71-L165 WeakPolarHBondContact CA-O 3.07Å; V71-K166 HydrophobicContact CG2-CB 4.28Å; V71-K166 HydrophobicContact CG2-CD 4.48Å; V71-K166 HydrophobicContact CG2-CG 4.03Å
72L96Very high94.8Very high0 Ų050.8 Ų50.80%025%0.254CS..EExtended strand (participates in β ladder)trans-112.4143.3176.7-62.8-175.9000112.8A52 H53 F54 F70 F126 L165 F167 V192A52-L72 HydrophobicContact CB-CD1 4.42Å; H53-L72 VanDerWaalsContact O-CA 3.26Å; H53-L72 WeakPolarHBondContact O-CA 3.23Å; H53-L72 WeakPolarHBondContact O-CD2 3.35Å; F54-L72 HydrophobicContact CB-CD2 4.42Å; F54-L72 HydrophobicContact CD1-CD2 3.57Å; F54-L72 HydrophobicContact CD2-CD2 3.93Å; F54-L72 HydrophobicContact CE1-CD2 3.7Å; F54-L72 HydrophobicContact CE2-CD2 4.03Å; F54-L72 HydrophobicContact CG-CD2 3.7Å; F54-L72 HydrophobicContact CZ-CD2 3.92Å; F70-L72 HydrophobicContact CD2-CD2 4.24Å; F70-L72 HydrophobicContact CD2-CG 4.05Å; F70-L72 HydrophobicContact CE2-CD1 4.14Å; F70-L72 HydrophobicContact CE2-CG 4.1Å; L72-F126 HydrophobicContact CD1-CE1 4.35Å; L72-F126 HydrophobicContact CD1-CZ 3.8Å; L72-L165 PolarHBondContact N-O 3.31Å; L72-L165 PolarHBondContact O-N 3.07Å; L72-F167 HydrophobicContact CD1-CE2 3.8Å; L72-F167 HydrophobicContact CD1-CZ 4.49Å; L72-F167 HydrophobicContact CG-CE2 4.14Å; L72-V192 HydrophobicContact CD1-CB 4.27Å; L72-V192 HydrophobicContact CD1-CG1 3.94Å; L72-V192 HydrophobicContact CD1-CG2 3.9Å
73A95.6Very high94.7Very high9 Ų953.4 Ų53.47%0.07427%0.266CS..EExtended strand (participates in β ladder)trans-102.1145.6153.800000109.2A52 H53 E55 Y75A52-A73 CarbonylContact C-O 3.52Å; A52-A73 VanDerWaalsContact CA-O 3.3Å; A52-A73 WeakPolarHBondContact CA-O 3.22Å; H53-A73 PolarHBondContact N-O 2.69Å; H53-A73 PolarHBondContact O-N 3.5Å; E55-A73 HydrophobicContact CG-CB 3.92Å; A73-Y75 HydrophobicContact CB-CE2 3.87Å
74L96.3Very high94.6Very high2 Ų248.9 Ų48.91%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-115.6139.6-178.3-61.5-177.6000110.5L49 A52 V82 I84 L112 L114 F126L49-L74 HydrophobicContact CD1-CD1 4.16Å; L49-L74 HydrophobicContact CD2-CB 3.99Å; L49-L74 HydrophobicContact CD2-CD1 4.32Å; A52-L74 HydrophobicContact CB-CD2 3.84Å; L74-V82 HydrophobicContact CB-CB 4.36Å; L74-V82 PolarHBondContact O-N 3.02Å; L74-I84 HydrophobicContact CD1-CD1 3.77Å; L74-I84 HydrophobicContact CD1-CG1 4.21Å; L74-I84 HydrophobicContact CG-CD1 4.28Å; L74-L112 HydrophobicContact CD1-CD1 4.01Å; L74-L114 HydrophobicContact CD1-CD2 4.05Å; L74-F126 HydrophobicContact CD2-CE2 3.89Å; L74-F126 HydrophobicContact CD2-CZ 4.34Å
75Y96.3Very high94.5Very high64 Ų6450.1 Ų50.125%0.25126%0.256SS..EExtended strand (participates in β ladder)trans-130.7141.3-177.9-57.6-87.6000111.9A50 R51 H53 A73 G79 Q80A50-Y75 PolarHBondContact N-O 2.93Å; R51-Y75 PolarHBondContact N-O 3.41Å; R51-Y75 PolarHBondContact O-N 2.77Å; H53-Y75 HydrophobicContact CB-CE2 3.78Å; A73-Y75 HydrophobicContact CB-CE2 3.87Å; Y75-G79 WeakPolarHBondContact CD1-O 3.24Å; Y75-Q80 VanDerWaalsContact CA-O 3.29Å; Y75-Q80 WeakPolarHBondContact CA-O 3.35Å
76D95.6Very high94.5Very high13 Ų1355.5 Ų55.57%0.0727%0.269CS..EExtended strand (participates in β ladder)trans-80.6-178.2175.873.312000112.9G48 A50 Q78 G79 Q80 V82 Y116G48-D76 WeakPolarHBondContact O-CA 3.49Å; A50-D76 WeakPolarHBondContact CB-O 3.49Å; D76-Q78 PolarHBondContact O-N 3Å; D76-Q78 VanDerWaalsContact O-N 3.15Å; D76-Q78 VanDerWaalsContact OD1-CA 3.32Å; D76-Q78 WeakPolarHBondContact OD1-CA 3.44Å; D76-Q78 WeakPolarHBondContact OD1-CB 3.25Å; D76-Q78 PolarHBondContact OD1-N 2.75Å; D76-G79 PolarHBondContact O-N 3.14Å; D76-G79 PolarHBondContact OD1-N 3.49Å; D76-Q80 PolarHBondContact N-O 2.88Å; D76-Q80 PolarHBondContact OD1-N 3.44Å; D76-V82 HydrophobicContact CB-CG2 3.88Å; D76-Y116 HydrophobicContact CB-CD1 3.71Å; D76-Y116 HydrophobicContact CB-CE1 3.73Å
77R94.2Very high94.4Very high151 Ų15153.9 Ų53.957%0.5726%0.262SS*.THydrogen-bonded Turntrans-61.8-15.7177.5-65.2-172.5-177.5176.32.1114.8G46 G48 A50G46-R77 WeakPolarHBondContact O-CD 3.39Å; G48-R77 PolarHBondContact O-N 2.77Å; A50-R77 HydrophobicContact CB-CB 4.43Å; A50-R77 HydrophobicContact CB-CG 4.03Å
78Q94.3Very high94.2Very high156 Ų15651.9 Ų51.973%0.72926%0.262SS*.THydrogen-bonded Turntrans-1001.4176.9-56.4-177.26.900112D76 Q80D76-Q78 PolarHBondContact O-N 3Å; D76-Q78 VanDerWaalsContact O-N 3.15Å; D76-Q78 VanDerWaalsContact OD1-CA 3.32Å; D76-Q78 WeakPolarHBondContact OD1-CA 3.44Å; D76-Q78 WeakPolarHBondContact OD1-CB 3.25Å; D76-Q78 PolarHBondContact OD1-N 2.75Å; Q78-Q80 VanDerWaalsContact C-N 3.28Å; Q78-Q80 HydrophobicContact CB-CG 4.32Å
79G94.2Very high94Very high47 Ų4756 Ų5649%0.48528%0.28SS..SBendtrans75.812.5-175.900000114Y75 D76Y75-G79 WeakPolarHBondContact CD1-O 3.24Å; D76-G79 PolarHBondContact O-N 3.14Å; D76-G79 PolarHBondContact OD1-N 3.49Å
80Q95.2Very high93.9Very high91 Ų9156 Ų5643%0.42528%0.284SS..  trans-80.3145.2176.7-63-58.8-39.800110.8Y75 D76 Q78Y75-Q80 VanDerWaalsContact CA-O 3.29Å; Y75-Q80 WeakPolarHBondContact CA-O 3.35Å; D76-Q80 PolarHBondContact N-O 2.88Å; D76-Q80 PolarHBondContact OD1-N 3.44Å; Q78-Q80 VanDerWaalsContact C-N 3.28Å; Q78-Q80 HydrophobicContact CB-CG 4.32Å
81P95.3Very high93.8Very high87 Ų8756.5 Ų56.557%0.56529%0.289SS*.BIsolated β-bridgetrans-65.8138.5175.629-34.6000110.6
82V95.3Very high93.7Very high5 Ų557.3 Ų57.33%0.0329%0.291CS..  trans-105.9123.9178.9-175.80000109.3L49 L74 D76 L114 Y116L49-V82 HydrophobicContact CD2-CB 4.29Å; L49-V82 HydrophobicContact CD2-CG1 4.33Å; L49-V82 HydrophobicContact CD2-CG2 4.06Å; L74-V82 HydrophobicContact CB-CB 4.36Å; L74-V82 PolarHBondContact O-N 3.02Å; D76-V82 HydrophobicContact CB-CG2 3.88Å; V82-L114 HydrophobicContact CG1-CB 3.76Å; V82-L114 HydrophobicContact CG1-CD1 4.36Å; V82-L114 HydrophobicContact CG1-CD2 4.18Å; V82-L114 HydrophobicContact CG1-CG 4.32Å; V82-Y116 HydrophobicContact CG1-CD1 4.2Å; V82-Y116 HydrophobicContact CG1-CD2 4.39Å; V82-Y116 HydrophobicContact CG1-CE1 4.08Å; V82-Y116 HydrophobicContact CG1-CE2 4.25Å; V82-Y116 HydrophobicContact CG1-CG 4.35Å; V82-Y116 HydrophobicContact CG2-CD1 3.8Å; V82-Y116 HydrophobicContact CG2-CE1 3.73Å
83E94.4Very high93.6Very high62 Ų6257.4 Ų57.429%0.2929%0.292SS..EExtended strand (participates in β ladder)trans-76.7146.7177.7177.7169.8-175.900110.8L114 L115 F163E83-L114 CarbonylContact O-C 3.54Å; E83-L114 WeakPolarHBondContact O-CA 3.41Å; E83-L115 HydrophobicContact CB-CB 4.23Å; E83-L115 PolarHBondContact N-O 2.58Å; E83-L115 PolarHBondContact O-N 2.94Å; E83-F163 HydrophobicContact CB-CD1 4.26Å; E83-F163 HydrophobicContact CB-CE1 3.9Å; E83-F163 VanDerWaalsContact CD-CE1 3.44Å; E83-F163 HydrophobicContact CG-CD1 4.05Å; E83-F163 HydrophobicContact CG-CE1 3.57Å; E83-F163 HydrophobicContact CG-CZ 4.17Å
84I93Very high93.4Very high2 Ų258.7 Ų58.71%0.0130%0.296CS..EExtended strand (participates in β ladder)trans-114.897.2-175.9-51175.8000108.7L74 T87 L114 R162 L165L74-I84 HydrophobicContact CD1-CD1 3.77Å; L74-I84 HydrophobicContact CD1-CG1 4.21Å; L74-I84 HydrophobicContact CG-CD1 4.28Å; I84-T87 HydrophobicContact CG2-CG2 3.41Å; I84-T87 VanDerWaalsContact CG2-CG2 3.41Å; I84-L114 HydrophobicContact CG1-CD2 4.04Å; I84-L114 HydrophobicContact CG2-CD2 4.49Å; I84-R162 PolarHBondContact N-O 3.32Å; I84-R162 VanDerWaalsContact O-O 3.12Å; I84-L165 HydrophobicContact CD1-CB 3.74Å; I84-L165 HydrophobicContact CD1-CD1 4.42Å; I84-L165 HydrophobicContact CD1-CD2 4.19Å; I84-L165 HydrophobicContact CD1-CG 4.34Å
85E91.6Very high93.1Very high63 Ų6365.4 Ų65.429%0.29433%0.325SS..EExtended strand (participates in β ladder)trans-74.4-42-176.7-65.6-172.3130.500112.4Q113 L115 R121E85-Q113 HydrophobicContact CB-CG 4.4Å; E85-Q113 PolarHBondContact N-O 3.47Å; E85-Q113 PolarHBondContact OE2-NE2 3.05Å; E85-L115 HydrophobicContact CG-CB 4.05Å; E85-R121 VanDerWaalsContact CD-NE 3.25Å; E85-R121 IonicContact OE1-CZ 3.39Å; E85-R121 IonicContact OE1-NE 3.6Å; E85-R121 PolarHBondContact OE1-NE 2.73Å; E85-R121 IonicContact OE1-NH2 2.97Å; E85-R121 PolarHBondContact OE1-NH2 3.26Å; E85-R121 VanDerWaalsContact OE2-CD 3.29Å; E85-R121 WeakPolarHBondContact OE2-CD 3.45Å; E85-R121 IonicContact OE2-CZ 2.71Å; E85-R121 IonicContact OE2-NE 2.68Å; E85-R121 PolarHBondContact OE2-NE 3.38Å
86R90.7Very high92.8Very high161 Ų16170.3 Ų70.361%0.60835%0.35SS*.EExtended strand (participates in β ladder)trans-143.2153-178.9-67.5-170.7-84.3-122.37.1111.8Q113R86-Q113 HydrophobicContact CB-CB 3.9Å; R86-Q113 PolarHBondContact N-O 3.44Å; R86-Q113 PolarHBondContact O-N 3.14Å
87T90.8Very high92.5Very high44 Ų4474.5 Ų74.527%0.2737%0.368SS..EExtended strand (participates in β ladder)trans-142.7133.1-177.154.30000109.1I84 L112 I159 L165I84-T87 HydrophobicContact CG2-CG2 3.41Å; I84-T87 VanDerWaalsContact CG2-CG2 3.41Å; T87-L112 HydrophobicContact CG2-CD2 3.9Å; T87-I159 VanDerWaalsContact OG1-CG2 3.29Å; T87-I159 WeakPolarHBondContact OG1-CG2 3.4Å; T87-L165 HydrophobicContact CG2-CD1 3.63Å
88A90.4Very high92.2Very high49 Ų4968.1 Ų68.141%0.40535%0.345SS..EExtended strand (participates in β ladder)trans-137.8136.9-179.800000110.7Y110 R111A88-Y110 CarbonylContact O-C 3.56Å; A88-Y110 WeakPolarHBondContact O-CA 3.46Å; A88-Y110 WeakPolarHBondContact O-CB 3.27Å; A88-R111 PolarHBondContact N-O 3.44Å; A88-R111 PolarHBondContact O-N 3.03Å
89F90.6Very high91.7Very high91 Ų9161.4 Ų61.440%0.39932%0.316SS..EExtended strand (participates in β ladder)trans-78.7127.4164165.4-93.7000108.5G91 F92 I108 Y110 T156F89-G91 WeakPolarHBondContact CE2-O 3.44Å; F89-G91 VanDerWaalsContact CZ-CA 3.5Å; F89-F92 HydrophobicContact CE2-CE1 4.19Å; F89-F92 HydrophobicContact CE2-CE2 4.43Å; F89-F92 HydrophobicContact CE2-CZ 4.14Å; F89-F92 HydrophobicContact CZ-CD2 4.18Å; F89-F92 HydrophobicContact CZ-CE1 4.34Å; F89-F92 AromaticContact CZ-CE2 3.78Å; F89-F92 HydrophobicContact CZ-CE2 3.78Å; F89-F92 AromaticContact CZ-CZ 3.87Å; F89-F92 HydrophobicContact CZ-CZ 3.87Å; F89-I108 HydrophobicContact CD2-CG2 3.6Å; F89-I108 HydrophobicContact CE2-CG2 3.62Å; F89-Y110 HydrophobicContact CB-CD1 4.15Å; F89-Y110 HydrophobicContact CB-CE1 4.13Å; F89-Y110 HydrophobicContact CD2-CE1 4.19Å; F89-T156 HydrophobicContact CD2-CG2 4.09Å; F89-T156 HydrophobicContact CE2-CG2 3.78Å; F89-T156 HydrophobicContact CZ-CG2 4.05Å
90V92.3Very high91.3Very high59 Ų5965.2 Ų65.236%0.35833%0.325SS..EExtended strand (participates in β ladder)trans-103.4-36.1-179.2-175.80000111.2H109 R111V90-H109 HydrophobicContact CB-CB 4.48Å; V90-H109 PolarHBondContact N-O 3.04Å; V90-R111 HydrophobicContact CG2-CB 3.65Å
91G91.8Very high90.6Very high10 Ų1065.7 Ų65.710%0.10334%0.338CS..EExtended strand (participates in β ladder)trans163.9-162.4178.400000114.3F89 H109F89-G91 WeakPolarHBondContact CE2-O 3.44Å; F89-G91 VanDerWaalsContact CZ-CA 3.5Å; G91-H109 PolarHBondContact N-O 3.44Å; G91-H109 PolarHBondContact O-N 3.32Å
92F93.7Very high89.7Confident38 Ų3864.9 Ų64.917%0.16733%0.327CS..EExtended strand (participates in β ladder)trans-103.9156.2176-60.3-75.3000111.4F89 E94 G107 I108 T156F89-F92 HydrophobicContact CE2-CE1 4.19Å; F89-F92 HydrophobicContact CE2-CE2 4.43Å; F89-F92 HydrophobicContact CE2-CZ 4.14Å; F89-F92 HydrophobicContact CZ-CD2 4.18Å; F89-F92 HydrophobicContact CZ-CE1 4.34Å; F89-F92 AromaticContact CZ-CE2 3.78Å; F89-F92 HydrophobicContact CZ-CE2 3.78Å; F89-F92 AromaticContact CZ-CZ 3.87Å; F89-F92 HydrophobicContact CZ-CZ 3.87Å; F92-E94 HydrophobicContact CB-CG 4.35Å; F92-E94 PolarHBondContact O-N 3.48Å; F92-G107 WeakPolarHBondContact CA-O 3.4Å; F92-I108 HydrophobicContact CD1-CG1 4.22Å; F92-I108 HydrophobicContact CE1-CD1 4.31Å; F92-I108 HydrophobicContact CE1-CG1 4.32Å; F92-T156 HydrophobicContact CZ-CG2 4.18Å
93V94.5Very high89.5Confident2 Ų272.6 Ų72.61%0.01236%0.36CS..SBendtrans-8597.3168.9177.10000107.7E98 N106 G107 Y127 V196V93-E98 HydrophobicContact CG1-CG 4.15Å; V93-N106 PolarHBondContact O-N 2.92Å; V93-G107 PolarHBondContact N-O 3.27Å; V93-Y127 HydrophobicContact CG2-CD1 4.02Å; V93-Y127 HydrophobicContact CG2-CE1 4.46Å; V93-V196 HydrophobicContact CG1-CG1 3.59Å; V93-V196 HydrophobicContact CG2-CG1 4.37Å
94E91.8Very high89.5Confident35 Ų3569.8 Ų69.816%0.16435%0.347CS..  trans-153.4160.2-179.262.9-175.7-137.500110.5F92 E96 K97 R152F92-E94 HydrophobicContact CB-CG 4.35Å; F92-E94 PolarHBondContact O-N 3.48Å; E94-E96 PolarHBondContact O-N 2.75Å; E94-K97 WeakPolarHBondContact O-CB 3.28Å; E94-K97 PolarHBondContact O-N 2.83Å; E94-K97 VanDerWaalsContact O-N 3.07Å; E94-R152 IonicContact OE1-NH2 2.75Å; E94-R152 PolarHBondContact OE1-NH2 2.9Å; E94-R152 IonicContact OE2-CZ 2.75Å; E94-R152 IonicContact OE2-NE 3.21Å; E94-R152 PolarHBondContact OE2-NE 2.89Å; E94-R152 IonicContact OE2-NH2 3.15Å; E94-R152 PolarHBondContact OE2-NH2 3.23Å
95K90.5Very high89.6Confident144 Ų14472 Ų7263%0.62636%0.359SS*.G310 helixtrans53.3-132176.4-47.6173.3-172.2169.70112.3K97 E98K95-K97 PolarHBondContact O-N 2.86Å; K95-E98 PolarHBondContact O-N 3.48Å; K95-E98 VanDerWaalsContact O-N 3.08Å
96E89.9Confident89.8Confident167 Ų16769 Ų6978%0.7835%0.345SS*.G310 helixtrans-57.7-12176.657.6-79.7169.700115.5E94E94-E96 PolarHBondContact O-N 2.75Å
97K89.2Confident90Very high100 Ų10061.4 Ų61.444%0.43532%0.317SS..G310 helixtrans-90.4-1.6175-60-174178.5-1750114E94 K95E94-K97 WeakPolarHBondContact O-CB 3.28Å; E94-K97 PolarHBondContact O-N 2.83Å; E94-K97 VanDerWaalsContact O-N 3.07Å; K95-K97 PolarHBondContact O-N 2.86Å
98E87.3Confident90.2Very high18 Ų1859.3 Ų59.38%0.08430%0.304CS..SBendtrans-80.2139.3178.5-62.4-143-143.500112.3V93 K95 N100 K103 T104 N105V93-E98 HydrophobicContact CG1-CG 4.15Å; K95-E98 PolarHBondContact O-N 3.48Å; K95-E98 VanDerWaalsContact O-N 3.08Å; E98-N100 PolarHBondContact O-N 2.99Å; E98-K103 VanDerWaalsContact OE1-C 3.27Å; E98-K103 VanDerWaalsContact OE1-CA 3.27Å; E98-K103 WeakPolarHBondContact OE1-CA 3.48Å; E98-K103 PolarHBondContact OE2-N 3.47Å; E98-T104 VanDerWaalsContact CD-N 3.25Å; E98-T104 PolarHBondContact OE1-N 2.78Å; E98-T104 WeakPolarHBondContact OE2-CA 3.19Å; E98-T104 VanDerWaalsContact OE2-CB 3.3Å; E98-T104 WeakPolarHBondContact OE2-CB 3.47Å; E98-T104 PolarHBondContact OE2-N 3.47Å; E98-T104 PolarHBondContact OE2-OG1 2.93Å; E98-N105 PolarHBondContact OE1-N 3.04Å
99A83.3Confident90.4Very high15 Ų1557.6 Ų57.612%0.12429%0.288CS..G310 helixtrans-58.6139.5167.100000109.4S101 E102 V196 N197A99-S101 PolarHBondContact O-N 3.39Å; A99-E102 WeakPolarHBondContact O-CB 3.15Å; A99-E102 WeakPolarHBondContact O-CG 3.3Å; A99-E102 PolarHBondContact O-N 3.06Å; A99-V196 HydrophobicContact CB-CG1 4.1Å; A99-N197 HydrophobicContact CB-CB 4.49Å
100N85.1Confident90.6Very high126 Ų12653.3 Ų53.367%0.67427%0.269SS*.G310 helixtrans51.622170.7-57.720.1000115.5E98 E102E98-N100 PolarHBondContact O-N 2.99Å; N100-E102 VanDerWaalsContact C-N 3.33Å; N100-E102 HydrophobicContact CB-CG 4.02Å; N100-E102 PolarHBondContact O-N 3.17Å
101S81.4Confident90.6Very high101 Ų10154.6 Ų54.671%0.70627%0.267SS*.G310 helixtrans61.127.9-174.3-540000115.7A99 K103A99-S101 PolarHBondContact O-N 3.39Å; S101-K103 VanDerWaalsContact C-N 3.34Å; S101-K103 PolarHBondContact O-N 2.97Å; S101-K103 VanDerWaalsContact O-N 3.14Å
102E77.3Confident90.8Very high70 Ų7054.1 Ų54.133%0.32726%0.263SS..  trans-73.5-1.6-164.1-73.5-179.6168.500118.2A99 N100 T104A99-E102 WeakPolarHBondContact O-CB 3.15Å; A99-E102 WeakPolarHBondContact O-CG 3.3Å; A99-E102 PolarHBondContact O-N 3.06Å; N100-E102 VanDerWaalsContact C-N 3.33Å; N100-E102 HydrophobicContact CB-CG 4.02Å; N100-E102 PolarHBondContact O-N 3.17Å; E102-T104 HydrophobicContact CB-CG2 3.76Å; E102-T104 PolarHBondContact O-N 3.33Å
103K90.4Very high90.8Very high167 Ų16753.2 Ų53.273%0.72626%0.259SS*.  trans47.630.5176.3-63-173.7180179.20115.2E98 S101 N105E98-K103 VanDerWaalsContact OE1-C 3.27Å; E98-K103 VanDerWaalsContact OE1-CA 3.27Å; E98-K103 WeakPolarHBondContact OE1-CA 3.48Å; E98-K103 PolarHBondContact OE2-N 3.47Å; S101-K103 VanDerWaalsContact C-N 3.34Å; S101-K103 PolarHBondContact O-N 2.97Å; S101-K103 VanDerWaalsContact O-N 3.14Å; K103-N105 VanDerWaalsContact C-N 3.29Å; K103-N105 PolarHBondContact O-N 3.17Å; K103-N105 PolarHBondContact O-ND2 3.25Å
104T93.8Very high90.8Very high3 Ų353.1 Ų53.12%0.01826%0.258CS..  trans-67.3-29.1-17967.30000112.5E98 E102 N106 R129 A138 V140 Y141E98-T104 VanDerWaalsContact CD-N 3.25Å; E98-T104 PolarHBondContact OE1-N 2.78Å; E98-T104 WeakPolarHBondContact OE2-CA 3.19Å; E98-T104 VanDerWaalsContact OE2-CB 3.3Å; E98-T104 WeakPolarHBondContact OE2-CB 3.47Å; E98-T104 PolarHBondContact OE2-N 3.47Å; E98-T104 PolarHBondContact OE2-OG1 2.93Å; E102-T104 HydrophobicContact CB-CG2 3.76Å; E102-T104 PolarHBondContact O-N 3.33Å; T104-N106 PolarHBondContact O-N 3.09Å; T104-N106 PolarHBondContact OG1-N 2.88Å; T104-R129 PolarHBondContact OG1-NH2 3.31Å; T104-A138 HydrophobicContact CG2-CB 4.14Å; T104-V140 HydrophobicContact CG2-CG2 4.35Å; T104-Y141 PolarHBondContact O-N 2.86Å
105N95Very high91Very high49 Ų4952.9 Ų52.926%0.26226%0.258SS..  trans48.339.2-168.2-58.6-89000111.7E98 K103 C151 R152 V153E98-N105 PolarHBondContact OE1-N 3.04Å; K103-N105 VanDerWaalsContact C-N 3.29Å; K103-N105 PolarHBondContact O-N 3.17Å; K103-N105 PolarHBondContact O-ND2 3.25Å; N105-C151 VanDerWaalsContact CB-O 3.32Å; N105-C151 WeakPolarHBondContact CB-O 3.42Å; N105-R152 CarbonylContact O-C 3.5Å; N105-R152 VanDerWaalsContact O-CA 3.29Å; N105-R152 WeakPolarHBondContact O-CA 3.41Å; N105-V153 PolarHBondContact O-N 3.33Å
106N96.1Very high91.2Very high0 Ų046.3 Ų46.30%023%0.229CC..  trans-129.799.3-170.6175.110.8000110.8V93 T104 R129 L130 I139 V153V93-N106 PolarHBondContact O-N 2.92Å; T104-N106 PolarHBondContact O-N 3.09Å; T104-N106 PolarHBondContact OG1-N 2.88Å; N106-R129 PolarHBondContact O-NE 3.17Å; N106-R129 PolarHBondContact O-NH2 3.49Å; N106-L130 PolarHBondContact ND2-O 3Å; N106-L130 PolarHBondContact OD1-N 2.84Å; N106-I139 WeakPolarHBondContact CB-O 3.3Å; N106-I139 PolarHBondContact ND2-N 2.87Å; N106-I139 VanDerWaalsContact ND2-N 3.14Å; N106-I139 PolarHBondContact ND2-O 3.01Å; N106-V153 HydrophobicContact CB-CB 3.74Å; N106-V153 HydrophobicContact CB-CG1 4.4Å; N106-V153 HydrophobicContact CB-CG2 3.67Å
107G94.9Very high91.3Very high2 Ų241.9 Ų41.92%0.02122%0.217CC..  trans157.8157.7163.400000112.2F92 V93 V128F92-G107 WeakPolarHBondContact CA-O 3.4Å; V93-G107 PolarHBondContact N-O 3.27Å; G107-V128 CarbonylContact C-O 3.55Å; G107-V128 VanDerWaalsContact CA-O 3.23Å; G107-V128 WeakPolarHBondContact CA-O 3.46Å
108I94.8Very high91.5Very high0 Ų041.3 Ų41.30%022%0.219CC..EExtended strand (participates in β ladder)trans-120.4131.4170.8-51.2-166.7000108.7F89 F92 Y110 Y127 V128 L154 L169F89-I108 HydrophobicContact CD2-CG2 3.6Å; F89-I108 HydrophobicContact CE2-CG2 3.62Å; F92-I108 HydrophobicContact CD1-CG1 4.22Å; F92-I108 HydrophobicContact CE1-CD1 4.31Å; F92-I108 HydrophobicContact CE1-CG1 4.32Å; I108-Y110 HydrophobicContact CB-CD2 4.44Å; I108-Y110 HydrophobicContact CB-CE2 3.73Å; I108-Y110 HydrophobicContact CG2-CD2 3.98Å; I108-Y110 HydrophobicContact CG2-CE1 3.96Å; I108-Y110 HydrophobicContact CG2-CE2 3.35Å; I108-Y127 WeakPolarHBondContact O-CA 3.27Å; I108-V128 PolarHBondContact N-O 3.4Å; I108-V128 PolarHBondContact O-N 3.22Å; I108-L154 HydrophobicContact CD1-CB 4.11Å; I108-L154 HydrophobicContact CG1-CB 3.95Å; I108-L154 HydrophobicContact CG1-CD1 4.48Å; I108-L169 HydrophobicContact CD1-CD2 3.48Å; I108-L169 VanDerWaalsContact CD1-CD2 3.48Å; I108-L169 HydrophobicContact CD1-CG 3.76Å; I108-L169 HydrophobicContact CG1-CD2 4.13Å
109H94.7Very high91.8Very high13 Ų1342.3 Ų42.36%0.0623%0.233CC..EExtended strand (participates in β ladder)trans-101.5120.6177.3177.2-157.8000109.1V90 G91 D125 Y127V90-H109 HydrophobicContact CB-CB 4.48Å; V90-H109 PolarHBondContact N-O 3.04Å; G91-H109 PolarHBondContact N-O 3.44Å; G91-H109 PolarHBondContact O-N 3.32Å; H109-D125 IonicContact CD2-OD1 3.22Å; H109-D125 IonicContact CE1-OD1 2.92Å; H109-D125 VanDerWaalsContact NE2-CG 3.31Å; H109-D125 IonicContact NE2-OD1 3.98Å; H109-D125 PolarHBondContact NE2-OD1 2.87Å; H109-Y127 HydrophobicContact CB-CD1 3.96Å; H109-Y127 HydrophobicContact CB-CE1 3.7Å; H109-Y127 AromaticContact CD2-CE1 3.44Å; H109-Y127 VanDerWaalsContact CD2-CE1 3.44Å; H109-Y127 WeakPolarHBondContact CD2-CE1 3.28Å; H109-Y127 AromaticContact CD2-CZ 3.57Å; H109-Y127 AromaticContact CG-CE1 3.49Å; H109-Y127 VanDerWaalsContact CG-CE1 3.49Å; H109-Y127 AromaticContact NE2-CZ 3.85Å
110Y94.2Very high92.2Very high1 Ų144 Ų440%0.00424%0.24CC..EExtended strand (participates in β ladder)trans-116160.1173.2-59.8-83.6000110.2A88 F89 I108 F126 V128 I159 F167A88-Y110 CarbonylContact O-C 3.56Å; A88-Y110 WeakPolarHBondContact O-CA 3.46Å; A88-Y110 WeakPolarHBondContact O-CB 3.27Å; F89-Y110 HydrophobicContact CB-CD1 4.15Å; F89-Y110 HydrophobicContact CB-CE1 4.13Å; F89-Y110 HydrophobicContact CD2-CE1 4.19Å; I108-Y110 HydrophobicContact CB-CD2 4.44Å; I108-Y110 HydrophobicContact CB-CE2 3.73Å; I108-Y110 HydrophobicContact CG2-CD2 3.98Å; I108-Y110 HydrophobicContact CG2-CE1 3.96Å; I108-Y110 HydrophobicContact CG2-CE2 3.35Å; Y110-F126 PolarHBondContact N-O 3.07Å; Y110-F126 PolarHBondContact O-N 2.88Å; Y110-V128 HydrophobicContact CD2-CG2 4.1Å; Y110-V128 HydrophobicContact CE2-CB 4.37Å; Y110-V128 HydrophobicContact CE2-CG2 3.78Å; Y110-I159 HydrophobicContact CD1-CD1 3.72Å; Y110-I159 HydrophobicContact CE1-CD1 3.77Å; Y110-I159 HydrophobicContact CG-CD1 4.2Å; Y110-F167 HydrophobicContact CD2-CD1 4.47Å; Y110-F167 AromaticContact CD2-CE1 3.79Å; Y110-F167 HydrophobicContact CD2-CE1 3.79Å; Y110-F167 AromaticContact CE2-CD1 3.81Å; Y110-F167 HydrophobicContact CE2-CD1 3.81Å; Y110-F167 AromaticContact CE2-CE1 3.58Å; Y110-F167 HydrophobicContact CE2-CE1 3.58Å; Y110-F167 HydrophobicContact CG-CE1 4.42Å; Y110-F167 AromaticContact CZ-CD1 3.97Å
111R94.1Very high92.7Very high85 Ų8541.4 Ų41.432%0.32122%0.221SC..EExtended strand (participates in β ladder)trans-124.2130168.1-165.2171-68.4-170.8-7.7109.5A88 V90 E123 D125A88-R111 PolarHBondContact N-O 3.44Å; A88-R111 PolarHBondContact O-N 3.03Å; V90-R111 HydrophobicContact CG2-CB 3.65Å; R111-E123 WeakPolarHBondContact CD-OE1 3.41Å; R111-E123 HydrophobicContact CG-CG 3.61Å; R111-E123 IonicContact NH1-OE1 2.79Å; R111-E123 IonicContact NH1-OE2 3.53Å; R111-D125 IonicContact CZ-OD1 2.73Å; R111-D125 IonicContact NE-OD1 2.85Å; R111-D125 PolarHBondContact NE-OD1 2.84Å; R111-D125 IonicContact NH2-OD1 2.69Å; R111-D125 PolarHBondContact NH2-OD1 3.06Å; R111-D125 IonicContact NH2-OD2 3.91Å
112L94.4Very high93.4Very high1 Ų136.6 Ų36.61%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-115133.7-176-49.1-179.1000108.6L74 T87 L114 Q124 F126 L165L74-L112 HydrophobicContact CD1-CD1 4.01Å; T87-L112 HydrophobicContact CG2-CD2 3.9Å; L112-L114 HydrophobicContact CB-CD2 3.84Å; L112-L114 HydrophobicContact CB-CG 4.14Å; L112-L114 HydrophobicContact CD1-CD2 4.31Å; L112-Q124 PolarHBondContact N-O 3.26Å; L112-Q124 PolarHBondContact O-N 3.2Å; L112-F126 HydrophobicContact CD1-CB 3.73Å; L112-F126 HydrophobicContact CD1-CD1 4.43Å; L112-F126 HydrophobicContact CD1-CD2 3.54Å; L112-F126 HydrophobicContact CD1-CE2 4.22Å; L112-F126 HydrophobicContact CD1-CG 3.65Å; L112-F126 HydrophobicContact CG-CB 3.86Å; L112-F126 HydrophobicContact CG-CG 4.3Å; L112-L165 HydrophobicContact CD1-CD2 3.94Å; L112-L165 HydrophobicContact CD2-CD2 3.85Å
113Q94.5Very high94.3Very high19 Ų1937.5 Ų37.59%0.08919%0.191CC..EExtended strand (participates in β ladder)trans-94.7119.9162.1-172173.1-40.200108.1V36 E85 R86 T122V36-Q113 HydrophobicContact CG1-CG 4.3Å; V36-Q113 HydrophobicContact CG2-CG 4.5Å; E85-Q113 HydrophobicContact CB-CG 4.4Å; E85-Q113 PolarHBondContact N-O 3.47Å; E85-Q113 PolarHBondContact OE2-NE2 3.05Å; R86-Q113 HydrophobicContact CB-CB 3.9Å; R86-Q113 PolarHBondContact N-O 3.44Å; R86-Q113 PolarHBondContact O-N 3.14Å; Q113-T122 WeakPolarHBondContact CA-O 3.29Å
114L94.9Very high94.6Very high0 Ų030.5 Ų30.50%016%0.161CC..EExtended strand (participates in β ladder)trans-112.7142.7-172.4-58.3177.1000110L49 L74 V82 E83 I84 L112 Y116 R121 T122 Q124L49-L114 HydrophobicContact CD1-CD1 3.93Å; L49-L114 HydrophobicContact CD2-CD1 3.85Å; L49-L114 HydrophobicContact CG-CD1 3.81Å; L74-L114 HydrophobicContact CD1-CD2 4.05Å; V82-L114 HydrophobicContact CG1-CB 3.76Å; V82-L114 HydrophobicContact CG1-CD1 4.36Å; V82-L114 HydrophobicContact CG1-CD2 4.18Å; V82-L114 HydrophobicContact CG1-CG 4.32Å; E83-L114 CarbonylContact O-C 3.54Å; E83-L114 WeakPolarHBondContact O-CA 3.41Å; I84-L114 HydrophobicContact CG1-CD2 4.04Å; I84-L114 HydrophobicContact CG2-CD2 4.49Å; L112-L114 HydrophobicContact CB-CD2 3.84Å; L112-L114 HydrophobicContact CB-CG 4.14Å; L112-L114 HydrophobicContact CD1-CD2 4.31Å; L114-Y116 HydrophobicContact CB-CE2 3.91Å; L114-Y116 HydrophobicContact CD1-CE2 4.49Å; L114-R121 CarbonylContact O-C 3.44Å; L114-R121 VanDerWaalsContact O-CA 3.25Å; L114-R121 WeakPolarHBondContact O-CA 3.43Å; L114-T122 PolarHBondContact N-O 3.04Å; L114-T122 PolarHBondContact O-N 3.1Å; L114-Q124 HydrophobicContact CD1-CB 3.63Å; L114-Q124 HydrophobicContact CD1-CG 3.97Å; L114-Q124 HydrophobicContact CG-CB 4.31Å
115L94.7Very high94.7Very high29 Ų2932.7 Ų32.715%0.15217%0.173CC..EExtended strand (participates in β ladder)trans-118.2120.5171.1174.665.3000108.6E83 E85 R121E83-L115 HydrophobicContact CB-CB 4.23Å; E83-L115 PolarHBondContact N-O 2.58Å; E83-L115 PolarHBondContact O-N 2.94Å; E85-L115 HydrophobicContact CG-CB 4.05Å; L115-R121 HydrophobicContact CD1-CG 3.85Å
116Y95Very high94.7Very high6 Ų630.3 Ų30.32%0.02416%0.16CC..  trans-89.9162.3-179.6-69.1-98.7000111.4V47 G48 L49 D76 V82 L114 N118 G119 I120 T122V47-Y116 HydrophobicContact CG1-CD1 3.7Å; V47-Y116 HydrophobicContact CG1-CD2 3.62Å; V47-Y116 HydrophobicContact CG1-CE1 3.89Å; V47-Y116 HydrophobicContact CG1-CE2 3.83Å; V47-Y116 HydrophobicContact CG1-CG 3.56Å; G48-Y116 WeakPolarHBondContact CA-OH 3.35Å; L49-Y116 PolarHBondContact N-OH 3.01Å; D76-Y116 HydrophobicContact CB-CD1 3.71Å; D76-Y116 HydrophobicContact CB-CE1 3.73Å; V82-Y116 HydrophobicContact CG1-CD1 4.2Å; V82-Y116 HydrophobicContact CG1-CD2 4.39Å; V82-Y116 HydrophobicContact CG1-CE1 4.08Å; V82-Y116 HydrophobicContact CG1-CE2 4.25Å; V82-Y116 HydrophobicContact CG1-CG 4.35Å; V82-Y116 HydrophobicContact CG2-CD1 3.8Å; V82-Y116 HydrophobicContact CG2-CE1 3.73Å; L114-Y116 HydrophobicContact CB-CE2 3.91Å; L114-Y116 HydrophobicContact CD1-CE2 4.49Å; Y116-N118 WeakPolarHBondContact CB-OD1 3.29Å; Y116-N118 PolarHBondContact O-N 2.77Å; Y116-N118 VanDerWaalsContact O-N 3.09Å; Y116-G119 PolarHBondContact O-N 3.37Å; Y116-I120 PolarHBondContact N-O 3.07Å; Y116-T122 HydrophobicContact CD2-CG2 4.11Å; Y116-T122 HydrophobicContact CE2-CG2 3.57Å; Y116-T122 WeakPolarHBondContact CE2-OG1 3.37Å
117S93Very high94.7Very high75 Ų7531.8 Ų31.852%0.52417%0.166SC..THydrogen-bonded Turntrans-53.6-27.8178.356.90000114.2G119S117-G119 VanDerWaalsContact C-N 3.33Å
118N92.3Very high94.8Very high88 Ų8831.7 Ų31.747%0.47117%0.165SC..THydrogen-bonded Turntrans-85.85.5176.664.57.9000114.5V47 Y116 I120V47-N118 WeakPolarHBondContact CG2-ND2 3.34Å; Y116-N118 WeakPolarHBondContact CB-OD1 3.29Å; Y116-N118 PolarHBondContact O-N 2.77Å; Y116-N118 VanDerWaalsContact O-N 3.09Å; N118-I120 VanDerWaalsContact C-N 3.31Å; N118-I120 PolarHBondContact O-N 3.08Å; N118-I120 WeakPolarHBondContact OD1-CB 3.32Å; N118-I120 PolarHBondContact OD1-N 3.05Å; N118-I120 VanDerWaalsContact OD1-N 3.08Å
119G93Very high94.9Very high38 Ų3831.8 Ų31.839%0.39217%0.165SC..SBendtrans81.5-1.8179.700000115.5Y116 S117Y116-G119 PolarHBondContact O-N 3.37Å; S117-G119 VanDerWaalsContact C-N 3.33Å
120I93.5Very high95.1Very high52 Ų5231.2 Ų31.227%0.26716%0.163SC..  trans-73.5137.1176.6-67176.9000109.8L37 V47 Y116 N118 T122L37-I120 HydrophobicContact CD1-CG2 3.87Å; V47-I120 HydrophobicContact CG1-CG2 4.44Å; V47-I120 HydrophobicContact CG2-CD1 4.12Å; Y116-I120 PolarHBondContact N-O 3.07Å; N118-I120 VanDerWaalsContact C-N 3.31Å; N118-I120 PolarHBondContact O-N 3.08Å; N118-I120 WeakPolarHBondContact OD1-CB 3.32Å; N118-I120 PolarHBondContact OD1-N 3.05Å; N118-I120 VanDerWaalsContact OD1-N 3.08Å; I120-T122 HydrophobicContact CG2-CG2 4.25Å
121R95.6Very high95.3Very high71 Ų7131.5 Ų31.527%0.26816%0.164SC..EExtended strand (participates in β ladder)trans-103.1136.2173.7-72.3179171.675.111.2110.9V36 L37 E85 L114 L115V36-R121 HydrophobicContact CG2-CB 4.22Å; L37-R121 PolarHBondContact N-O 3.47Å; E85-R121 VanDerWaalsContact CD-NE 3.25Å; E85-R121 IonicContact OE1-CZ 3.39Å; E85-R121 IonicContact OE1-NE 3.6Å; E85-R121 PolarHBondContact OE1-NE 2.73Å; E85-R121 IonicContact OE1-NH2 2.97Å; E85-R121 PolarHBondContact OE1-NH2 3.26Å; E85-R121 VanDerWaalsContact OE2-CD 3.29Å; E85-R121 WeakPolarHBondContact OE2-CD 3.45Å; E85-R121 IonicContact OE2-CZ 2.71Å; E85-R121 IonicContact OE2-NE 2.68Å; E85-R121 PolarHBondContact OE2-NE 3.38Å; L114-R121 CarbonylContact O-C 3.44Å; L114-R121 VanDerWaalsContact O-CA 3.25Å; L114-R121 WeakPolarHBondContact O-CA 3.43Å; L115-R121 HydrophobicContact CD1-CG 3.85Å
122T95.9Very high95.4Very high0 Ų028 Ų280%015%0.152CC..EExtended strand (participates in β ladder)trans-130.4146.9174.475.60000112.7L37 A42 V47 Q113 L114 Y116 I120L37-T122 CarbonylContact O-C 3.56Å; L37-T122 WeakPolarHBondContact O-CA 3.39Å; A42-T122 HydrophobicContact CB-CG2 3.43Å; A42-T122 VanDerWaalsContact CB-CG2 3.43Å; V47-T122 HydrophobicContact CG1-CG2 4.46Å; Q113-T122 WeakPolarHBondContact CA-O 3.29Å; L114-T122 PolarHBondContact N-O 3.04Å; L114-T122 PolarHBondContact O-N 3.1Å; Y116-T122 HydrophobicContact CD2-CG2 4.11Å; Y116-T122 HydrophobicContact CE2-CG2 3.57Å; Y116-T122 WeakPolarHBondContact CE2-OG1 3.37Å; I120-T122 HydrophobicContact CG2-CG2 4.25Å
123E95.9Very high95.5Very high89 Ų8928.6 Ų28.642%0.41616%0.156SC..EExtended strand (participates in β ladder)trans-95.2119.5163.4-157.9177.4-145.500109.5V36 L37 A39 R111V36-E123 HydrophobicContact CG1-CB 3.86Å; L37-E123 PolarHBondContact O-N 2.91Å; A39-E123 PolarHBondContact N-O 3.09Å; R111-E123 WeakPolarHBondContact CD-OE1 3.41Å; R111-E123 HydrophobicContact CG-CG 3.61Å; R111-E123 IonicContact NH1-OE1 2.79Å; R111-E123 IonicContact NH1-OE2 3.53Å
124Q95.5Very high95.5Very high19 Ų1935.1 Ų35.19%0.08919%0.188CC..EExtended strand (participates in β ladder)trans-124.9121.4-171.5176.365.379.600110.4L49 L112 L114 T194L49-Q124 HydrophobicContact CD1-CG 4.06Å; L112-Q124 PolarHBondContact N-O 3.26Å; L112-Q124 PolarHBondContact O-N 3.2Å; L114-Q124 HydrophobicContact CD1-CB 3.63Å; L114-Q124 HydrophobicContact CD1-CG 3.97Å; L114-Q124 HydrophobicContact CG-CB 4.31Å; Q124-T194 HydrophobicContact CG-CG2 4.37Å
125D96Very high95.5Very high49 Ų4939.4 Ų39.426%0.26222%0.215SC..EExtended strand (participates in β ladder)trans-70.7137.3166.7-70.9-50.4000110.1H109 R111 Y127H109-D125 IonicContact CD2-OD1 3.22Å; H109-D125 IonicContact CE1-OD1 2.92Å; H109-D125 VanDerWaalsContact NE2-CG 3.31Å; H109-D125 IonicContact NE2-OD1 3.98Å; H109-D125 PolarHBondContact NE2-OD1 2.87Å; R111-D125 IonicContact CZ-OD1 2.73Å; R111-D125 IonicContact NE-OD1 2.85Å; R111-D125 PolarHBondContact NE-OD1 2.84Å; R111-D125 IonicContact NH2-OD1 2.69Å; R111-D125 PolarHBondContact NH2-OD1 3.06Å; R111-D125 IonicContact NH2-OD2 3.91Å; D125-Y127 HydrophobicContact CB-CE2 3.99Å
126F95.9Very high95.6Very high0 Ų042.8 Ų42.80%023%0.228CC..EExtended strand (participates in β ladder)trans-139.8131.1-172-169.4-82.6000110.1L49 L72 L74 Y110 L112 V128 F167 V192 L203L49-F126 HydrophobicContact CD1-CD2 4.3Å; L49-F126 HydrophobicContact CD1-CE2 4.44Å; L72-F126 HydrophobicContact CD1-CE1 4.35Å; L72-F126 HydrophobicContact CD1-CZ 3.8Å; L74-F126 HydrophobicContact CD2-CE2 3.89Å; L74-F126 HydrophobicContact CD2-CZ 4.34Å; Y110-F126 PolarHBondContact N-O 3.07Å; Y110-F126 PolarHBondContact O-N 2.88Å; L112-F126 HydrophobicContact CD1-CB 3.73Å; L112-F126 HydrophobicContact CD1-CD1 4.43Å; L112-F126 HydrophobicContact CD1-CD2 3.54Å; L112-F126 HydrophobicContact CD1-CE2 4.22Å; L112-F126 HydrophobicContact CD1-CG 3.65Å; L112-F126 HydrophobicContact CG-CB 3.86Å; L112-F126 HydrophobicContact CG-CG 4.3Å; F126-V128 HydrophobicContact CD1-CG2 4.37Å; F126-V128 HydrophobicContact CE1-CG2 4.09Å; F126-F167 HydrophobicContact CD1-CE1 4.47Å; F126-F167 HydrophobicContact CD1-CZ 4.04Å; F126-F167 HydrophobicContact CE1-CE1 4.26Å; F126-F167 HydrophobicContact CE1-CE2 4.35Å; F126-F167 AromaticContact CE1-CZ 3.53Å; F126-F167 HydrophobicContact CE1-CZ 3.53Å; F126-F167 HydrophobicContact CZ-CZ 4.31Å; F126-V192 HydrophobicContact CE1-CB 3.95Å; F126-V192 HydrophobicContact CE1-CG1 3.95Å; F126-V192 HydrophobicContact CZ-CB 3.73Å; F126-V192 HydrophobicContact CZ-CG1 4.12Å; F126-V192 HydrophobicContact CZ-CG2 4.31Å; F126-L203 HydrophobicContact CD2-CD1 4.16Å; F126-L203 HydrophobicContact CE2-CD1 3.61Å; F126-L203 HydrophobicContact CZ-CD1 4.47Å
127Y96.4Very high95.6Very high30 Ų3046.7 Ų46.712%0.11825%0.246CC..EExtended strand (participates in β ladder)trans-119.3140.1-172.3-60.5-89.2000111.3V93 I108 H109 D125 V192 S193 T194 T195 V196V93-Y127 HydrophobicContact CG2-CD1 4.02Å; V93-Y127 HydrophobicContact CG2-CE1 4.46Å; I108-Y127 WeakPolarHBondContact O-CA 3.27Å; H109-Y127 HydrophobicContact CB-CD1 3.96Å; H109-Y127 HydrophobicContact CB-CE1 3.7Å; H109-Y127 AromaticContact CD2-CE1 3.44Å; H109-Y127 VanDerWaalsContact CD2-CE1 3.44Å; H109-Y127 WeakPolarHBondContact CD2-CE1 3.28Å; H109-Y127 AromaticContact CD2-CZ 3.57Å; H109-Y127 AromaticContact CG-CE1 3.49Å; H109-Y127 VanDerWaalsContact CG-CE1 3.49Å; H109-Y127 AromaticContact NE2-CZ 3.85Å; D125-Y127 HydrophobicContact CB-CE2 3.99Å; Y127-V192 WeakPolarHBondContact O-CA 3.43Å; Y127-S193 PolarHBondContact N-O 3.43Å; Y127-S193 PolarHBondContact O-N 2.82Å; Y127-T194 WeakPolarHBondContact CE2-O 3.24Å; Y127-T195 WeakPolarHBondContact CD2-O 3.49Å; Y127-V196 HydrophobicContact CD1-CG2 3.86Å; Y127-V196 HydrophobicContact CE1-CG2 3.43Å; Y127-V196 VanDerWaalsContact CE1-CG2 3.43Å; Y127-V196 HydrophobicContact CE2-CG2 4.35Å; Y127-V196 HydrophobicContact CG-CG2 4.47Å
128V96.8Very high95.7Very high1 Ų143.7 Ų43.71%0.00623%0.227CC..EExtended strand (participates in β ladder)trans-121117.9172-177.70000107.8F70 G107 I108 Y110 F126 L154 F167 L169 V190 V192F70-V128 HydrophobicContact CE1-CG1 4.29Å; F70-V128 HydrophobicContact CZ-CG1 3.79Å; F70-V128 HydrophobicContact CZ-CG2 4.3Å; G107-V128 CarbonylContact C-O 3.55Å; G107-V128 VanDerWaalsContact CA-O 3.23Å; G107-V128 WeakPolarHBondContact CA-O 3.46Å; I108-V128 PolarHBondContact N-O 3.4Å; I108-V128 PolarHBondContact O-N 3.22Å; Y110-V128 HydrophobicContact CD2-CG2 4.1Å; Y110-V128 HydrophobicContact CE2-CB 4.37Å; Y110-V128 HydrophobicContact CE2-CG2 3.78Å; F126-V128 HydrophobicContact CD1-CG2 4.37Å; F126-V128 HydrophobicContact CE1-CG2 4.09Å; V128-L154 HydrophobicContact CG1-CD1 4.32Å; V128-F167 HydrophobicContact CG2-CD1 3.97Å; V128-F167 HydrophobicContact CG2-CE1 3.58Å; V128-F167 HydrophobicContact CG2-CZ 4.12Å; V128-L169 HydrophobicContact CG1-CD2 3.93Å; V128-V190 HydrophobicContact CG1-CG1 3.73Å; V128-V192 HydrophobicContact CG2-CG1 4.06Å
129R97.1Very high95.9Very high2 Ų239.5 Ų39.51%0.00820%0.204CC..EExtended strand (participates in β ladder)trans-128.5163.8176.9-54-175.273.4-161.3-2110.2T104 N106 V191 V196 V198T104-R129 PolarHBondContact OG1-NH2 3.31Å; N106-R129 PolarHBondContact O-NE 3.17Å; N106-R129 PolarHBondContact O-NH2 3.49Å; R129-V191 HydrophobicContact CB-CG1 3.87Å; R129-V191 PolarHBondContact N-O 2.82Å; R129-V191 WeakPolarHBondContact O-CG1 3.49Å; R129-V191 PolarHBondContact O-N 2.67Å; R129-V196 VanDerWaalsContact CD-O 3.3Å; R129-V196 WeakPolarHBondContact CD-O 3.42Å; R129-V196 PolarHBondContact NH1-O 3.43Å; R129-V198 HydrophobicContact CB-CG1 4.35Å; R129-V198 HydrophobicContact CG-CG1 4.41Å
130L98Very high96.1Very high1 Ų140.5 Ų40.51%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-101.4136165.7-62.1-169000111N106 I139 V153 L154 C171 F188 Q189 V190N106-L130 PolarHBondContact ND2-O 3Å; N106-L130 PolarHBondContact OD1-N 2.84Å; L130-I139 HydrophobicContact CB-CB 4.33Å; L130-I139 HydrophobicContact CB-CG1 3.94Å; L130-I139 PolarHBondContact O-N 3.3Å; L130-V153 HydrophobicContact CB-CG1 4.15Å; L130-V153 HydrophobicContact CD1-CG1 3.82Å; L130-V153 HydrophobicContact CG-CG1 4.16Å; L130-L154 HydrophobicContact CD1-CD2 3.93Å; L130-L154 HydrophobicContact CD1-CG 4.48Å; L130-L154 HydrophobicContact CD2-CD1 4.49Å; L130-L154 HydrophobicContact CD2-CD2 4.21Å; L130-L154 HydrophobicContact CG-CD1 4.14Å; L130-L154 HydrophobicContact CG-CD2 3.85Å; L130-L154 HydrophobicContact CG-CG 4.06Å; L130-C171 HydrophobicContact CD1-CB 4.23Å; L130-C171 WeakPolarHBondContact CD1-SG 3.44Å; L130-F188 HydrophobicContact CD1-CB 4.33Å; L130-F188 HydrophobicContact CD1-CD2 3.87Å; L130-F188 HydrophobicContact CD1-CG 4.43Å; L130-Q189 WeakPolarHBondContact CA-O 3.32Å; L130-V190 HydrophobicContact CD2-CB 4.31Å; L130-V190 HydrophobicContact CD2-CG2 3.71Å
131I97.9Very high96.1Very high7 Ų739.2 Ų39.24%0.03619%0.194CC..EExtended strand (participates in β ladder)trans-118.6159.717258171.7000111.2K136 Q137 F188 Q189 V191 V198 V205I131-K136 WeakPolarHBondContact CB-O 3.42Å; I131-K136 HydrophobicContact CD1-CD 4.28Å; I131-K136 WeakPolarHBondContact CG2-O 3.31Å; I131-Q137 CarbonylContact C-O 3.11Å; I131-Q137 VanDerWaalsContact CA-O 3.3Å; I131-Q137 WeakPolarHBondContact CA-O 3.42Å; I131-F188 CarbonylContact O-C 3.58Å; I131-F188 VanDerWaalsContact O-CA 3.28Å; I131-F188 WeakPolarHBondContact O-CA 3.47Å; I131-Q189 HydrophobicContact CG1-CB 4.06Å; I131-Q189 PolarHBondContact N-O 3.09Å; I131-Q189 PolarHBondContact O-N 3.03Å; I131-V191 HydrophobicContact CD1-CB 4.18Å; I131-V191 HydrophobicContact CG1-CB 4.29Å; I131-V191 HydrophobicContact CG1-CG1 4.38Å; I131-V191 HydrophobicContact CG2-CB 4.39Å; I131-V191 HydrophobicContact CG2-CG1 3.68Å; I131-V198 HydrophobicContact CG2-CB 4.19Å; I131-V198 HydrophobicContact CG2-CG2 3.88Å; I131-V205 HydrophobicContact CD1-CG1 4.07Å; I131-V205 HydrophobicContact CD1-CG2 4.42Å
132D96.9Very high96Very high12 Ų1240 Ų406%0.06420%0.201CC..EExtended strand (participates in β ladder)trans-72.4131.7171.7-162.1-71.3000111.1M134 T135 K136 Q137 I139 R186D132-M134 PolarHBondContact O-N 3.21Å; D132-M134 PolarHBondContact OD1-N 3.43Å; D132-T135 VanDerWaalsContact CB-OG1 3.31Å; D132-T135 WeakPolarHBondContact CB-OG1 3.48Å; D132-T135 PolarHBondContact OD1-N 2.93Å; D132-K136 VanDerWaalsContact O-CA 3.23Å; D132-K136 WeakPolarHBondContact O-CA 3.23Å; D132-K136 PolarHBondContact O-N 3.25Å; D132-Q137 PolarHBondContact N-O 3.02Å; D132-I139 HydrophobicContact CB-CD1 3.89Å; D132-R186 WeakPolarHBondContact OD2-CG 3.03Å; D132-R186 IonicContact OD2-CZ 2.66Å; D132-R186 IonicContact OD2-NE 3.51Å; D132-R186 PolarHBondContact OD2-NE 3.01Å; D132-R186 IonicContact OD2-NH2 3.57Å
133S96.3Very high95.6Very high12 Ų1241.2 Ų41.28%0.08421%0.214CC..THydrogen-bonded Turntrans-60.5-26.7179.761.60000114.3K136 R187 N208S133-K136 PolarHBondContact O-NZ 2.75Å; S133-R187 WeakPolarHBondContact CB-O 3.29Å; S133-R187 PolarHBondContact N-O 3.17Å; S133-R187 WeakPolarHBondContact OG-CB 3.39Å; S133-R187 PolarHBondContact OG-O 3.21Å; S133-R187 VanDerWaalsContact OG-O 3.06Å; S133-N208 WeakPolarHBondContact CB-OD1 3.44Å
134M94.8Very high95.2Very high157 Ų15746.3 Ų46.377%0.77324%0.238SC*.THydrogen-bonded Turntrans-98.3-53.4-177.8-66.3-60.5-62.500111.7D132D132-M134 PolarHBondContact O-N 3.21Å; D132-M134 PolarHBondContact OD1-N 3.43Å
135T95.7Very high94.7Very high90 Ų9048.6 Ų48.655%0.55225%0.251SS*.THydrogen-bonded Turntrans-85.7-12-174.568.10000113.9D132 Q137D132-T135 VanDerWaalsContact CB-OG1 3.31Å; D132-T135 WeakPolarHBondContact CB-OG1 3.48Å; D132-T135 PolarHBondContact OD1-N 2.93Å; T135-Q137 PolarHBondContact O-N 3.46Å; T135-Q137 PolarHBondContact OG1-N 2.7Å
136K96Very high94.4Very high99 Ų9956.2 Ų56.243%0.4328%0.281SS..  trans59.21.1-172.7-52.3-48.3-169.3-164.90115.9I131 D132 S133I131-K136 WeakPolarHBondContact CB-O 3.42Å; I131-K136 HydrophobicContact CD1-CD 4.28Å; I131-K136 WeakPolarHBondContact CG2-O 3.31Å; D132-K136 VanDerWaalsContact O-CA 3.23Å; D132-K136 WeakPolarHBondContact O-CA 3.23Å; D132-K136 PolarHBondContact O-N 3.25Å; S133-K136 PolarHBondContact O-NZ 2.75Å
137Q95.2Very high94Very high88 Ų8859.1 Ų59.141%0.41130%0.297SS..PPolyproline II helixtrans-71.5151177.1-68.5-62.9-62.600112.2I131 D132 T135 I139 D199I131-Q137 CarbonylContact C-O 3.11Å; I131-Q137 VanDerWaalsContact CA-O 3.3Å; I131-Q137 WeakPolarHBondContact CA-O 3.42Å; D132-Q137 PolarHBondContact N-O 3.02Å; T135-Q137 PolarHBondContact O-N 3.46Å; T135-Q137 PolarHBondContact OG1-N 2.7Å; Q137-I139 PolarHBondContact O-N 2.8Å; Q137-D199 PolarHBondContact NE2-OD1 2.91Å
138A96Very high93.6Very high13 Ų1362.4 Ų62.411%0.10732%0.322CS..BIsolated β-bridgetrans-60.7135.1176.100000111.3T104 V140 V198T104-A138 HydrophobicContact CG2-CB 4.14Å; A138-V140 PolarHBondContact O-N 2.87Å; A138-V198 HydrophobicContact CB-CG2 4.29Å
139I96.3Very high93Very high0 Ų067.2 Ų67.20%035%0.345CS..PPolyproline II helixtrans-68128.2175.5-57.4-56.2000109.6N106 L130 D132 Q137 V153 Q173 F188N106-I139 WeakPolarHBondContact CB-O 3.3Å; N106-I139 PolarHBondContact ND2-N 2.87Å; N106-I139 VanDerWaalsContact ND2-N 3.14Å; N106-I139 PolarHBondContact ND2-O 3.01Å; L130-I139 HydrophobicContact CB-CB 4.33Å; L130-I139 HydrophobicContact CB-CG1 3.94Å; L130-I139 PolarHBondContact O-N 3.3Å; D132-I139 HydrophobicContact CB-CD1 3.89Å; Q137-I139 PolarHBondContact O-N 2.8Å; I139-V153 HydrophobicContact CB-CG1 4.3Å; I139-V153 HydrophobicContact CG2-CG1 4.11Å; I139-V153 HydrophobicContact CG2-CG2 4.13Å; I139-Q173 HydrophobicContact CG2-CB 4.42Å; I139-Q173 HydrophobicContact CG2-CG 3.8Å; I139-F188 HydrophobicContact CD1-CD1 3.4Å; I139-F188 HydrophobicContact CD1-CE1 3.43Å; I139-F188 VanDerWaalsContact CD1-CE1 3.43Å; I139-F188 HydrophobicContact CD1-CG 4.28Å; I139-F188 HydrophobicContact CD1-CZ 4.3Å; I139-F188 HydrophobicContact CG1-CD1 3.7Å; I139-F188 HydrophobicContact CG1-CE1 3.87Å; I139-F188 HydrophobicContact CG1-CG 4.1Å; I139-F188 HydrophobicContact CG1-CZ 4.38Å; I139-F188 HydrophobicContact CG2-CE1 4.11Å; I139-F188 HydrophobicContact CG2-CE2 4.37Å; I139-F188 HydrophobicContact CG2-CZ 3.91Å
140V95.8Very high92.4Very high59 Ų5968.6 Ų68.636%0.35835%0.352SS..PPolyproline II helixtrans-86140.3171.5-1790000109.6T104 A138 E142T104-V140 HydrophobicContact CG2-CG2 4.35Å; A138-V140 PolarHBondContact O-N 2.87Å; V140-E142 HydrophobicContact CG1-CG 4.37Å; V140-E142 PolarHBondContact O-N 2.97Å
141Y94.9Very high92.1Very high24 Ų2470.2 Ų70.29%0.09436%0.363CS..PPolyproline II helixtrans-73.5119.4167.5-178.1-95.5000110.6T104 G143 D145 M150 C151 R152 N172T104-Y141 PolarHBondContact O-N 2.86Å; Y141-G143 VanDerWaalsContact CE1-CA 3.47Å; Y141-G143 VanDerWaalsContact CE1-N 3.33Å; Y141-G143 VanDerWaalsContact CE1-O 3.23Å; Y141-G143 WeakPolarHBondContact CE1-O 3.33Å; Y141-G143 VanDerWaalsContact CZ-CA 3.43Å; Y141-D145 WeakPolarHBondContact OH-CB 3.43Å; Y141-M150 WeakPolarHBondContact CE2-O 3.34Å; Y141-M150 PolarHBondContact OH-O 2.86Å; Y141-C151 HydrophobicContact CD1-CB 4.32Å; Y141-C151 VanDerWaalsContact CE1-CA 3.46Å; Y141-C151 HydrophobicContact CE1-CB 3.91Å; Y141-R152 VanDerWaalsContact CD2-O 3.25Å; Y141-R152 WeakPolarHBondContact CD2-O 3.39Å; Y141-R152 WeakPolarHBondContact CE2-O 3.21Å; Y141-N172 HydrophobicContact CE2-CB 4.4Å
142E92.2Very high91.9Very high87 Ų8771.5 Ų71.541%0.40737%0.367SS..  trans-119.118.6-178.3-61.1175.7-151.600111.8V140 K177V140-E142 HydrophobicContact CG1-CG 4.37Å; V140-E142 PolarHBondContact O-N 2.97Å; E142-K177 VanDerWaalsContact OE1-CE 3.31Å; E142-K177 WeakPolarHBondContact OE1-CE 3.17Å; E142-K177 IonicContact OE1-NZ 2.69Å; E142-K177 PolarHBondContact OE1-NZ 2.88Å; E142-K177 VanDerWaalsContact OE2-CD 3.25Å; E142-K177 WeakPolarHBondContact OE2-CD 3.05Å; E142-K177 WeakPolarHBondContact OE2-CE 3.26Å; E142-K177 IonicContact OE2-NZ 3.16Å; E142-K177 PolarHBondContact OE2-NZ 2.96Å
143G87.4Confident91.8Very high27 Ų2771 Ų7128%0.27836%0.364SS..  trans-79156.1-178.700000113.7Y141Y141-G143 VanDerWaalsContact CE1-CA 3.47Å; Y141-G143 VanDerWaalsContact CE1-N 3.33Å; Y141-G143 VanDerWaalsContact CE1-O 3.23Å; Y141-G143 WeakPolarHBondContact CE1-O 3.33Å; Y141-G143 VanDerWaalsContact CZ-CA 3.43Å
144Q87.1Confident91.8Very high195 Ų19570.4 Ų70.491%0.91136%0.36SS*.  trans-108.238.3177.4-62.4178.1-19.900111.2
145D86.7Confident91.5Very high68 Ų6863.8 Ų63.836%0.36433%0.328SS..  trans-69144.8178.4-153.5-48.1000110.4Y141 N147 M150Y141-D145 WeakPolarHBondContact OH-CB 3.43Å; D145-N147 PolarHBondContact OD1-N 2.85Å; D145-M150 HydrophobicContact CB-CB 3.99Å; D145-M150 VanDerWaalsContact CG-CB 3.46Å; D145-M150 VanDerWaalsContact OD2-CB 3.29Å; D145-M150 WeakPolarHBondContact OD2-CB 3.32Å
146K89Confident90.8Very high208 Ų20861.5 Ų61.590%0.90431%0.314SS*.SBendtrans-86.7-18180-65.3-171.8178.7-173.30112.4P148K146-P148 WeakPolarHBondContact O-CD 3.39Å
147N86.8Confident89.4Confident61 Ų6162.2 Ų62.233%0.32632%0.319SS..SBendtrans-90.3116.7174.3-1793.7000109.8D145 E149 M150 C151D145-N147 PolarHBondContact OD1-N 2.85Å; N147-E149 PolarHBondContact O-N 3.24Å; N147-E149 VanDerWaalsContact O-N 3.09Å; N147-E149 PolarHBondContact OD1-N 3.16Å; N147-M150 HydrophobicContact CB-CB 4.3Å; N147-M150 HydrophobicContact CB-CG 3.91Å; N147-M150 WeakPolarHBondContact O-CB 3.19Å; N147-M150 PolarHBondContact O-N 2.79Å; N147-C151 PolarHBondContact O-SG 3.49Å
148P87.6Confident88Confident100 Ų10062.7 Ų62.765%0.64932%0.321SS*.G310 helixtrans-53.6-30.3175.8-26.735.7000114K146 M150 C151K146-P148 WeakPolarHBondContact O-CD 3.39Å; P148-M150 PolarHBondContact O-N 3.18Å; P148-C151 WeakPolarHBondContact O-CB 3.3Å; P148-C151 PolarHBondContact O-N 2.85Å
149E84.9Confident86.2Confident101 Ų10163.6 Ų63.647%0.47232%0.323SS..G310 helixtrans-66.3-25.7178-61.1-174.5145.100113.4N147 R152 L155N147-E149 PolarHBondContact O-N 3.24Å; N147-E149 VanDerWaalsContact O-N 3.09Å; N147-E149 PolarHBondContact OD1-N 3.16Å; E149-R152 PolarHBondContact O-NH1 2.98Å; E149-L155 WeakPolarHBondContact O-CD2 3.22Å
150M85.9Confident84.3Confident32 Ų3268.4 Ų68.416%0.15835%0.347CS..G310 helixtrans-88.3-6.8178.6-61.8-64.7-65.200112.6Y141 D145 N147 P148 R152 L155 N172Y141-M150 WeakPolarHBondContact CE2-O 3.34Å; Y141-M150 PolarHBondContact OH-O 2.86Å; D145-M150 HydrophobicContact CB-CB 3.99Å; D145-M150 VanDerWaalsContact CG-CB 3.46Å; D145-M150 VanDerWaalsContact OD2-CB 3.29Å; D145-M150 WeakPolarHBondContact OD2-CB 3.32Å; N147-M150 HydrophobicContact CB-CB 4.3Å; N147-M150 HydrophobicContact CB-CG 3.91Å; N147-M150 WeakPolarHBondContact O-CB 3.19Å; N147-M150 PolarHBondContact O-N 2.79Å; P148-M150 PolarHBondContact O-N 3.18Å; M150-R152 PolarHBondContact O-N 2.73Å; M150-L155 HydrophobicContact CE-CD1 3.76Å; M150-L155 HydrophobicContact SD-CD1 3.76Å; M150-N172 PolarHBondContact O-ND2 3.32Å
151C91.7Very high82.2Confident35 Ų3569.5 Ų69.524%0.23636%0.356CS..  trans-78.345.5-177.7-65.80000113.3N105 Y141 N147 P148N105-C151 VanDerWaalsContact CB-O 3.32Å; N105-C151 WeakPolarHBondContact CB-O 3.42Å; Y141-C151 HydrophobicContact CD1-CB 4.32Å; Y141-C151 VanDerWaalsContact CE1-CA 3.46Å; Y141-C151 HydrophobicContact CE1-CB 3.91Å; N147-C151 PolarHBondContact O-SG 3.49Å; P148-C151 WeakPolarHBondContact O-CB 3.3Å; P148-C151 PolarHBondContact O-N 2.85Å
152R93.1Very high79.9Confident34 Ų3477.2 Ų77.213%0.12839%0.385CS..SBendtrans-138.1147.8-173.4-60.3-179176.3110.5-1111.3E94 N105 Y141 E149 M150 L155 N172E94-R152 IonicContact OE1-NH2 2.75Å; E94-R152 PolarHBondContact OE1-NH2 2.9Å; E94-R152 IonicContact OE2-CZ 2.75Å; E94-R152 IonicContact OE2-NE 3.21Å; E94-R152 PolarHBondContact OE2-NE 2.89Å; E94-R152 IonicContact OE2-NH2 3.15Å; E94-R152 PolarHBondContact OE2-NH2 3.23Å; N105-R152 CarbonylContact O-C 3.5Å; N105-R152 VanDerWaalsContact O-CA 3.29Å; N105-R152 WeakPolarHBondContact O-CA 3.41Å; Y141-R152 VanDerWaalsContact CD2-O 3.25Å; Y141-R152 WeakPolarHBondContact CD2-O 3.39Å; Y141-R152 WeakPolarHBondContact CE2-O 3.21Å; E149-R152 PolarHBondContact O-NH1 2.98Å; M150-R152 PolarHBondContact O-N 2.73Å; R152-L155 HydrophobicContact CB-CD2 4.06Å; R152-N172 WeakPolarHBondContact O-CB 3.49Å
153V95.1Very high78.3Confident0 Ų078.7 Ų78.70%039%0.391CS..SBendtrans-67.8-37.8173.9176.20000111.5N105 N106 L130 I139 C171 N172 Q173N105-V153 PolarHBondContact O-N 3.33Å; N106-V153 HydrophobicContact CB-CB 3.74Å; N106-V153 HydrophobicContact CB-CG1 4.4Å; N106-V153 HydrophobicContact CB-CG2 3.67Å; L130-V153 HydrophobicContact CB-CG1 4.15Å; L130-V153 HydrophobicContact CD1-CG1 3.82Å; L130-V153 HydrophobicContact CG-CG1 4.16Å; I139-V153 HydrophobicContact CB-CG1 4.3Å; I139-V153 HydrophobicContact CG2-CG1 4.11Å; I139-V153 HydrophobicContact CG2-CG2 4.13Å; V153-C171 CarbonylContact O-C 3.56Å; V153-C171 VanDerWaalsContact O-CA 3.28Å; V153-C171 WeakPolarHBondContact O-CA 3.44Å; V153-C171 PolarHBondContact O-SG 3.26Å; V153-N172 PolarHBondContact O-N 2.82Å; V153-Q173 HydrophobicContact CG1-CB 4.15Å; V153-Q173 HydrophobicContact CG2-CB 4.27Å
154L94.6Very high77.7Confident1 Ų182.7 Ų82.71%0.00540%0.4CS..EExtended strand (participates in β ladder)trans-122.7139.1-178.8-71176.7000111.5F68 I108 V128 L130 L169 K170 C171F68-L154 HydrophobicContact CE1-CD2 4.22Å; F68-L154 HydrophobicContact CZ-CD2 4.07Å; I108-L154 HydrophobicContact CD1-CB 4.11Å; I108-L154 HydrophobicContact CG1-CB 3.95Å; I108-L154 HydrophobicContact CG1-CD1 4.48Å; V128-L154 HydrophobicContact CG1-CD1 4.32Å; L130-L154 HydrophobicContact CD1-CD2 3.93Å; L130-L154 HydrophobicContact CD1-CG 4.48Å; L130-L154 HydrophobicContact CD2-CD1 4.49Å; L130-L154 HydrophobicContact CD2-CD2 4.21Å; L130-L154 HydrophobicContact CG-CD1 4.14Å; L130-L154 HydrophobicContact CG-CD2 3.85Å; L130-L154 HydrophobicContact CG-CG 4.06Å; L154-L169 HydrophobicContact CB-CD2 4.29Å; L154-L169 HydrophobicContact CD1-CD2 3.85Å; L154-L169 HydrophobicContact CD2-CD2 3.92Å; L154-L169 HydrophobicContact CG-CD2 4.24Å; L154-K170 WeakPolarHBondContact CA-O 3.22Å; L154-C171 HydrophobicContact CD2-CB 4.44Å
155L89.5Confident77.4Confident17 Ų1773.4 Ų73.49%0.08936%0.357CS..EExtended strand (participates in β ladder)trans-125.8145175.9-58.8172.6000109.2E149 M150 R152 L169 K170 N172E149-L155 WeakPolarHBondContact O-CD2 3.22Å; M150-L155 HydrophobicContact CE-CD1 3.76Å; M150-L155 HydrophobicContact SD-CD1 3.76Å; R152-L155 HydrophobicContact CB-CD2 4.06Å; L155-L169 CarbonylContact O-C 3.59Å; L155-L169 VanDerWaalsContact O-CA 3.3Å; L155-L169 WeakPolarHBondContact O-CA 3.48Å; L155-K170 HydrophobicContact CB-CB 4.33Å; L155-K170 PolarHBondContact N-O 3.23Å; L155-K170 PolarHBondContact O-N 3.41Å; L155-N172 HydrophobicContact CD1-CB 4.12Å
156T81.3Confident77.5Confident42 Ų4273.2 Ų73.226%0.25835%0.353SS..EExtended strand (participates in β ladder)trans-97.7158.3-177.5-165.30000112.6F89 F92F89-T156 HydrophobicContact CD2-CG2 4.09Å; F89-T156 HydrophobicContact CE2-CG2 3.78Å; F89-T156 HydrophobicContact CZ-CG2 4.05Å; F92-T156 HydrophobicContact CZ-CG2 4.18Å
157H65.7Low77.6Confident115 Ų11563.3 Ų63.353%0.53231%0.31SS..EExtended strand (participates in β ladder)trans-119.5-72.6154.7-169.6-94.3000108.7F67 F168F67-H157 HydrophobicContact CD1-CB 4.33Å; F67-H157 HydrophobicContact CE1-CB 3.83Å; F67-H157 HydrophobicContact CZ-CB 4.39Å; H157-F168 HydrophobicContact CB-CB 4.5Å; H157-F168 PolarHBondContact N-O 3.34Å
158E65.6Low77.8Confident98 Ų9862.9 Ų62.946%0.45831%0.305SS..EExtended strand (participates in β ladder)trans-152.2171.8-171.6-72.7174.8143.900111.6F168E158-F168 PolarHBondContact O-N 3.27Å
159I60Low78.1Confident31 Ų3158.1 Ų58.116%0.15928%0.275CS..EExtended strand (participates in β ladder)trans-135.9148.8175.4-147.4173.9000109.4T87 Y110 L165 F167T87-I159 VanDerWaalsContact OG1-CG2 3.29Å; T87-I159 WeakPolarHBondContact OG1-CG2 3.4Å; Y110-I159 HydrophobicContact CD1-CD1 3.72Å; Y110-I159 HydrophobicContact CE1-CD1 3.77Å; Y110-I159 HydrophobicContact CG-CD1 4.2Å; I159-L165 HydrophobicContact CD1-CD1 3.78Å; I159-L165 HydrophobicContact CD1-CD2 4.38Å; I159-L165 HydrophobicContact CD1-CG 4.18Å; I159-L165 HydrophobicContact CG1-CD1 3.88Å; I159-L165 HydrophobicContact CG1-CG 4.48Å; I159-F167 HydrophobicContact CD1-CD1 3.83Å; I159-F167 HydrophobicContact CD1-CE1 3.61Å; I159-F167 HydrophobicContact CD1-CZ 4.2Å; I159-F167 HydrophobicContact CG1-CD1 4.25Å; I159-F167 HydrophobicContact CG1-CE1 4.46Å
160M55.5Low78.5Confident102 Ų10254.2 Ų54.250%0.50226%0.256SS..EExtended strand (participates in β ladder)trans-148.1159.8-176.2-61.8-175.678.500114.3K166 F168M160-K166 PolarHBondContact N-O 2.65Å; M160-K166 PolarHBondContact O-N 3.42Å; M160-F168 HydrophobicContact SD-CE2 4.48Å
161C51Low79Confident82 Ų8252.7 Ų52.755%0.55425%0.248SC*.  trans87.7157.4164.8-64.60000119.3F164C161-F164 VanDerWaalsContact CB-O 3.24Å; C161-F164 WeakPolarHBondContact CB-O 3.35Å
162R48.2Very low79.1Confident186 Ų18651.4 Ų51.470%0.70224%0.239SC*.SBendtrans-89.9-33.8-168.6-79.7-179.2162.9175-8.4116.3I84I84-R162 PolarHBondContact N-O 3.32Å; I84-R162 VanDerWaalsContact O-O 3.12Å
163F57.9Low79.2Confident118 Ų11850.2 Ų50.252%0.51824%0.235SC..SBendtrans-121.8-27.3-178.1-66.3-73.2000113.3E83E83-F163 HydrophobicContact CB-CD1 4.26Å; E83-F163 HydrophobicContact CB-CE1 3.9Å; E83-F163 VanDerWaalsContact CD-CE1 3.44Å; E83-F163 HydrophobicContact CG-CD1 4.05Å; E83-F163 HydrophobicContact CG-CE1 3.57Å; E83-F163 HydrophobicContact CG-CZ 4.17Å
164F73.7Confident79.2Confident110 Ų11052 Ų5248%0.48225%0.245SC..SBendtrans-118.9111.4-179.7-68.4-64.5000108.3E55 V71 C161 K166E55-F164 HydrophobicContact CG-CD1 3.96Å; E55-F164 HydrophobicContact CG-CE1 3.86Å; V71-F164 HydrophobicContact CG1-CB 3.66Å; V71-F164 HydrophobicContact CG1-CD1 4.29Å; V71-F164 HydrophobicContact CG1-CG 4.32Å; C161-F164 VanDerWaalsContact CB-O 3.24Å; C161-F164 WeakPolarHBondContact CB-O 3.35Å; F164-K166 PolarHBondContact O-N 2.92Å
165L81.4Confident79.2Confident0 Ų052 Ų520%025%0.245CC..EExtended strand (participates in β ladder)trans-80.5106.9-175.2-16753.9000109.7V71 L72 I84 T87 L112 I159 F167V71-L165 WeakPolarHBondContact CA-O 3.07Å; L72-L165 PolarHBondContact N-O 3.31Å; L72-L165 PolarHBondContact O-N 3.07Å; I84-L165 HydrophobicContact CD1-CB 3.74Å; I84-L165 HydrophobicContact CD1-CD1 4.42Å; I84-L165 HydrophobicContact CD1-CD2 4.19Å; I84-L165 HydrophobicContact CD1-CG 4.34Å; T87-L165 HydrophobicContact CG2-CD1 3.63Å; L112-L165 HydrophobicContact CD1-CD2 3.94Å; L112-L165 HydrophobicContact CD2-CD2 3.85Å; I159-L165 HydrophobicContact CD1-CD1 3.78Å; I159-L165 HydrophobicContact CD1-CD2 4.38Å; I159-L165 HydrophobicContact CD1-CG 4.18Å; I159-L165 HydrophobicContact CG1-CD1 3.88Å; I159-L165 HydrophobicContact CG1-CG 4.48Å; L165-F167 HydrophobicContact CB-CE2 3.94Å; L165-F167 HydrophobicContact CD2-CE1 4.27Å; L165-F167 HydrophobicContact CD2-CE2 3.48Å; L165-F167 VanDerWaalsContact CD2-CE2 3.48Å; L165-F167 HydrophobicContact CD2-CZ 3.3Å; L165-F167 HydrophobicContact CG-CD2 4.08Å; L165-F167 HydrophobicContact CG-CE1 4.5Å; L165-F167 HydrophobicContact CG-CE2 3.41Å; L165-F167 VanDerWaalsContact CG-CE2 3.41Å; L165-F167 HydrophobicContact CG-CZ 3.66Å; L165-F167 WeakPolarHBondContact O-CD2 3.35Å
166K89.2Confident79.3Confident65 Ų6552.9 Ų52.928%0.28325%0.249SC..EExtended strand (participates in β ladder)trans-96.8116.6179.4-169.9175.9-177.8-171.60110.5V71 M160 F164 F168V71-K166 HydrophobicContact CG2-CB 4.28Å; V71-K166 HydrophobicContact CG2-CD 4.48Å; V71-K166 HydrophobicContact CG2-CG 4.03Å; M160-K166 PolarHBondContact N-O 2.65Å; M160-K166 PolarHBondContact O-N 3.42Å; F164-K166 PolarHBondContact O-N 2.92Å; K166-F168 HydrophobicContact CD-CE2 3.76Å; K166-F168 HydrophobicContact CD-CZ 3.72Å; K166-F168 HydrophobicContact CG-CD2 4.41Å; K166-F168 HydrophobicContact CG-CE2 3.85Å; K166-F168 HydrophobicContact CG-CZ 4.19Å
167F90.6Very high79.6Confident0 Ų056.6 Ų56.60%026%0.262CS..EExtended strand (participates in β ladder)trans-98.8132.2-178.9-72.2-91.2000110.9H69 F70 L72 Y110 F126 V128 I159 L165 L169H69-F167 WeakPolarHBondContact CA-O 3.39Å; H69-F167 WeakPolarHBondContact CB-O 3.5Å; F70-F167 HydrophobicContact CD1-CB 4.23Å; F70-F167 HydrophobicContact CD2-CB 4.29Å; F70-F167 AromaticContact CD2-CD2 3.86Å; F70-F167 HydrophobicContact CD2-CD2 3.86Å; F70-F167 HydrophobicContact CD2-CG 4.36Å; F70-F167 HydrophobicContact CE1-CB 3.76Å; F70-F167 HydrophobicContact CE1-CG 4.28Å; F70-F167 HydrophobicContact CE2-CB 3.85Å; F70-F167 HydrophobicContact CE2-CD1 4.44Å; F70-F167 AromaticContact CE2-CD2 3.25Å; F70-F167 HydrophobicContact CE2-CD2 3.25Å; F70-F167 AromaticContact CE2-CE2 3.81Å; F70-F167 HydrophobicContact CE2-CE2 3.81Å; F70-F167 AromaticContact CE2-CG 3.61Å; F70-F167 HydrophobicContact CE2-CG 3.61Å; F70-F167 HydrophobicContact CG-CB 4.46Å; F70-F167 HydrophobicContact CZ-CB 3.55Å; F70-F167 HydrophobicContact CZ-CD1 4.13Å; F70-F167 AromaticContact CZ-CD2 3.73Å; F70-F167 HydrophobicContact CZ-CD2 3.73Å; F70-F167 HydrophobicContact CZ-CE2 4.41Å; F70-F167 AromaticContact CZ-CG 3.55Å; F70-F167 HydrophobicContact CZ-CG 3.55Å; F70-F167 PolarHBondContact O-N 3.41Å; F70-F167 VanDerWaalsContact O-N 3.16Å; L72-F167 HydrophobicContact CD1-CE2 3.8Å; L72-F167 HydrophobicContact CD1-CZ 4.49Å; L72-F167 HydrophobicContact CG-CE2 4.14Å; Y110-F167 HydrophobicContact CD2-CD1 4.47Å; Y110-F167 AromaticContact CD2-CE1 3.79Å; Y110-F167 HydrophobicContact CD2-CE1 3.79Å; Y110-F167 AromaticContact CE2-CD1 3.81Å; Y110-F167 HydrophobicContact CE2-CD1 3.81Å; Y110-F167 AromaticContact CE2-CE1 3.58Å; Y110-F167 HydrophobicContact CE2-CE1 3.58Å; Y110-F167 HydrophobicContact CG-CE1 4.42Å; Y110-F167 AromaticContact CZ-CD1 3.97Å; F126-F167 HydrophobicContact CD1-CE1 4.47Å; F126-F167 HydrophobicContact CD1-CZ 4.04Å; F126-F167 HydrophobicContact CE1-CE1 4.26Å; F126-F167 HydrophobicContact CE1-CE2 4.35Å; F126-F167 AromaticContact CE1-CZ 3.53Å; F126-F167 HydrophobicContact CE1-CZ 3.53Å; F126-F167 HydrophobicContact CZ-CZ 4.31Å; V128-F167 HydrophobicContact CG2-CD1 3.97Å; V128-F167 HydrophobicContact CG2-CE1 3.58Å; V128-F167 HydrophobicContact CG2-CZ 4.12Å; I159-F167 HydrophobicContact CD1-CD1 3.83Å; I159-F167 HydrophobicContact CD1-CE1 3.61Å; I159-F167 HydrophobicContact CD1-CZ 4.2Å; I159-F167 HydrophobicContact CG1-CD1 4.25Å; I159-F167 HydrophobicContact CG1-CE1 4.46Å; L165-F167 HydrophobicContact CB-CE2 3.94Å; L165-F167 HydrophobicContact CD2-CE1 4.27Å; L165-F167 HydrophobicContact CD2-CE2 3.48Å; L165-F167 VanDerWaalsContact CD2-CE2 3.48Å; L165-F167 HydrophobicContact CD2-CZ 3.3Å; L165-F167 HydrophobicContact CG-CD2 4.08Å; L165-F167 HydrophobicContact CG-CE1 4.5Å; L165-F167 HydrophobicContact CG-CE2 3.41Å; L165-F167 VanDerWaalsContact CG-CE2 3.41Å; L165-F167 HydrophobicContact CG-CZ 3.66Å; L165-F167 WeakPolarHBondContact O-CD2 3.35Å; F167-L169 HydrophobicContact CB-CD1 3.6Å; F167-L169 HydrophobicContact CD1-CD1 4.19Å; F167-L169 HydrophobicContact CG-CD1 4.36Å
168F91Very high80.7Confident52 Ų5257.9 Ų57.923%0.22827%0.272CS..EExtended strand (participates in β ladder)trans-117.1106.4172.1-67.3-91.2000110.9H69 H157 E158 M160 K166H69-F168 HydrophobicContact CB-CD1 3.92Å; H69-F168 HydrophobicContact CB-CE1 4.16Å; H69-F168 HydrophobicContact CB-CG 4.44Å; H157-F168 HydrophobicContact CB-CB 4.5Å; H157-F168 PolarHBondContact N-O 3.34Å; E158-F168 PolarHBondContact O-N 3.27Å; M160-F168 HydrophobicContact SD-CE2 4.48Å; K166-F168 HydrophobicContact CD-CE2 3.76Å; K166-F168 HydrophobicContact CD-CZ 3.72Å; K166-F168 HydrophobicContact CG-CD2 4.41Å; K166-F168 HydrophobicContact CG-CE2 3.85Å; K166-F168 HydrophobicContact CG-CZ 4.19Å
169L93.3Very high81.6Confident0 Ų058.4 Ų58.40%029%0.294CS..EExtended strand (participates in β ladder)trans-125.6165.4-176.1-74.880.8000111F67 F68 F70 I108 V128 L154 L155 F167F67-L169 CarbonylContact C-O 3.6Å; F67-L169 VanDerWaalsContact CA-O 3.26Å; F67-L169 WeakPolarHBondContact CA-O 3.41Å; F68-L169 HydrophobicContact CD1-CB 4.32Å; F68-L169 WeakPolarHBondContact CD1-O 3.33Å; F68-L169 HydrophobicContact CE1-CB 3.68Å; F68-L169 HydrophobicContact CZ-CB 3.8Å; F68-L169 PolarHBondContact N-O 3.07Å; F68-L169 PolarHBondContact O-N 3.02Å; F68-L169 VanDerWaalsContact O-O 3.11Å; F70-L169 HydrophobicContact CE1-CD1 4.18Å; I108-L169 HydrophobicContact CD1-CD2 3.48Å; I108-L169 VanDerWaalsContact CD1-CD2 3.48Å; I108-L169 HydrophobicContact CD1-CG 3.76Å; I108-L169 HydrophobicContact CG1-CD2 4.13Å; V128-L169 HydrophobicContact CG1-CD2 3.93Å; L154-L169 HydrophobicContact CB-CD2 4.29Å; L154-L169 HydrophobicContact CD1-CD2 3.85Å; L154-L169 HydrophobicContact CD2-CD2 3.92Å; L154-L169 HydrophobicContact CG-CD2 4.24Å; L155-L169 CarbonylContact O-C 3.59Å; L155-L169 VanDerWaalsContact O-CA 3.3Å; L155-L169 WeakPolarHBondContact O-CA 3.48Å; F167-L169 HydrophobicContact CB-CD1 3.6Å; F167-L169 HydrophobicContact CD1-CD1 4.19Å; F167-L169 HydrophobicContact CG-CD1 4.36Å
170K93.6Very high82.8Confident19 Ų1960.1 Ų60.18%0.08332%0.319CS..EExtended strand (participates in β ladder)trans-129.6133.3168.5169.6172.7174.2170.90109.2K64 S65 F67 L154 L155K64-K170 WeakPolarHBondContact O-CE 3.45Å; S65-K170 WeakPolarHBondContact O-CE 3.42Å; S65-K170 PolarHBondContact O-NZ 2.86Å; F67-K170 HydrophobicContact CD1-CB 3.76Å; F67-K170 HydrophobicContact CE1-CB 3.87Å; F67-K170 HydrophobicContact CG-CB 4.35Å; L154-K170 WeakPolarHBondContact CA-O 3.22Å; L155-K170 HydrophobicContact CB-CB 4.33Å; L155-K170 PolarHBondContact N-O 3.23Å; L155-K170 PolarHBondContact O-N 3.41Å
171C96.1Very high84Confident0 Ų062.2 Ų62.20%033%0.332CS..EExtended strand (participates in β ladder)trans-93.1123.6174.7-176.80000110L62 F68 L130 V153 L154 Q173 V211L62-C171 HydrophobicContact CD2-CB 4.2Å; F68-C171 HydrophobicContact CE1-CB 4.19Å; L130-C171 HydrophobicContact CD1-CB 4.23Å; L130-C171 WeakPolarHBondContact CD1-SG 3.44Å; V153-C171 CarbonylContact O-C 3.56Å; V153-C171 VanDerWaalsContact O-CA 3.28Å; V153-C171 WeakPolarHBondContact O-CA 3.44Å; V153-C171 PolarHBondContact O-SG 3.26Å; L154-C171 HydrophobicContact CD2-CB 4.44Å; C171-Q173 PolarHBondContact SG-O 3.42Å; C171-Q173 VanDerWaalsContact SG-O 3.37Å; C171-V211 HydrophobicContact CB-CG1 4.21Å; C171-V211 HydrophobicContact CB-CG2 4.31Å
172N94.9Very high85.4Confident7 Ų761.7 Ų61.74%0.03733%0.328CS..  trans-102.310.6178.7-153.440000113.3K64 Y141 M150 R152 V153 L155K64-N172 WeakPolarHBondContact CE-O 3.23Å; K64-N172 WeakPolarHBondContact CE-OD1 3.3Å; K64-N172 PolarHBondContact NZ-O 2.89Å; Y141-N172 HydrophobicContact CE2-CB 4.4Å; M150-N172 PolarHBondContact O-ND2 3.32Å; R152-N172 WeakPolarHBondContact O-CB 3.49Å; V153-N172 PolarHBondContact O-N 2.82Å; L155-N172 HydrophobicContact CD1-CB 4.12Å
173Q94.8Very high87Confident10 Ų1064.4 Ų64.45%0.04734%0.338CS..SBendtrans-109.9136.7173.1-176.852.447.400110.2I139 V153 C171 F188 V211I139-Q173 HydrophobicContact CG2-CB 4.42Å; I139-Q173 HydrophobicContact CG2-CG 3.8Å; V153-Q173 HydrophobicContact CG1-CB 4.15Å; V153-Q173 HydrophobicContact CG2-CB 4.27Å; C171-Q173 PolarHBondContact SG-O 3.42Å; C171-Q173 VanDerWaalsContact SG-O 3.37Å; Q173-F188 HydrophobicContact CB-CE2 4.36Å; Q173-F188 HydrophobicContact CG-CE2 4.25Å; Q173-F188 HydrophobicContact CG-CZ 4.04Å; Q173-V211 VanDerWaalsContact O-CG1 3.24Å; Q173-V211 WeakPolarHBondContact O-CG1 3.37Å
174N94.8Very high87.9Confident38 Ų3863 Ų6320%0.20334%0.336CS..  trans-84.7147.7171.7-66.7-34.3000109.5K64 L176 F188K64-N174 WeakPolarHBondContact CD-OD1 3.14Å; N174-L176 VanDerWaalsContact C-N 3.33Å; N174-L176 WeakPolarHBondContact CB-O 3.35Å; N174-F188 WeakPolarHBondContact O-CZ 3.46Å
175C94.7Very high88.4Confident0 Ų064.8 Ų64.80%035%0.348CS..SBendtrans-64-41.7167.4-66.10000111.3R186 F188 F210 V211C175-R186 VanDerWaalsContact CB-O 3.26Å; C175-R186 WeakPolarHBondContact CB-O 3.37Å; C175-R186 WeakPolarHBondContact O-CD 3.1Å; C175-F188 HydrophobicContact CB-CE1 4.28Å; C175-F188 HydrophobicContact CB-CZ 4.19Å; C175-F210 HydrophobicContact CB-CD2 3.96Å; C175-F210 HydrophobicContact CB-CE2 4.07Å; C175-V211 PolarHBondContact N-O 3.16Å; C175-V211 PolarHBondContact SG-N 3.25Å
176L92.1Very high89.1Confident36 Ų3666.6 Ų66.619%0.18835%0.354CS..  trans-93.8126.4176.3-55.3176.5000110.5N174 P182 D184 F210N174-L176 VanDerWaalsContact C-N 3.33Å; N174-L176 WeakPolarHBondContact CB-O 3.35Å; L176-P182 HydrophobicContact CD1-CB 3.71Å; L176-P182 HydrophobicContact CD1-CG 3.54Å; L176-P182 HydrophobicContact CD2-CB 4.37Å; L176-D184 HydrophobicContact CD2-CB 4.25Å; L176-D184 WeakPolarHBondContact CD2-O 3.4Å; L176-F210 HydrophobicContact CD1-CE2 4.04Å; L176-F210 HydrophobicContact CD1-CZ 3.81Å; L176-F210 HydrophobicContact CD2-CE2 4.48Å; L176-F210 HydrophobicContact CG-CE2 3.95Å; L176-F210 HydrophobicContact CG-CZ 4.2Å
177K88.3Confident89.4Confident119 Ų11967.1 Ų67.152%0.51736%0.355SS..  trans-74.7-41.9179.9-55.7-175.3179.8-1540112.2E142E142-K177 VanDerWaalsContact OE1-CE 3.31Å; E142-K177 WeakPolarHBondContact OE1-CE 3.17Å; E142-K177 IonicContact OE1-NZ 2.69Å; E142-K177 PolarHBondContact OE1-NZ 2.88Å; E142-K177 VanDerWaalsContact OE2-CD 3.25Å; E142-K177 WeakPolarHBondContact OE2-CD 3.05Å; E142-K177 WeakPolarHBondContact OE2-CE 3.26Å; E142-K177 IonicContact OE2-NZ 3.16Å; E142-K177 PolarHBondContact OE2-NZ 2.96Å
178N87Confident89.7Confident142 Ų14267.1 Ų67.176%0.75936%0.355SS*.SBendtrans-110.8158.3-170-60.9-16.8000112.1
179A85.5Confident90.1Very high110 Ų11065.8 Ų65.891%0.90935%0.349SS*.SBendtrans-72.7158.6166.900000111.5
180G84.7Confident90.3Very high67 Ų6765.8 Ų65.869%0.69135%0.349SS*.SBendtrans126.9-177.8-18000000112.5
181N80.8Confident90.5Very high145 Ų14564.9 Ų64.978%0.77535%0.345SS*.SBendtrans-70.3129171.9-17141.4000109.5R183N181-R183 PolarHBondContact O-N 3.23Å
182P80.8Confident90.6Very high71 Ų7164.9 Ų64.946%0.46135%0.345SS..  trans-60.2113.5180-22.333.4000111.4L176L176-P182 HydrophobicContact CD1-CB 3.71Å; L176-P182 HydrophobicContact CD1-CG 3.54Å; L176-P182 HydrophobicContact CD2-CB 4.37Å
183R81Confident90.7Very high244 Ų24464.6 Ų64.692%0.92134%0.343SS*.  trans-96.1-36164.8-65.6-173.6180-173.30111.4N181N181-R183 PolarHBondContact O-N 3.23Å
184D76.6Confident90.8Very high88 Ų8866 Ų6647%0.47135%0.353SS..  trans-76.6133.9170.7-175.30.8000109.6L176 R186L176-D184 HydrophobicContact CD2-CB 4.25Å; L176-D184 WeakPolarHBondContact CD2-O 3.4Å; D184-R186 WeakPolarHBondContact OD1-CB 3.48Å; D184-R186 PolarHBondContact OD1-N 3.04Å
185M85.8Confident90.8Very high147 Ų14767.5 Ų67.572%0.72436%0.363SS*.  trans-103.217.6178.5-70.5-172.863.200112.9R187M185-R187 PolarHBondContact O-N 2.81Å
186R94.4Very high90.8Very high38 Ų3868.7 Ų68.714%0.14337%0.371CS..  trans-43129.1176.6-164.2176-167.5-161.56.3112.3D132 C175 D184 F188D132-R186 WeakPolarHBondContact OD2-CG 3.03Å; D132-R186 IonicContact OD2-CZ 2.66Å; D132-R186 IonicContact OD2-NE 3.51Å; D132-R186 PolarHBondContact OD2-NE 3.01Å; D132-R186 IonicContact OD2-NH2 3.57Å; C175-R186 VanDerWaalsContact CB-O 3.26Å; C175-R186 WeakPolarHBondContact CB-O 3.37Å; C175-R186 WeakPolarHBondContact O-CD 3.1Å; D184-R186 WeakPolarHBondContact OD1-CB 3.48Å; D184-R186 PolarHBondContact OD1-N 3.04Å; R186-F188 HydrophobicContact CG-CE1 4.23Å
187R96.2Very high90.9Very high77 Ų7769.9 Ų69.929%0.29138%0.377SS..  trans-136.1153.7175.7-72.4163.7-175.4-81.4-2.6108.8S133 M185 N208 M209S133-R187 WeakPolarHBondContact CB-O 3.29Å; S133-R187 PolarHBondContact N-O 3.17Å; S133-R187 WeakPolarHBondContact OG-CB 3.39Å; S133-R187 PolarHBondContact OG-O 3.21Å; S133-R187 VanDerWaalsContact OG-O 3.06Å; M185-R187 PolarHBondContact O-N 2.81Å; R187-N208 HydrophobicContact CB-CB 4.15Å; R187-M209 WeakPolarHBondContact CA-O 3.42Å
188F98.1Very high91.1Very high0 Ų064.9 Ų64.90%036%0.357CS..EExtended strand (participates in β ladder)trans-104.7152178-55.5-23.4000110L130 I131 I139 Q173 N174 C175 R186 M209 V211L130-F188 HydrophobicContact CD1-CB 4.33Å; L130-F188 HydrophobicContact CD1-CD2 3.87Å; L130-F188 HydrophobicContact CD1-CG 4.43Å; I131-F188 CarbonylContact O-C 3.58Å; I131-F188 VanDerWaalsContact O-CA 3.28Å; I131-F188 WeakPolarHBondContact O-CA 3.47Å; I139-F188 HydrophobicContact CD1-CD1 3.4Å; I139-F188 HydrophobicContact CD1-CE1 3.43Å; I139-F188 VanDerWaalsContact CD1-CE1 3.43Å; I139-F188 HydrophobicContact CD1-CG 4.28Å; I139-F188 HydrophobicContact CD1-CZ 4.3Å; I139-F188 HydrophobicContact CG1-CD1 3.7Å; I139-F188 HydrophobicContact CG1-CE1 3.87Å; I139-F188 HydrophobicContact CG1-CG 4.1Å; I139-F188 HydrophobicContact CG1-CZ 4.38Å; I139-F188 HydrophobicContact CG2-CE1 4.11Å; I139-F188 HydrophobicContact CG2-CE2 4.37Å; I139-F188 HydrophobicContact CG2-CZ 3.91Å; Q173-F188 HydrophobicContact CB-CE2 4.36Å; Q173-F188 HydrophobicContact CG-CE2 4.25Å; Q173-F188 HydrophobicContact CG-CZ 4.04Å; N174-F188 WeakPolarHBondContact O-CZ 3.46Å; C175-F188 HydrophobicContact CB-CE1 4.28Å; C175-F188 HydrophobicContact CB-CZ 4.19Å; R186-F188 HydrophobicContact CG-CE1 4.23Å; F188-M209 PolarHBondContact N-O 3.38Å; F188-M209 PolarHBondContact O-N 3.15Å; F188-V211 HydrophobicContact CD2-CB 4.32Å; F188-V211 HydrophobicContact CD2-CG2 3.74Å; F188-V211 HydrophobicContact CE2-CB 4.28Å; F188-V211 HydrophobicContact CE2-CG2 4.17Å
189Q98.3Very high91.3Very high24 Ų2462.2 Ų62.211%0.11234%0.342CS..EExtended strand (participates in β ladder)trans-121.9144.6165.8-60.6-179.7-83.700108.4L130 I131 V205 S206 N208L130-Q189 WeakPolarHBondContact CA-O 3.32Å; I131-Q189 HydrophobicContact CG1-CB 4.06Å; I131-Q189 PolarHBondContact N-O 3.09Å; I131-Q189 PolarHBondContact O-N 3.03Å; Q189-V205 HydrophobicContact CB-CG1 3.63Å; Q189-V205 HydrophobicContact CG-CG1 4.22Å; Q189-S206 PolarHBondContact NE2-O 2.91Å; Q189-N208 WeakPolarHBondContact CG-OD1 3.29Å
190V98.2Very high91.5Very high0 Ų059.2 Ų59.20%032%0.323CS..EExtended strand (participates in β ladder)trans-78.6125.5168.6-177.30000107.4F54 P58 F68 F70 V128 L130 V192 V205 S206 M209F54-V190 HydrophobicContact CZ-CB 4.31Å; F54-V190 HydrophobicContact CZ-CG1 4.34Å; P58-V190 HydrophobicContact CB-CG2 4.39Å; P58-V190 HydrophobicContact CG-CG2 4.01Å; F68-V190 HydrophobicContact CE2-CG2 4.06Å; F70-V190 HydrophobicContact CE1-CG1 3.91Å; F70-V190 HydrophobicContact CE1-CG2 4.41Å; F70-V190 HydrophobicContact CE2-CG1 4.38Å; F70-V190 HydrophobicContact CZ-CG1 3.83Å; V128-V190 HydrophobicContact CG1-CG1 3.73Å; L130-V190 HydrophobicContact CD2-CB 4.31Å; L130-V190 HydrophobicContact CD2-CG2 3.71Å; V190-V192 HydrophobicContact CG1-CG1 4.38Å; V190-V205 CarbonylContact O-C 3.53Å; V190-V205 WeakPolarHBondContact O-CA 3.36Å; V190-S206 PolarHBondContact N-OG 3.05Å; V190-S206 PolarHBondContact O-N 2.85Å; V190-M209 HydrophobicContact CG2-SD 3.81Å
191V98.2Very high91.8Very high0 Ų062.5 Ų62.50%032%0.32CS..EExtended strand (participates in β ladder)trans-110141.4171.162.80000109.5R129 I131 V198 V202 V205R129-V191 HydrophobicContact CB-CG1 3.87Å; R129-V191 PolarHBondContact N-O 2.82Å; R129-V191 WeakPolarHBondContact O-CG1 3.49Å; R129-V191 PolarHBondContact O-N 2.67Å; I131-V191 HydrophobicContact CD1-CB 4.18Å; I131-V191 HydrophobicContact CG1-CB 4.29Å; I131-V191 HydrophobicContact CG1-CG1 4.38Å; I131-V191 HydrophobicContact CG2-CB 4.39Å; I131-V191 HydrophobicContact CG2-CG1 3.68Å; V191-V198 HydrophobicContact CG1-CB 4.25Å; V191-V198 HydrophobicContact CG1-CG1 3.6Å; V191-V198 HydrophobicContact CG2-CG1 4.36Å; V191-V202 HydrophobicContact CG2-CB 3.71Å; V191-V202 HydrophobicContact CG2-CG1 3.62Å; V191-V202 HydrophobicContact CG2-CG2 3.98Å; V191-V205 HydrophobicContact CG2-CG2 4.12Å
192V97.6Very high92.6Very high0 Ų057.3 Ų57.30%029%0.293CS..EExtended strand (participates in β ladder)trans-126.8134.9176.3-66.90000111.5A52 F70 L72 F126 Y127 V128 V190 L203 A204A52-V192 HydrophobicContact CB-CG2 4.18Å; F70-V192 HydrophobicContact CE2-CG1 4.46Å; L72-V192 HydrophobicContact CD1-CB 4.27Å; L72-V192 HydrophobicContact CD1-CG1 3.94Å; L72-V192 HydrophobicContact CD1-CG2 3.9Å; F126-V192 HydrophobicContact CE1-CB 3.95Å; F126-V192 HydrophobicContact CE1-CG1 3.95Å; F126-V192 HydrophobicContact CZ-CB 3.73Å; F126-V192 HydrophobicContact CZ-CG1 4.12Å; F126-V192 HydrophobicContact CZ-CG2 4.31Å; Y127-V192 WeakPolarHBondContact O-CA 3.43Å; V128-V192 HydrophobicContact CG2-CG1 4.06Å; V190-V192 HydrophobicContact CG1-CG1 4.38Å; V192-L203 HydrophobicContact CG2-CB 4.33Å; V192-L203 WeakPolarHBondContact O-CB 3.48Å; V192-L203 PolarHBondContact O-N 2.88Å; V192-A204 HydrophobicContact CG2-CB 3.85Å; V192-A204 PolarHBondContact N-O 2.83Å; V192-A204 PolarHBondContact O-N 3.3Å
193S97.3Very high93.4Very high0 Ų054.3 Ų54.30%027%0.273CS..EExtended strand (participates in β ladder)trans-152.1159.7-168.250.90000111.6Y127 T195Y127-S193 PolarHBondContact N-O 3.43Å; Y127-S193 PolarHBondContact O-N 2.82Å; S193-T195 VanDerWaalsContact C-N 3.32Å; S193-T195 WeakPolarHBondContact CB-O 3.26Å; S193-T195 PolarHBondContact OG-O 2.79Å
194T96.2Very high94.2Very high40 Ų4043.4 Ų43.425%0.24524%0.235CC..SBendtrans-85.8-5170.950.20000113L49 Q124 Y127 L203L49-T194 HydrophobicContact CB-CG2 4.39Å; L49-T194 HydrophobicContact CD1-CG2 4.39Å; Q124-T194 HydrophobicContact CG-CG2 4.37Å; Y127-T194 WeakPolarHBondContact CE2-O 3.24Å; T194-L203 HydrophobicContact CG2-CD1 4.01Å; T194-L203 HydrophobicContact CG2-CD2 4.45Å; T194-L203 HydrophobicContact CG2-CG 4.42Å
195T95.2Very high95.2Very high69 Ų6942 Ų4242%0.42323%0.23SC..SBendtrans-131.6162179.661.80000110.7Y127 S193 N197Y127-T195 WeakPolarHBondContact CD2-O 3.49Å; S193-T195 VanDerWaalsContact C-N 3.32Å; S193-T195 WeakPolarHBondContact CB-O 3.26Å; S193-T195 PolarHBondContact OG-O 2.79Å; T195-N197 VanDerWaalsContact C-N 3.32Å; T195-N197 PolarHBondContact OG1-O 2.98Å
196V94.9Very high95.8Very high25 Ų2535 Ų3515%0.15220%0.195CC..SBendtrans-68.6-32176.9179.90000112.1V93 A99 Y127 R129V93-V196 HydrophobicContact CG1-CG1 3.59Å; V93-V196 HydrophobicContact CG2-CG1 4.37Å; A99-V196 HydrophobicContact CB-CG1 4.1Å; Y127-V196 HydrophobicContact CD1-CG2 3.86Å; Y127-V196 HydrophobicContact CE1-CG2 3.43Å; Y127-V196 VanDerWaalsContact CE1-CG2 3.43Å; Y127-V196 HydrophobicContact CE2-CG2 4.35Å; Y127-V196 HydrophobicContact CG-CG2 4.47Å; R129-V196 VanDerWaalsContact CD-O 3.3Å; R129-V196 WeakPolarHBondContact CD-O 3.42Å; R129-V196 PolarHBondContact NH1-O 3.43Å
197N93.7Very high96Very high61 Ų6137.8 Ų37.833%0.32621%0.213SC..  trans-70.9136.6-179.5-170.5-3.2000110.7A99 T195 D199A99-N197 HydrophobicContact CB-CB 4.49Å; T195-N197 VanDerWaalsContact C-N 3.32Å; T195-N197 PolarHBondContact OG1-O 2.98Å; N197-D199 PolarHBondContact OD1-N 2.92Å; N197-D199 PolarHBondContact OD1-OD2 2.98Å
198V93.4Very high96.1Very high15 Ų1537.3 Ų37.39%0.09122%0.216CC..  trans-116.5-7-177.3-64.40000113.6R129 I131 A138 V191 G200R129-V198 HydrophobicContact CB-CG1 4.35Å; R129-V198 HydrophobicContact CG-CG1 4.41Å; I131-V198 HydrophobicContact CG2-CB 4.19Å; I131-V198 HydrophobicContact CG2-CG2 3.88Å; A138-V198 HydrophobicContact CB-CG2 4.29Å; V191-V198 HydrophobicContact CG1-CB 4.25Å; V191-V198 HydrophobicContact CG1-CG1 3.6Å; V191-V198 HydrophobicContact CG2-CG1 4.36Å; V198-G200 VanDerWaalsContact C-N 3.26Å; V198-G200 PolarHBondContact O-N 3.43Å
199D90.3Very high96Very high85 Ų8537.4 Ų37.446%0.45522%0.217SC..SBendtrans-77.2-13.5176.6-58.3-56.4000112.9Q137 N197Q137-D199 PolarHBondContact NE2-OD1 2.91Å; N197-D199 PolarHBondContact OD1-N 2.92Å; N197-D199 PolarHBondContact OD1-OD2 2.98Å
200G89.3Confident95.9Very high48 Ų4837.6 Ų37.650%0.49522%0.217SC..SBendtrans-102.5-146.9-17800000114V198 V202V198-G200 VanDerWaalsContact C-N 3.26Å; V198-G200 PolarHBondContact O-N 3.43Å; G200-V202 PolarHBondContact O-N 3.14Å
201H92.6Very high95.8Very high135 Ų13537.6 Ų37.663%0.62522%0.217SC*.  trans-69.1124.1176-179.6-81.8000111.6A50A50-H201 PolarHBondContact O-CE1 2.93Å
202V96.9Very high95.5Very high36 Ų3638.6 Ų38.622%0.21822%0.222CC..  trans-122.1150.2177.2-600000110.1V191 G200 V205V191-V202 HydrophobicContact CG2-CB 3.71Å; V191-V202 HydrophobicContact CG2-CG1 3.62Å; V191-V202 HydrophobicContact CG2-CG2 3.98Å; G200-V202 PolarHBondContact O-N 3.14Å; V202-V205 HydrophobicContact CG2-CG2 3.88Å
203L97.5Very high95.3Very high8 Ų843.2 Ų43.24%0.04225%0.247CC..SBendtrans-72.9-36.7-175.8-65.2175.4000112.4L49 A52 F126 V192 T194L49-L203 HydrophobicContact CB-CD1 4.35Å; L49-L203 HydrophobicContact CB-CD2 3.94Å; L49-L203 HydrophobicContact CD1-CD1 3.89Å; A52-L203 HydrophobicContact CB-CB 3.93Å; A52-L203 PolarHBondContact N-O 3.25Å; F126-L203 HydrophobicContact CD2-CD1 4.16Å; F126-L203 HydrophobicContact CE2-CD1 3.61Å; F126-L203 HydrophobicContact CZ-CD1 4.47Å; V192-L203 HydrophobicContact CG2-CB 4.33Å; V192-L203 WeakPolarHBondContact O-CB 3.48Å; V192-L203 PolarHBondContact O-N 2.88Å; T194-L203 HydrophobicContact CG2-CD1 4.01Å; T194-L203 HydrophobicContact CG2-CD2 4.45Å; T194-L203 HydrophobicContact CG2-CG 4.42Å
204A97.7Very high95.1Very high16 Ų1646.9 Ų46.913%0.13227%0.266CS..EExtended strand (participates in β ladder)trans-164.7160.5173.400000112A52 F54 V192A52-A204 HydrophobicContact CB-CB 3.9Å; F54-A204 HydrophobicContact CD2-CB 3.99Å; F54-A204 HydrophobicContact CE2-CB 3.65Å; V192-A204 HydrophobicContact CG2-CB 3.85Å; V192-A204 PolarHBondContact N-O 2.83Å; V192-A204 PolarHBondContact O-N 3.3Å
205V98.3Very high94.7Very high57 Ų5748.4 Ų48.435%0.34528%0.278SS..EExtended strand (participates in β ladder)trans-127.7135.5170.2-177.40000108.4I131 Q189 V190 V191 V202I131-V205 HydrophobicContact CD1-CG1 4.07Å; I131-V205 HydrophobicContact CD1-CG2 4.42Å; Q189-V205 HydrophobicContact CB-CG1 3.63Å; Q189-V205 HydrophobicContact CG-CG1 4.22Å; V190-V205 CarbonylContact O-C 3.53Å; V190-V205 WeakPolarHBondContact O-CA 3.36Å; V191-V205 HydrophobicContact CG2-CG2 4.12Å; V202-V205 HydrophobicContact CG2-CG2 3.88Å
206S98.2Very high94.3Very high1 Ų152.7 Ų52.71%0.00729%0.291CS..PPolyproline II helixtrans-78.8171.8-17880.20000113.6Q189 V190Q189-S206 PolarHBondContact NE2-O 2.91Å; V190-S206 PolarHBondContact N-OG 3.05Å; V190-S206 PolarHBondContact O-N 2.85Å
207D98.1Very high93.7Very high97 Ų9755 Ų5552%0.51930%0.3SS..PPolyproline II helixtrans-62.6163162.9-69.5-22.3000112.1Q57 M209Q57-D207 VanDerWaalsContact CD-CG 3.44Å; Q57-D207 VanDerWaalsContact CD-OD2 3.29Å; Q57-D207 HydrophobicContact CG-CB 4.4Å; Q57-D207 VanDerWaalsContact CG-OD2 3.31Å; Q57-D207 WeakPolarHBondContact CG-OD2 3.3Å; Q57-D207 PolarHBondContact NE2-OD1 3.02Å; Q57-D207 PolarHBondContact NE2-OD2 2.82Å; Q57-D207 VanDerWaalsContact NE2-OD2 3.09Å; D207-M209 PolarHBondContact O-N 3.05Å
208N97.4Very high92.9Very high67 Ų6755.5 Ų55.536%0.35832%0.319SS..PPolyproline II helixtrans-68.4127.3-176.8-74.7-21.3000113.5S60 S133 R187 Q189S60-N208 WeakPolarHBondContact CA-O 3.42Å; S133-N208 WeakPolarHBondContact CB-OD1 3.44Å; R187-N208 HydrophobicContact CB-CB 4.15Å; Q189-N208 WeakPolarHBondContact CG-OD1 3.29Å
209M96.8Very high91.8Very high1 Ų164.9 Ų64.91%0.00535%0.353CS..BIsolated β-bridgetrans-103.5135.9171.1-56.9-177.569.700111.6P58 P59 L62 F68 R187 F188 V190 D207P58-M209 HydrophobicContact CB-CE 3.95Å; P58-M209 HydrophobicContact CB-CG 4.11Å; P58-M209 HydrophobicContact CB-SD 3.56Å; P58-M209 VanDerWaalsContact CB-SD 3.56Å; P58-M209 HydrophobicContact CG-CG 3.87Å; P58-M209 HydrophobicContact CG-SD 3.71Å; P59-M209 HydrophobicContact CG-CE 4.19Å; L62-M209 HydrophobicContact CB-CE 4.17Å; L62-M209 HydrophobicContact CD2-CE 3.78Å; F68-M209 HydrophobicContact CB-CE 4.47Å; F68-M209 HydrophobicContact CD1-CE 4.45Å; F68-M209 HydrophobicContact CD2-CE 3.7Å; F68-M209 HydrophobicContact CD2-SD 4.34Å; F68-M209 HydrophobicContact CE2-CE 3.94Å; F68-M209 HydrophobicContact CE2-SD 4.08Å; F68-M209 HydrophobicContact CG-CE 3.97Å; F68-M209 HydrophobicContact CZ-CE 4.41Å; R187-M209 WeakPolarHBondContact CA-O 3.42Å; F188-M209 PolarHBondContact N-O 3.38Å; F188-M209 PolarHBondContact O-N 3.15Å; V190-M209 HydrophobicContact CG2-SD 3.81Å; D207-M209 PolarHBondContact O-N 3.05Å
210F95.6Very high90.4Very high28 Ų2870.7 Ų70.712%0.12337%0.369CS..EExtended strand (participates in β ladder)trans-106.3107.9167.3179.3-115.9000110.7S60 N61 L62 C175 L176 H212 H217S60-F210 PolarHBondContact O-N 2.91Å; N61-F210 CarbonylContact C-O 3.58Å; N61-F210 WeakPolarHBondContact CA-O 3.35Å; L62-F210 PolarHBondContact N-O 3.15Å; C175-F210 HydrophobicContact CB-CD2 3.96Å; C175-F210 HydrophobicContact CB-CE2 4.07Å; L176-F210 HydrophobicContact CD1-CE2 4.04Å; L176-F210 HydrophobicContact CD1-CZ 3.81Å; L176-F210 HydrophobicContact CD2-CE2 4.48Å; L176-F210 HydrophobicContact CG-CE2 3.95Å; L176-F210 HydrophobicContact CG-CZ 4.2Å; F210-H212 HydrophobicContact CD1-CB 4.38Å; F210-H212 AromaticContact CD1-CD2 3.76Å; F210-H212 HydrophobicContact CE1-CB 3.87Å; F210-H212 AromaticContact CE1-CD2 3.97Å; F210-H212 HydrophobicContact CZ-CB 4.31Å; F210-H212 PolarHBondContact O-CD2 3.36Å; F210-H217 AromaticContact CE1-CE1 4Å
211V95.9Very high88.9Confident1 Ų173.7 Ų73.71%0.00639%0.389CS..EExtended strand (participates in β ladder)trans-94.8119.3-179.2-169.10000110.6L62 K64 C171 Q173 C175 F188L62-V211 HydrophobicContact CB-CG2 4.4Å; L62-V211 HydrophobicContact CD2-CG2 4.4Å; L62-V211 WeakPolarHBondContact O-CA 3.32Å; K64-V211 HydrophobicContact CB-CG1 4.24Å; C171-V211 HydrophobicContact CB-CG1 4.21Å; C171-V211 HydrophobicContact CB-CG2 4.31Å; Q173-V211 VanDerWaalsContact O-CG1 3.24Å; Q173-V211 WeakPolarHBondContact O-CG1 3.37Å; C175-V211 PolarHBondContact N-O 3.16Å; C175-V211 PolarHBondContact SG-N 3.25Å; F188-V211 HydrophobicContact CD2-CB 4.32Å; F188-V211 HydrophobicContact CD2-CG2 3.74Å; F188-V211 HydrophobicContact CE2-CB 4.28Å; F188-V211 HydrophobicContact CE2-CG2 4.17Å
212H93.4Very high87Confident21 Ų2177.2 Ų77.210%0.09740%0.397CS..EExtended strand (participates in β ladder)trans-133.2159.8-17558.786.5000112L62 R63 K64 F210 N214 H217L62-H212 PolarHBondContact O-CD2 3.21Å; L62-H212 VanDerWaalsContact O-CD2 3.28Å; L62-H212 PolarHBondContact O-N 3Å; L62-H212 PolarHBondContact O-NE2 3.35Å; R63-H212 CarbonylContact C-O 3.46Å; R63-H212 WeakPolarHBondContact CA-O 3.26Å; K64-H212 PolarHBondContact N-O 3.41Å; F210-H212 HydrophobicContact CD1-CB 4.38Å; F210-H212 AromaticContact CD1-CD2 3.76Å; F210-H212 HydrophobicContact CE1-CB 3.87Å; F210-H212 AromaticContact CE1-CD2 3.97Å; F210-H212 HydrophobicContact CZ-CB 4.31Å; F210-H212 PolarHBondContact O-CD2 3.36Å; H212-N214 PolarHBondContact CE1-O 3.02Å; H212-N214 VanDerWaalsContact CE1-O 3.25Å; H212-N214 PolarHBondContact ND1-N 3.06Å; H212-N214 PolarHBondContact ND1-O 3.34Å; H212-H217 AromaticContact CD2-CD2 3.75Å; H212-H217 WeakPolarHBondContact CE1-CB 3.22Å; H212-H217 AromaticContact CE1-CD2 3.71Å; H212-H217 AromaticContact CE1-CG 3.71Å; H212-H217 AromaticContact NE2-CD2 3.19Å; H212-H217 PolarHBondContact NE2-CD2 3.37Å; H212-H217 AromaticContact NE2-CG 3.63Å; H212-H217 AromaticContact NE2-NE2 3.98Å
213N93.1Very high84.8Confident97 Ų9787.2 Ų87.252%0.51943%0.431SS..  trans-10418.1168.5-159.417.8000113.8
214N91.6Very high82.7Confident77 Ų7794.1 Ų94.141%0.41247%0.467SS..  trans-85.4124.6178.1-173.84.9000112H212 K216 H217H212-N214 PolarHBondContact CE1-O 3.02Å; H212-N214 VanDerWaalsContact CE1-O 3.25Å; H212-N214 PolarHBondContact ND1-N 3.06Å; H212-N214 PolarHBondContact ND1-O 3.34Å; N214-K216 WeakPolarHBondContact OD1-CA 3.2Å; N214-K216 WeakPolarHBondContact OD1-CB 3.45Å; N214-K216 PolarHBondContact OD1-N 3.06Å; N214-H217 HydrophobicContact CB-CB 4.39Å
215S89Confident80.2Confident71 Ų7198.3 Ų98.350%0.49749%0.487SS..SBendtrans-81.6-17.8173.158.30000114.1
216K86Confident78Confident160 Ų160101 Ų10170%0.69651%0.506SS*.SBendtrans-89.7-1.2178.7-56.7-179.1-179.5179.90113N214 R219N214-K216 WeakPolarHBondContact OD1-CA 3.2Å; N214-K216 WeakPolarHBondContact OD1-CB 3.45Å; N214-K216 PolarHBondContact OD1-N 3.06Å; K216-R219 PolarHBondContact O-N 3.12Å
217H83.7Confident75.8Confident74 Ų74106.1 Ų106.134%0.34354%0.542SS..THydrogen-bonded Turntrans-57.7141.8-178.6-167.160.3000111.6N61 F210 H212 N214 R219N61-H217 PolarHBondContact OD1-NE2 2.93Å; F210-H217 AromaticContact CE1-CE1 4Å; H212-H217 AromaticContact CD2-CD2 3.75Å; H212-H217 WeakPolarHBondContact CE1-CB 3.22Å; H212-H217 AromaticContact CE1-CD2 3.71Å; H212-H217 AromaticContact CE1-CG 3.71Å; H212-H217 AromaticContact NE2-CD2 3.19Å; H212-H217 PolarHBondContact NE2-CD2 3.37Å; H212-H217 AromaticContact NE2-CG 3.63Å; H212-H217 AromaticContact NE2-NE2 3.98Å; N214-H217 HydrophobicContact CB-CB 4.39Å; H217-R219 PolarHBondContact O-N 3Å
218G74.9Confident74.3Confident70 Ų70109.3 Ų109.372%0.72255%0.553SS**THydrogen-bonded Turntrans71.7-14.5-179.600000116.4R220G218-R220 PolarHBondContact O-N 3.15Å
219R72.3Confident73.6Confident212 Ų212107.7 Ų107.780%0.855%0.549SS*.  trans-74.485.3177.6-65.9-169.6179.1-157.3-2.3111.3K216 H217K216-R219 PolarHBondContact O-N 3.12Å; H217-R219 PolarHBondContact O-N 3Å
220R60Low73.3Confident207 Ų207112 Ų11278%0.78158%0.576SS**  trans-61.9134.1160.9-80-177.4166-178.4-3.6108.7G218 R222G218-R220 PolarHBondContact O-N 3.15Å; R220-R222 PolarHBondContact O-N 2.87Å
221A57Low73.3Confident112 Ų112110.9 Ų110.993%0.92657%0.571SS**SBendtrans-73.427.8179.600000114.1
222R54.2Low73.3Confident208 Ų208112.8 Ų112.879%0.78558%0.584SS**  trans-107.1117-175-65.5-168.5-176.5-175.90.7110.2R220 L224R220-R222 PolarHBondContact O-N 2.87Å; R222-L224 PolarHBondContact O-N 3.39Å; R222-L224 VanDerWaalsContact O-N 3.17Å
223R49Very low73.5Confident246 Ų246112.8 Ų112.893%0.92859%0.585SS**  trans-51.9112.6161.4-162.6178.1-166.3173.72.1106.6D225R223-D225 PolarHBondContact O-N 3.04Å
224L54.6Low73.7Confident154 Ų154114.2 Ų114.281%0.80659%0.587SS**  trans-64.2121.7174.1-88.5149.8000107.6R222R222-L224 PolarHBondContact O-N 3.39Å; R222-L224 VanDerWaalsContact O-N 3.17Å
225D45.2Very low73.9Confident104 Ų104112.8 Ų112.856%0.55659%0.585SS**  trans-70.3120.9168.5-165.2-36.9000107.3R223 S227 E228R223-D225 PolarHBondContact O-N 3.04Å; D225-S227 PolarHBondContact O-N 2.83Å; D225-S227 WeakPolarHBondContact OD1-CB 3.29Å; D225-S227 PolarHBondContact OD1-N 2.97Å; D225-S227 VanDerWaalsContact OD1-N 3.17Å; D225-E228 PolarHBondContact O-N 2.98Å
226P52.1Low74.4Confident114 Ų114110.2 Ų110.274%0.7457%0.566SS**G310 helixtrans-59.6-18.6-177.723.5-33.6000112.9E228 A229P226-E228 PolarHBondContact O-N 2.94Å; P226-A229 WeakPolarHBondContact O-CB 3.25Å; P226-A229 PolarHBondContact O-N 2.67Å
227S52.6Low75Confident108 Ų108105.7 Ų105.776%0.75555%0.554SS**G310 helixtrans-64.2-18.2176.3-173.20000115D225D225-S227 PolarHBondContact O-N 2.83Å; D225-S227 WeakPolarHBondContact OD1-CB 3.29Å; D225-S227 PolarHBondContact OD1-N 2.97Å; D225-S227 VanDerWaalsContact OD1-N 3.17Å
228E66.3Low75.6Confident163 Ų163105.4 Ų105.476%0.76256%0.559SS**G310 helixtrans-94.3-0.7177.8-68.1-162.9147.600113.7D225 P226 T230D225-E228 PolarHBondContact O-N 2.98Å; P226-E228 PolarHBondContact O-N 2.94Å; E228-T230 PolarHBondContact O-N 3.11Å
229A82.3Confident76.7Confident34 Ų34105.3 Ų105.328%0.28155%0.547SS..  trans-74.9114.8-174.600000111.6P226 N255P226-A229 WeakPolarHBondContact O-CB 3.25Å; P226-A229 PolarHBondContact O-N 2.67Å; A229-N255 HydrophobicContact CB-CB 3.86Å; A229-N255 WeakPolarHBondContact O-CB 3.19Å
230T91.1Very high77.8Confident90 Ų90100.7 Ų100.755%0.55254%0.535SS*.  trans-60129.8179.5-510000111.3E228 N255 F303E228-T230 PolarHBondContact O-N 3.11Å; T230-N255 PolarHBondContact O-ND2 2.93Å; T230-F303 HydrophobicContact CG2-CD1 3.71Å; T230-F303 HydrophobicContact CG2-CE1 4.25Å
231P94.5Very high79.5Confident5 Ų591.5 Ų91.53%0.03250%0.504CS..  trans-66.8140.6175.827.5-34.5000111.2D254 F256 F257 L260 L296 F303P231-D254 WeakPolarHBondContact CA-O 3.29Å; P231-F256 HydrophobicContact CB-CD1 4.04Å; P231-F256 HydrophobicContact CB-CE1 4.4Å; P231-F257 HydrophobicContact CG-CE1 4.22Å; P231-L260 HydrophobicContact CB-CD2 3.68Å; P231-L260 HydrophobicContact CG-CD1 4.18Å; P231-L260 HydrophobicContact CG-CD2 4.06Å; P231-L296 HydrophobicContact CB-CD1 3.92Å; P231-L296 HydrophobicContact CG-CD1 4.45Å; P231-F303 HydrophobicContact CG-CB 4.19Å; P231-F303 HydrophobicContact CG-CD1 4.08Å; P231-F303 HydrophobicContact CG-CD2 3.61Å; P231-F303 HydrophobicContact CG-CE1 4.34Å; P231-F303 HydrophobicContact CG-CE2 3.91Å; P231-F303 HydrophobicContact CG-CG 3.69Å; P231-F303 HydrophobicContact CG-CZ 4.26Å
232C95.3Very high81.2Confident42 Ų4292 Ų9228%0.28448%0.483SS..EExtended strand (participates in β ladder)trans-135.5142.1178.273.10000112.4G253 D254 F256C232-G253 WeakPolarHBondContact O-CA 3.35Å; C232-D254 PolarHBondContact N-O 2.93Å; C232-D254 PolarHBondContact O-N 2.8Å; C232-D254 VanDerWaalsContact O-N 3.11Å; C232-F256 VanDerWaalsContact O-CE1 3.27Å; C232-F256 WeakPolarHBondContact O-CE1 3.5Å; C232-F256 WeakPolarHBondContact O-CZ 3.24Å
233I97.7Very high83.1Confident21 Ų2183.1 Ų83.111%0.10845%0.451CS..EExtended strand (participates in β ladder)trans-89.6134.5170.9-58.5174.7000108.5I236 I251 V294 L296 C304I233-I236 HydrophobicContact CG2-CD1 4.38Å; I233-I236 HydrophobicContact CG2-CG1 4.02Å; I233-I251 HydrophobicContact CB-CG2 4.48Å; I233-I251 HydrophobicContact CD1-CG2 4.26Å; I233-I251 HydrophobicContact CG1-CG2 3.9Å; I233-I251 HydrophobicContact CG2-CG2 4.02Å; I233-V294 HydrophobicContact CD1-CG1 4.27Å; I233-V294 WeakPolarHBondContact CD1-O 3.38Å; I233-L296 HydrophobicContact CD1-CD1 4.39Å; I233-L296 HydrophobicContact CD1-CD2 4.07Å; I233-L296 HydrophobicContact CD1-CG 3.97Å; I233-L296 HydrophobicContact CG1-CD1 3.84Å; I233-L296 HydrophobicContact CG1-CD2 4.23Å; I233-L296 HydrophobicContact CG1-CG 3.99Å; I233-C304 HydrophobicContact CD1-CB 4.44Å; I233-C304 PolarHBondContact N-SG 2.92Å; I233-C304 VanDerWaalsContact N-SG 3.42Å
234K97.3Very high85.2Confident127 Ų12775.6 Ų75.655%0.55243%0.433SS*.EExtended strand (participates in β ladder)trans-111.2-38.1172.5-70.3175.3177.6167.70112.5I252 D254K234-I252 PolarHBondContact N-O 2.91Å; K234-D254 WeakPolarHBondContact CE-OD2 3.48Å; K234-D254 IonicContact NZ-OD1 3.46Å; K234-D254 PolarHBondContact NZ-OD1 2.92Å; K234-D254 IonicContact NZ-OD2 3.74Å; K234-D254 PolarHBondContact NZ-OD2 3.21Å
235A97.7Very high87.1Confident46 Ų4669 Ų6938%0.3840%0.402SS..EExtended strand (participates in β ladder)trans-153.5162178.500000111.3I252A235-I252 HydrophobicContact CB-CB 4.33Å; A235-I252 PolarHBondContact N-O 2.85Å; A235-I252 PolarHBondContact O-N 2.84Å
236I98.2Very high89.4Confident17 Ų1766.8 Ų66.89%0.08740%0.404CS..EExtended strand (participates in β ladder)trans-132.3129.5173.4-60.4-169.7000107I233 V249 I251 V294 F311I233-I236 HydrophobicContact CG2-CD1 4.38Å; I233-I236 HydrophobicContact CG2-CG1 4.02Å; I236-V249 HydrophobicContact CG2-CG1 3.31Å; I236-I251 HydrophobicContact CD1-CD1 4.45Å; I236-I251 HydrophobicContact CD1-CG1 4.3Å; I236-I251 HydrophobicContact CG1-CG1 4.21Å; I236-I251 HydrophobicContact CG1-CG2 4.48Å; I236-I251 HydrophobicContact CG2-CG1 4.49Å; I236-V294 HydrophobicContact CD1-CB 3.48Å; I236-V294 VanDerWaalsContact CD1-CB 3.48Å; I236-V294 HydrophobicContact CD1-CG1 3.69Å; I236-V294 HydrophobicContact CD1-CG2 3.67Å; I236-F311 HydrophobicContact CG2-CD2 4.21Å
237S97.9Very high91.5Very high66 Ų6663.1 Ų63.146%0.46238%0.383SS..EExtended strand (participates in β ladder)trans-141.1122.8-174.5-168.90000111.4I250S237-I250 PolarHBondContact N-O 3.17Å; S237-I250 PolarHBondContact O-N 3.3Å
238P97.7Very high93.6Very high68 Ų6861.4 Ų61.444%0.44237%0.368SS..SBendcis-57.2154.1-10.3-25.135.7000113.5F311P238-F311 WeakPolarHBondContact O-CE2 3.35Å
239S97.4Very high95.1Very high67 Ų6753.7 Ų53.747%0.46933%0.332SS..  trans-89.3-3.3177.352.30000113.9F311 I312S239-F311 CarbonylContact O-C 3.59Å; S239-F311 WeakPolarHBondContact O-CA 3.48Å; S239-I312 PolarHBondContact O-N 3.06Å
240E96Very high95.9Very high116 Ų11654.4 Ų54.454%0.54233%0.331SS..EExtended strand (participates in β ladder)trans-146161.3-177.462.5-177.7-136.700111.7F311 I312E240-F311 WeakPolarHBondContact O-CZ 3.47Å; E240-I312 CarbonylContact C-O 3.6Å; E240-I312 WeakPolarHBondContact CA-O 3.37Å; E240-I312 HydrophobicContact CB-CB 4.02Å
241G95.1Very high96.2Very high14 Ų1450.1 Ų50.114%0.14431%0.305CS..EExtended strand (participates in β ladder)trans-178.7178.8176.700000113.2F311 I312 Y313 T314G241-F311 VanDerWaalsContact N-CZ 3.32Å; G241-I312 PolarHBondContact N-O 2.77Å; G241-Y313 WeakPolarHBondContact O-CA 3.46Å; G241-T314 PolarHBondContact O-N 2.81Å
242W94Very high96.4Very high123 Ų12353.5 Ų53.547%0.46632%0.322SS..EExtended strand (participates in β ladder)trans-78.5147.5-172.8-54.1120.9000113.5T244 G245 Y313 T314 L316W242-T244 WeakPolarHBondContact CB-OG1 3.41Å; W242-T244 PolarHBondContact O-N 3.42Å; W242-G245 PolarHBondContact O-N 2.87Å; W242-Y313 WeakPolarHBondContact O-CD1 3.49Å; W242-T314 WeakPolarHBondContact CA-O 3.43Å; W242-T314 HydrophobicContact CE3-CG2 4.42Å; W242-T314 HydrophobicContact CZ3-CG2 3.95Å; W242-L316 HydrophobicContact CB-CD1 4.21Å; W242-L316 HydrophobicContact CB-CG 4.46Å; W242-L316 HydrophobicContact CD2-CD1 4.02Å; W242-L316 HydrophobicContact CD2-CD2 3.73Å; W242-L316 HydrophobicContact CD2-CG 3.62Å; W242-L316 HydrophobicContact CE3-CD1 4.39Å; W242-L316 HydrophobicContact CE3-CD2 3.67Å; W242-L316 HydrophobicContact CE3-CG 3.52Å; W242-L316 HydrophobicContact CG-CD1 3.93Å; W242-L316 HydrophobicContact CG-CD2 4.48Å; W242-L316 HydrophobicContact CG-CG 4.04Å; W242-L316 HydrophobicContact CH2-CD2 3.69Å; W242-L316 HydrophobicContact CH2-CG 4.47Å; W242-L316 HydrophobicContact CZ2-CD2 3.76Å; W242-L316 HydrophobicContact CZ3-CD2 3.64Å; W242-L316 HydrophobicContact CZ3-CG 3.96Å
243T93.8Very high96.5Very high21 Ų2151.6 Ų51.613%0.12931%0.309CS..THydrogen-bonded Turntrans-53.4-20.8170.944.70000114.6G245 R286 P289 T314 A315T243-G245 PolarHBondContact O-N 3.27Å; T243-R286 WeakPolarHBondContact CA-O 3.25Å; T243-R286 WeakPolarHBondContact CB-O 3.35Å; T243-R286 VanDerWaalsContact CG2-O 3.22Å; T243-R286 WeakPolarHBondContact CG2-O 3.34Å; T243-R286 PolarHBondContact O-N 3.36Å; T243-R286 VanDerWaalsContact O-O 3.12Å; T243-P289 HydrophobicContact CG2-CB 4.39Å; T243-T314 PolarHBondContact N-O 2.85Å; T243-A315 HydrophobicContact CG2-CB 3.81Å; T243-A315 WeakPolarHBondContact OG1-CA 3.27Å
244T93.1Very high96.4Very high87 Ų8752.3 Ų52.353%0.53431%0.313SS..THydrogen-bonded Turntrans-65.8-22.8174.455.30000113.8W242 P285 L316W242-T244 WeakPolarHBondContact CB-OG1 3.41Å; W242-T244 PolarHBondContact O-N 3.42Å; T244-P285 WeakPolarHBondContact O-CB 3.11Å; T244-P285 WeakPolarHBondContact O-CG 3.35Å; T244-L316 HydrophobicContact CG2-CD1 4.46Å
245G93.3Very high96.3Very high16 Ų1649.3 Ų49.317%0.16530%0.303CS..  trans70.7-165.8-170.300000113.1W242 T243 A247 T283W242-G245 PolarHBondContact O-N 2.87Å; T243-G245 PolarHBondContact O-N 3.27Å; G245-A247 VanDerWaalsContact C-N 3.34Å; G245-T283 CarbonylContact C-O 3.5Å; G245-T283 WeakPolarHBondContact CA-O 3.47Å; G245-T283 WeakPolarHBondContact CA-OG1 3.42Å
246G94.6Very high96.2Very high58 Ų5847.4 Ų47.460%0.59829%0.286SS*.  trans80.45.3178.200000115.4Q282 T283G246-Q282 PolarHBondContact O-OE1 2.92Å; G246-T283 PolarHBondContact N-O 3.08Å; G246-T283 PolarHBondContact N-OG1 3.43Å
247A95.1Very high96Very high36 Ų3649.8 Ų49.830%0.29830%0.296SS..  trans-83134.2176.500000110.6G245 V249 Q282 T283G245-A247 VanDerWaalsContact C-N 3.34Å; A247-V249 PolarHBondContact O-N 3.31Å; A247-Q282 VanDerWaalsContact C-OE1 3.25Å; A247-Q282 PolarHBondContact O-OE1 2.94Å; A247-T283 HydrophobicContact CB-CG2 4.25Å; A247-T283 WeakPolarHBondContact CB-OG1 3.16Å; A247-T283 PolarHBondContact N-OG1 2.89Å; A247-T283 PolarHBondContact O-N 2.99Å; A247-T283 PolarHBondContact O-OG1 3.09Å
248T97.2Very high95.7Very high73 Ų7353 Ų5345%0.44831%0.308SS..EExtended strand (participates in β ladder)trans-77.1123.3174.7-57.10000110R280 Q282T248-R280 HydrophobicContact CG2-CG 3.91Å; T248-Q282 VanDerWaalsContact CA-OE1 3.31Å; T248-Q282 PolarHBondContact OG1-NE2 2.87Å; T248-Q282 PolarHBondContact OG1-OE1 3.26Å
249V98Very high95.4Very high1 Ų152 Ų521%0.00631%0.31CS..EExtended strand (participates in β ladder)trans-125.6140.3-178.3169.70000109.4I236 A247 V281 T283 F311I236-V249 HydrophobicContact CG2-CG1 3.31Å; A247-V249 PolarHBondContact O-N 3.31Å; V249-V281 HydrophobicContact CB-CG2 3.86Å; V249-V281 HydrophobicContact CG1-CG2 4.18Å; V249-V281 PolarHBondContact N-O 2.94Å; V249-V281 WeakPolarHBondContact O-CG2 3.4Å; V249-V281 PolarHBondContact O-N 2.88Å; V249-T283 HydrophobicContact CB-CG2 4.36Å; V249-T283 HydrophobicContact CG2-CG2 3.49Å; V249-T283 VanDerWaalsContact CG2-CG2 3.49Å; V249-F311 HydrophobicContact CG2-CD2 4.43Å; V249-F311 HydrophobicContact CG2-CE2 3.65Å; V249-F311 HydrophobicContact CG2-CZ 4.23Å
250I98.2Very high95.3Very high49 Ų4949.1 Ų49.125%0.25129%0.289SS..EExtended strand (participates in β ladder)trans-106.2124.2174.4-51.3-55.8000109.1S237 I252 I274 A278 I279 R280S237-I250 PolarHBondContact N-O 3.17Å; S237-I250 PolarHBondContact O-N 3.3Å; I250-I252 HydrophobicContact CG2-CG1 4.18Å; I250-I274 HydrophobicContact CD1-CD1 3.93Å; I250-A278 HydrophobicContact CG2-CB 4.23Å; I250-I279 CarbonylContact C-O 3.44Å; I250-I279 WeakPolarHBondContact CA-O 3.5Å; I250-R280 HydrophobicContact CD1-CB 3.79Å; I250-R280 HydrophobicContact CD1-CG 4.12Å
251I98.3Very high95.2Very high0 Ų047.5 Ų47.50%028%0.281CS..EExtended strand (participates in β ladder)trans-94.3123171.5-60.7-177.3000107.4I233 I236 F256 V262 A278 I279 V281 V294I233-I251 HydrophobicContact CB-CG2 4.48Å; I233-I251 HydrophobicContact CD1-CG2 4.26Å; I233-I251 HydrophobicContact CG1-CG2 3.9Å; I233-I251 HydrophobicContact CG2-CG2 4.02Å; I236-I251 HydrophobicContact CD1-CD1 4.45Å; I236-I251 HydrophobicContact CD1-CG1 4.3Å; I236-I251 HydrophobicContact CG1-CG1 4.21Å; I236-I251 HydrophobicContact CG1-CG2 4.48Å; I236-I251 HydrophobicContact CG2-CG1 4.49Å; I251-F256 HydrophobicContact CG2-CE2 4.29Å; I251-F256 HydrophobicContact CG2-CZ 3.98Å; I251-F256 WeakPolarHBondContact O-CE2 3.3Å; I251-V262 HydrophobicContact CD1-CB 4.32Å; I251-V262 HydrophobicContact CD1-CG1 3.43Å; I251-V262 VanDerWaalsContact CD1-CG1 3.43Å; I251-V262 HydrophobicContact CD1-CG2 3.9Å; I251-A278 WeakPolarHBondContact O-CA 3.49Å; I251-I279 PolarHBondContact N-O 2.79Å; I251-I279 PolarHBondContact O-N 2.96Å; I251-V281 HydrophobicContact CD1-CG1 4.32Å; I251-V281 HydrophobicContact CD1-CG2 4.4Å; I251-V281 HydrophobicContact CG1-CG2 4.5Å; I251-V294 HydrophobicContact CD1-CG1 3.79Å
252I98.3Very high95.3Very high76 Ų7646.8 Ų46.839%0.3928%0.275SS..EExtended strand (participates in β ladder)trans-107.6134.7-177.6-57.5171.8000108.6K234 A235 I250 H277K234-I252 PolarHBondContact N-O 2.91Å; A235-I252 HydrophobicContact CB-CB 4.33Å; A235-I252 PolarHBondContact N-O 2.85Å; A235-I252 PolarHBondContact O-N 2.84Å; I250-I252 HydrophobicContact CG2-CG1 4.18Å; I252-H277 WeakPolarHBondContact CA-O 3.45Å
253G97.3Very high95.4Very high1 Ų141.7 Ų41.71%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-174.2-153.6-172.500000114.3C232 H277C232-G253 WeakPolarHBondContact O-CA 3.35Å; G253-H277 PolarHBondContact N-O 2.8Å; G253-H277 VanDerWaalsContact O-CA 3.25Å; G253-H277 WeakPolarHBondContact O-CA 3.38Å; G253-H277 VanDerWaalsContact O-CB 3.29Å; G253-H277 WeakPolarHBondContact O-CB 3.47Å; G253-H277 PolarHBondContact O-ND1 2.82Å
254D95.9Very high95.6Very high37 Ų3741 Ų4120%0.19825%0.252CS..EExtended strand (participates in β ladder)trans-133.1158.8171.7-58.1-32.4000111.4P231 C232 K234 F256 P276 H277P231-D254 WeakPolarHBondContact CA-O 3.29Å; C232-D254 PolarHBondContact N-O 2.93Å; C232-D254 PolarHBondContact O-N 2.8Å; C232-D254 VanDerWaalsContact O-N 3.11Å; K234-D254 WeakPolarHBondContact CE-OD2 3.48Å; K234-D254 IonicContact NZ-OD1 3.46Å; K234-D254 PolarHBondContact NZ-OD1 2.92Å; K234-D254 IonicContact NZ-OD2 3.74Å; K234-D254 PolarHBondContact NZ-OD2 3.21Å; D254-F256 VanDerWaalsContact C-N 3.27Å; D254-F256 WeakPolarHBondContact O-CD1 3.46Å; D254-F256 PolarHBondContact O-N 2.86Å; D254-P276 CarbonylContact C-O 3.55Å; D254-H277 IonicContact OD1-CE1 3.86Å; D254-H277 PolarHBondContact OD1-CE1 2.88Å; D254-H277 IonicContact OD1-ND1 2.65Å; D254-H277 PolarHBondContact OD1-ND1 2.87Å
255N94.6Very high95.7Very high64 Ų6438.8 Ų38.834%0.34225%0.245SC..SBendtrans58.634.1172.1-38.2-49.4000113.8A229 T230 F257 P276A229-N255 HydrophobicContact CB-CB 3.86Å; A229-N255 WeakPolarHBondContact O-CB 3.19Å; T230-N255 PolarHBondContact O-ND2 2.93Å; N255-F257 WeakPolarHBondContact O-CD1 3.36Å; N255-P276 PolarHBondContact N-O 3.3Å
256F96.1Very high95.7Very high6 Ų645 Ų453%0.02628%0.28CS..  trans-74.2145.2170-58.7-22.2000110.7P231 C232 I251 D254 L260 L273 P276 I279 L296P231-F256 HydrophobicContact CB-CD1 4.04Å; P231-F256 HydrophobicContact CB-CE1 4.4Å; C232-F256 VanDerWaalsContact O-CE1 3.27Å; C232-F256 WeakPolarHBondContact O-CE1 3.5Å; C232-F256 WeakPolarHBondContact O-CZ 3.24Å; I251-F256 HydrophobicContact CG2-CE2 4.29Å; I251-F256 HydrophobicContact CG2-CZ 3.98Å; I251-F256 WeakPolarHBondContact O-CE2 3.3Å; D254-F256 VanDerWaalsContact C-N 3.27Å; D254-F256 WeakPolarHBondContact O-CD1 3.46Å; D254-F256 PolarHBondContact O-N 2.86Å; F256-L260 HydrophobicContact CB-CD2 4.34Å; F256-L260 HydrophobicContact CD1-CD2 3.85Å; F256-L260 HydrophobicContact CG-CD2 4.42Å; F256-L273 HydrophobicContact CB-CD1 3.58Å; F256-P276 PolarHBondContact N-O 3.33Å; F256-P276 WeakPolarHBondContact O-CA 3.33Å; F256-I279 HydrophobicContact CB-CD1 3.82Å; F256-I279 HydrophobicContact CB-CG1 4.03Å; F256-I279 HydrophobicContact CD1-CD1 4.05Å; F256-I279 HydrophobicContact CD2-CB 4.38Å; F256-I279 HydrophobicContact CD2-CD1 3.77Å; F256-I279 HydrophobicContact CD2-CG1 3.66Å; F256-I279 HydrophobicContact CE2-CD1 4.32Å; F256-I279 HydrophobicContact CE2-CG1 4.31Å; F256-I279 HydrophobicContact CG-CD1 3.61Å; F256-I279 HydrophobicContact CG-CG1 3.94Å; F256-L296 HydrophobicContact CD1-CD1 4.22Å; F256-L296 HydrophobicContact CE1-CD1 3.62Å; F256-L296 HydrophobicContact CZ-CD1 4.48Å
257F93.4Very high95.7Very high67 Ų6746.8 Ų46.829%0.29427%0.274SS..  trans-146.9164.6-17756.4-96.7000109.9P231 N255 L260 Y298P231-F257 HydrophobicContact CG-CE1 4.22Å; N255-F257 WeakPolarHBondContact O-CD1 3.36Å; F257-L260 HydrophobicContact CD1-CD2 4.48Å; F257-L260 HydrophobicContact CD2-CB 4.2Å; F257-L260 HydrophobicContact CE1-CD1 4.28Å; F257-L260 HydrophobicContact CE1-CD2 4.28Å; F257-L260 HydrophobicContact CE2-CB 4.05Å; F257-L260 HydrophobicContact CE2-CD1 4.34Å; F257-L260 HydrophobicContact CZ-CB 4.31Å; F257-L260 HydrophobicContact CZ-CD1 3.85Å; F257-L260 HydrophobicContact CZ-CG 4.48Å; F257-L260 WeakPolarHBondContact O-CB 3.09Å; F257-L260 PolarHBondContact O-N 2.88Å; F257-Y298 AromaticContact CE2-CD1 3.88Å; F257-Y298 HydrophobicContact CE2-CD1 3.88Å; F257-Y298 AromaticContact CE2-CD2 3.72Å; F257-Y298 HydrophobicContact CE2-CD2 3.72Å; F257-Y298 HydrophobicContact CE2-CE1 4.06Å; F257-Y298 AromaticContact CE2-CE2 3.9Å; F257-Y298 HydrophobicContact CE2-CE2 3.9Å; F257-Y298 AromaticContact CE2-CG 3.69Å; F257-Y298 HydrophobicContact CE2-CG 3.69Å; F257-Y298 HydrophobicContact CZ-CD1 4.01Å; F257-Y298 HydrophobicContact CZ-CD2 4.4Å; F257-Y298 AromaticContact CZ-CG 3.93Å; F257-Y298 HydrophobicContact CZ-CG 3.93Å
258D93.1Very high95.7Very high134 Ų13449.6 Ų49.672%0.71728%0.284SS*.THydrogen-bonded Turntrans-69.6142.1-173.5-169.222000112.3L260 L273D258-L260 VanDerWaalsContact C-N 3.28Å; D258-L260 PolarHBondContact O-N 2.84Å; D258-L273 HydrophobicContact CB-CD2 4.38Å
259G91.5Very high95.7Very high47 Ų4746.8 Ų46.849%0.48527%0.266SS..THydrogen-bonded Turntrans74.94.8-171.100000115.6Q261 Y298G259-Q261 PolarHBondContact O-N 2.99Å; G259-Y298 WeakPolarHBondContact O-CD2 3.38Å
260L93.7Very high95.2Very high5 Ų555.7 Ų55.73%0.02630%0.3CS..  trans-69.7111.5171.4-176.960.1000110.2P231 F256 F257 D258 S271 I279 L296 F303P231-L260 HydrophobicContact CB-CD2 3.68Å; P231-L260 HydrophobicContact CG-CD1 4.18Å; P231-L260 HydrophobicContact CG-CD2 4.06Å; F256-L260 HydrophobicContact CB-CD2 4.34Å; F256-L260 HydrophobicContact CD1-CD2 3.85Å; F256-L260 HydrophobicContact CG-CD2 4.42Å; F257-L260 HydrophobicContact CD1-CD2 4.48Å; F257-L260 HydrophobicContact CD2-CB 4.2Å; F257-L260 HydrophobicContact CE1-CD1 4.28Å; F257-L260 HydrophobicContact CE1-CD2 4.28Å; F257-L260 HydrophobicContact CE2-CB 4.05Å; F257-L260 HydrophobicContact CE2-CD1 4.34Å; F257-L260 HydrophobicContact CZ-CB 4.31Å; F257-L260 HydrophobicContact CZ-CD1 3.85Å; F257-L260 HydrophobicContact CZ-CG 4.48Å; F257-L260 WeakPolarHBondContact O-CB 3.09Å; F257-L260 PolarHBondContact O-N 2.88Å; D258-L260 VanDerWaalsContact C-N 3.28Å; D258-L260 PolarHBondContact O-N 2.84Å; L260-S271 PolarHBondContact O-OG 2.8Å; L260-I279 HydrophobicContact CD2-CD1 4.05Å; L260-I279 HydrophobicContact CG-CD1 4.41Å; L260-L296 HydrophobicContact CD1-CB 4.12Å; L260-L296 HydrophobicContact CD2-CD1 4.22Å; L260-L296 HydrophobicContact CG-CB 4.42Å; L260-F303 HydrophobicContact CD1-CD2 4.23Å; L260-F303 HydrophobicContact CD1-CE2 4.11Å
261Q94.4Very high95Very high82 Ų8254.6 Ų54.638%0.38330%0.297SS..EExtended strand (participates in β ladder)trans-78.4147.3-178.4-55.5172.6-37.300110.9G259 L268 L296 S297G259-Q261 PolarHBondContact O-N 2.99Å; Q261-L268 HydrophobicContact CB-CD2 3.8Å; Q261-L268 HydrophobicContact CG-CD2 4.35Å; Q261-L296 CarbonylContact O-C 3.54Å; Q261-L296 WeakPolarHBondContact O-CA 3.28Å; Q261-S297 WeakPolarHBondContact CA-O 3.33Å; Q261-S297 VanDerWaalsContact CB-O 3.29Å; Q261-S297 WeakPolarHBondContact CB-O 3.45Å; Q261-S297 PolarHBondContact N-O 2.98Å; Q261-S297 PolarHBondContact O-N 2.86Å; Q261-S297 PolarHBondContact OE1-OG 3.34Å
262V97.3Very high94.9Very high0 Ų057.7 Ų57.70%031%0.311CS..EExtended strand (participates in β ladder)trans-107.4142.5171177.70000109.4I251 F264 V269 S271 I279 V281 V294 L296I251-V262 HydrophobicContact CD1-CB 4.32Å; I251-V262 HydrophobicContact CD1-CG1 3.43Å; I251-V262 VanDerWaalsContact CD1-CG1 3.43Å; I251-V262 HydrophobicContact CD1-CG2 3.9Å; V262-F264 HydrophobicContact CG1-CD2 3.98Å; V262-F264 HydrophobicContact CG1-CE2 3.76Å; V262-V269 HydrophobicContact CB-CG2 3.6Å; V262-V269 HydrophobicContact CG1-CG2 3.68Å; V262-V269 PolarHBondContact O-N 3.43Å; V262-S271 PolarHBondContact N-OG 3.4Å; V262-I279 HydrophobicContact CG2-CG2 4.01Å; V262-V281 HydrophobicContact CB-CG1 3.92Å; V262-V281 HydrophobicContact CG1-CG1 4.08Å; V262-V281 HydrophobicContact CG2-CG1 3.78Å; V262-V294 HydrophobicContact CG1-CG1 3.76Å; V262-L296 HydrophobicContact CG2-CD2 3.81Å
263I97.3Very high94.8Very high15 Ų1556.9 Ų56.98%0.07731%0.308CS..EExtended strand (participates in β ladder)trans-124.1124.3177.4-60.1168.7000109G265 M267 L268 V294 T295 Q302I263-G265 VanDerWaalsContact CG2-O 3.28Å; I263-G265 WeakPolarHBondContact CG2-O 3.46Å; I263-M267 CarbonylContact C-O 3.54Å; I263-M267 WeakPolarHBondContact CA-O 3.33Å; I263-L268 HydrophobicContact CD1-CD2 4.14Å; I263-L268 HydrophobicContact CG1-CD2 3.53Å; I263-L268 HydrophobicContact CG1-CG 4.1Å; I263-V294 CarbonylContact O-C 3.58Å; I263-V294 VanDerWaalsContact O-CA 3.3Å; I263-V294 WeakPolarHBondContact O-CA 3.36Å; I263-T295 PolarHBondContact N-O 2.99Å; I263-T295 PolarHBondContact O-N 3.45Å; I263-Q302 HydrophobicContact CD1-CG 4.35Å
264F97.4Very high94.8Very high8 Ų861 Ų614%0.03533%0.328CS..EExtended strand (participates in β ladder)trans-96.8100.7168.2-81.8-116.2000108.6V262 T266 M267 V269 V281 T283 P284 V292 V294 F311 Y313V262-F264 HydrophobicContact CG1-CD2 3.98Å; V262-F264 HydrophobicContact CG1-CE2 3.76Å; F264-T266 PolarHBondContact O-N 2.98Å; F264-M267 PolarHBondContact N-O 3.02Å; F264-M267 PolarHBondContact O-N 2.8Å; F264-V269 HydrophobicContact CB-CG1 4.25Å; F264-V269 HydrophobicContact CD2-CB 4.41Å; F264-V269 HydrophobicContact CD2-CG1 3.64Å; F264-V269 HydrophobicContact CD2-CG2 3.82Å; F264-V269 HydrophobicContact CE2-CG1 4.35Å; F264-V269 HydrophobicContact CE2-CG2 3.93Å; F264-V269 HydrophobicContact CG-CG1 4.21Å; F264-V281 HydrophobicContact CE2-CG2 3.89Å; F264-V281 HydrophobicContact CZ-CG2 3.98Å; F264-T283 HydrophobicContact CE1-CG2 4.22Å; F264-T283 HydrophobicContact CZ-CG2 4.48Å; F264-P284 HydrophobicContact CB-CG 3.86Å; F264-P284 HydrophobicContact CG-CG 4.19Å; F264-V292 HydrophobicContact CB-CG1 4.07Å; F264-V292 HydrophobicContact CD1-CG1 4.44Å; F264-V294 HydrophobicContact CD1-CG2 3.86Å; F264-V294 HydrophobicContact CD2-CG1 4.17Å; F264-V294 HydrophobicContact CD2-CG2 4.32Å; F264-V294 HydrophobicContact CE1-CG2 3.84Å; F264-V294 HydrophobicContact CE2-CG1 3.97Å; F264-V294 HydrophobicContact CE2-CG2 4.29Å; F264-V294 HydrophobicContact CG-CG2 4.11Å; F264-V294 HydrophobicContact CZ-CG1 4.37Å; F264-V294 HydrophobicContact CZ-CG2 4.06Å; F264-F311 HydrophobicContact CD1-CB 4.34Å; F264-F311 HydrophobicContact CD1-CD1 4.41Å; F264-F311 HydrophobicContact CD1-CG 4.44Å; F264-F311 HydrophobicContact CE1-CB 3.87Å; F264-F311 AromaticContact CE1-CD1 3.99Å; F264-F311 HydrophobicContact CE1-CD1 3.99Å; F264-F311 HydrophobicContact CE1-CD2 4.22Å; F264-F311 AromaticContact CE1-CG 3.75Å; F264-F311 HydrophobicContact CE1-CG 3.75Å; F264-Y313 HydrophobicContact CD1-CE2 4.3Å
265G95.1Very high94.9Very high39 Ų3962.1 Ų62.140%0.40234%0.337SS..THydrogen-bonded Turntrans67.5-96-174.300000111.3I263 E293I263-G265 VanDerWaalsContact CG2-O 3.28Å; I263-G265 WeakPolarHBondContact CG2-O 3.46Å; G265-E293 WeakPolarHBondContact CA-O 3.39Å; G265-E293 PolarHBondContact N-O 3.2Å
266T93.3Very high94.9Very high147 Ų14762.5 Ų62.590%0.90234%0.342SS*.THydrogen-bonded Turntrans-113.9-9173.753.60000113.2F264F264-T266 PolarHBondContact O-N 2.98Å
267M95.4Very high95Very high95 Ų9566.9 Ų66.947%0.46836%0.363SS..EExtended strand (participates in β ladder)trans-92.8119.3-174.4-173.6160172.500111I263 F264 P284I263-M267 CarbonylContact C-O 3.54Å; I263-M267 WeakPolarHBondContact CA-O 3.33Å; F264-M267 PolarHBondContact N-O 3.02Å; F264-M267 PolarHBondContact O-N 2.8Å; M267-P284 HydrophobicContact CE-CB 3.51Å; M267-P284 HydrophobicContact CG-CB 4.07Å; M267-P284 HydrophobicContact CG-CG 4.36Å; M267-P284 HydrophobicContact SD-CB 3.4Å; M267-P284 WeakPolarHBondContact SD-CB 3.35Å; M267-P284 HydrophobicContact SD-CG 4.16Å
268L94.8Very high95.2Very high95 Ų9564.5 Ų64.550%0.49736%0.355SS..EExtended strand (participates in β ladder)trans-65.7135.3168.6-79.1159.7000109.8Q261 I263Q261-L268 HydrophobicContact CB-CD2 3.8Å; Q261-L268 HydrophobicContact CG-CD2 4.35Å; I263-L268 HydrophobicContact CD1-CD2 4.14Å; I263-L268 HydrophobicContact CG1-CD2 3.53Å; I263-L268 HydrophobicContact CG1-CG 4.1Å
269V95.7Very high95.4Very high14 Ų1458.2 Ų58.29%0.08532%0.322CS..EExtended strand (participates in β ladder)trans-120.1144.3177.6-49.60000109.7V262 F264 S271 V281 P284V262-V269 HydrophobicContact CB-CG2 3.6Å; V262-V269 HydrophobicContact CG1-CG2 3.68Å; V262-V269 PolarHBondContact O-N 3.43Å; F264-V269 HydrophobicContact CB-CG1 4.25Å; F264-V269 HydrophobicContact CD2-CB 4.41Å; F264-V269 HydrophobicContact CD2-CG1 3.64Å; F264-V269 HydrophobicContact CD2-CG2 3.82Å; F264-V269 HydrophobicContact CE2-CG1 4.35Å; F264-V269 HydrophobicContact CE2-CG2 3.93Å; F264-V269 HydrophobicContact CG-CG1 4.21Å; V269-S271 PolarHBondContact O-N 2.61Å; V269-S271 PolarHBondContact O-OG 2.88Å; V269-V281 HydrophobicContact CG2-CB 3.94Å; V269-V281 HydrophobicContact CG2-CG1 3.8Å; V269-P284 HydrophobicContact CG1-CB 4.25Å; V269-P284 HydrophobicContact CG1-CG 3.66Å
270W88.8Confident95.8Very high188 Ų18860.2 Ų60.271%0.71232%0.315SS*.  trans-64.4134172.4-172.682.9000109.5E272W270-E272 HydrophobicContact CH2-CB 3.71Å; W270-E272 HydrophobicContact CH2-CG 3.95Å; W270-E272 HydrophobicContact CZ2-CB 4.48Å; W270-E272 HydrophobicContact CZ3-CB 3.75Å; W270-E272 HydrophobicContact CZ3-CG 4.41Å
271S93.1Very high95.9Very high26 Ų2660 Ų6018%0.18231%0.314CS..EExtended strand (participates in β ladder)trans-131.4137.2-171.311.80000109.6L260 V262 V269 R280L260-S271 PolarHBondContact O-OG 2.8Å; V262-S271 PolarHBondContact N-OG 3.4Å; V269-S271 PolarHBondContact O-N 2.61Å; V269-S271 PolarHBondContact O-OG 2.88Å; S271-R280 WeakPolarHBondContact CA-O 3.39Å
272E96.3Very high96.1Very high65 Ų6560.2 Ų60.230%0.30432%0.315SS..EExtended strand (participates in β ladder)trans-121.9123-179.6-170.4-173.6165.700109W270 I274 I279 R280W270-E272 HydrophobicContact CH2-CB 3.71Å; W270-E272 HydrophobicContact CH2-CG 3.95Å; W270-E272 HydrophobicContact CZ2-CB 4.48Å; W270-E272 HydrophobicContact CZ3-CB 3.75Å; W270-E272 HydrophobicContact CZ3-CG 4.41Å; E272-I274 PolarHBondContact O-N 2.98Å; E272-I279 CarbonylContact O-C 3.51Å; E272-I279 WeakPolarHBondContact O-CA 3.45Å; E272-R280 HydrophobicContact CB-CB 4.35Å; E272-R280 PolarHBondContact N-O 3.29Å; E272-R280 PolarHBondContact O-N 3.41Å; E272-R280 IonicContact OE1-CZ 3.34Å; E272-R280 IonicContact OE1-NH2 2.98Å; E272-R280 PolarHBondContact OE1-NH2 3.46Å; E272-R280 IonicContact OE2-CZ 3.6Å; E272-R280 IonicContact OE2-NE 3.43Å; E272-R280 PolarHBondContact OE2-NE 2.98Å; E272-R280 IonicContact OE2-NH2 3.65Å; E272-R280 PolarHBondContact OE2-NH2 2.92Å
273L96.9Very high96.1Very high60 Ų6060.5 Ų60.531%0.31432%0.316SS..EExtended strand (participates in β ladder)trans-73.8118.6176.8-173.274.2000109.7F256 D258 T275 I279F256-L273 HydrophobicContact CB-CD1 3.58Å; D258-L273 HydrophobicContact CB-CD2 4.38Å; L273-T275 VanDerWaalsContact CD1-O 3.22Å; L273-T275 WeakPolarHBondContact CD1-O 3.23Å; L273-I279 HydrophobicContact CD1-CG1 3.98Å
274I97.3Very high96.1Very high87 Ų8760.2 Ų60.245%0.44632%0.316SS..EExtended strand (participates in β ladder)trans-89.3-48.9169-52.5179.8000109.4I250 E272 A278 R280I250-I274 HydrophobicContact CD1-CD1 3.93Å; E272-I274 PolarHBondContact O-N 2.98Å; I274-A278 HydrophobicContact CB-CB 4.24Å; I274-A278 WeakPolarHBondContact CB-O 3.17Å; I274-A278 PolarHBondContact N-O 3.06Å; I274-R280 HydrophobicContact CD1-CB 3.98Å; I274-R280 HydrophobicContact CG1-CB 4.17Å
275T96.9Very high96Very high61 Ų6164.1 Ų64.137%0.37434%0.342SS..EExtended strand (participates in β ladder)trans-149.2168.8177.370.20000109.8L273 H277 A278L273-T275 VanDerWaalsContact CD1-O 3.22Å; L273-T275 WeakPolarHBondContact CD1-O 3.23Å; T275-H277 PolarHBondContact O-N 2.75Å; T275-H277 PolarHBondContact OG1-N 2.74Å; T275-H277 VanDerWaalsContact OG1-N 3.15Å; T275-A278 PolarHBondContact N-O 3.06Å; T275-A278 PolarHBondContact O-N 2.9Å; T275-A278 PolarHBondContact OG1-N 2.86Å; T275-A278 VanDerWaalsContact OG1-N 3.12Å
276P95.7Very high95.9Very high71 Ų7165.9 Ų65.946%0.46134%0.336SS..THydrogen-bonded Turntrans-57.2-6.1169.9-26.336.4000115.9D254 N255 F256D254-P276 CarbonylContact C-O 3.55Å; N255-P276 PolarHBondContact N-O 3.3Å; F256-P276 PolarHBondContact N-O 3.33Å; F256-P276 WeakPolarHBondContact O-CA 3.33Å
277H97.5Very high95.8Very high98 Ų9867.1 Ų67.145%0.45433%0.331SS..THydrogen-bonded Turntrans-119.4-2.5177.1-58.9-76.7000114I252 G253 D254 T275I252-H277 WeakPolarHBondContact CA-O 3.45Å; G253-H277 PolarHBondContact N-O 2.8Å; G253-H277 VanDerWaalsContact O-CA 3.25Å; G253-H277 WeakPolarHBondContact O-CA 3.38Å; G253-H277 VanDerWaalsContact O-CB 3.29Å; G253-H277 WeakPolarHBondContact O-CB 3.47Å; G253-H277 PolarHBondContact O-ND1 2.82Å; D254-H277 IonicContact OD1-CE1 3.86Å; D254-H277 PolarHBondContact OD1-CE1 2.88Å; D254-H277 IonicContact OD1-ND1 2.65Å; D254-H277 PolarHBondContact OD1-ND1 2.87Å; T275-H277 PolarHBondContact O-N 2.75Å; T275-H277 PolarHBondContact OG1-N 2.74Å; T275-H277 VanDerWaalsContact OG1-N 3.15Å
278A98.1Very high95.6Very high17 Ų1767 Ų6714%0.1433%0.332CS..EExtended strand (participates in β ladder)trans-144.6124.6-176.900000113I250 I251 I274 T275I250-A278 HydrophobicContact CG2-CB 4.23Å; I251-A278 WeakPolarHBondContact O-CA 3.49Å; I274-A278 HydrophobicContact CB-CB 4.24Å; I274-A278 WeakPolarHBondContact CB-O 3.17Å; I274-A278 PolarHBondContact N-O 3.06Å; T275-A278 PolarHBondContact N-O 3.06Å; T275-A278 PolarHBondContact O-N 2.9Å; T275-A278 PolarHBondContact OG1-N 2.86Å; T275-A278 VanDerWaalsContact OG1-N 3.12Å
279I97.9Very high95.5Very high2 Ų264.8 Ų64.81%0.0132%0.323CS..EExtended strand (participates in β ladder)trans-115.8135.6170.3-71.7167.9000108.9I250 I251 F256 L260 V262 E272 L273 V281I250-I279 CarbonylContact C-O 3.44Å; I250-I279 WeakPolarHBondContact CA-O 3.5Å; I251-I279 PolarHBondContact N-O 2.79Å; I251-I279 PolarHBondContact O-N 2.96Å; F256-I279 HydrophobicContact CB-CD1 3.82Å; F256-I279 HydrophobicContact CB-CG1 4.03Å; F256-I279 HydrophobicContact CD1-CD1 4.05Å; F256-I279 HydrophobicContact CD2-CB 4.38Å; F256-I279 HydrophobicContact CD2-CD1 3.77Å; F256-I279 HydrophobicContact CD2-CG1 3.66Å; F256-I279 HydrophobicContact CE2-CD1 4.32Å; F256-I279 HydrophobicContact CE2-CG1 4.31Å; F256-I279 HydrophobicContact CG-CD1 3.61Å; F256-I279 HydrophobicContact CG-CG1 3.94Å; L260-I279 HydrophobicContact CD2-CD1 4.05Å; L260-I279 HydrophobicContact CG-CD1 4.41Å; V262-I279 HydrophobicContact CG2-CG2 4.01Å; E272-I279 CarbonylContact O-C 3.51Å; E272-I279 WeakPolarHBondContact O-CA 3.45Å; L273-I279 HydrophobicContact CD1-CG1 3.98Å; I279-V281 HydrophobicContact CG2-CG1 3.99Å
280R98.1Very high95.4Very high90 Ų9065.6 Ų65.634%0.3433%0.334SS..EExtended strand (participates in β ladder)trans-92.2138.5168.3171.3163.364.6-155.47.9110.3T248 I250 S271 E272 I274T248-R280 HydrophobicContact CG2-CG 3.91Å; I250-R280 HydrophobicContact CD1-CB 3.79Å; I250-R280 HydrophobicContact CD1-CG 4.12Å; S271-R280 WeakPolarHBondContact CA-O 3.39Å; E272-R280 HydrophobicContact CB-CB 4.35Å; E272-R280 PolarHBondContact N-O 3.29Å; E272-R280 PolarHBondContact O-N 3.41Å; E272-R280 IonicContact OE1-CZ 3.34Å; E272-R280 IonicContact OE1-NH2 2.98Å; E272-R280 PolarHBondContact OE1-NH2 3.46Å; E272-R280 IonicContact OE2-CZ 3.6Å; E272-R280 IonicContact OE2-NE 3.43Å; E272-R280 PolarHBondContact OE2-NE 2.98Å; E272-R280 IonicContact OE2-NH2 3.65Å; E272-R280 PolarHBondContact OE2-NH2 2.92Å; I274-R280 HydrophobicContact CD1-CB 3.98Å; I274-R280 HydrophobicContact CG1-CB 4.17Å
281V97.8Very high95.8Very high1 Ų160.6 Ų60.61%0.00633%0.325CS..EExtended strand (participates in β ladder)trans-136.5159.8173.3-61.50000110.5V249 I251 V262 F264 V269 I279V249-V281 HydrophobicContact CB-CG2 3.86Å; V249-V281 HydrophobicContact CG1-CG2 4.18Å; V249-V281 PolarHBondContact N-O 2.94Å; V249-V281 WeakPolarHBondContact O-CG2 3.4Å; V249-V281 PolarHBondContact O-N 2.88Å; I251-V281 HydrophobicContact CD1-CG1 4.32Å; I251-V281 HydrophobicContact CD1-CG2 4.4Å; I251-V281 HydrophobicContact CG1-CG2 4.5Å; V262-V281 HydrophobicContact CB-CG1 3.92Å; V262-V281 HydrophobicContact CG1-CG1 4.08Å; V262-V281 HydrophobicContact CG2-CG1 3.78Å; F264-V281 HydrophobicContact CE2-CG2 3.89Å; F264-V281 HydrophobicContact CZ-CG2 3.98Å; V269-V281 HydrophobicContact CG2-CB 3.94Å; V269-V281 HydrophobicContact CG2-CG1 3.8Å; I279-V281 HydrophobicContact CG2-CG1 3.99Å
282Q97.3Very high96Very high86 Ų8659.7 Ų59.740%0.40232%0.318SS..EExtended strand (participates in β ladder)trans-102134.9162.9-61.5-60.1-17.200109.1G246 A247 T248G246-Q282 PolarHBondContact O-OE1 2.92Å; A247-Q282 VanDerWaalsContact C-OE1 3.25Å; A247-Q282 PolarHBondContact O-OE1 2.94Å; T248-Q282 VanDerWaalsContact CA-OE1 3.31Å; T248-Q282 PolarHBondContact OG1-NE2 2.87Å; T248-Q282 PolarHBondContact OG1-OE1 3.26Å
283T96.9Very high96.1Very high5 Ų561.1 Ų61.13%0.03133%0.325CS..PPolyproline II helixtrans-68.1133.4178.956.50000110.7G245 G246 A247 V249 F264 F311G245-T283 CarbonylContact C-O 3.5Å; G245-T283 WeakPolarHBondContact CA-O 3.47Å; G245-T283 WeakPolarHBondContact CA-OG1 3.42Å; G246-T283 PolarHBondContact N-O 3.08Å; G246-T283 PolarHBondContact N-OG1 3.43Å; A247-T283 HydrophobicContact CB-CG2 4.25Å; A247-T283 WeakPolarHBondContact CB-OG1 3.16Å; A247-T283 PolarHBondContact N-OG1 2.89Å; A247-T283 PolarHBondContact O-N 2.99Å; A247-T283 PolarHBondContact O-OG1 3.09Å; V249-T283 HydrophobicContact CB-CG2 4.36Å; V249-T283 HydrophobicContact CG2-CG2 3.49Å; V249-T283 VanDerWaalsContact CG2-CG2 3.49Å; F264-T283 HydrophobicContact CE1-CG2 4.22Å; F264-T283 HydrophobicContact CZ-CG2 4.48Å; T283-F311 HydrophobicContact CG2-CE1 3.91Å; T283-F311 HydrophobicContact CG2-CE2 4.06Å; T283-F311 HydrophobicContact CG2-CZ 3.56Å
284P97.1Very high96.1Very high10 Ų1058.3 Ų58.37%0.06531%0.31CS..PPolyproline II helixtrans-73.2152.717625.9-31.5000110.9F264 M267 V269 Y313F264-P284 HydrophobicContact CB-CG 3.86Å; F264-P284 HydrophobicContact CG-CG 4.19Å; M267-P284 HydrophobicContact CE-CB 3.51Å; M267-P284 HydrophobicContact CG-CB 4.07Å; M267-P284 HydrophobicContact CG-CG 4.36Å; M267-P284 HydrophobicContact SD-CB 3.4Å; M267-P284 WeakPolarHBondContact SD-CB 3.35Å; M267-P284 HydrophobicContact SD-CG 4.16Å; V269-P284 HydrophobicContact CG1-CB 4.25Å; V269-P284 HydrophobicContact CG1-CG 3.66Å; P284-Y313 WeakPolarHBondContact CD-OH 3.35Å; P284-Y313 WeakPolarHBondContact CG-OH 3.43Å; P284-Y313 WeakPolarHBondContact O-CE1 3.4Å; P284-Y313 PolarHBondContact O-OH 3.36Å
285P95.6Very high96.2Very high90 Ų9054.5 Ų54.558%0.58429%0.29SS*.PPolyproline II helixtrans-61.6139.7166.8-19.331.7000111.1T244T244-P285 WeakPolarHBondContact O-CB 3.11Å; T244-P285 WeakPolarHBondContact O-CG 3.35Å
286R93.8Very high96.1Very high76 Ų7651.6 Ų51.629%0.28727%0.273SS..  trans-144.8121.1179.2-170.7-175.6-171.5-130.714110.4T243 I288 P289 G290 Y313T243-R286 WeakPolarHBondContact CA-O 3.25Å; T243-R286 WeakPolarHBondContact CB-O 3.35Å; T243-R286 VanDerWaalsContact CG2-O 3.22Å; T243-R286 WeakPolarHBondContact CG2-O 3.34Å; T243-R286 PolarHBondContact O-N 3.36Å; T243-R286 VanDerWaalsContact O-O 3.12Å; R286-I288 VanDerWaalsContact C-N 3.34Å; R286-I288 WeakPolarHBondContact CD-O 3.38Å; R286-I288 WeakPolarHBondContact CG-O 3.45Å; R286-I288 PolarHBondContact NH1-O 2.92Å; R286-I288 PolarHBondContact O-N 3.32Å; R286-P289 PolarHBondContact NH1-O 2.98Å; R286-G290 PolarHBondContact NH1-O 2.89Å; R286-Y313 HydrophobicContact CB-CD1 4.07Å; R286-Y313 HydrophobicContact CB-CD2 4.42Å; R286-Y313 HydrophobicContact CB-CE1 3.96Å; R286-Y313 HydrophobicContact CB-CE2 4.35Å; R286-Y313 HydrophobicContact CB-CG 4.25Å
287H90.2Very high96.1Very high172 Ų17248.9 Ų48.980%0.79626%0.255SS*.SBendtrans-75.4-18-176.962.4-87.4000114.6
288I92.2Very high95.8Very high92 Ų9247.6 Ų47.647%0.47225%0.247SC..SBendtrans-103.6124.8178.3-43.2-176.8000109.5R286R286-I288 VanDerWaalsContact C-N 3.34Å; R286-I288 WeakPolarHBondContact CD-O 3.38Å; R286-I288 WeakPolarHBondContact CG-O 3.45Å; R286-I288 PolarHBondContact NH1-O 2.92Å; R286-I288 PolarHBondContact O-N 3.32Å
289P92.7Very high95.4Very high50 Ų5054.3 Ų54.333%0.32527%0.273SS..  trans-69.4178.2171.329.6-34.1000112.4T243 R286 Y313 A315T243-P289 HydrophobicContact CG2-CB 4.39Å; R286-P289 PolarHBondContact NH1-O 2.98Å; P289-Y313 CarbonylContact C-O 3.54Å; P289-Y313 WeakPolarHBondContact CA-O 3.47Å; P289-Y313 VanDerWaalsContact CB-O 3.31Å; P289-Y313 WeakPolarHBondContact CB-O 3.36Å; P289-A315 HydrophobicContact CB-CB 4.25Å; P289-A315 HydrophobicContact CG-CB 4.4Å
290G94.3Very high94.7Very high31 Ų3160.4 Ų60.432%0.3232%0.316SS..EExtended strand (participates in β ladder)trans98.4-174.5179.600000114.5R286 Y313R286-G290 PolarHBondContact NH1-O 2.89Å; G290-Y313 PolarHBondContact N-O 3.48Å; G290-Y313 PolarHBondContact O-N 2.73Å
291V96.9Very high94.4Very high83 Ų8363 Ų6350%0.50333%0.329SS..EExtended strand (participates in β ladder)trans-72.6139.7-172-169.70000111.7R310 I312V291-R310 HydrophobicContact CG1-CB 4.13Å; V291-R310 HydrophobicContact CG1-CG 4.26Å; V291-I312 HydrophobicContact CG2-CG1 4.39Å
292V97.3Very high94.2Very high6 Ų666.5 Ų66.54%0.03635%0.346CS..EExtended strand (participates in β ladder)trans-122.3133.5172173.40000109.4F264 R310 F311 Y313F264-V292 HydrophobicContact CB-CG1 4.07Å; F264-V292 HydrophobicContact CD1-CG1 4.44Å; V292-R310 WeakPolarHBondContact O-CA 3.2Å; V292-F311 PolarHBondContact N-O 2.81Å; V292-F311 PolarHBondContact O-N 3.2Å; V292-Y313 HydrophobicContact CB-CD2 4.3Å; V292-Y313 HydrophobicContact CB-CE2 4.31Å; V292-Y313 HydrophobicContact CG2-CD2 3.58Å; V292-Y313 HydrophobicContact CG2-CE2 3.82Å
293E97.6Very high94Very high96 Ų9664.2 Ų64.245%0.44934%0.335SS..EExtended strand (participates in β ladder)trans-78.8129.6169.7-63.2-165.4148.400110.3G265 P308 G309G265-E293 WeakPolarHBondContact CA-O 3.39Å; G265-E293 PolarHBondContact N-O 3.2Å; E293-P308 HydrophobicContact CB-CB 3.92Å; E293-P308 HydrophobicContact CB-CG 4.09Å; E293-P308 HydrophobicContact CG-CB 4.36Å; E293-P308 HydrophobicContact CG-CG 3.97Å; E293-G309 CarbonylContact C-O 3.53Å; E293-G309 WeakPolarHBondContact CA-O 3.22Å
294V98Very high93.8Very high0 Ų064.8 Ų64.80%034%0.339CS..EExtended strand (participates in β ladder)trans-106.6124.6178-176.30000108.8I233 I236 I251 V262 I263 F264 P308 G309 F311I233-V294 HydrophobicContact CD1-CG1 4.27Å; I233-V294 WeakPolarHBondContact CD1-O 3.38Å; I236-V294 HydrophobicContact CD1-CB 3.48Å; I236-V294 VanDerWaalsContact CD1-CB 3.48Å; I236-V294 HydrophobicContact CD1-CG1 3.69Å; I236-V294 HydrophobicContact CD1-CG2 3.67Å; I251-V294 HydrophobicContact CD1-CG1 3.79Å; V262-V294 HydrophobicContact CG1-CG1 3.76Å; I263-V294 CarbonylContact O-C 3.58Å; I263-V294 VanDerWaalsContact O-CA 3.3Å; I263-V294 WeakPolarHBondContact O-CA 3.36Å; F264-V294 HydrophobicContact CD1-CG2 3.86Å; F264-V294 HydrophobicContact CD2-CG1 4.17Å; F264-V294 HydrophobicContact CD2-CG2 4.32Å; F264-V294 HydrophobicContact CE1-CG2 3.84Å; F264-V294 HydrophobicContact CE2-CG1 3.97Å; F264-V294 HydrophobicContact CE2-CG2 4.29Å; F264-V294 HydrophobicContact CG-CG2 4.11Å; F264-V294 HydrophobicContact CZ-CG1 4.37Å; F264-V294 HydrophobicContact CZ-CG2 4.06Å; V294-P308 WeakPolarHBondContact O-CB 3.47Å; V294-G309 PolarHBondContact N-O 3.46Å; V294-G309 PolarHBondContact O-N 2.82Å; V294-F311 HydrophobicContact CG2-CB 3.95Å
295T97.7Very high93.6Very high7 Ų770.8 Ų70.84%0.04336%0.364CS..EExtended strand (participates in β ladder)trans-129.9169.8-177.959.10000111.1I263 Q302 P308I263-T295 PolarHBondContact N-O 2.99Å; I263-T295 PolarHBondContact O-N 3.45Å; T295-Q302 PolarHBondContact OG1-NE2 2.97Å; T295-P308 HydrophobicContact CG2-CB 3.99Å
296L96.3Very high93.4Very high0 Ų070.1 Ų70.10%037%0.373CS..EExtended strand (participates in β ladder)trans-116150-178.7-51.9172.7000109.9P231 I233 F256 L260 Q261 V262 Q302 F303P231-L296 HydrophobicContact CB-CD1 3.92Å; P231-L296 HydrophobicContact CG-CD1 4.45Å; I233-L296 HydrophobicContact CD1-CD1 4.39Å; I233-L296 HydrophobicContact CD1-CD2 4.07Å; I233-L296 HydrophobicContact CD1-CG 3.97Å; I233-L296 HydrophobicContact CG1-CD1 3.84Å; I233-L296 HydrophobicContact CG1-CD2 4.23Å; I233-L296 HydrophobicContact CG1-CG 3.99Å; F256-L296 HydrophobicContact CD1-CD1 4.22Å; F256-L296 HydrophobicContact CE1-CD1 3.62Å; F256-L296 HydrophobicContact CZ-CD1 4.48Å; L260-L296 HydrophobicContact CD1-CB 4.12Å; L260-L296 HydrophobicContact CD2-CD1 4.22Å; L260-L296 HydrophobicContact CG-CB 4.42Å; Q261-L296 CarbonylContact O-C 3.54Å; Q261-L296 WeakPolarHBondContact O-CA 3.28Å; V262-L296 HydrophobicContact CG2-CD2 3.81Å; L296-Q302 CarbonylContact O-C 3.44Å; L296-Q302 WeakPolarHBondContact O-CA 3.44Å; L296-Q302 WeakPolarHBondContact O-CG 3.33Å; L296-F303 HydrophobicContact CB-CB 4.29Å; L296-F303 HydrophobicContact CB-CD2 4.22Å; L296-F303 PolarHBondContact O-N 2.96Å
297S94.1Very high93.4Very high14 Ų1471.8 Ų71.810%0.09839%0.392CS..EExtended strand (participates in β ladder)trans-143.6140.3-177.71700000112.2Q261 K301Q261-S297 WeakPolarHBondContact CA-O 3.33Å; Q261-S297 VanDerWaalsContact CB-O 3.29Å; Q261-S297 WeakPolarHBondContact CB-O 3.45Å; Q261-S297 PolarHBondContact N-O 2.98Å; Q261-S297 PolarHBondContact O-N 2.86Å; Q261-S297 PolarHBondContact OE1-OG 3.34Å; S297-K301 CarbonylContact C-O 3.56Å; S297-K301 WeakPolarHBondContact CA-O 3.05Å
298Y92.6Very high93.7Very high71 Ų7164.9 Ų64.928%0.27836%0.362SS..EExtended strand (participates in β ladder)trans-152.9126.7171.8-176.5-109.6000110.8F257 G259 S300 K301F257-Y298 AromaticContact CE2-CD1 3.88Å; F257-Y298 HydrophobicContact CE2-CD1 3.88Å; F257-Y298 AromaticContact CE2-CD2 3.72Å; F257-Y298 HydrophobicContact CE2-CD2 3.72Å; F257-Y298 HydrophobicContact CE2-CE1 4.06Å; F257-Y298 AromaticContact CE2-CE2 3.9Å; F257-Y298 HydrophobicContact CE2-CE2 3.9Å; F257-Y298 AromaticContact CE2-CG 3.69Å; F257-Y298 HydrophobicContact CE2-CG 3.69Å; F257-Y298 HydrophobicContact CZ-CD1 4.01Å; F257-Y298 HydrophobicContact CZ-CD2 4.4Å; F257-Y298 AromaticContact CZ-CG 3.93Å; F257-Y298 HydrophobicContact CZ-CG 3.93Å; G259-Y298 WeakPolarHBondContact O-CD2 3.38Å; Y298-S300 VanDerWaalsContact C-N 3.34Å; Y298-S300 PolarHBondContact O-N 2.69Å; Y298-K301 PolarHBondContact N-O 2.88Å; Y298-K301 WeakPolarHBondContact O-CB 3.29Å; Y298-K301 PolarHBondContact O-N 2.81Å
299K88.2Confident93.9Very high158 Ų15860.9 Ų60.969%0.68734%0.344SS*.THydrogen-bonded Turntrans44.255.5176.7-66.1179.5176.8160.20112.9K301K299-K301 PolarHBondContact O-N 2.92Å; K299-K301 VanDerWaalsContact O-N 3.1Å
300S85.2Confident94.2Very high131 Ų13166.2 Ų66.292%0.91636%0.358SS*.THydrogen-bonded Turntrans65.40.2-178.2-47.30000116.8Y298Y298-S300 VanDerWaalsContact C-N 3.34Å; Y298-S300 PolarHBondContact O-N 2.69Å
301K90.9Very high94.4Very high143 Ų14364.8 Ų64.862%0.62234%0.342SS*.EExtended strand (participates in β ladder)trans-90.8126.5168.6-61.5-178-179.2179.90109.2S297 Y298 K299 F303S297-K301 CarbonylContact C-O 3.56Å; S297-K301 WeakPolarHBondContact CA-O 3.05Å; Y298-K301 PolarHBondContact N-O 2.88Å; Y298-K301 WeakPolarHBondContact O-CB 3.29Å; Y298-K301 PolarHBondContact O-N 2.81Å; K299-K301 PolarHBondContact O-N 2.92Å; K299-K301 VanDerWaalsContact O-N 3.1Å; K301-F303 HydrophobicContact CB-CE1 4.27Å; K301-F303 HydrophobicContact CB-CE2 4.36Å; K301-F303 HydrophobicContact CB-CZ 3.86Å
302Q92.6Very high94.4Very high76 Ų7664.2 Ų64.236%0.35534%0.336SS..EExtended strand (participates in β ladder)trans-111.4130.6176.3-166.8176.72.300109.8I263 T295 L296 K305I263-Q302 HydrophobicContact CD1-CG 4.35Å; T295-Q302 PolarHBondContact OG1-NE2 2.97Å; L296-Q302 CarbonylContact O-C 3.44Å; L296-Q302 WeakPolarHBondContact O-CA 3.44Å; L296-Q302 WeakPolarHBondContact O-CG 3.33Å; Q302-K305 HydrophobicContact CG-CG 4.34Å
303F93.8Very high94.3Very high38 Ų3864.1 Ų64.117%0.16734%0.335CS..EExtended strand (participates in β ladder)trans-109.1170.3-175.4-45.2-83.3000110.9T230 P231 L260 L296 K301 K305T230-F303 HydrophobicContact CG2-CD1 3.71Å; T230-F303 HydrophobicContact CG2-CE1 4.25Å; P231-F303 HydrophobicContact CG-CB 4.19Å; P231-F303 HydrophobicContact CG-CD1 4.08Å; P231-F303 HydrophobicContact CG-CD2 3.61Å; P231-F303 HydrophobicContact CG-CE1 4.34Å; P231-F303 HydrophobicContact CG-CE2 3.91Å; P231-F303 HydrophobicContact CG-CG 3.69Å; P231-F303 HydrophobicContact CG-CZ 4.26Å; L260-F303 HydrophobicContact CD1-CD2 4.23Å; L260-F303 HydrophobicContact CD1-CE2 4.11Å; L296-F303 HydrophobicContact CB-CB 4.29Å; L296-F303 HydrophobicContact CB-CD2 4.22Å; L296-F303 PolarHBondContact O-N 2.96Å; K301-F303 HydrophobicContact CB-CE1 4.27Å; K301-F303 HydrophobicContact CB-CE2 4.36Å; K301-F303 HydrophobicContact CB-CZ 3.86Å; F303-K305 PolarHBondContact O-N 2.72Å
304C93.8Very high94.1Very high16 Ų1661.4 Ų61.411%0.10833%0.325CS..  trans59.59.4179.2-60.70000116.8I233 G306 T307 P308I233-C304 HydrophobicContact CD1-CB 4.44Å; I233-C304 PolarHBondContact N-SG 2.92Å; I233-C304 VanDerWaalsContact N-SG 3.42Å; C304-G306 VanDerWaalsContact C-N 3.26Å; C304-G306 PolarHBondContact O-N 3.43Å; C304-G306 VanDerWaalsContact O-N 3.17Å; C304-T307 CarbonylContact O-C 3.57Å; C304-T307 PolarHBondContact O-N 2.84Å; C304-P308 VanDerWaalsContact O-CA 3.24Å; C304-P308 WeakPolarHBondContact O-CA 3.22Å; C304-P308 WeakPolarHBondContact O-CD 3.49Å
305K92.3Very high93.6Very high137 Ų13761.7 Ų61.760%0.59633%0.328SS*.THydrogen-bonded Turntrans-53.9-37.3177.8-74-165.8173.8-177.30114.8Q302 F303Q302-K305 HydrophobicContact CG-CG 4.34Å; F303-K305 PolarHBondContact O-N 2.72Å
306G91.4Very high92.6Very high76 Ų7664.5 Ų64.578%0.78434%0.342SS*.THydrogen-bonded Turntrans-86.6-10.6178.600000114.7C304C304-G306 VanDerWaalsContact C-N 3.26Å; C304-G306 PolarHBondContact O-N 3.43Å; C304-G306 VanDerWaalsContact O-N 3.17Å
307T93.6Very high91.6Very high110 Ų11069.8 Ų69.868%0.67537%0.37SS*.SBendtrans-147.363.5179.836.70000109.2C304C304-T307 CarbonylContact O-C 3.57Å; C304-T307 PolarHBondContact O-N 2.84Å
308P96.7Very high90.4Very high27 Ų2772.2 Ų72.218%0.17538%0.38CS..  trans-73.5153.9-175.230.2-34.7000110.5E293 V294 T295 C304E293-P308 HydrophobicContact CB-CB 3.92Å; E293-P308 HydrophobicContact CB-CG 4.09Å; E293-P308 HydrophobicContact CG-CB 4.36Å; E293-P308 HydrophobicContact CG-CG 3.97Å; V294-P308 WeakPolarHBondContact O-CB 3.47Å; T295-P308 HydrophobicContact CG2-CB 3.99Å; C304-P308 VanDerWaalsContact O-CA 3.24Å; C304-P308 WeakPolarHBondContact O-CA 3.22Å; C304-P308 WeakPolarHBondContact O-CD 3.49Å
309G97Very high89.3Confident8 Ų874 Ų748%0.08240%0.4CS..EExtended strand (participates in β ladder)trans-64.1160.8160.100000110.1E293 V294E293-G309 CarbonylContact C-O 3.53Å; E293-G309 WeakPolarHBondContact CA-O 3.22Å; V294-G309 PolarHBondContact N-O 3.46Å; V294-G309 PolarHBondContact O-N 2.82Å
310R97.7Very high88.6Confident163 Ų16371 Ų7162%0.61540%0.395SS*.EExtended strand (participates in β ladder)trans-127.8133.5176.6-67.7-177.4175.8-163.1-5.3109.5V291 V292V291-R310 HydrophobicContact CG1-CB 4.13Å; V291-R310 HydrophobicContact CG1-CG 4.26Å; V292-R310 WeakPolarHBondContact O-CA 3.2Å
311F98.1Very high88.2Confident0 Ų066.8 Ų66.80%036%0.362CS..EExtended strand (participates in β ladder)trans-128.8134.8175.1-171.8-92.9000109.3I236 P238 S239 E240 G241 V249 F264 T283 V292 V294 Y313I236-F311 HydrophobicContact CG2-CD2 4.21Å; P238-F311 WeakPolarHBondContact O-CE2 3.35Å; S239-F311 CarbonylContact O-C 3.59Å; S239-F311 WeakPolarHBondContact O-CA 3.48Å; E240-F311 WeakPolarHBondContact O-CZ 3.47Å; G241-F311 VanDerWaalsContact N-CZ 3.32Å; V249-F311 HydrophobicContact CG2-CD2 4.43Å; V249-F311 HydrophobicContact CG2-CE2 3.65Å; V249-F311 HydrophobicContact CG2-CZ 4.23Å; F264-F311 HydrophobicContact CD1-CB 4.34Å; F264-F311 HydrophobicContact CD1-CD1 4.41Å; F264-F311 HydrophobicContact CD1-CG 4.44Å; F264-F311 HydrophobicContact CE1-CB 3.87Å; F264-F311 AromaticContact CE1-CD1 3.99Å; F264-F311 HydrophobicContact CE1-CD1 3.99Å; F264-F311 HydrophobicContact CE1-CD2 4.22Å; F264-F311 AromaticContact CE1-CG 3.75Å; F264-F311 HydrophobicContact CE1-CG 3.75Å; T283-F311 HydrophobicContact CG2-CE1 3.91Å; T283-F311 HydrophobicContact CG2-CE2 4.06Å; T283-F311 HydrophobicContact CG2-CZ 3.56Å; V292-F311 PolarHBondContact N-O 2.81Å; V292-F311 PolarHBondContact O-N 3.2Å; V294-F311 HydrophobicContact CG2-CB 3.95Å; F311-Y313 AromaticContact CD1-CD2 3.85Å; F311-Y313 HydrophobicContact CD1-CD2 3.85Å; F311-Y313 AromaticContact CD1-CE2 3.65Å; F311-Y313 HydrophobicContact CD1-CE2 3.65Å; F311-Y313 HydrophobicContact CD1-CG 4.44Å; F311-Y313 HydrophobicContact CE1-CD1 4.33Å; F311-Y313 HydrophobicContact CE1-CD2 4.19Å; F311-Y313 HydrophobicContact CE1-CE1 4.19Å; F311-Y313 HydrophobicContact CE1-CE2 4.01Å; F311-Y313 HydrophobicContact CE1-CG 4.38Å
312I97.2Very high87.6Confident71 Ų7162.2 Ų62.236%0.36434%0.344SS..EExtended strand (participates in β ladder)trans-102.5122.3-177-52.5-177.7000109.5S239 E240 G241 V291S239-I312 PolarHBondContact O-N 3.06Å; E240-I312 CarbonylContact C-O 3.6Å; E240-I312 WeakPolarHBondContact CA-O 3.37Å; E240-I312 HydrophobicContact CB-CB 4.02Å; G241-I312 PolarHBondContact N-O 2.77Å; V291-I312 HydrophobicContact CG2-CG1 4.39Å
313Y96.2Very high87.1Confident4 Ų463.2 Ų63.22%0.01635%0.346CS..EExtended strand (participates in β ladder)trans-91.9122.1170.1-80.7-86000110.7G241 W242 F264 P284 R286 P289 G290 V292 F311G241-Y313 WeakPolarHBondContact O-CA 3.46Å; W242-Y313 WeakPolarHBondContact O-CD1 3.49Å; F264-Y313 HydrophobicContact CD1-CE2 4.3Å; P284-Y313 WeakPolarHBondContact CD-OH 3.35Å; P284-Y313 WeakPolarHBondContact CG-OH 3.43Å; P284-Y313 WeakPolarHBondContact O-CE1 3.4Å; P284-Y313 PolarHBondContact O-OH 3.36Å; R286-Y313 HydrophobicContact CB-CD1 4.07Å; R286-Y313 HydrophobicContact CB-CD2 4.42Å; R286-Y313 HydrophobicContact CB-CE1 3.96Å; R286-Y313 HydrophobicContact CB-CE2 4.35Å; R286-Y313 HydrophobicContact CB-CG 4.25Å; P289-Y313 CarbonylContact C-O 3.54Å; P289-Y313 WeakPolarHBondContact CA-O 3.47Å; P289-Y313 VanDerWaalsContact CB-O 3.31Å; P289-Y313 WeakPolarHBondContact CB-O 3.36Å; G290-Y313 PolarHBondContact N-O 3.48Å; G290-Y313 PolarHBondContact O-N 2.73Å; V292-Y313 HydrophobicContact CB-CD2 4.3Å; V292-Y313 HydrophobicContact CB-CE2 4.31Å; V292-Y313 HydrophobicContact CG2-CD2 3.58Å; V292-Y313 HydrophobicContact CG2-CE2 3.82Å; F311-Y313 AromaticContact CD1-CD2 3.85Å; F311-Y313 HydrophobicContact CD1-CD2 3.85Å; F311-Y313 AromaticContact CD1-CE2 3.65Å; F311-Y313 HydrophobicContact CD1-CE2 3.65Å; F311-Y313 HydrophobicContact CD1-CG 4.44Å; F311-Y313 HydrophobicContact CE1-CD1 4.33Å; F311-Y313 HydrophobicContact CE1-CD2 4.19Å; F311-Y313 HydrophobicContact CE1-CE1 4.19Å; F311-Y313 HydrophobicContact CE1-CE2 4.01Å; F311-Y313 HydrophobicContact CE1-CG 4.38Å
314T91.9Very high86.7Confident39 Ų3962.4 Ų62.424%0.23935%0.348CS..EExtended strand (participates in β ladder)trans-108.4138.7174.4-53.70000109.1G241 W242 T243 I321G241-T314 PolarHBondContact O-N 2.81Å; W242-T314 WeakPolarHBondContact CA-O 3.43Å; W242-T314 HydrophobicContact CE3-CG2 4.42Å; W242-T314 HydrophobicContact CZ3-CG2 3.95Å; T243-T314 PolarHBondContact N-O 2.85Å; T314-I321 HydrophobicContact CG2-CD1 4.2Å
315A87.6Confident86.4Confident7 Ų763.1 Ų63.16%0.05835%0.349CS..  trans-95.4126-179.600000111.7T243 P289 N317 E318T243-A315 HydrophobicContact CG2-CB 3.81Å; T243-A315 WeakPolarHBondContact OG1-CA 3.27Å; P289-A315 HydrophobicContact CB-CB 4.25Å; P289-A315 HydrophobicContact CG-CB 4.4Å; A315-N317 WeakPolarHBondContact CB-OD1 3.49Å; A315-N317 PolarHBondContact O-N 3.12Å; A315-E318 HydrophobicContact CB-CG 3.97Å; A315-E318 PolarHBondContact O-N 3.06Å; A315-E318 VanDerWaalsContact O-N 3.16Å
316L77Confident86.1Confident65 Ų6562 Ų6234%0.3435%0.346SS..THydrogen-bonded Turntrans-63.3-14-179.5-81.7164.2000114.6W242 T244 K344W242-L316 HydrophobicContact CB-CD1 4.21Å; W242-L316 HydrophobicContact CB-CG 4.46Å; W242-L316 HydrophobicContact CD2-CD1 4.02Å; W242-L316 HydrophobicContact CD2-CD2 3.73Å; W242-L316 HydrophobicContact CD2-CG 3.62Å; W242-L316 HydrophobicContact CE3-CD1 4.39Å; W242-L316 HydrophobicContact CE3-CD2 3.67Å; W242-L316 HydrophobicContact CE3-CG 3.52Å; W242-L316 HydrophobicContact CG-CD1 3.93Å; W242-L316 HydrophobicContact CG-CD2 4.48Å; W242-L316 HydrophobicContact CG-CG 4.04Å; W242-L316 HydrophobicContact CH2-CD2 3.69Å; W242-L316 HydrophobicContact CH2-CG 4.47Å; W242-L316 HydrophobicContact CZ2-CD2 3.76Å; W242-L316 HydrophobicContact CZ3-CD2 3.64Å; W242-L316 HydrophobicContact CZ3-CG 3.96Å; T244-L316 HydrophobicContact CG2-CD1 4.46Å; L316-K344 PolarHBondContact O-NZ 3.33Å
317N75.2Confident85.9Confident111 Ų11161.1 Ų61.159%0.59432%0.319SS*.THydrogen-bonded Turntrans-115.722.4-178.166.6-36.7000112.4A315 D322A315-N317 WeakPolarHBondContact CB-OD1 3.49Å; A315-N317 PolarHBondContact O-N 3.12Å; N317-D322 WeakPolarHBondContact CA-OD2 3.31Å
318E70.5Confident85.7Confident66 Ų6658.2 Ų58.231%0.30830%0.299SS..  trans-59.6135.4167.5-73.4-166.2179.400109.8A315 T320 I321 D322A315-E318 HydrophobicContact CB-CG 3.97Å; A315-E318 PolarHBondContact O-N 3.06Å; A315-E318 VanDerWaalsContact O-N 3.16Å; E318-T320 WeakPolarHBondContact CB-OG1 3.34Å; E318-T320 PolarHBondContact O-N 3.28Å; E318-T320 VanDerWaalsContact O-N 3.08Å; E318-T320 PolarHBondContact OE2-OG1 2.92Å; E318-I321 HydrophobicContact CB-CB 4.47Å; E318-I321 HydrophobicContact CB-CD1 4.34Å; E318-I321 HydrophobicContact CB-CG1 4.27Å; E318-I321 PolarHBondContact O-N 3.01Å; E318-D322 PolarHBondContact O-N 3.45Å
319P68.9Low85.3Confident109 Ų10959.9 Ų59.971%0.70830%0.304SS*.Hα-helixtrans-55.6-30.1179.4-27.835.1000113.5Y323P319-Y323 WeakPolarHBondContact O-CB 3.49Å; P319-Y323 PolarHBondContact O-N 3.36Å
320T72.7Confident84.8Confident93 Ų9367.9 Ų67.957%0.57134%0.337SS*.Hα-helixtrans-61.3-47.7173.1470000112.2E318 G324E318-T320 WeakPolarHBondContact CB-OG1 3.34Å; E318-T320 PolarHBondContact O-N 3.28Å; E318-T320 VanDerWaalsContact O-N 3.08Å; E318-T320 PolarHBondContact OE2-OG1 2.92Å; T320-G324 PolarHBondContact O-N 3.05Å
321I77.7Confident84.3Confident44 Ų4464.1 Ų64.123%0.22633%0.332CS..Hα-helixtrans-68.8-48.3178.8-66179000110T314 E318 Y323 G324 F325T314-I321 HydrophobicContact CG2-CD1 4.2Å; E318-I321 HydrophobicContact CB-CB 4.47Å; E318-I321 HydrophobicContact CB-CD1 4.34Å; E318-I321 HydrophobicContact CB-CG1 4.27Å; E318-I321 PolarHBondContact O-N 3.01Å; I321-Y323 PolarHBondContact O-N 3.01Å; I321-G324 CarbonylContact O-C 3.03Å; I321-G324 WeakPolarHBondContact O-CA 3.36Å; I321-G324 PolarHBondContact O-N 3.16Å; I321-G324 VanDerWaalsContact O-N 3.09Å; I321-F325 HydrophobicContact CG2-CD2 3.78Å; I321-F325 HydrophobicContact CG2-CE2 3.67Å; I321-F325 VanDerWaalsContact O-CD2 3.3Å; I321-F325 WeakPolarHBondContact O-CD2 3.39Å; I321-F325 PolarHBondContact O-N 3.29Å
322D78.5Confident83.8Confident47 Ų4764.5 Ų64.525%0.25133%0.334SS..Hα-helixtrans-66.1-35.4-179.9-78.9-31.2000112.6N317 E318 F325 Q326 K344N317-D322 WeakPolarHBondContact CA-OD2 3.31Å; E318-D322 PolarHBondContact O-N 3.45Å; D322-F325 PolarHBondContact O-N 2.86Å; D322-Q326 WeakPolarHBondContact O-CG 3.42Å; D322-Q326 PolarHBondContact O-N 3Å; D322-K344 WeakPolarHBondContact OD1-CE 3.35Å; D322-K344 IonicContact OD1-NZ 2.67Å; D322-K344 PolarHBondContact OD1-NZ 2.98Å
323Y82.1Confident83.2Confident97 Ų9764.5 Ų64.538%0.3834%0.338SS..Hα-helixtrans-64.5-38.5169.6-180-110.2000112.2P319 I321 Q326 R327P319-Y323 WeakPolarHBondContact O-CB 3.49Å; P319-Y323 PolarHBondContact O-N 3.36Å; I321-Y323 PolarHBondContact O-N 3.01Å; Y323-Q326 PolarHBondContact O-N 2.69Å; Y323-R327 VanDerWaalsContact CZ-CD 3.41Å; Y323-R327 PolarHBondContact O-N 3.36Å
324G85.5Confident82.7Confident21 Ų2170.5 Ų70.522%0.21636%0.361CS..Hα-helixtrans-56.9-49.6170.300000112.1T320 I321 Q326 R327 L328T320-G324 PolarHBondContact O-N 3.05Å; I321-G324 CarbonylContact O-C 3.03Å; I321-G324 WeakPolarHBondContact O-CA 3.36Å; I321-G324 PolarHBondContact O-N 3.16Å; I321-G324 VanDerWaalsContact O-N 3.09Å; G324-Q326 PolarHBondContact O-N 3.07Å; G324-R327 PolarHBondContact O-N 3.16Å; G324-L328 WeakPolarHBondContact O-CG 3.3Å; G324-L328 PolarHBondContact O-N 3.22Å
325F86.9Confident82.3Confident31 Ų3173.6 Ų73.614%0.13637%0.373CS..Hα-helixtrans-61.6-40.4175.4-83.8-74.5000113I321 D322 R327 L328 Q329 K344 I347 L348I321-F325 HydrophobicContact CG2-CD2 3.78Å; I321-F325 HydrophobicContact CG2-CE2 3.67Å; I321-F325 VanDerWaalsContact O-CD2 3.3Å; I321-F325 WeakPolarHBondContact O-CD2 3.39Å; I321-F325 PolarHBondContact O-N 3.29Å; D322-F325 PolarHBondContact O-N 2.86Å; F325-R327 VanDerWaalsContact C-N 3.33Å; F325-R327 PolarHBondContact O-N 3.26Å; F325-L328 PolarHBondContact O-N 3.19Å; F325-Q329 WeakPolarHBondContact O-CB 3.32Å; F325-Q329 PolarHBondContact O-N 3Å; F325-K344 HydrophobicContact CD1-CB 4.07Å; F325-K344 HydrophobicContact CD1-CD 4.29Å; F325-K344 HydrophobicContact CD1-CG 3.74Å; F325-K344 HydrophobicContact CD2-CD 3.89Å; F325-K344 HydrophobicContact CD2-CG 4.25Å; F325-K344 HydrophobicContact CE1-CB 3.48Å; F325-K344 VanDerWaalsContact CE1-CB 3.48Å; F325-K344 HydrophobicContact CE1-CD 4.1Å; F325-K344 HydrophobicContact CE1-CG 3.62Å; F325-K344 WeakPolarHBondContact CE1-O 3.04Å; F325-K344 HydrophobicContact CE2-CD 3.67Å; F325-K344 HydrophobicContact CE2-CG 4.14Å; F325-K344 HydrophobicContact CG-CD 4.21Å; F325-K344 HydrophobicContact CG-CG 4.07Å; F325-K344 HydrophobicContact CZ-CB 3.74Å; F325-K344 HydrophobicContact CZ-CD 3.79Å; F325-K344 HydrophobicContact CZ-CG 3.84Å; F325-I347 HydrophobicContact CD1-CB 4.3Å; F325-I347 HydrophobicContact CD1-CD1 4.21Å; F325-I347 HydrophobicContact CD1-CG2 3.92Å; F325-I347 HydrophobicContact CE1-CB 4.41Å; F325-I347 HydrophobicContact CE1-CG2 4.26Å; F325-L348 HydrophobicContact CE1-CD1 4.34Å; F325-L348 HydrophobicContact CE1-CD2 4.2Å; F325-L348 HydrophobicContact CE1-CG 3.89Å; F325-L348 HydrophobicContact CZ-CD1 3.99Å; F325-L348 HydrophobicContact CZ-CD2 4.22Å; F325-L348 HydrophobicContact CZ-CG 4Å
326Q85.6Confident82.1Confident114 Ų11479.9 Ų79.953%0.53341%0.413SS..Hα-helixtrans-63-36.9175-72.4172.632.500112.7D322 Y323 G324 K330D322-Q326 WeakPolarHBondContact O-CG 3.42Å; D322-Q326 PolarHBondContact O-N 3Å; Y323-Q326 PolarHBondContact O-N 2.69Å; G324-Q326 PolarHBondContact O-N 3.07Å; Q326-K330 WeakPolarHBondContact O-CG 3.06Å; Q326-K330 PolarHBondContact O-N 2.9Å
327R88.2Confident82.5Confident57 Ų5780.9 Ų80.922%0.21544%0.439CS..Hα-helixtrans-71.2-43.7174.4-82.9160.171.1-118.1-122.9111.9Y323 G324 F325 Q329 K330 V331 L380Y323-R327 VanDerWaalsContact CZ-CD 3.41Å; Y323-R327 PolarHBondContact O-N 3.36Å; G324-R327 PolarHBondContact O-N 3.16Å; F325-R327 VanDerWaalsContact C-N 3.33Å; F325-R327 PolarHBondContact O-N 3.26Å; R327-Q329 VanDerWaalsContact C-N 3.34Å; R327-Q329 PolarHBondContact O-N 2.89Å; R327-K330 WeakPolarHBondContact O-CB 3.46Å; R327-K330 PolarHBondContact O-N 2.91Å; R327-K330 VanDerWaalsContact O-N 3.12Å; R327-V331 PolarHBondContact O-N 3.09Å; R327-L380 HydrophobicContact CB-CD2 4.09Å; R327-L380 HydrophobicContact CG-CD2 4.46Å; R327-L380 PolarHBondContact NE-O 2.87Å; R327-L380 PolarHBondContact NH1-O 3.44Å
328L89.2Confident83Confident48 Ų4877.1 Ų77.125%0.25142%0.419SS..Hα-helixtrans-59.2-43.3174.5-71.4173.5000111.8G324 F325 K330 V331 I332 I347 L348 A351G324-L328 WeakPolarHBondContact O-CG 3.3Å; G324-L328 PolarHBondContact O-N 3.22Å; F325-L328 PolarHBondContact O-N 3.19Å; L328-K330 PolarHBondContact O-N 2.99Å; L328-K330 VanDerWaalsContact O-N 3.15Å; L328-V331 WeakPolarHBondContact O-CG2 3.4Å; L328-V331 PolarHBondContact O-N 2.95Å; L328-V331 VanDerWaalsContact O-N 3.14Å; L328-I332 HydrophobicContact CB-CD1 4.24Å; L328-I332 WeakPolarHBondContact O-CB 3.13Å; L328-I332 VanDerWaalsContact O-CG1 3.26Å; L328-I332 WeakPolarHBondContact O-CG1 3.28Å; L328-I332 PolarHBondContact O-N 3.08Å; L328-I347 HydrophobicContact CB-CG2 3.49Å; L328-I347 VanDerWaalsContact CB-CG2 3.49Å; L328-I347 HydrophobicContact CD1-CG2 4.12Å; L328-I347 HydrophobicContact CG-CG2 4.44Å; L328-L348 HydrophobicContact CD1-CD2 4.3Å; L328-A351 HydrophobicContact CD2-CB 4.15Å
329Q86.7Confident83.7Confident62 Ų6277.4 Ų77.429%0.2943%0.426SS..Hα-helixtrans-62-22.2177.5-169.3176.4-10.100113.5F325 R327 E340 I347F325-Q329 WeakPolarHBondContact O-CB 3.32Å; F325-Q329 PolarHBondContact O-N 3Å; R327-Q329 VanDerWaalsContact C-N 3.34Å; R327-Q329 PolarHBondContact O-N 2.89Å; Q329-E340 PolarHBondContact NE2-O 3.37Å; Q329-I347 HydrophobicContact CB-CD1 4.2Å; Q329-I347 HydrophobicContact CG-CD1 4.46Å
330K87.1Confident84.3Confident177 Ų17780.4 Ų80.477%0.7743%0.431SS*.Hα-helixtrans-84.1-28.9175.3-71.2175.9-179.7-176.80114Q326 R327 L328Q326-K330 WeakPolarHBondContact O-CG 3.06Å; Q326-K330 PolarHBondContact O-N 2.9Å; R327-K330 WeakPolarHBondContact O-CB 3.46Å; R327-K330 PolarHBondContact O-N 2.91Å; R327-K330 VanDerWaalsContact O-N 3.12Å; L328-K330 PolarHBondContact O-N 2.99Å; L328-K330 VanDerWaalsContact O-N 3.15Å
331V88Confident84.9Confident83 Ų8385.7 Ų85.750%0.50344%0.44SS..Hα-helixtrans-97.5-19.7-176.1-59.90000113.6R327 L328R327-V331 PolarHBondContact O-N 3.09Å; L328-V331 WeakPolarHBondContact O-CG2 3.4Å; L328-V331 PolarHBondContact O-N 2.95Å; L328-V331 VanDerWaalsContact O-N 3.14Å
332I87.8Confident85.3Confident9 Ų984 Ų845%0.04643%0.432CS..SBendtrans-79.8130.1-179.1-71.3173.4000111.1L328 R334 I347 R350 A351 L354L328-I332 HydrophobicContact CB-CD1 4.24Å; L328-I332 WeakPolarHBondContact O-CB 3.13Å; L328-I332 VanDerWaalsContact O-CG1 3.26Å; L328-I332 WeakPolarHBondContact O-CG1 3.28Å; L328-I332 PolarHBondContact O-N 3.08Å; I332-R334 PolarHBondContact O-N 3.35Å; I332-I347 HydrophobicContact CD1-CB 4.23Å; I332-I347 HydrophobicContact CD1-CG2 3.61Å; I332-I347 WeakPolarHBondContact CD1-O 3.45Å; I332-R350 HydrophobicContact CD1-CB 4.29Å; I332-R350 HydrophobicContact CG2-CB 3.59Å; I332-R350 HydrophobicContact CG2-CG 4.26Å; I332-A351 HydrophobicContact CD1-CB 3.97Å; I332-L354 HydrophobicContact CG1-CD1 4.31Å
333P84.2Confident85.8Confident70 Ų7085 Ų8546%0.45544%0.441SS..PPolyproline II helixtrans-56.1131171.6-26.235.7000112.5R350 L354P333-R350 PolarHBondContact O-NH1 2.99Å; P333-L354 HydrophobicContact CG-CD2 4.43Å
334R84.7Confident86Confident130 Ų13083.8 Ų83.849%0.49144%0.438SS..PPolyproline II helixtrans-90.9136170.2-62.1-170.369.1-151.6-5.7109.5I332 D338 P339 L342I332-R334 PolarHBondContact O-N 3.35Å; R334-D338 WeakPolarHBondContact CA-OD2 3.28Å; R334-D338 PolarHBondContact NH2-O 3.4Å; R334-P339 VanDerWaalsContact NH2-C 3.28Å; R334-P339 PolarHBondContact NH2-O 2.9Å; R334-L342 HydrophobicContact CG-CD1 4.46Å
335H83.9Confident86.2Confident105 Ų10590.7 Ų90.749%0.48646%0.464SS..PPolyproline II helixtrans-96.6152.2178.5-63.176.8000109.6G337 D338 R350H335-G337 PolarHBondContact O-N 3.19Å; H335-D338 PolarHBondContact N-OD2 3.34Å; H335-D338 WeakPolarHBondContact O-CB 3.41Å; H335-D338 VanDerWaalsContact O-CG 3.3Å; H335-D338 PolarHBondContact O-N 2.98Å; H335-D338 VanDerWaalsContact O-N 3.1Å; H335-R350 VanDerWaalsContact ND1-CZ 3.26Å; H335-R350 PolarHBondContact ND1-NH1 3.12Å
336P84.1Confident86.4Confident139 Ų13991.6 Ų91.690%0.90347%0.472SS*.THydrogen-bonded Turntrans-54.6128.5171.9-24.934.9000111
337G84Confident86.6Confident86 Ų8686.3 Ų86.389%0.88745%0.447SS*.THydrogen-bonded Turntrans94.3-3.3-17600000115.7H335H335-G337 PolarHBondContact O-N 3.19Å
338D86.3Confident86.8Confident32 Ų3288 Ų8817%0.17146%0.46CS..  trans-63.2134.7176.6-83.2-16.9000113.1R334 H335 L342 R350R334-D338 WeakPolarHBondContact CA-OD2 3.28Å; R334-D338 PolarHBondContact NH2-O 3.4Å; H335-D338 PolarHBondContact N-OD2 3.34Å; H335-D338 WeakPolarHBondContact O-CB 3.41Å; H335-D338 VanDerWaalsContact O-CG 3.3Å; H335-D338 PolarHBondContact O-N 2.98Å; H335-D338 VanDerWaalsContact O-N 3.1Å; D338-L342 HydrophobicContact CB-CD2 4.02Å; D338-R350 IonicContact OD1-CZ 3.53Å; D338-R350 IonicContact OD1-NH1 2.8Å; D338-R350 IonicContact OD1-NH2 2.75Å; D338-R350 PolarHBondContact OD1-NH2 3.04Å; D338-R350 IonicContact OD2-CZ 3.97Å; D338-R350 IonicContact OD2-NH1 2.74Å; D338-R350 PolarHBondContact OD2-NH1 3.05Å; D338-R350 IonicContact OD2-NH2 3.95Å; D338-R350 PolarHBondContact OD2-NH2 2.87Å
339P86.6Confident87Confident72 Ų7292.3 Ų92.347%0.46848%0.477SS..  trans-62.1149.6169.828.8-35.5000110.6R334 R341 L342R334-P339 VanDerWaalsContact NH2-C 3.28Å; R334-P339 PolarHBondContact NH2-O 2.9Å; P339-R341 PolarHBondContact O-N 3.22Å; P339-R341 VanDerWaalsContact O-N 3.17Å; P339-L342 HydrophobicContact CG-CD2 4.37Å
340E81.2Confident87.2Confident172 Ų17291.1 Ų91.180%0.80447%0.47SS*.SBendtrans-51.8-40.3-178.3-172.3178.8-171.100112.6Q329Q329-E340 PolarHBondContact NE2-O 3.37Å
341R84.1Confident87.4Confident203 Ų20383.6 Ų83.677%0.76644%0.441SS*.SBendtrans-107.7109.2170.8-170.5176.1-175175.91.4110P339P339-R341 PolarHBondContact O-N 3.22Å; P339-R341 VanDerWaalsContact O-N 3.17Å
342L86.1Confident87.6Confident9 Ų981.8 Ų81.85%0.04744%0.435CS..  trans-69.6140.6174.3-73.6172.5000111.2R334 D338 P339 V346 I347R334-L342 HydrophobicContact CG-CD1 4.46Å; D338-L342 HydrophobicContact CB-CD2 4.02Å; P339-L342 HydrophobicContact CG-CD2 4.37Å; L342-V346 HydrophobicContact CD2-CG1 4.22Å; L342-I347 HydrophobicContact CB-CD1 4.07Å; L342-I347 HydrophobicContact CB-CG1 3.75Å
343P88.8Confident87.8Confident68 Ų6885.1 Ų85.144%0.44245%0.452SS..  trans-61.3146.1171.6-2333.6000112.4E345 V346 I347P343-E345 PolarHBondContact O-N 2.69Å; P343-V346 HydrophobicContact CB-CG2 4.15Å; P343-V346 HydrophobicContact CG-CG2 4.13Å; P343-V346 PolarHBondContact O-N 2.97Å; P343-I347 WeakPolarHBondContact O-CG1 3.48Å; P343-I347 PolarHBondContact O-N 3.48Å
344K87.3Confident88Confident72 Ų7285.2 Ų85.231%0.31345%0.449SS..Hα-helixtrans-53.1-39.6179.7-74.7-169.6169.2-174.40112.4L316 D322 F325 I347 L348L316-K344 PolarHBondContact O-NZ 3.33Å; D322-K344 WeakPolarHBondContact OD1-CE 3.35Å; D322-K344 IonicContact OD1-NZ 2.67Å; D322-K344 PolarHBondContact OD1-NZ 2.98Å; F325-K344 HydrophobicContact CD1-CB 4.07Å; F325-K344 HydrophobicContact CD1-CD 4.29Å; F325-K344 HydrophobicContact CD1-CG 3.74Å; F325-K344 HydrophobicContact CD2-CD 3.89Å; F325-K344 HydrophobicContact CD2-CG 4.25Å; F325-K344 HydrophobicContact CE1-CB 3.48Å; F325-K344 VanDerWaalsContact CE1-CB 3.48Å; F325-K344 HydrophobicContact CE1-CD 4.1Å; F325-K344 HydrophobicContact CE1-CG 3.62Å; F325-K344 WeakPolarHBondContact CE1-O 3.04Å; F325-K344 HydrophobicContact CE2-CD 3.67Å; F325-K344 HydrophobicContact CE2-CG 4.14Å; F325-K344 HydrophobicContact CG-CD 4.21Å; F325-K344 HydrophobicContact CG-CG 4.07Å; F325-K344 HydrophobicContact CZ-CB 3.74Å; F325-K344 HydrophobicContact CZ-CD 3.79Å; F325-K344 HydrophobicContact CZ-CG 3.84Å; K344-I347 PolarHBondContact O-N 3.47Å; K344-L348 PolarHBondContact O-N 2.93Å
345E89.3Confident88.2Confident165 Ų16582.4 Ų82.477%0.77145%0.446SS*.Hα-helixtrans-63.8-42.3177.4-65.3170.2-16600113.1P343 I347 L348 K349P343-E345 PolarHBondContact O-N 2.69Å; E345-I347 VanDerWaalsContact C-N 3.35Å; E345-L348 PolarHBondContact O-N 3.34Å; E345-K349 WeakPolarHBondContact O-CB 3.36Å; E345-K349 PolarHBondContact O-N 3.32Å
346V90.8Very high88.4Confident50 Ų5084 Ų8430%0.30345%0.454SS..Hα-helixtrans-68.5-37.2178.4179.80000110.9L342 P343 R350L342-V346 HydrophobicContact CD2-CG1 4.22Å; P343-V346 HydrophobicContact CB-CG2 4.15Å; P343-V346 HydrophobicContact CG-CG2 4.13Å; P343-V346 PolarHBondContact O-N 2.97Å; V346-R350 WeakPolarHBondContact O-CG 3.45Å; V346-R350 PolarHBondContact O-N 2.95Å
347I91.2Very high88.6Confident3 Ų380 Ų802%0.01543%0.432CS..Hα-helixtrans-60.7-51.3172.5-66.2171.9000109.8F325 L328 Q329 I332 L342 P343 K344 E345 K349 R350 A351F325-I347 HydrophobicContact CD1-CB 4.3Å; F325-I347 HydrophobicContact CD1-CD1 4.21Å; F325-I347 HydrophobicContact CD1-CG2 3.92Å; F325-I347 HydrophobicContact CE1-CB 4.41Å; F325-I347 HydrophobicContact CE1-CG2 4.26Å; L328-I347 HydrophobicContact CB-CG2 3.49Å; L328-I347 VanDerWaalsContact CB-CG2 3.49Å; L328-I347 HydrophobicContact CD1-CG2 4.12Å; L328-I347 HydrophobicContact CG-CG2 4.44Å; Q329-I347 HydrophobicContact CB-CD1 4.2Å; Q329-I347 HydrophobicContact CG-CD1 4.46Å; I332-I347 HydrophobicContact CD1-CB 4.23Å; I332-I347 HydrophobicContact CD1-CG2 3.61Å; I332-I347 WeakPolarHBondContact CD1-O 3.45Å; L342-I347 HydrophobicContact CB-CD1 4.07Å; L342-I347 HydrophobicContact CB-CG1 3.75Å; P343-I347 WeakPolarHBondContact O-CG1 3.48Å; P343-I347 PolarHBondContact O-N 3.48Å; K344-I347 PolarHBondContact O-N 3.47Å; E345-I347 VanDerWaalsContact C-N 3.35Å; I347-K349 PolarHBondContact O-N 2.87Å; I347-R350 PolarHBondContact O-N 3.22Å; I347-A351 WeakPolarHBondContact O-CB 3.5Å; I347-A351 PolarHBondContact O-N 3.44Å
348L92.1Very high88.7Confident93 Ų9380 Ų8049%0.48741%0.412SS..Hα-helixtrans-63.3-42.2179.6-71.2176.7000112.6F325 L328 K344 E345 A351 A352F325-L348 HydrophobicContact CE1-CD1 4.34Å; F325-L348 HydrophobicContact CE1-CD2 4.2Å; F325-L348 HydrophobicContact CE1-CG 3.89Å; F325-L348 HydrophobicContact CZ-CD1 3.99Å; F325-L348 HydrophobicContact CZ-CD2 4.22Å; F325-L348 HydrophobicContact CZ-CG 4Å; L328-L348 HydrophobicContact CD1-CD2 4.3Å; K344-L348 PolarHBondContact O-N 2.93Å; E345-L348 PolarHBondContact O-N 3.34Å; L348-A351 PolarHBondContact O-N 3.45Å; L348-A352 PolarHBondContact O-N 3.05Å
349K92.2Very high88.5Confident139 Ų13987.5 Ų87.560%0.60444%0.439SS*.Hα-helixtrans-58.4-53.3177.4-177.1174.9178.4179.20111.5E345 I347 A351 A352 D353E345-K349 WeakPolarHBondContact O-CB 3.36Å; E345-K349 PolarHBondContact O-N 3.32Å; I347-K349 PolarHBondContact O-N 2.87Å; K349-A351 VanDerWaalsContact C-N 3.29Å; K349-A351 PolarHBondContact O-N 3.37Å; K349-A352 WeakPolarHBondContact O-CB 3.24Å; K349-A352 PolarHBondContact O-N 3.08Å; K349-A352 VanDerWaalsContact O-N 3.08Å; K349-D353 PolarHBondContact O-N 3.46Å
350R91.6Very high87.9Confident37 Ų3787.1 Ų87.114%0.1445%0.448CS..Hα-helixtrans-65-32.2179.6-68179.7-172.3177.39.2113.1I332 P333 H335 D338 V346 I347 L354I332-R350 HydrophobicContact CD1-CB 4.29Å; I332-R350 HydrophobicContact CG2-CB 3.59Å; I332-R350 HydrophobicContact CG2-CG 4.26Å; P333-R350 PolarHBondContact O-NH1 2.99Å; H335-R350 VanDerWaalsContact ND1-CZ 3.26Å; H335-R350 PolarHBondContact ND1-NH1 3.12Å; D338-R350 IonicContact OD1-CZ 3.53Å; D338-R350 IonicContact OD1-NH1 2.8Å; D338-R350 IonicContact OD1-NH2 2.75Å; D338-R350 PolarHBondContact OD1-NH2 3.04Å; D338-R350 IonicContact OD2-CZ 3.97Å; D338-R350 IonicContact OD2-NH1 2.74Å; D338-R350 PolarHBondContact OD2-NH1 3.05Å; D338-R350 IonicContact OD2-NH2 3.95Å; D338-R350 PolarHBondContact OD2-NH2 2.87Å; V346-R350 WeakPolarHBondContact O-CG 3.45Å; V346-R350 PolarHBondContact O-N 2.95Å; I347-R350 PolarHBondContact O-N 3.22Å; R350-L354 VanDerWaalsContact O-CG 3.26Å; R350-L354 WeakPolarHBondContact O-CG 3.47Å; R350-L354 PolarHBondContact O-N 3.12Å; R350-L354 VanDerWaalsContact O-N 3.08Å
351A91.9Very high87.4Confident19 Ų1984.5 Ų84.516%0.15744%0.437CS..Hα-helixtrans-64.1-42.2172.500000111.4L328 I332 I347 L348 K349 V355L328-A351 HydrophobicContact CD2-CB 4.15Å; I332-A351 HydrophobicContact CD1-CB 3.97Å; I347-A351 WeakPolarHBondContact O-CB 3.5Å; I347-A351 PolarHBondContact O-N 3.44Å; L348-A351 PolarHBondContact O-N 3.45Å; K349-A351 VanDerWaalsContact C-N 3.29Å; K349-A351 PolarHBondContact O-N 3.37Å; A351-V355 VanDerWaalsContact O-CG2 3.28Å; A351-V355 WeakPolarHBondContact O-CG2 3.22Å; A351-V355 PolarHBondContact O-N 3.03Å; A351-V355 VanDerWaalsContact O-N 3.12Å
352A92.2Very high86Confident45 Ų4580.7 Ų80.737%0.37244%0.438SS..Hα-helixtrans-64.1-49173.900000111.4L348 K349 L354 V355 E356L348-A352 PolarHBondContact O-N 3.05Å; K349-A352 WeakPolarHBondContact O-CB 3.24Å; K349-A352 PolarHBondContact O-N 3.08Å; K349-A352 VanDerWaalsContact O-N 3.08Å; A352-L354 VanDerWaalsContact C-N 3.26Å; A352-L354 PolarHBondContact O-N 3.14Å; A352-V355 PolarHBondContact O-N 3.15Å; A352-E356 PolarHBondContact O-N 2.75Å
353D90.9Very high84.3Confident79 Ų7985.9 Ų85.942%0.42246%0.462SS..Hα-helixtrans-53.6-42.1178.2-57.3-31.1000111.7K349 A357K349-D353 PolarHBondContact O-N 3.46Å; D353-A357 WeakPolarHBondContact O-CB 3.5Å; D353-A357 PolarHBondContact O-N 3.34Å; D353-A357 VanDerWaalsContact O-N 3.08Å
354L89.3Confident82.5Confident71 Ų7190 Ų9037%0.37248%0.481SS..Hα-helixtrans-66.7-41.3175.5-73169.5000113.1I332 P333 R350 A352 A357 L358I332-L354 HydrophobicContact CG1-CD1 4.31Å; P333-L354 HydrophobicContact CG-CD2 4.43Å; R350-L354 VanDerWaalsContact O-CG 3.26Å; R350-L354 WeakPolarHBondContact O-CG 3.47Å; R350-L354 PolarHBondContact O-N 3.12Å; R350-L354 VanDerWaalsContact O-N 3.08Å; A352-L354 VanDerWaalsContact C-N 3.26Å; A352-L354 PolarHBondContact O-N 3.14Å; L354-A357 PolarHBondContact O-N 3.33Å; L354-L358 WeakPolarHBondContact O-CG 3.45Å; L354-L358 PolarHBondContact O-N 3.45Å
355V89.4Confident81Confident72 Ų7291.5 Ų91.544%0.43649%0.492SS..Hα-helixtrans-70.1-41.3-179.81700000110.7A351 A352 A357 L358 Y359A351-V355 VanDerWaalsContact O-CG2 3.28Å; A351-V355 WeakPolarHBondContact O-CG2 3.22Å; A351-V355 PolarHBondContact O-N 3.03Å; A351-V355 VanDerWaalsContact O-N 3.12Å; A352-V355 PolarHBondContact O-N 3.15Å; V355-A357 VanDerWaalsContact C-N 3.33Å; V355-A357 PolarHBondContact O-N 2.94Å; V355-L358 WeakPolarHBondContact O-CB 3.23Å; V355-L358 PolarHBondContact O-N 3.15Å; V355-Y359 HydrophobicContact CG1-CD2 3.72Å; V355-Y359 HydrophobicContact CG1-CE2 3.66Å; V355-Y359 VanDerWaalsContact O-CD2 3.28Å; V355-Y359 WeakPolarHBondContact O-CD2 3.26Å; V355-Y359 PolarHBondContact O-N 2.71Å
356E88.2Confident79.5Confident139 Ų13990 Ų9065%0.6549%0.485SS*.Hα-helixtrans-60-43.1172.7-72.4-175.4-174.500111.4A352 L358 Y359 G360A352-E356 PolarHBondContact O-N 2.75Å; E356-L358 VanDerWaalsContact C-N 3.34Å; E356-L358 PolarHBondContact O-N 2.89Å; E356-Y359 PolarHBondContact O-N 2.85Å; E356-G360 PolarHBondContact O-N 3.04Å
357A88.1Confident78.1Confident55 Ų5595.7 Ų95.746%0.45551%0.508SS..Hα-helixtrans-60.2-40.8174.300000112.6D353 L354 V355 G360 M361D353-A357 WeakPolarHBondContact O-CB 3.5Å; D353-A357 PolarHBondContact O-N 3.34Å; D353-A357 VanDerWaalsContact O-N 3.08Å; L354-A357 PolarHBondContact O-N 3.33Å; V355-A357 VanDerWaalsContact C-N 3.33Å; V355-A357 PolarHBondContact O-N 2.94Å; A357-G360 PolarHBondContact O-N 3.08Å; A357-M361 WeakPolarHBondContact O-CG 3.21Å; A357-M361 VanDerWaalsContact O-SD 3.37Å
358L85.2Confident76.7Confident86 Ų8699.7 Ų99.745%0.4553%0.529SS..Hα-helixtrans-64.6-37.9176.8-72.6169000112.9L354 V355 E356L354-L358 WeakPolarHBondContact O-CG 3.45Å; L354-L358 PolarHBondContact O-N 3.45Å; V355-L358 WeakPolarHBondContact O-CB 3.23Å; V355-L358 PolarHBondContact O-N 3.15Å; E356-L358 VanDerWaalsContact C-N 3.34Å; E356-L358 PolarHBondContact O-N 2.89Å
359Y82.4Confident75.3Confident188 Ų18899 Ų9974%0.73753%0.525SS*.Hα-helixtrans-82.3-25.1177.9-76.6-69.2000113.9V355 E356 M361V355-Y359 HydrophobicContact CG1-CD2 3.72Å; V355-Y359 HydrophobicContact CG1-CE2 3.66Å; V355-Y359 VanDerWaalsContact O-CD2 3.28Å; V355-Y359 WeakPolarHBondContact O-CD2 3.26Å; V355-Y359 PolarHBondContact O-N 2.71Å; E356-Y359 PolarHBondContact O-N 2.85Å; Y359-M361 VanDerWaalsContact C-N 3.35Å; Y359-M361 PolarHBondContact O-N 3.14Å
360G74.8Confident74.1Confident64 Ų6498.3 Ų98.366%0.6653%0.527SS*.Hα-helixtrans-78.4-10.6-179.100000115.5E356 A357E356-G360 PolarHBondContact O-N 3.04Å; A357-G360 PolarHBondContact O-N 3.08Å
361M69.4Low72.9Confident117 Ų117103.4 Ų103.458%0.57655%0.55SS**SBendtrans-79.6128-177.4-72.8160.273.700111.7A357 Y359 H363A357-M361 WeakPolarHBondContact O-CG 3.21Å; A357-M361 VanDerWaalsContact O-SD 3.37Å; Y359-M361 VanDerWaalsContact C-N 3.35Å; Y359-M361 PolarHBondContact O-N 3.14Å; M361-H363 PolarHBondContact O-N 2.84Å; M361-H363 PolarHBondContact O-ND1 3.47Å
362P54.7Low71.8Confident123 Ų123110.2 Ų110.280%0.79957%0.572SS**  trans-62.1131.3-17824.5-33.3000111N364P362-N364 PolarHBondContact O-N 3.27Å
363H50.1Low70.7Confident119 Ų119110.8 Ų110.855%0.55158%0.577SS**SBendtrans-7398.7-167.6-69.821.5000112.5M361M361-H363 PolarHBondContact O-N 2.84Å; M361-H363 PolarHBondContact O-ND1 3.47Å
364N51.9Low69.7Low155 Ų155109.6 Ų109.683%0.82958%0.578SS**SBendtrans-126.98168.7-102.4-9.8000113.9P362P362-N364 PolarHBondContact O-N 3.27Å
365N55.6Low68.9Low102 Ų102110.2 Ų110.255%0.54558%0.582SS.*  trans-151.161.4-178.2-85.6-47.3000112.5E367 I368 I369N365-E367 VanDerWaalsContact C-N 3.29Å; N365-E367 PolarHBondContact O-N 3.06Å; N365-I368 HydrophobicContact CB-CB 4.25Å; N365-I368 HydrophobicContact CB-CD1 4.06Å; N365-I368 HydrophobicContact CB-CG1 4.26Å; N365-I368 PolarHBondContact O-N 3.19Å; N365-I369 PolarHBondContact O-N 3.47Å
366Q58.2Low68.1Low135 Ų135111 Ų11163%0.63158%0.583SS**Hα-helixtrans-57.7-37.9-178.1-76-178.3-28.300113.1I368 I369 L370Q366-I368 PolarHBondContact O-N 3.06Å; Q366-I369 PolarHBondContact O-N 3.45Å; Q366-L370 WeakPolarHBondContact O-CB 3.44Å; Q366-L370 PolarHBondContact O-N 3.42Å
367E60.7Low67.2Low168 Ų168106.3 Ų106.379%0.78557%0.568SS**Hα-helixtrans-63.7-37.1179.1-64-172.2143.300113.4N365 K371N365-E367 VanDerWaalsContact C-N 3.29Å; N365-E367 PolarHBondContact O-N 3.06Å; E367-K371 VanDerWaalsContact O-CB 3.27Å; E367-K371 WeakPolarHBondContact O-CB 3.39Å; E367-K371 PolarHBondContact O-N 3.08Å
368I62.9Low66.2Low87 Ų87110.4 Ų110.445%0.44658%0.577SS.*Hα-helixtrans-71.9-35.4-179.4-59.7-179.6000110.8N365 Q366 R372N365-I368 HydrophobicContact CB-CB 4.25Å; N365-I368 HydrophobicContact CB-CD1 4.06Å; N365-I368 HydrophobicContact CB-CG1 4.26Å; N365-I368 PolarHBondContact O-N 3.19Å; Q366-I368 PolarHBondContact O-N 3.06Å; I368-R372 WeakPolarHBondContact O-CB 3.26Å; I368-R372 PolarHBondContact O-N 3.34Å
369I62.4Low65.4Low78 Ų78109.5 Ų109.540%0.458%0.582SS.*Hα-helixtrans-71.7-44.5177.2-61.5173.2000110.2N365 Q366 K371 R372 A373N365-I369 PolarHBondContact O-N 3.47Å; Q366-I369 PolarHBondContact O-N 3.45Å; I369-K371 VanDerWaalsContact C-N 3.32Å; I369-K371 PolarHBondContact O-N 2.83Å; I369-R372 PolarHBondContact O-N 3.5Å; I369-A373 WeakPolarHBondContact O-CB 3.34Å; I369-A373 PolarHBondContact O-N 2.68Å
370L67Low64.5Low126 Ų126102.8 Ų102.866%0.6656%0.559SS**Hα-helixtrans-58.8-42.9173.1-86.3155.5000111.8Q366 A373 A374Q366-L370 WeakPolarHBondContact O-CB 3.44Å; Q366-L370 PolarHBondContact O-N 3.42Å; L370-A373 PolarHBondContact O-N 3.24Å; L370-A374 WeakPolarHBondContact O-CB 3.5Å; L370-A374 PolarHBondContact O-N 3.19Å
371K66.2Low63.8Low144 Ų144109 Ų10963%0.62656%0.564SS**Hα-helixtrans-65.6-48.8177.1-168.3169-176.8174.90112.3E367 I369 A373 A374 D375E367-K371 VanDerWaalsContact O-CB 3.27Å; E367-K371 WeakPolarHBondContact O-CB 3.39Å; E367-K371 PolarHBondContact O-N 3.08Å; I369-K371 VanDerWaalsContact C-N 3.32Å; I369-K371 PolarHBondContact O-N 2.83Å; K371-A373 VanDerWaalsContact C-N 3.32Å; K371-A373 PolarHBondContact O-N 3.06Å; K371-A374 WeakPolarHBondContact O-CB 3.22Å; K371-A374 PolarHBondContact O-N 2.78Å; K371-A374 VanDerWaalsContact O-N 3.15Å; K371-D375 PolarHBondContact O-N 3.44Å
372R69.5Low62.9Low161 Ų161106.9 Ų106.961%0.60856%0.56SS**Hα-helixtrans-62.6-36.2174.5-87.2-174.1176.51570.6113.3I368 I369 A374 D375 I376I368-R372 WeakPolarHBondContact O-CB 3.26Å; I368-R372 PolarHBondContact O-N 3.34Å; I369-R372 PolarHBondContact O-N 3.5Å; R372-A374 VanDerWaalsContact C-N 3.32Å; R372-D375 PolarHBondContact O-N 2.71Å; R372-I376 WeakPolarHBondContact O-CB 3.26Å; R372-I376 WeakPolarHBondContact O-CD1 3.21Å; R372-I376 WeakPolarHBondContact O-CG1 3.49Å; R372-I376 PolarHBondContact O-N 3.42Å
373A67.5Low62.5Low58 Ų58106.9 Ų106.948%0.47956%0.558SS.*Hα-helixtrans-66.4-36.9175.600000111.3I369 L370 K371 A377I369-A373 WeakPolarHBondContact O-CB 3.34Å; I369-A373 PolarHBondContact O-N 2.68Å; L370-A373 PolarHBondContact O-N 3.24Å; K371-A373 VanDerWaalsContact C-N 3.32Å; K371-A373 PolarHBondContact O-N 3.06Å; A373-A377 WeakPolarHBondContact O-CB 3.2Å; A373-A377 PolarHBondContact O-N 3.17Å
374A70.6Confident62.3Low54 Ų54106.4 Ų106.445%0.44657%0.565SS.*Hα-helixtrans-67.1-46.1171.300000112.1L370 K371 R372 I376 A377 E378L370-A374 WeakPolarHBondContact O-CB 3.5Å; L370-A374 PolarHBondContact O-N 3.19Å; K371-A374 WeakPolarHBondContact O-CB 3.22Å; K371-A374 PolarHBondContact O-N 2.78Å; K371-A374 VanDerWaalsContact O-N 3.15Å; R372-A374 VanDerWaalsContact C-N 3.32Å; A374-I376 VanDerWaalsContact C-N 3.33Å; A374-I376 PolarHBondContact O-N 3.44Å; A374-A377 CarbonylContact O-C 3.5Å; A374-A377 WeakPolarHBondContact O-CA 3.45Å; A374-A377 WeakPolarHBondContact O-CB 3.33Å; A374-A377 PolarHBondContact O-N 3.02Å; A374-E378 PolarHBondContact O-N 3.39Å
375D72.2Confident61.6Low84 Ų84110.7 Ų110.745%0.44957%0.57SS.*Hα-helixtrans-60.6-42.4177.4-60.1-30.6000111.3K371 R372 E378 A379K371-D375 PolarHBondContact O-N 3.44Å; R372-D375 PolarHBondContact O-N 2.71Å; D375-E378 PolarHBondContact O-N 2.82Å; D375-A379 PolarHBondContact O-N 2.95Å
376I72Confident60.5Low88 Ų88113.1 Ų113.145%0.45158%0.583SS.*Hα-helixtrans-68.2-36.6174-67.2166.1000110.4R372 A374 L380R372-I376 WeakPolarHBondContact O-CB 3.26Å; R372-I376 WeakPolarHBondContact O-CD1 3.21Å; R372-I376 WeakPolarHBondContact O-CG1 3.49Å; R372-I376 PolarHBondContact O-N 3.42Å; A374-I376 VanDerWaalsContact C-N 3.33Å; A374-I376 PolarHBondContact O-N 3.44Å; I376-L380 HydrophobicContact CG2-CD1 4.08Å; I376-L380 HydrophobicContact CG2-CG 4.29Å; I376-L380 VanDerWaalsContact O-CA 3.23Å; I376-L380 WeakPolarHBondContact O-CA 3.45Å; I376-L380 WeakPolarHBondContact O-CB 3.49Å; I376-L380 VanDerWaalsContact O-CG 3.24Å; I376-L380 WeakPolarHBondContact O-CG 3.37Å; I376-L380 PolarHBondContact O-N 2.82Å
377A69.4Low59.5Low41 Ų41114.4 Ų114.434%0.33959%0.588SS.*Hα-helixtrans-68.8-31.7174.200000113A373 A374 L380 Y381A373-A377 WeakPolarHBondContact O-CB 3.2Å; A373-A377 PolarHBondContact O-N 3.17Å; A374-A377 CarbonylContact O-C 3.5Å; A374-A377 WeakPolarHBondContact O-CA 3.45Å; A374-A377 WeakPolarHBondContact O-CB 3.33Å; A374-A377 PolarHBondContact O-N 3.02Å; A377-L380 CarbonylContact O-C 3.56Å; A377-L380 VanDerWaalsContact O-CA 3.26Å; A377-L380 WeakPolarHBondContact O-CA 3.32Å; A377-Y381 WeakPolarHBondContact O-CD2 3.46Å; A377-Y381 PolarHBondContact O-N 3.42Å
378E68.3Low58.2Low141 Ų141113 Ų11366%0.65959%0.586SS**Hα-helixtrans-71.1-46.8171.7-82.5-151.3137.400112.1A374 D375 L380 Y381 S382A374-E378 PolarHBondContact O-N 3.39Å; D375-E378 PolarHBondContact O-N 2.82Å; E378-L380 VanDerWaalsContact C-N 3.28Å; E378-L380 PolarHBondContact O-N 3.06Å; E378-Y381 PolarHBondContact O-N 2.99Å; E378-Y381 VanDerWaalsContact O-N 3.15Å; E378-S382 WeakPolarHBondContact O-CB 3.44Å; E378-S382 PolarHBondContact O-N 3.48Å; E378-S382 PolarHBondContact O-OG 2.87Å
379A67.8Low57.1Low66 Ų66117.3 Ų117.355%0.54560%0.604SS.*Hα-helixtrans-62.3-40.7174.900000111.6D375D375-A379 PolarHBondContact O-N 2.95Å
380L62.9Low55.8Low47 Ų47121.3 Ų121.325%0.24663%0.626CS.*Hα-helixtrans-15.7-90.6142.32.9154.3000116.1R327 I376 A377 E378R327-L380 HydrophobicContact CB-CD2 4.09Å; R327-L380 HydrophobicContact CG-CD2 4.46Å; R327-L380 PolarHBondContact NE-O 2.87Å; R327-L380 PolarHBondContact NH1-O 3.44Å; I376-L380 HydrophobicContact CG2-CD1 4.08Å; I376-L380 HydrophobicContact CG2-CG 4.29Å; I376-L380 VanDerWaalsContact O-CA 3.23Å; I376-L380 WeakPolarHBondContact O-CA 3.45Å; I376-L380 WeakPolarHBondContact O-CB 3.49Å; I376-L380 VanDerWaalsContact O-CG 3.24Å; I376-L380 WeakPolarHBondContact O-CG 3.37Å; I376-L380 PolarHBondContact O-N 2.82Å; A377-L380 CarbonylContact O-C 3.56Å; A377-L380 VanDerWaalsContact O-CA 3.26Å; A377-L380 WeakPolarHBondContact O-CA 3.32Å; E378-L380 VanDerWaalsContact C-N 3.28Å; E378-L380 PolarHBondContact O-N 3.06Å
381Y61.1Low54.6Low196 Ų196120.7 Ų120.777%0.76963%0.63SS**Hα-helixtrans-85.7-6.1-167.9-70.7-70.7000115.5A377 E378 V383A377-Y381 WeakPolarHBondContact O-CD2 3.46Å; A377-Y381 PolarHBondContact O-N 3.42Å; E378-Y381 PolarHBondContact O-N 2.99Å; E378-Y381 VanDerWaalsContact O-N 3.15Å; Y381-V383 PolarHBondContact O-N 3.39Å; Y381-V383 VanDerWaalsContact O-N 3.14Å
382S49.8Very low53Low72 Ų72118.2 Ų118.250%0.50364%0.636SS.*  trans-69.8108.3-178.5-69.50000113E378E378-S382 WeakPolarHBondContact O-CB 3.44Å; E378-S382 PolarHBondContact O-N 3.48Å; E378-S382 PolarHBondContact O-OG 2.87Å
383V47.4Very low51.6Low123 Ų123119.4 Ų119.475%0.74565%0.653SS**  trans-63.2130.9169.7-179.30000109.4Y381 R385Y381-V383 PolarHBondContact O-N 3.39Å; Y381-V383 VanDerWaalsContact O-N 3.14Å; V383-R385 PolarHBondContact O-N 3.42Å
384P44Very low50Low109 Ų109120.4 Ų120.471%0.70866%0.662SS**  trans-69.2107.6-175.527-34.1000111.6
385R38.1Very low48.3Very low245 Ų245124.7 Ų124.793%0.92568%0.677SS**  trans-77.7132.6163.3-103.4-177.2171.4138-1.9109.7V383V383-R385 PolarHBondContact O-N 3.42Å
386N32.3Very low46.5Very low152 Ų152126.5 Ų126.581%0.81369%0.691SS**  trans-66.9132.9179.8-167.2-3.9000110.6
387H36.5Very low44.8Very low163 Ų163127.5 Ų127.576%0.75571%0.706SS**  trans-136.295.5174.7-16565.3000111.1
388N34Very low43.3Very low138 Ų138131.7 Ų131.774%0.73873%0.727SS**  trans-102.2153.5158.7-98.8-21.7000108.2
389Q40.1Very low41.7Very low177 Ų177133.5 Ų133.583%0.82774%0.735SS**  trans92.787173.8-53.5-179-200117.5
390L36.1Very low40.3Very low162 Ų162134.5 Ų134.585%0.84874%0.744SS**  trans-62.1174.9143.1-79162000110.9
391P40.4Very low39.2Very low114 Ų114136 Ų13674%0.7477%0.77SS**  cis-143.3168.918.241.3-21.3000119.5
392A33.9Very low38.3Very low92 Ų92135.1 Ų135.176%0.7678%0.775SS**  trans34.9134.7140.900000123.8
393L39.2Very low37.9Very low185 Ų185140.2 Ų140.297%0.96979%0.793SS**  trans-142.5151149.6-106152.9000109.4
394A33.5Very low37.5Very low80 Ų80137.7 Ų137.766%0.66179%0.792SS**  trans-122.5158.2-160.500000114.1
395N36.1Very low37.2Very low143 Ų143138.9 Ų138.977%0.76580%0.797SS**  156.1122.2125.6-87.7-6000114.7
396T34.1Very low36.9Very low123 Ų123134.3 Ų134.376%0.75579%0.791SS**  trans36.8137.1134.164.50000120.5
397S36.8Very low37.1Very low108 Ų108131.8 Ų131.876%0.75579%0.785SS**  -167.2165.15550.50000116.2
398V36.9Very low37.1Very low129 Ų129133.1 Ų133.178%0.78279%0.789SS**  trans-23.4158.2170.9-660000119.8
399H35.1Very low37.2Very low180 Ų180131.8 Ų131.883%0.83379%0.79SS**  cis-140.9-159.839.7-153.5-107.5000116.1
400A37.4Very low37.5Very low87 Ų87127.2 Ų127.272%0.71979%0.79SS**  trans-149162.9-152.200000115.7
401G40.3Very low37.6Very low77 Ų77128.4 Ų128.479%0.79479%0.792SS**  trans119.6147.1163.100000115.5
402M42.4Very low37.6Very low178 Ų178131.3 Ų131.388%0.87780%0.8SS**  cis-166.9129.4-6.3179.3168.6165.200111.5
403M41Very low37.5Very low180 Ų180131.2 Ų131.289%0.88780%0.8SS**  trans42.9139.6151.6-55.6-70.9-92.600123.4
404G39.1Very low37.7Very low70 Ų70129.5 Ų129.572%0.72280%0.796SS**  trans147.676.7142.800000122.4
405V37.9Very low37.7Very low133 Ų133132.5 Ų132.581%0.80680%0.801SS**  trans30.1121.7142.9-65.90000124.8
406N32.7Very low37.6Very low150 Ų150131.2 Ų131.280%0.80280%0.798SS**  59.5123127.9-68.64.2000125.8
407S35.3Very low37.7Very low98 Ų98131.5 Ų131.569%0.68581%0.805SS**  104.5146.1127.3-68.10000123.2
408F37.4Very low37.4Very low192 Ų192135.3 Ų135.384%0.84281%0.811SS**  trans91.194.9162-69.3-72.9000122.1
409S36.3Very low37.3Very low109 Ų109133.4 Ų133.476%0.76281%0.809SS**  37128.7126.263.60000122.5
410G46.4Very low37.3Very low81 Ų81129.6 Ų129.684%0.83580%0.802SS**  trans-142.811315100000110.6
411Q37.3Very low37.1Very low188 Ų188134.4 Ų134.488%0.87981%0.81SS**  trans-80.7155.4174.9-67.6178.2-26.700111
412L40.4Very low36.7Very low174 Ų174134.7 Ų134.791%0.91181%0.805SS**  -157.6121.7130-106171.1000109.1
413A33Very low36.3Very low91 Ų91131.9 Ų131.975%0.75280%0.798SS**  trans-129.1144.4175.900000108.9
414V43.1Very low36Very low148 Ų148129.5 Ų129.590%0.89779%0.789SS**  trans-135.2134.2162.7-177.70000107.1
415N33.1Very low35.8Very low144 Ų144134.7 Ų134.777%0.7779%0.794SS**  trans-128.4144.9-166-149.126.3000110.2
416V33.6Very low35.4Very low115 Ų115131.5 Ų131.570%0.69779%0.788SS**  trans40.7123.9152.1-179.90000119.9
417S37.4Very low35.5Very low129 Ų129134.3 Ų134.390%0.90279%0.794SS**  trans-159.4147.5135.6-80.60000111.7
418E29.2Very low35.3Very low189 Ų189135.9 Ų135.988%0.88380%0.8SS**  trans-120.5136.1-166.5171.5-176.8-176.800110
419A35.6Very low35.3Very low88 Ų88139.1 Ų139.173%0.72781%0.806SS**  trans-174.4103.816200000114.7
420S34.7Very low35.1Very low100 Ų100141.1 Ų141.170%0.69981%0.808SS**  trans38.2129.5131.957.20000124.4
421Q33.2Very low34.5Very low188 Ų188142.1 Ų142.188%0.87980%0.803SS**  trans86.1111.2130.9-74.3178.46.600122.6
422A32.9Very low34.3Very low84 Ų84137.7 Ų137.769%0.69479%0.792SS**  100.8124.9117.600000121.9
423T33Very low34.2Very low118 Ų118135.3 Ų135.372%0.72479%0.79SS**  trans76.9115.6144.9290000122.8
424N34Very low34.4Very low130 Ų130136.9 Ų136.970%0.69579%0.79SS**  81.2131129.8-78.3-16.7000122.2
425Q36Very low33.9Very low179 Ų179135 Ų13584%0.83678%0.784SS**  trans65.4122.9153.2-58.8163.535.400116
426G29.3Very low34.2Very low66 Ų66132.9 Ų132.968%0.6878%0.778SS**  cis123.983.88.100000111.1
427F33.8Very low34.4Very low209 Ų209136.7 Ų136.792%0.91779%0.788SS**  trans-145.1126.6170.9-83.8-71.2000113.1
428T30.8Very low34.2Very low132 Ų132133.6 Ų133.681%0.8178%0.776SS**  trans-83.7142.2171.649.60000111.8
429R37.5Very low34.4Very low260 Ų260136.1 Ų136.198%0.98178%0.779SS**  trans-154.2156.8152.4-108.6164.4-156.6-144.64.9111.8
430N32.2Very low34.2Very low151 Ų151138.4 Ų138.481%0.80778%0.783SS**  trans-119.6140.4-156.1169.165000111.5
431S34.3Very low34.3Very low102 Ų102139.1 Ų139.171%0.71379%0.786SS**  trans-174.6114.1139.6-1390000115.6
432S33Very low34.3Very low95 Ų95135.5 Ų135.566%0.66478%0.781SS**  trans28121.6134.462.50000123.5
433S38Very low34.4Very low123 Ų123138.1 Ų138.186%0.8679%0.789SS**  trans-150.9165.8138.667.40000110.4
434V38Very low34.7Very low124 Ų124138.2 Ų138.275%0.75279%0.789SS**  trans-136128.5-143.3170.10000115.9
435S33.1Very low34.9Very low109 Ų109138 Ų13876%0.76280%0.795SS**  trans66.8170.3149.9-690000121.5
436P38.6Very low34.9Very low100 Ų100139 Ų13965%0.64980%0.8SS**  cis-133.9175.7-10.124.8-0.8000117.5
437H36.9Very low35.3Very low195 Ų195144.2 Ų144.290%0.90381%0.806SS**  trans72.1138166.2-57-68.4000118.7
438G33.4Very low35.3Very low63 Ų63140.2 Ų140.265%0.64980%0.799SS**  cis-171.4169.4-300000114
439Y33.7Very low35.4Very low242 Ų242141 Ų14195%0.94980%0.799SS**  trans65.9101.1-179.8-68.2-78.9000118.6
440V31.6Very low35.2Very low136 Ų136139.2 Ų139.282%0.82479%0.793SS**  trans-115.8125.5164.8177.80000109
441P36.5Very low35.3Very low115 Ų115139.4 Ų139.475%0.74779%0.794SS**  trans-78.6123.8164.531.3-29.9000109.3T443P441-T443 PolarHBondContact O-N 2.85Å; P441-T443 VanDerWaalsContact O-N 3.12Å
442S34.1Very low35.4Very low112 Ų112139.9 Ų139.978%0.78380%0.798SS**  trans-68.9108.4-177.147.40000112.2
443T35.3Very low35.5Very low139 Ų139141 Ų14185%0.85380%0.8SS**PPolyproline II helixtrans-79.8119.5165.144.40000109.4P441P441-T443 PolarHBondContact O-N 2.85Å; P441-T443 VanDerWaalsContact O-N 3.12Å
444T39.7Very low35.4Very low121 Ų121141.4 Ų141.474%0.74280%0.798SS**PPolyproline II helixtrans-98.8150.2165.339.50000109.6Q446T444-Q446 PolarHBondContact O-N 2.8Å
445P36.8Very low35.3Very low125 Ų125141 Ų14181%0.81280%0.795SS**PPolyproline II helixtrans-70.3123.6-168.4-16.731000111.6Q447P445-Q447 PolarHBondContact O-N 3.15Å
446Q35.6Very low35.7Very low200 Ų200141.5 Ų141.594%0.93580%0.799SS**  trans-72.199.3170.9-73.8-168.3-300110.5T444T444-Q446 PolarHBondContact O-N 2.8Å
447Q38.2Very low35.7Very low176 Ų176145.1 Ų145.182%0.82281%0.809SS**  trans-85.7110.1158.6-83.2-169-18.800110.3P445P445-Q447 PolarHBondContact O-N 3.15Å
448T34.2Very low35.7Very low125 Ų125143.3 Ų143.377%0.76781%0.806SS**  trans21.6106143.750.80000117.6
449N33.9Very low35.7Very low149 Ų149144 Ų14480%0.79781%0.814SS**  trans-154.4147.2143.1-118.5-33.8000114.9
450Y31.6Very low35.6Very low221 Ų221144 Ų14487%0.86781%0.814SS**  trans-55.1129.6-170.3-69.4-103000115.2S452Y450-S452 PolarHBondContact O-N 3.35Å
451N34.3Very low35.8Very low155 Ų155141.2 Ų141.283%0.82981%0.813SS**  trans-71.4118.6162.4-85.6-21.1000110.3
452S36.5Very low35.7Very low112 Ų112141.9 Ų141.978%0.78382%0.82SS**  trans-92.7110.2158.364.50000109.1Y450 T454Y450-S452 PolarHBondContact O-N 3.35Å; S452-T454 PolarHBondContact O-N 3.03Å
453V35.8Very low35.8Very low119 Ų119140.8 Ų140.872%0.72182%0.818SS**  trans-70.9118173.2179.10000109T455V453-T455 HydrophobicContact CG1-CG2 4.31Å; V453-T455 PolarHBondContact O-N 3.36Å
454T35.2Very low35.8Very low131 Ų131138.7 Ų138.780%0.80482%0.815SS**  trans-74.7102169.70.40000109.3S452 S456S452-T454 PolarHBondContact O-N 3.03Å; T454-S456 PolarHBondContact O-N 3.39Å
455T36.9Very low35.8Very low115 Ų115141.5 Ų141.571%0.70682%0.822SS**  trans-85.8102.2169.743.70000110.5V453 M457V453-T455 HydrophobicContact CG1-CG2 4.31Å; V453-T455 PolarHBondContact O-N 3.36Å; T455-M457 PolarHBondContact O-N 3.43Å
456S41.4Very low35.8Very low120 Ų120140.4 Ų140.484%0.83982%0.817SS**  trans-75.2103.7157.138.10000108.5T454T454-S456 PolarHBondContact O-N 3.39Å
457M37.5Very low35.8Very low176 Ų176137.9 Ų137.987%0.86781%0.81SS**PPolyproline II helixtrans-70.9129.2171.6-85.3179.3152.500110.3T455T455-M457 PolarHBondContact O-N 3.43Å
458N37.4Very low35.9Very low157 Ų157136.9 Ų136.984%0.8481%0.81SS**PPolyproline II helixtrans-65.5131.4159.9-84.8-7.7000109.4
459G33.7Very low35.9Very low79 Ų79135 Ų13581%0.81481%0.814SS**PPolyproline II helixtrans-76136.9164.900000110.7
460Y31.3Very low36Very low241 Ų241131.7 Ų131.795%0.94582%0.816SS**PPolyproline II helixtrans-77.9131.9169.8-88.3-101.9000110.4
461G36.2Very low36.2Very low77 Ų77127 Ų12779%0.79482%0.815SS**  trans-145.8124.4164.500000108.3
462S33.4Very low36.9Very low130 Ų130124.8 Ų124.891%0.90981%0.809SS**  trans-113.6121.3-168.1-176.30000112.4
463A36.8Very low36.9Very low88 Ų88124.9 Ų124.973%0.72781%0.806SS**  trans-160.4124.1156.900000105.3
464A36.1Very low37Very low96 Ų96128.4 Ų128.479%0.79381%0.811SS**  50.1118.768.800000111.6
465M38.8Very low37.2Very low179 Ų179129.7 Ų129.788%0.88281%0.813SS**  cis-160.4173.99.5-145.2-179.5-175.900111.3
466S36.9Very low37.1Very low103 Ų103131.7 Ų131.772%0.7282%0.819SS**  trans61.8109.5151.858.40000123
467N36.6Very low36.9Very low146 Ų146129.5 Ų129.578%0.78182%0.815SS**  60.4129.1124-84.65000125.3
468L38.4Very low36.8Very low156 Ų156127 Ų12782%0.81782%0.815SS**  trans66.4102.2134.2-64.4167000120.6
469G35.4Very low36.8Very low84 Ų84124.7 Ų124.787%0.86682%0.818SS**  64.1133109.300000121.2
470G36.2Very low37Very low80 Ų80125.1 Ų125.183%0.82581%0.814SS**  trans123.6139.9161.200000114.6
471S35.5Very low37.4Very low122 Ų122121.9 Ų121.985%0.85381%0.813SS**  trans-91.7-171.1-175.1-44.70000111.8
472P48Very low37.3Very low109 Ų109123.5 Ų123.571%0.70881%0.812SS**  -112.7177.9-116.731.9-12.1000114
473T37Very low37.9Very low115 Ų115122.8 Ų122.871%0.70680%0.804SS**  trans144.4130.7136.149.90000115.9
474F39.1Very low38Very low192 Ų192129.4 Ų129.484%0.84281%0.812SS**  trans55.1146.9148.1-58.6-56.9000124.5
475L38.1Very low37.8Very low159 Ų159128.9 Ų128.983%0.83281%0.808SS**  trans86.693.5158-67.4155.3000120.6
476N36.3Very low38.2Very low157 Ų157128.2 Ų128.284%0.8481%0.806SS**  46.2120.7113.8-166.335.7000120.5
477G35.6Very low38.4Very low74 Ų74129.8 Ų129.876%0.76381%0.811SS**  trans170.1111.616300000113.9
478S35.1Very low38.9Very low123 Ų123128.2 Ų128.286%0.8681%0.809SS**  trans-105.7136.5178.5-56.10000111.7
479A37.3Very low39.1Very low108 Ų108126.6 Ų126.689%0.89381%0.811SS**  trans-166.3150.3153.600000111.3
480A38.7Very low39.1Very low89 Ų89128.1 Ų128.174%0.73681%0.808SS**  trans-97.3163.7-177.500000113
481N39.4Very low39.7Very low173 Ų173130.6 Ų130.693%0.92581%0.81SS**  trans-174.8153.2132.5-96.1-19.3000112.7
482S34.4Very low39.8Very low110 Ų110131 Ų13177%0.76981%0.807SS**  trans-146.3140.9175.8600000110.5
483P45.7Very low39.5Very low116 Ų116134.4 Ų134.475%0.75382%0.816SS**  trans-119.4129-179.736.5-24000116.6
484Y38.7Very low39.5Very low226 Ų226132.9 Ų132.989%0.88682%0.815SS**  trans53.6108.6134.6-72.4-86.6000124.3
485A33.6Very low39.4Very low85 Ų85129.1 Ų129.170%0.70281%0.812SS**  13148.7127.800000123.9
486I47.2Very low39.4Very low165 Ų165126.1 Ų126.185%0.84681%0.805SS**  -176.5149.1120.6-89.1150.8000110.6
487V41.1Very low39.6Very low136 Ų136125.1 Ų125.182%0.82480%0.804SS**  trans-137.7152173.8-82.40000110.7
488P46.2Very low39.7Very low113 Ų113126 Ų12673%0.73480%0.799SS**  trans-153.5148.6130.634.2-14.5000118.9
489S41.9Very low40.1Very low123 Ų123127.8 Ų127.886%0.8680%0.798SS**  trans66.6138.3137.8-55.40000125.1
490S37Very low40.4Very low115 Ų115127.7 Ų127.780%0.80479%0.788SS**  trans-103.5171.7176.9-40.10000113.6
491P47.8Very low40.6Very low133 Ų133129.2 Ų129.286%0.86479%0.793SS**  -149.3-178.8110.837.9-20.1000116.4
492T38.5Very low40.5Very low130 Ų130128.1 Ų128.180%0.79879%0.788SS**  trans-129.8150.8-168.532.10000114.9
493M40.4Very low40.6Very low181 Ų181128 Ų12889%0.89279%0.785SS**  trans155.2150.9132.4-88.5-64.1-165.600116.9
494A37.9Very low40.3Very low83 Ų83127.6 Ų127.669%0.68679%0.785SS**  trans58.4119.9156.400000119.9
495S36.7Very low40.3Very low113 Ų113122.4 Ų122.479%0.7978%0.782SS**  76.414364.880.10000115
496S38.8Very low40.4Very low96 Ų96123.3 Ų123.367%0.67178%0.783SS**  cis-170.9177-11.447.60000112.2
497T39.2Very low40Very low135 Ų135120.8 Ų120.883%0.82878%0.78SS**  trans69.4155.1172.969.80000117.8
498S38.6Very low39.9Very low93 Ų93117.8 Ų117.865%0.6578%0.777SS**  cis-173.8149.6-26.656.40000112.7
499L42.7Very low39.4Very low160 Ų160119.4 Ų119.484%0.83878%0.778SS**  trans70.6164.7155.7-64.2155.7000119.4
500P44.5Very low38.8Very low107 Ų107122.2 Ų122.270%0.69578%0.775SS**  -140.8-161.8-58.143.2-25.5000114.5
501S41.3Very low38.6Very low121 Ų121121.5 Ų121.585%0.84677%0.77SS**  trans86.5147.7165.180.80000118.5
502N39.1Very low38.1Very low150 Ų150123.5 Ų123.580%0.80277%0.765SS**  cis-172.2134.1-24.5177.931.4000109.6
503C34.7Very low37.9Very low107 Ų107122.7 Ų122.772%0.72377%0.765SS**  trans170.1120.2143.360.60000115.2
504S40.2Very low37.7Very low108 Ų108120.2 Ų120.276%0.75576%0.762SS**  trans23.5144.9137.149.30000122.3
505S38Very low37.6Very low116 Ų116120.6 Ų120.681%0.81177%0.766SS**  cis-176.91753.543.50000112.2
506S36.8Very low37.6Very low104 Ų104122.2 Ų122.273%0.72777%0.765SS**  trans95.671.8164.2-164.60000119.8
507S39.2Very low37.4Very low113 Ų113126.3 Ų126.379%0.7978%0.776SS**  trans12.8133.3130.5500000121.4
508G37.8Very low37.3Very low73 Ų73127.1 Ų127.175%0.75378%0.781SS**  trans-168.770.9164.700000112
509I35.1Very low37.1Very low147 Ų147127.9 Ų127.975%0.75479%0.786SS**  trans-97128.3-174.4-42.4170.1000109.8
510F31.2Very low36.7Very low182 Ų182124.4 Ų124.480%0.79878%0.78SS**  trans-133.7112.2158.8-74.5-66.6000110.1F512F510-F512 HydrophobicContact CB-CE2 4.18Å; F510-F512 AromaticContact CD1-CE2 3.63Å; F510-F512 HydrophobicContact CD1-CE2 3.63Å; F510-F512 AromaticContact CD1-CZ 3.81Å; F510-F512 HydrophobicContact CD1-CZ 3.81Å; F510-F512 HydrophobicContact CE1-CE2 4.5Å; F510-F512 HydrophobicContact CE1-CZ 4.39Å; F510-F512 HydrophobicContact CG-CE2 4.29Å
511S32.6Very low36.1Very low99 Ų99125.9 Ų125.969%0.69279%0.787SS**  trans-129.2125.3173.1-169.20000107.4
512F35.8Very low35.7Very low176 Ų176129.9 Ų129.977%0.77279%0.789SS**  trans-136.3109.4177.3-64-70.2000109.3F510F510-F512 HydrophobicContact CB-CE2 4.18Å; F510-F512 AromaticContact CD1-CE2 3.63Å; F510-F512 HydrophobicContact CD1-CE2 3.63Å; F510-F512 AromaticContact CD1-CZ 3.81Å; F510-F512 HydrophobicContact CD1-CZ 3.81Å; F510-F512 HydrophobicContact CE1-CE2 4.5Å; F510-F512 HydrophobicContact CE1-CZ 4.39Å; F510-F512 HydrophobicContact CG-CE2 4.29Å
513S34.3Very low35.6Very low113 Ų113131.6 Ų131.679%0.7979%0.792SS**  trans-82.3154.1169.4-650000110.6
514P36.4Very low35.7Very low129 Ų129136.3 Ų136.384%0.83880%0.8SS**  trans-94.7132.7-165.934.8-33.5000114.1
515A36.3Very low35.5Very low91 Ų91135.5 Ų135.575%0.75280%0.795SS**  trans-161.2158.5157.500000111.4
516N37.3Very low35.4Very low147 Ų147135 Ų13579%0.78680%0.798SS**  trans75.491.6167.5-62.6-3.5000119.7
517M34.8Very low35.5Very low182 Ų182135.8 Ų135.890%0.89779%0.788SS**  trans35111.8130.1-63.1-157.9-93.700120.5
518V35.9Very low35.4Very low152 Ų152134.3 Ų134.392%0.92178%0.783SS**  trans-131.6136.2134.9179.70000108.2
519S35.9Very low35.6Very low108 Ų108135.5 Ų135.576%0.75578%0.777SS**  trans-96.5153.6-172.3-162.60000113
520A33Very low35.9Very low87 Ų87134.9 Ų134.972%0.71978%0.78SS**  trans46108.1155.600000120.7
521V33.3Very low36.2Very low139 Ų139132.3 Ų132.384%0.84278%0.779SS**  -140126.1116.6-177.50000109.4Q523V521-Q523 PolarHBondContact O-N 3Å
522K32.9Very low36.8Very low204 Ų204137.2 Ų137.289%0.88778%0.782SS**  trans-8788.2-177.9-176.5179.8-178.6178.10110.5K524K522-K524 PolarHBondContact O-N 3.24Å
523Q37.1Very low36.8Very low187 Ų187134.3 Ų134.387%0.87478%0.781SS**PPolyproline II helixtrans-68.2123.1170.5-82.6-166.2-27.300110.7V521V521-Q523 PolarHBondContact O-N 3Å
524K36.7Very low36.8Very low205 Ų205138.2 Ų138.289%0.89179%0.787SS**PPolyproline II helixtrans-75.1123.9-174-153.1174.1-176.9-177.10109.4K522 A526K522-K524 PolarHBondContact O-N 3.24Å; K524-A526 PolarHBondContact O-N 3.29Å
525S34.9Very low36.9Very low92 Ų92138.7 Ų138.764%0.64379%0.788SS**PPolyproline II helixtrans-60.2127.5178.8-175.90000111.2F527S525-F527 PolarHBondContact O-N 3.1Å; S525-F527 WeakPolarHBondContact OG-CD2 3.27Å
526A36.9Very low36.9Very low105 Ų105139.3 Ų139.387%0.86879%0.786SS**  trans-86.923.6177.300000113.2K524K524-A526 PolarHBondContact O-N 3.29Å
527F37.9Very low37.2Very low120 Ų120137.6 Ų137.653%0.52678%0.783SS.*  trans-94.5101.4178.7-75.3-97.9000110S525S525-F527 PolarHBondContact O-N 3.1Å; S525-F527 WeakPolarHBondContact OG-CD2 3.27Å
528A36.7Very low37.6Very low82 Ų82134.7 Ų134.768%0.67878%0.778SS**  trans-140.9129163.200000108.1
529P43.7Very low37.9Very low98 Ų98132.8 Ų132.864%0.63677%0.769SS**  trans-70.5133177.228.3-32.9000110.5V531P529-V531 PolarHBondContact O-N 3.29Å
530V39.8Very low37.7Very low134 Ų134134.5 Ų134.581%0.81278%0.775SS**  trans-74.894.8175179.70000109.3R532V530-R532 PolarHBondContact O-N 3.37Å
531V39Very low37.7Very low128 Ų128135.7 Ų135.778%0.77678%0.777SS**  trans-71.5113.4167-178.10000108.1P529P529-V531 PolarHBondContact O-N 3.29Å
532R43.2Very low37.8Very low202 Ų202135.6 Ų135.676%0.76278%0.777SS**PPolyproline II helixtrans-78.3138170.2-67.3-173.2-167.8174.76.1109.9V530V530-R532 PolarHBondContact O-N 3.37Å
533P35.8Very low37.8Very low116 Ų116130.6 Ų130.675%0.75377%0.768SS**PPolyproline II helixtrans-60.1145.7165.3-1931.7000110.7T535P533-T535 PolarHBondContact O-N 2.92Å
534Q35.4Very low38Very low194 Ų194128 Ų12891%0.90777%0.765SS**PPolyproline II helixtrans-65.3125.3172.7-72.5-177.8-29.800110.2S536Q534-S536 PolarHBondContact O-N 2.92Å
535T38.4Very low38.1Very low140 Ų140126.2 Ų126.286%0.85977%0.765SS**  trans-79.6101.517050.60000109.6P533P533-T535 PolarHBondContact O-N 2.92Å
536S37Very low38.3Very low103 Ų103125.7 Ų125.772%0.7277%0.774SS**PPolyproline II helixtrans-62.3146.8165.2490000111.1Q534Q534-S536 PolarHBondContact O-N 2.92Å
537P43.2Very low38.4Very low111 Ų111128.1 Ų128.172%0.72177%0.772SS**PPolyproline II helixtrans-68.9151.717830.4-35.1000111.4
538P42.9Very low38.4Very low121 Ų121127.5 Ų127.579%0.78678%0.783SS**PPolyproline II helixtrans-74.2133.6178.830.5-33.6000111
539P41.4Very low38.5Very low112 Ų112130.3 Ų130.373%0.72779%0.786SS**PPolyproline II helixtrans-76136.8171.330.9-32.7000110.9
540T32.3Very low38.3Very low144 Ų144134.2 Ų134.288%0.88380%0.795SS**PPolyproline II helixtrans-73.1120.6169.344.20000110.6
541C32.4Very low38.2Very low113 Ų113132.5 Ų132.576%0.76480%0.795SS**  trans-135118.6172.5-57.10000111.5
542T35.9Very low38.2Very low136 Ų136134 Ų13483%0.83480%0.797SS**  trans-69.4153.4165.838.70000112.1
543S33.9Very low38.1Very low100 Ų100130.1 Ų130.170%0.69980%0.801SS**  trans16.8126.3147.8-1750000117.1
544T40.6Very low38.2Very low132 Ų132127.7 Ų127.781%0.8180%0.797SS**  -168.8163.364.5-32.10000111.5
545N39.4Very low38.4Very low168 Ų168127.2 Ų127.290%0.89880%0.797SS**  trans-71155.7175.7-69.8-36000114.4
546G39.5Very low38.5Very low80 Ų80127.7 Ų127.783%0.82579%0.793SS**  trans157.673.9159.700000119.3
547N39.1Very low39.1Very low156 Ų156129.4 Ų129.483%0.83480%0.799SS**  trans-15152.2168-75.8-16.8000123.4
548S37.7Very low39.1Very low107 Ų107129.1 Ų129.175%0.74880%0.797SS**  trans77.5151.4144.974.10000119.5
549L37.3Very low39.7Very low142 Ų142129 Ų12974%0.74380%0.796SS**  cis-166.5145.8-17.2-109.9166.1000108.3
550Q40Very low39.9Very low179 Ų179136.2 Ų136.284%0.83682%0.823SS**  trans64.4159.7159.5-60.8167.61.600116.7
551A37.9Very low40.3Very low98 Ų98135.9 Ų135.981%0.8182%0.82SS**  cis-146.2171.9600000114
552I39.1Very low40.7Very low160 Ų160137.1 Ų137.182%0.82182%0.823SS**  trans-77.1155.1-167.9-53.3163.3000114.9
553S40.1Very low41Very low120 Ų120137.1 Ų137.184%0.83982%0.823SS**  trans123137.2145.8-52.70000114.7
554G39.3Very low41.4Very low66 Ų66139.3 Ų139.368%0.6883%0.83SS**  cis172.6164.8-6.600000112.5
555M39.9Very low41.5Very low183 Ų183139.8 Ų139.890%0.90183%0.831SS**  trans60.2105.2165.6-58.5-159.8-59.400118.1
556I39.8Very low41.6Very low151 Ų151137.9 Ų137.977%0.77483%0.827SS**  73.1112.474.2-136.7169.7000115
557V49.3Very low41.7Very low139 Ų139142 Ų14284%0.84283%0.827SS**  trans-173.9129132.4172.60000108.2
558P43.7Very low41.9Very low105 Ų105140.9 Ų140.968%0.68283%0.827SS**  trans-120.2179.5162.941-30.6000112.1
559P55.4Low42.3Very low118 Ų118143.8 Ų143.877%0.76683%0.833SS**  cis-128.1176.7-49.139-25.2000112.3
560M45.7Very low42.8Very low264 Ų264143.9 Ų143.9100%1.384%0.841SS**  trans-121.70141-94.3-163.4171.900108.4

Retrieved 560 of 560 residues in 958.5 ms (Link to these results)