A0A3Q0KL61_SCHMA Loading...

histone acetyltransferase

Acetyltransferase enzyme. Acetylates histones, giving a specific tag for transcriptional activation.

AlphaFold DB , UniProt , Accession A0A3Q0KL61, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,885 aa.

>A0A3Q0KL61_SCHMA|A0A3Q0KL61
MQGSTTDQITYTNDRPQGLSTEAKMVLMQQQLALLLHADHCERLERRGMATNCMDRNCGEIRNLLPHLQSCTREKECNVPHCISSKYIMRHYRSCGDMECKVCSAIRKPIGNSTPSSASSVSCPQNGLTSNHKSDISSLNGIKISDSPLPHQKTAFTTGPCESQPTLVLNGEFNRVPLHESRITDQQRELAMKKFVNDISLSIFPTANPTAYSDPRMKQFLDYVKRMEKDVFVKSRSTEEYFKTMALHYHNIHSELKEKRRLRESCPPLQNGDISDVTQPSELSNSVSSENSLKTNSYDQDQFSDALEIVSKREEQIQREIKVEVATESSSNSSDSAGVLEDKDNKEDSNSPEVKYHPVASVEPSESDTKTKIDEKTDLESDAPEPTGSDEKKTDAQASREPIRRRIWYSNELLQHFLPVVLKISKEKDAEPFLTPVDWKFLEIYDYPQIVSDPMDLSTIRRKLEDREYKDPWEIVDDFWLMLNNAWLYNKKTSKVYKTCTRLAETFETIIDPVMQSLGFCCGREYYYQPPTLTCLTPKFCTIYRDAVYYVYKSDGQTPGLLEQKYTVCERCYNEALDQIALDSDSSNPVNVQKSLMEKCKNDIKEKEPFVFCKHCGRKWHRVCAIYLEEIWPDGFICNHCIVNYGLKRVENRFTAKKLTTCKLSNFLEKRVNDFLKKKEADAGDVIIRVLAAADKTVEVKSGMKARFCDNGEMPESFPYRVKAIFAFQEIDGQEVCFFGLHVQEYGSECPLPNTRRVYVAYLDSVYFFRPKQFRTEIYHELLVGYIHYAKLLGFTMAHIWACPPSEGDDYIFHMHPPDQKIPKPKRLQEWYQKMLKKALIERIVVDYKDICQDANESHMISPSELAYFEGDFWPNTLEEIFKEMDEEDAKRKQEQEALARGDDDDEAKENVQTKETDENPGKKKAKRRKLKRSASITITGKRKRLGGIGSGDVANEVARRVYEIMEKHKENFFVIRLHPQNSVAALPPIKDPDPLINSELMECRGAFLEKAREKHLEFSSLRRAKYSTLVMLYELHNENRQPLMYTCNVCSAQLETPWHCKQCIEYDLCPRCYETENHPHPMVKIGIGLDDCNKGQEPSNDSTIQESGRDKLSRWVKALGHSCYCRDANCRVYACKTMKYQVQHFRVHSTDRNQCSVCRFIYYLCCYHSKTCHELKCLVPLCPKLKAKMKQQQKQQRLKQTQMLRRRMATMQRCNSMTPNHQPTPPPSQNYQQCSQSSTSDCISSPMSVPMQSSPFASTAVTTVSYNLTSPHSRSQSSIQSPQQSPFFHPPCPSSYQNSQQTVHSSKAYVSSPSIPRSPSISAMPVSTCVQNLPQSTGTHNQPAVTLESDQLINTHVDISRTGYAFQSQSKYSSSCTQPTTSFSTQQQLQRHHIQERPQTSLNNNWAPNYVVSQHSIQSHGSTSGHSVAHRPLLTNNPVPIDALSPKPFVHQPCVTPMDVDPSYPQQIMSSRFQGENEHNNYIFNKQSQQQSVTHHPSPAYSQVIEGHNPGTLLPPSQTSSGTISNSNWRQPGTAPPGSTMYPSGSSVSSTQPNTSIVRSGSMQPTSSQSIVSTTSPNIGVAVPCSISPEDVRIVQQAYTTMRQRGAPASEFSSWLNSSPQYVRAWQYIQQSHLHNQQQQQLSQMSGCTPSTSNPHCPMGAQLHNTYSACQTPQNSQSVAGSRPLPQSRYPYSQVQQQQIIGNPQSHQSQSWSSLPTQQPRFRQAITPPSFNQQFSIPCHQQIGKPLSTTISPTQASNSPQRYMTQTNMPQPMTNQIPISPPASNISRCANTAMPQMVSLPRCTNSLSMPSMGLVNSAGMSPNRAVQPSPHYSSVMLSQLLGPGQTANLVNTPSSVSEYPNMPNKQHLVRQEFIPSTVFQQKLN
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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
1M32.5Very low28.9Very low206 Ų206120.5 Ų120.5100%1.01567%0.67SS**  01120-57.5-38.4179.700106.7
2Q30Very low28.6Very low184 Ų184114.7 Ų114.786%0.8664%0.64SS**  65.7121.875.8-66.1173.9-10.800111.1
3G30.5Very low28.6Very low68 Ų68117.6 Ų117.670%0.70165%0.654SS**  cis175159.4-7.900000113.7
4S28.9Very low28.5Very low121 Ų121118.2 Ų118.285%0.84666%0.655SS**  trans46.8113.8148.956.60000120.7
5T27Very low28.7Very low117 Ų117127 Ų12772%0.71867%0.674SS**  trans-62.5162.6130.356.10000108.3
6T26.4Very low28.9Very low88 Ų88123.4 Ų123.454%0.5466%0.661SS.*  -175.3158.460.8-44.90000108.8
7D29Very low29.1Very low117 Ų117128.3 Ų128.363%0.62668%0.678SS**  trans143.7148.2137.7-77.66.9000112.5
8Q30.5Very low29.4Very low132 Ų132124.9 Ų124.962%0.61768%0.679SS**SBendcis-149.3159.7-23.8-106.6-178.379.900105.8T10Q8-T10 VanDerWaalsContact CD-OG1 3.27Å; Q8-T10 HydrophobicContact CG-CG2 4.16Å; Q8-T10 WeakPolarHBondContact CG-OG1 3.48Å; Q8-T10 PolarHBondContact OE1-OG1 3.08Å
9I26.6Very low29.8Very low151 Ų151123.2 Ų123.277%0.77467%0.669SS**SBendcis-65.6139.410.6-70.9172.6000111.8
10T27.8Very low30.9Very low54 Ų54120.8 Ų120.833%0.33166%0.662SS.*  cis73.541.245.711.10000118.1Q8 T12Q8-T10 VanDerWaalsContact CD-OG1 3.27Å; Q8-T10 HydrophobicContact CG-CG2 4.16Å; Q8-T10 WeakPolarHBondContact CG-OG1 3.48Å; Q8-T10 PolarHBondContact OE1-OG1 3.08Å; T10-T12 HydrophobicContact CG2-CG2 4.12Å
11Y28.4Very low32.5Very low87 Ų87119.9 Ų119.934%0.34166%0.66SS.*  trans-116.480.1131.6-90.5-101.3000107.9L19 A23 K24 L27Y11-L19 HydrophobicContact CD1-CB 4.4Å; Y11-L19 HydrophobicContact CD1-CD1 3.82Å; Y11-L19 HydrophobicContact CE1-CB 3.95Å; Y11-L19 HydrophobicContact CE1-CD1 3.69Å; Y11-L19 HydrophobicContact CE1-CD2 3.89Å; Y11-L19 HydrophobicContact CE1-CG 4.05Å; Y11-A23 HydrophobicContact CE1-CB 3.84Å; Y11-A23 WeakPolarHBondContact OH-CB 3.47Å; Y11-K24 HydrophobicContact CD1-CD 4.25Å; Y11-K24 HydrophobicContact CD1-CG 3.48Å; Y11-K24 VanDerWaalsContact CD1-CG 3.48Å; Y11-K24 HydrophobicContact CE1-CG 4.12Å; Y11-K24 HydrophobicContact CG-CG 4.26Å; Y11-L27 HydrophobicContact CD2-CD1 3.64Å; Y11-L27 HydrophobicContact CE2-CD1 3.77Å; Y11-L27 HydrophobicContact CG-CD1 4.26Å
12T26.1Very low34.2Very low51 Ų51114.4 Ų114.431%0.31363%0.632SS.*  trans-61.5158.3-168.938.60000114.2T10 D14 K24T10-T12 HydrophobicContact CG2-CG2 4.12Å; T12-D14 VanDerWaalsContact C-N 3.3Å; T12-D14 PolarHBondContact O-N 3.12Å; T12-K24 PolarHBondContact O-NZ 3.42Å
13N27.8Very low35.9Very low153 Ų153106.9 Ų106.982%0.81860%0.601SS**SBendtrans-8867.6169.2-90.8-14.1000110.6
14D27.1Very low37.7Very low126 Ų126107.4 Ų107.467%0.67458%0.584SS**SBendtrans-117.7168.8156.1-87.9-60.2000109.6T12 P16T12-D14 VanDerWaalsContact C-N 3.3Å; T12-D14 PolarHBondContact O-N 3.12Å; D14-P16 VanDerWaalsContact O-CD 3.27Å; D14-P16 WeakPolarHBondContact O-CD 3.33Å
15R32.5Very low39.9Very low250 Ų250102.9 Ų102.994%0.94355%0.55SS*.  trans-95.187.2160.2-103.7-176.3164.6-173.4-3.6110.1
16P32Very low42.2Very low70 Ų70100.2 Ų100.246%0.45553%0.534SS..  trans-102.213513533.5-29.6000107.7D14D14-P16 VanDerWaalsContact O-CD 3.27Å; D14-P16 WeakPolarHBondContact O-CD 3.33Å
17Q31.3Very low44.5Very low206 Ų206100 Ų10096%0.96353%0.529SS*.SBendcis44.146.144.5-57.5-166.5-6.800111.9
18G34.3Very low47Very low67 Ų6797.3 Ų97.369%0.69151%0.513SS*.  trans-178.3-46176.300000114.8
19L38.3Very low49.6Very low92 Ų9293 Ų9348%0.48249%0.493SS..SBendtrans-96.3118.3178.1-72.9167.5000110.1Y11Y11-L19 HydrophobicContact CD1-CB 4.4Å; Y11-L19 HydrophobicContact CD1-CD1 3.82Å; Y11-L19 HydrophobicContact CE1-CB 3.95Å; Y11-L19 HydrophobicContact CE1-CD1 3.69Å; Y11-L19 HydrophobicContact CE1-CD2 3.89Å; Y11-L19 HydrophobicContact CE1-CG 4.05Å
20S51.5Low52.3Low75 Ų7591.9 Ų91.952%0.52448%0.484SS..  trans-63.6148.5-175.371.20000111.5E22 A23S20-E22 PolarHBondContact O-N 3.39Å; S20-E22 VanDerWaalsContact O-N 3.15Å; S20-A23 PolarHBondContact O-N 2.8Å; S20-A23 VanDerWaalsContact O-N 3.1Å
21T64.3Low55.1Low103 Ų10391.9 Ų91.963%0.63248%0.481SS*.Hα-helixtrans-53.1-38.7178.5-28.10000110.9A23 K24 M25T21-A23 VanDerWaalsContact C-N 3.33Å; T21-A23 PolarHBondContact O-N 3.03Å; T21-K24 PolarHBondContact O-N 3.18Å; T21-M25 HydrophobicContact CG2-CE 4.15Å; T21-M25 HydrophobicContact CG2-SD 3.85Å; T21-M25 VanDerWaalsContact O-CG 3.22Å; T21-M25 WeakPolarHBondContact O-CG 3.38Å; T21-M25 PolarHBondContact O-N 3.39Å; T21-M25 VanDerWaalsContact O-N 3.17Å
22E68.3Low58Low90 Ų9087.7 Ų87.742%0.42146%0.464SS..Hα-helixtrans-48.6-47.1176.4-116.354.3-129.100113.4S20 M25 V26 K101S20-E22 PolarHBondContact O-N 3.39Å; S20-E22 VanDerWaalsContact O-N 3.15Å; E22-M25 PolarHBondContact O-N 2.92Å; E22-M25 VanDerWaalsContact O-N 3.14Å; E22-M25 WeakPolarHBondContact OE1-CE 3.05Å; E22-V26 WeakPolarHBondContact O-CG2 3.46Å; E22-V26 PolarHBondContact O-N 2.66Å; E22-K101 IonicContact OE1-NZ 3.29Å; E22-K101 PolarHBondContact OE1-NZ 3.46Å; E22-K101 IonicContact OE2-NZ 3.83Å; E22-K101 PolarHBondContact OE2-NZ 2.92Å
23A64.9Low61Low26 Ų2687.6 Ų87.622%0.21547%0.468CS..Hα-helixtrans-68.3-40.5-173.900000113Y11 S20 T21 M25 L27Y11-A23 HydrophobicContact CE1-CB 3.84Å; Y11-A23 WeakPolarHBondContact OH-CB 3.47Å; S20-A23 PolarHBondContact O-N 2.8Å; S20-A23 VanDerWaalsContact O-N 3.1Å; T21-A23 VanDerWaalsContact C-N 3.33Å; T21-A23 PolarHBondContact O-N 3.03Å; A23-M25 VanDerWaalsContact C-N 3.27Å; A23-M25 PolarHBondContact O-N 3.37Å; A23-L27 PolarHBondContact O-N 2.76Å
24K68.3Low63.9Low79 Ų7981.8 Ų81.834%0.34344%0.437SS..Hα-helixtrans-63.9-35.6172.6-70.8-167.8177.9-166.30111.1Y11 T12 T21 M28Y11-K24 HydrophobicContact CD1-CD 4.25Å; Y11-K24 HydrophobicContact CD1-CG 3.48Å; Y11-K24 VanDerWaalsContact CD1-CG 3.48Å; Y11-K24 HydrophobicContact CE1-CG 4.12Å; Y11-K24 HydrophobicContact CG-CG 4.26Å; T12-K24 PolarHBondContact O-NZ 3.42Å; T21-K24 PolarHBondContact O-N 3.18Å; K24-M28 WeakPolarHBondContact O-CG 3.36Å; K24-M28 PolarHBondContact O-N 2.78Å
25M76.7Confident67Low26 Ų2675.8 Ų75.813%0.12841%0.405CS..Hα-helixtrans-72-40.8-179-64.1177.1-40.800111.9T21 E22 A23 L27 M28 Q29 K101 V102T21-M25 HydrophobicContact CG2-CE 4.15Å; T21-M25 HydrophobicContact CG2-SD 3.85Å; T21-M25 VanDerWaalsContact O-CG 3.22Å; T21-M25 WeakPolarHBondContact O-CG 3.38Å; T21-M25 PolarHBondContact O-N 3.39Å; T21-M25 VanDerWaalsContact O-N 3.17Å; E22-M25 PolarHBondContact O-N 2.92Å; E22-M25 VanDerWaalsContact O-N 3.14Å; E22-M25 WeakPolarHBondContact OE1-CE 3.05Å; A23-M25 VanDerWaalsContact C-N 3.27Å; A23-M25 PolarHBondContact O-N 3.37Å; M25-L27 PolarHBondContact O-N 3.3Å; M25-M28 PolarHBondContact O-N 3.45Å; M25-Q29 VanDerWaalsContact O-CG 3.25Å; M25-Q29 WeakPolarHBondContact O-CG 3.05Å; M25-Q29 PolarHBondContact O-N 3.13Å; M25-K101 HydrophobicContact CB-CB 4.29Å; M25-K101 HydrophobicContact CE-CB 3.61Å; M25-K101 HydrophobicContact CE-CD 3.53Å; M25-K101 HydrophobicContact CE-CG 3.64Å; M25-K101 HydrophobicContact CG-CB 4.11Å; M25-K101 HydrophobicContact SD-CB 3.19Å; M25-K101 WeakPolarHBondContact SD-CB 3.32Å; M25-K101 HydrophobicContact SD-CD 4.25Å; M25-K101 HydrophobicContact SD-CG 3.65Å; M25-V102 HydrophobicContact CB-CG2 4.47Å; M25-V102 HydrophobicContact CG-CG2 4.34Å
26V74.3Confident69.7Low62 Ų6266.2 Ų66.238%0.37637%0.372SS..Hα-helixtrans-60.2-41.2175172.20000112.5E22 M28 Q29 Q30E22-V26 WeakPolarHBondContact O-CG2 3.46Å; E22-V26 PolarHBondContact O-N 2.66Å; V26-M28 PolarHBondContact O-N 3Å; V26-Q29 WeakPolarHBondContact O-CB 3.46Å; V26-Q29 PolarHBondContact O-N 2.93Å; V26-Q30 PolarHBondContact O-N 2.92Å
27L74.4Confident72.5Confident84 Ų8466 Ų6644%0.4437%0.365SS..Hα-helixtrans-62.5-41.6175.7-80.7163.3000112.4Y11 A23 M25 Q29 Q30 Q31Y11-L27 HydrophobicContact CD2-CD1 3.64Å; Y11-L27 HydrophobicContact CE2-CD1 3.77Å; Y11-L27 HydrophobicContact CG-CD1 4.26Å; A23-L27 PolarHBondContact O-N 2.76Å; M25-L27 PolarHBondContact O-N 3.3Å; L27-Q29 VanDerWaalsContact C-N 3.33Å; L27-Q29 PolarHBondContact O-N 3.3Å; L27-Q30 PolarHBondContact O-N 3Å; L27-Q31 PolarHBondContact O-N 3.09Å; L27-Q31 VanDerWaalsContact O-N 3.14Å
28M82.7Confident75.3Confident59 Ų5956.2 Ų56.229%0.29132%0.32SS..Hα-helixtrans-68.2-31.7176.4-65.1178.174.200112.6K24 M25 V26 L32 I88 V102K24-M28 WeakPolarHBondContact O-CG 3.36Å; K24-M28 PolarHBondContact O-N 2.78Å; M25-M28 PolarHBondContact O-N 3.45Å; V26-M28 PolarHBondContact O-N 3Å; M28-L32 WeakPolarHBondContact O-CB 3.35Å; M28-L32 PolarHBondContact O-N 3.5Å; M28-I88 HydrophobicContact CB-CD1 4.43Å; M28-I88 HydrophobicContact CE-CD1 4.44Å; M28-I88 HydrophobicContact CE-CG1 3.97Å; M28-I88 HydrophobicContact CG-CD1 4.42Å; M28-V102 HydrophobicContact CB-CB 4.39Å; M28-V102 HydrophobicContact CB-CG1 3.62Å; M28-V102 HydrophobicContact CB-CG2 3.9Å; M28-V102 HydrophobicContact CE-CG1 4.26Å; M28-V102 HydrophobicContact CE-CG2 4.07Å; M28-V102 HydrophobicContact CG-CG2 4.49Å; M28-V102 HydrophobicContact SD-CG2 3.84Å
29Q84.9Confident77.8Confident43 Ų4354 Ų5420%0.20129%0.292CS..Hα-helixtrans-63.6-53171-63.7161.79.300110.5M25 V26 L27 Q31 L32 A33 K101 V102 A105 I106M25-Q29 VanDerWaalsContact O-CG 3.25Å; M25-Q29 WeakPolarHBondContact O-CG 3.05Å; M25-Q29 PolarHBondContact O-N 3.13Å; V26-Q29 WeakPolarHBondContact O-CB 3.46Å; V26-Q29 PolarHBondContact O-N 2.93Å; L27-Q29 VanDerWaalsContact C-N 3.33Å; L27-Q29 PolarHBondContact O-N 3.3Å; Q29-Q31 VanDerWaalsContact C-N 3.31Å; Q29-Q31 PolarHBondContact O-N 3.33Å; Q29-L32 WeakPolarHBondContact O-CB 3.45Å; Q29-L32 PolarHBondContact O-N 3.36Å; Q29-A33 PolarHBondContact O-N 3.31Å; Q29-K101 PolarHBondContact NE2-O 3.45Å; Q29-V102 WeakPolarHBondContact CG-O 3.4Å; Q29-A105 HydrophobicContact CB-CB 4.22Å; Q29-A105 HydrophobicContact CG-CB 3.59Å; Q29-I106 WeakPolarHBondContact O-CD1 3.45Å
30Q83.6Confident80.1Confident127 Ų12754.8 Ų54.859%0.59329%0.293SS*.Hα-helixtrans-57.3-42.7-178.2-71.4178.6-3.500112.4V26 L27 L32 A33 L34V26-Q30 PolarHBondContact O-N 2.92Å; L27-Q30 PolarHBondContact O-N 3Å; Q30-L32 PolarHBondContact O-N 2.71Å; Q30-A33 PolarHBondContact O-N 3.16Å; Q30-L34 PolarHBondContact O-N 3.31Å
31Q85.6Confident81.8Confident53 Ų5351.6 Ų51.625%0.24827%0.27CS..Hα-helixtrans-65-38.2176.5-169.3175.4-0.300112.5L27 Q29 L35 S85 I88L27-Q31 PolarHBondContact O-N 3.09Å; L27-Q31 VanDerWaalsContact O-N 3.14Å; Q29-Q31 VanDerWaalsContact C-N 3.31Å; Q29-Q31 PolarHBondContact O-N 3.33Å; Q31-L35 HydrophobicContact CG-CD1 4.13Å; Q31-L35 WeakPolarHBondContact O-CD1 3.05Å; Q31-L35 WeakPolarHBondContact O-CG 3.15Å; Q31-L35 PolarHBondContact O-N 2.69Å; Q31-L35 VanDerWaalsContact O-N 3.13Å; Q31-S85 PolarHBondContact NE2-OG 2.9Å; Q31-I88 HydrophobicContact CB-CD1 4.32Å; Q31-I88 HydrophobicContact CG-CD1 4.33Å
32L89.7Confident82.8Confident0 Ų047.9 Ų47.90%025%0.246CC..Hα-helixtrans-65.3-38.2175.7175.960.2000112.5M28 Q29 Q30 L35 L36 I88 M89 Y92 I106M28-L32 WeakPolarHBondContact O-CB 3.35Å; M28-L32 PolarHBondContact O-N 3.5Å; Q29-L32 WeakPolarHBondContact O-CB 3.45Å; Q29-L32 PolarHBondContact O-N 3.36Å; Q30-L32 PolarHBondContact O-N 2.71Å; L32-L35 PolarHBondContact O-N 3.33Å; L32-L36 HydrophobicContact CD1-CD1 4.01Å; L32-L36 HydrophobicContact CD1-CG 4.29Å; L32-L36 HydrophobicContact CG-CD1 4.2Å; L32-L36 WeakPolarHBondContact O-CG 3.4Å; L32-L36 PolarHBondContact O-N 3.4Å; L32-I88 HydrophobicContact CB-CG2 3.71Å; L32-I88 HydrophobicContact CD1-CG2 3.93Å; L32-I88 HydrophobicContact CG-CG2 4.29Å; L32-M89 HydrophobicContact CD1-SD 3.95Å; L32-Y92 HydrophobicContact CD1-CD1 4.11Å; L32-Y92 HydrophobicContact CD1-CD2 3.95Å; L32-Y92 HydrophobicContact CD1-CG 3.64Å; L32-Y92 HydrophobicContact CD2-CD2 3.53Å; L32-Y92 HydrophobicContact CD2-CE2 4.13Å; L32-Y92 HydrophobicContact CD2-CG 4.06Å; L32-Y92 HydrophobicContact CG-CD2 4.25Å; L32-Y92 HydrophobicContact CG-CG 4.43Å; L32-I106 HydrophobicContact CB-CD1 3.76Å; L32-I106 HydrophobicContact CD2-CB 4.37Å; L32-I106 HydrophobicContact CD2-CD1 3.88Å; L32-I106 HydrophobicContact CG-CD1 3.71Å
33A89.2Confident83.4Confident48 Ų4850.1 Ų50.140%0.39725%0.25SS..Hα-helixtrans-62.6-47.1177.300000111.3Q29 Q30 L35 L36 H37 I106Q29-A33 PolarHBondContact O-N 3.31Å; Q30-A33 PolarHBondContact O-N 3.16Å; A33-L35 PolarHBondContact O-N 3.29Å; A33-L36 PolarHBondContact O-N 3.17Å; A33-H37 WeakPolarHBondContact O-CB 3.33Å; A33-H37 PolarHBondContact O-N 2.9Å; A33-I106 HydrophobicContact CB-CD1 3.76Å; A33-I106 HydrophobicContact CB-CG1 4.41Å
34L87.3Confident84Confident32 Ų3251.4 Ų51.417%0.16825%0.253CS..Hα-helixtrans-64.4-38.2179.9-17464.6000112.3Q30 L36 H37 A38 N57 I61Q30-L34 PolarHBondContact O-N 3.31Å; L34-L36 PolarHBondContact O-N 3.34Å; L34-H37 PolarHBondContact O-N 2.74Å; L34-A38 WeakPolarHBondContact O-CB 3.45Å; L34-A38 PolarHBondContact O-N 2.91Å; L34-N57 HydrophobicContact CD1-CB 4.14Å; L34-N57 HydrophobicContact CD2-CB 3.66Å; L34-I61 HydrophobicContact CD2-CD1 4.48Å; L34-I61 HydrophobicContact CD2-CG1 3.66Å; L34-I61 HydrophobicContact CG-CG1 3.91Å
35L92.4Very high84.5Confident0 Ų052.2 Ų52.20%026%0.258CS..Hα-helixtrans-61.4-40.4174.3-78.6159.5000112.8Q31 L32 A33 D39 I61 L68 I88 M89Q31-L35 HydrophobicContact CG-CD1 4.13Å; Q31-L35 WeakPolarHBondContact O-CD1 3.05Å; Q31-L35 WeakPolarHBondContact O-CG 3.15Å; Q31-L35 PolarHBondContact O-N 2.69Å; Q31-L35 VanDerWaalsContact O-N 3.13Å; L32-L35 PolarHBondContact O-N 3.33Å; A33-L35 PolarHBondContact O-N 3.29Å; L35-D39 WeakPolarHBondContact O-CB 3.33Å; L35-D39 PolarHBondContact O-N 3.42Å; L35-I61 HydrophobicContact CD2-CG2 3.66Å; L35-I61 HydrophobicContact CG-CG2 4.21Å; L35-L68 HydrophobicContact CD2-CD1 3.84Å; L35-I88 HydrophobicContact CD1-CG2 4.39Å; L35-M89 HydrophobicContact CB-CG 4.44Å; L35-M89 HydrophobicContact CB-SD 4.01Å; L35-M89 HydrophobicContact CD1-CG 4.04Å; L35-M89 HydrophobicContact CD1-SD 4.49Å
36L90.8Very high84.5Confident48 Ų4858.9 Ų58.925%0.25128%0.282SS..Hα-helixtrans-76.2-35.4177.8-66.7168.1000112.4L32 A33 L34 H40 M89 Y92 I106L32-L36 HydrophobicContact CD1-CD1 4.01Å; L32-L36 HydrophobicContact CD1-CG 4.29Å; L32-L36 HydrophobicContact CG-CD1 4.2Å; L32-L36 WeakPolarHBondContact O-CG 3.4Å; L32-L36 PolarHBondContact O-N 3.4Å; A33-L36 PolarHBondContact O-N 3.17Å; L34-L36 PolarHBondContact O-N 3.34Å; L36-H40 PolarHBondContact O-N 2.57Å; L36-H40 VanDerWaalsContact O-N 3.1Å; L36-M89 HydrophobicContact CD2-CE 4.18Å; L36-M89 HydrophobicContact CD2-SD 4.44Å; L36-Y92 HydrophobicContact CD1-CD1 4.43Å; L36-Y92 HydrophobicContact CD1-CE1 3.84Å; L36-Y92 HydrophobicContact CD1-CE2 4.32Å; L36-Y92 HydrophobicContact CD2-CD1 4.29Å; L36-Y92 HydrophobicContact CD2-CE1 3.82Å; L36-Y92 HydrophobicContact CG-CE1 4.44Å; L36-I106 HydrophobicContact CD1-CG2 3.64Å
37H90.5Very high84.5Confident67 Ų6765.5 Ų65.531%0.3130%0.3SS..Hα-helixtrans-61.4-48.5172.6170.183.5000111.5A33 L34 D39 H40 C41 C53 C58A33-H37 WeakPolarHBondContact O-CB 3.33Å; A33-H37 PolarHBondContact O-N 2.9Å; L34-H37 PolarHBondContact O-N 2.74Å; H37-D39 PolarHBondContact O-N 2.62Å; H37-H40 PolarHBondContact O-N 2.93Å; H37-C41 WeakPolarHBondContact O-CB 3.39Å; H37-C41 PolarHBondContact O-N 3.26Å; H37-C53 VanDerWaalsContact CE1-SG 3.53Å; H37-C53 PolarHBondContact NE2-SG 3.1Å; H37-C58 PolarHBondContact CD2-SG 2.85Å; H37-C58 PolarHBondContact NE2-SG 3.23Å
38A89.7Confident83.9Confident0 Ų065 Ų650%032%0.315CS..Hα-helixtrans-58.9-44.8179.300000112.3L34 H40 C41 E42 I61 R62 L65L34-A38 WeakPolarHBondContact O-CB 3.45Å; L34-A38 PolarHBondContact O-N 2.91Å; A38-H40 VanDerWaalsContact C-N 3.3Å; A38-H40 PolarHBondContact O-N 2.99Å; A38-C41 PolarHBondContact O-N 3.5Å; A38-E42 WeakPolarHBondContact O-CB 3.34Å; A38-E42 PolarHBondContact O-N 2.63Å; A38-I61 HydrophobicContact CB-CB 4.01Å; A38-I61 HydrophobicContact CB-CG2 3.62Å; A38-R62 HydrophobicContact CB-CG 3.84Å; A38-L65 HydrophobicContact CB-CD1 3.87Å
39D87.4Confident82.4Confident21 Ų2167.8 Ų67.811%0.11233%0.329CS..Hα-helixtrans-69.8-24.9179.4-178.8101.4000112.8L35 H37 R43 L65L35-D39 WeakPolarHBondContact O-CB 3.33Å; L35-D39 PolarHBondContact O-N 3.42Å; H37-D39 PolarHBondContact O-N 2.62Å; D39-R43 WeakPolarHBondContact O-CB 3.39Å; D39-R43 VanDerWaalsContact O-CG 3.27Å; D39-R43 WeakPolarHBondContact O-CG 3.24Å; D39-R43 PolarHBondContact O-NE 2.85Å; D39-R43 IonicContact OD2-CZ 3.96Å; D39-R43 IonicContact OD2-NE 2.67Å; D39-R43 PolarHBondContact OD2-NE 3.21Å; D39-R43 IonicContact OD2-NH2 2.85Å; D39-R43 PolarHBondContact OD2-NH2 3.15Å; D39-L65 HydrophobicContact CB-CD1 3.78Å; D39-L65 HydrophobicContact CB-CD2 4.3Å
40H84.7Confident80.8Confident108 Ų10870.8 Ų70.850%0.536%0.361SS..Hα-helixtrans-77.5-46.4169.2-17462.2000112.1L36 H37 A38 E42 R43 L44L36-H40 PolarHBondContact O-N 2.57Å; L36-H40 VanDerWaalsContact O-N 3.1Å; H37-H40 PolarHBondContact O-N 2.93Å; A38-H40 VanDerWaalsContact C-N 3.3Å; A38-H40 PolarHBondContact O-N 2.99Å; H40-E42 PolarHBondContact O-N 3.37Å; H40-R43 PolarHBondContact O-N 3.35Å; H40-R43 VanDerWaalsContact O-N 3.14Å; H40-L44 PolarHBondContact O-N 2.79Å; H40-L44 VanDerWaalsContact O-N 3.08Å
41C87.8Confident79.7Confident7 Ų766.5 Ų66.55%0.04734%0.344CS..Hα-helixtrans-59.1-46.1178.9179.40000111.6H37 A38 R43 L44 E45 R62H37-C41 WeakPolarHBondContact O-CB 3.39Å; H37-C41 PolarHBondContact O-N 3.26Å; A38-C41 PolarHBondContact O-N 3.5Å; C41-R43 VanDerWaalsContact C-N 3.3Å; C41-R43 PolarHBondContact O-N 2.8Å; C41-L44 PolarHBondContact O-N 3.06Å; C41-E45 PolarHBondContact O-N 3.35Å; C41-E45 VanDerWaalsContact O-N 3.12Å; C41-R62 PolarHBondContact SG-NH1 3.4Å; C41-R62 VanDerWaalsContact SG-NH1 3.45Å
42E84.7Confident78.5Confident26 Ų2672 Ų7212%0.12138%0.375CS..Hα-helixtrans-62-37.6176-155.8-159165.400112.2A38 H40 L44 E45 R46 R62A38-E42 WeakPolarHBondContact O-CB 3.34Å; A38-E42 PolarHBondContact O-N 2.63Å; H40-E42 PolarHBondContact O-N 3.37Å; E42-L44 VanDerWaalsContact C-N 3.31Å; E42-L44 PolarHBondContact O-N 2.76Å; E42-E45 PolarHBondContact O-N 3.21Å; E42-R46 WeakPolarHBondContact O-CB 3.33Å; E42-R46 VanDerWaalsContact O-CG 3.29Å; E42-R46 WeakPolarHBondContact O-CG 3.33Å; E42-R46 PolarHBondContact O-N 3.48Å; E42-R46 IonicContact OE1-CZ 3.35Å; E42-R46 IonicContact OE1-NE 2.79Å; E42-R46 PolarHBondContact OE1-NE 3.05Å; E42-R46 IonicContact OE1-NH2 3.21Å; E42-R46 PolarHBondContact OE1-NH2 2.95Å; E42-R46 IonicContact OE2-CZ 3.57Å; E42-R46 IonicContact OE2-NH2 3.22Å; E42-R46 PolarHBondContact OE2-NH2 3.14Å; E42-R62 HydrophobicContact CB-CG 4.35Å
43R81.3Confident77.8Confident137 Ų13774.6 Ų74.652%0.51739%0.392SS..Hα-helixtrans-72.4-18.8177.5-76.8-170.7-75.7156.7-6.5114.2D39 H40 C41 R47D39-R43 WeakPolarHBondContact O-CB 3.39Å; D39-R43 VanDerWaalsContact O-CG 3.27Å; D39-R43 WeakPolarHBondContact O-CG 3.24Å; D39-R43 PolarHBondContact O-NE 2.85Å; D39-R43 IonicContact OD2-CZ 3.96Å; D39-R43 IonicContact OD2-NE 2.67Å; D39-R43 PolarHBondContact OD2-NE 3.21Å; D39-R43 IonicContact OD2-NH2 2.85Å; D39-R43 PolarHBondContact OD2-NH2 3.15Å; H40-R43 PolarHBondContact O-N 3.35Å; H40-R43 VanDerWaalsContact O-N 3.14Å; C41-R43 VanDerWaalsContact C-N 3.3Å; C41-R43 PolarHBondContact O-N 2.8Å; R43-R47 WeakPolarHBondContact O-CD 3.33Å; R43-R47 VanDerWaalsContact O-CG 3.3Å; R43-R47 WeakPolarHBondContact O-CG 3.31Å
44L77.7Confident77.2Confident52 Ų5280.9 Ų80.927%0.27242%0.416SS..Hα-helixtrans-80.1-45.6169.7-69.6173.2000111.2H40 C41 E42 R46 R47 M49 T51H40-L44 PolarHBondContact O-N 2.79Å; H40-L44 VanDerWaalsContact O-N 3.08Å; C41-L44 PolarHBondContact O-N 3.06Å; E42-L44 VanDerWaalsContact C-N 3.31Å; E42-L44 PolarHBondContact O-N 2.76Å; L44-R46 PolarHBondContact O-N 3.44Å; L44-R47 WeakPolarHBondContact O-CA 3.03Å; L44-R47 WeakPolarHBondContact O-CB 3.48Å; L44-R47 PolarHBondContact O-N 3.05Å; L44-M49 HydrophobicContact CD2-SD 4.07Å; L44-M49 PolarHBondContact O-N 3.45Å; L44-T51 HydrophobicContact CB-CG2 3.7Å; L44-T51 HydrophobicContact CD1-CG2 4.27Å
45E78.8Confident76.6Confident96 Ų9682.7 Ų82.745%0.44943%0.425SS..Hα-helixtrans-62.6-43.7178.6-163.3179.3101.500111.7C41 E42 R47 G48 T51 R62C41-E45 PolarHBondContact O-N 3.35Å; C41-E45 VanDerWaalsContact O-N 3.12Å; E42-E45 PolarHBondContact O-N 3.21Å; E45-R47 PolarHBondContact O-N 3.28Å; E45-G48 PolarHBondContact O-N 2.86Å; E45-T51 PolarHBondContact OE2-OG1 3.27Å; E45-R62 IonicContact OE1-CZ 2.72Å; E45-R62 IonicContact OE1-NH1 3.6Å; E45-R62 IonicContact OE1-NH2 2.7Å; E45-R62 PolarHBondContact OE1-NH2 3.47Å; E45-R62 IonicContact OE2-CZ 2.66Å; E45-R62 VanDerWaalsContact OE2-CZ 3.3Å; E45-R62 IonicContact OE2-NH1 3.84Å; E45-R62 PolarHBondContact OE2-NH1 2.76Å; E45-R62 IonicContact OE2-NH2 3.98Å; E45-R62 PolarHBondContact OE2-NH2 3.4Å
46R77.6Confident75.9Confident166 Ų16693.9 Ų93.963%0.62647%0.467SS*.THydrogen-bonded Turntrans-61.3-13.1172.1-69.9-176.4-166.5-174.99.2114E42 L44E42-R46 WeakPolarHBondContact O-CB 3.33Å; E42-R46 VanDerWaalsContact O-CG 3.29Å; E42-R46 WeakPolarHBondContact O-CG 3.33Å; E42-R46 PolarHBondContact O-N 3.48Å; E42-R46 IonicContact OE1-CZ 3.35Å; E42-R46 IonicContact OE1-NE 2.79Å; E42-R46 PolarHBondContact OE1-NE 3.05Å; E42-R46 IonicContact OE1-NH2 3.21Å; E42-R46 PolarHBondContact OE1-NH2 2.95Å; E42-R46 IonicContact OE2-CZ 3.57Å; E42-R46 IonicContact OE2-NH2 3.22Å; E42-R46 PolarHBondContact OE2-NH2 3.14Å; L44-R46 PolarHBondContact O-N 3.44Å
47R74.2Confident75.4Confident202 Ų20295.8 Ų95.876%0.76248%0.478SS*.THydrogen-bonded Turntrans-97.110173.5-73.2177.8177.2-148.4-2.4113.2R43 L44 E45 M49R43-R47 WeakPolarHBondContact O-CD 3.33Å; R43-R47 VanDerWaalsContact O-CG 3.3Å; R43-R47 WeakPolarHBondContact O-CG 3.31Å; L44-R47 WeakPolarHBondContact O-CA 3.03Å; L44-R47 WeakPolarHBondContact O-CB 3.48Å; L44-R47 PolarHBondContact O-N 3.05Å; E45-R47 PolarHBondContact O-N 3.28Å; R47-M49 PolarHBondContact O-N 3.07Å
48G61.6Low75.3Confident73 Ų7392.8 Ų92.875%0.75347%0.465SS*.THydrogen-bonded Turntrans75.110.2-179.900000114.3E45E45-G48 PolarHBondContact O-N 2.86Å
49M49.9Very low75.1Confident118 Ų11894.8 Ų94.858%0.58149%0.485SS*.  trans-87115173.7-65.3179.417000108.7L44 R47 T51L44-M49 HydrophobicContact CD2-SD 4.07Å; L44-M49 PolarHBondContact O-N 3.45Å; R47-M49 PolarHBondContact O-N 3.07Å; M49-T51 PolarHBondContact O-N 2.66Å; M49-T51 VanDerWaalsContact O-N 3.15Å
50A51.5Low74.9Confident105 Ų105100.9 Ų100.987%0.86851%0.513SS*.  trans-67.8110.3-176.700000111.7
51T61.3Low75.1Confident38 Ų3896.7 Ų96.723%0.23349%0.494CS..  trans-100.490.1-17544.80000113.1L44 E45 M49 C53L44-T51 HydrophobicContact CB-CG2 3.7Å; L44-T51 HydrophobicContact CD1-CG2 4.27Å; E45-T51 PolarHBondContact OE2-OG1 3.27Å; M49-T51 PolarHBondContact O-N 2.66Å; M49-T51 VanDerWaalsContact O-N 3.15Å; T51-C53 PolarHBondContact O-N 2.97Å
52N61Low75.2Confident168 Ų16898.5 Ų98.590%0.89850%0.5SS*.  trans-72.372.1161.8-80.3-6000110
53C74.8Confident75.2Confident54 Ų54103.8 Ų103.837%0.36553%0.529SS..  trans-71.1135177.3-170.80000111.1H37 T51H37-C53 VanDerWaalsContact CE1-SG 3.53Å; H37-C53 PolarHBondContact NE2-SG 3.1Å; T51-C53 PolarHBondContact O-N 2.97Å
54M77.1Confident75.6Confident181 Ų18198 Ų9889%0.89251%0.508SS*.  trans-97-4-178.5-54.2-15279.500114.4R56M54-R56 PolarHBondContact O-N 3.18Å
55D73.9Confident76.1Confident69 Ų6995.8 Ų95.837%0.36950%0.496SS..  trans-75.7114.2173.9-172.3-42.7000110.1N57 C58D55-N57 PolarHBondContact O-N 2.85Å; D55-N57 PolarHBondContact OD1-N 2.67Å; D55-C58 HydrophobicContact CB-CB 4.06Å; D55-C58 WeakPolarHBondContact O-CB 3.22Å; D55-C58 PolarHBondContact O-N 2.71Å; D55-C58 PolarHBondContact OD1-N 3.1Å
56R78.2Confident76.5Confident235 Ų23594.2 Ų94.289%0.88750%0.495SS*.THydrogen-bonded Turntrans-60.3-28.1-176.3-68.7-174.8173.5-164.5-2.7113.7M54M54-R56 PolarHBondContact O-N 3.18Å
57N79.8Confident77.1Confident89 Ų8988.9 Ų88.948%0.47648%0.477SS..THydrogen-bonded Turntrans-97.1-7.8-173.1-57.9-4.5000112L34 D55 G59 E60 I61L34-N57 HydrophobicContact CD1-CB 4.14Å; L34-N57 HydrophobicContact CD2-CB 3.66Å; D55-N57 PolarHBondContact O-N 2.85Å; D55-N57 PolarHBondContact OD1-N 2.67Å; N57-G59 VanDerWaalsContact C-N 3.3Å; N57-G59 PolarHBondContact O-N 2.89Å; N57-E60 PolarHBondContact O-N 3.43Å; N57-I61 PolarHBondContact O-N 3.05Å
58C88.8Confident77.7Confident4 Ų480.4 Ų80.43%0.02745%0.446CS..Hα-helixtrans-60.1-37.2179.5-176.90000112.6H37 D55 I61 R62H37-C58 PolarHBondContact CD2-SG 2.85Å; H37-C58 PolarHBondContact NE2-SG 3.23Å; D55-C58 HydrophobicContact CB-CB 4.06Å; D55-C58 WeakPolarHBondContact O-CB 3.22Å; D55-C58 PolarHBondContact O-N 2.71Å; D55-C58 PolarHBondContact OD1-N 3.1Å; C58-I61 PolarHBondContact O-N 3.13Å; C58-R62 WeakPolarHBondContact O-CB 3.46Å; C58-R62 VanDerWaalsContact O-CG 3.3Å; C58-R62 WeakPolarHBondContact O-CG 3.48Å; C58-R62 PolarHBondContact O-N 2.83Å
59G84.2Confident78.7Confident42 Ų4282.5 Ų82.543%0.43344%0.437SS..Hα-helixtrans-62.4-45.1179.300000113.8N57 R62 N63N57-G59 VanDerWaalsContact C-N 3.3Å; N57-G59 PolarHBondContact O-N 2.89Å; G59-R62 PolarHBondContact O-N 2.89Å; G59-N63 PolarHBondContact O-N 3.06Å; G59-N63 VanDerWaalsContact O-N 3.17Å; G59-N63 PolarHBondContact O-ND2 3.47Å
60E84.4Confident80.4Confident148 Ų14880.9 Ų80.969%0.69244%0.437SS*.Hα-helixtrans-65.2-44.1179.4-62.4-173.5165.600111.7N57 N63 L64N57-E60 PolarHBondContact O-N 3.43Å; E60-N63 PolarHBondContact O-N 2.63Å; E60-L64 PolarHBondContact O-N 2.78Å
61I89.2Confident81.8Confident21 Ų2176.9 Ų76.911%0.10840%0.402CS..Hα-helixtrans-71.4-34.7179.8-60-57.1000111.7L34 L35 A38 N57 C58 N63 L64 L65L34-I61 HydrophobicContact CD2-CD1 4.48Å; L34-I61 HydrophobicContact CD2-CG1 3.66Å; L34-I61 HydrophobicContact CG-CG1 3.91Å; L35-I61 HydrophobicContact CD2-CG2 3.66Å; L35-I61 HydrophobicContact CG-CG2 4.21Å; A38-I61 HydrophobicContact CB-CB 4.01Å; A38-I61 HydrophobicContact CB-CG2 3.62Å; N57-I61 PolarHBondContact O-N 3.05Å; C58-I61 PolarHBondContact O-N 3.13Å; I61-N63 VanDerWaalsContact C-N 3.29Å; I61-N63 PolarHBondContact O-N 3.13Å; I61-L64 HydrophobicContact CD1-CD2 4.42Å; I61-L64 WeakPolarHBondContact O-CB 3.29Å; I61-L64 PolarHBondContact O-N 2.87Å; I61-L65 WeakPolarHBondContact O-CG 3.16Å; I61-L65 PolarHBondContact O-N 2.88Å
62R89.1Confident82.8Confident45 Ų4581.1 Ų81.117%0.1743%0.428CS..Hα-helixtrans-60-37.8171.2-80.4-177.857-174.8-11.2112.3A38 C41 E42 E45 C58 G59 L64 L65 P66A38-R62 HydrophobicContact CB-CG 3.84Å; C41-R62 PolarHBondContact SG-NH1 3.4Å; C41-R62 VanDerWaalsContact SG-NH1 3.45Å; E42-R62 HydrophobicContact CB-CG 4.35Å; E45-R62 IonicContact OE1-CZ 2.72Å; E45-R62 IonicContact OE1-NH1 3.6Å; E45-R62 IonicContact OE1-NH2 2.7Å; E45-R62 PolarHBondContact OE1-NH2 3.47Å; E45-R62 IonicContact OE2-CZ 2.66Å; E45-R62 VanDerWaalsContact OE2-CZ 3.3Å; E45-R62 IonicContact OE2-NH1 3.84Å; E45-R62 PolarHBondContact OE2-NH1 2.76Å; E45-R62 IonicContact OE2-NH2 3.98Å; E45-R62 PolarHBondContact OE2-NH2 3.4Å; C58-R62 WeakPolarHBondContact O-CB 3.46Å; C58-R62 VanDerWaalsContact O-CG 3.3Å; C58-R62 WeakPolarHBondContact O-CG 3.48Å; C58-R62 PolarHBondContact O-N 2.83Å; G59-R62 PolarHBondContact O-N 2.89Å; R62-L64 VanDerWaalsContact C-N 3.29Å; R62-L64 PolarHBondContact O-N 3.43Å; R62-L65 PolarHBondContact O-N 3.47Å; R62-P66 WeakPolarHBondContact O-CD 3.22Å
63N86Confident83.6Confident136 Ų13680.3 Ų80.373%0.72741%0.413SS*.Hα-helixtrans-68.7-26.2173.8-68.8-26.3000113.1G59 E60 I61G59-N63 PolarHBondContact O-N 3.06Å; G59-N63 VanDerWaalsContact O-N 3.17Å; G59-N63 PolarHBondContact O-ND2 3.47Å; E60-N63 PolarHBondContact O-N 2.63Å; I61-N63 VanDerWaalsContact C-N 3.29Å; I61-N63 PolarHBondContact O-N 3.13Å
64L87.9Confident82.8Confident16 Ų1683.5 Ų83.58%0.08442%0.422CS..Hα-helixtrans-81.2-27.7177.8-174.860.1000113.3E60 I61 R62 H67 L68 V79 H81E60-L64 PolarHBondContact O-N 2.78Å; I61-L64 HydrophobicContact CD1-CD2 4.42Å; I61-L64 WeakPolarHBondContact O-CB 3.29Å; I61-L64 PolarHBondContact O-N 2.87Å; R62-L64 VanDerWaalsContact C-N 3.29Å; R62-L64 PolarHBondContact O-N 3.43Å; L64-H67 PolarHBondContact O-N 2.95Å; L64-H67 VanDerWaalsContact O-N 3.14Å; L64-L68 HydrophobicContact CD1-CG 4.45Å; L64-L68 HydrophobicContact CD2-CD1 4.23Å; L64-L68 HydrophobicContact CG-CD1 3.89Å; L64-L68 HydrophobicContact CG-CG 3.97Å; L64-L68 WeakPolarHBondContact O-CG 3.43Å; L64-L68 PolarHBondContact O-N 3.42Å; L64-V79 HydrophobicContact CD1-CG1 3.69Å; L64-H81 HydrophobicContact CD2-CB 4.21Å
65L89.4Confident82.2Confident5 Ų583.2 Ų83.23%0.02642%0.416CS..Hα-helixtrans-57.3-46-176.4-77.2170.9000114.8A38 D39 I61 R62 H67 L68 Q69A38-L65 HydrophobicContact CB-CD1 3.87Å; D39-L65 HydrophobicContact CB-CD1 3.78Å; D39-L65 HydrophobicContact CB-CD2 4.3Å; I61-L65 WeakPolarHBondContact O-CG 3.16Å; I61-L65 PolarHBondContact O-N 2.88Å; R62-L65 PolarHBondContact O-N 3.47Å; L65-H67 VanDerWaalsContact C-N 3.26Å; L65-H67 PolarHBondContact O-N 3.46Å; L65-L68 HydrophobicContact CD2-CD1 4.31Å; L65-L68 PolarHBondContact O-N 3.38Å; L65-Q69 WeakPolarHBondContact O-CG 3.43Å; L65-Q69 PolarHBondContact O-N 2.9Å; L65-Q69 VanDerWaalsContact O-N 3.1Å
66P87.1Confident82.2Confident63 Ų6387.1 Ų87.141%0.40943%0.432SS..Hα-helixtrans-59.6-35.7175.6-25.534.9000113R62 S70R62-P66 WeakPolarHBondContact O-CD 3.22Å; P66-S70 WeakPolarHBondContact O-CB 3.16Å; P66-S70 PolarHBondContact O-N 3.31Å; P66-S70 VanDerWaalsContact O-N 3.16Å; P66-S70 PolarHBondContact O-OG 3.46Å
67H90.5Very high82.4Confident55 Ų5576.7 Ų76.726%0.25540%0.395SS..Hα-helixtrans-71.8-40176-17477.1000111.9L64 L65 Q69 S70 C71 C77 V79 C82L64-H67 PolarHBondContact O-N 2.95Å; L64-H67 VanDerWaalsContact O-N 3.14Å; L65-H67 VanDerWaalsContact C-N 3.26Å; L65-H67 PolarHBondContact O-N 3.46Å; H67-Q69 PolarHBondContact O-N 2.91Å; H67-S70 PolarHBondContact O-N 3.19Å; H67-C71 WeakPolarHBondContact NE2-CB 3.47Å; H67-C71 WeakPolarHBondContact O-CB 3.48Å; H67-C71 PolarHBondContact O-N 2.79Å; H67-C77 PolarHBondContact NE2-SG 2.86Å; H67-V79 WeakPolarHBondContact NE2-CG2 3.43Å; H67-C82 PolarHBondContact CD2-SG 3.22Å
68L87Confident82.6Confident23 Ų2379.7 Ų79.712%0.1241%0.411CS..Hα-helixtrans-60.7-33.7176-72.1169.5000112.8L35 L64 L65 C82 K86L35-L68 HydrophobicContact CD2-CD1 3.84Å; L64-L68 HydrophobicContact CD1-CG 4.45Å; L64-L68 HydrophobicContact CD2-CD1 4.23Å; L64-L68 HydrophobicContact CG-CD1 3.89Å; L64-L68 HydrophobicContact CG-CG 3.97Å; L64-L68 WeakPolarHBondContact O-CG 3.43Å; L64-L68 PolarHBondContact O-N 3.42Å; L65-L68 HydrophobicContact CD2-CD1 4.31Å; L65-L68 PolarHBondContact O-N 3.38Å; L68-C82 WeakPolarHBondContact CD2-O 3.37Å; L68-K86 HydrophobicContact CD2-CB 4.44Å; L68-K86 HydrophobicContact CD2-CG 3.84Å
69Q82.5Confident82.2Confident118 Ų11882 Ų8255%0.55143%0.425SS*.Hα-helixtrans-79.1-35.1178.3-66.4179.81700113.5L65 H67L65-Q69 WeakPolarHBondContact O-CG 3.43Å; L65-Q69 PolarHBondContact O-N 2.9Å; L65-Q69 VanDerWaalsContact O-N 3.1Å; H67-Q69 PolarHBondContact O-N 2.91Å
70S84.1Confident81.9Confident84 Ų8484.5 Ų84.559%0.58743%0.433SS*.Hα-helixtrans-95.3-23.3-174.555.20000114.8P66 H67 T72P66-S70 WeakPolarHBondContact O-CB 3.16Å; P66-S70 PolarHBondContact O-N 3.31Å; P66-S70 VanDerWaalsContact O-N 3.16Å; P66-S70 PolarHBondContact O-OG 3.46Å; H67-S70 PolarHBondContact O-N 3.19Å; S70-T72 PolarHBondContact O-N 3.1Å
71C82.1Confident81.7Confident20 Ų2083.2 Ų83.214%0.13543%0.427CS..  trans-70.3121.6-178.6-177.80000111.1H67 K86H67-C71 WeakPolarHBondContact NE2-CB 3.47Å; H67-C71 WeakPolarHBondContact O-CB 3.48Å; H67-C71 PolarHBondContact O-N 2.79Å; C71-K86 VanDerWaalsContact O-CE 3.22Å; C71-K86 WeakPolarHBondContact O-CE 3.35Å; C71-K86 PolarHBondContact O-NZ 3.11Å; C71-K86 PolarHBondContact SG-NZ 3.1Å
72T81.5Confident81.6Confident127 Ų12782.2 Ų82.278%0.77942%0.422SS*.  trans-88-15177.1510000114S70 E74S70-T72 PolarHBondContact O-N 3.1Å; T72-E74 PolarHBondContact O-N 2.95Å
73R77.2Confident81.3Confident152 Ų15283.4 Ų83.457%0.57443%0.431SS*.  trans-68.5121.4-175.9-50.5-172.9-172.5-174.81.2111.1E76 C77 K86R73-E76 WeakPolarHBondContact CB-O 3.38Å; R73-E76 WeakPolarHBondContact CD-O 3.39Å; R73-C77 HydrophobicContact CB-CB 4.42Å; R73-K86 PolarHBondContact O-NZ 2.89Å
74E60Low81.1Confident120 Ų12079.3 Ų79.356%0.56141%0.413SS*.SBendtrans-88-32.7-172.6-61.4-135.4121.400114.4T72 R90T72-E74 PolarHBondContact O-N 2.95Å; E74-R90 IonicContact OE1-CZ 2.76Å; E74-R90 IonicContact OE1-NH1 2.76Å; E74-R90 PolarHBondContact OE1-NH1 3.35Å; E74-R90 IonicContact OE1-NH2 3.8Å; E74-R90 PolarHBondContact OE1-NH2 2.98Å; E74-R90 IonicContact OE2-NH1 3.94Å
75K63.7Low81.2Confident175 Ų17578.5 Ų78.576%0.76141%0.409SS*.SBendtrans-122.7-21.5-171-63.1-178.9-178176.60114
76E72.6Confident81Confident152 Ų15279.7 Ų79.771%0.7141%0.414SS*.  trans-137.8108.2-174.1-69173.3-165.200110.8R73R73-E76 WeakPolarHBondContact CB-O 3.38Å; R73-E76 WeakPolarHBondContact CD-O 3.39Å
77C82.9Confident80.9Confident16 Ų1684.2 Ų84.211%0.10842%0.424CS..  trans-145.7127.5175.3-173.90000110.5H67 R73 V79 C82 I83H67-C77 PolarHBondContact NE2-SG 2.86Å; R73-C77 HydrophobicContact CB-CB 4.42Å; C77-V79 VanDerWaalsContact C-N 3.27Å; C77-V79 PolarHBondContact O-N 3.41Å; C77-C82 HydrophobicContact CB-CB 4.48Å; C77-I83 HydrophobicContact CB-CG1 3.98Å
78N84Confident80.8Confident151 Ų15181.9 Ų81.981%0.80741%0.413SS*.  trans-81-3.1-173.3-57.827.5000113.5
79V81.3Confident80.7Confident53 Ų5381.6 Ų81.632%0.32141%0.411SS..SBendtrans-76.9124.5176.61760000109.2L64 H67 C77 H81 C82L64-V79 HydrophobicContact CD1-CG1 3.69Å; H67-V79 WeakPolarHBondContact NE2-CG2 3.43Å; C77-V79 VanDerWaalsContact C-N 3.27Å; C77-V79 PolarHBondContact O-N 3.41Å; V79-H81 PolarHBondContact O-N 2.98Å; V79-C82 HydrophobicContact CB-CB 3.94Å; V79-C82 HydrophobicContact CG1-CB 4.21Å; V79-C82 WeakPolarHBondContact O-CB 3.45Å; V79-C82 PolarHBondContact O-N 2.91Å; V79-C82 VanDerWaalsContact O-N 3.07Å
80P78.3Confident80.8Confident94 Ų9481.9 Ų81.961%0.6141%0.407SS*.THydrogen-bonded Turntrans-50.9138.3-178.3-3036.4000113C82P80-C82 PolarHBondContact O-N 2.88Å
81H79.2Confident81Confident122 Ų12280.1 Ų80.157%0.56539%0.389SS*.THydrogen-bonded Turntrans56.12-177.6-44.5-81000115.9L64 V79 I83 S84 S85L64-H81 HydrophobicContact CD2-CB 4.21Å; V79-H81 PolarHBondContact O-N 2.98Å; H81-I83 PolarHBondContact O-N 3.18Å; H81-S84 PolarHBondContact O-OG 2.68Å; H81-S85 WeakPolarHBondContact O-CB 3.35Å; H81-S85 PolarHBondContact O-N 2.82Å; H81-S85 PolarHBondContact O-OG 2.99Å
82C87.4Confident81.3Confident0 Ų081.7 Ų81.70%039%0.393CS..Hα-helixtrans-61.6-46.5-178.2176.90000111.6H67 L68 C77 V79 P80 K86H67-C82 PolarHBondContact CD2-SG 3.22Å; L68-C82 WeakPolarHBondContact CD2-O 3.37Å; C77-C82 HydrophobicContact CB-CB 4.48Å; V79-C82 HydrophobicContact CB-CB 3.94Å; V79-C82 HydrophobicContact CG1-CB 4.21Å; V79-C82 WeakPolarHBondContact O-CB 3.45Å; V79-C82 PolarHBondContact O-N 2.91Å; V79-C82 VanDerWaalsContact O-N 3.07Å; P80-C82 PolarHBondContact O-N 2.88Å; C82-K86 WeakPolarHBondContact O-CB 3.33Å; C82-K86 WeakPolarHBondContact O-CG 3.36Å; C82-K86 PolarHBondContact O-N 3.02Å
83I81.8Confident81.5Confident70 Ų7083.8 Ų83.836%0.35939%0.387SS..Hα-helixtrans-68.6-46.9-176.2-48.8173.8000110.7C77 H81 K86 Y87C77-I83 HydrophobicContact CB-CG1 3.98Å; H81-I83 PolarHBondContact O-N 3.18Å; I83-K86 WeakPolarHBondContact O-CB 3.19Å; I83-K86 PolarHBondContact O-N 3.02Å; I83-Y87 WeakPolarHBondContact O-CB 3.31Å; I83-Y87 PolarHBondContact O-N 3.09Å
84S82.4Confident81.5Confident49 Ų4981 Ų8134%0.34339%0.39SS..Hα-helixtrans-67-43.5179.550.70000112H81 K86 Y87 I88H81-S84 PolarHBondContact O-OG 2.68Å; S84-K86 PolarHBondContact O-N 3.05Å; S84-Y87 PolarHBondContact O-N 3.19Å; S84-I88 WeakPolarHBondContact O-CB 3.18Å; S84-I88 VanDerWaalsContact O-CG1 3.3Å; S84-I88 WeakPolarHBondContact O-CG1 3.45Å; S84-I88 PolarHBondContact O-N 2.8Å
85S89.4Confident82.4Confident0 Ų075.9 Ų75.90%037%0.368CS..Hα-helixtrans-67.3-35.3175.8-51.70000111.9Q31 H81 M89Q31-S85 PolarHBondContact NE2-OG 2.9Å; H81-S85 WeakPolarHBondContact O-CB 3.35Å; H81-S85 PolarHBondContact O-N 2.82Å; H81-S85 PolarHBondContact O-OG 2.99Å; S85-M89 VanDerWaalsContact O-CB 3.23Å; S85-M89 WeakPolarHBondContact O-CB 3.31Å; S85-M89 VanDerWaalsContact O-CG 3.29Å; S85-M89 WeakPolarHBondContact O-CG 3.1Å; S85-M89 PolarHBondContact O-N 3.35Å
86K86.9Confident82.8Confident30 Ų3070.6 Ų70.613%0.1336%0.363CS..Hα-helixtrans-62-46.2168.1-97.7175.9167.1176.10112L68 C71 R73 C82 I83 S84 M89 R90L68-K86 HydrophobicContact CD2-CB 4.44Å; L68-K86 HydrophobicContact CD2-CG 3.84Å; C71-K86 VanDerWaalsContact O-CE 3.22Å; C71-K86 WeakPolarHBondContact O-CE 3.35Å; C71-K86 PolarHBondContact O-NZ 3.11Å; C71-K86 PolarHBondContact SG-NZ 3.1Å; R73-K86 PolarHBondContact O-NZ 2.89Å; C82-K86 WeakPolarHBondContact O-CB 3.33Å; C82-K86 WeakPolarHBondContact O-CG 3.36Å; C82-K86 PolarHBondContact O-N 3.02Å; I83-K86 WeakPolarHBondContact O-CB 3.19Å; I83-K86 PolarHBondContact O-N 3.02Å; S84-K86 PolarHBondContact O-N 3.05Å; K86-M89 PolarHBondContact O-N 3.26Å; K86-R90 WeakPolarHBondContact O-CA 3.35Å; K86-R90 WeakPolarHBondContact O-CB 3.34Å; K86-R90 PolarHBondContact O-N 2.89Å
87Y84.1Confident82.9Confident158 Ų15867.4 Ų67.462%0.6235%0.351SS*.Hα-helixtrans-65.3-44.7-178.6-166.6-90.3000110.2I83 S84 R90 H91I83-Y87 WeakPolarHBondContact O-CB 3.31Å; I83-Y87 PolarHBondContact O-N 3.09Å; S84-Y87 PolarHBondContact O-N 3.19Å; Y87-R90 PolarHBondContact O-N 3.15Å; Y87-H91 WeakPolarHBondContact O-CB 3.33Å; Y87-H91 PolarHBondContact O-N 3.19Å
88I88.1Confident82.2Confident6 Ų669.3 Ų69.33%0.03136%0.359CS..Hα-helixtrans-61.8-44.8175.1-70.3168.4000111.5M28 Q31 L32 L35 S84 Y92M28-I88 HydrophobicContact CB-CD1 4.43Å; M28-I88 HydrophobicContact CE-CD1 4.44Å; M28-I88 HydrophobicContact CE-CG1 3.97Å; M28-I88 HydrophobicContact CG-CD1 4.42Å; Q31-I88 HydrophobicContact CB-CD1 4.32Å; Q31-I88 HydrophobicContact CG-CD1 4.33Å; L32-I88 HydrophobicContact CB-CG2 3.71Å; L32-I88 HydrophobicContact CD1-CG2 3.93Å; L32-I88 HydrophobicContact CG-CG2 4.29Å; L35-I88 HydrophobicContact CD1-CG2 4.39Å; S84-I88 WeakPolarHBondContact O-CB 3.18Å; S84-I88 VanDerWaalsContact O-CG1 3.3Å; S84-I88 WeakPolarHBondContact O-CG1 3.45Å; S84-I88 PolarHBondContact O-N 2.8Å; I88-Y92 VanDerWaalsContact O-CB 3.24Å; I88-Y92 WeakPolarHBondContact O-CB 3.4Å; I88-Y92 PolarHBondContact O-N 2.89Å
89M86.3Confident81.6Confident16 Ų1668.9 Ų68.98%0.07935%0.352CS..Hα-helixtrans-74.6-34.8178.5-73.9-65-77.800113.7L32 L35 L36 S85 K86 R93L32-M89 HydrophobicContact CD1-SD 3.95Å; L35-M89 HydrophobicContact CB-CG 4.44Å; L35-M89 HydrophobicContact CB-SD 4.01Å; L35-M89 HydrophobicContact CD1-CG 4.04Å; L35-M89 HydrophobicContact CD1-SD 4.49Å; L36-M89 HydrophobicContact CD2-CE 4.18Å; L36-M89 HydrophobicContact CD2-SD 4.44Å; S85-M89 VanDerWaalsContact O-CB 3.23Å; S85-M89 WeakPolarHBondContact O-CB 3.31Å; S85-M89 VanDerWaalsContact O-CG 3.29Å; S85-M89 WeakPolarHBondContact O-CG 3.1Å; S85-M89 PolarHBondContact O-N 3.35Å; K86-M89 PolarHBondContact O-N 3.26Å; M89-R93 WeakPolarHBondContact O-CB 3.47Å; M89-R93 WeakPolarHBondContact O-CD 3.23Å; M89-R93 WeakPolarHBondContact O-CG 3.46Å; M89-R93 PolarHBondContact O-N 3.09Å
90R84.5Confident81.6Confident124 Ų12467 Ų6747%0.46834%0.341SS..Hα-helixtrans-66.5-49173.5179.6178.9-69.9-161.4-7.2109.4E74 K86 Y87 R93 S94E74-R90 IonicContact OE1-CZ 2.76Å; E74-R90 IonicContact OE1-NH1 2.76Å; E74-R90 PolarHBondContact OE1-NH1 3.35Å; E74-R90 IonicContact OE1-NH2 3.8Å; E74-R90 PolarHBondContact OE1-NH2 2.98Å; E74-R90 IonicContact OE2-NH1 3.94Å; K86-R90 WeakPolarHBondContact O-CA 3.35Å; K86-R90 WeakPolarHBondContact O-CB 3.34Å; K86-R90 PolarHBondContact O-N 2.89Å; Y87-R90 PolarHBondContact O-N 3.15Å; R90-R93 CarbonylContact O-C 3.5Å; R90-R93 PolarHBondContact O-N 3.46Å; R90-R93 VanDerWaalsContact O-N 3.09Å; R90-S94 WeakPolarHBondContact O-CB 3.49Å; R90-S94 PolarHBondContact O-N 3.35Å; R90-S94 PolarHBondContact O-OG 3.36Å; R90-S94 VanDerWaalsContact O-OG 3.08Å
91H86.6Confident81.4Confident47 Ų4767.5 Ų67.522%0.21833%0.333CS..Hα-helixtrans-57.5-48.4172.7-179.267.6000110.7Y87 R93 S94 C95 C100 C103Y87-H91 WeakPolarHBondContact O-CB 3.33Å; Y87-H91 PolarHBondContact O-N 3.19Å; H91-R93 PolarHBondContact O-N 3.17Å; H91-S94 PolarHBondContact O-N 2.9Å; H91-C95 WeakPolarHBondContact O-CA 3.5Å; H91-C95 WeakPolarHBondContact O-CB 3.29Å; H91-C95 PolarHBondContact O-N 3.39Å; H91-C100 PolarHBondContact NE2-SG 3.42Å; H91-C103 PolarHBondContact CD2-SG 3.43Å
92Y88.9Confident81.3Confident54 Ų5462.3 Ų62.321%0.21231%0.31CS..Hα-helixtrans-61.6-27.6175.3-178.3-104000114.1L32 L36 I88 C103 I106 R107L32-Y92 HydrophobicContact CD1-CD1 4.11Å; L32-Y92 HydrophobicContact CD1-CD2 3.95Å; L32-Y92 HydrophobicContact CD1-CG 3.64Å; L32-Y92 HydrophobicContact CD2-CD2 3.53Å; L32-Y92 HydrophobicContact CD2-CE2 4.13Å; L32-Y92 HydrophobicContact CD2-CG 4.06Å; L32-Y92 HydrophobicContact CG-CD2 4.25Å; L32-Y92 HydrophobicContact CG-CG 4.43Å; L36-Y92 HydrophobicContact CD1-CD1 4.43Å; L36-Y92 HydrophobicContact CD1-CE1 3.84Å; L36-Y92 HydrophobicContact CD1-CE2 4.32Å; L36-Y92 HydrophobicContact CD2-CD1 4.29Å; L36-Y92 HydrophobicContact CD2-CE1 3.82Å; L36-Y92 HydrophobicContact CG-CE1 4.44Å; I88-Y92 VanDerWaalsContact O-CB 3.24Å; I88-Y92 WeakPolarHBondContact O-CB 3.4Å; I88-Y92 PolarHBondContact O-N 2.89Å; Y92-C103 HydrophobicContact CD2-CB 4.28Å; Y92-I106 HydrophobicContact CE2-CG2 4.25Å; Y92-R107 HydrophobicContact CE2-CG 3.71Å; Y92-R107 PolarHBondContact O-NH2 3.42Å
93R86Confident81.3Confident171 Ų17162.3 Ų62.365%0.64531%0.31SS*.Hα-helixtrans-83.1-32174.6-72.3168.6-177.3-171.30.8113.4M89 R90 H91M89-R93 WeakPolarHBondContact O-CB 3.47Å; M89-R93 WeakPolarHBondContact O-CD 3.23Å; M89-R93 WeakPolarHBondContact O-CG 3.46Å; M89-R93 PolarHBondContact O-N 3.09Å; R90-R93 CarbonylContact O-C 3.5Å; R90-R93 PolarHBondContact O-N 3.46Å; R90-R93 VanDerWaalsContact O-N 3.09Å; H91-R93 PolarHBondContact O-N 3.17Å
94S77.5Confident80.8Confident92 Ų9259.6 Ų59.664%0.64330%0.298SS*.Hα-helixtrans-106-12.1-174.375.40000114.8R90 H91 G96R90-S94 WeakPolarHBondContact O-CB 3.49Å; R90-S94 PolarHBondContact O-N 3.35Å; R90-S94 PolarHBondContact O-OG 3.36Å; R90-S94 VanDerWaalsContact O-OG 3.08Å; H91-S94 PolarHBondContact O-N 2.9Å; S94-G96 PolarHBondContact O-N 3.5Å
95C79Confident80.1Confident14 Ų1459.1 Ų59.110%0.09530%0.297CS..  trans-76.6107176.3-174.60000108.5H91 D97 C100 R107H91-C95 WeakPolarHBondContact O-CA 3.5Å; H91-C95 WeakPolarHBondContact O-CB 3.29Å; H91-C95 PolarHBondContact O-N 3.39Å; C95-D97 VanDerWaalsContact C-N 3.33Å; C95-D97 PolarHBondContact SG-O 3.31Å; C95-D97 VanDerWaalsContact SG-O 3.36Å; C95-C100 VanDerWaalsContact SG-CB 3.55Å; C95-C100 VanDerWaalsContact SG-SG 3.65Å; C95-R107 PolarHBondContact O-NH1 2.98Å; C95-R107 PolarHBondContact O-NH2 3.08Å
96G72.6Confident79Confident63 Ų6361.2 Ų61.265%0.64931%0.307SS*.  trans-81.1-16165.900000113S94 M98S94-G96 PolarHBondContact O-N 3.5Å; G96-M98 PolarHBondContact O-N 3.34Å
97D75Confident78.2Confident86 Ų8663 Ų6346%0.4631%0.313SS..  trans-66.8122.2178.4170.219.8000110.8C95 E99 C100C95-D97 VanDerWaalsContact C-N 3.33Å; C95-D97 PolarHBondContact SG-O 3.31Å; C95-D97 VanDerWaalsContact SG-O 3.36Å; D97-E99 WeakPolarHBondContact OD1-CA 3.5Å; D97-E99 PolarHBondContact OD1-N 3.01Å; D97-C100 HydrophobicContact CB-CB 4.04Å; D97-C100 VanDerWaalsContact CG-N 3.26Å; D97-C100 WeakPolarHBondContact O-CB 3.21Å; D97-C100 PolarHBondContact OD1-N 3.06Å; D97-C100 WeakPolarHBondContact OD2-CA 3.45Å; D97-C100 VanDerWaalsContact OD2-CB 3.24Å; D97-C100 WeakPolarHBondContact OD2-CB 3.26Å; D97-C100 PolarHBondContact OD2-N 2.94Å; D97-C100 VanDerWaalsContact OD2-N 3.09Å
98M68Low76.6Confident56 Ų5658.5 Ų58.528%0.27630%0.297SS..SBendtrans-95.5-11.9-176.3-70.6-82.5-85.300112.6G96 S104 P115 S116G96-M98 PolarHBondContact O-N 3.34Å; M98-S104 WeakPolarHBondContact O-CB 3.45Å; M98-P115 HydrophobicContact CB-CB 4.44Å; M98-P115 HydrophobicContact CE-CB 3.62Å; M98-P115 HydrophobicContact CE-CG 4.46Å; M98-S116 VanDerWaalsContact C-OG 3.22Å; M98-S116 VanDerWaalsContact CB-OG 3.28Å; M98-S116 WeakPolarHBondContact CB-OG 3.18Å
99E69.8Low74.2Confident141 Ų14160.3 Ų60.366%0.65931%0.309SS*.SBendtrans-86-31.4168-68.6-143.612300111.9D97 K101 S104 S116D97-E99 WeakPolarHBondContact OD1-CA 3.5Å; D97-E99 PolarHBondContact OD1-N 3.01Å; E99-K101 PolarHBondContact O-N 3.12Å; E99-S104 WeakPolarHBondContact O-CB 3.3Å; E99-S104 PolarHBondContact O-OG 2.98Å; E99-S116 VanDerWaalsContact CG-CB 3.43Å; E99-S116 WeakPolarHBondContact CG-OG 3.5Å; E99-S116 PolarHBondContact N-OG 2.7Å
100C82.2Confident71.7Confident14 Ų1467.9 Ų67.910%0.09535%0.348CS..  trans-23.4100.4177.4176.10000112.8H91 C95 D97 V102 C103 S104H91-C100 PolarHBondContact NE2-SG 3.42Å; C95-C100 VanDerWaalsContact SG-CB 3.55Å; C95-C100 VanDerWaalsContact SG-SG 3.65Å; D97-C100 HydrophobicContact CB-CB 4.04Å; D97-C100 VanDerWaalsContact CG-N 3.26Å; D97-C100 WeakPolarHBondContact O-CB 3.21Å; D97-C100 PolarHBondContact OD1-N 3.06Å; D97-C100 WeakPolarHBondContact OD2-CA 3.45Å; D97-C100 VanDerWaalsContact OD2-CB 3.24Å; D97-C100 WeakPolarHBondContact OD2-CB 3.26Å; D97-C100 PolarHBondContact OD2-N 2.94Å; D97-C100 VanDerWaalsContact OD2-N 3.09Å; C100-V102 CarbonylContact O-C 3.55Å; C100-V102 PolarHBondContact O-N 3.38Å; C100-C103 HydrophobicContact CB-CB 4.23Å; C100-C103 PolarHBondContact O-N 3.17Å; C100-S104 WeakPolarHBondContact O-CA 3.44Å; C100-S104 WeakPolarHBondContact O-CB 3.31Å; C100-S104 PolarHBondContact O-N 3.32Å; C100-S104 PolarHBondContact O-OG 2.73Å
101K74.7Confident69.2Low105 Ų10565.4 Ų65.446%0.45736%0.361SS..THydrogen-bonded Turntrans-55.3-16.1-169.8-67.1-94.7-152.9161.50115.4E22 M25 Q29 E99E22-K101 IonicContact OE1-NZ 3.29Å; E22-K101 PolarHBondContact OE1-NZ 3.46Å; E22-K101 IonicContact OE2-NZ 3.83Å; E22-K101 PolarHBondContact OE2-NZ 2.92Å; M25-K101 HydrophobicContact CB-CB 4.29Å; M25-K101 HydrophobicContact CE-CB 3.61Å; M25-K101 HydrophobicContact CE-CD 3.53Å; M25-K101 HydrophobicContact CE-CG 3.64Å; M25-K101 HydrophobicContact CG-CB 4.11Å; M25-K101 HydrophobicContact SD-CB 3.19Å; M25-K101 WeakPolarHBondContact SD-CB 3.32Å; M25-K101 HydrophobicContact SD-CD 4.25Å; M25-K101 HydrophobicContact SD-CG 3.65Å; Q29-K101 PolarHBondContact NE2-O 3.45Å; E99-K101 PolarHBondContact O-N 3.12Å
102V75.9Confident66.3Low13 Ų1369.3 Ų69.38%0.07938%0.383CS..THydrogen-bonded Turntrans-90.1-54.3173.3175.90000111.7M25 M28 Q29 C100M25-V102 HydrophobicContact CB-CG2 4.47Å; M25-V102 HydrophobicContact CG-CG2 4.34Å; M28-V102 HydrophobicContact CB-CB 4.39Å; M28-V102 HydrophobicContact CB-CG1 3.62Å; M28-V102 HydrophobicContact CB-CG2 3.9Å; M28-V102 HydrophobicContact CE-CG1 4.26Å; M28-V102 HydrophobicContact CE-CG2 4.07Å; M28-V102 HydrophobicContact CG-CG2 4.49Å; M28-V102 HydrophobicContact SD-CG2 3.84Å; Q29-V102 WeakPolarHBondContact CG-O 3.4Å; C100-V102 CarbonylContact O-C 3.55Å; C100-V102 PolarHBondContact O-N 3.38Å
103C86.8Confident63.3Low0 Ų070.9 Ų70.90%040%0.402CS..THydrogen-bonded Turntrans-72.5-31-178.2-64.40000112.3H91 Y92 C100 A105 I106 R107H91-C103 PolarHBondContact CD2-SG 3.43Å; Y92-C103 HydrophobicContact CD2-CB 4.28Å; C100-C103 HydrophobicContact CB-CB 4.23Å; C100-C103 PolarHBondContact O-N 3.17Å; C103-A105 VanDerWaalsContact C-N 3.34Å; C103-A105 PolarHBondContact O-N 2.88Å; C103-I106 PolarHBondContact O-N 3.27Å; C103-R107 WeakPolarHBondContact O-CB 3.12Å; C103-R107 WeakPolarHBondContact O-CG 3.43Å; C103-R107 PolarHBondContact O-N 3.47Å
104S73.3Confident60.8Low13 Ų1366.9 Ų66.99%0.09140%0.397CS..Hα-helixtrans-70.3-23.2-167.769.30000114.1M98 E99 C100 I106 K108M98-S104 WeakPolarHBondContact O-CB 3.45Å; E99-S104 WeakPolarHBondContact O-CB 3.3Å; E99-S104 PolarHBondContact O-OG 2.98Å; C100-S104 WeakPolarHBondContact O-CA 3.44Å; C100-S104 WeakPolarHBondContact O-CB 3.31Å; C100-S104 PolarHBondContact O-N 3.32Å; C100-S104 PolarHBondContact O-OG 2.73Å; S104-I106 VanDerWaalsContact C-N 3.26Å; S104-I106 PolarHBondContact O-N 2.96Å; S104-K108 WeakPolarHBondContact O-CA 3.3Å; S104-K108 WeakPolarHBondContact O-CB 3.33Å; S104-K108 WeakPolarHBondContact O-CD 3.47Å; S104-K108 WeakPolarHBondContact O-CE 3.36Å; S104-K108 PolarHBondContact O-N 3.43Å
105A66.6Low58.2Low39 Ų3963.2 Ų63.232%0.32237%0.371SS..Hα-helixtrans-74.5-13.7175.100000114.3Q29 C103 K108Q29-A105 HydrophobicContact CB-CB 4.22Å; Q29-A105 HydrophobicContact CG-CB 3.59Å; C103-A105 VanDerWaalsContact C-N 3.34Å; C103-A105 PolarHBondContact O-N 2.88Å; A105-K108 WeakPolarHBondContact O-CB 3.48Å
106I67.5Low55.8Low44 Ų4465.1 Ų65.123%0.22638%0.384CS..Hα-helixtrans-118.1-25.5-179.9-73.6159.3000111.6Q29 L32 A33 L36 Y92 C103 S104Q29-I106 WeakPolarHBondContact O-CD1 3.45Å; L32-I106 HydrophobicContact CB-CD1 3.76Å; L32-I106 HydrophobicContact CD2-CB 4.37Å; L32-I106 HydrophobicContact CD2-CD1 3.88Å; L32-I106 HydrophobicContact CG-CD1 3.71Å; A33-I106 HydrophobicContact CB-CD1 3.76Å; A33-I106 HydrophobicContact CB-CG1 4.41Å; L36-I106 HydrophobicContact CD1-CG2 3.64Å; Y92-I106 HydrophobicContact CE2-CG2 4.25Å; C103-I106 PolarHBondContact O-N 3.27Å; S104-I106 VanDerWaalsContact C-N 3.26Å; S104-I106 PolarHBondContact O-N 2.96Å
107R69.3Low53.7Low67 Ų6765.4 Ų65.425%0.25338%0.376SS..Hα-helixtrans-75.1-10.5158-63-172.6169.6-160.82.7112.4Y92 C95 C103 P109 P115Y92-R107 HydrophobicContact CE2-CG 3.71Å; Y92-R107 PolarHBondContact O-NH2 3.42Å; C95-R107 PolarHBondContact O-NH1 2.98Å; C95-R107 PolarHBondContact O-NH2 3.08Å; C103-R107 WeakPolarHBondContact O-CB 3.12Å; C103-R107 WeakPolarHBondContact O-CG 3.43Å; C103-R107 PolarHBondContact O-N 3.47Å; R107-P109 WeakPolarHBondContact O-CD 3.43Å; R107-P115 WeakPolarHBondContact O-CG 3.4Å
108K50.4Low51.5Low64 Ų6465.6 Ų65.628%0.27839%0.39SS..SBendtrans-60.4107.7157.5-119.4108.8-95.8-107.80106.2S104 A105 T114 P115S104-K108 WeakPolarHBondContact O-CA 3.3Å; S104-K108 WeakPolarHBondContact O-CB 3.33Å; S104-K108 WeakPolarHBondContact O-CD 3.47Å; S104-K108 WeakPolarHBondContact O-CE 3.36Å; S104-K108 PolarHBondContact O-N 3.43Å; A105-K108 WeakPolarHBondContact O-CB 3.48Å; K108-T114 HydrophobicContact CD-CG2 3.87Å; K108-T114 HydrophobicContact CG-CG2 3.38Å; K108-T114 VanDerWaalsContact NZ-CB 3.33Å; K108-T114 PolarHBondContact NZ-OG1 3.14Å; K108-P115 WeakPolarHBondContact CE-O 3.27Å; K108-P115 PolarHBondContact NZ-O 3.5Å
109P37.3Very low49.5Very low44 Ų4468.1 Ų68.129%0.28641%0.413SS..  trans-65.5166.5-17718.9-22.2000111.4R107 N112 P115R107-P109 WeakPolarHBondContact O-CD 3.43Å; P109-N112 CarbonylContact C-O 3.58Å; P109-N112 HydrophobicContact CB-CB 4.11Å; P109-N112 VanDerWaalsContact CB-O 3.27Å; P109-N112 WeakPolarHBondContact CB-O 3.3Å; P109-N112 HydrophobicContact CG-CB 3.85Å; P109-N112 WeakPolarHBondContact CG-O 3.46Å; P109-P115 VanDerWaalsContact CD-CD 3.45Å
110I33.4Very low47.2Very low174 Ų17466.3 Ų66.389%0.89242%0.416SS*.SBendtrans-121.792.2-177.6-59.9174.1000105.7N112I110-N112 PolarHBondContact N-O 3.02Å
111G33.5Very low44.5Very low72 Ų7272.5 Ų72.574%0.74245%0.453SS*.SBendtrans87.4106.5-159.500000109.5
112N25.4Very low42.1Very low129 Ų12972.7 Ų72.769%0.6947%0.468SS*.SBendtrans66.3138.9-135.4-169.70.5000110.6P109 I110P109-N112 CarbonylContact C-O 3.58Å; P109-N112 HydrophobicContact CB-CB 4.11Å; P109-N112 VanDerWaalsContact CB-O 3.27Å; P109-N112 WeakPolarHBondContact CB-O 3.3Å; P109-N112 HydrophobicContact CG-CB 3.85Å; P109-N112 WeakPolarHBondContact CG-O 3.46Å; I110-N112 PolarHBondContact N-O 3.02Å
113S25.2Very low40.4Very low87 Ų8776.9 Ų76.961%0.60850%0.497SS*.  trans-176.7118174.256.60000106.8
114T33.1Very low37.5Very low88 Ų8882.3 Ų82.354%0.5453%0.532SS..  cis-146.1155.124.273.30000113.1K108K108-T114 HydrophobicContact CD-CG2 3.87Å; K108-T114 HydrophobicContact CG-CG2 3.38Å; K108-T114 VanDerWaalsContact NZ-CB 3.33Å; K108-T114 PolarHBondContact NZ-OG1 3.14Å
115P23.5Very low35.5Very low15 Ų1588.3 Ų88.310%0.09756%0.558CS.*  trans-66.1164.4160.339.7-42000108.9M98 R107 K108 P109M98-P115 HydrophobicContact CB-CB 4.44Å; M98-P115 HydrophobicContact CE-CB 3.62Å; M98-P115 HydrophobicContact CE-CG 4.46Å; R107-P115 WeakPolarHBondContact O-CG 3.4Å; K108-P115 WeakPolarHBondContact CE-O 3.27Å; K108-P115 PolarHBondContact NZ-O 3.5Å; P109-P115 VanDerWaalsContact CD-CD 3.45Å
116S28.1Very low33.7Very low53 Ų5394.8 Ų94.837%0.37159%0.587SS.*  cis-91.1177.343-149.20000117.5M98 E99M98-S116 VanDerWaalsContact C-OG 3.22Å; M98-S116 VanDerWaalsContact CB-OG 3.28Å; M98-S116 WeakPolarHBondContact CB-OG 3.18Å; E99-S116 VanDerWaalsContact CG-CB 3.43Å; E99-S116 WeakPolarHBondContact CG-OG 3.5Å; E99-S116 PolarHBondContact N-OG 2.7Å
117S29.7Very low31.8Very low69 Ų6995.5 Ų95.548%0.48361%0.606SS.*  trans-83.4155.3152.255.80000111.5
118A27.7Very low29.8Very low90 Ų9098.6 Ų98.674%0.74463%0.627SS**  trans94.8133.6153.900000119.9
119S25.2Very low28.8Very low110 Ų110101.8 Ų101.877%0.76965%0.652SS**  trans78.4128.2150.4-57.70000120.6
120S22.8Very low28.5Very low103 Ų103104.5 Ų104.572%0.7267%0.672SS**  trans49110.715249.70000118.2
121V25.4Very low28.3Very low144 Ų144102.5 Ų102.587%0.87366%0.663SS**  53.2115.269.1-175.40000110
122S23.9Very low28.1Very low108 Ų108106.1 Ų106.176%0.75566%0.66SS**  cis-143.6175.444.962.60000116.4
123C39.5Very low28.4Very low102 Ų102108.1 Ų108.169%0.68966%0.663SS**  trans-49.8164.9158.3-1510000112.3
124P26.4Very low28.6Very low114 Ų114108.1 Ų108.174%0.7466%0.662SS**  -136.4158.1100.939.3-31.1000115.4
125Q31.8Very low28.2Very low139 Ų139110.5 Ų110.565%0.6567%0.672SS**  trans-73.7135.3157.2-60.5164.5-66.200109.1
126N29.1Very low28.3Very low174 Ų174116.1 Ų116.193%0.9370%0.7SS**SBendtrans-100.6120.6140.4-78.9-7.5000105.9
127G27.4Very low28.3Very low59 Ų59118.6 Ų118.661%0.60872%0.717SS**  cis179.8124.3-10.300000105.5
128L26.9Very low28.2Very low133 Ų133120.9 Ų120.970%0.69673%0.733SS**  46.1112.681.9-60.1175000110
129T29.1Very low28.3Very low131 Ų131123.8 Ų123.880%0.80474%0.735SS**  cis-149.5169.645.447.10000110.1
130S32.3Very low28.5Very low101 Ų101126.1 Ų126.171%0.70674%0.739SS**SBendcis-138.6164.131.573.70000111.7
131N29.1Very low28.8Very low132 Ų132124.6 Ų124.671%0.70674%0.74SS**SBendcis-130150.528.4-128.4-17.2000116.2
132H29Very low28.8Very low147 Ų147126 Ų12668%0.68174%0.741SS**SBendtrans61.188.8170.4-64.6-52.9000121.2
133K31.7Very low29.4Very low172 Ų172130.2 Ų130.275%0.74875%0.745SS**  72112.7126.7-69-173.2174.7-176.40117.9
134S28.1Very low28.8Very low86 Ų86133.7 Ų133.760%0.60176%0.756SS**  72.2133.162.5780000113.6
135D26.2Very low29Very low138 Ų138132.6 Ų132.674%0.73875%0.75SS**  cis-166.7161.8-3.2-111-26.3000112.9
136I25.2Very low28.8Very low134 Ų134133.1 Ų133.169%0.68776%0.758SS**  trans44.9101.8139.5-58.2168.1000119.8
137S27.4Very low29.5Very low104 Ų104130.2 Ų130.273%0.72775%0.751SS**  53.7150.2114.6-42.80000125.4
138S27.5Very low30.3Very low117 Ų117133.1 Ų133.182%0.81876%0.759SS**  trans101.1146141.4-63.60000120.6
139L31.3Very low30.9Very low152 Ų152134.6 Ų134.680%0.79677%0.767SS**  trans-93.3139.4-171.4-79.765.9000113.4
140N29.1Very low31.9Very low158 Ų158133 Ų13385%0.84576%0.759SS**  169.4136116.5-84-43.8000107.8
141G28.7Very low32Very low72 Ų72136 Ų13674%0.74276%0.762SS**  86.6129.777.500000109.6
142I25.5Very low32.2Very low174 Ų174137 Ų13789%0.89276%0.762SS**  cis-145.9166.821.2-72.5171.1000110.3
143K37.1Very low32.3Very low195 Ų195139.2 Ų139.285%0.84877%0.769SS**  trans-68.6148.2-178.8-42.8167.4-178.5177.20115
144I25.9Very low32.3Very low176 Ų176136.4 Ų136.490%0.90377%0.767SS**  trans-146.4167.2135.7-66.6-162.2000107.3
145S30.3Very low32.5Very low90 Ų90135.8 Ų135.863%0.62977%0.767SS**  trans-125.5168.8-16462.30000117.2
146D28.4Very low32.7Very low150 Ų150138.5 Ų138.580%0.80277%0.773SS**  trans84.3150.8153.3-54-50.6000123.1
147S42.8Very low32.9Very low114 Ų114137.8 Ų137.880%0.79778%0.775SS**  trans-82.4170.9-163.3-60.70000114.4
148P45.7Very low33Very low120 Ų120139.3 Ų139.378%0.77978%0.779SS**  cis-148.5-161.740.342.2-18000118.1
149L39.5Very low33.1Very low163 Ų163136.7 Ų136.785%0.85377%0.771SS**  trans-137.3-162.4-173.2-55.2174.1000109.2
150P49.9Very low33.1Very low98 Ų98135.2 Ų135.264%0.63677%0.771SS**  cis-143.3-153.9-2.436.7-10.8000115.4
151H33.8Very low33Very low165 Ų165132.1 Ų132.176%0.76476%0.761SS**  trans82.2151.2158.9-64.3-31.7000120.5
152Q32.8Very low33.2Very low151 Ų151137.1 Ų137.171%0.70676%0.764SS**  cis-151.9163.5-3.8-136.3-170.141.400113.7
153K31.9Very low33.5Very low194 Ų194133.1 Ų133.184%0.84375%0.752SS**  trans-128.6142.3140.6-156.4178.1-173.8-177.20108.9
154T32Very low33.4Very low114 Ų114131.8 Ų131.870%0.69975%0.749SS**  trans-53164.6-177.349.60000116.7
155A31.2Very low33.7Very low72 Ų72128.5 Ų128.560%0.59574%0.739SS**  cis178.8-178.9-19.400000109.9
156F31.1Very low33.5Very low196 Ų196128 Ų12886%0.8673%0.732SS**  trans73.8115.4164.1-74.3-83.5000121.3
157T29.1Very low33.3Very low119 Ų119128.3 Ų128.373%0.7373%0.733SS**  trans53.689.9132.4-48.20000120.2
158T29.7Very low32.4Very low135 Ų135127.9 Ų127.983%0.82873%0.725SS**  -159.3121.911720.50000111.2
159G29.3Very low31.4Very low63 Ų63129 Ų12965%0.64972%0.724SS**  -84.3176.1126.100000108.1
160P31.7Very low30.7Very low121 Ų121127.8 Ų127.879%0.78672%0.718SS**  cis-127-151.633.842.9-28.9000111.7
161C26.9Very low29.5Very low93 Ų93125.8 Ų125.863%0.62872%0.715SS**  trans5998.3164.3-68.60000115.5
162E33.5Very low29Very low176 Ų176126.2 Ų126.282%0.82272%0.718SS**  87.2128.883-81.5165.916800111.5
163S30.3Very low28.6Very low90 Ų90128.1 Ų128.163%0.62972%0.724SS**  cis-162.7167.8-6.654.10000111.9
164Q35.2Very low28.1Very low168 Ų168126 Ų12679%0.78572%0.722SS**  trans-58.3124.2142.1-143.8-167.434.800107T166Q164-T166 VanDerWaalsContact CD-OG1 3.22Å; Q164-T166 VanDerWaalsContact CG-OG1 3.31Å; Q164-T166 WeakPolarHBondContact CG-OG1 3.29Å; Q164-T166 PolarHBondContact OE1-OG1 3.39Å
165P32.5Very low27.8Very low107 Ų107130.4 Ų130.470%0.69573%0.726SS**  -128.2138.496.55.516.3000112
166T26.2Very low27.5Very low78 Ų78133.3 Ų133.348%0.47974%0.736SS.*  cis74.795.749.3-61.60000111Q164Q164-T166 VanDerWaalsContact CD-OG1 3.22Å; Q164-T166 VanDerWaalsContact CG-OG1 3.31Å; Q164-T166 WeakPolarHBondContact CG-OG1 3.29Å; Q164-T166 PolarHBondContact OE1-OG1 3.39Å
167L23.6Very low27.4Very low157 Ų157128.6 Ų128.682%0.82273%0.725SS**  trans66.4178.4152.1-44170000113.8
168V25.5Very low27.2Very low105 Ų105130.8 Ų130.864%0.63673%0.731SS**  cis-161.7148-10.491.60000108.1
169L24.4Very low27.4Very low143 Ų143131.8 Ų131.875%0.74973%0.726SS**  trans59.1153.6165.2-56168.7000115.3
170N24.1Very low27.4Very low138 Ų138136.3 Ų136.374%0.73873%0.73SS**  cis-137160.9-12-108.7-23.2000107.1
171G23.8Very low27.8Very low56 Ų56134.9 Ų134.958%0.57772%0.723SS**  cis103.3115.92500000108.7
172E23.3Very low29.2Very low174 Ų174139.2 Ų139.281%0.81373%0.727SS**  trans55.3100.6168.4-53.9-167121.800118.8
173F25Very low31Very low191 Ų191131.9 Ų131.984%0.83869%0.692SS**  -129.955.4128.2-98.4-65.8000110.6R175F173-R175 HydrophobicContact CD1-CG 4.36Å; F173-R175 PolarHBondContact O-N 2.83Å
174N21.8Very low33.3Very low150 Ų150130.9 Ų130.980%0.80268%0.683SS**  trans-75.665.7171-135.42.9000109.4V176N174-V176 PolarHBondContact O-N 3.19Å
175R24.7Very low35.2Very low206 Ų206128.1 Ų128.178%0.77767%0.673SS**  trans-62.7105.7167.2-79.2-172.5172.2-164.2-1.7107.4F173 P177F173-R175 HydrophobicContact CD1-CG 4.36Å; F173-R175 PolarHBondContact O-N 2.83Å; R175-P177 VanDerWaalsContact C-CD 3.44Å; R175-P177 WeakPolarHBondContact O-CD 3.23Å
176V26.8Very low37.2Very low134 Ų134130.2 Ų130.281%0.81267%0.674SS**  trans-82.4110.7157.4178.30000107.9N174N174-V176 PolarHBondContact O-N 3.19Å
177P27.1Very low39.7Very low96 Ų96130.3 Ų130.362%0.62367%0.669SS**  trans-130.4108.3145.835.5-23.8000110.5R175R175-P177 VanDerWaalsContact C-CD 3.44Å; R175-P177 WeakPolarHBondContact O-CD 3.23Å
178L26.8Very low42.8Very low165 Ų165125 Ų12586%0.86464%0.638SS**SBendtrans57129149.2-60.9166.4000119.5
179H32.7Very low45.4Very low157 Ų157124.7 Ų124.773%0.72763%0.63SS**  trans72.191.4145.8-167.9-57.2000117.9
180E29.8Very low47.9Very low157 Ų157123.7 Ų123.773%0.73463%0.625SS**  trans-138.1102.3162.6-162.5121.7-108.600113.9R182E180-R182 HydrophobicContact CG-CB 4.31Å; E180-R182 VanDerWaalsContact OE1-CD 3.29Å; E180-R182 WeakPolarHBondContact OE1-CD 3.46Å
181S40.3Very low50.6Low91 Ų91118 Ų11864%0.63660%0.596SS**  trans-127.242.7147.869.60000109.3T238S181-T238 PolarHBondContact O-OG1 2.79Å
182R56.7Low53.5Low185 Ų185116.8 Ų116.870%0.69858%0.576SS**PPolyproline II helixtrans-71.7144.6177-76-175.1164.3170.2-3.1110.4E180 T184E180-R182 HydrophobicContact CG-CB 4.31Å; E180-R182 VanDerWaalsContact OE1-CD 3.29Å; E180-R182 WeakPolarHBondContact OE1-CD 3.46Å; R182-T184 PolarHBondContact O-N 2.84Å
183I70.3Confident56.1Low21 Ų21114 Ų11411%0.10856%0.561CS.*PPolyproline II helixtrans-59.1132.3166.7-80.4163.3000109.4Q187 R188 F232 T238 Y241I183-Q187 HydrophobicContact CG2-CB 4.24Å; I183-R188 HydrophobicContact CG2-CG 3.28Å; I183-F232 HydrophobicContact CB-CE2 4.21Å; I183-F232 HydrophobicContact CG2-CE2 4.19Å; I183-T238 HydrophobicContact CD1-CG2 4.22Å; I183-T238 HydrophobicContact CG1-CG2 3.68Å; I183-Y241 HydrophobicContact CD1-CD1 3.36Å; I183-Y241 HydrophobicContact CD1-CD2 4.24Å; I183-Y241 HydrophobicContact CD1-CE1 4.17Å; I183-Y241 HydrophobicContact CD1-CG 3.39Å
184T78.3Confident58.6Low69 Ų69111.5 Ų111.542%0.42355%0.55SS.*PPolyproline II helixtrans-83.1149.7171.567.60000110.7R182 Q186 Q187 R188R182-T184 PolarHBondContact O-N 2.84Å; T184-Q186 PolarHBondContact O-N 2.84Å; T184-Q186 VanDerWaalsContact O-N 3.12Å; T184-Q187 VanDerWaalsContact N-OE1 3.16Å; T184-Q187 WeakPolarHBondContact O-CB 3.3Å; T184-Q187 PolarHBondContact O-N 3.01Å; T184-Q187 WeakPolarHBondContact OG1-CG 3.38Å; T184-Q187 PolarHBondContact OG1-N 2.64Å; T184-R188 PolarHBondContact O-N 2.73Å
185D75Confident61.7Low110 Ų110104.8 Ų104.859%0.58851%0.514SS*.Hα-helixtrans-58.9-28.3177.6-73.4-50.1000112.8Q187 R188 E189D185-Q187 PolarHBondContact O-N 3.49Å; D185-R188 WeakPolarHBondContact O-CB 3.44Å; D185-R188 PolarHBondContact O-N 3.23Å; D185-R188 IonicContact OD1-CZ 3.17Å; D185-R188 IonicContact OD1-NH1 3.65Å; D185-R188 PolarHBondContact OD1-NH1 2.97Å; D185-E189 WeakPolarHBondContact O-CB 3.04Å; D185-E189 PolarHBondContact O-N 2.78Å
186Q74.6Confident64.4Low152 Ų15295.4 Ų95.471%0.7148%0.479SS*.Hα-helixtrans-65.5-35.3173.9-162.3177.644.600112.6T184 L190T184-Q186 PolarHBondContact O-N 2.84Å; T184-Q186 VanDerWaalsContact O-N 3.12Å; Q186-L190 PolarHBondContact O-N 3.29Å; Q186-L190 VanDerWaalsContact O-N 3.16Å
187Q78.9Confident66.7Low80 Ų8093 Ų9337%0.37446%0.462SS..Hα-helixtrans-69.6-38.5172.5-73.9169.3-15.400111.7I183 T184 D185 L190 A191 F242I183-Q187 HydrophobicContact CG2-CB 4.24Å; T184-Q187 VanDerWaalsContact N-OE1 3.16Å; T184-Q187 WeakPolarHBondContact O-CB 3.3Å; T184-Q187 PolarHBondContact O-N 3.01Å; T184-Q187 WeakPolarHBondContact OG1-CG 3.38Å; T184-Q187 PolarHBondContact OG1-N 2.64Å; D185-Q187 PolarHBondContact O-N 3.49Å; Q187-L190 PolarHBondContact O-N 2.83Å; Q187-A191 PolarHBondContact O-N 3.02Å; Q187-F242 HydrophobicContact CB-CZ 4.24Å
188R88.7Confident69Low44 Ų4491 Ų9117%0.16645%0.446CS..Hα-helixtrans-63.6-47.3175-60.9175.456.2-139-5.9111.7I183 T184 D185 L190 A191 M192 E228 F232 Y241I183-R188 HydrophobicContact CG2-CG 3.28Å; T184-R188 PolarHBondContact O-N 2.73Å; D185-R188 WeakPolarHBondContact O-CB 3.44Å; D185-R188 PolarHBondContact O-N 3.23Å; D185-R188 IonicContact OD1-CZ 3.17Å; D185-R188 IonicContact OD1-NH1 3.65Å; D185-R188 PolarHBondContact OD1-NH1 2.97Å; R188-L190 VanDerWaalsContact C-N 3.28Å; R188-L190 PolarHBondContact O-N 3.42Å; R188-A191 WeakPolarHBondContact O-CB 3.35Å; R188-A191 PolarHBondContact O-N 3.43Å; R188-A191 VanDerWaalsContact O-N 3.16Å; R188-M192 WeakPolarHBondContact O-CB 3.45Å; R188-M192 PolarHBondContact O-N 2.84Å; R188-E228 IonicContact CZ-OE1 3.31Å; R188-E228 IonicContact CZ-OE2 2.71Å; R188-E228 IonicContact NE-OE1 2.72Å; R188-E228 PolarHBondContact NE-OE1 3.27Å; R188-E228 IonicContact NE-OE2 3.56Å; R188-E228 VanDerWaalsContact NH2-CD 3.32Å; R188-E228 IonicContact NH2-OE1 2.66Å; R188-E228 PolarHBondContact NH2-OE1 3.28Å; R188-E228 VanDerWaalsContact NH2-OE1 3.1Å; R188-E228 IonicContact NH2-OE2 3.83Å; R188-E228 PolarHBondContact NH2-OE2 2.94Å; R188-F232 HydrophobicContact CG-CD2 4.39Å; R188-Y241 WeakPolarHBondContact CA-OH 3.18Å
189E79.7Confident71.5Confident100 Ų10083.2 Ų83.247%0.46741%0.405SS..Hα-helixtrans-63.3-36.3179.5-158.2-169.4150.300111.5D185 K193D185-E189 WeakPolarHBondContact O-CB 3.04Å; D185-E189 PolarHBondContact O-N 2.78Å; E189-K193 HydrophobicContact CG-CD 4.39Å; E189-K193 VanDerWaalsContact O-CB 3.26Å; E189-K193 WeakPolarHBondContact O-CB 3.31Å; E189-K193 WeakPolarHBondContact O-CG 3.24Å; E189-K193 PolarHBondContact O-N 3.3Å; E189-K193 WeakPolarHBondContact OE1-CE 3.26Å; E189-K193 IonicContact OE1-NZ 2.64Å; E189-K193 PolarHBondContact OE1-NZ 3.26Å
190L78.3Confident73.4Confident122 Ų12276.2 Ų76.264%0.63937%0.374SS*.Hα-helixtrans-63.3-46.9171.7-118.778.9000112.4Q186 Q187 R188 M192 K194Q186-L190 PolarHBondContact O-N 3.29Å; Q186-L190 VanDerWaalsContact O-N 3.16Å; Q187-L190 PolarHBondContact O-N 2.83Å; R188-L190 VanDerWaalsContact C-N 3.28Å; R188-L190 PolarHBondContact O-N 3.42Å; L190-M192 VanDerWaalsContact C-N 3.35Å; L190-M192 PolarHBondContact O-N 2.81Å; L190-K194 WeakPolarHBondContact O-CB 3.39Å; L190-K194 PolarHBondContact O-N 3.26Å
191A80.1Confident75.2Confident17 Ų1773.6 Ų73.614%0.1436%0.364CS..Hα-helixtrans-59-47.6178.100000111.2Q187 R188 K194 F195 Y241 F242 M245Q187-A191 PolarHBondContact O-N 3.02Å; R188-A191 WeakPolarHBondContact O-CB 3.35Å; R188-A191 PolarHBondContact O-N 3.43Å; R188-A191 VanDerWaalsContact O-N 3.16Å; A191-K194 PolarHBondContact O-N 3.32Å; A191-F195 PolarHBondContact O-N 3.31Å; A191-Y241 HydrophobicContact CB-CE1 4.04Å; A191-F242 HydrophobicContact CB-CD1 4.38Å; A191-F242 HydrophobicContact CB-CE1 3.9Å; A191-M245 HydrophobicContact CB-SD 4.37Å
192M84.8Confident76.5Confident31 Ų3169.9 Ų69.915%0.15334%0.339CS..Hα-helixtrans-70.4-40.5-177.5-154-167.676.900112.2R188 L190 K194 F195 V196 V224 K225 E228R188-M192 WeakPolarHBondContact O-CB 3.45Å; R188-M192 PolarHBondContact O-N 2.84Å; L190-M192 VanDerWaalsContact C-N 3.35Å; L190-M192 PolarHBondContact O-N 2.81Å; M192-K194 VanDerWaalsContact C-N 3.31Å; M192-K194 PolarHBondContact O-N 3.02Å; M192-F195 PolarHBondContact O-N 2.57Å; M192-V196 WeakPolarHBondContact O-CB 3.48Å; M192-V196 VanDerWaalsContact O-CG2 3.29Å; M192-V196 WeakPolarHBondContact O-CG2 3.26Å; M192-V196 PolarHBondContact O-N 3.21Å; M192-V224 HydrophobicContact CG-CG1 3.78Å; M192-K225 HydrophobicContact CE-CD 4.48Å; M192-K225 HydrophobicContact CE-CG 3.65Å; M192-K225 HydrophobicContact SD-CB 4.32Å; M192-K225 HydrophobicContact SD-CG 3.6Å; M192-K225 VanDerWaalsContact SD-CG 3.6Å; M192-E228 HydrophobicContact CB-CG 4.32Å; M192-E228 HydrophobicContact CG-CB 4.15Å; M192-E228 HydrophobicContact CG-CG 4.15Å; M192-E228 HydrophobicContact SD-CB 4.24Å; M192-E228 HydrophobicContact SD-CG 4.37Å
193K78Confident77Confident117 Ų11761.2 Ų61.251%0.50931%0.306SS..Hα-helixtrans-59.9-41172.4-83.2175.3176165.80111.9E189 V196 N197E189-K193 HydrophobicContact CG-CD 4.39Å; E189-K193 VanDerWaalsContact O-CB 3.26Å; E189-K193 WeakPolarHBondContact O-CB 3.31Å; E189-K193 WeakPolarHBondContact O-CG 3.24Å; E189-K193 PolarHBondContact O-N 3.3Å; E189-K193 WeakPolarHBondContact OE1-CE 3.26Å; E189-K193 IonicContact OE1-NZ 2.64Å; E189-K193 PolarHBondContact OE1-NZ 3.26Å; K193-V196 PolarHBondContact O-N 3.19Å; K193-N197 PolarHBondContact O-N 3.02Å
194K78Confident76.4Confident138 Ų13861.7 Ų61.760%0.631%0.307SS*.Hα-helixtrans-64.3-50177.6-171.8174.1-178.7-175.90111.5L190 A191 M192 V196 N197 D198L190-K194 WeakPolarHBondContact O-CB 3.39Å; L190-K194 PolarHBondContact O-N 3.26Å; A191-K194 PolarHBondContact O-N 3.32Å; M192-K194 VanDerWaalsContact C-N 3.31Å; M192-K194 PolarHBondContact O-N 3.02Å; K194-V196 VanDerWaalsContact C-N 3.3Å; K194-V196 PolarHBondContact O-N 3.33Å; K194-N197 PolarHBondContact O-N 2.72Å; K194-D198 WeakPolarHBondContact CG-OD2 3.43Å; K194-D198 WeakPolarHBondContact O-CB 3.38Å; K194-D198 VanDerWaalsContact O-CG 3.23Å; K194-D198 PolarHBondContact O-N 3.29Å
195F85.8Confident74.9Confident9 Ų962.4 Ų62.44%0.03931%0.313CS..Hα-helixtrans-53.7-45.6175.1-167.9-71.3000112.4A191 M192 I199 F220 V224 M227 M245 H248 Y249 I252A191-F195 PolarHBondContact O-N 3.31Å; M192-F195 PolarHBondContact O-N 2.57Å; F195-I199 HydrophobicContact CD1-CD1 4.12Å; F195-I199 HydrophobicContact CE1-CD1 3.59Å; F195-I199 HydrophobicContact CE1-CG1 4.47Å; F195-I199 HydrophobicContact CZ-CD1 4.01Å; F195-I199 PolarHBondContact O-N 2.65Å; F195-F220 HydrophobicContact CE1-CZ 4.44Å; F195-V224 HydrophobicContact CD1-CB 4.46Å; F195-V224 HydrophobicContact CD1-CG1 3.68Å; F195-V224 HydrophobicContact CD1-CG2 3.82Å; F195-V224 HydrophobicContact CE1-CG1 4.13Å; F195-V224 HydrophobicContact CE1-CG2 3.65Å; F195-V224 HydrophobicContact CG-CG1 4.23Å; F195-M227 HydrophobicContact CD1-CE 4.42Å; F195-M227 HydrophobicContact CD2-CE 4.16Å; F195-M227 HydrophobicContact CE1-CE 3.94Å; F195-M227 HydrophobicContact CE1-SD 4.39Å; F195-M227 HydrophobicContact CE2-CE 3.62Å; F195-M227 HydrophobicContact CE2-SD 4.04Å; F195-M227 HydrophobicContact CZ-CE 3.51Å; F195-M227 HydrophobicContact CZ-SD 3.65Å; F195-M245 HydrophobicContact CD2-CE 3.3Å; F195-M245 HydrophobicContact CE2-CE 3.55Å; F195-M245 HydrophobicContact CG-CE 4.15Å; F195-H248 HydrophobicContact CE2-CB 4.13Å; F195-H248 HydrophobicContact CZ-CB 4.43Å; F195-Y249 HydrophobicContact CD2-CD2 4.47Å; F195-Y249 VanDerWaalsContact CE2-N 3.31Å; F195-I252 HydrophobicContact CE1-CD1 4.21Å; F195-I252 HydrophobicContact CZ-CD1 3.91Å
196V80.6Confident73.5Confident9 Ų962 Ų626%0.05532%0.315CS..Hα-helixtrans-63.9-46.1179.9165.20000111.9M192 K193 K194 S200 Y212 L221 V224M192-V196 WeakPolarHBondContact O-CB 3.48Å; M192-V196 VanDerWaalsContact O-CG2 3.29Å; M192-V196 WeakPolarHBondContact O-CG2 3.26Å; M192-V196 PolarHBondContact O-N 3.21Å; K193-V196 PolarHBondContact O-N 3.19Å; K194-V196 VanDerWaalsContact C-N 3.3Å; K194-V196 PolarHBondContact O-N 3.33Å; V196-S200 VanDerWaalsContact O-CB 3.27Å; V196-S200 WeakPolarHBondContact O-CB 3.21Å; V196-S200 PolarHBondContact O-N 3.46Å; V196-S200 PolarHBondContact O-OG 3.49Å; V196-Y212 HydrophobicContact CG1-CE1 4.06Å; V196-L221 HydrophobicContact CB-CD2 4.3Å; V196-L221 HydrophobicContact CG1-CD2 3.49Å; V196-L221 VanDerWaalsContact CG1-CD2 3.49Å; V196-L221 HydrophobicContact CG2-CD2 3.73Å; V196-V224 HydrophobicContact CG2-CB 4.33Å; V196-V224 HydrophobicContact CG2-CG1 3.93Å
197N76.9Confident72Confident83 Ų8358.7 Ų58.744%0.44431%0.313SS..Hα-helixtrans-66-47.4178.2-86.50.8000112.2K193 K194 I199 S200 L201 Y212K193-N197 PolarHBondContact O-N 3.02Å; K194-N197 PolarHBondContact O-N 2.72Å; N197-I199 PolarHBondContact O-N 3.33Å; N197-S200 PolarHBondContact O-N 3.13Å; N197-S200 PolarHBondContact O-OG 3.2Å; N197-L201 WeakPolarHBondContact O-CG 3.4Å; N197-L201 PolarHBondContact O-N 3.28Å; N197-L201 VanDerWaalsContact O-N 3.17Å; N197-Y212 PolarHBondContact OD1-OH 3.43Å; N197-Y212 VanDerWaalsContact OD1-OH 3.12Å
198D74.4Confident70.7Confident55 Ų5558.4 Ų58.429%0.29431%0.314SS..Hα-helixtrans-64.9-27.6-174.4-66.1-12000111.3K194 S202 Y249K194-D198 WeakPolarHBondContact CG-OD2 3.43Å; K194-D198 WeakPolarHBondContact O-CB 3.38Å; K194-D198 VanDerWaalsContact O-CG 3.23Å; K194-D198 PolarHBondContact O-N 3.29Å; D198-S202 PolarHBondContact O-OG 3.49Å; D198-S202 VanDerWaalsContact O-OG 3.07Å; D198-Y249 HydrophobicContact CB-CD2 4.32Å; D198-Y249 HydrophobicContact CB-CE2 3.42Å; D198-Y249 VanDerWaalsContact CB-CE2 3.42Å
199I78.5Confident68.9Low0 Ų061.5 Ų61.50%034%0.34CS..Hα-helixtrans-92.6-31.7172.6-57.6-167.4000113.5F195 N197 L201 S202 I203 F220 Y249 I252 L256F195-I199 HydrophobicContact CD1-CD1 4.12Å; F195-I199 HydrophobicContact CE1-CD1 3.59Å; F195-I199 HydrophobicContact CE1-CG1 4.47Å; F195-I199 HydrophobicContact CZ-CD1 4.01Å; F195-I199 PolarHBondContact O-N 2.65Å; N197-I199 PolarHBondContact O-N 3.33Å; I199-L201 VanDerWaalsContact C-N 3.26Å; I199-L201 PolarHBondContact O-N 3.4Å; I199-S202 WeakPolarHBondContact O-CA 3.35Å; I199-S202 WeakPolarHBondContact O-CB 3.38Å; I199-S202 PolarHBondContact O-N 3.44Å; I199-I203 HydrophobicContact CG2-CD1 3.88Å; I199-I203 HydrophobicContact CG2-CG1 4.24Å; I199-I203 WeakPolarHBondContact O-CG1 3.44Å; I199-I203 PolarHBondContact O-N 3.48Å; I199-F220 HydrophobicContact CB-CE1 4.3Å; I199-F220 HydrophobicContact CB-CZ 3.73Å; I199-F220 HydrophobicContact CD1-CZ 4.34Å; I199-F220 HydrophobicContact CG2-CE1 4.23Å; I199-F220 HydrophobicContact CG2-CE2 3.83Å; I199-F220 HydrophobicContact CG2-CZ 3.41Å; I199-F220 VanDerWaalsContact CG2-CZ 3.41Å; I199-Y249 HydrophobicContact CD1-CD2 3.83Å; I199-Y249 HydrophobicContact CD1-CE2 4.23Å; I199-Y249 HydrophobicContact CG1-CD2 3.67Å; I199-Y249 HydrophobicContact CG1-CE2 3.62Å; I199-I252 HydrophobicContact CD1-CB 3.74Å; I199-I252 HydrophobicContact CD1-CD1 4.36Å; I199-I252 HydrophobicContact CD1-CG2 3.72Å; I199-I252 HydrophobicContact CG2-CG2 4.38Å; I199-L256 HydrophobicContact CG2-CD1 3.8Å
200S73.4Confident67.8Low10 Ų1060.8 Ų60.87%0.0734%0.343CS..Hα-helixtrans-62.7-35.7176.868.80000112.1V196 N197 S202 I203 F204 Y212V196-S200 VanDerWaalsContact O-CB 3.27Å; V196-S200 WeakPolarHBondContact O-CB 3.21Å; V196-S200 PolarHBondContact O-N 3.46Å; V196-S200 PolarHBondContact O-OG 3.49Å; N197-S200 PolarHBondContact O-N 3.13Å; N197-S200 PolarHBondContact O-OG 3.2Å; S200-S202 PolarHBondContact O-N 3.14Å; S200-I203 PolarHBondContact O-N 3.32Å; S200-I203 VanDerWaalsContact O-N 3.13Å; S200-F204 PolarHBondContact O-N 2.88Å; S200-Y212 PolarHBondContact OG-OH 2.9Å
201L67.5Low66.6Low102 Ų10255.4 Ų55.453%0.53432%0.316SS..Hα-helixtrans-67.4-18.5169.4-65.5170.8000113.9N197 I199 A207N197-L201 WeakPolarHBondContact O-CG 3.4Å; N197-L201 PolarHBondContact O-N 3.28Å; N197-L201 VanDerWaalsContact O-N 3.17Å; I199-L201 VanDerWaalsContact C-N 3.26Å; I199-L201 PolarHBondContact O-N 3.4Å; L201-A207 HydrophobicContact CD2-CB 4.22Å
202S67.5Low65.8Low14 Ų1459.2 Ų59.210%0.09833%0.327CS..Hα-helixtrans-83.1-17172.3-59.90000112.6D198 I199 S200 H253 R260D198-S202 PolarHBondContact O-OG 3.49Å; D198-S202 VanDerWaalsContact O-OG 3.07Å; I199-S202 WeakPolarHBondContact O-CA 3.35Å; I199-S202 WeakPolarHBondContact O-CB 3.38Å; I199-S202 PolarHBondContact O-N 3.44Å; S200-S202 PolarHBondContact O-N 3.14Å; S202-H253 PolarHBondContact OG-CD2 2.75Å; S202-H253 VanDerWaalsContact OG-CD2 3.31Å; S202-R260 PolarHBondContact O-NH2 3.4Å
203I67.1Low64.4Low2 Ų262 Ų621%0.0135%0.35CS..Hα-helixtrans-105.3-39.7-175.5-55.5166000111.7I199 S200 F220 L256 F303 A306I199-I203 HydrophobicContact CG2-CD1 3.88Å; I199-I203 HydrophobicContact CG2-CG1 4.24Å; I199-I203 WeakPolarHBondContact O-CG1 3.44Å; I199-I203 PolarHBondContact O-N 3.48Å; S200-I203 PolarHBondContact O-N 3.32Å; S200-I203 VanDerWaalsContact O-N 3.13Å; I203-F220 HydrophobicContact CD1-CD2 4.33Å; I203-F220 HydrophobicContact CD1-CE2 4.37Å; I203-L256 HydrophobicContact CG1-CD1 4.14Å; I203-F303 HydrophobicContact CG2-CB 4.2Å; I203-F303 HydrophobicContact CG2-CD2 3.31Å; I203-F303 HydrophobicContact CG2-CE2 3.6Å; I203-F303 HydrophobicContact CG2-CG 3.93Å; I203-F303 HydrophobicContact CG2-CZ 4.4Å; I203-A306 HydrophobicContact CD1-CB 3.5Å; I203-A306 VanDerWaalsContact CD1-CB 3.5Å; I203-A306 HydrophobicContact CG1-CB 3.64Å; I203-A306 HydrophobicContact CG2-CB 4Å
204F58.4Low63.8Low32 Ų3258 Ų5814%0.1433%0.334CS..SBendtrans-111.6123.5175.5-71.7-62.6000110.6S200 T206 A211 M217 F303S200-F204 PolarHBondContact O-N 2.88Å; F204-T206 PolarHBondContact O-N 2.87Å; F204-T206 VanDerWaalsContact O-N 3.12Å; F204-A211 HydrophobicContact CD2-CB 3.65Å; F204-A211 HydrophobicContact CE2-CB 3.49Å; F204-A211 VanDerWaalsContact CE2-CB 3.49Å; F204-A211 HydrophobicContact CG-CB 4.47Å; F204-A211 HydrophobicContact CZ-CB 4.21Å; F204-M217 HydrophobicContact CD2-CE 4.06Å; F204-M217 HydrophobicContact CE2-CE 3.96Å; F204-F303 HydrophobicContact CD2-CD2 4.33Å; F204-F303 HydrophobicContact CD2-CE2 4.2Å; F204-F303 AromaticContact CE1-CD2 3.89Å; F204-F303 HydrophobicContact CE1-CD2 3.89Å; F204-F303 AromaticContact CE2-CD2 3.53Å; F204-F303 HydrophobicContact CE2-CD2 3.53Å; F204-F303 AromaticContact CE2-CE2 3.38Å; F204-F303 HydrophobicContact CE2-CE2 3.38Å; F204-F303 AromaticContact CZ-CD2 3.28Å; F204-F303 HydrophobicContact CZ-CD2 3.28Å; F204-F303 AromaticContact CZ-CE2 3.61Å; F204-F303 HydrophobicContact CZ-CE2 3.61Å; F204-F303 HydrophobicContact CZ-CG 4.39Å
205P46.6Very low63.4Low84 Ų8456 Ų5655%0.54534%0.335SS..SBendtrans-63-17.1-179.3-24.734.8000115.2
206T45.3Very low62.5Low101 Ų10159.3 Ų59.362%0.6235%0.347SS*.SBendtrans-134145.9173.356.30000110.4F204 N208F204-T206 PolarHBondContact O-N 2.87Å; F204-T206 VanDerWaalsContact O-N 3.12Å; T206-N208 PolarHBondContact O-N 3.42Å
207A43.5Very low62.4Low82 Ų8258.9 Ų58.968%0.67835%0.345SS*.  trans-76.567.8-179.500000111.8L201 P209L201-A207 HydrophobicContact CD2-CB 4.22Å; A207-P209 WeakPolarHBondContact O-CD 3.04Å
208N51.2Low62.3Low75 Ų7560.3 Ų60.340%0.40135%0.347SS..  trans-67.1121.4176.2178.22.4000110.5T206 T210 A211T206-N208 PolarHBondContact O-N 3.42Å; N208-T210 PolarHBondContact ND2-OG1 3.17Å; N208-T210 VanDerWaalsContact ND2-OG1 3.09Å; N208-T210 PolarHBondContact O-N 3.31Å; N208-T210 PolarHBondContact OD1-N 3.28Å; N208-T210 PolarHBondContact OD1-OG1 2.75Å; N208-A211 HydrophobicContact CB-CB 4.45Å; N208-A211 WeakPolarHBondContact O-CB 3.38Å; N208-A211 PolarHBondContact O-N 2.82Å
209P51.7Low62.3Low109 Ų10962.6 Ų62.671%0.70836%0.356SS*.G310 helixtrans-57.5-31.8178.7-26.536000114.2A207 A211 Y212A207-P209 WeakPolarHBondContact O-CD 3.04Å; P209-A211 PolarHBondContact O-N 2.99Å; P209-Y212 PolarHBondContact O-N 2.99Å
210T57Low62.4Low85 Ų8562.7 Ų62.752%0.52136%0.357SS..G310 helixtrans-75.8-8.7178.564.80000113.5N208 Y212 S213 D214N208-T210 PolarHBondContact ND2-OG1 3.17Å; N208-T210 VanDerWaalsContact ND2-OG1 3.09Å; N208-T210 PolarHBondContact O-N 3.31Å; N208-T210 PolarHBondContact OD1-N 3.28Å; N208-T210 PolarHBondContact OD1-OG1 2.75Å; T210-Y212 PolarHBondContact O-N 3.42Å; T210-S213 WeakPolarHBondContact CA-OG 3.43Å; T210-S213 PolarHBondContact O-N 2.98Å; T210-S213 VanDerWaalsContact O-N 3.16Å; T210-S213 PolarHBondContact O-OG 2.82Å; T210-D214 PolarHBondContact O-N 2.94Å
211A52.5Low62.8Low8 Ų864.1 Ų64.17%0.06636%0.363CS..G310 helixtrans-60-34.4170.300000112.3F204 N208 P209 S213 D214 M217F204-A211 HydrophobicContact CD2-CB 3.65Å; F204-A211 HydrophobicContact CE2-CB 3.49Å; F204-A211 VanDerWaalsContact CE2-CB 3.49Å; F204-A211 HydrophobicContact CG-CB 4.47Å; F204-A211 HydrophobicContact CZ-CB 4.21Å; N208-A211 HydrophobicContact CB-CB 4.45Å; N208-A211 WeakPolarHBondContact O-CB 3.38Å; N208-A211 PolarHBondContact O-N 2.82Å; P209-A211 PolarHBondContact O-N 2.99Å; A211-S213 VanDerWaalsContact C-N 3.27Å; A211-S213 PolarHBondContact O-N 3.35Å; A211-D214 VanDerWaalsContact O-CB 3.26Å; A211-D214 WeakPolarHBondContact O-CB 3.4Å; A211-D214 PolarHBondContact O-N 2.95Å; A211-M217 WeakPolarHBondContact O-CB 3.43Å; A211-M217 WeakPolarHBondContact O-CG 3.1Å
212Y63Low63.5Low97 Ų9761.4 Ų61.438%0.3835%0.349SS..G310 helixtrans-74-16.7178.7-74.4-78.3000113.8V196 N197 S200 P209 T210 M217 L221V196-Y212 HydrophobicContact CG1-CE1 4.06Å; N197-Y212 PolarHBondContact OD1-OH 3.43Å; N197-Y212 VanDerWaalsContact OD1-OH 3.12Å; S200-Y212 PolarHBondContact OG-OH 2.9Å; P209-Y212 PolarHBondContact O-N 2.99Å; T210-Y212 PolarHBondContact O-N 3.42Å; Y212-M217 HydrophobicContact CD1-CG 4.24Å; Y212-L221 HydrophobicContact CD1-CD1 4.41Å
213S56.5Low64.3Low91 Ų9161 Ų6164%0.63635%0.345SS*.G310 helixtrans-89.9-6.2170480000113.8T210 A211T210-S213 WeakPolarHBondContact CA-OG 3.43Å; T210-S213 PolarHBondContact O-N 2.98Å; T210-S213 VanDerWaalsContact O-N 3.16Å; T210-S213 PolarHBondContact O-OG 2.82Å; A211-S213 VanDerWaalsContact C-N 3.27Å; A211-S213 PolarHBondContact O-N 3.35Å
214D65.5Low65.1Low31 Ų3160.9 Ų60.917%0.16635%0.345CS..SBendtrans-67.3129.3177.9-167.7-58.1000110.6T210 A211 R216 M217 K218T210-D214 PolarHBondContact O-N 2.94Å; A211-D214 VanDerWaalsContact O-CB 3.26Å; A211-D214 WeakPolarHBondContact O-CB 3.4Å; A211-D214 PolarHBondContact O-N 2.95Å; D214-R216 PolarHBondContact O-N 3.42Å; D214-R216 WeakPolarHBondContact OD1-CB 3.4Å; D214-R216 VanDerWaalsContact OD1-CG 3.23Å; D214-R216 WeakPolarHBondContact OD1-CG 3.3Å; D214-R216 IonicContact OD1-CZ 2.8Å; D214-R216 PolarHBondContact OD1-N 3.36Å; D214-R216 IonicContact OD1-NE 3.72Å; D214-R216 PolarHBondContact OD1-NE 3.49Å; D214-R216 IonicContact OD1-NH2 3.32Å; D214-R216 IonicContact OD2-CZ 2.58Å; D214-R216 IonicContact OD2-NE 2.93Å; D214-R216 PolarHBondContact OD2-NE 3.37Å; D214-R216 IonicContact OD2-NH2 3.84Å; D214-R216 PolarHBondContact OD2-NH2 2.91Å; D214-M217 HydrophobicContact CB-CB 4.19Å; D214-M217 PolarHBondContact O-N 3.29Å; D214-M217 VanDerWaalsContact O-N 3.07Å; D214-K218 PolarHBondContact O-N 3.06Å
215P68.1Low66.3Low98 Ų9865 Ų6564%0.63636%0.363SS*.Hα-helixtrans-54-28.1177.3-27.535.5000114.3K218 Q219P215-K218 WeakPolarHBondContact O-CB 3.49Å; P215-K218 PolarHBondContact O-N 3.38Å; P215-Q219 PolarHBondContact O-N 2.93Å
216R66.7Low68.1Low77 Ų7766.6 Ų66.629%0.29136%0.358SS..Hα-helixtrans-78.5-37.9-179.9-52.7171.5-70.5168-1.1111.4D214 K218 Q219 F220 F303 L307D214-R216 PolarHBondContact O-N 3.42Å; D214-R216 WeakPolarHBondContact OD1-CB 3.4Å; D214-R216 VanDerWaalsContact OD1-CG 3.23Å; D214-R216 WeakPolarHBondContact OD1-CG 3.3Å; D214-R216 IonicContact OD1-CZ 2.8Å; D214-R216 PolarHBondContact OD1-N 3.36Å; D214-R216 IonicContact OD1-NE 3.72Å; D214-R216 PolarHBondContact OD1-NE 3.49Å; D214-R216 IonicContact OD1-NH2 3.32Å; D214-R216 IonicContact OD2-CZ 2.58Å; D214-R216 IonicContact OD2-NE 2.93Å; D214-R216 PolarHBondContact OD2-NE 3.37Å; D214-R216 IonicContact OD2-NH2 3.84Å; D214-R216 PolarHBondContact OD2-NH2 2.91Å; R216-K218 VanDerWaalsContact C-N 3.3Å; R216-Q219 WeakPolarHBondContact O-CB 3.49Å; R216-Q219 PolarHBondContact O-N 2.95Å; R216-F220 PolarHBondContact O-N 3.39Å; R216-F220 VanDerWaalsContact O-N 3.12Å; R216-F303 VanDerWaalsContact C-CE1 3.47Å; R216-F303 HydrophobicContact CB-CD1 3.54Å; R216-F303 HydrophobicContact CB-CE1 3.27Å; R216-F303 HydrophobicContact CB-CG 4.46Å; R216-F303 HydrophobicContact CB-CZ 3.98Å; R216-F303 HydrophobicContact CG-CD1 4.42Å; R216-L307 HydrophobicContact CB-CD1 3.83Å; R216-L307 HydrophobicContact CG-CD1 4.19Å
217M78.6Confident70.2Confident0 Ų062.1 Ų62.10%033%0.33CS..Hα-helixtrans-65.6-35.4168.8-178.257.877.600111.1F204 A211 Y212 D214 Q219 F220 L221 F303F204-M217 HydrophobicContact CD2-CE 4.06Å; F204-M217 HydrophobicContact CE2-CE 3.96Å; A211-M217 WeakPolarHBondContact O-CB 3.43Å; A211-M217 WeakPolarHBondContact O-CG 3.1Å; Y212-M217 HydrophobicContact CD1-CG 4.24Å; D214-M217 HydrophobicContact CB-CB 4.19Å; D214-M217 PolarHBondContact O-N 3.29Å; D214-M217 VanDerWaalsContact O-N 3.07Å; M217-Q219 VanDerWaalsContact C-N 3.31Å; M217-Q219 PolarHBondContact O-N 3.07Å; M217-F220 WeakPolarHBondContact O-CB 3.22Å; M217-F220 PolarHBondContact O-N 3.48Å; M217-F220 HydrophobicContact SD-CB 4.29Å; M217-F220 HydrophobicContact SD-CD1 3.95Å; M217-F220 HydrophobicContact SD-CG 4.48Å; M217-L221 HydrophobicContact CG-CD1 4.16Å; M217-L221 HydrophobicContact CG-CG 4.41Å; M217-L221 VanDerWaalsContact O-CG 3.28Å; M217-L221 WeakPolarHBondContact O-CG 3.3Å; M217-L221 PolarHBondContact O-N 3.41Å; M217-L221 HydrophobicContact SD-CG 4.44Å; M217-F303 HydrophobicContact CB-CE2 4.46Å; M217-F303 HydrophobicContact CB-CZ 4.19Å; M217-F303 HydrophobicContact CE-CE2 4.06Å; M217-F303 HydrophobicContact CE-CZ 4.43Å
218K75.5Confident72.5Confident113 Ų11358.6 Ų58.649%0.49130%0.3SS..Hα-helixtrans-59.9-39.6172.9-164.2172.7-175.6171.50112.2D214 P215 R216 L221 D222D214-K218 PolarHBondContact O-N 3.06Å; P215-K218 WeakPolarHBondContact O-CB 3.49Å; P215-K218 PolarHBondContact O-N 3.38Å; R216-K218 VanDerWaalsContact C-N 3.3Å; K218-L221 PolarHBondContact O-N 2.93Å; K218-D222 WeakPolarHBondContact O-CB 3.3Å; K218-D222 VanDerWaalsContact O-CG 3.25Å; K218-D222 PolarHBondContact O-N 2.95Å
219Q74.9Confident74.1Confident104 Ų10460.9 Ų60.949%0.48631%0.306SS..Hα-helixtrans-64.9-42.9172.2-73177-45.900112.6P215 R216 M217 L221 D222 Y223 L307P215-Q219 PolarHBondContact O-N 2.93Å; R216-Q219 WeakPolarHBondContact O-CB 3.49Å; R216-Q219 PolarHBondContact O-N 2.95Å; M217-Q219 VanDerWaalsContact C-N 3.31Å; M217-Q219 PolarHBondContact O-N 3.07Å; Q219-L221 VanDerWaalsContact C-N 3.35Å; Q219-L221 PolarHBondContact O-N 3.31Å; Q219-D222 PolarHBondContact O-N 3.48Å; Q219-Y223 PolarHBondContact O-N 2.91Å; Q219-L307 HydrophobicContact CB-CD2 4.06Å
220F81Confident75.6Confident2 Ų258.7 Ų58.71%0.00929%0.288CS..Hα-helixtrans-58.9-45.2174.5-178.7-98.3000111.8F195 I199 I203 R216 M217 D222 Y223 V224 V310F195-F220 HydrophobicContact CE1-CZ 4.44Å; I199-F220 HydrophobicContact CB-CE1 4.3Å; I199-F220 HydrophobicContact CB-CZ 3.73Å; I199-F220 HydrophobicContact CD1-CZ 4.34Å; I199-F220 HydrophobicContact CG2-CE1 4.23Å; I199-F220 HydrophobicContact CG2-CE2 3.83Å; I199-F220 HydrophobicContact CG2-CZ 3.41Å; I199-F220 VanDerWaalsContact CG2-CZ 3.41Å; I203-F220 HydrophobicContact CD1-CD2 4.33Å; I203-F220 HydrophobicContact CD1-CE2 4.37Å; R216-F220 PolarHBondContact O-N 3.39Å; R216-F220 VanDerWaalsContact O-N 3.12Å; M217-F220 WeakPolarHBondContact O-CB 3.22Å; M217-F220 PolarHBondContact O-N 3.48Å; M217-F220 HydrophobicContact SD-CB 4.29Å; M217-F220 HydrophobicContact SD-CD1 3.95Å; M217-F220 HydrophobicContact SD-CG 4.48Å; F220-D222 PolarHBondContact O-N 3.38Å; F220-Y223 PolarHBondContact O-N 2.78Å; F220-V224 HydrophobicContact CD1-CG2 4.23Å; F220-V224 HydrophobicContact CE1-CG2 3.72Å; F220-V224 HydrophobicContact CE2-CG2 4.21Å; F220-V224 HydrophobicContact CZ-CG2 3.69Å; F220-V224 WeakPolarHBondContact O-CG2 3.45Å; F220-V224 PolarHBondContact O-N 2.64Å; F220-V310 HydrophobicContact CD2-CG2 3.85Å; F220-V310 HydrophobicContact CE2-CG2 4.14Å
221L81.8Confident77Confident40 Ų4054.9 Ų54.921%0.20927%0.265CS..Hα-helixtrans-62.5-40.7175.5-68.7167.5000112.7V196 Y212 M217 K218 Q219 Y223 V224 K225V196-L221 HydrophobicContact CB-CD2 4.3Å; V196-L221 HydrophobicContact CG1-CD2 3.49Å; V196-L221 VanDerWaalsContact CG1-CD2 3.49Å; V196-L221 HydrophobicContact CG2-CD2 3.73Å; Y212-L221 HydrophobicContact CD1-CD1 4.41Å; M217-L221 HydrophobicContact CG-CD1 4.16Å; M217-L221 HydrophobicContact CG-CG 4.41Å; M217-L221 VanDerWaalsContact O-CG 3.28Å; M217-L221 WeakPolarHBondContact O-CG 3.3Å; M217-L221 PolarHBondContact O-N 3.41Å; M217-L221 HydrophobicContact SD-CG 4.44Å; K218-L221 PolarHBondContact O-N 2.93Å; Q219-L221 VanDerWaalsContact C-N 3.35Å; Q219-L221 PolarHBondContact O-N 3.31Å; L221-Y223 VanDerWaalsContact C-N 3.34Å; L221-V224 PolarHBondContact O-N 2.87Å; L221-K225 WeakPolarHBondContact O-CB 3.41Å; L221-K225 WeakPolarHBondContact O-CG 3.46Å; L221-K225 PolarHBondContact O-N 3.35Å
222D80.5Confident78.7Confident45 Ų4558.1 Ų58.124%0.24128%0.277CS..Hα-helixtrans-68.9-29.6176.3-72.4-33000112.3K218 Q219 F220 R226 R400K218-D222 WeakPolarHBondContact O-CB 3.3Å; K218-D222 VanDerWaalsContact O-CG 3.25Å; K218-D222 PolarHBondContact O-N 2.95Å; Q219-D222 PolarHBondContact O-N 3.48Å; F220-D222 PolarHBondContact O-N 3.38Å; D222-R226 WeakPolarHBondContact O-CG 3.39Å; D222-R226 PolarHBondContact O-NE 2.89Å; D222-R400 IonicContact OD1-NH1 2.83Å; D222-R400 IonicContact OD2-CZ 3.16Å; D222-R400 IonicContact OD2-NH1 2.64Å; D222-R400 PolarHBondContact OD2-NH1 2.96Å; D222-R400 IonicContact OD2-NH2 2.66Å
223Y84.3Confident79.5Confident5 Ų558.7 Ų58.72%0.0229%0.291CS..Hα-helixtrans-69.1-52.8168.9168.8-94.2000111.5Q219 F220 L221 K225 R226 M227 I252 V310 E314 I317Q219-Y223 PolarHBondContact O-N 2.91Å; F220-Y223 PolarHBondContact O-N 2.78Å; L221-Y223 VanDerWaalsContact C-N 3.34Å; Y223-K225 VanDerWaalsContact C-N 3.26Å; Y223-K225 PolarHBondContact O-N 3.12Å; Y223-R226 PolarHBondContact O-N 2.67Å; Y223-M227 HydrophobicContact CE1-CB 4.32Å; Y223-M227 HydrophobicContact CE1-SD 4.01Å; Y223-M227 PolarHBondContact O-N 3.15Å; Y223-I252 HydrophobicContact CE1-CD1 3.82Å; Y223-V310 HydrophobicContact CD1-CG1 4.2Å; Y223-V310 HydrophobicContact CD1-CG2 3.83Å; Y223-V310 HydrophobicContact CD2-CG1 3.71Å; Y223-V310 HydrophobicContact CE1-CG2 4.17Å; Y223-V310 HydrophobicContact CE2-CG1 4.38Å; Y223-V310 HydrophobicContact CG-CB 4.46Å; Y223-V310 HydrophobicContact CG-CG1 3.6Å; Y223-V310 HydrophobicContact CG-CG2 4.11Å; Y223-E314 HydrophobicContact CD2-CB 4.38Å; Y223-E314 HydrophobicContact CD2-CG 4.46Å; Y223-E314 HydrophobicContact CE2-CB 4.38Å; Y223-I317 HydrophobicContact CE2-CD1 4.43Å
224V84.3Confident80.6Confident0 Ų059.9 Ų59.90%028%0.284CS..Hα-helixtrans-59.6-37.8-177175.20000111.6M192 F195 V196 F220 L221 R226 M227 E228M192-V224 HydrophobicContact CG-CG1 3.78Å; F195-V224 HydrophobicContact CD1-CB 4.46Å; F195-V224 HydrophobicContact CD1-CG1 3.68Å; F195-V224 HydrophobicContact CD1-CG2 3.82Å; F195-V224 HydrophobicContact CE1-CG1 4.13Å; F195-V224 HydrophobicContact CE1-CG2 3.65Å; F195-V224 HydrophobicContact CG-CG1 4.23Å; V196-V224 HydrophobicContact CG2-CB 4.33Å; V196-V224 HydrophobicContact CG2-CG1 3.93Å; F220-V224 HydrophobicContact CD1-CG2 4.23Å; F220-V224 HydrophobicContact CE1-CG2 3.72Å; F220-V224 HydrophobicContact CE2-CG2 4.21Å; F220-V224 HydrophobicContact CZ-CG2 3.69Å; F220-V224 WeakPolarHBondContact O-CG2 3.45Å; F220-V224 PolarHBondContact O-N 2.64Å; L221-V224 PolarHBondContact O-N 2.87Å; V224-R226 VanDerWaalsContact C-N 3.33Å; V224-R226 PolarHBondContact O-N 3.21Å; V224-M227 HydrophobicContact CB-CE 4.44Å; V224-M227 HydrophobicContact CG1-CE 3.93Å; V224-E228 VanDerWaalsContact O-CB 3.28Å; V224-E228 WeakPolarHBondContact O-CB 3.43Å; V224-E228 PolarHBondContact O-N 3.46Å
225K83.8Confident81.4Confident117 Ų11759.5 Ų59.551%0.50928%0.284SS..Hα-helixtrans-62.2-32.7172.8-79.7175.8175.8-179.10114.6M192 L221 Y223 K229M192-K225 HydrophobicContact CE-CD 4.48Å; M192-K225 HydrophobicContact CE-CG 3.65Å; M192-K225 HydrophobicContact SD-CB 4.32Å; M192-K225 HydrophobicContact SD-CG 3.6Å; M192-K225 VanDerWaalsContact SD-CG 3.6Å; L221-K225 WeakPolarHBondContact O-CB 3.41Å; L221-K225 WeakPolarHBondContact O-CG 3.46Å; L221-K225 PolarHBondContact O-N 3.35Å; Y223-K225 VanDerWaalsContact C-N 3.26Å; Y223-K225 PolarHBondContact O-N 3.12Å; K225-K229 WeakPolarHBondContact O-CB 3.38Å; K225-K229 PolarHBondContact O-N 3.19Å
226R83.6Confident81.9Confident119 Ų11965.7 Ų65.745%0.44930%0.295SS..Hα-helixtrans-81.1-43.2179.3-73.4177.7-68.9147.68111D222 Y223 V224 K229 D230 E314D222-R226 WeakPolarHBondContact O-CG 3.39Å; D222-R226 PolarHBondContact O-NE 2.89Å; Y223-R226 PolarHBondContact O-N 2.67Å; V224-R226 VanDerWaalsContact C-N 3.33Å; V224-R226 PolarHBondContact O-N 3.21Å; R226-K229 PolarHBondContact O-N 3.43Å; R226-D230 PolarHBondContact O-N 2.86Å; R226-E314 IonicContact CZ-OE1 3.77Å; R226-E314 IonicContact CZ-OE2 3.33Å; R226-E314 IonicContact NH1-OE1 2.76Å; R226-E314 PolarHBondContact NH1-OE1 3.05Å; R226-E314 IonicContact NH1-OE2 2.77Å; R226-E314 VanDerWaalsContact NH2-CD 3.34Å; R226-E314 IonicContact NH2-OE1 2.76Å; R226-E314 PolarHBondContact NH2-OE1 3.25Å; R226-E314 IonicContact NH2-OE2 3.06Å; R226-E314 PolarHBondContact NH2-OE2 3.25Å
227M90Very high82.6Confident7 Ų764.9 Ų64.93%0.03430%0.301CS..Hα-helixtrans-61-45.2173.5174.7-147.565.200111.8F195 Y223 V224 K229 D230 V231 M245 H248F195-M227 HydrophobicContact CD1-CE 4.42Å; F195-M227 HydrophobicContact CD2-CE 4.16Å; F195-M227 HydrophobicContact CE1-CE 3.94Å; F195-M227 HydrophobicContact CE1-SD 4.39Å; F195-M227 HydrophobicContact CE2-CE 3.62Å; F195-M227 HydrophobicContact CE2-SD 4.04Å; F195-M227 HydrophobicContact CZ-CE 3.51Å; F195-M227 HydrophobicContact CZ-SD 3.65Å; Y223-M227 HydrophobicContact CE1-CB 4.32Å; Y223-M227 HydrophobicContact CE1-SD 4.01Å; Y223-M227 PolarHBondContact O-N 3.15Å; V224-M227 HydrophobicContact CB-CE 4.44Å; V224-M227 HydrophobicContact CG1-CE 3.93Å; M227-K229 VanDerWaalsContact C-N 3.32Å; M227-K229 PolarHBondContact O-N 3.2Å; M227-D230 PolarHBondContact O-N 3.34Å; M227-V231 WeakPolarHBondContact O-CG2 3.36Å; M227-V231 PolarHBondContact O-N 3.46Å; M227-M245 HydrophobicContact CE-CE 3.34Å; M227-H248 VanDerWaalsContact CG-CD2 3.41Å; M227-H248 WeakPolarHBondContact CG-CD2 3.21Å; M227-H248 HydrophobicContact SD-CB 3.71Å
228E92.3Very high82.6Confident8 Ų867.1 Ų67.14%0.03732%0.315CS..Hα-helixtrans-59-43174.3-177-78.5151.500111.7R188 M192 V224 V231 F232 Y241 M245R188-E228 IonicContact CZ-OE1 3.31Å; R188-E228 IonicContact CZ-OE2 2.71Å; R188-E228 IonicContact NE-OE1 2.72Å; R188-E228 PolarHBondContact NE-OE1 3.27Å; R188-E228 IonicContact NE-OE2 3.56Å; R188-E228 VanDerWaalsContact NH2-CD 3.32Å; R188-E228 IonicContact NH2-OE1 2.66Å; R188-E228 PolarHBondContact NH2-OE1 3.28Å; R188-E228 VanDerWaalsContact NH2-OE1 3.1Å; R188-E228 IonicContact NH2-OE2 3.83Å; R188-E228 PolarHBondContact NH2-OE2 2.94Å; M192-E228 HydrophobicContact CB-CG 4.32Å; M192-E228 HydrophobicContact CG-CB 4.15Å; M192-E228 HydrophobicContact CG-CG 4.15Å; M192-E228 HydrophobicContact SD-CB 4.24Å; M192-E228 HydrophobicContact SD-CG 4.37Å; V224-E228 VanDerWaalsContact O-CB 3.28Å; V224-E228 WeakPolarHBondContact O-CB 3.43Å; V224-E228 PolarHBondContact O-N 3.46Å; E228-V231 PolarHBondContact O-N 3.13Å; E228-F232 WeakPolarHBondContact O-CB 3.26Å; E228-F232 PolarHBondContact O-N 3.39Å; E228-Y241 HydrophobicContact CG-CE2 4.3Å; E228-Y241 WeakPolarHBondContact CG-OH 3.19Å; E228-Y241 WeakPolarHBondContact OE1-CE2 3.39Å; E228-Y241 PolarHBondContact OE1-OH 3.28Å; E228-M245 HydrophobicContact CB-SD 4.42Å; E228-M245 HydrophobicContact CG-SD 4.1Å
229K85.4Confident82.8Confident123 Ų12369 Ų6954%0.53533%0.325SS..Hα-helixtrans-65.3-41.5179.3-172.9178-180-179.50112.4K225 R226 M227 F232 V233K225-K229 WeakPolarHBondContact O-CB 3.38Å; K225-K229 PolarHBondContact O-N 3.19Å; R226-K229 PolarHBondContact O-N 3.43Å; M227-K229 VanDerWaalsContact C-N 3.32Å; M227-K229 PolarHBondContact O-N 3.2Å; K229-F232 PolarHBondContact O-N 3.31Å; K229-V233 WeakPolarHBondContact O-CB 3.37Å; K229-V233 VanDerWaalsContact O-CG2 3.31Å; K229-V233 WeakPolarHBondContact O-CG2 3.41Å; K229-V233 PolarHBondContact O-N 3.18Å
230D82.2Confident83.1Confident63 Ų6367.7 Ų67.734%0.33732%0.319SS..Hα-helixtrans-66.5-39.5174.9-89.619.2000111.2R226 M227 V233 K234R226-D230 PolarHBondContact O-N 2.86Å; M227-D230 PolarHBondContact O-N 3.34Å; D230-V233 PolarHBondContact O-N 3.46Å; D230-K234 WeakPolarHBondContact O-CB 3.42Å; D230-K234 WeakPolarHBondContact O-CG 3.24Å; D230-K234 PolarHBondContact O-N 3.43Å
231V86.3Confident83.5Confident5 Ų567.6 Ų67.63%0.0332%0.319CS..Hα-helixtrans-62.7-42.5173.3172.80000111.4M227 E228 V233 K234 S235 Y241 T244 M245M227-V231 WeakPolarHBondContact O-CG2 3.36Å; M227-V231 PolarHBondContact O-N 3.46Å; E228-V231 PolarHBondContact O-N 3.13Å; V231-V233 PolarHBondContact O-N 3.49Å; V231-K234 PolarHBondContact O-N 3.41Å; V231-S235 VanDerWaalsContact O-CB 3.27Å; V231-S235 WeakPolarHBondContact O-CB 3.16Å; V231-S235 PolarHBondContact O-N 3.1Å; V231-S235 PolarHBondContact O-OG 2.93Å; V231-Y241 HydrophobicContact CG1-CD2 3.81Å; V231-Y241 HydrophobicContact CG1-CE2 4.32Å; V231-Y241 HydrophobicContact CG1-CG 4.5Å; V231-T244 HydrophobicContact CG1-CG2 3.94Å; V231-T244 HydrophobicContact CG2-CG2 3.84Å; V231-M245 HydrophobicContact CG1-CG 4.1Å
232F89.1Confident83.8Confident75 Ų7569.8 Ų69.833%0.32933%0.327SS..Hα-helixtrans-63.1-38.2175.4-178-112.1000112.9I183 R188 E228 K229 Y241I183-F232 HydrophobicContact CB-CE2 4.21Å; I183-F232 HydrophobicContact CG2-CE2 4.19Å; R188-F232 HydrophobicContact CG-CD2 4.39Å; E228-F232 WeakPolarHBondContact O-CB 3.26Å; E228-F232 PolarHBondContact O-N 3.39Å; K229-F232 PolarHBondContact O-N 3.31Å; F232-Y241 HydrophobicContact CB-CD2 4.08Å; F232-Y241 HydrophobicContact CB-CE2 3.87Å; F232-Y241 HydrophobicContact CD2-CD2 4.23Å; F232-Y241 HydrophobicContact CD2-CE2 4.25Å
233V79.3Confident83.9Confident109 Ų10975 Ų7566%0.66135%0.347SS*.Hα-helixtrans-78.1-31.2179.21710000112.7K229 D230 V231K229-V233 WeakPolarHBondContact O-CB 3.37Å; K229-V233 VanDerWaalsContact O-CG2 3.31Å; K229-V233 WeakPolarHBondContact O-CG2 3.41Å; K229-V233 PolarHBondContact O-N 3.18Å; D230-V233 PolarHBondContact O-N 3.46Å; V231-V233 PolarHBondContact O-N 3.49Å
234K79.7Confident83.9Confident116 Ų11677 Ų7750%0.50436%0.36SS..Hα-helixtrans-78.7-30.4176.4-75.9-171.6173.7-171.30113.5D230 V231 E324D230-K234 WeakPolarHBondContact O-CB 3.42Å; D230-K234 WeakPolarHBondContact O-CG 3.24Å; D230-K234 PolarHBondContact O-N 3.43Å; V231-K234 PolarHBondContact O-N 3.41Å; K234-E324 IonicContact NZ-OE1 3.66Å; K234-E324 PolarHBondContact NZ-OE1 3.06Å; K234-E324 IonicContact NZ-OE2 2.82Å; K234-E324 PolarHBondContact NZ-OE2 2.79Å
235S82.7Confident84Confident23 Ų2377.4 Ų77.416%0.16136%0.362CS..  trans-77.4127.4-173.4-58.20000112.7V231 Y241V231-S235 VanDerWaalsContact O-CB 3.27Å; V231-S235 WeakPolarHBondContact O-CB 3.16Å; V231-S235 PolarHBondContact O-N 3.1Å; V231-S235 PolarHBondContact O-OG 2.93Å; S235-Y241 VanDerWaalsContact OG-CA 3.23Å; S235-Y241 WeakPolarHBondContact OG-CA 3.33Å; S235-Y241 PolarHBondContact OG-N 2.7Å
236R78.2Confident83.8Confident229 Ų22974.5 Ų74.586%0.86436%0.36SS*.SBendtrans-86.9-17178.6-53.2-177.3-173.2-166.52.7112.7E240R236-E240 WeakPolarHBondContact CB-OE2 2.9Å; R236-E240 PolarHBondContact N-OE2 2.95Å
237S81.5Confident83.7Confident60 Ų6074 Ų7442%0.4237%0.365SS..SBendtrans-137.4161.1177.984.70000113.4E239 E240 Y241S237-E239 VanDerWaalsContact C-N 3.26Å; S237-E239 PolarHBondContact O-N 2.8Å; S237-E239 PolarHBondContact OG-N 3.18Å; S237-E240 PolarHBondContact O-N 2.73Å; S237-E240 WeakPolarHBondContact OG-CB 3Å; S237-E240 PolarHBondContact OG-N 2.71Å; S237-E240 VanDerWaalsContact OG-N 3.13Å; S237-Y241 PolarHBondContact O-N 3.48Å
238T79.1Confident83.4Confident46 Ų4676 Ų7628%0.28238%0.375SS..Hα-helixtrans-56.5-39.8174.2-62.10000112.5S181 I183 F242S181-T238 PolarHBondContact O-OG1 2.79Å; I183-T238 HydrophobicContact CD1-CG2 4.22Å; I183-T238 HydrophobicContact CG1-CG2 3.68Å; T238-F242 HydrophobicContact CG2-CD2 4.21Å; T238-F242 HydrophobicContact CG2-CE2 4.04Å; T238-F242 WeakPolarHBondContact O-CD2 3.3Å; T238-F242 PolarHBondContact O-N 2.95Å
239E78.1Confident83Confident152 Ų15278.3 Ų78.371%0.7138%0.383SS*.Hα-helixtrans-70.9-39.5179.7-170.8176.4179.900112S237 Y241 F242 K243S237-E239 VanDerWaalsContact C-N 3.26Å; S237-E239 PolarHBondContact O-N 2.8Å; S237-E239 PolarHBondContact OG-N 3.18Å; E239-Y241 PolarHBondContact O-N 3.19Å; E239-F242 PolarHBondContact O-N 3.09Å; E239-K243 WeakPolarHBondContact O-CB 3.44Å; E239-K243 PolarHBondContact O-N 3.4Å
240E81.2Confident82.7Confident77 Ų7778.3 Ų78.336%0.3639%0.385SS..Hα-helixtrans-63.6-39.5178.8-172.5171.1-142.300112.3R236 S237 K243 T244R236-E240 WeakPolarHBondContact CB-OE2 2.9Å; R236-E240 PolarHBondContact N-OE2 2.95Å; S237-E240 PolarHBondContact O-N 2.73Å; S237-E240 WeakPolarHBondContact OG-CB 3Å; S237-E240 PolarHBondContact OG-N 2.71Å; S237-E240 VanDerWaalsContact OG-N 3.13Å; E240-K243 PolarHBondContact O-N 2.91Å; E240-T244 VanDerWaalsContact O-CB 3.3Å; E240-T244 WeakPolarHBondContact O-CB 3.4Å; E240-T244 PolarHBondContact O-N 3.08Å; E240-T244 PolarHBondContact O-OG1 3.26Å
241Y90.9Very high82.8Confident0 Ų078.7 Ų78.70%039%0.387CS..Hα-helixtrans-59.5-54.3173.6169.4-95.8000112.1I183 R188 A191 E228 V231 F232 S235 S237 E239 K243 T244 M245I183-Y241 HydrophobicContact CD1-CD1 3.36Å; I183-Y241 HydrophobicContact CD1-CD2 4.24Å; I183-Y241 HydrophobicContact CD1-CE1 4.17Å; I183-Y241 HydrophobicContact CD1-CG 3.39Å; R188-Y241 WeakPolarHBondContact CA-OH 3.18Å; A191-Y241 HydrophobicContact CB-CE1 4.04Å; E228-Y241 HydrophobicContact CG-CE2 4.3Å; E228-Y241 WeakPolarHBondContact CG-OH 3.19Å; E228-Y241 WeakPolarHBondContact OE1-CE2 3.39Å; E228-Y241 PolarHBondContact OE1-OH 3.28Å; V231-Y241 HydrophobicContact CG1-CD2 3.81Å; V231-Y241 HydrophobicContact CG1-CE2 4.32Å; V231-Y241 HydrophobicContact CG1-CG 4.5Å; F232-Y241 HydrophobicContact CB-CD2 4.08Å; F232-Y241 HydrophobicContact CB-CE2 3.87Å; F232-Y241 HydrophobicContact CD2-CD2 4.23Å; F232-Y241 HydrophobicContact CD2-CE2 4.25Å; S235-Y241 VanDerWaalsContact OG-CA 3.23Å; S235-Y241 WeakPolarHBondContact OG-CA 3.33Å; S235-Y241 PolarHBondContact OG-N 2.7Å; S237-Y241 PolarHBondContact O-N 3.48Å; E239-Y241 PolarHBondContact O-N 3.19Å; Y241-K243 VanDerWaalsContact C-N 3.31Å; Y241-K243 PolarHBondContact O-N 2.75Å; Y241-T244 PolarHBondContact O-N 3.13Å; Y241-M245 HydrophobicContact CE1-CG 4.23Å; Y241-M245 HydrophobicContact CE2-CG 4.17Å; Y241-M245 VanDerWaalsContact O-CB 3.32Å; Y241-M245 WeakPolarHBondContact O-CB 3.23Å; Y241-M245 PolarHBondContact O-N 3.47Å
242F86.7Confident82.6Confident87 Ų8778.5 Ų78.538%0.38239%0.386SS..Hα-helixtrans-64.4-37.2-178.8-77.8-67000112Q187 A191 T238 E239 A246Q187-F242 HydrophobicContact CB-CZ 4.24Å; A191-F242 HydrophobicContact CB-CD1 4.38Å; A191-F242 HydrophobicContact CB-CE1 3.9Å; T238-F242 HydrophobicContact CG2-CD2 4.21Å; T238-F242 HydrophobicContact CG2-CE2 4.04Å; T238-F242 WeakPolarHBondContact O-CD2 3.3Å; T238-F242 PolarHBondContact O-N 2.95Å; E239-F242 PolarHBondContact O-N 3.09Å; F242-A246 WeakPolarHBondContact O-CB 3.27Å; F242-A246 PolarHBondContact O-N 3.36Å
243K83.4Confident82.2Confident154 Ų15477.7 Ų77.767%0.6738%0.383SS*.Hα-helixtrans-64.7-44.2176.7-172.6177.4-178.2-178.70112E239 E240 Y241 A246 L247E239-K243 WeakPolarHBondContact O-CB 3.44Å; E239-K243 PolarHBondContact O-N 3.4Å; E240-K243 PolarHBondContact O-N 2.91Å; Y241-K243 VanDerWaalsContact C-N 3.31Å; Y241-K243 PolarHBondContact O-N 2.75Å; K243-A246 PolarHBondContact O-N 3.26Å; K243-L247 PolarHBondContact O-N 2.71Å
244T83.4Confident82.1Confident47 Ų4775.2 Ų75.229%0.28837%0.371SS..Hα-helixtrans-73.1-38.5179.7-51.80000111.7V231 E240 Y241 A246 L247 H248V231-T244 HydrophobicContact CG1-CG2 3.94Å; V231-T244 HydrophobicContact CG2-CG2 3.84Å; E240-T244 VanDerWaalsContact O-CB 3.3Å; E240-T244 WeakPolarHBondContact O-CB 3.4Å; E240-T244 PolarHBondContact O-N 3.08Å; E240-T244 PolarHBondContact O-OG1 3.26Å; Y241-T244 PolarHBondContact O-N 3.13Å; T244-A246 VanDerWaalsContact C-N 3.35Å; T244-A246 PolarHBondContact O-N 3.4Å; T244-L247 WeakPolarHBondContact O-CB 3.16Å; T244-L247 PolarHBondContact O-N 3.19Å; T244-H248 PolarHBondContact O-N 3.35Å; T244-H248 VanDerWaalsContact O-N 3.07Å
245M86.2Confident82.2Confident9 Ų973.2 Ų73.24%0.04436%0.363CS..Hα-helixtrans-55.4-47.6169-89.8-98.261.600112A191 F195 M227 E228 V231 Y241 L247 H248 Y249A191-M245 HydrophobicContact CB-SD 4.37Å; F195-M245 HydrophobicContact CD2-CE 3.3Å; F195-M245 HydrophobicContact CE2-CE 3.55Å; F195-M245 HydrophobicContact CG-CE 4.15Å; M227-M245 HydrophobicContact CE-CE 3.34Å; E228-M245 HydrophobicContact CB-SD 4.42Å; E228-M245 HydrophobicContact CG-SD 4.1Å; V231-M245 HydrophobicContact CG1-CG 4.1Å; Y241-M245 HydrophobicContact CE1-CG 4.23Å; Y241-M245 HydrophobicContact CE2-CG 4.17Å; Y241-M245 VanDerWaalsContact O-CB 3.32Å; Y241-M245 WeakPolarHBondContact O-CB 3.23Å; Y241-M245 PolarHBondContact O-N 3.47Å; M245-L247 VanDerWaalsContact C-N 3.33Å; M245-L247 PolarHBondContact O-N 3.31Å; M245-H248 PolarHBondContact O-N 2.65Å; M245-Y249 PolarHBondContact O-N 3.25Å; M245-Y249 VanDerWaalsContact O-N 3.09Å
246A80.2Confident82Confident55 Ų5572.7 Ų72.746%0.45536%0.358SS..Hα-helixtrans-64.7-35.8178.100000112.5F242 K243 T244 Y249 H250F242-A246 WeakPolarHBondContact O-CB 3.27Å; F242-A246 PolarHBondContact O-N 3.36Å; K243-A246 PolarHBondContact O-N 3.26Å; T244-A246 VanDerWaalsContact C-N 3.35Å; T244-A246 PolarHBondContact O-N 3.4Å; A246-Y249 PolarHBondContact O-N 3.5Å; A246-H250 WeakPolarHBondContact O-CB 3.2Å; A246-H250 PolarHBondContact O-N 3.34Å
247L82.1Confident81.9Confident108 Ų10868.8 Ų68.857%0.56535%0.348SS*.Hα-helixtrans-64.6-48177-159.977.4000111.7K243 T244 M245 Y249 H250 N251K243-L247 PolarHBondContact O-N 2.71Å; T244-L247 WeakPolarHBondContact O-CB 3.16Å; T244-L247 PolarHBondContact O-N 3.19Å; M245-L247 VanDerWaalsContact C-N 3.33Å; M245-L247 PolarHBondContact O-N 3.31Å; L247-Y249 VanDerWaalsContact C-N 3.34Å; L247-Y249 PolarHBondContact O-N 3.46Å; L247-H250 PolarHBondContact O-N 2.96Å; L247-N251 WeakPolarHBondContact O-CB 3.48Å; L247-N251 PolarHBondContact O-N 3.22Å; L247-N251 PolarHBondContact O-OD1 3.38Å
248H83Confident81.7Confident50 Ų5070.6 Ų70.623%0.23135%0.349CS..Hα-helixtrans-60.1-43174.7-83.1-34.6000112.1F195 M227 T244 M245 N251 I252F195-H248 HydrophobicContact CE2-CB 4.13Å; F195-H248 HydrophobicContact CZ-CB 4.43Å; M227-H248 VanDerWaalsContact CG-CD2 3.41Å; M227-H248 WeakPolarHBondContact CG-CD2 3.21Å; M227-H248 HydrophobicContact SD-CB 3.71Å; T244-H248 PolarHBondContact O-N 3.35Å; T244-H248 VanDerWaalsContact O-N 3.07Å; M245-H248 PolarHBondContact O-N 2.65Å; H248-N251 PolarHBondContact O-N 2.81Å; H248-I252 WeakPolarHBondContact O-CG1 3.35Å; H248-I252 PolarHBondContact O-N 2.93Å
249Y83.6Confident81.3Confident57 Ų5770 Ų7022%0.22434%0.343CS..Hα-helixtrans-57.1-54.6177.6165.6-104.3000111.1F195 D198 I199 M245 A246 L247 N251 I252 H253F195-Y249 HydrophobicContact CD2-CD2 4.47Å; F195-Y249 VanDerWaalsContact CE2-N 3.31Å; D198-Y249 HydrophobicContact CB-CD2 4.32Å; D198-Y249 HydrophobicContact CB-CE2 3.42Å; D198-Y249 VanDerWaalsContact CB-CE2 3.42Å; I199-Y249 HydrophobicContact CD1-CD2 3.83Å; I199-Y249 HydrophobicContact CD1-CE2 4.23Å; I199-Y249 HydrophobicContact CG1-CD2 3.67Å; I199-Y249 HydrophobicContact CG1-CE2 3.62Å; M245-Y249 PolarHBondContact O-N 3.25Å; M245-Y249 VanDerWaalsContact O-N 3.09Å; A246-Y249 PolarHBondContact O-N 3.5Å; L247-Y249 VanDerWaalsContact C-N 3.34Å; L247-Y249 PolarHBondContact O-N 3.46Å; Y249-N251 PolarHBondContact O-N 3.35Å; Y249-I252 PolarHBondContact O-N 2.96Å; Y249-H253 HydrophobicContact CE2-CB 4.4Å; Y249-H253 AromaticContact CZ-CD2 3.92Å; Y249-H253 WeakPolarHBondContact O-CB 3.31Å; Y249-H253 PolarHBondContact O-N 3.09Å; Y249-H253 PolarHBondContact OH-CD2 3.2Å; Y249-H253 VanDerWaalsContact OH-CD2 3.26Å
250H79Confident80.9Confident122 Ų12267 Ų6757%0.56533%0.325SS*.Hα-helixtrans-63.4-36.4-175.2-152.342.5000111.1A246 L247 S254A246-H250 WeakPolarHBondContact O-CB 3.2Å; A246-H250 PolarHBondContact O-N 3.34Å; L247-H250 PolarHBondContact O-N 2.96Å; H250-S254 VanDerWaalsContact O-CB 3.3Å; H250-S254 WeakPolarHBondContact O-CB 3.29Å; H250-S254 PolarHBondContact O-N 3.28Å; H250-S254 PolarHBondContact O-OG 3.06Å
251N85.3Confident80.4Confident71 Ų7171 Ų7138%0.3834%0.337SS..Hα-helixtrans-66.7-44.9175.8-69.8-1.4000112.1L247 H248 Y249 S254 E255 R313L247-N251 WeakPolarHBondContact O-CB 3.48Å; L247-N251 PolarHBondContact O-N 3.22Å; L247-N251 PolarHBondContact O-OD1 3.38Å; H248-N251 PolarHBondContact O-N 2.81Å; Y249-N251 PolarHBondContact O-N 3.35Å; N251-S254 PolarHBondContact O-N 3.27Å; N251-E255 PolarHBondContact O-N 3.02Å; N251-R313 PolarHBondContact O-NH2 3.26Å
252I82.5Confident79.3Confident1 Ų175.8 Ų75.81%0.00536%0.362CS..Hα-helixtrans-67.4-45.4180-63179.8000110.4F195 I199 Y223 H248 Y249 S254 E255 L256 I309 R313F195-I252 HydrophobicContact CE1-CD1 4.21Å; F195-I252 HydrophobicContact CZ-CD1 3.91Å; I199-I252 HydrophobicContact CD1-CB 3.74Å; I199-I252 HydrophobicContact CD1-CD1 4.36Å; I199-I252 HydrophobicContact CD1-CG2 3.72Å; I199-I252 HydrophobicContact CG2-CG2 4.38Å; Y223-I252 HydrophobicContact CE1-CD1 3.82Å; H248-I252 WeakPolarHBondContact O-CG1 3.35Å; H248-I252 PolarHBondContact O-N 2.93Å; Y249-I252 PolarHBondContact O-N 2.96Å; I252-S254 PolarHBondContact O-N 3.36Å; I252-E255 PolarHBondContact O-N 3.32Å; I252-L256 HydrophobicContact CG2-CD1 4.1Å; I252-L256 PolarHBondContact O-N 3.28Å; I252-I309 HydrophobicContact CG2-CG2 4.1Å; I252-R313 VanDerWaalsContact N-NH1 3.19Å
253H79.3Confident78.1Confident58 Ų5876.2 Ų76.227%0.26936%0.361SS..Hα-helixtrans-61.1-31.6178.2-175.6-55.5000111.8S202 Y249 K257S202-H253 PolarHBondContact OG-CD2 2.75Å; S202-H253 VanDerWaalsContact OG-CD2 3.31Å; Y249-H253 HydrophobicContact CE2-CB 4.4Å; Y249-H253 AromaticContact CZ-CD2 3.92Å; Y249-H253 WeakPolarHBondContact O-CB 3.31Å; Y249-H253 PolarHBondContact O-N 3.09Å; Y249-H253 PolarHBondContact OH-CD2 3.2Å; Y249-H253 VanDerWaalsContact OH-CD2 3.26Å; H253-K257 WeakPolarHBondContact O-CB 3.41Å; H253-K257 PolarHBondContact O-N 3.05Å; H253-K257 VanDerWaalsContact O-N 3.13Å
254S78.4Confident76.8Confident58 Ų5875.8 Ų75.841%0.40636%0.362SS..Hα-helixtrans-70.8-46.1176.4-61.30000112.5H250 N251 I252 L256 K257 E258H250-S254 VanDerWaalsContact O-CB 3.3Å; H250-S254 WeakPolarHBondContact O-CB 3.29Å; H250-S254 PolarHBondContact O-N 3.28Å; H250-S254 PolarHBondContact O-OG 3.06Å; N251-S254 PolarHBondContact O-N 3.27Å; I252-S254 PolarHBondContact O-N 3.36Å; S254-L256 PolarHBondContact O-N 3.5Å; S254-K257 PolarHBondContact O-N 2.7Å; S254-E258 PolarHBondContact O-N 3.23Å
255E82Confident75.2Confident73 Ų7377.3 Ų77.334%0.34137%0.374SS..Hα-helixtrans-62.9-39.6174.9-79-167.797.900112.4N251 I252 K257 E258 K259 I309 R313N251-E255 PolarHBondContact O-N 3.02Å; I252-E255 PolarHBondContact O-N 3.32Å; E255-K257 VanDerWaalsContact C-N 3.31Å; E255-K257 PolarHBondContact O-N 2.91Å; E255-E258 PolarHBondContact O-N 3.43Å; E255-K259 WeakPolarHBondContact O-CB 3.37Å; E255-K259 WeakPolarHBondContact O-CG 3.36Å; E255-K259 PolarHBondContact O-N 3.14Å; E255-I309 HydrophobicContact CB-CD1 3.62Å; E255-I309 HydrophobicContact CB-CG1 3.95Å; E255-I309 HydrophobicContact CB-CG2 4.25Å; E255-R313 IonicContact OE2-CZ 2.67Å; E255-R313 IonicContact OE2-NE 3.34Å; E255-R313 PolarHBondContact OE2-NE 3.44Å; E255-R313 IonicContact OE2-NH2 2.7Å; E255-R313 PolarHBondContact OE2-NH2 2.82Å
256L78.4Confident72.5Confident13 Ų1381.4 Ų81.47%0.06840%0.403CS..Hα-helixtrans-59.9-41.4174.7-82.6170.8000112.1I199 I203 I252 S254 R260 D305 A306 I309I199-L256 HydrophobicContact CG2-CD1 3.8Å; I203-L256 HydrophobicContact CG1-CD1 4.14Å; I252-L256 HydrophobicContact CG2-CD1 4.1Å; I252-L256 PolarHBondContact O-N 3.28Å; S254-L256 PolarHBondContact O-N 3.5Å; L256-R260 WeakPolarHBondContact O-CB 3.29Å; L256-R260 PolarHBondContact O-N 3.44Å; L256-D305 HydrophobicContact CD2-CB 4.41Å; L256-A306 HydrophobicContact CD2-CB 3.93Å; L256-I309 HydrophobicContact CB-CD1 4.39Å; L256-I309 HydrophobicContact CD2-CD1 3.82Å; L256-I309 HydrophobicContact CG-CD1 3.78Å
257K75Confident70Confident146 Ų14683.4 Ų83.464%0.63541%0.411SS*.Hα-helixtrans-70.1-39178.3-167.8174-177.7179.30112H253 S254 E255 R260 R261H253-K257 WeakPolarHBondContact O-CB 3.41Å; H253-K257 PolarHBondContact O-N 3.05Å; H253-K257 VanDerWaalsContact O-N 3.13Å; S254-K257 PolarHBondContact O-N 2.7Å; E255-K257 VanDerWaalsContact C-N 3.31Å; E255-K257 PolarHBondContact O-N 2.91Å; K257-R260 PolarHBondContact O-N 2.96Å; K257-R261 WeakPolarHBondContact O-CB 3.37Å; K257-R261 PolarHBondContact O-N 3.48Å
258E76.9Confident67.4Low98 Ų9884.2 Ų84.246%0.45842%0.423SS..Hα-helixtrans-69.3-41177.1-163.963.1-168.100111.5S254 E255 R260 R261 L262S254-E258 PolarHBondContact O-N 3.23Å; E255-E258 PolarHBondContact O-N 3.43Å; E258-R260 PolarHBondContact O-N 3.35Å; E258-R261 CarbonylContact O-C 3.57Å; E258-R261 PolarHBondContact O-N 3.22Å; E258-L262 HydrophobicContact CG-CD1 4.41Å; E258-L262 WeakPolarHBondContact O-CB 3.48Å; E258-L262 WeakPolarHBondContact O-CG 3.39Å; E258-L262 PolarHBondContact O-N 2.86Å
259K72.5Confident64.6Low35 Ų3590 Ų9015%0.15246%0.455CS..Hα-helixtrans-58.6-44.2171.2-83.4-121.8176.3-171.40113E255 L262 R263 D305 E308 I309E255-K259 WeakPolarHBondContact O-CB 3.37Å; E255-K259 WeakPolarHBondContact O-CG 3.36Å; E255-K259 PolarHBondContact O-N 3.14Å; K259-L262 PolarHBondContact O-N 3.3Å; K259-R263 WeakPolarHBondContact O-CG 3.26Å; K259-R263 PolarHBondContact O-N 3.35Å; K259-R263 VanDerWaalsContact O-N 3.13Å; K259-D305 HydrophobicContact CB-CB 4.44Å; K259-D305 HydrophobicContact CD-CB 3.89Å; K259-D305 VanDerWaalsContact CD-CG 3.48Å; K259-D305 WeakPolarHBondContact CD-OD1 3.43Å; K259-D305 IonicContact NZ-OD1 3.72Å; K259-D305 PolarHBondContact NZ-OD1 3.03Å; K259-E308 WeakPolarHBondContact CE-OE1 3.34Å; K259-E308 IonicContact NZ-OE1 3.92Å; K259-E308 PolarHBondContact NZ-OE1 2.85Å; K259-E308 IonicContact NZ-OE2 2.74Å; K259-E308 PolarHBondContact NZ-OE2 2.82Å; K259-I309 HydrophobicContact CG-CD1 4.39Å
260R68.5Low61.8Low87 Ų8795.9 Ų95.933%0.32848%0.484SS..Hα-helixtrans-61.1-45.3174-168.7-177.8-69.8160.21.4111S202 L256 K257 E258 L262 R263 E264S202-R260 PolarHBondContact O-NH2 3.4Å; L256-R260 WeakPolarHBondContact O-CB 3.29Å; L256-R260 PolarHBondContact O-N 3.44Å; K257-R260 PolarHBondContact O-N 2.96Å; E258-R260 PolarHBondContact O-N 3.35Å; R260-L262 PolarHBondContact O-N 3.03Å; R260-R263 WeakPolarHBondContact O-CB 3.48Å; R260-R263 PolarHBondContact O-N 3.31Å; R260-E264 WeakPolarHBondContact CG-OE1 3.31Å; R260-E264 WeakPolarHBondContact O-CG 3.48Å; R260-E264 PolarHBondContact O-N 3.02Å
261R70.6Confident59.2Low163 Ų16398.2 Ų98.262%0.61550%0.5SS*.Hα-helixtrans-63.2-38176.7-169.8-178.5-176.1-179.11113.1K257 E258 E264 S265K257-R261 WeakPolarHBondContact O-CB 3.37Å; K257-R261 PolarHBondContact O-N 3.48Å; E258-R261 CarbonylContact O-C 3.57Å; E258-R261 PolarHBondContact O-N 3.22Å; R261-E264 CarbonylContact O-C 3.28Å; R261-E264 PolarHBondContact O-N 2.87Å; R261-S265 WeakPolarHBondContact O-CB 3.46Å; R261-S265 PolarHBondContact O-N 3.24Å; R261-S265 PolarHBondContact O-OG 2.77Å
262L67.9Low56.6Low100 Ų10097.6 Ų97.652%0.52451%0.511SS..Hα-helixtrans-64.2-40.6176.8-77165.7000111.4E258 K259 R260 S265 C266E258-L262 HydrophobicContact CG-CD1 4.41Å; E258-L262 WeakPolarHBondContact O-CB 3.48Å; E258-L262 WeakPolarHBondContact O-CG 3.39Å; E258-L262 PolarHBondContact O-N 2.86Å; K259-L262 PolarHBondContact O-N 3.3Å; R260-L262 PolarHBondContact O-N 3.03Å; L262-S265 WeakPolarHBondContact CA-OG 3.41Å; L262-S265 PolarHBondContact O-N 3.46Å; L262-S265 PolarHBondContact O-OG 3Å; L262-C266 PolarHBondContact O-N 2.97Å
263R62Low53.8Low96 Ų96105.8 Ų105.836%0.36256%0.555SS.*Hα-helixtrans-61.3-44.3171.3-67167175.6-831.8111.9K259 R260 S265 C266 D301 D305K259-R263 WeakPolarHBondContact O-CG 3.26Å; K259-R263 PolarHBondContact O-N 3.35Å; K259-R263 VanDerWaalsContact O-N 3.13Å; R260-R263 WeakPolarHBondContact O-CB 3.48Å; R260-R263 PolarHBondContact O-N 3.31Å; R263-S265 VanDerWaalsContact C-N 3.25Å; R263-S265 PolarHBondContact O-N 3.39Å; R263-C266 PolarHBondContact O-N 3.41Å; R263-D301 IonicContact CZ-OD2 2.63Å; R263-D301 IonicContact NH1-OD2 3.69Å; R263-D301 PolarHBondContact NH1-OD2 3.2Å; R263-D301 PolarHBondContact NH2-O 2.8Å; R263-D301 IonicContact NH2-OD2 2.84Å; R263-D305 IonicContact CZ-OD1 2.87Å; R263-D305 IonicContact CZ-OD2 2.71Å; R263-D305 IonicContact NE-OD1 2.7Å; R263-D305 IonicContact NE-OD2 2.68Å; R263-D305 PolarHBondContact NE-OD2 3.48Å; R263-D305 VanDerWaalsContact NH2-CG 3.27Å; R263-D305 IonicContact NH2-OD1 2.69Å; R263-D305 PolarHBondContact NH2-OD1 3.44Å; R263-D305 IonicContact NH2-OD2 2.94Å; R263-D305 PolarHBondContact NH2-OD2 2.86Å; R263-D305 VanDerWaalsContact NH2-OD2 3.16Å
264E56.4Low51.4Low145 Ų145110.4 Ų110.468%0.67858%0.58SS**Hα-helixtrans-66.8-23.9176.5-69163.9-177.200113R260 R261R260-E264 WeakPolarHBondContact CG-OE1 3.31Å; R260-E264 WeakPolarHBondContact O-CG 3.48Å; R260-E264 PolarHBondContact O-N 3.02Å; R261-E264 CarbonylContact O-C 3.28Å; R261-E264 PolarHBondContact O-N 2.87Å
265S48.5Very low49Very low79 Ų79111.8 Ų111.855%0.55259%0.589SS**Hα-helixtrans-86.6-9.5178.175.20000114.8R261 L262 R263 P267R261-S265 WeakPolarHBondContact O-CB 3.46Å; R261-S265 PolarHBondContact O-N 3.24Å; R261-S265 PolarHBondContact O-OG 2.77Å; L262-S265 WeakPolarHBondContact CA-OG 3.41Å; L262-S265 PolarHBondContact O-N 3.46Å; L262-S265 PolarHBondContact O-OG 3Å; R263-S265 VanDerWaalsContact C-N 3.25Å; R263-S265 PolarHBondContact O-N 3.39Å; S265-P267 WeakPolarHBondContact O-CD 3.47Å
266C30.3Very low46.5Very low95 Ų95115.7 Ų115.764%0.64261%0.613SS**SBendtrans-90.2112.8179.7-154.60000109.3L262 R263L262-C266 PolarHBondContact O-N 2.97Å; R263-C266 PolarHBondContact O-N 3.41Å
267P27.8Very low44.2Very low96 Ų96120.5 Ų120.562%0.62364%0.642SS**  trans-66.4146.4-173.3-2032.5000112.2S265 L269S265-P267 WeakPolarHBondContact O-CD 3.47Å; P267-L269 PolarHBondContact O-N 2.96Å
268P27.7Very low42Very low126 Ų126120.2 Ų120.282%0.81865%0.653SS**  trans-65.1107.816627.9-32.5000109.2Q270P268-Q270 PolarHBondContact O-N 3.49Å
269L24.2Very low39.6Very low172 Ų172124.1 Ų124.190%0.90167%0.671SS**  trans-72.765.9174.5-77.5173.1000111.4P267P267-L269 PolarHBondContact O-N 2.96Å
270Q25.1Very low37.8Very low179 Ų179127 Ų12784%0.83669%0.693SS**  trans-154.674166.8-118.8165.826.300112.9P268P268-Q270 PolarHBondContact O-N 3.49Å
271N25Very low35.7Very low171 Ų171128 Ų12891%0.91471%0.714SS**  trans-160.3138.6133.5-96-19.1000107.7
272G28.9Very low33.6Very low58 Ų58128 Ų12860%0.59872%0.721SS**  cis152.9128.2-6.600000110.8I274G272-I274 PolarHBondContact O-N 3.24Å
273D24.2Very low31.5Very low173 Ų173130.4 Ų130.493%0.92573%0.734SS**SBendtrans-71.9117.1159.9-79-49.1000108.2
274I28.6Very low29.8Very low156 Ų156129.9 Ų129.980%0.874%0.744SS**  trans-64.1119.8174.3-69.7168.3000107.2G272G272-I274 PolarHBondContact O-N 3.24Å
275S29.1Very low28.4Very low86 Ų86130.2 Ų130.260%0.60175%0.751SS**  cis95.2119.635.980.10000114.2
276D28.6Very low27.3Very low156 Ų156131.3 Ų131.383%0.83476%0.758SS**  trans-134.2122.5148.3-92-43.4000105.6
277V29.8Very low27.2Very low113 Ų113133.3 Ų133.369%0.68577%0.768SS**  70112.161.1-1780000109.5
278T29.8Very low27.1Very low141 Ų141133.9 Ų133.987%0.86577%0.774SS**  -150.4-179.467.2-46.20000112.6
279Q25.9Very low26.9Very low179 Ų179132.9 Ų132.984%0.83677%0.77SS**  trans-127.1-158-157.2-139-164.936.100113.5
280P34.5Very low27Very low95 Ų95133.2 Ų133.262%0.61777%0.767SS**  -131.9-172.9-118.445.6-27.9000118.9
281S25.3Very low27.1Very low109 Ų109131.9 Ų131.976%0.76277%0.765SS**  trans79.9164.6154.8-47.30000118.3
282E26.6Very low27.1Very low163 Ų163128.7 Ų128.776%0.76276%0.756SS**  cis-146.4155.913.7-88.3-161.7140.400114.5
283L24.4Very low26.9Very low151 Ų151133 Ų13379%0.79177%0.765SS**  trans46.8157.5141.9-83.974.2000123.4
284S25.8Very low27.2Very low84 Ų84134.6 Ų134.659%0.58776%0.764SS**  cis-165.9156.2-549.50000114.1
285N26.3Very low27.1Very low153 Ų153132.9 Ų132.982%0.81876%0.76SS**  trans66140.3151-65.4-13.5000119.8
286S26.2Very low27.2Very low101 Ų101134.9 Ų134.971%0.70676%0.764SS**  cis-170.9175-5.953.20000108.8
287V27.7Very low27.3Very low138 Ų138133.2 Ų133.284%0.83677%0.765SS**  cis-118.5-123.76.3-151.90000110.7
288S24.7Very low27.7Very low108 Ų108137.5 Ų137.576%0.75577%0.77SS**  cis-157.1-1751.9-155.60000111.7
289S23.4Very low28.3Very low105 Ų105134.6 Ų134.673%0.73475%0.75SS**  trans-58.6154.9178.6-45.50000114.1
290E26.9Very low29.6Very low178 Ų178132.8 Ų132.883%0.83274%0.741SS**  cis-147.8-179.99.8-146.1163.5-159.400112.9
291N27.2Very low30.5Very low151 Ų151130.8 Ų130.881%0.80773%0.725SS**  trans-65.4164.4-166.1-67.2-62000115.6
292S25.3Very low32.2Very low104 Ų104127.6 Ų127.673%0.72770%0.698SS**  cis-161.2175.930.2-159.20000115.8
293L25Very low34.2Very low148 Ų148119.9 Ų119.978%0.77566%0.662SS**  trans73.1116167.2-67.7169.1000120.2
294K29.7Very low36.3Very low208 Ų208115.8 Ų115.890%0.90465%0.646SS**  -166.4115.6110.2-109.3170.7-175.9175.70115.7
295T26.6Very low38.5Very low119 Ų119112.1 Ų112.173%0.7362%0.62SS**  trans-156.4154.316347.60000107.1
296N31.1Very low40.6Very low128 Ų128105 Ų10568%0.68458%0.582SS**  cis-140.9150-18.7-97.6-10.7000108.3Y298N296-Y298 PolarHBondContact O-N 3.2Å
297S31Very low42.8Very low122 Ų122101.9 Ų101.985%0.85356%0.557SS**SBendtrans-89.56.8-169-163.90000116.1
298Y38.1Very low45.2Very low202 Ų20297.6 Ų97.679%0.79253%0.528SS*.SBendtrans-104.3-29.1-166.9-130.3-97.9000114.9N296 Q300N296-Y298 PolarHBondContact O-N 3.2Å; Y298-Q300 PolarHBondContact O-N 3.06Å
299D43.2Very low47.7Very low81 Ų8192.5 Ų92.543%0.43349%0.492SS..THydrogen-bonded Turntrans-78.1-15.8-173.1-66.1-71.4000114.7D301D299-D301 PolarHBondContact O-N 3.1Å
300Q52.7Low50Low141 Ų14187.7 Ų87.766%0.65946%0.459SS*.Hα-helixtrans-74.7-25-170.7-158.8169.517.100113.5Y298 S304Y298-Q300 PolarHBondContact O-N 3.06Å; Q300-S304 PolarHBondContact O-OG 2.97Å
301D54Low52.2Low52 Ų5282.1 Ų82.128%0.27844%0.44SS..Hα-helixtrans-87.8-32.8-170.3-107.643.1000113.5R263 D299 F303 S304 D305 K1095R263-D301 IonicContact CZ-OD2 2.63Å; R263-D301 IonicContact NH1-OD2 3.69Å; R263-D301 PolarHBondContact NH1-OD2 3.2Å; R263-D301 PolarHBondContact NH2-O 2.8Å; R263-D301 IonicContact NH2-OD2 2.84Å; D299-D301 PolarHBondContact O-N 3.1Å; D301-F303 VanDerWaalsContact C-N 3.35Å; D301-F303 PolarHBondContact O-N 2.91Å; D301-S304 PolarHBondContact O-N 3.16Å; D301-D305 PolarHBondContact O-N 3.05Å; D301-K1095 VanDerWaalsContact CG-NZ 3.25Å; D301-K1095 IonicContact OD1-NZ 3.72Å; D301-K1095 PolarHBondContact OD1-NZ 3.49Å; D301-K1095 IonicContact OD2-NZ 3.54Å; D301-K1095 PolarHBondContact OD2-NZ 3.04Å
302Q60.7Low54.6Low42 Ų4279.6 Ų79.620%0.19642%0.421CS..Hα-helixtrans-70.2-29.6178.1-66-165.34400112.9S304 D305 A306Q302-S304 VanDerWaalsContact C-N 3.33Å; Q302-D305 PolarHBondContact O-N 3.3Å; Q302-A306 PolarHBondContact O-N 2.66Å
303F67.8Low56.9Low2 Ų276.1 Ų76.11%0.00939%0.392CS..Hα-helixtrans-67.6-36.2175.1-149.9-72.8000112.1I203 F204 R216 M217 D301 D305 A306 L307I203-F303 HydrophobicContact CG2-CB 4.2Å; I203-F303 HydrophobicContact CG2-CD2 3.31Å; I203-F303 HydrophobicContact CG2-CE2 3.6Å; I203-F303 HydrophobicContact CG2-CG 3.93Å; I203-F303 HydrophobicContact CG2-CZ 4.4Å; F204-F303 HydrophobicContact CD2-CD2 4.33Å; F204-F303 HydrophobicContact CD2-CE2 4.2Å; F204-F303 AromaticContact CE1-CD2 3.89Å; F204-F303 HydrophobicContact CE1-CD2 3.89Å; F204-F303 AromaticContact CE2-CD2 3.53Å; F204-F303 HydrophobicContact CE2-CD2 3.53Å; F204-F303 AromaticContact CE2-CE2 3.38Å; F204-F303 HydrophobicContact CE2-CE2 3.38Å; F204-F303 AromaticContact CZ-CD2 3.28Å; F204-F303 HydrophobicContact CZ-CD2 3.28Å; F204-F303 AromaticContact CZ-CE2 3.61Å; F204-F303 HydrophobicContact CZ-CE2 3.61Å; F204-F303 HydrophobicContact CZ-CG 4.39Å; R216-F303 VanDerWaalsContact C-CE1 3.47Å; R216-F303 HydrophobicContact CB-CD1 3.54Å; R216-F303 HydrophobicContact CB-CE1 3.27Å; R216-F303 HydrophobicContact CB-CG 4.46Å; R216-F303 HydrophobicContact CB-CZ 3.98Å; R216-F303 HydrophobicContact CG-CD1 4.42Å; M217-F303 HydrophobicContact CB-CE2 4.46Å; M217-F303 HydrophobicContact CB-CZ 4.19Å; M217-F303 HydrophobicContact CE-CE2 4.06Å; M217-F303 HydrophobicContact CE-CZ 4.43Å; D301-F303 VanDerWaalsContact C-N 3.35Å; D301-F303 PolarHBondContact O-N 2.91Å; F303-D305 VanDerWaalsContact C-N 3.35Å; F303-D305 PolarHBondContact O-N 2.82Å; F303-A306 PolarHBondContact O-N 3.38Å; F303-L307 HydrophobicContact CD1-CD1 4.08Å; F303-L307 HydrophobicContact CD1-CG 4.43Å; F303-L307 HydrophobicContact CE1-CD1 4Å; F303-L307 HydrophobicContact CE1-CG 4.13Å; F303-L307 PolarHBondContact O-N 2.95Å; F303-L307 VanDerWaalsContact O-N 3.12Å
304S68.2Low59Low65 Ų6571.4 Ų71.446%0.45537%0.366SS..Hα-helixtrans-64-39.3176.9-59.10000111.9Q300 D301 Q302 A306 L307 E308Q300-S304 PolarHBondContact O-OG 2.97Å; D301-S304 PolarHBondContact O-N 3.16Å; Q302-S304 VanDerWaalsContact C-N 3.33Å; S304-A306 VanDerWaalsContact C-N 3.31Å; S304-A306 PolarHBondContact O-N 2.83Å; S304-L307 PolarHBondContact O-N 3.49Å; S304-E308 WeakPolarHBondContact O-CB 3.36Å; S304-E308 PolarHBondContact O-N 3.47Å
305D73.8Confident60.8Low7 Ų766.1 Ų66.14%0.03735%0.345CS..Hα-helixtrans-59.7-41.6175-73.3-18.3000112.1L256 K259 R263 D301 Q302 F303 E308 I309L256-D305 HydrophobicContact CD2-CB 4.41Å; K259-D305 HydrophobicContact CB-CB 4.44Å; K259-D305 HydrophobicContact CD-CB 3.89Å; K259-D305 VanDerWaalsContact CD-CG 3.48Å; K259-D305 WeakPolarHBondContact CD-OD1 3.43Å; K259-D305 IonicContact NZ-OD1 3.72Å; K259-D305 PolarHBondContact NZ-OD1 3.03Å; R263-D305 IonicContact CZ-OD1 2.87Å; R263-D305 IonicContact CZ-OD2 2.71Å; R263-D305 IonicContact NE-OD1 2.7Å; R263-D305 IonicContact NE-OD2 2.68Å; R263-D305 PolarHBondContact NE-OD2 3.48Å; R263-D305 VanDerWaalsContact NH2-CG 3.27Å; R263-D305 IonicContact NH2-OD1 2.69Å; R263-D305 PolarHBondContact NH2-OD1 3.44Å; R263-D305 IonicContact NH2-OD2 2.94Å; R263-D305 PolarHBondContact NH2-OD2 2.86Å; R263-D305 VanDerWaalsContact NH2-OD2 3.16Å; D301-D305 PolarHBondContact O-N 3.05Å; Q302-D305 PolarHBondContact O-N 3.3Å; F303-D305 VanDerWaalsContact C-N 3.35Å; F303-D305 PolarHBondContact O-N 2.82Å; D305-E308 PolarHBondContact O-N 2.77Å; D305-I309 WeakPolarHBondContact O-CB 3.24Å; D305-I309 WeakPolarHBondContact O-CD1 3.18Å; D305-I309 VanDerWaalsContact O-CG1 3.27Å; D305-I309 WeakPolarHBondContact O-CG1 3.39Å; D305-I309 PolarHBondContact O-N 3.48Å
306A69.6Low62.6Low2 Ų264.8 Ų64.82%0.01733%0.33CS..Hα-helixtrans-65.5-42.7178.300000112.7I203 L256 Q302 F303 S304 V310I203-A306 HydrophobicContact CD1-CB 3.5Å; I203-A306 VanDerWaalsContact CD1-CB 3.5Å; I203-A306 HydrophobicContact CG1-CB 3.64Å; I203-A306 HydrophobicContact CG2-CB 4Å; L256-A306 HydrophobicContact CD2-CB 3.93Å; Q302-A306 PolarHBondContact O-N 2.66Å; F303-A306 PolarHBondContact O-N 3.38Å; S304-A306 VanDerWaalsContact C-N 3.31Å; S304-A306 PolarHBondContact O-N 2.83Å; A306-V310 WeakPolarHBondContact O-CB 3.47Å; A306-V310 WeakPolarHBondContact O-CG2 3.42Å; A306-V310 PolarHBondContact O-N 3.41Å
307L73.2Confident63.9Low36 Ų3660.5 Ų60.519%0.18831%0.307CS..Hα-helixtrans-68.5-35.5175.1-97.9170.3000112.3R216 Q219 F303 S304 V310 S311R216-L307 HydrophobicContact CB-CD1 3.83Å; R216-L307 HydrophobicContact CG-CD1 4.19Å; Q219-L307 HydrophobicContact CB-CD2 4.06Å; F303-L307 HydrophobicContact CD1-CD1 4.08Å; F303-L307 HydrophobicContact CD1-CG 4.43Å; F303-L307 HydrophobicContact CE1-CD1 4Å; F303-L307 HydrophobicContact CE1-CG 4.13Å; F303-L307 PolarHBondContact O-N 2.95Å; F303-L307 VanDerWaalsContact O-N 3.12Å; S304-L307 PolarHBondContact O-N 3.49Å; L307-V310 PolarHBondContact O-N 3.22Å; L307-S311 WeakPolarHBondContact O-CB 3.32Å; L307-S311 PolarHBondContact O-N 3.38Å; L307-S311 PolarHBondContact O-OG 3.32Å
308E77.6Confident65Low48 Ų4860 Ų6022%0.22429%0.291CS..Hα-helixtrans-67.8-41.4175.9-165.5-160.2116.700111.8K259 S304 D305 S311 K312K259-E308 WeakPolarHBondContact CE-OE1 3.34Å; K259-E308 IonicContact NZ-OE1 3.92Å; K259-E308 PolarHBondContact NZ-OE1 2.85Å; K259-E308 IonicContact NZ-OE2 2.74Å; K259-E308 PolarHBondContact NZ-OE2 2.82Å; S304-E308 WeakPolarHBondContact O-CB 3.36Å; S304-E308 PolarHBondContact O-N 3.47Å; D305-E308 PolarHBondContact O-N 2.77Å; E308-S311 PolarHBondContact O-N 3.19Å; E308-K312 HydrophobicContact CG-CD 4.4Å; E308-K312 WeakPolarHBondContact O-CB 3.45Å; E308-K312 WeakPolarHBondContact O-CG 3.22Å; E308-K312 PolarHBondContact O-N 2.89Å; E308-K312 WeakPolarHBondContact OE1-CE 3.38Å; E308-K312 IonicContact OE1-NZ 3.31Å; E308-K312 PolarHBondContact OE1-NZ 2.93Å
309I76.1Confident65.7Low1 Ų156.8 Ų56.81%0.00528%0.278CS..Hα-helixtrans-63.3-43.1173.6-70.2160.9000110.5I252 E255 L256 K259 D305 R313I252-I309 HydrophobicContact CG2-CG2 4.1Å; E255-I309 HydrophobicContact CB-CD1 3.62Å; E255-I309 HydrophobicContact CB-CG1 3.95Å; E255-I309 HydrophobicContact CB-CG2 4.25Å; L256-I309 HydrophobicContact CB-CD1 4.39Å; L256-I309 HydrophobicContact CD2-CD1 3.82Å; L256-I309 HydrophobicContact CG-CD1 3.78Å; K259-I309 HydrophobicContact CG-CD1 4.39Å; D305-I309 WeakPolarHBondContact O-CB 3.24Å; D305-I309 WeakPolarHBondContact O-CD1 3.18Å; D305-I309 VanDerWaalsContact O-CG1 3.27Å; D305-I309 WeakPolarHBondContact O-CG1 3.39Å; D305-I309 PolarHBondContact O-N 3.48Å; I309-R313 WeakPolarHBondContact O-CB 3.33Å; I309-R313 WeakPolarHBondContact O-CG 3.41Å; I309-R313 PolarHBondContact O-N 2.98Å
310V71.6Confident65.8Low5 Ų556.6 Ų56.63%0.0327%0.274CS..Hα-helixtrans-61.8-47173.7161.50000111.4F220 Y223 A306 L307 R313 E314F220-V310 HydrophobicContact CD2-CG2 3.85Å; F220-V310 HydrophobicContact CE2-CG2 4.14Å; Y223-V310 HydrophobicContact CD1-CG1 4.2Å; Y223-V310 HydrophobicContact CD1-CG2 3.83Å; Y223-V310 HydrophobicContact CD2-CG1 3.71Å; Y223-V310 HydrophobicContact CE1-CG2 4.17Å; Y223-V310 HydrophobicContact CE2-CG1 4.38Å; Y223-V310 HydrophobicContact CG-CB 4.46Å; Y223-V310 HydrophobicContact CG-CG1 3.6Å; Y223-V310 HydrophobicContact CG-CG2 4.11Å; A306-V310 WeakPolarHBondContact O-CB 3.47Å; A306-V310 WeakPolarHBondContact O-CG2 3.42Å; A306-V310 PolarHBondContact O-N 3.41Å; L307-V310 PolarHBondContact O-N 3.22Å; V310-R313 CarbonylContact O-C 3.47Å; V310-R313 PolarHBondContact O-N 3.4Å; V310-E314 WeakPolarHBondContact O-CB 3.2Å; V310-E314 PolarHBondContact O-N 2.81Å
311S74.5Confident65.3Low61 Ų6152.3 Ų52.343%0.42726%0.255SS..Hα-helixtrans-61.7-47.4177.2-72.60000112.2L307 E308 R313 E314 E315L307-S311 WeakPolarHBondContact O-CB 3.32Å; L307-S311 PolarHBondContact O-N 3.38Å; L307-S311 PolarHBondContact O-OG 3.32Å; E308-S311 PolarHBondContact O-N 3.19Å; S311-R313 PolarHBondContact O-N 2.8Å; S311-E314 PolarHBondContact O-N 3.49Å; S311-E315 WeakPolarHBondContact O-CB 3.13Å; S311-E315 WeakPolarHBondContact O-CG 3.3Å; S311-E315 PolarHBondContact O-N 3.1Å
312K78.1Confident64.4Low98 Ų9856.1 Ų56.143%0.42627%0.269SS..Hα-helixtrans-58.5-35.6175.9-81.3173.6170.6169.10112.5E308 Q316E308-K312 HydrophobicContact CG-CD 4.4Å; E308-K312 WeakPolarHBondContact O-CB 3.45Å; E308-K312 WeakPolarHBondContact O-CG 3.22Å; E308-K312 PolarHBondContact O-N 2.89Å; E308-K312 WeakPolarHBondContact OE1-CE 3.38Å; E308-K312 IonicContact OE1-NZ 3.31Å; E308-K312 PolarHBondContact OE1-NZ 2.93Å; K312-Q316 VanDerWaalsContact O-CB 3.26Å; K312-Q316 WeakPolarHBondContact O-CB 3.09Å; K312-Q316 PolarHBondContact O-N 3.49Å
313R73.4Confident63.4Low30 Ų3058.1 Ų58.111%0.11328%0.284CS..Hα-helixtrans-83.1-29.5176.9-71.2178.3-177.8-146.62114N251 I252 E255 I309 V310 S311 E315 Q316 I317N251-R313 PolarHBondContact O-NH2 3.26Å; I252-R313 VanDerWaalsContact N-NH1 3.19Å; E255-R313 IonicContact OE2-CZ 2.67Å; E255-R313 IonicContact OE2-NE 3.34Å; E255-R313 PolarHBondContact OE2-NE 3.44Å; E255-R313 IonicContact OE2-NH2 2.7Å; E255-R313 PolarHBondContact OE2-NH2 2.82Å; I309-R313 WeakPolarHBondContact O-CB 3.33Å; I309-R313 WeakPolarHBondContact O-CG 3.41Å; I309-R313 PolarHBondContact O-N 2.98Å; V310-R313 CarbonylContact O-C 3.47Å; V310-R313 PolarHBondContact O-N 3.4Å; S311-R313 PolarHBondContact O-N 2.8Å; R313-E315 VanDerWaalsContact C-N 3.34Å; R313-Q316 PolarHBondContact O-N 2.91Å; R313-I317 VanDerWaalsContact O-CB 3.32Å; R313-I317 WeakPolarHBondContact O-CB 3.33Å; R313-I317 WeakPolarHBondContact O-CD1 3.31Å; R313-I317 WeakPolarHBondContact O-CG1 3.41Å; R313-I317 PolarHBondContact O-N 3.48Å
314E67.6Low61.7Low50 Ų5063 Ų6323%0.23431%0.307CS..Hα-helixtrans-71.3-35.9172.3-155.7174.4140.200110.1Y223 R226 V310 S311 Q318Y223-E314 HydrophobicContact CD2-CB 4.38Å; Y223-E314 HydrophobicContact CD2-CG 4.46Å; Y223-E314 HydrophobicContact CE2-CB 4.38Å; R226-E314 IonicContact CZ-OE1 3.77Å; R226-E314 IonicContact CZ-OE2 3.33Å; R226-E314 IonicContact NH1-OE1 2.76Å; R226-E314 PolarHBondContact NH1-OE1 3.05Å; R226-E314 IonicContact NH1-OE2 2.77Å; R226-E314 VanDerWaalsContact NH2-CD 3.34Å; R226-E314 IonicContact NH2-OE1 2.76Å; R226-E314 PolarHBondContact NH2-OE1 3.25Å; R226-E314 IonicContact NH2-OE2 3.06Å; R226-E314 PolarHBondContact NH2-OE2 3.25Å; V310-E314 WeakPolarHBondContact O-CB 3.2Å; V310-E314 PolarHBondContact O-N 2.81Å; S311-E314 PolarHBondContact O-N 3.49Å; E314-Q318 WeakPolarHBondContact O-CB 3.42Å; E314-Q318 WeakPolarHBondContact O-CG 3.27Å; E314-Q318 PolarHBondContact O-N 3.29Å; E314-Q318 PolarHBondContact O-NE2 3.44Å
315E68.5Low60Low97 Ų9762.5 Ų62.545%0.45330%0.301SS..Hα-helixtrans-64.3-45164.2-76.2-178.9-143.400112.7S311 R313 Q318 R319S311-E315 WeakPolarHBondContact O-CB 3.13Å; S311-E315 WeakPolarHBondContact O-CG 3.3Å; S311-E315 PolarHBondContact O-N 3.1Å; R313-E315 VanDerWaalsContact C-N 3.34Å; E315-Q318 CarbonylContact O-C 3.51Å; E315-Q318 WeakPolarHBondContact O-CA 3.27Å; E315-Q318 WeakPolarHBondContact O-CB 3.47Å; E315-Q318 PolarHBondContact O-N 3.14Å; E315-Q318 VanDerWaalsContact O-N 3.13Å; E315-R319 WeakPolarHBondContact O-CG 3.25Å; E315-R319 PolarHBondContact O-N 3Å; E315-R319 IonicContact OE2-CZ 2.7Å; E315-R319 IonicContact OE2-NH2 2.66Å; E315-R319 PolarHBondContact OE2-NH2 3.26Å
316Q63.4Low57.9Low91 Ų9165.9 Ų65.943%0.42533%0.33SS..Hα-helixtrans-63.9-43.3179.7-178.2171.4-17.900110.9K312 R313 Q318 R319 E320K312-Q316 VanDerWaalsContact O-CB 3.26Å; K312-Q316 WeakPolarHBondContact O-CB 3.09Å; K312-Q316 PolarHBondContact O-N 3.49Å; R313-Q316 PolarHBondContact O-N 2.91Å; Q316-Q318 VanDerWaalsContact C-N 3.28Å; Q316-Q318 PolarHBondContact O-N 3.34Å; Q316-R319 CarbonylContact O-C 3.59Å; Q316-R319 WeakPolarHBondContact O-CA 3.44Å; Q316-R319 WeakPolarHBondContact O-CB 3.04Å; Q316-R319 PolarHBondContact O-N 2.98Å; Q316-E320 HydrophobicContact CG-CG 4.29Å; Q316-E320 VanDerWaalsContact CG-OE1 3.3Å; Q316-E320 WeakPolarHBondContact CG-OE1 3.46Å; Q316-E320 PolarHBondContact NE2-OE1 3.32Å; Q316-E320 WeakPolarHBondContact O-CB 3.5Å; Q316-E320 WeakPolarHBondContact O-CG 3.35Å; Q316-E320 PolarHBondContact O-N 2.98Å
317I59.8Low55.7Low37 Ų3769.7 Ų69.719%0.1935%0.353CS..Hα-helixtrans-63.3-34.8172.4-69.2164.4000110.7Y223 R313 R319 E320 I321Y223-I317 HydrophobicContact CE2-CD1 4.43Å; R313-I317 VanDerWaalsContact O-CB 3.32Å; R313-I317 WeakPolarHBondContact O-CB 3.33Å; R313-I317 WeakPolarHBondContact O-CD1 3.31Å; R313-I317 WeakPolarHBondContact O-CG1 3.41Å; R313-I317 PolarHBondContact O-N 3.48Å; I317-R319 VanDerWaalsContact C-N 3.31Å; I317-R319 PolarHBondContact O-N 3.05Å; I317-E320 PolarHBondContact O-N 3.48Å; I317-I321 HydrophobicContact CG2-CD1 3.69Å; I317-I321 HydrophobicContact CG2-CG1 4.33Å; I317-I321 VanDerWaalsContact O-CB 3.25Å; I317-I321 WeakPolarHBondContact O-CB 3.44Å; I317-I321 WeakPolarHBondContact O-CG1 3.39Å; I317-I321 PolarHBondContact O-N 3.19Å
318Q53.9Low53.5Low111 Ų11177 Ų7752%0.51939%0.387SS..Hα-helixtrans-72.4-19.5171.8-73.717045.700114E314 E315 Q316 K322E314-Q318 WeakPolarHBondContact O-CB 3.42Å; E314-Q318 WeakPolarHBondContact O-CG 3.27Å; E314-Q318 PolarHBondContact O-N 3.29Å; E314-Q318 PolarHBondContact O-NE2 3.44Å; E315-Q318 CarbonylContact O-C 3.51Å; E315-Q318 WeakPolarHBondContact O-CA 3.27Å; E315-Q318 WeakPolarHBondContact O-CB 3.47Å; E315-Q318 PolarHBondContact O-N 3.14Å; E315-Q318 VanDerWaalsContact O-N 3.13Å; Q316-Q318 VanDerWaalsContact C-N 3.28Å; Q316-Q318 PolarHBondContact O-N 3.34Å; Q318-K322 WeakPolarHBondContact O-CB 3.28Å
319R52.3Low51Low135 Ų13577.6 Ų77.651%0.50940%0.396SS..Hα-helixtrans-86.7-35.2170.2-69.8177.8-123155.4-5.4111.5E315 Q316 I317 K322 V323E315-R319 WeakPolarHBondContact O-CG 3.25Å; E315-R319 PolarHBondContact O-N 3Å; E315-R319 IonicContact OE2-CZ 2.7Å; E315-R319 IonicContact OE2-NH2 2.66Å; E315-R319 PolarHBondContact OE2-NH2 3.26Å; Q316-R319 CarbonylContact O-C 3.59Å; Q316-R319 WeakPolarHBondContact O-CA 3.44Å; Q316-R319 WeakPolarHBondContact O-CB 3.04Å; Q316-R319 PolarHBondContact O-N 2.98Å; I317-R319 VanDerWaalsContact C-N 3.31Å; I317-R319 PolarHBondContact O-N 3.05Å; R319-K322 CarbonylContact O-C 3.48Å; R319-K322 VanDerWaalsContact O-C 3.28Å; R319-K322 VanDerWaalsContact O-CA 3.28Å; R319-K322 WeakPolarHBondContact O-CA 3.14Å; R319-K322 WeakPolarHBondContact O-CB 2.86Å; R319-K322 PolarHBondContact O-N 3.38Å; R319-V323 VanDerWaalsContact O-CG2 3.32Å; R319-V323 WeakPolarHBondContact O-CG2 3.32Å; R319-V323 PolarHBondContact O-N 3.49Å; R319-V323 VanDerWaalsContact O-N 3.13Å
320E44.6Very low48.7Very low77 Ų7783.6 Ų83.636%0.3644%0.438SS..Hα-helixtrans-72.6-40.2175.8-73.4166.1177.300110.6Q316 I317 K322 V323 E324Q316-E320 HydrophobicContact CG-CG 4.29Å; Q316-E320 VanDerWaalsContact CG-OE1 3.3Å; Q316-E320 WeakPolarHBondContact CG-OE1 3.46Å; Q316-E320 PolarHBondContact NE2-OE1 3.32Å; Q316-E320 WeakPolarHBondContact O-CB 3.5Å; Q316-E320 WeakPolarHBondContact O-CG 3.35Å; Q316-E320 PolarHBondContact O-N 2.98Å; I317-E320 PolarHBondContact O-N 3.48Å; E320-K322 PolarHBondContact O-N 3.22Å; E320-V323 CarbonylContact O-C 3.55Å; E320-V323 PolarHBondContact O-N 3.43Å; E320-E324 WeakPolarHBondContact O-CB 3.22Å; E320-E324 PolarHBondContact O-N 3.35Å
321I43.3Very low46.5Very low52 Ų5288.3 Ų88.327%0.26747%0.471SS..THydrogen-bonded Turntrans-63-7.3165.9-68168.9000112.2I317 V325I317-I321 HydrophobicContact CG2-CD1 3.69Å; I317-I321 HydrophobicContact CG2-CG1 4.33Å; I317-I321 VanDerWaalsContact O-CB 3.25Å; I317-I321 WeakPolarHBondContact O-CB 3.44Å; I317-I321 WeakPolarHBondContact O-CG1 3.39Å; I317-I321 PolarHBondContact O-N 3.19Å; I321-V325 VanDerWaalsContact O-CG2 3.26Å; I321-V325 WeakPolarHBondContact O-CG2 3.3Å
322K35.6Very low44.3Very low131 Ų13193.4 Ų93.457%0.5749%0.494SS*.THydrogen-bonded Turntrans-108.22.7174.4-151.9178.5-178-177.90112.8Q318 R319 E320Q318-K322 WeakPolarHBondContact O-CB 3.28Å; R319-K322 CarbonylContact O-C 3.48Å; R319-K322 VanDerWaalsContact O-C 3.28Å; R319-K322 VanDerWaalsContact O-CA 3.28Å; R319-K322 WeakPolarHBondContact O-CA 3.14Å; R319-K322 WeakPolarHBondContact O-CB 2.86Å; R319-K322 PolarHBondContact O-N 3.38Å; E320-K322 PolarHBondContact O-N 3.22Å
323V39.5Very low41.9Very low85 Ų8594 Ų9452%0.51551%0.51SS..THydrogen-bonded Turntrans-132.3-38.4-177.2171.40000112.4R319 E320 V325 A326 T327R319-V323 VanDerWaalsContact O-CG2 3.32Å; R319-V323 WeakPolarHBondContact O-CG2 3.32Å; R319-V323 PolarHBondContact O-N 3.49Å; R319-V323 VanDerWaalsContact O-N 3.13Å; E320-V323 CarbonylContact O-C 3.55Å; E320-V323 PolarHBondContact O-N 3.43Å; V323-V325 PolarHBondContact O-N 3.12Å; V323-A326 CarbonylContact O-C 3.21Å; V323-A326 WeakPolarHBondContact O-CA 3.34Å; V323-A326 WeakPolarHBondContact O-CB 3.46Å; V323-A326 PolarHBondContact O-N 3.45Å; V323-T327 PolarHBondContact O-N 2.96Å; V323-T327 PolarHBondContact O-OG1 2.75Å
324E31.2Very low39.8Very low105 Ų10596.8 Ų96.849%0.49153%0.534SS..THydrogen-bonded Turntrans-62.3-15.7165.6-67.9-178.313200112.5K234 E320 A326K234-E324 IonicContact NZ-OE1 3.66Å; K234-E324 PolarHBondContact NZ-OE1 3.06Å; K234-E324 IonicContact NZ-OE2 2.82Å; K234-E324 PolarHBondContact NZ-OE2 2.79Å; E320-E324 WeakPolarHBondContact O-CB 3.22Å; E320-E324 PolarHBondContact O-N 3.35Å; E324-A326 PolarHBondContact O-N 3.37Å
325V32.7Very low37.9Very low53 Ų53101.6 Ų101.632%0.32156%0.562SS.*THydrogen-bonded Turntrans-81.61.6169.1176.90000111.4I321 V323 E474I321-V325 VanDerWaalsContact O-CG2 3.26Å; I321-V325 WeakPolarHBondContact O-CG2 3.3Å; V323-V325 PolarHBondContact O-N 3.12Å; V325-E474 HydrophobicContact CG1-CG 4.17Å
326A29.1Very low35.9Very low79 Ų79102.4 Ų102.465%0.65358%0.578SS**SBendtrans-132.6-2.1-176.600000114.9V323 E324V323-A326 CarbonylContact O-C 3.21Å; V323-A326 WeakPolarHBondContact O-CA 3.34Å; V323-A326 WeakPolarHBondContact O-CB 3.46Å; V323-A326 PolarHBondContact O-N 3.45Å; E324-A326 PolarHBondContact O-N 3.37Å
327T24.8Very low34.3Very low82 Ų82103.1 Ų103.150%0.50360%0.599SS.*SBendtrans-142.8130.8179.3520000113.6V323V323-T327 PolarHBondContact O-N 2.96Å; V323-T327 PolarHBondContact O-OG1 2.75Å
328E26.2Very low32.8Very low189 Ų189104.7 Ų104.788%0.88363%0.625SS**  trans69.785.8160.7-61.8-178-160.600119.2
329S24.9Very low31.6Very low61 Ų61105.4 Ų105.443%0.42764%0.637SS.*  trans-106.2119.3131.371.30000109.9E468S329-E468 VanDerWaalsContact CB-OE2 3.31Å; S329-E468 WeakPolarHBondContact CB-OE2 3.46Å; S329-E468 PolarHBondContact OG-OE2 2.93Å
330S27.8Very low30.4Very low126 Ų126106.2 Ų106.288%0.88165%0.65SS**  trans-166111.4167.3-85.60000110
331S26.2Very low29.6Very low105 Ų105110 Ų11073%0.73467%0.668SS**  trans-146.3115.4174.759.70000110.4
332N27.9Very low28.9Very low167 Ų167112.3 Ų112.389%0.89368%0.68SS**  trans-98.5115.4175-74.63000110.8
333S27.5Very low28.7Very low110 Ų110113 Ų11377%0.76968%0.684SS**  trans-79.5177.1135.953.50000108.3
334S28.7Very low28.2Very low89 Ų89114.6 Ų114.662%0.62269%0.689SS**  cis-152.8176.119.449.70000112.1
335D28Very low28.1Very low152 Ų152114.8 Ų114.881%0.81369%0.693SS**  -175.7164.3110.2-90.31000112.6
336S26.7Very low28Very low114 Ų114119.1 Ų119.180%0.79771%0.708SS**  trans-146.7150.3-156.8-67.40000116.3
337A30.5Very low27.8Very low105 Ų105121.4 Ų121.487%0.86871%0.705SS**  trans79.1157.5144.100000122.3
338G28Very low28.1Very low70 Ų70124.3 Ų124.372%0.72272%0.718SS**  trans117.795.2-169.400000111.9
339V28.5Very low28.2Very low127 Ų127119.4 Ų119.477%0.7770%0.704SS**  cis87.6144.49.9-175.10000115.5
340L25.6Very low28.3Very low151 Ų151124.2 Ų124.279%0.79173%0.725SS**  trans80.1147.7-169.2-49.3-176.9000114.1
341E28.8Very low28.2Very low157 Ų157122.5 Ų122.573%0.73471%0.713SS**  cis-131.2133.47.2-77.9-169.8150.900108.8
342D29.5Very low28.6Very low100 Ų100123.3 Ų123.354%0.53572%0.716SS.*  93.4154.491-74.4-10.5000114.5
343K31Very low28.6Very low147 Ų147121.8 Ų121.864%0.63970%0.704SS**  cis-161.2161.9-6.1-117.9168-175.21330112.2
344D28.9Very low28.6Very low117 Ų117122.3 Ų122.363%0.62670%0.702SS**  trans63.2148.1138-66.6-6.1000122.4
345N29.5Very low28.6Very low109 Ų109124.1 Ų124.158%0.58370%0.698SS**  cis-168.6155.2-18.3-115.1-28.4000112.5
346K28.9Very low28.5Very low144 Ų144126.3 Ų126.363%0.62670%0.697SS**  trans52.2167.3137.8-67.8162.4160.3-850120.2
347E26.7Very low28.5Very low128 Ų128129 Ų12960%0.59870%0.696SS**  cis-145.5170.2-20.2-115151.5170.700105.5
348D29.3Very low28.8Very low142 Ų142129.1 Ų129.176%0.75969%0.688SS**  cis-141.616139.3-89.6-55.5000110.6
349S28.2Very low28.7Very low86 Ų86132.2 Ų132.260%0.60169%0.693SS**  69.6142.351-40.90000113
350N27Very low28.5Very low163 Ų163130 Ų13087%0.87269%0.688SS**  cis-152.7171.519-159.70.6000112.7
351S26.7Very low28.4Very low90 Ų90128.3 Ų128.363%0.62969%0.689SS**  trans-112.3158.9171-1730000110.9
352P34.7Very low28.4Very low121 Ų121127.6 Ų127.679%0.78670%0.695SS**  -151.7175.8113.532.1-12.3000114.1
353E27.5Very low28.4Very low136 Ų136131.1 Ų131.164%0.63671%0.708SS**  cis-176.8-173.3-29.2-160.7-146.2178.200106.6K355E353-K355 WeakPolarHBondContact OE1-CE 3.42Å; E353-K355 IonicContact OE1-NZ 3.16Å; E353-K355 PolarHBondContact OE1-NZ 3.36Å; E353-K355 IonicContact OE2-NZ 3.69Å; E353-K355 PolarHBondContact OE2-NZ 3.11Å
354V28.5Very low28.5Very low121 Ų121129.2 Ų129.273%0.73371%0.711SS**  trans81.4134.6172.9-170.90000114.9
355K27.5Very low28.4Very low126 Ų126127.8 Ų127.855%0.54871%0.71SS.*  cis-175176.1-34.7-103.7151.1-167.1155.30106.6E353E353-K355 WeakPolarHBondContact OE1-CE 3.42Å; E353-K355 IonicContact OE1-NZ 3.16Å; E353-K355 PolarHBondContact OE1-NZ 3.36Å; E353-K355 IonicContact OE2-NZ 3.69Å; E353-K355 PolarHBondContact OE2-NZ 3.11Å
356Y25.8Very low28.4Very low199 Ų199131.3 Ų131.378%0.7872%0.723SS**  cis-141-104.913.6-141.5-14.8000114.6
357H26.7Very low28.2Very low169 Ų169128.6 Ų128.678%0.78272%0.722SS**  trans-152173.3-161.9-94.4-64.7000114.4
358P38.2Very low28.5Very low108 Ų108129.4 Ų129.470%0.70173%0.73SS**  trans-133.3-156.8-148.838.7-17000115.9
359V24.3Very low28.5Very low135 Ų135126.9 Ų126.982%0.81872%0.72SS**  trans118.4130.6153179.60000118.6
360A26Very low28.7Very low82 Ų82131.1 Ų131.168%0.67873%0.728SS**  trans79.9121.615100000125.3
361S22.9Very low28.8Very low115 Ų115128.5 Ų128.580%0.80472%0.718SS**  78.2126.5120.6-63.80000126.1
362V28.7Very low29.1Very low142 Ų142132.5 Ų132.586%0.86172%0.724SS**  trans89.2153.6140.5173.70000120.5
363E28.9Very low29.1Very low174 Ų174133.7 Ų133.781%0.81372%0.723SS**  trans-80.6-165.2-172.5-49-172139.800113.3
364P34.4Very low29.3Very low106 Ų106133.5 Ų133.569%0.68873%0.726SS**  cis-150.5176.18.545.3-23.3000121.3
365S26.5Very low29.6Very low88 Ų88134.9 Ų134.962%0.61572%0.724SS**  trans47.4136.913768.50000127
366E29.3Very low29.9Very low182 Ų182136.2 Ų136.285%0.8573%0.73SS**  trans71.8162.8134.8-73.1168.5-158.200122.1
367S25.3Very low30.2Very low87 Ų87131.7 Ų131.761%0.60872%0.723SS**  cis-175.9155.1-40.161.80000112.8
368D31.2Very low30.4Very low145 Ų145130.3 Ų130.378%0.77572%0.722SS**  trans63.4159.7151.1-82.56.3000121.3
369T30.9Very low30.3Very low89 Ų89133 Ų13355%0.54673%0.729SS.*  cis-162.2163.9-7.119.70000115.7
370K32Very low30.6Very low175 Ų175135.2 Ų135.276%0.76173%0.731SS**  trans76.4157.2142.3-77.2161.1-166.4148.50121
371T29.9Very low30.8Very low109 Ų109135.7 Ų135.767%0.66973%0.729SS**  cis-158.6149.73.72.30000115.8
372K33Very low31.2Very low174 Ų174137.6 Ų137.676%0.75773%0.73SS**  trans70.6153.2144.4-75.4-178.4172.7-158.20120.9
373I33.8Very low31.3Very low146 Ų146135.2 Ų135.275%0.74973%0.725SS**  cis-145.6-167.821.5-149.8158.2000115
374D32.6Very low31.5Very low132 Ų132132.9 Ų132.971%0.70673%0.725SS**  trans-106.4-171.8-164.6-38.1-91.9000113.3
375E34.5Very low31.4Very low150 Ų150136.1 Ų136.170%0.70173%0.731SS**  cis-169172.514-148.6-153.2156.600113.4
376K34.1Very low31.7Very low153 Ų153137.4 Ų137.467%0.66574%0.737SS**  trans70.3150.8158.5-78.8-179.9172.170.10122.8
377T31.8Very low31.6Very low105 Ų105135 Ų13564%0.64474%0.735SS**  cis-155.4150.13.950000114.5
378D30.7Very low31.8Very low140 Ų140134.6 Ų134.675%0.74975%0.745SS**  trans41.3132.3143.6-47.3-18.5000126.6
379L35.9Very low31.6Very low164 Ų164132.5 Ų132.586%0.85974%0.742SS**  177.9172.2114.8-95.7171.1000115.1
380E29.6Very low31.7Very low182 Ų182135.1 Ų135.185%0.8575%0.753SS**  trans-85.4-178.4-171.5-57.7165.7110.100113.5
381S30.2Very low31.6Very low92 Ų92133.1 Ų133.164%0.64375%0.746SS**  cis-162176.922.3680000115.7
382D32.7Very low31.6Very low155 Ų155138.2 Ų138.283%0.82976%0.759SS**  trans68.6142.8151-58.8-46.3000124.6
383A31.2Very low31.4Very low91 Ų91137.4 Ų137.475%0.75276%0.755SS**  trans-134.1157161.600000108.7
384P33.1Very low31.2Very low126 Ų126137.3 Ų137.382%0.81876%0.762SS**  -149.3168.6112.139.4-24.8000115.3
385E31.3Very low30.9Very low174 Ų174138.8 Ų138.881%0.81377%0.77SS**  trans-69.9162.5158.1-56.3-168.115300110.9
386P32.2Very low30.8Very low114 Ų114136.3 Ų136.374%0.7478%0.775SS**  -146.514992.538.3-22.7000116.6
387T28.8Very low30.6Very low131 Ų131137.7 Ų137.780%0.80478%0.784SS**  trans9.1127.3146.661.90000120.3
388G28.6Very low30.4Very low79 Ų79137.9 Ų137.981%0.81480%0.796SS**  trans173.2129.615800000114.4
389S26.9Very low30.5Very low102 Ų102135.9 Ų135.971%0.71379%0.793SS**  trans-79.5160.4165.961.70000109.6
390D32.5Very low30.2Very low144 Ų144136.2 Ų136.277%0.7778%0.783SS**  cis-157.417243.1-104-62.1000116.1
391E29.9Very low30.3Very low133 Ų133133.4 Ų133.462%0.62177%0.77SS**  trans-23.9138.6179.6-56.8-163.212200121K393E391-K393 WeakPolarHBondContact OE1-CE 3.32Å; E391-K393 IonicContact OE1-NZ 2.65Å; E391-K393 PolarHBondContact OE1-NZ 3.42Å; E391-K393 IonicContact OE2-NZ 2.68Å
392K31.4Very low30.7Very low215 Ų215133.9 Ų133.994%0.93577%0.771SS**  -153.9154.3111.8-113.9162.3-171.3167.80114.2
393K27.1Very low31.4Very low157 Ų157132.4 Ų132.468%0.68376%0.761SS**  trans-103144.8-168-64.5159.8-179.6130.50112.1E391E391-K393 WeakPolarHBondContact OE1-CE 3.32Å; E391-K393 IonicContact OE1-NZ 2.65Å; E391-K393 PolarHBondContact OE1-NZ 3.42Å; E391-K393 IonicContact OE2-NZ 2.68Å
394T30.4Very low32.8Very low145 Ų145135.5 Ų135.589%0.8975%0.754SS**  trans-154.4149146.317.70000110.2
395D26.7Very low34.7Very low162 Ų162136.6 Ų136.687%0.86674%0.742SS**  trans-83.3150.9-164.3-57.4-101.2000116.3
396A31.8Very low37.3Very low99 Ų99132.2 Ų132.282%0.81872%0.718SS**  trans-14771.8163.500000113
397Q30.7Very low39.9Very low181 Ų181132.5 Ų132.585%0.84671%0.712SS**  trans34.384.9149.1-61-179.3-9.400119.5S399Q397-S399 PolarHBondContact O-N 3.16Å
398A27.8Very low42.8Very low109 Ų109127.2 Ų127.290%0.90168%0.677SS**  trans-80.486.8149.500000109.4
399S31.9Very low45.8Very low99 Ų99131.2 Ų131.269%0.69267%0.669SS**  trans-74.2136.3-177.555.40000112.3Q397 E401Q397-S399 PolarHBondContact O-N 3.16Å; S399-E401 PolarHBondContact O-N 3.38Å
400R29.1Very low48.8Very low170 Ų170128.2 Ų128.264%0.64265%0.648SS**  trans-70107.3171.6-77.3169.4157.9-171.4-11.7109.2D222D222-R400 IonicContact OD1-NH1 2.83Å; D222-R400 IonicContact OD2-CZ 3.16Å; D222-R400 IonicContact OD2-NH1 2.64Å; D222-R400 PolarHBondContact OD2-NH1 2.96Å; D222-R400 IonicContact OD2-NH2 2.66Å
401E31.4Very low51.6Low123 Ų123125.9 Ų125.958%0.57564%0.635SS**  trans-59.9135.2169.6-74-134.4131.100111S399 R404S399-E401 PolarHBondContact O-N 3.38Å; E401-R404 IonicContact OE1-CZ 2.82Å; E401-R404 IonicContact OE1-NE 2.64Å; E401-R404 PolarHBondContact OE1-NE 3.22Å; E401-R404 IonicContact OE1-NH2 3.28Å; E401-R404 PolarHBondContact OE1-NH2 2.97Å; E401-R404 IonicContact OE2-CZ 3.66Å; E401-R404 IonicContact OE2-NE 3.35Å; E401-R404 PolarHBondContact OE2-NE 3.36Å; E401-R404 IonicContact OE2-NH2 3.86Å; E401-R404 PolarHBondContact OE2-NH2 2.68Å
402P38.8Very low54.7Low102 Ų102121.2 Ų121.266%0.66261%0.613SS**  trans-68139.9165.830.3-33.1000109.4R404P402-R404 PolarHBondContact O-N 2.76Å
403I48.6Very low57.7Low124 Ų124111.1 Ų111.164%0.63657%0.569SS**  trans-53.9112.1179.4-62.2172.3000109.5R405I403-R405 HydrophobicContact CG2-CG 4.25Å; I403-R405 PolarHBondContact O-N 3.28Å
404R59.2Low61Low157 Ų157106 Ų10659%0.59255%0.549SS*.  trans-74.556.8-176.4-59.7-174.4-176.6-145.94.5112E401 P402 R406 H615 C616E401-R404 IonicContact OE1-CZ 2.82Å; E401-R404 IonicContact OE1-NE 2.64Å; E401-R404 PolarHBondContact OE1-NE 3.22Å; E401-R404 IonicContact OE1-NH2 3.28Å; E401-R404 PolarHBondContact OE1-NH2 2.97Å; E401-R404 IonicContact OE2-CZ 3.66Å; E401-R404 IonicContact OE2-NE 3.35Å; E401-R404 PolarHBondContact OE2-NE 3.36Å; E401-R404 IonicContact OE2-NH2 3.86Å; E401-R404 PolarHBondContact OE2-NH2 2.68Å; P402-R404 PolarHBondContact O-N 2.76Å; R404-R406 PolarHBondContact O-N 2.62Å; R404-H615 CarbonylContact C-O 3.51Å; R404-H615 VanDerWaalsContact O-O 3.06Å; R404-C616 WeakPolarHBondContact O-CA 3.39Å
405R73.4Confident64.1Low148 Ų148106 Ų10656%0.55854%0.539SS*.PPolyproline II helixtrans-48.3127.9169.6-74.7-171177.1174.9-0108.5I403 I407I403-R405 HydrophobicContact CG2-CG 4.25Å; I403-R405 PolarHBondContact O-N 3.28Å; R405-I407 PolarHBondContact O-N 2.82Å
406R87.1Confident67.3Low82 Ų82101.1 Ų101.131%0.30951%0.511SS..PPolyproline II helixtrans-64.2122.7177-178.7169.8-168.6-171.35.8108.4R404 W408 E412 L518 C616R404-R406 PolarHBondContact O-N 2.62Å; R406-W408 HydrophobicContact CG-CD2 4.37Å; R406-W408 HydrophobicContact CG-CZ2 4.38Å; R406-W408 VanDerWaalsContact NH1-CH2 3.34Å; R406-E412 IonicContact CZ-OE1 3.95Å; R406-E412 VanDerWaalsContact CZ-OE1 3.26Å; R406-E412 IonicContact CZ-OE2 3.83Å; R406-E412 IonicContact NH1-OE1 3.27Å; R406-E412 PolarHBondContact NH1-OE1 3.33Å; R406-E412 IonicContact NH2-OE1 3.69Å; R406-E412 PolarHBondContact NH2-OE1 2.91Å; R406-E412 IonicContact NH2-OE2 3.27Å; R406-E412 PolarHBondContact NH2-OE2 3.17Å; R406-L518 PolarHBondContact NH1-O 2.93Å; R406-C616 WeakPolarHBondContact CB-O 3.16Å; R406-C616 PolarHBondContact N-O 3.05Å
407I86.2Confident70.5Confident121 Ų12196.4 Ų96.462%0.62147%0.472SS*.PPolyproline II helixtrans-84.5135.9165.4-58.8174.1000107R405 Y409R405-I407 PolarHBondContact O-N 2.82Å; I407-Y409 HydrophobicContact CG2-CE1 4.42Å
408W90.2Very high73.6Confident20 Ų2089.5 Ų89.58%0.07644%0.441CS..PPolyproline II helixtrans-101.5140171.3-53.399.2000109.1R406 L413 K470 D471 P472 L518 F520 R618R406-W408 HydrophobicContact CG-CD2 4.37Å; R406-W408 HydrophobicContact CG-CZ2 4.38Å; R406-W408 VanDerWaalsContact NH1-CH2 3.34Å; W408-L413 HydrophobicContact CB-CD1 4.43Å; W408-L413 HydrophobicContact CB-CD2 4.05Å; W408-L413 HydrophobicContact CB-CG 4.31Å; W408-L413 HydrophobicContact CE3-CD2 4.5Å; W408-L413 HydrophobicContact CG-CD2 4.42Å; W408-K470 VanDerWaalsContact CD1-O 3.3Å; W408-D471 PolarHBondContact NE1-OD2 3.14Å; W408-P472 HydrophobicContact CD2-CG 3.72Å; W408-P472 HydrophobicContact CE3-CG 3.85Å; W408-P472 HydrophobicContact CG-CG 4.3Å; W408-P472 HydrophobicContact CH2-CG 3.92Å; W408-P472 HydrophobicContact CZ2-CG 3.84Å; W408-P472 HydrophobicContact CZ3-CG 3.91Å; W408-P472 VanDerWaalsContact NE1-CD 3.31Å; W408-L518 HydrophobicContact CH2-CB 3.94Å; W408-L518 WeakPolarHBondContact CH2-O 3.41Å; W408-L518 HydrophobicContact CZ3-CB 4.05Å; W408-L518 HydrophobicContact CZ3-CD2 3.89Å; W408-L518 HydrophobicContact CZ3-CG 4.44Å; W408-F520 HydrophobicContact CH2-CD2 4.5Å; W408-F520 AromaticContact CH2-CE2 3.59Å; W408-F520 HydrophobicContact CH2-CE2 3.59Å; W408-F520 AromaticContact CH2-CZ 3.88Å; W408-F520 HydrophobicContact CH2-CZ 3.88Å; W408-F520 HydrophobicContact CZ2-CE1 4.26Å; W408-F520 AromaticContact CZ2-CE2 3.55Å; W408-F520 HydrophobicContact CZ2-CE2 3.55Å; W408-F520 AromaticContact CZ2-CZ 3.31Å; W408-F520 HydrophobicContact CZ2-CZ 3.31Å; W408-R618 HydrophobicContact CZ2-CG 4.3Å
409Y90.7Very high76.9Confident163 Ų16388 Ų8864%0.63942%0.422SS*.PPolyproline II helixtrans-100.1136.8173.7-59.2-74.2000108.8I407 N411 E412 L413I407-Y409 HydrophobicContact CG2-CE1 4.42Å; Y409-N411 PolarHBondContact O-N 3.42Å; Y409-E412 WeakPolarHBondContact O-CA 3.36Å; Y409-E412 WeakPolarHBondContact O-CB 3.44Å; Y409-E412 PolarHBondContact O-N 3.23Å; Y409-L413 PolarHBondContact O-N 3.38Å; Y409-L413 VanDerWaalsContact O-N 3.14Å
410S90.7Very high80Confident38 Ų3883.4 Ų83.427%0.26639%0.39SS..Hα-helixtrans-56.9-27.7-176.6-38.20000113L413 L414S410-L413 PolarHBondContact O-N 2.81Å; S410-L414 VanDerWaalsContact O-CB 3.29Å; S410-L414 WeakPolarHBondContact O-CB 3.39Å; S410-L414 PolarHBondContact O-N 3.47Å
411N90.6Very high83.2Confident95 Ų9575.3 Ų75.351%0.50836%0.359SS..Hα-helixtrans-67.6-36.6172.8-65.70.5000113Y409 Q415Y409-N411 PolarHBondContact O-N 3.42Å; N411-Q415 VanDerWaalsContact O-CB 3.26Å; N411-Q415 WeakPolarHBondContact O-CB 3.38Å; N411-Q415 PolarHBondContact O-N 3.46Å
412E94.3Very high86.3Confident35 Ų3572.8 Ų72.816%0.16435%0.349CS..Hα-helixtrans-67.4-43.2173.4-175.1-176.2172.400109.9R406 Y409 Q415 H416R406-E412 IonicContact CZ-OE1 3.95Å; R406-E412 VanDerWaalsContact CZ-OE1 3.26Å; R406-E412 IonicContact CZ-OE2 3.83Å; R406-E412 IonicContact NH1-OE1 3.27Å; R406-E412 PolarHBondContact NH1-OE1 3.33Å; R406-E412 IonicContact NH2-OE1 3.69Å; R406-E412 PolarHBondContact NH2-OE1 2.91Å; R406-E412 IonicContact NH2-OE2 3.27Å; R406-E412 PolarHBondContact NH2-OE2 3.17Å; Y409-E412 WeakPolarHBondContact O-CA 3.36Å; Y409-E412 WeakPolarHBondContact O-CB 3.44Å; Y409-E412 PolarHBondContact O-N 3.23Å; E412-Q415 PolarHBondContact O-N 2.99Å; E412-H416 PolarHBondContact O-CD2 2.89Å; E412-H416 PolarHBondContact O-N 3.33Å
413L95.3Very high89.1Confident3 Ų373.1 Ų73.12%0.01634%0.34CS..Hα-helixtrans-59.7-50.5175.5-58.9-176.5000111W408 Y409 S410 Q415 H416 F417 L464 Y469 P472 I475W408-L413 HydrophobicContact CB-CD1 4.43Å; W408-L413 HydrophobicContact CB-CD2 4.05Å; W408-L413 HydrophobicContact CB-CG 4.31Å; W408-L413 HydrophobicContact CE3-CD2 4.5Å; W408-L413 HydrophobicContact CG-CD2 4.42Å; Y409-L413 PolarHBondContact O-N 3.38Å; Y409-L413 VanDerWaalsContact O-N 3.14Å; S410-L413 PolarHBondContact O-N 2.81Å; L413-Q415 PolarHBondContact O-N 2.88Å; L413-H416 PolarHBondContact O-N 3.43Å; L413-F417 WeakPolarHBondContact O-CB 3.44Å; L413-F417 WeakPolarHBondContact O-CD2 3.49Å; L413-F417 PolarHBondContact O-N 3.32Å; L413-L464 HydrophobicContact CB-CD1 4.13Å; L413-Y469 WeakPolarHBondContact CD1-O 3.47Å; L413-P472 HydrophobicContact CD2-CB 4.5Å; L413-P472 HydrophobicContact CD2-CG 3.58Å; L413-I475 HydrophobicContact CB-CD1 4.12Å; L413-I475 HydrophobicContact CD1-CD1 4.44Å; L413-I475 HydrophobicContact CD2-CD1 4.32Å
414L95.3Very high91.3Very high49 Ų4967.3 Ų67.326%0.25731%0.31SS..Hα-helixtrans-57-47.4176.5-172.771.1000111.6S410 H416 L418 L464 E465S410-L414 VanDerWaalsContact O-CB 3.29Å; S410-L414 WeakPolarHBondContact O-CB 3.39Å; S410-L414 PolarHBondContact O-N 3.47Å; L414-H416 VanDerWaalsContact C-N 3.34Å; L414-H416 PolarHBondContact O-N 2.82Å; L414-L418 HydrophobicContact CD1-CB 4.13Å; L414-L418 HydrophobicContact CD1-CD2 4.07Å; L414-L418 HydrophobicContact CG-CD2 4.44Å; L414-L418 WeakPolarHBondContact O-CB 3.37Å; L414-L418 PolarHBondContact O-N 2.97Å; L414-L464 HydrophobicContact CD1-CD2 4.23Å; L414-L464 HydrophobicContact CD1-CG 3.93Å; L414-E465 HydrophobicContact CD1-CG 3.99Å
415Q95.5Very high93.1Very high146 Ų14661.8 Ų61.868%0.68230%0.296SS*.Hα-helixtrans-60.4-40.2-180-177.5177.77.200112.8N411 E412 L413 P419N411-Q415 VanDerWaalsContact O-CB 3.26Å; N411-Q415 WeakPolarHBondContact O-CB 3.38Å; N411-Q415 PolarHBondContact O-N 3.46Å; E412-Q415 PolarHBondContact O-N 2.99Å; L413-Q415 PolarHBondContact O-N 2.88Å; Q415-P419 VanDerWaalsContact O-CD 3.3Å; Q415-P419 WeakPolarHBondContact O-CD 3.18Å; Q415-P419 WeakPolarHBondContact O-CG 3.19Å
416H95.6Very high94.2Very high59 Ų5962.9 Ų62.927%0.27331%0.305SS..Hα-helixtrans-85.1-34.2-178.2-81.7-94.8000113.8E412 L413 L414 V514 L518E412-H416 PolarHBondContact O-CD2 2.89Å; E412-H416 PolarHBondContact O-N 3.33Å; L413-H416 PolarHBondContact O-N 3.43Å; L414-H416 VanDerWaalsContact C-N 3.34Å; L414-H416 PolarHBondContact O-N 2.82Å; H416-V514 HydrophobicContact CB-CG1 4.13Å; H416-L518 HydrophobicContact CB-CD1 4.44Å; H416-L518 HydrophobicContact CB-CD2 4.31Å
417F97.5Very high94.6Very high0 Ų062.2 Ų62.20%031%0.305CS..Hα-helixtrans-101.1-27.4-172.1-75.2-97.6000114.9L413 P419 V420 V421 L464 P472 I475 V476 I511 V514 M515 L518L413-F417 WeakPolarHBondContact O-CB 3.44Å; L413-F417 WeakPolarHBondContact O-CD2 3.49Å; L413-F417 PolarHBondContact O-N 3.32Å; F417-P419 VanDerWaalsContact C-N 3.33Å; F417-V420 WeakPolarHBondContact O-CA 3.36Å; F417-V420 VanDerWaalsContact O-CB 3.3Å; F417-V420 WeakPolarHBondContact O-CB 3.38Å; F417-V420 PolarHBondContact O-N 3.04Å; F417-V421 PolarHBondContact O-N 2.66Å; F417-L464 HydrophobicContact CB-CD1 4.21Å; F417-L464 HydrophobicContact CB-CD2 3.67Å; F417-P472 HydrophobicContact CE2-CB 3.87Å; F417-P472 HydrophobicContact CE2-CG 4.39Å; F417-P472 HydrophobicContact CZ-CB 3.78Å; F417-I475 HydrophobicContact CB-CD1 4.19Å; F417-I475 HydrophobicContact CB-CG2 4.32Å; F417-I475 HydrophobicContact CD1-CB 3.91Å; F417-I475 HydrophobicContact CD1-CD1 3.96Å; F417-I475 HydrophobicContact CD1-CG2 3.45Å; F417-I475 VanDerWaalsContact CD1-CG2 3.45Å; F417-I475 HydrophobicContact CD2-CD1 3.59Å; F417-I475 HydrophobicContact CE1-CB 3.86Å; F417-I475 HydrophobicContact CE1-CD1 4.15Å; F417-I475 HydrophobicContact CE1-CG2 3.89Å; F417-I475 HydrophobicContact CE2-CD1 3.83Å; F417-I475 HydrophobicContact CG-CB 4.47Å; F417-I475 HydrophobicContact CG-CD1 3.65Å; F417-I475 HydrophobicContact CG-CG2 4.04Å; F417-I475 HydrophobicContact CZ-CB 4.41Å; F417-I475 HydrophobicContact CZ-CD1 4.1Å; F417-V476 HydrophobicContact CE1-CG2 3.89Å; F417-V476 HydrophobicContact CZ-CG2 4.29Å; F417-I511 HydrophobicContact CD1-CD1 4.26Å; F417-I511 HydrophobicContact CE1-CD1 3.59Å; F417-I511 HydrophobicContact CZ-CD1 4.27Å; F417-V514 HydrophobicContact CE2-CG1 4.5Å; F417-M515 HydrophobicContact CZ-SD 3.87Å; F417-L518 HydrophobicContact CE2-CD1 3.66Å; F417-L518 HydrophobicContact CZ-CD1 4.18Å
418L96.6Very high94.9Very high36 Ų3664.4 Ų64.419%0.18831%0.31CS..Hα-helixtrans-60.1-38.4175.9-173.763.8000112.3L414 V420 V421 L422 R461 L464L414-L418 HydrophobicContact CD1-CB 4.13Å; L414-L418 HydrophobicContact CD1-CD2 4.07Å; L414-L418 HydrophobicContact CG-CD2 4.44Å; L414-L418 WeakPolarHBondContact O-CB 3.37Å; L414-L418 PolarHBondContact O-N 2.97Å; L418-V420 VanDerWaalsContact C-N 3.26Å; L418-V420 PolarHBondContact O-N 2.7Å; L418-V421 PolarHBondContact O-N 3.48Å; L418-L422 HydrophobicContact CD1-CD1 4.23Å; L418-L422 HydrophobicContact CD1-CG 4.1Å; L418-L422 HydrophobicContact CD2-CD1 4.43Å; L418-L422 HydrophobicContact CG-CD1 3.86Å; L418-L422 HydrophobicContact CG-CG 4.19Å; L418-L422 WeakPolarHBondContact O-CB 3.41Å; L418-L422 VanDerWaalsContact O-CG 3.26Å; L418-L422 WeakPolarHBondContact O-CG 3.43Å; L418-L422 PolarHBondContact O-N 3.49Å; L418-R461 HydrophobicContact CD1-CG 4.23Å; L418-L464 HydrophobicContact CB-CD2 4.16Å
419P97Very high95.1Very high77 Ų7764.4 Ų64.450%0.531%0.312SS..Hα-helixtrans-62.3-29.3170.8-23.935.6000114.1Q415 F417 K423Q415-P419 VanDerWaalsContact O-CD 3.3Å; Q415-P419 WeakPolarHBondContact O-CD 3.18Å; Q415-P419 WeakPolarHBondContact O-CG 3.19Å; F417-P419 VanDerWaalsContact C-N 3.33Å; P419-K423 VanDerWaalsContact O-CB 3.22Å; P419-K423 WeakPolarHBondContact O-CB 3.3Å; P419-K423 PolarHBondContact O-N 3.49Å; P419-K423 VanDerWaalsContact O-N 3.09Å
420V96.5Very high95.3Very high3 Ų356.7 Ų56.72%0.01828%0.281CS..Hα-helixtrans-71-51.7176.5-1800000109.8F417 L418 K423 I424 F479 F507 I510 V514F417-V420 WeakPolarHBondContact O-CA 3.36Å; F417-V420 VanDerWaalsContact O-CB 3.3Å; F417-V420 WeakPolarHBondContact O-CB 3.38Å; F417-V420 PolarHBondContact O-N 3.04Å; L418-V420 VanDerWaalsContact C-N 3.26Å; L418-V420 PolarHBondContact O-N 2.7Å; V420-K423 PolarHBondContact O-N 3.42Å; V420-I424 HydrophobicContact CG1-CD1 3.62Å; V420-I424 VanDerWaalsContact O-CG1 3.3Å; V420-I424 WeakPolarHBondContact O-CG1 3.5Å; V420-I424 PolarHBondContact O-N 2.89Å; V420-F479 HydrophobicContact CG1-CE2 4.34Å; V420-F479 HydrophobicContact CG1-CZ 4.15Å; V420-F507 HydrophobicContact CG1-CD2 4.49Å; V420-F507 HydrophobicContact CG1-CE2 4.45Å; V420-I510 HydrophobicContact CB-CG2 4.26Å; V420-I510 HydrophobicContact CG1-CG2 3.85Å; V420-I510 HydrophobicContact CG2-CG2 3.96Å; V420-V514 HydrophobicContact CG2-CG2 3.88Å
421V97.2Very high95.5Very high0 Ų060.5 Ų60.50%030%0.295CS..Hα-helixtrans-54.6-55.5174.61780000110.4F417 L418 K423 I424 S425 I460 R461 F479F417-V421 PolarHBondContact O-N 2.66Å; L418-V421 PolarHBondContact O-N 3.48Å; V421-K423 PolarHBondContact O-N 2.93Å; V421-I424 PolarHBondContact O-N 3.02Å; V421-I424 VanDerWaalsContact O-N 3.15Å; V421-S425 PolarHBondContact O-N 3.32Å; V421-S425 PolarHBondContact O-OG 2.93Å; V421-S425 VanDerWaalsContact O-OG 3.09Å; V421-I460 HydrophobicContact CG2-CG2 4.03Å; V421-R461 HydrophobicContact CG1-CB 3.95Å; V421-R461 HydrophobicContact CG1-CG 4.32Å; V421-F479 HydrophobicContact CB-CZ 4.45Å; V421-F479 HydrophobicContact CG2-CE2 4.06Å; V421-F479 HydrophobicContact CG2-CZ 3.69Å
422L96.7Very high95.7Very high71 Ų7158 Ų5837%0.37229%0.285SS..Hα-helixtrans-64.1-23.2-177.8-69.9176000114.3L418 K426L418-L422 HydrophobicContact CD1-CD1 4.23Å; L418-L422 HydrophobicContact CD1-CG 4.1Å; L418-L422 HydrophobicContact CD2-CD1 4.43Å; L418-L422 HydrophobicContact CG-CD1 3.86Å; L418-L422 HydrophobicContact CG-CG 4.19Å; L418-L422 WeakPolarHBondContact O-CB 3.41Å; L418-L422 VanDerWaalsContact O-CG 3.26Å; L418-L422 WeakPolarHBondContact O-CG 3.43Å; L418-L422 PolarHBondContact O-N 3.49Å; L422-K426 VanDerWaalsContact O-CD 3.3Å; L422-K426 WeakPolarHBondContact O-CD 3.35Å; L422-K426 WeakPolarHBondContact O-CE 3.47Å; L422-K426 VanDerWaalsContact O-CG 3.31Å; L422-K426 WeakPolarHBondContact O-CG 3.32Å
423K96Very high95.9Very high108 Ų10856.9 Ų56.947%0.4728%0.279SS..Hα-helixtrans-79.3-46.4172.8-176.6174.4174.7-170.70110.8P419 V420 V421 K426 I510P419-K423 VanDerWaalsContact O-CB 3.22Å; P419-K423 WeakPolarHBondContact O-CB 3.3Å; P419-K423 PolarHBondContact O-N 3.49Å; P419-K423 VanDerWaalsContact O-N 3.09Å; V420-K423 PolarHBondContact O-N 3.42Å; V421-K423 PolarHBondContact O-N 2.93Å; K423-K426 PolarHBondContact O-N 3.43Å; K423-K426 VanDerWaalsContact O-N 3.11Å; K423-I510 HydrophobicContact CD-CD1 3.7Å; K423-I510 HydrophobicContact CD-CG1 4.13Å; K423-I510 HydrophobicContact CG-CD1 4.05Å
424I96.4Very high96Very high2 Ų260.2 Ų60.21%0.0130%0.296CS..Hα-helixtrans-65.7-41.3-178.8-66.5166.6000110.7V420 V421 K426 E427 A430 L457 F479 L503 F507 I510V420-I424 HydrophobicContact CG1-CD1 3.62Å; V420-I424 VanDerWaalsContact O-CG1 3.3Å; V420-I424 WeakPolarHBondContact O-CG1 3.5Å; V420-I424 PolarHBondContact O-N 2.89Å; V421-I424 PolarHBondContact O-N 3.02Å; V421-I424 VanDerWaalsContact O-N 3.15Å; I424-K426 PolarHBondContact O-N 2.64Å; I424-E427 WeakPolarHBondContact O-CB 3.36Å; I424-E427 PolarHBondContact O-N 2.72Å; I424-A430 WeakPolarHBondContact O-CB 3.47Å; I424-L457 HydrophobicContact CG2-CD1 4.11Å; I424-L457 HydrophobicContact CG2-CD2 3.94Å; I424-F479 HydrophobicContact CD1-CD1 4.34Å; I424-F479 HydrophobicContact CD1-CE1 3.59Å; I424-F479 HydrophobicContact CD1-CZ 3.98Å; I424-F479 HydrophobicContact CG2-CE1 4.5Å; I424-L503 HydrophobicContact CG2-CD1 3.82Å; I424-L503 HydrophobicContact CG2-CD2 4.46Å; I424-L503 HydrophobicContact CG2-CG 4.17Å; I424-F507 HydrophobicContact CD1-CB 4.19Å; I424-F507 HydrophobicContact CD1-CD2 3.6Å; I424-F507 HydrophobicContact CD1-CE2 4.45Å; I424-F507 HydrophobicContact CD1-CG 4.31Å; I424-I510 HydrophobicContact CG1-CD1 3.97Å
425S96.5Very high96.1Very high41 Ų4162.1 Ų62.129%0.28731%0.31SS..THydrogen-bonded Turntrans-62.5-10.6173.7-57.20000114.8V421V421-S425 PolarHBondContact O-N 3.32Å; V421-S425 PolarHBondContact O-OG 2.93Å; V421-S425 VanDerWaalsContact O-OG 3.09Å
426K95.7Very high96.2Very high172 Ų17258.7 Ų58.775%0.74830%0.301SS*.THydrogen-bonded Turntrans-98.5-7.5174.8-69.7173.8-174.2178.90113.3L422 K423 I424L422-K426 VanDerWaalsContact O-CD 3.3Å; L422-K426 WeakPolarHBondContact O-CD 3.35Å; L422-K426 WeakPolarHBondContact O-CE 3.47Å; L422-K426 VanDerWaalsContact O-CG 3.31Å; L422-K426 WeakPolarHBondContact O-CG 3.32Å; K423-K426 PolarHBondContact O-N 3.43Å; K423-K426 VanDerWaalsContact O-N 3.11Å; I424-K426 PolarHBondContact O-N 2.64Å
427E95.2Very high96.2Very high68 Ų6857.9 Ų57.932%0.31830%0.3SS..SBendtrans-72.2134.7175.4-67.7-62.5163.300110.4I424 D429 A430 L503 T506I424-E427 WeakPolarHBondContact O-CB 3.36Å; I424-E427 PolarHBondContact O-N 2.72Å; E427-D429 PolarHBondContact O-N 3.25Å; E427-A430 HydrophobicContact CB-CB 4.48Å; E427-A430 WeakPolarHBondContact O-CB 3.41Å; E427-A430 PolarHBondContact O-N 2.81Å; E427-L503 HydrophobicContact CB-CD1 4.09Å; E427-T506 HydrophobicContact CG-CG2 3.99Å
428K92.9Very high96.1Very high167 Ų16762 Ų6273%0.72632%0.322SS*.THydrogen-bonded Turntrans-53.5-25.817971.7-165.4177.1-170.40114.2
429D93.8Very high96Very high19 Ų1964.3 Ų64.310%0.10233%0.328CS..THydrogen-bonded Turntrans-89.8-3.8-177.3-70.8-50.3000112.4E427 F433 T499 R502E427-D429 PolarHBondContact O-N 3.25Å; D429-F433 WeakPolarHBondContact O-CE2 3.42Å; D429-T499 HydrophobicContact CB-CG2 4.38Å; D429-R502 VanDerWaalsContact CG-NE 3.32Å; D429-R502 IonicContact OD1-CZ 3.98Å; D429-R502 IonicContact OD1-NE 3.14Å; D429-R502 PolarHBondContact OD1-NE 2.84Å; D429-R502 IonicContact OD1-NH2 3.27Å; D429-R502 PolarHBondContact OD1-NH2 3.43Å; D429-R502 IonicContact OD2-CZ 3.21Å; D429-R502 IonicContact OD2-NE 2.97Å; D429-R502 PolarHBondContact OD2-NE 2.87Å; D429-R502 IonicContact OD2-NH2 2.66Å
430A96.1Very high95.8Very high1 Ų165.2 Ų65.21%0.00832%0.324CS..  trans-82.1-11177.800000114.3I424 E427 F433 L434 L457 L503I424-A430 WeakPolarHBondContact O-CB 3.47Å; E427-A430 HydrophobicContact CB-CB 4.48Å; E427-A430 WeakPolarHBondContact O-CB 3.41Å; E427-A430 PolarHBondContact O-N 2.81Å; A430-F433 WeakPolarHBondContact O-CA 3.29Å; A430-F433 WeakPolarHBondContact O-CB 3.44Å; A430-F433 PolarHBondContact O-N 3.18Å; A430-L434 HydrophobicContact CB-CD2 4.16Å; A430-L434 WeakPolarHBondContact O-CG 3.45Å; A430-L434 PolarHBondContact O-N 2.97Å; A430-L457 HydrophobicContact CB-CD1 4.08Å; A430-L503 HydrophobicContact CB-CD1 3.87Å; A430-L503 HydrophobicContact CB-CD2 4.36Å
431E95.2Very high95.7Very high118 Ų11873 Ų7355%0.55136%0.358SS*.G310 helixtrans-41.6-50.6-178.6161-165.9-112.800113.8F433 K495E431-F433 PolarHBondContact O-N 2.72Å; E431-F433 VanDerWaalsContact O-N 3.15Å; E431-K495 IonicContact OE2-NZ 2.78Å; E431-K495 PolarHBondContact OE2-NZ 2.9Å
432P95.3Very high95.5Very high44 Ų4477.8 Ų77.829%0.28638%0.383SS..G310 helixtrans-72.2-1.4180-18.733.3000116.1V496P432-V496 HydrophobicContact CB-CG1 4.29Å; P432-V496 HydrophobicContact CB-CG2 4.49Å; P432-V496 HydrophobicContact CG-CG2 4.44Å
433F97.7Very high95.4Very high11 Ų1181.6 Ų81.65%0.04840%0.399CS..G310 helixtrans-124.31.3-168.6-49.1-92.7000112.9D429 A430 E431 T435 L457 M482 A486 V496 C500 L503D429-F433 WeakPolarHBondContact O-CE2 3.42Å; A430-F433 WeakPolarHBondContact O-CA 3.29Å; A430-F433 WeakPolarHBondContact O-CB 3.44Å; A430-F433 PolarHBondContact O-N 3.18Å; E431-F433 PolarHBondContact O-N 2.72Å; E431-F433 VanDerWaalsContact O-N 3.15Å; F433-T435 VanDerWaalsContact C-N 3.29Å; F433-T435 PolarHBondContact O-N 2.87Å; F433-L457 HydrophobicContact CB-CD1 4.18Å; F433-L457 HydrophobicContact CB-CG 4.39Å; F433-L457 VanDerWaalsContact O-CB 3.31Å; F433-L457 WeakPolarHBondContact O-CB 3.4Å; F433-L457 WeakPolarHBondContact O-CG 3.4Å; F433-L457 PolarHBondContact O-N 2.89Å; F433-M482 HydrophobicContact CB-SD 3.93Å; F433-M482 HydrophobicContact CD1-CG 4Å; F433-M482 HydrophobicContact CD1-SD 4.3Å; F433-A486 HydrophobicContact CE1-CB 3.62Å; F433-A486 HydrophobicContact CZ-CB 4.3Å; F433-V496 HydrophobicContact CZ-CG1 4.3Å; F433-C500 HydrophobicContact CE1-CB 4.27Å; F433-C500 HydrophobicContact CZ-CB 3.72Å; F433-L503 HydrophobicContact CB-CD2 4.34Å; F433-L503 HydrophobicContact CD1-CD2 4.45Å; F433-L503 HydrophobicContact CD2-CD2 3.57Å; F433-L503 HydrophobicContact CE2-CD2 3.9Å; F433-L503 HydrophobicContact CG-CD2 3.88Å; F433-L503 HydrophobicContact CZ-CD2 4.47Å
434L97.4Very high95.2Very high72 Ų7278.4 Ų78.438%0.37739%0.386SS..SBendtrans-70.5-23.7-175.3-64.2179.2000113.7A430 L457 S458A430-L434 HydrophobicContact CB-CD2 4.16Å; A430-L434 WeakPolarHBondContact O-CG 3.45Å; A430-L434 PolarHBondContact O-N 2.97Å; L434-L457 HydrophobicContact CD2-CD1 4.17Å; L434-S458 WeakPolarHBondContact O-CB 3.48Å; L434-S458 PolarHBondContact O-N 3.45Å
435T96.8Very high95.1Very high89 Ų8984.8 Ų84.855%0.54641%0.411SS..SBendtrans-144.7164.3-173.254.50000110.1F433 D456F433-T435 VanDerWaalsContact C-N 3.29Å; F433-T435 PolarHBondContact O-N 2.87Å; T435-D456 VanDerWaalsContact C-OD1 3.29Å; T435-D456 WeakPolarHBondContact CA-OD1 3.21Å; T435-D456 WeakPolarHBondContact O-CB 3.25Å
436P97.6Very high95Very high75 Ų7585.9 Ų85.949%0.48741%0.414SS..  trans-55.7146.2174-22.632000111.7D438 D456P436-D438 PolarHBondContact O-N 3.31Å; P436-D438 VanDerWaalsContact O-N 3.09Å; P436-D456 WeakPolarHBondContact CG-OD2 3.22Å; P436-D456 VanDerWaalsContact N-CG 3.29Å
437V96.7Very high95.1Very high42 Ų4278.4 Ų78.426%0.25538%0.381SS..  trans-72.5102.5179.3179.80000109.6W439 L442 I444 Y447V437-W439 VanDerWaalsContact C-N 3.28Å; V437-W439 PolarHBondContact O-N 2.96Å; V437-L442 HydrophobicContact CG1-CD1 4.16Å; V437-I444 HydrophobicContact CG1-CD1 3.89Å; V437-Y447 HydrophobicContact CB-CD1 4.49Å; V437-Y447 HydrophobicContact CB-CE1 3.96Å; V437-Y447 HydrophobicContact CG1-CD1 4.26Å; V437-Y447 HydrophobicContact CG1-CD2 4.28Å; V437-Y447 HydrophobicContact CG1-CE1 4.14Å; V437-Y447 HydrophobicContact CG1-CE2 4.15Å; V437-Y447 HydrophobicContact CG1-CG 4.34Å; V437-Y447 HydrophobicContact CG2-CE1 4.36Å; V437-Y447 HydrophobicContact CG2-CE2 4.42Å
438D95.2Very high95Very high86 Ų8677.9 Ų77.946%0.4638%0.384SS..  trans-72.887.2168.3-171-17.6000110P436 K440 F441 L442P436-D438 PolarHBondContact O-N 3.31Å; P436-D438 VanDerWaalsContact O-N 3.09Å; D438-K440 PolarHBondContact O-N 3.38Å; D438-K440 WeakPolarHBondContact OD1-CA 3.48Å; D438-K440 WeakPolarHBondContact OD1-CB 3.19Å; D438-K440 PolarHBondContact OD1-N 3.12Å; D438-F441 HydrophobicContact CB-CB 4.05Å; D438-F441 VanDerWaalsContact CG-CB 3.46Å; D438-F441 PolarHBondContact O-N 3.44Å; D438-F441 PolarHBondContact OD1-N 2.63Å; D438-F441 WeakPolarHBondContact OD2-CB 3.36Å; D438-L442 WeakPolarHBondContact O-CB 3.15Å; D438-L442 WeakPolarHBondContact O-CG 3.47Å; D438-L442 PolarHBondContact O-N 2.97Å
439W93.7Very high95Very high85 Ų8577.5 Ų77.532%0.32239%0.385SS..THydrogen-bonded Turntrans-68.6-13.3178.353.3-96000114V437 I444 Y445 Y447 P448V437-W439 VanDerWaalsContact C-N 3.28Å; V437-W439 PolarHBondContact O-N 2.96Å; W439-I444 HydrophobicContact CB-CD1 4.45Å; W439-I444 HydrophobicContact CB-CG1 3.81Å; W439-I444 CarbonylContact O-C 3.55Å; W439-I444 PolarHBondContact O-N 3.42Å; W439-Y445 HydrophobicContact CE3-CD1 4.01Å; W439-Y445 HydrophobicContact CZ3-CD1 4.02Å; W439-Y447 HydrophobicContact CB-CD1 4.41Å; W439-Y447 HydrophobicContact CB-CG 4.36Å; W439-P448 HydrophobicContact CD2-CG 4.1Å; W439-P448 HydrophobicContact CE3-CG 4.45Å; W439-P448 HydrophobicContact CH2-CG 4.5Å; W439-P448 HydrophobicContact CZ2-CG 4.18Å
440K94.2Very high95Very high95 Ų9580 Ų8041%0.41340%0.397SS..THydrogen-bonded Turntrans-82.8-45.6173.5-62.3176.1-178.9171.40110.6D438 E443 Y445 Y1411D438-K440 PolarHBondContact O-N 3.38Å; D438-K440 WeakPolarHBondContact OD1-CA 3.48Å; D438-K440 WeakPolarHBondContact OD1-CB 3.19Å; D438-K440 PolarHBondContact OD1-N 3.12Å; K440-E443 PolarHBondContact O-N 2.6Å; K440-Y445 HydrophobicContact CB-CE1 4.41Å; K440-Y1411 PolarHBondContact NZ-OH 2.78Å
441F94.1Very high95Very high168 Ų16880 Ų8074%0.73740%0.397SS*.THydrogen-bonded Turntrans-68.3-34.4177179.1-100.6000112.5D438 E443D438-F441 HydrophobicContact CB-CB 4.05Å; D438-F441 VanDerWaalsContact CG-CB 3.46Å; D438-F441 PolarHBondContact O-N 3.44Å; D438-F441 PolarHBondContact OD1-N 2.63Å; D438-F441 WeakPolarHBondContact OD2-CB 3.36Å; F441-E443 VanDerWaalsContact C-N 3.3Å
442L92.4Very high94.9Very high99 Ų9979 Ų7952%0.51840%0.403SS..THydrogen-bonded Turntrans-85.44.9176.9-65.5172.8000113.9V437 D438 I444V437-L442 HydrophobicContact CG1-CD1 4.16Å; D438-L442 WeakPolarHBondContact O-CB 3.15Å; D438-L442 WeakPolarHBondContact O-CG 3.47Å; D438-L442 PolarHBondContact O-N 2.97Å; L442-I444 HydrophobicContact CB-CD1 4Å; L442-I444 HydrophobicContact CB-CG1 3.84Å; L442-I444 HydrophobicContact CD1-CD1 4.23Å; L442-I444 PolarHBondContact O-N 2.95Å; L442-I444 VanDerWaalsContact O-N 3.13Å
443E94Very high95Very high152 Ų15280.9 Ų80.971%0.7141%0.411SS*.THydrogen-bonded Turntrans56.421.8-179.8-57.3-173.9167.100115.4K440 F441 Y445K440-E443 PolarHBondContact O-N 2.6Å; F441-E443 VanDerWaalsContact C-N 3.3Å; E443-Y445 HydrophobicContact CB-CE2 4.28Å; E443-Y445 PolarHBondContact O-N 2.88Å
444I93.1Very high94.9Very high40 Ų4083.8 Ų83.821%0.20543%0.431CS..  trans-101.659.2-177.552.5176.4000112V437 W439 L442 D446 Y447 Y489V437-I444 HydrophobicContact CG1-CD1 3.89Å; W439-I444 HydrophobicContact CB-CD1 4.45Å; W439-I444 HydrophobicContact CB-CG1 3.81Å; W439-I444 CarbonylContact O-C 3.55Å; W439-I444 PolarHBondContact O-N 3.42Å; L442-I444 HydrophobicContact CB-CD1 4Å; L442-I444 HydrophobicContact CB-CG1 3.84Å; L442-I444 HydrophobicContact CD1-CD1 4.23Å; L442-I444 PolarHBondContact O-N 2.95Å; L442-I444 VanDerWaalsContact O-N 3.13Å; I444-D446 PolarHBondContact O-N 3.06Å; I444-Y447 HydrophobicContact CD1-CD2 4.2Å; I444-Y447 HydrophobicContact CD1-CG 4.43Å; I444-Y447 VanDerWaalsContact O-CB 3.24Å; I444-Y447 WeakPolarHBondContact O-CB 3.11Å; I444-Y447 PolarHBondContact O-N 3.48Å; I444-Y489 HydrophobicContact CB-CE1 4.48Å; I444-Y489 WeakPolarHBondContact CB-OH 3.38Å; I444-Y489 HydrophobicContact CD1-CE1 4.25Å; I444-Y489 HydrophobicContact CG2-CE1 4.32Å; I444-Y489 WeakPolarHBondContact CG2-OH 3.43Å
445Y93.4Very high95Very high136 Ų13681.5 Ų81.553%0.53342%0.418SS..THydrogen-bonded Turntrans-61.8-9.6-174-54.4-71.9000115.9W439 K440 E443 Q449W439-Y445 HydrophobicContact CE3-CD1 4.01Å; W439-Y445 HydrophobicContact CZ3-CD1 4.02Å; K440-Y445 HydrophobicContact CB-CE1 4.41Å; E443-Y445 HydrophobicContact CB-CE2 4.28Å; E443-Y445 PolarHBondContact O-N 2.88Å; Y445-Q449 PolarHBondContact O-NE2 3.4Å
446D95.4Very high95Very high65 Ų6577.5 Ų77.535%0.34839%0.394SS..THydrogen-bonded Turntrans-88.1-12.7172.668.2-26.8000113.6I444 Q449 I450 Y489I444-D446 PolarHBondContact O-N 3.06Å; D446-Q449 WeakPolarHBondContact O-CA 3.43Å; D446-Q449 WeakPolarHBondContact O-CB 3.45Å; D446-Q449 PolarHBondContact O-N 2.68Å; D446-I450 HydrophobicContact CB-CD1 4.48Å; D446-I450 PolarHBondContact O-N 3.39Å; D446-Y489 WeakPolarHBondContact OD1-CE2 3.11Å; D446-Y489 PolarHBondContact OD1-OH 2.9Å
447Y96.3Very high95.1Very high14 Ų1474 Ų746%0.05537%0.371CS..Hα-helixtrans-50-53-179.1-173.7-91.4000113.9V437 W439 I444 Q449 I450 V451 P454 Y489V437-Y447 HydrophobicContact CB-CD1 4.49Å; V437-Y447 HydrophobicContact CB-CE1 3.96Å; V437-Y447 HydrophobicContact CG1-CD1 4.26Å; V437-Y447 HydrophobicContact CG1-CD2 4.28Å; V437-Y447 HydrophobicContact CG1-CE1 4.14Å; V437-Y447 HydrophobicContact CG1-CE2 4.15Å; V437-Y447 HydrophobicContact CG1-CG 4.34Å; V437-Y447 HydrophobicContact CG2-CE1 4.36Å; V437-Y447 HydrophobicContact CG2-CE2 4.42Å; W439-Y447 HydrophobicContact CB-CD1 4.41Å; W439-Y447 HydrophobicContact CB-CG 4.36Å; I444-Y447 HydrophobicContact CD1-CD2 4.2Å; I444-Y447 HydrophobicContact CD1-CG 4.43Å; I444-Y447 VanDerWaalsContact O-CB 3.24Å; I444-Y447 WeakPolarHBondContact O-CB 3.11Å; I444-Y447 PolarHBondContact O-N 3.48Å; Y447-Q449 PolarHBondContact O-N 3.26Å; Y447-Q449 VanDerWaalsContact O-N 3.13Å; Y447-I450 PolarHBondContact O-N 3.05Å; Y447-I450 VanDerWaalsContact O-N 3.1Å; Y447-V451 HydrophobicContact CD1-CB 4.41Å; Y447-V451 HydrophobicContact CD2-CG2 4.41Å; Y447-V451 HydrophobicContact CE1-CB 3.96Å; Y447-V451 HydrophobicContact CE1-CG1 4.04Å; Y447-V451 HydrophobicContact CE1-CG2 4.38Å; Y447-V451 HydrophobicContact CE2-CB 4.35Å; Y447-V451 HydrophobicContact CE2-CG2 3.87Å; Y447-V451 PolarHBondContact O-N 3.14Å; Y447-P454 HydrophobicContact CE1-CG 4.44Å; Y447-Y489 AromaticContact CD2-CD1 3.87Å; Y447-Y489 HydrophobicContact CD2-CD1 3.87Å; Y447-Y489 AromaticContact CD2-CD2 3.64Å; Y447-Y489 HydrophobicContact CD2-CD2 3.64Å; Y447-Y489 HydrophobicContact CD2-CE1 4.18Å; Y447-Y489 AromaticContact CD2-CE2 3.97Å; Y447-Y489 HydrophobicContact CD2-CE2 3.97Å; Y447-Y489 AromaticContact CD2-CG 3.62Å; Y447-Y489 HydrophobicContact CD2-CG 3.62Å; Y447-Y489 HydrophobicContact CE2-CD1 4.28Å; Y447-Y489 HydrophobicContact CE2-CD2 4.36Å; Y447-Y489 AromaticContact CE2-CG 3.98Å; Y447-Y489 HydrophobicContact CE2-CG 3.98Å; Y447-Y489 HydrophobicContact CG-CD2 4.41Å; Y447-Y489 HydrophobicContact CG-CE2 4.48Å
448P93.9Very high95.1Very high57 Ų5774 Ų7437%0.3737%0.372SS..Hα-helixtrans-71.6-1.2177.931.3-37.9000114.6W439W439-P448 HydrophobicContact CD2-CG 4.1Å; W439-P448 HydrophobicContact CE3-CG 4.45Å; W439-P448 HydrophobicContact CH2-CG 4.5Å; W439-P448 HydrophobicContact CZ2-CG 4.18Å
449Q93.2Very high95.3Very high160 Ų16070.7 Ų70.775%0.74836%0.355SS*.Hα-helixtrans-95.9-17.6172-54175.847.400111.9Y445 D446 Y447Y445-Q449 PolarHBondContact O-NE2 3.4Å; D446-Q449 WeakPolarHBondContact O-CA 3.43Å; D446-Q449 WeakPolarHBondContact O-CB 3.45Å; D446-Q449 PolarHBondContact O-N 2.68Å; Y447-Q449 PolarHBondContact O-N 3.26Å; Y447-Q449 VanDerWaalsContact O-N 3.13Å
450I93.6Very high95.5Very high72 Ų7266.6 Ų66.637%0.36934%0.34SS..Hα-helixtrans-107.5-36.3-178.8-64.8176.6000110.9D446 Y447 L488 Y489D446-I450 HydrophobicContact CB-CD1 4.48Å; D446-I450 PolarHBondContact O-N 3.39Å; Y447-I450 PolarHBondContact O-N 3.05Å; Y447-I450 VanDerWaalsContact O-N 3.1Å; I450-L488 HydrophobicContact CG2-CD2 4.47Å; I450-L488 HydrophobicContact CG2-CG 4.09Å; I450-L488 WeakPolarHBondContact O-CD2 3.12Å; I450-Y489 HydrophobicContact CB-CD2 4.05Å; I450-Y489 HydrophobicContact CD1-CD2 4.04Å; I450-Y489 HydrophobicContact CD1-CE2 3.97Å; I450-Y489 HydrophobicContact CG2-CD2 4.01Å
451V95.7Very high95.7Very high1 Ų167.1 Ų67.11%0.00634%0.339CS..  trans-108.1104.1174.5173.70000108.2Y447 P454 N485Y447-V451 HydrophobicContact CD1-CB 4.41Å; Y447-V451 HydrophobicContact CD2-CG2 4.41Å; Y447-V451 HydrophobicContact CE1-CB 3.96Å; Y447-V451 HydrophobicContact CE1-CG1 4.04Å; Y447-V451 HydrophobicContact CE1-CG2 4.38Å; Y447-V451 HydrophobicContact CE2-CB 4.35Å; Y447-V451 HydrophobicContact CE2-CG2 3.87Å; Y447-V451 PolarHBondContact O-N 3.14Å; V451-P454 HydrophobicContact CG1-CG 4.28Å; V451-N485 HydrophobicContact CG1-CB 3.93Å; V451-N485 VanDerWaalsContact CG1-CG 3.45Å; V451-N485 HydrophobicContact CG2-CB 4.03Å
452S93.8Very high95.9Very high96 Ų9664.5 Ų64.567%0.67133%0.325SS*.SBendtrans-69.3-38.9177.946.90000112.8P454S452-P454 WeakPolarHBondContact O-CD 3.42Å
453D96.2Very high96.1Very high83 Ų8361 Ų6144%0.44431%0.305SS..SBendtrans-125.180.6-168.9-55-85.3000110.5L481 N485D453-L481 HydrophobicContact CB-CD1 4.34Å; D453-L481 HydrophobicContact CB-CD2 4.11Å; D453-N485 PolarHBondContact O-ND2 2.7Å
454P97Very high96.2Very high72 Ų7253.9 Ų53.947%0.46827%0.272SS..  trans-61.2139.3-179.2-23.634.3000112.8Y447 V451 S452Y447-P454 HydrophobicContact CE1-CG 4.44Å; V451-P454 HydrophobicContact CG1-CG 4.28Å; S452-P454 WeakPolarHBondContact O-CD 3.42Å
455M98.2Very high96.4Very high24 Ų2455.3 Ų55.312%0.11828%0.278CS..  trans-146.8143.7179-168.753.160.300110.8T459 I460 K463 D478 L481 M482M455-T459 HydrophobicContact CE-CG2 4.05Å; M455-T459 HydrophobicContact SD-CG2 3.6Å; M455-I460 HydrophobicContact CG-CD1 4.1Å; M455-I460 HydrophobicContact CG-CG1 3.94Å; M455-I460 HydrophobicContact SD-CD1 4.47Å; M455-I460 HydrophobicContact SD-CG1 3.66Å; M455-K463 HydrophobicContact CE-CD 4.44Å; M455-D478 HydrophobicContact CG-CB 4.18Å; M455-D478 WeakPolarHBondContact CG-O 3.12Å; M455-D478 HydrophobicContact SD-CB 4.31Å; M455-L481 HydrophobicContact CB-CB 4.4Å; M455-L481 HydrophobicContact CB-CD2 4Å; M455-L481 HydrophobicContact CB-CG 3.97Å; M455-L481 HydrophobicContact CE-CD2 4.38Å; M455-L481 HydrophobicContact CG-CD2 4.49Å; M455-M482 HydrophobicContact CB-CB 4.16Å; M455-M482 HydrophobicContact CG-CB 4.18Å; M455-M482 WeakPolarHBondContact O-CG 3.5Å
456D98.1Very high96.5Very high6 Ų654 Ų543%0.03228%0.28CS..  trans-153.2165.2-174.975.693.8000111.6T435 P436 S458 T459 I460T435-D456 VanDerWaalsContact C-OD1 3.29Å; T435-D456 WeakPolarHBondContact CA-OD1 3.21Å; T435-D456 WeakPolarHBondContact O-CB 3.25Å; P436-D456 WeakPolarHBondContact CG-OD2 3.22Å; P436-D456 VanDerWaalsContact N-CG 3.29Å; D456-S458 VanDerWaalsContact C-N 3.32Å; D456-S458 PolarHBondContact O-N 3.44Å; D456-S458 WeakPolarHBondContact OD1-CA 3.21Å; D456-S458 VanDerWaalsContact OD1-CB 3.31Å; D456-S458 WeakPolarHBondContact OD1-CB 3.28Å; D456-S458 PolarHBondContact OD1-N 2.64Å; D456-S458 PolarHBondContact OD1-OG 3.01Å; D456-T459 PolarHBondContact O-N 3.3Å; D456-T459 PolarHBondContact OD1-N 2.82Å; D456-T459 WeakPolarHBondContact OD2-CB 3.34Å; D456-T459 PolarHBondContact OD2-OG1 3.32Å; D456-I460 WeakPolarHBondContact O-CG1 3.34Å; D456-I460 PolarHBondContact O-N 3.31Å
457L98.3Very high96.5Very high1 Ų157.9 Ų57.91%0.00529%0.29CS..Hα-helixtrans-64.5-29.8-175.4-66.3169.9000113.9I424 A430 F433 L434 R461 F479 M482I424-L457 HydrophobicContact CG2-CD1 4.11Å; I424-L457 HydrophobicContact CG2-CD2 3.94Å; A430-L457 HydrophobicContact CB-CD1 4.08Å; F433-L457 HydrophobicContact CB-CD1 4.18Å; F433-L457 HydrophobicContact CB-CG 4.39Å; F433-L457 VanDerWaalsContact O-CB 3.31Å; F433-L457 WeakPolarHBondContact O-CB 3.4Å; F433-L457 WeakPolarHBondContact O-CG 3.4Å; F433-L457 PolarHBondContact O-N 2.89Å; L434-L457 HydrophobicContact CD2-CD1 4.17Å; L457-R461 VanDerWaalsContact O-CB 3.23Å; L457-R461 WeakPolarHBondContact O-CB 3.24Å; L457-R461 PolarHBondContact O-N 2.95Å; L457-F479 HydrophobicContact CD2-CD1 4.26Å; L457-F479 HydrophobicContact CD2-CE1 3.58Å; L457-F479 HydrophobicContact CD2-CZ 4.4Å; L457-M482 HydrophobicContact CD2-CE 3.94Å; L457-M482 HydrophobicContact CD2-SD 3.89Å; L457-M482 HydrophobicContact CG-CE 4.29Å; L457-M482 HydrophobicContact CG-SD 3.75Å
458S97.7Very high96.4Very high41 Ų4160.8 Ų60.829%0.28730%0.304SS..Hα-helixtrans-76.6-3417575.80000112.3L434 D456 R461 R462L434-S458 WeakPolarHBondContact O-CB 3.48Å; L434-S458 PolarHBondContact O-N 3.45Å; D456-S458 VanDerWaalsContact C-N 3.32Å; D456-S458 PolarHBondContact O-N 3.44Å; D456-S458 WeakPolarHBondContact OD1-CA 3.21Å; D456-S458 VanDerWaalsContact OD1-CB 3.31Å; D456-S458 WeakPolarHBondContact OD1-CB 3.28Å; D456-S458 PolarHBondContact OD1-N 2.64Å; D456-S458 PolarHBondContact OD1-OG 3.01Å; S458-R461 PolarHBondContact O-N 3.32Å; S458-R462 WeakPolarHBondContact O-CB 3.44Å; S458-R462 PolarHBondContact O-N 3.23Å
459T98.3Very high96.6Very high17 Ų1758.4 Ų58.410%0.10429%0.288CS..Hα-helixtrans-68.5-45.1171.9-67.10000111.3M455 D456 R461 R462 K463M455-T459 HydrophobicContact CE-CG2 4.05Å; M455-T459 HydrophobicContact SD-CG2 3.6Å; D456-T459 PolarHBondContact O-N 3.3Å; D456-T459 PolarHBondContact OD1-N 2.82Å; D456-T459 WeakPolarHBondContact OD2-CB 3.34Å; D456-T459 PolarHBondContact OD2-OG1 3.32Å; T459-R461 VanDerWaalsContact C-N 3.28Å; T459-R461 PolarHBondContact O-N 3.19Å; T459-R462 PolarHBondContact O-N 3.08Å; T459-R462 PolarHBondContact OG1-NH1 3.3Å; T459-R462 PolarHBondContact OG1-NH2 3.05Å; T459-K463 HydrophobicContact CG2-CD 4.01Å; T459-K463 HydrophobicContact CG2-CG 4.31Å; T459-K463 WeakPolarHBondContact O-CB 3.48Å; T459-K463 WeakPolarHBondContact O-CG 3.26Å; T459-K463 PolarHBondContact O-N 2.99Å
460I98.3Very high96.5Very high0 Ų058.4 Ų58.40%029%0.285CS..Hα-helixtrans-57.8-43.9173-64.9170000110.3V421 M455 D456 L464 I475 D478 F479 M482V421-I460 HydrophobicContact CG2-CG2 4.03Å; M455-I460 HydrophobicContact CG-CD1 4.1Å; M455-I460 HydrophobicContact CG-CG1 3.94Å; M455-I460 HydrophobicContact SD-CD1 4.47Å; M455-I460 HydrophobicContact SD-CG1 3.66Å; D456-I460 WeakPolarHBondContact O-CG1 3.34Å; D456-I460 PolarHBondContact O-N 3.31Å; I460-L464 WeakPolarHBondContact O-CB 3.37Å; I460-L464 PolarHBondContact O-N 3.04Å; I460-L464 VanDerWaalsContact O-N 3.13Å; I460-I475 HydrophobicContact CG2-CG2 4.36Å; I460-D478 HydrophobicContact CD1-CB 4.41Å; I460-D478 HydrophobicContact CG1-CB 4.15Å; I460-F479 HydrophobicContact CD1-CB 4.49Å; I460-F479 HydrophobicContact CD1-CD1 4Å; I460-F479 HydrophobicContact CD1-CD2 4.39Å; I460-F479 HydrophobicContact CD1-CE1 4.37Å; I460-F479 HydrophobicContact CD1-CG 4.01Å; I460-F479 HydrophobicContact CG2-CD2 4.3Å; I460-F479 HydrophobicContact CG2-CE2 3.94Å; I460-F479 HydrophobicContact CG2-CZ 4.26Å; I460-M482 HydrophobicContact CD1-SD 4.37Å
461R98Very high96.5Very high105 Ų10556.9 Ų56.940%0.39628%0.278SS..Hα-helixtrans-60.2-49.5176-171.5176.6171.3-151.3-17.1111.8L418 V421 L457 S458 T459 L464 E465L418-R461 HydrophobicContact CD1-CG 4.23Å; V421-R461 HydrophobicContact CG1-CB 3.95Å; V421-R461 HydrophobicContact CG1-CG 4.32Å; L457-R461 VanDerWaalsContact O-CB 3.23Å; L457-R461 WeakPolarHBondContact O-CB 3.24Å; L457-R461 PolarHBondContact O-N 2.95Å; S458-R461 PolarHBondContact O-N 3.32Å; T459-R461 VanDerWaalsContact C-N 3.28Å; T459-R461 PolarHBondContact O-N 3.19Å; R461-L464 WeakPolarHBondContact O-CB 3.39Å; R461-L464 PolarHBondContact O-N 3Å; R461-E465 HydrophobicContact CG-CG 4.35Å; R461-E465 IonicContact CZ-OE1 3.89Å; R461-E465 IonicContact CZ-OE2 3.87Å; R461-E465 VanDerWaalsContact NE-CD 3.31Å; R461-E465 IonicContact NE-OE1 3.98Å; R461-E465 PolarHBondContact NE-OE1 3.14Å; R461-E465 IonicContact NE-OE2 3.73Å; R461-E465 PolarHBondContact NE-OE2 3.46Å; R461-E465 IonicContact NH2-OE1 2.63Å; R461-E465 PolarHBondContact NH2-OE1 2.88Å; R461-E465 IonicContact NH2-OE2 2.85Å; R461-E465 PolarHBondContact NH2-OE2 3.35Å; R461-E465 WeakPolarHBondContact O-CG 3.37Å; R461-E465 PolarHBondContact O-N 2.95Å
462R98.2Very high96.5Very high114 Ų11456.9 Ų56.943%0.4328%0.277SS..Hα-helixtrans-58.4-53.8179.3-177.4178.269.5-105.7-2.7110.9S458 T459 L464 E465 D466S458-R462 WeakPolarHBondContact O-CB 3.44Å; S458-R462 PolarHBondContact O-N 3.23Å; T459-R462 PolarHBondContact O-N 3.08Å; T459-R462 PolarHBondContact OG1-NH1 3.3Å; T459-R462 PolarHBondContact OG1-NH2 3.05Å; R462-L464 PolarHBondContact O-N 3.3Å; R462-L464 VanDerWaalsContact O-N 3.1Å; R462-E465 PolarHBondContact O-N 3.44Å; R462-E465 VanDerWaalsContact O-N 3.1Å; R462-D466 WeakPolarHBondContact CG-OD2 3.43Å; R462-D466 VanDerWaalsContact O-CB 3.29Å; R462-D466 WeakPolarHBondContact O-CB 3.3Å; R462-D466 PolarHBondContact O-N 3.37Å
463K98Very high96.5Very high24 Ų2452.4 Ų52.410%0.10425%0.246CC..Hα-helixtrans-55.1-31.4177.6-68.418068.9178.90112.8M455 T459 R467 E468 Y469 D478M455-K463 HydrophobicContact CE-CD 4.44Å; T459-K463 HydrophobicContact CG2-CD 4.01Å; T459-K463 HydrophobicContact CG2-CG 4.31Å; T459-K463 WeakPolarHBondContact O-CB 3.48Å; T459-K463 WeakPolarHBondContact O-CG 3.26Å; T459-K463 PolarHBondContact O-N 2.99Å; K463-R467 PolarHBondContact O-N 3.15Å; K463-E468 HydrophobicContact CB-CB 4.28Å; K463-E468 PolarHBondContact O-N 3.26Å; K463-Y469 HydrophobicContact CB-CD2 4.1Å; K463-Y469 HydrophobicContact CB-CE1 4.42Å; K463-Y469 HydrophobicContact CB-CE2 3.38Å; K463-D478 WeakPolarHBondContact CE-OD2 3.3Å; K463-D478 IonicContact NZ-OD1 3.31Å; K463-D478 IonicContact NZ-OD2 3.01Å; K463-D478 PolarHBondContact NZ-OD2 2.93Å
464L96.4Very high96.5Very high4 Ų450.5 Ų50.52%0.02123%0.234CC..Hα-helixtrans-79.2-42.4176.8-16969.4000113.4L413 L414 F417 L418 I460 R461 R462 R467 Y469 I475L413-L464 HydrophobicContact CB-CD1 4.13Å; L414-L464 HydrophobicContact CD1-CD2 4.23Å; L414-L464 HydrophobicContact CD1-CG 3.93Å; F417-L464 HydrophobicContact CB-CD1 4.21Å; F417-L464 HydrophobicContact CB-CD2 3.67Å; L418-L464 HydrophobicContact CB-CD2 4.16Å; I460-L464 WeakPolarHBondContact O-CB 3.37Å; I460-L464 PolarHBondContact O-N 3.04Å; I460-L464 VanDerWaalsContact O-N 3.13Å; R461-L464 WeakPolarHBondContact O-CB 3.39Å; R461-L464 PolarHBondContact O-N 3Å; R462-L464 PolarHBondContact O-N 3.3Å; R462-L464 VanDerWaalsContact O-N 3.1Å; L464-R467 PolarHBondContact O-N 2.64Å; L464-Y469 HydrophobicContact CB-CD2 4.11Å; L464-Y469 HydrophobicContact CB-CE2 4.02Å; L464-Y469 HydrophobicContact CD1-CD2 3.91Å; L464-Y469 HydrophobicContact CD1-CE2 4.44Å; L464-I475 HydrophobicContact CD1-CD1 3.72Å; L464-I475 HydrophobicContact CD1-CG1 4.4Å
465E96.4Very high96.5Very high70 Ų7047 Ų4733%0.32721%0.212SC..Hα-helixtrans-70.7-39.6177.7-71.5176.5161.300111.5L414 R461 R462 R467L414-E465 HydrophobicContact CD1-CG 3.99Å; R461-E465 HydrophobicContact CG-CG 4.35Å; R461-E465 IonicContact CZ-OE1 3.89Å; R461-E465 IonicContact CZ-OE2 3.87Å; R461-E465 VanDerWaalsContact NE-CD 3.31Å; R461-E465 IonicContact NE-OE1 3.98Å; R461-E465 PolarHBondContact NE-OE1 3.14Å; R461-E465 IonicContact NE-OE2 3.73Å; R461-E465 PolarHBondContact NE-OE2 3.46Å; R461-E465 IonicContact NH2-OE1 2.63Å; R461-E465 PolarHBondContact NH2-OE1 2.88Å; R461-E465 IonicContact NH2-OE2 2.85Å; R461-E465 PolarHBondContact NH2-OE2 3.35Å; R461-E465 WeakPolarHBondContact O-CG 3.37Å; R461-E465 PolarHBondContact O-N 2.95Å; R462-E465 PolarHBondContact O-N 3.44Å; R462-E465 VanDerWaalsContact O-N 3.1Å; E465-R467 VanDerWaalsContact C-N 3.26Å; E465-R467 PolarHBondContact O-N 3.28Å
466D96.6Very high96.4Very high107 Ų10745.9 Ų45.957%0.57221%0.206SC*.THydrogen-bonded Turntrans-79.3-2.3175.7-65.7-20.9000113.6R462R462-D466 WeakPolarHBondContact CG-OD2 3.43Å; R462-D466 VanDerWaalsContact O-CB 3.29Å; R462-D466 WeakPolarHBondContact O-CB 3.3Å; R462-D466 PolarHBondContact O-N 3.37Å
467R93.6Very high96.3Very high148 Ų14848 Ų4856%0.55822%0.217SC*.THydrogen-bonded Turntrans67.430171.1-49.6179.3-177.5-168.2-0.5115.7K463 L464 E465 Y469K463-R467 PolarHBondContact O-N 3.15Å; L464-R467 PolarHBondContact O-N 2.64Å; E465-R467 VanDerWaalsContact C-N 3.26Å; E465-R467 PolarHBondContact O-N 3.28Å; R467-Y469 VanDerWaalsContact C-N 3.34Å; R467-Y469 PolarHBondContact O-N 3.44Å
468E96.1Very high96.3Very high74 Ų7448.9 Ų48.935%0.34622%0.222SC..  trans-64.3-37.2176.8-71.1-173.5-138.300113S329 K463S329-E468 VanDerWaalsContact CB-OE2 3.31Å; S329-E468 WeakPolarHBondContact CB-OE2 3.46Å; S329-E468 PolarHBondContact OG-OE2 2.93Å; K463-E468 HydrophobicContact CB-CB 4.28Å; K463-E468 PolarHBondContact O-N 3.26Å
469Y96.9Very high96.2Very high8 Ų847 Ų473%0.03121%0.209CC..  trans-71.8141.9-175.2-59.6-68.6000113.8L413 K463 L464 R467 E474 I475 D478L413-Y469 WeakPolarHBondContact CD1-O 3.47Å; K463-Y469 HydrophobicContact CB-CD2 4.1Å; K463-Y469 HydrophobicContact CB-CE1 4.42Å; K463-Y469 HydrophobicContact CB-CE2 3.38Å; L464-Y469 HydrophobicContact CB-CD2 4.11Å; L464-Y469 HydrophobicContact CB-CE2 4.02Å; L464-Y469 HydrophobicContact CD1-CD2 3.91Å; L464-Y469 HydrophobicContact CD1-CE2 4.44Å; R467-Y469 VanDerWaalsContact C-N 3.34Å; R467-Y469 PolarHBondContact O-N 3.44Å; Y469-E474 HydrophobicContact CD1-CB 3.73Å; Y469-E474 HydrophobicContact CE1-CB 4.29Å; Y469-I475 HydrophobicContact CD1-CG1 3.76Å; Y469-I475 HydrophobicContact CD2-CD1 4.29Å; Y469-I475 HydrophobicContact CD2-CG1 3.64Å; Y469-I475 HydrophobicContact CE1-CG1 4.13Å; Y469-I475 HydrophobicContact CE2-CG1 4Å; Y469-I475 HydrophobicContact CE2-CG2 4.41Å; Y469-I475 HydrophobicContact CG-CD1 4.3Å; Y469-I475 HydrophobicContact CG-CG1 3.49Å; Y469-I475 VanDerWaalsContact CG-CG1 3.49Å; Y469-D478 WeakPolarHBondContact CE1-OD2 3.41Å; Y469-D478 VanDerWaalsContact CZ-OD2 3.29Å; Y469-D478 PolarHBondContact OH-OD2 2.94Å
470K91.8Very high96.1Very high159 Ų15946.6 Ų46.669%0.69121%0.205SC*.  trans-123.1-26.6-175.8-61.5165.7-168.1159.10113.2W408 E474W408-K470 VanDerWaalsContact CD1-O 3.3Å; K470-E474 PolarHBondContact N-OE2 3.1Å
471D92.2Very high96Very high41 Ų4148.9 Ų48.922%0.21922%0.217CC..SBendtrans-130.3141.3170.9-170.5-86.5000111.6W408 W473 E474W408-D471 PolarHBondContact NE1-OD2 3.14Å; D471-W473 PolarHBondContact O-N 3.17Å; D471-W473 WeakPolarHBondContact OD1-CB 3.37Å; D471-W473 PolarHBondContact OD1-N 3.36Å; D471-E474 HydrophobicContact CB-CG 4.44Å; D471-E474 PolarHBondContact N-OE2 3.15Å; D471-E474 WeakPolarHBondContact O-CB 3.37Å; D471-E474 PolarHBondContact O-N 3.3Å
472P95.7Very high96Very high0 Ų044.1 Ų44.10%020%0.2CC..Hα-helixtrans-49.9-29.1174.5-33.940000115.6W408 L413 F417 I475 V476 M515 L518 F520W408-P472 HydrophobicContact CD2-CG 3.72Å; W408-P472 HydrophobicContact CE3-CG 3.85Å; W408-P472 HydrophobicContact CG-CG 4.3Å; W408-P472 HydrophobicContact CH2-CG 3.92Å; W408-P472 HydrophobicContact CZ2-CG 3.84Å; W408-P472 HydrophobicContact CZ3-CG 3.91Å; W408-P472 VanDerWaalsContact NE1-CD 3.31Å; L413-P472 HydrophobicContact CD2-CB 4.5Å; L413-P472 HydrophobicContact CD2-CG 3.58Å; F417-P472 HydrophobicContact CE2-CB 3.87Å; F417-P472 HydrophobicContact CE2-CG 4.39Å; F417-P472 HydrophobicContact CZ-CB 3.78Å; P472-I475 PolarHBondContact O-N 3.42Å; P472-V476 WeakPolarHBondContact O-CG2 3.37Å; P472-V476 PolarHBondContact O-N 3.32Å; P472-M515 HydrophobicContact CB-CE 4.11Å; P472-M515 HydrophobicContact CB-SD 3.74Å; P472-L518 HydrophobicContact CB-CD1 4.19Å; P472-L518 HydrophobicContact CG-CD1 4.17Å; P472-F520 HydrophobicContact CB-CE2 3.6Å; P472-F520 HydrophobicContact CB-CZ 4.01Å; P472-F520 HydrophobicContact CG-CE2 3.74Å; P472-F520 HydrophobicContact CG-CZ 4.05Å
473W95Very high96Very high3 Ų338.8 Ų38.81%0.01118%0.18CC..Hα-helixtrans-69.5-30.2175.6-76.798.5000113.7D471 I475 V476 D477 M515 F520 C522 F610 K619 H621D471-W473 PolarHBondContact O-N 3.17Å; D471-W473 WeakPolarHBondContact OD1-CB 3.37Å; D471-W473 PolarHBondContact OD1-N 3.36Å; W473-I475 VanDerWaalsContact C-N 3.25Å; W473-I475 PolarHBondContact O-N 3.19Å; W473-V476 HydrophobicContact CE3-CB 4.2Å; W473-V476 HydrophobicContact CE3-CG1 3.94Å; W473-V476 HydrophobicContact CZ3-CG1 3.9Å; W473-V476 PolarHBondContact O-N 2.82Å; W473-D477 WeakPolarHBondContact O-CB 3.44Å; W473-D477 PolarHBondContact O-N 2.78Å; W473-M515 HydrophobicContact CD2-CE 3.61Å; W473-M515 HydrophobicContact CE3-CE 4.12Å; W473-M515 HydrophobicContact CG-CE 3.96Å; W473-M515 HydrophobicContact CH2-CE 4.16Å; W473-M515 HydrophobicContact CZ2-CE 3.67Å; W473-M515 HydrophobicContact CZ3-CE 4.37Å; W473-F520 AromaticContact CD1-CE1 3.56Å; W473-F520 AromaticContact CD1-CZ 3.83Å; W473-F520 AromaticContact NE1-CD1 3.33Å; W473-F520 VanDerWaalsContact NE1-CD1 3.33Å; W473-F520 AromaticContact NE1-CE1 3.29Å; W473-F520 VanDerWaalsContact NE1-CE1 3.29Å; W473-F520 AromaticContact NE1-CG 3.92Å; W473-F520 AromaticContact NE1-CZ 3.87Å; W473-C522 VanDerWaalsContact CH2-O 3.32Å; W473-C522 WeakPolarHBondContact CH2-O 3.26Å; W473-C522 WeakPolarHBondContact CZ2-O 3.39Å; W473-F610 HydrophobicContact CH2-CE1 4.01Å; W473-F610 HydrophobicContact CH2-CZ 4.32Å; W473-F610 HydrophobicContact CZ2-CE1 4Å; W473-F610 HydrophobicContact CZ3-CE1 4.38Å; W473-F610 HydrophobicContact CZ3-CZ 4.29Å; W473-K619 HydrophobicContact CB-CD 4.21Å; W473-K619 HydrophobicContact CD2-CD 4.04Å; W473-K619 HydrophobicContact CG-CD 3.68Å; W473-K619 HydrophobicContact CG-CG 4.38Å; W473-K619 PolarHBondContact NE1-O 3.04Å; W473-H621 AromaticContact CH2-CE1 3.86Å
474E95.7Very high95.8Very high42 Ų4239.9 Ų39.920%0.19619%0.187CC..Hα-helixtrans-62.6-37.2177.3-61.8163.7173.100110.9V325 Y469 K470 D471 D478V325-E474 HydrophobicContact CG1-CG 4.17Å; Y469-E474 HydrophobicContact CD1-CB 3.73Å; Y469-E474 HydrophobicContact CE1-CB 4.29Å; K470-E474 PolarHBondContact N-OE2 3.1Å; D471-E474 HydrophobicContact CB-CG 4.44Å; D471-E474 PolarHBondContact N-OE2 3.15Å; D471-E474 WeakPolarHBondContact O-CB 3.37Å; D471-E474 PolarHBondContact O-N 3.3Å; E474-D478 PolarHBondContact O-N 2.76Å
475I97.2Very high95.8Very high0 Ų040.2 Ų40.20%019%0.188CC..Hα-helixtrans-69-43.2176-48166.1000110.5L413 F417 I460 L464 Y469 P472 W473 F479L413-I475 HydrophobicContact CB-CD1 4.12Å; L413-I475 HydrophobicContact CD1-CD1 4.44Å; L413-I475 HydrophobicContact CD2-CD1 4.32Å; F417-I475 HydrophobicContact CB-CD1 4.19Å; F417-I475 HydrophobicContact CB-CG2 4.32Å; F417-I475 HydrophobicContact CD1-CB 3.91Å; F417-I475 HydrophobicContact CD1-CD1 3.96Å; F417-I475 HydrophobicContact CD1-CG2 3.45Å; F417-I475 VanDerWaalsContact CD1-CG2 3.45Å; F417-I475 HydrophobicContact CD2-CD1 3.59Å; F417-I475 HydrophobicContact CE1-CB 3.86Å; F417-I475 HydrophobicContact CE1-CD1 4.15Å; F417-I475 HydrophobicContact CE1-CG2 3.89Å; F417-I475 HydrophobicContact CE2-CD1 3.83Å; F417-I475 HydrophobicContact CG-CB 4.47Å; F417-I475 HydrophobicContact CG-CD1 3.65Å; F417-I475 HydrophobicContact CG-CG2 4.04Å; F417-I475 HydrophobicContact CZ-CB 4.41Å; F417-I475 HydrophobicContact CZ-CD1 4.1Å; I460-I475 HydrophobicContact CG2-CG2 4.36Å; L464-I475 HydrophobicContact CD1-CD1 3.72Å; L464-I475 HydrophobicContact CD1-CG1 4.4Å; Y469-I475 HydrophobicContact CD1-CG1 3.76Å; Y469-I475 HydrophobicContact CD2-CD1 4.29Å; Y469-I475 HydrophobicContact CD2-CG1 3.64Å; Y469-I475 HydrophobicContact CE1-CG1 4.13Å; Y469-I475 HydrophobicContact CE2-CG1 4Å; Y469-I475 HydrophobicContact CE2-CG2 4.41Å; Y469-I475 HydrophobicContact CG-CD1 4.3Å; Y469-I475 HydrophobicContact CG-CG1 3.49Å; Y469-I475 VanDerWaalsContact CG-CG1 3.49Å; P472-I475 PolarHBondContact O-N 3.42Å; W473-I475 VanDerWaalsContact C-N 3.25Å; W473-I475 PolarHBondContact O-N 3.19Å; I475-F479 HydrophobicContact CG2-CD2 4.22Å; I475-F479 HydrophobicContact CG2-CE2 4.18Å; I475-F479 VanDerWaalsContact O-CD2 3.31Å; I475-F479 WeakPolarHBondContact O-CD2 3.33Å; I475-F479 PolarHBondContact O-N 3.05Å; I475-F479 VanDerWaalsContact O-N 3.09Å
476V96.5Very high95.8Very high0 Ų037.3 Ų37.30%018%0.176CC..Hα-helixtrans-67-41.2178.4171.30000111.6F417 P472 W473 F479 W480 F507 I511 M515 G523F417-V476 HydrophobicContact CE1-CG2 3.89Å; F417-V476 HydrophobicContact CZ-CG2 4.29Å; P472-V476 WeakPolarHBondContact O-CG2 3.37Å; P472-V476 PolarHBondContact O-N 3.32Å; W473-V476 HydrophobicContact CE3-CB 4.2Å; W473-V476 HydrophobicContact CE3-CG1 3.94Å; W473-V476 HydrophobicContact CZ3-CG1 3.9Å; W473-V476 PolarHBondContact O-N 2.82Å; V476-F479 WeakPolarHBondContact O-CB 3.47Å; V476-F479 PolarHBondContact O-N 3.09Å; V476-W480 PolarHBondContact O-N 2.82Å; V476-F507 HydrophobicContact CG1-CZ 4.41Å; V476-I511 HydrophobicContact CG2-CD1 3.72Å; V476-I511 HydrophobicContact CG2-CG1 3.75Å; V476-M515 HydrophobicContact CG2-CE 4.08Å; V476-M515 HydrophobicContact CG2-CG 4.19Å; V476-M515 HydrophobicContact CG2-SD 4.02Å; V476-G523 WeakPolarHBondContact CG1-O 3.3Å
477D95.3Very high95.7Very high49 Ų4935.2 Ų35.226%0.26216%0.161SC..Hα-helixtrans-69.7-34-179.1-66.3-22.5000109.9W473 W480 L481 K619W473-D477 WeakPolarHBondContact O-CB 3.44Å; W473-D477 PolarHBondContact O-N 2.78Å; D477-W480 PolarHBondContact O-N 2.8Å; D477-L481 WeakPolarHBondContact O-CB 3.39Å; D477-L481 PolarHBondContact O-N 2.83Å; D477-K619 IonicContact OD2-NZ 3.54Å; D477-K619 PolarHBondContact OD2-NZ 2.86Å
478D97.7Very high95.7Very high20 Ų2033.4 Ų33.411%0.10716%0.161CC..Hα-helixtrans-66-41.3168.3-90.1-6.5000113.4M455 I460 K463 Y469 E474 W480 L481 M482M455-D478 HydrophobicContact CG-CB 4.18Å; M455-D478 WeakPolarHBondContact CG-O 3.12Å; M455-D478 HydrophobicContact SD-CB 4.31Å; I460-D478 HydrophobicContact CD1-CB 4.41Å; I460-D478 HydrophobicContact CG1-CB 4.15Å; K463-D478 WeakPolarHBondContact CE-OD2 3.3Å; K463-D478 IonicContact NZ-OD1 3.31Å; K463-D478 IonicContact NZ-OD2 3.01Å; K463-D478 PolarHBondContact NZ-OD2 2.93Å; Y469-D478 WeakPolarHBondContact CE1-OD2 3.41Å; Y469-D478 VanDerWaalsContact CZ-OD2 3.29Å; Y469-D478 PolarHBondContact OH-OD2 2.94Å; E474-D478 PolarHBondContact O-N 2.76Å; D478-W480 VanDerWaalsContact C-N 3.3Å; D478-W480 PolarHBondContact O-N 2.93Å; D478-L481 WeakPolarHBondContact O-CB 3.24Å; D478-L481 PolarHBondContact O-N 2.85Å; D478-M482 PolarHBondContact O-N 3.01Å
479F97.5Very high95.7Very high1 Ų132.2 Ų32.20%0.00415%0.154CC..Hα-helixtrans-60.4-41.2172.6-93.3-74.5000111.4V420 V421 I424 L457 I460 I475 V476 M482 L483 F507V420-F479 HydrophobicContact CG1-CE2 4.34Å; V420-F479 HydrophobicContact CG1-CZ 4.15Å; V421-F479 HydrophobicContact CB-CZ 4.45Å; V421-F479 HydrophobicContact CG2-CE2 4.06Å; V421-F479 HydrophobicContact CG2-CZ 3.69Å; I424-F479 HydrophobicContact CD1-CD1 4.34Å; I424-F479 HydrophobicContact CD1-CE1 3.59Å; I424-F479 HydrophobicContact CD1-CZ 3.98Å; I424-F479 HydrophobicContact CG2-CE1 4.5Å; L457-F479 HydrophobicContact CD2-CD1 4.26Å; L457-F479 HydrophobicContact CD2-CE1 3.58Å; L457-F479 HydrophobicContact CD2-CZ 4.4Å; I460-F479 HydrophobicContact CD1-CB 4.49Å; I460-F479 HydrophobicContact CD1-CD1 4Å; I460-F479 HydrophobicContact CD1-CD2 4.39Å; I460-F479 HydrophobicContact CD1-CE1 4.37Å; I460-F479 HydrophobicContact CD1-CG 4.01Å; I460-F479 HydrophobicContact CG2-CD2 4.3Å; I460-F479 HydrophobicContact CG2-CE2 3.94Å; I460-F479 HydrophobicContact CG2-CZ 4.26Å; I475-F479 HydrophobicContact CG2-CD2 4.22Å; I475-F479 HydrophobicContact CG2-CE2 4.18Å; I475-F479 VanDerWaalsContact O-CD2 3.31Å; I475-F479 WeakPolarHBondContact O-CD2 3.33Å; I475-F479 PolarHBondContact O-N 3.05Å; I475-F479 VanDerWaalsContact O-N 3.09Å; V476-F479 WeakPolarHBondContact O-CB 3.47Å; V476-F479 PolarHBondContact O-N 3.09Å; F479-M482 HydrophobicContact CD1-CE 4.16Å; F479-L483 WeakPolarHBondContact O-CG 3.2Å; F479-L483 PolarHBondContact O-N 3.48Å; F479-F507 HydrophobicContact CB-CD1 4.43Å; F479-F507 HydrophobicContact CB-CE1 3.66Å; F479-F507 HydrophobicContact CB-CE2 3.82Å; F479-F507 HydrophobicContact CB-CZ 3.3Å; F479-F507 HydrophobicContact CD1-CD2 4.19Å; F479-F507 AromaticContact CD1-CE2 3.98Å; F479-F507 HydrophobicContact CD1-CE2 3.98Å; F479-F507 HydrophobicContact CD1-CZ 4.33Å; F479-F507 AromaticContact CD2-CE2 3.8Å; F479-F507 HydrophobicContact CD2-CE2 3.8Å; F479-F507 HydrophobicContact CD2-CZ 4.02Å; F479-F507 HydrophobicContact CE1-CE2 4.45Å; F479-F507 HydrophobicContact CE2-CE2 4.3Å; F479-F507 HydrophobicContact CG-CD2 4.29Å; F479-F507 HydrophobicContact CG-CE1 4.35Å; F479-F507 AromaticContact CG-CE2 3.62Å; F479-F507 HydrophobicContact CG-CE2 3.62Å; F479-F507 AromaticContact CG-CZ 3.68Å; F479-F507 HydrophobicContact CG-CZ 3.68Å
480W95.5Very high95.6Very high9 Ų933.5 Ų33.53%0.03416%0.162CC..Hα-helixtrans-70.1-33.5174.3-75.3116000112.4V476 D477 D478 L483 N484 W487 A504 F507 E508 G523 E525V476-W480 PolarHBondContact O-N 2.82Å; D477-W480 PolarHBondContact O-N 2.8Å; D478-W480 VanDerWaalsContact C-N 3.3Å; D478-W480 PolarHBondContact O-N 2.93Å; W480-L483 HydrophobicContact CE3-CD1 3.96Å; W480-L483 HydrophobicContact CZ3-CD1 4.07Å; W480-L483 PolarHBondContact O-N 3.19Å; W480-N484 WeakPolarHBondContact O-CB 3.28Å; W480-N484 VanDerWaalsContact O-CG 3.3Å; W480-N484 PolarHBondContact O-N 3.46Å; W480-N484 PolarHBondContact O-ND2 3.42Å; W480-W487 HydrophobicContact CZ3-CH2 4.13Å; W480-W487 HydrophobicContact CZ3-CZ3 4.27Å; W480-A504 HydrophobicContact CZ3-CB 4.38Å; W480-F507 HydrophobicContact CD2-CE1 4.12Å; W480-F507 AromaticContact CE2-CE1 3.66Å; W480-F507 HydrophobicContact CG-CE1 4.35Å; W480-F507 HydrophobicContact CH2-CD1 4.46Å; W480-F507 HydrophobicContact CZ2-CD1 4.07Å; W480-F507 HydrophobicContact CZ2-CE1 4Å; W480-F507 AromaticContact NE1-CE1 3.63Å; W480-E508 HydrophobicContact CH2-CG 3.86Å; W480-E508 HydrophobicContact CZ2-CG 3.99Å; W480-G523 PolarHBondContact NE1-O 3.36Å; W480-E525 HydrophobicContact CD2-CB 3.89Å; W480-E525 HydrophobicContact CE3-CB 4.44Å; W480-E525 HydrophobicContact CG-CB 4.18Å; W480-E525 HydrophobicContact CZ2-CB 4.13Å
481L96.7Very high95.5Very high48 Ų4834 Ų3425%0.25116%0.164SC..Hα-helixtrans-60.2-49.6173.8177.759.4000111.2D453 M455 D477 D478 L483 N484 N485D453-L481 HydrophobicContact CB-CD1 4.34Å; D453-L481 HydrophobicContact CB-CD2 4.11Å; M455-L481 HydrophobicContact CB-CB 4.4Å; M455-L481 HydrophobicContact CB-CD2 4Å; M455-L481 HydrophobicContact CB-CG 3.97Å; M455-L481 HydrophobicContact CE-CD2 4.38Å; M455-L481 HydrophobicContact CG-CD2 4.49Å; D477-L481 WeakPolarHBondContact O-CB 3.39Å; D477-L481 PolarHBondContact O-N 2.83Å; D478-L481 WeakPolarHBondContact O-CB 3.24Å; D478-L481 PolarHBondContact O-N 2.85Å; L481-L483 VanDerWaalsContact C-N 3.32Å; L481-L483 PolarHBondContact O-N 2.69Å; L481-N484 PolarHBondContact O-N 2.91Å; L481-N485 VanDerWaalsContact O-CB 3.26Å; L481-N485 WeakPolarHBondContact O-CB 3.44Å; L481-N485 PolarHBondContact O-N 3.03Å; L481-N485 PolarHBondContact O-ND2 3.31Å
482M97.8Very high95.4Very high5 Ų538 Ų383%0.02518%0.179CC..Hα-helixtrans-53.1-46.3174.5176.4-170.973.900112.5F433 M455 L457 I460 D478 F479 A486 L503F433-M482 HydrophobicContact CB-SD 3.93Å; F433-M482 HydrophobicContact CD1-CG 4Å; F433-M482 HydrophobicContact CD1-SD 4.3Å; M455-M482 HydrophobicContact CB-CB 4.16Å; M455-M482 HydrophobicContact CG-CB 4.18Å; M455-M482 WeakPolarHBondContact O-CG 3.5Å; L457-M482 HydrophobicContact CD2-CE 3.94Å; L457-M482 HydrophobicContact CD2-SD 3.89Å; L457-M482 HydrophobicContact CG-CE 4.29Å; L457-M482 HydrophobicContact CG-SD 3.75Å; I460-M482 HydrophobicContact CD1-SD 4.37Å; D478-M482 PolarHBondContact O-N 3.01Å; F479-M482 HydrophobicContact CD1-CE 4.16Å; M482-A486 PolarHBondContact O-N 3.42Å; M482-L503 HydrophobicContact CE-CD2 4.39Å
483L96.5Very high95.1Very high2 Ų243.2 Ų43.21%0.0121%0.211CC..Hα-helixtrans-71.4-43.4-179.6-64.7167000112.1F479 W480 L481 A486 W487 C500 L503 A504 F507F479-L483 WeakPolarHBondContact O-CG 3.2Å; F479-L483 PolarHBondContact O-N 3.48Å; W480-L483 HydrophobicContact CE3-CD1 3.96Å; W480-L483 HydrophobicContact CZ3-CD1 4.07Å; W480-L483 PolarHBondContact O-N 3.19Å; L481-L483 VanDerWaalsContact C-N 3.32Å; L481-L483 PolarHBondContact O-N 2.69Å; L483-A486 PolarHBondContact O-N 2.98Å; L483-W487 HydrophobicContact CB-CH2 4.44Å; L483-W487 HydrophobicContact CB-CZ3 4.25Å; L483-W487 PolarHBondContact O-N 3.42Å; L483-C500 PolarHBondContact O-SG 3.4Å; L483-L503 HydrophobicContact CD2-CB 4.32Å; L483-L503 HydrophobicContact CD2-CD2 4.33Å; L483-A504 HydrophobicContact CD1-CB 3.84Å; L483-A504 HydrophobicContact CD2-CB 4.2Å; L483-F507 HydrophobicContact CD1-CD1 3.94Å
484N94.1Very high95.1Very high48 Ų4844.6 Ų44.626%0.25722%0.222SC..Hα-helixtrans-66.8-40.1179.4-77.3-49000111.8W480 L481 A486 W487 L488 E525W480-N484 WeakPolarHBondContact O-CB 3.28Å; W480-N484 VanDerWaalsContact O-CG 3.3Å; W480-N484 PolarHBondContact O-N 3.46Å; W480-N484 PolarHBondContact O-ND2 3.42Å; L481-N484 PolarHBondContact O-N 2.91Å; N484-A486 VanDerWaalsContact C-N 3.33Å; N484-A486 PolarHBondContact O-N 3.44Å; N484-W487 PolarHBondContact O-N 3.09Å; N484-L488 VanDerWaalsContact O-CB 3.26Å; N484-L488 WeakPolarHBondContact O-CB 3.42Å; N484-L488 PolarHBondContact O-N 3.01Å; N484-E525 PolarHBondContact ND2-OE2 3.39Å
485N96.6Very high95.1Very high10 Ų1049 Ų495%0.05324%0.24CC..Hα-helixtrans-57.2-45.2172.5-74.5-19000112V451 D453 L481 L488 Y489V451-N485 HydrophobicContact CG1-CB 3.93Å; V451-N485 VanDerWaalsContact CG1-CG 3.45Å; V451-N485 HydrophobicContact CG2-CB 4.03Å; D453-N485 PolarHBondContact O-ND2 2.7Å; L481-N485 VanDerWaalsContact O-CB 3.26Å; L481-N485 WeakPolarHBondContact O-CB 3.44Å; L481-N485 PolarHBondContact O-N 3.03Å; L481-N485 PolarHBondContact O-ND2 3.31Å; N485-L488 PolarHBondContact O-N 3.07Å; N485-Y489 PolarHBondContact O-N 3.47Å
486A96.5Very high95Very high9 Ų950.9 Ų50.97%0.07425%0.251CS..Hα-helixtrans-67.2-38.7178.300000112.4F433 M482 L483 N484 N490 C500F433-A486 HydrophobicContact CE1-CB 3.62Å; F433-A486 HydrophobicContact CZ-CB 4.3Å; M482-A486 PolarHBondContact O-N 3.42Å; L483-A486 PolarHBondContact O-N 2.98Å; N484-A486 VanDerWaalsContact C-N 3.33Å; N484-A486 PolarHBondContact O-N 3.44Å; A486-N490 WeakPolarHBondContact O-CB 3.2Å; A486-N490 PolarHBondContact O-N 2.63Å; A486-N490 PolarHBondContact O-ND2 3.34Å; A486-C500 HydrophobicContact CB-CB 4.31Å
487W94.3Very high95Very high63 Ų6353.2 Ų53.224%0.23926%0.26CS..Hα-helixtrans-70.6-27.5172.9-70.8-36.9000114.2W480 L483 N484 Y497 T501 A504W480-W487 HydrophobicContact CZ3-CH2 4.13Å; W480-W487 HydrophobicContact CZ3-CZ3 4.27Å; L483-W487 HydrophobicContact CB-CH2 4.44Å; L483-W487 HydrophobicContact CB-CZ3 4.25Å; L483-W487 PolarHBondContact O-N 3.42Å; N484-W487 PolarHBondContact O-N 3.09Å; W487-Y497 HydrophobicContact CB-CD2 4.28Å; W487-Y497 HydrophobicContact CB-CE2 3.75Å; W487-Y497 AromaticContact CD1-CD1 4Å; W487-Y497 AromaticContact CD1-CD2 3.59Å; W487-Y497 AromaticContact CD1-CE1 3.82Å; W487-Y497 AromaticContact CD1-CE2 3.4Å; W487-Y497 AromaticContact CD1-CG 3.88Å; W487-Y497 AromaticContact CD1-CZ 3.5Å; W487-Y497 HydrophobicContact CG-CD2 4.3Å; W487-Y497 AromaticContact CG-CE2 3.84Å; W487-Y497 HydrophobicContact CG-CE2 3.84Å; W487-T501 PolarHBondContact NE1-OG1 3.31Å; W487-A504 HydrophobicContact CH2-CB 3.56Å; W487-A504 HydrophobicContact CZ2-CB 3.6Å
488L93.3Very high95Very high110 Ų11055.9 Ų55.958%0.57627%0.27SS*.Hα-helixtrans-72.9-50.3176.8176.962.2000111.2I450 N484 N485I450-L488 HydrophobicContact CG2-CD2 4.47Å; I450-L488 HydrophobicContact CG2-CG 4.09Å; I450-L488 WeakPolarHBondContact O-CD2 3.12Å; N484-L488 VanDerWaalsContact O-CB 3.26Å; N484-L488 WeakPolarHBondContact O-CB 3.42Å; N484-L488 PolarHBondContact O-N 3.01Å; N485-L488 PolarHBondContact O-N 3.07Å
489Y96.2Very high94.9Very high50 Ų5055.1 Ų55.120%0.19627%0.266CS..Hα-helixtrans-73.2-39.7-178.8-173.1-97.1000112.8I444 D446 Y447 I450 N485I444-Y489 HydrophobicContact CB-CE1 4.48Å; I444-Y489 WeakPolarHBondContact CB-OH 3.38Å; I444-Y489 HydrophobicContact CD1-CE1 4.25Å; I444-Y489 HydrophobicContact CG2-CE1 4.32Å; I444-Y489 WeakPolarHBondContact CG2-OH 3.43Å; D446-Y489 WeakPolarHBondContact OD1-CE2 3.11Å; D446-Y489 PolarHBondContact OD1-OH 2.9Å; Y447-Y489 AromaticContact CD2-CD1 3.87Å; Y447-Y489 HydrophobicContact CD2-CD1 3.87Å; Y447-Y489 AromaticContact CD2-CD2 3.64Å; Y447-Y489 HydrophobicContact CD2-CD2 3.64Å; Y447-Y489 HydrophobicContact CD2-CE1 4.18Å; Y447-Y489 AromaticContact CD2-CE2 3.97Å; Y447-Y489 HydrophobicContact CD2-CE2 3.97Å; Y447-Y489 AromaticContact CD2-CG 3.62Å; Y447-Y489 HydrophobicContact CD2-CG 3.62Å; Y447-Y489 HydrophobicContact CE2-CD1 4.28Å; Y447-Y489 HydrophobicContact CE2-CD2 4.36Å; Y447-Y489 AromaticContact CE2-CG 3.98Å; Y447-Y489 HydrophobicContact CE2-CG 3.98Å; Y447-Y489 HydrophobicContact CG-CD2 4.41Å; Y447-Y489 HydrophobicContact CG-CE2 4.48Å; I450-Y489 HydrophobicContact CB-CD2 4.05Å; I450-Y489 HydrophobicContact CD1-CD2 4.04Å; I450-Y489 HydrophobicContact CD1-CE2 3.97Å; I450-Y489 HydrophobicContact CG2-CD2 4.01Å; N485-Y489 PolarHBondContact O-N 3.47Å
490N95Very high94.9Very high35 Ų3555.1 Ų55.119%0.18727%0.266CS..SBendtrans-90.9138.5-171.1-68.5-91.5000113.6A486 V496 Y497A486-N490 WeakPolarHBondContact O-CB 3.2Å; A486-N490 PolarHBondContact O-N 2.63Å; A486-N490 PolarHBondContact O-ND2 3.34Å; N490-V496 WeakPolarHBondContact OD1-CB 3.25Å; N490-Y497 HydrophobicContact CB-CD2 4.48Å; N490-Y497 VanDerWaalsContact O-CD2 3.24Å; N490-Y497 WeakPolarHBondContact O-CD2 3.47Å
491K90.3Very high94.9Very high168 Ų16856.8 Ų56.873%0.7328%0.277SS*.  trans-65.6139.7170.7-66175.5-177.4170.20110.9T493 S494 Y497K491-T493 PolarHBondContact O-N 2.95Å; K491-S494 WeakPolarHBondContact O-CB 3.22Å; K491-S494 PolarHBondContact O-N 3.42Å; K491-S494 PolarHBondContact O-OG 3.08Å; K491-Y497 WeakPolarHBondContact O-CB 3.33Å
492K89.4Confident94.8Very high125 Ų12559.1 Ų59.154%0.54328%0.283SS..THydrogen-bonded Turntrans-48.6-22.2178.9-64.1-172.5177.2178.80115.2Y497 D546K492-Y497 HydrophobicContact CB-CD1 4.44Å; K492-Y497 HydrophobicContact CB-CE1 4.3Å; K492-Y497 HydrophobicContact CG-CD2 4.49Å; K492-Y497 HydrophobicContact CG-CE1 4.09Å; K492-Y497 HydrophobicContact CG-CE2 3.94Å; K492-D546 IonicContact NZ-OD1 2.68Å; K492-D546 PolarHBondContact NZ-OD1 3.12Å
493T90.7Very high94.8Very high110 Ų11059 Ų5968%0.67528%0.282SS*.THydrogen-bonded Turntrans-85.7-16.7179.248.60000114.9K491 K498K491-T493 PolarHBondContact O-N 2.95Å; T493-K498 WeakPolarHBondContact O-CE 3.4Å; T493-K498 PolarHBondContact O-NZ 3.02Å
494S94.7Very high94.7Very high33 Ų3359 Ų5923%0.23128%0.283CS..SBendtrans-71.1166.6-17181.80000114.1K491 V496 Y497 K498K491-S494 WeakPolarHBondContact O-CB 3.22Å; K491-S494 PolarHBondContact O-N 3.42Å; K491-S494 PolarHBondContact O-OG 3.08Å; S494-V496 PolarHBondContact OG-N 2.86Å; S494-Y497 PolarHBondContact OG-N 2.75Å; S494-K498 WeakPolarHBondContact O-CD 3.28Å; S494-K498 VanDerWaalsContact O-CG 3.31Å; S494-K498 WeakPolarHBondContact O-CG 3.43Å; S494-K498 PolarHBondContact O-N 2.78Å
495K94.7Very high94.7Very high134 Ų13462.3 Ų62.358%0.58330%0.297SS*.Hα-helixtrans-60.3-50.9170.6-172.3-165.7178.3-162.80110E431 Y497 K498 T499E431-K495 IonicContact OE2-NZ 2.78Å; E431-K495 PolarHBondContact OE2-NZ 2.9Å; K495-Y497 PolarHBondContact O-N 3.16Å; K495-K498 PolarHBondContact O-N 3.46Å; K495-K498 VanDerWaalsContact O-N 3.13Å; K495-T499 HydrophobicContact CG-CG2 4.28Å; K495-T499 PolarHBondContact O-N 3.13Å; K495-T499 PolarHBondContact O-OG1 3.48Å
496V95.8Very high94.6Very high40 Ų4063.6 Ų63.624%0.24231%0.305CS..Hα-helixtrans-64.7-40.2-172.5-177.10000112.5P432 F433 N490 S494 K498 T499 C500P432-V496 HydrophobicContact CB-CG1 4.29Å; P432-V496 HydrophobicContact CB-CG2 4.49Å; P432-V496 HydrophobicContact CG-CG2 4.44Å; F433-V496 HydrophobicContact CZ-CG1 4.3Å; N490-V496 WeakPolarHBondContact OD1-CB 3.25Å; S494-V496 PolarHBondContact OG-N 2.86Å; V496-K498 VanDerWaalsContact C-N 3.29Å; V496-K498 PolarHBondContact O-N 2.72Å; V496-T499 WeakPolarHBondContact CA-OG1 3.4Å; V496-T499 PolarHBondContact O-N 3.49Å; V496-T499 PolarHBondContact O-OG1 3Å; V496-C500 WeakPolarHBondContact O-CB 3.44Å; V496-C500 PolarHBondContact O-N 3.35Å
497Y96.2Very high94.6Very high48 Ų4863.3 Ų63.319%0.18830%0.302CS..Hα-helixtrans-62-41.2174.8-167.8-77000111W487 N490 K491 K492 S494 K495 C500 T501W487-Y497 HydrophobicContact CB-CD2 4.28Å; W487-Y497 HydrophobicContact CB-CE2 3.75Å; W487-Y497 AromaticContact CD1-CD1 4Å; W487-Y497 AromaticContact CD1-CD2 3.59Å; W487-Y497 AromaticContact CD1-CE1 3.82Å; W487-Y497 AromaticContact CD1-CE2 3.4Å; W487-Y497 AromaticContact CD1-CG 3.88Å; W487-Y497 AromaticContact CD1-CZ 3.5Å; W487-Y497 HydrophobicContact CG-CD2 4.3Å; W487-Y497 AromaticContact CG-CE2 3.84Å; W487-Y497 HydrophobicContact CG-CE2 3.84Å; N490-Y497 HydrophobicContact CB-CD2 4.48Å; N490-Y497 VanDerWaalsContact O-CD2 3.24Å; N490-Y497 WeakPolarHBondContact O-CD2 3.47Å; K491-Y497 WeakPolarHBondContact O-CB 3.33Å; K492-Y497 HydrophobicContact CB-CD1 4.44Å; K492-Y497 HydrophobicContact CB-CE1 4.3Å; K492-Y497 HydrophobicContact CG-CD2 4.49Å; K492-Y497 HydrophobicContact CG-CE1 4.09Å; K492-Y497 HydrophobicContact CG-CE2 3.94Å; S494-Y497 PolarHBondContact OG-N 2.75Å; K495-Y497 PolarHBondContact O-N 3.16Å; Y497-C500 WeakPolarHBondContact O-CB 3.43Å; Y497-C500 PolarHBondContact O-N 3.02Å; Y497-T501 PolarHBondContact O-N 3.02Å; Y497-T501 PolarHBondContact O-OG1 3.36Å
498K95.1Very high94.6Very high106 Ų10662.8 Ų62.846%0.46130%0.302SS..Hα-helixtrans-72.2-34.9-179.5-69.1169180160.40112.9T493 S494 K495 V496 R502T493-K498 WeakPolarHBondContact O-CE 3.4Å; T493-K498 PolarHBondContact O-NZ 3.02Å; S494-K498 WeakPolarHBondContact O-CD 3.28Å; S494-K498 VanDerWaalsContact O-CG 3.31Å; S494-K498 WeakPolarHBondContact O-CG 3.43Å; S494-K498 PolarHBondContact O-N 2.78Å; K495-K498 PolarHBondContact O-N 3.46Å; K495-K498 VanDerWaalsContact O-N 3.13Å; V496-K498 VanDerWaalsContact C-N 3.29Å; V496-K498 PolarHBondContact O-N 2.72Å; K498-R502 PolarHBondContact O-N 3.42Å; K498-R502 PolarHBondContact O-NH1 3.37Å
499T96Very high94.7Very high4 Ų462 Ų623%0.02530%0.302CS..Hα-helixtrans-68.8-44171.354.90000110.1D429 K495 V496 T501 R502 L503D429-T499 HydrophobicContact CB-CG2 4.38Å; K495-T499 HydrophobicContact CG-CG2 4.28Å; K495-T499 PolarHBondContact O-N 3.13Å; K495-T499 PolarHBondContact O-OG1 3.48Å; V496-T499 WeakPolarHBondContact CA-OG1 3.4Å; V496-T499 PolarHBondContact O-N 3.49Å; V496-T499 PolarHBondContact O-OG1 3Å; T499-T501 VanDerWaalsContact C-N 3.33Å; T499-T501 PolarHBondContact O-N 3Å; T499-R502 PolarHBondContact O-N 3.1Å; T499-R502 VanDerWaalsContact O-N 3.14Å; T499-L503 WeakPolarHBondContact O-CB 3.18Å; T499-L503 PolarHBondContact O-N 2.83Å
500C97.4Very high94.6Very high0 Ų060.5 Ų60.50%030%0.297CS..Hα-helixtrans-52.9-46.2175-166.10000112.6F433 L483 A486 V496 Y497 R502 L503 A504F433-C500 HydrophobicContact CE1-CB 4.27Å; F433-C500 HydrophobicContact CZ-CB 3.72Å; L483-C500 PolarHBondContact O-SG 3.4Å; A486-C500 HydrophobicContact CB-CB 4.31Å; V496-C500 WeakPolarHBondContact O-CB 3.44Å; V496-C500 PolarHBondContact O-N 3.35Å; Y497-C500 WeakPolarHBondContact O-CB 3.43Å; Y497-C500 PolarHBondContact O-N 3.02Å; C500-R502 PolarHBondContact O-N 2.79Å; C500-L503 PolarHBondContact O-N 3.16Å; C500-A504 WeakPolarHBondContact O-CB 3.41Å; C500-A504 PolarHBondContact O-N 3.17Å
501T95.1Very high94.7Very high45 Ų4558.9 Ų58.928%0.27629%0.289SS..Hα-helixtrans-61.4-43.8177.7-61.40000112.9W487 Y497 T499 A504 E505W487-T501 PolarHBondContact NE1-OG1 3.31Å; Y497-T501 PolarHBondContact O-N 3.02Å; Y497-T501 PolarHBondContact O-OG1 3.36Å; T499-T501 VanDerWaalsContact C-N 3.33Å; T499-T501 PolarHBondContact O-N 3Å; T501-A504 PolarHBondContact O-N 3.14Å; T501-E505 WeakPolarHBondContact O-CG 3.48Å; T501-E505 PolarHBondContact O-N 2.96Å
502R95.8Very high94.9Very high96 Ų9651.6 Ų51.636%0.36226%0.258SS..Hα-helixtrans-69.2-33.9176.3-68.2-171-61-79.81.7112.8D429 K498 T499 C500 T506D429-R502 VanDerWaalsContact CG-NE 3.32Å; D429-R502 IonicContact OD1-CZ 3.98Å; D429-R502 IonicContact OD1-NE 3.14Å; D429-R502 PolarHBondContact OD1-NE 2.84Å; D429-R502 IonicContact OD1-NH2 3.27Å; D429-R502 PolarHBondContact OD1-NH2 3.43Å; D429-R502 IonicContact OD2-CZ 3.21Å; D429-R502 IonicContact OD2-NE 2.97Å; D429-R502 PolarHBondContact OD2-NE 2.87Å; D429-R502 IonicContact OD2-NH2 2.66Å; K498-R502 PolarHBondContact O-N 3.42Å; K498-R502 PolarHBondContact O-NH1 3.37Å; T499-R502 PolarHBondContact O-N 3.1Å; T499-R502 VanDerWaalsContact O-N 3.14Å; C500-R502 PolarHBondContact O-N 2.79Å; R502-T506 WeakPolarHBondContact O-CB 3.41Å; R502-T506 PolarHBondContact O-N 2.73Å; R502-T506 PolarHBondContact O-OG1 2.74Å
503L96.7Very high95.2Very high2 Ų249 Ų491%0.0125%0.254CS..Hα-helixtrans-68-40.1176.4-16268.1000111I424 E427 A430 F433 M482 L483 T499 C500 T506 F507I424-L503 HydrophobicContact CG2-CD1 3.82Å; I424-L503 HydrophobicContact CG2-CD2 4.46Å; I424-L503 HydrophobicContact CG2-CG 4.17Å; E427-L503 HydrophobicContact CB-CD1 4.09Å; A430-L503 HydrophobicContact CB-CD1 3.87Å; A430-L503 HydrophobicContact CB-CD2 4.36Å; F433-L503 HydrophobicContact CB-CD2 4.34Å; F433-L503 HydrophobicContact CD1-CD2 4.45Å; F433-L503 HydrophobicContact CD2-CD2 3.57Å; F433-L503 HydrophobicContact CE2-CD2 3.9Å; F433-L503 HydrophobicContact CG-CD2 3.88Å; F433-L503 HydrophobicContact CZ-CD2 4.47Å; M482-L503 HydrophobicContact CE-CD2 4.39Å; L483-L503 HydrophobicContact CD2-CB 4.32Å; L483-L503 HydrophobicContact CD2-CD2 4.33Å; T499-L503 WeakPolarHBondContact O-CB 3.18Å; T499-L503 PolarHBondContact O-N 2.83Å; C500-L503 PolarHBondContact O-N 3.16Å; L503-T506 PolarHBondContact O-N 2.88Å; L503-F507 WeakPolarHBondContact O-CB 3.26Å; L503-F507 PolarHBondContact O-N 3.25Å
504A95.5Very high95.5Very high4 Ų444.9 Ų44.93%0.03323%0.228CC..Hα-helixtrans-63.7-46.9173.500000112.4W480 L483 W487 C500 T501 T506 F507 E508W480-A504 HydrophobicContact CZ3-CB 4.38Å; L483-A504 HydrophobicContact CD1-CB 3.84Å; L483-A504 HydrophobicContact CD2-CB 4.2Å; W487-A504 HydrophobicContact CH2-CB 3.56Å; W487-A504 HydrophobicContact CZ2-CB 3.6Å; C500-A504 WeakPolarHBondContact O-CB 3.41Å; C500-A504 PolarHBondContact O-N 3.17Å; T501-A504 PolarHBondContact O-N 3.14Å; A504-T506 PolarHBondContact O-N 3.22Å; A504-F507 PolarHBondContact O-N 2.9Å; A504-E508 PolarHBondContact O-N 2.8Å
505E94.5Very high95.5Very high116 Ų11643.3 Ų43.354%0.54222%0.217SC..Hα-helixtrans-56.1-41.3173.4-73.7168.1-173.700111.3T501 T509T501-E505 WeakPolarHBondContact O-CG 3.48Å; T501-E505 PolarHBondContact O-N 2.96Å; E505-T509 WeakPolarHBondContact O-CG2 3.31Å; E505-T509 PolarHBondContact O-N 2.98Å
506T94.4Very high95.5Very high38 Ų3841.8 Ų41.823%0.23321%0.212CC..Hα-helixtrans-69.4-44.9178.1-54.30000111.5E427 R502 L503 A504 E508 T509 I510E427-T506 HydrophobicContact CG-CG2 3.99Å; R502-T506 WeakPolarHBondContact O-CB 3.41Å; R502-T506 PolarHBondContact O-N 2.73Å; R502-T506 PolarHBondContact O-OG1 2.74Å; L503-T506 PolarHBondContact O-N 2.88Å; A504-T506 PolarHBondContact O-N 3.22Å; T506-E508 PolarHBondContact O-N 2.82Å; T506-T509 PolarHBondContact O-N 3.36Å; T506-T509 PolarHBondContact O-OG1 3.27Å; T506-I510 HydrophobicContact CG2-CD1 3.91Å; T506-I510 WeakPolarHBondContact O-CD1 3.23Å; T506-I510 WeakPolarHBondContact O-CG1 3.49Å; T506-I510 PolarHBondContact O-N 3.06Å
507F96.1Very high95.4Very high2 Ų243.3 Ų43.31%0.00923%0.225CC..Hα-helixtrans-56.3-49.1174.9171.6-127.6000111.8V420 I424 V476 F479 W480 L483 L503 A504 T509 I510 I511V420-F507 HydrophobicContact CG1-CD2 4.49Å; V420-F507 HydrophobicContact CG1-CE2 4.45Å; I424-F507 HydrophobicContact CD1-CB 4.19Å; I424-F507 HydrophobicContact CD1-CD2 3.6Å; I424-F507 HydrophobicContact CD1-CE2 4.45Å; I424-F507 HydrophobicContact CD1-CG 4.31Å; V476-F507 HydrophobicContact CG1-CZ 4.41Å; F479-F507 HydrophobicContact CB-CD1 4.43Å; F479-F507 HydrophobicContact CB-CE1 3.66Å; F479-F507 HydrophobicContact CB-CE2 3.82Å; F479-F507 HydrophobicContact CB-CZ 3.3Å; F479-F507 HydrophobicContact CD1-CD2 4.19Å; F479-F507 AromaticContact CD1-CE2 3.98Å; F479-F507 HydrophobicContact CD1-CE2 3.98Å; F479-F507 HydrophobicContact CD1-CZ 4.33Å; F479-F507 AromaticContact CD2-CE2 3.8Å; F479-F507 HydrophobicContact CD2-CE2 3.8Å; F479-F507 HydrophobicContact CD2-CZ 4.02Å; F479-F507 HydrophobicContact CE1-CE2 4.45Å; F479-F507 HydrophobicContact CE2-CE2 4.3Å; F479-F507 HydrophobicContact CG-CD2 4.29Å; F479-F507 HydrophobicContact CG-CE1 4.35Å; F479-F507 AromaticContact CG-CE2 3.62Å; F479-F507 HydrophobicContact CG-CE2 3.62Å; F479-F507 AromaticContact CG-CZ 3.68Å; F479-F507 HydrophobicContact CG-CZ 3.68Å; W480-F507 HydrophobicContact CD2-CE1 4.12Å; W480-F507 AromaticContact CE2-CE1 3.66Å; W480-F507 HydrophobicContact CG-CE1 4.35Å; W480-F507 HydrophobicContact CH2-CD1 4.46Å; W480-F507 HydrophobicContact CZ2-CD1 4.07Å; W480-F507 HydrophobicContact CZ2-CE1 4Å; W480-F507 AromaticContact NE1-CE1 3.63Å; L483-F507 HydrophobicContact CD1-CD1 3.94Å; L503-F507 WeakPolarHBondContact O-CB 3.26Å; L503-F507 PolarHBondContact O-N 3.25Å; A504-F507 PolarHBondContact O-N 2.9Å; F507-T509 VanDerWaalsContact C-N 3.26Å; F507-T509 PolarHBondContact O-N 2.7Å; F507-I510 PolarHBondContact O-N 2.73Å; F507-I511 HydrophobicContact CD2-CB 3.97Å; F507-I511 HydrophobicContact CD2-CG2 4.19Å; F507-I511 HydrophobicContact CE1-CG2 4.32Å; F507-I511 HydrophobicContact CE2-CB 3.58Å; F507-I511 HydrophobicContact CE2-CD1 4.15Å; F507-I511 HydrophobicContact CE2-CG1 3.78Å; F507-I511 HydrophobicContact CE2-CG2 3.97Å; F507-I511 HydrophobicContact CG-CG2 4.48Å; F507-I511 HydrophobicContact CZ-CB 4.01Å; F507-I511 HydrophobicContact CZ-CG1 3.92Å; F507-I511 HydrophobicContact CZ-CG2 4.03Å; F507-I511 WeakPolarHBondContact O-CG2 3.46Å; F507-I511 PolarHBondContact O-N 3.43Å
508E93.9Very high95.3Very high52 Ų5241.1 Ų41.124%0.24322%0.216CC..Hα-helixtrans-52.6-42.4177.6-81.2-168.4-145.700112.6W480 A504 T506 I510 D512 R524W480-E508 HydrophobicContact CH2-CG 3.86Å; W480-E508 HydrophobicContact CZ2-CG 3.99Å; A504-E508 PolarHBondContact O-N 2.8Å; T506-E508 PolarHBondContact O-N 2.82Å; E508-I510 VanDerWaalsContact C-N 3.28Å; E508-I510 PolarHBondContact O-N 3.46Å; E508-D512 PolarHBondContact O-N 2.86Å; E508-R524 HydrophobicContact CG-CG 4.12Å; E508-R524 VanDerWaalsContact OE2-CD 3.3Å; E508-R524 WeakPolarHBondContact OE2-CD 3.29Å; E508-R524 IonicContact OE2-CZ 3.81Å; E508-R524 IonicContact OE2-NE 2.75Å; E508-R524 IonicContact OE2-NH1 3.29Å; E508-R524 PolarHBondContact OE2-NH1 3.1Å
509T94.3Very high95.3Very high93 Ų9336.2 Ų36.257%0.57120%0.196SC*.Hα-helixtrans-70.4-22.3179.866.80000114E505 T506 F507E505-T509 WeakPolarHBondContact O-CG2 3.31Å; E505-T509 PolarHBondContact O-N 2.98Å; T506-T509 PolarHBondContact O-N 3.36Å; T506-T509 PolarHBondContact O-OG1 3.27Å; F507-T509 VanDerWaalsContact C-N 3.26Å; F507-T509 PolarHBondContact O-N 2.7Å
510I95.8Very high95.2Very high20 Ų2036.3 Ų36.310%0.10320%0.196CC..Hα-helixtrans-92.9-40.5-178.7-61.8163.3000110.7V420 K423 I424 T506 F507 E508 V514V420-I510 HydrophobicContact CB-CG2 4.26Å; V420-I510 HydrophobicContact CG1-CG2 3.85Å; V420-I510 HydrophobicContact CG2-CG2 3.96Å; K423-I510 HydrophobicContact CD-CD1 3.7Å; K423-I510 HydrophobicContact CD-CG1 4.13Å; K423-I510 HydrophobicContact CG-CD1 4.05Å; I424-I510 HydrophobicContact CG1-CD1 3.97Å; T506-I510 HydrophobicContact CG2-CD1 3.91Å; T506-I510 WeakPolarHBondContact O-CD1 3.23Å; T506-I510 WeakPolarHBondContact O-CG1 3.49Å; T506-I510 PolarHBondContact O-N 3.06Å; F507-I510 PolarHBondContact O-N 2.73Å; E508-I510 VanDerWaalsContact C-N 3.28Å; E508-I510 PolarHBondContact O-N 3.46Å; I510-V514 WeakPolarHBondContact O-CG2 3.32Å
511I96.1Very high95.1Very high0 Ų037 Ų370%020%0.201CC..Hα-helixtrans-79-31.3-172.6-166.258.4000113.7F417 V476 F507 V514 M515F417-I511 HydrophobicContact CD1-CD1 4.26Å; F417-I511 HydrophobicContact CE1-CD1 3.59Å; F417-I511 HydrophobicContact CZ-CD1 4.27Å; V476-I511 HydrophobicContact CG2-CD1 3.72Å; V476-I511 HydrophobicContact CG2-CG1 3.75Å; F507-I511 HydrophobicContact CD2-CB 3.97Å; F507-I511 HydrophobicContact CD2-CG2 4.19Å; F507-I511 HydrophobicContact CE1-CG2 4.32Å; F507-I511 HydrophobicContact CE2-CB 3.58Å; F507-I511 HydrophobicContact CE2-CD1 4.15Å; F507-I511 HydrophobicContact CE2-CG1 3.78Å; F507-I511 HydrophobicContact CE2-CG2 3.97Å; F507-I511 HydrophobicContact CG-CG2 4.48Å; F507-I511 HydrophobicContact CZ-CB 4.01Å; F507-I511 HydrophobicContact CZ-CG1 3.92Å; F507-I511 HydrophobicContact CZ-CG2 4.03Å; F507-I511 WeakPolarHBondContact O-CG2 3.46Å; F507-I511 PolarHBondContact O-N 3.43Å; I511-V514 HydrophobicContact CD1-CB 4.46Å; I511-V514 PolarHBondContact O-N 3.13Å; I511-M515 HydrophobicContact CD1-CG 3.97Å; I511-M515 HydrophobicContact CG1-CG 3.93Å; I511-M515 PolarHBondContact O-N 3.23Å
512D94Very high95.1Very high16 Ų1635 Ų359%0.08619%0.188CC..Hα-helixtrans-57.9-52.1179.9-110.16.6000112.7E508 V514 M515 Q516 C522 G523 R524E508-D512 PolarHBondContact O-N 2.86Å; D512-V514 VanDerWaalsContact C-N 3.32Å; D512-V514 PolarHBondContact O-N 3.41Å; D512-M515 PolarHBondContact O-N 2.81Å; D512-Q516 WeakPolarHBondContact O-CB 3.29Å; D512-Q516 VanDerWaalsContact O-CG 3.24Å; D512-Q516 WeakPolarHBondContact O-CG 3.02Å; D512-Q516 PolarHBondContact O-N 2.87Å; D512-C522 VanDerWaalsContact OD1-CA 3.27Å; D512-C522 WeakPolarHBondContact OD1-CA 3.32Å; D512-C522 WeakPolarHBondContact OD1-CB 3.46Å; D512-G523 PolarHBondContact OD1-N 3.44Å; D512-R524 WeakPolarHBondContact OD1-CG 3.36Å; D512-R524 IonicContact OD1-NE 3.73Å; D512-R524 IonicContact OD2-CZ 2.72Å; D512-R524 IonicContact OD2-NE 3.12Å; D512-R524 PolarHBondContact OD2-NE 2.9Å; D512-R524 IonicContact OD2-NH2 2.78Å; D512-R524 PolarHBondContact OD2-NH2 2.81Å
513P96Very high94.8Very high71 Ų7130.4 Ų30.446%0.46117%0.171SC..Hα-helixtrans-61-37.8176.5-25.235.5000113.3Q516 S517P513-Q516 PolarHBondContact O-N 2.78Å; P513-S517 WeakPolarHBondContact O-CB 3.39Å; P513-S517 PolarHBondContact O-N 2.98Å
514V96.7Very high94.6Very high23 Ų2333.8 Ų33.814%0.13918%0.184CC..Hα-helixtrans-64.7-54178.6174.60000110.3H416 F417 V420 I510 I511 D512 Q516 S517 L518H416-V514 HydrophobicContact CB-CG1 4.13Å; F417-V514 HydrophobicContact CE2-CG1 4.5Å; V420-V514 HydrophobicContact CG2-CG2 3.88Å; I510-V514 WeakPolarHBondContact O-CG2 3.32Å; I511-V514 HydrophobicContact CD1-CB 4.46Å; I511-V514 PolarHBondContact O-N 3.13Å; D512-V514 VanDerWaalsContact C-N 3.32Å; D512-V514 PolarHBondContact O-N 3.41Å; V514-Q516 VanDerWaalsContact C-N 3.27Å; V514-Q516 PolarHBondContact O-N 3.41Å; V514-S517 PolarHBondContact O-N 2.78Å; V514-S517 VanDerWaalsContact O-N 3.14Å; V514-S517 PolarHBondContact O-OG 3.24Å; V514-L518 HydrophobicContact CG1-CD1 4.06Å; V514-L518 WeakPolarHBondContact O-CG 3.49Å; V514-L518 PolarHBondContact O-N 2.85Å
515M96.4Very high94.3Very high0 Ų035 Ų350%019%0.189CC..Hα-helixtrans-62-33.8178.1-71.4-65.6-86.800112.6F417 P472 W473 V476 I511 D512 L518 G519 F520F417-M515 HydrophobicContact CZ-SD 3.87Å; P472-M515 HydrophobicContact CB-CE 4.11Å; P472-M515 HydrophobicContact CB-SD 3.74Å; W473-M515 HydrophobicContact CD2-CE 3.61Å; W473-M515 HydrophobicContact CE3-CE 4.12Å; W473-M515 HydrophobicContact CG-CE 3.96Å; W473-M515 HydrophobicContact CH2-CE 4.16Å; W473-M515 HydrophobicContact CZ2-CE 3.67Å; W473-M515 HydrophobicContact CZ3-CE 4.37Å; V476-M515 HydrophobicContact CG2-CE 4.08Å; V476-M515 HydrophobicContact CG2-CG 4.19Å; V476-M515 HydrophobicContact CG2-SD 4.02Å; I511-M515 HydrophobicContact CD1-CG 3.97Å; I511-M515 HydrophobicContact CG1-CG 3.93Å; I511-M515 PolarHBondContact O-N 3.23Å; D512-M515 PolarHBondContact O-N 2.81Å; M515-L518 PolarHBondContact O-N 2.95Å; M515-L518 HydrophobicContact SD-CD1 4.23Å; M515-G519 PolarHBondContact O-N 2.96Å; M515-F520 HydrophobicContact CB-CB 4.35Å; M515-F520 HydrophobicContact CB-CD2 4.43Å; M515-F520 HydrophobicContact CE-CB 4.43Å; M515-F520 HydrophobicContact CE-CD2 3.59Å; M515-F520 HydrophobicContact CE-CE2 3.83Å; M515-F520 HydrophobicContact CE-CG 3.98Å; M515-F520 HydrophobicContact CE-CZ 4.37Å; M515-F520 WeakPolarHBondContact O-CB 3.24Å; M515-F520 WeakPolarHBondContact O-CD2 3.43Å; M515-F520 PolarHBondContact O-N 3.34Å; M515-F520 HydrophobicContact SD-CD2 3.78Å; M515-F520 HydrophobicContact SD-CE2 4.01Å
516Q94.6Very high94.2Very high102 Ų10231.8 Ų31.848%0.47717%0.172SC..Hα-helixtrans-67.3-43.6173.3-75.5172.9-3.400112.5D512 P513 V514 L518 G519 C521D512-Q516 WeakPolarHBondContact O-CB 3.29Å; D512-Q516 VanDerWaalsContact O-CG 3.24Å; D512-Q516 WeakPolarHBondContact O-CG 3.02Å; D512-Q516 PolarHBondContact O-N 2.87Å; P513-Q516 PolarHBondContact O-N 2.78Å; V514-Q516 VanDerWaalsContact C-N 3.27Å; V514-Q516 PolarHBondContact O-N 3.41Å; Q516-L518 VanDerWaalsContact C-N 3.26Å; Q516-L518 PolarHBondContact O-N 3.48Å; Q516-G519 WeakPolarHBondContact O-CA 3.36Å; Q516-G519 PolarHBondContact O-N 3.32Å; Q516-C521 WeakPolarHBondContact CG-O 3.27Å; Q516-C521 PolarHBondContact NE2-O 2.75Å
517S93.9Very high94Very high72 Ų7232.8 Ų32.850%0.50317%0.172SC..Hα-helixtrans-59.6-35.7174.174.10000113P513 V514 G519P513-S517 WeakPolarHBondContact O-CB 3.39Å; P513-S517 PolarHBondContact O-N 2.98Å; V514-S517 PolarHBondContact O-N 2.78Å; V514-S517 VanDerWaalsContact O-N 3.14Å; V514-S517 PolarHBondContact O-OG 3.24Å; S517-G519 PolarHBondContact O-N 3.29Å
518L94.1Very high93.8Very high2 Ų233.7 Ų33.71%0.0118%0.175CC..THydrogen-bonded Turntrans-73.4-9175.8-64.5170.5000112.7R406 W408 H416 F417 P472 V514 M515 Q516 F520 R618R406-L518 PolarHBondContact NH1-O 2.93Å; W408-L518 HydrophobicContact CH2-CB 3.94Å; W408-L518 WeakPolarHBondContact CH2-O 3.41Å; W408-L518 HydrophobicContact CZ3-CB 4.05Å; W408-L518 HydrophobicContact CZ3-CD2 3.89Å; W408-L518 HydrophobicContact CZ3-CG 4.44Å; H416-L518 HydrophobicContact CB-CD1 4.44Å; H416-L518 HydrophobicContact CB-CD2 4.31Å; F417-L518 HydrophobicContact CE2-CD1 3.66Å; F417-L518 HydrophobicContact CZ-CD1 4.18Å; P472-L518 HydrophobicContact CB-CD1 4.19Å; P472-L518 HydrophobicContact CG-CD1 4.17Å; V514-L518 HydrophobicContact CG1-CD1 4.06Å; V514-L518 WeakPolarHBondContact O-CG 3.49Å; V514-L518 PolarHBondContact O-N 2.85Å; M515-L518 PolarHBondContact O-N 2.95Å; M515-L518 HydrophobicContact SD-CD1 4.23Å; Q516-L518 VanDerWaalsContact C-N 3.26Å; Q516-L518 PolarHBondContact O-N 3.48Å; L518-F520 HydrophobicContact CB-CD2 3.99Å; L518-F520 HydrophobicContact CB-CE2 4.12Å; L518-R618 VanDerWaalsContact O-CZ 3.25Å; L518-R618 PolarHBondContact O-NE 2.8Å; L518-R618 PolarHBondContact O-NH2 2.7Å
519G93.3Very high93.2Very high3 Ų333.5 Ų33.53%0.03117%0.174CC..THydrogen-bonded Turntrans94.117176.200000115.3M515 Q516 S517 R618 W620M515-G519 PolarHBondContact O-N 2.96Å; Q516-G519 WeakPolarHBondContact O-CA 3.36Å; Q516-G519 PolarHBondContact O-N 3.32Å; S517-G519 PolarHBondContact O-N 3.29Å; G519-R618 WeakPolarHBondContact O-CD 3.42Å; G519-W620 WeakPolarHBondContact O-CZ2 3.43Å; G519-W620 PolarHBondContact O-NE1 2.83Å; G519-W620 VanDerWaalsContact O-NE1 3.17Å
520F95.6Very high92.5Very high5 Ų529.2 Ų29.22%0.02215%0.148CC..SBendtrans-87.5176.6167.2-57.2-79.2000111.4W408 P472 W473 M515 L518 R618 K619W408-F520 HydrophobicContact CH2-CD2 4.5Å; W408-F520 AromaticContact CH2-CE2 3.59Å; W408-F520 HydrophobicContact CH2-CE2 3.59Å; W408-F520 AromaticContact CH2-CZ 3.88Å; W408-F520 HydrophobicContact CH2-CZ 3.88Å; W408-F520 HydrophobicContact CZ2-CE1 4.26Å; W408-F520 AromaticContact CZ2-CE2 3.55Å; W408-F520 HydrophobicContact CZ2-CE2 3.55Å; W408-F520 AromaticContact CZ2-CZ 3.31Å; W408-F520 HydrophobicContact CZ2-CZ 3.31Å; P472-F520 HydrophobicContact CB-CE2 3.6Å; P472-F520 HydrophobicContact CB-CZ 4.01Å; P472-F520 HydrophobicContact CG-CE2 3.74Å; P472-F520 HydrophobicContact CG-CZ 4.05Å; W473-F520 AromaticContact CD1-CE1 3.56Å; W473-F520 AromaticContact CD1-CZ 3.83Å; W473-F520 AromaticContact NE1-CD1 3.33Å; W473-F520 VanDerWaalsContact NE1-CD1 3.33Å; W473-F520 AromaticContact NE1-CE1 3.29Å; W473-F520 VanDerWaalsContact NE1-CE1 3.29Å; W473-F520 AromaticContact NE1-CG 3.92Å; W473-F520 AromaticContact NE1-CZ 3.87Å; M515-F520 HydrophobicContact CB-CB 4.35Å; M515-F520 HydrophobicContact CB-CD2 4.43Å; M515-F520 HydrophobicContact CE-CB 4.43Å; M515-F520 HydrophobicContact CE-CD2 3.59Å; M515-F520 HydrophobicContact CE-CE2 3.83Å; M515-F520 HydrophobicContact CE-CG 3.98Å; M515-F520 HydrophobicContact CE-CZ 4.37Å; M515-F520 WeakPolarHBondContact O-CB 3.24Å; M515-F520 WeakPolarHBondContact O-CD2 3.43Å; M515-F520 PolarHBondContact O-N 3.34Å; M515-F520 HydrophobicContact SD-CD2 3.78Å; M515-F520 HydrophobicContact SD-CE2 4.01Å; L518-F520 HydrophobicContact CB-CD2 3.99Å; L518-F520 HydrophobicContact CB-CE2 4.12Å; F520-R618 HydrophobicContact CD1-CB 3.87Å; F520-R618 HydrophobicContact CD1-CG 4.18Å; F520-R618 HydrophobicContact CE1-CB 3.78Å; F520-R618 HydrophobicContact CE1-CG 3.87Å; F520-R618 HydrophobicContact CZ-CG 4.39Å; F520-K619 VanDerWaalsContact CD1-O 3.29Å; F520-K619 WeakPolarHBondContact CD1-O 3.39Å
521C94.8Very high91.6Very high15 Ų1530.7 Ų30.710%0.10116%0.159CC..SBendtrans-76-35.817746.70000114.4Q516 W620 H621 C624Q516-C521 WeakPolarHBondContact CG-O 3.27Å; Q516-C521 PolarHBondContact NE2-O 2.75Å; C521-W620 HydrophobicContact CB-CD2 3.78Å; C521-W620 HydrophobicContact CB-CE3 3.58Å; C521-W620 HydrophobicContact CB-CG 4.31Å; C521-W620 HydrophobicContact CB-CH2 4.3Å; C521-W620 HydrophobicContact CB-CZ2 4.49Å; C521-W620 HydrophobicContact CB-CZ3 3.86Å; C521-H621 PolarHBondContact SG-N 3.19Å; C521-C624 HydrophobicContact CB-CB 3.56Å
522C94.4Very high90.8Very high2 Ų232.7 Ų32.71%0.01417%0.171CC..  trans178.7170.2-167.939.80000108.3W473 D512 H621 C624W473-C522 VanDerWaalsContact CH2-O 3.32Å; W473-C522 WeakPolarHBondContact CH2-O 3.26Å; W473-C522 WeakPolarHBondContact CZ2-O 3.39Å; D512-C522 VanDerWaalsContact OD1-CA 3.27Å; D512-C522 WeakPolarHBondContact OD1-CA 3.32Å; D512-C522 WeakPolarHBondContact OD1-CB 3.46Å; C522-H621 PolarHBondContact SG-ND1 3.36Å; C522-H621 VanDerWaalsContact SG-ND1 3.41Å; C522-C624 VanDerWaalsContact SG-SG 3.6Å
523G90.8Very high90.2Very high0 Ų033.8 Ų33.80%018%0.177CC..SBendtrans-115.53.7175.300000115V476 W480 D512V476-G523 WeakPolarHBondContact CG1-O 3.3Å; W480-G523 PolarHBondContact NE1-O 3.36Å; D512-G523 PolarHBondContact OD1-N 3.44Å
524R92.1Very high89.6Confident74 Ų7433.8 Ų33.828%0.27918%0.176SC..  trans-76153178-49.1-178-163-120.6-6.1112.4E508 D512 Y526 H621E508-R524 HydrophobicContact CG-CG 4.12Å; E508-R524 VanDerWaalsContact OE2-CD 3.3Å; E508-R524 WeakPolarHBondContact OE2-CD 3.29Å; E508-R524 IonicContact OE2-CZ 3.81Å; E508-R524 IonicContact OE2-NE 2.75Å; E508-R524 IonicContact OE2-NH1 3.29Å; E508-R524 PolarHBondContact OE2-NH1 3.1Å; D512-R524 WeakPolarHBondContact OD1-CG 3.36Å; D512-R524 IonicContact OD1-NE 3.73Å; D512-R524 IonicContact OD2-CZ 2.72Å; D512-R524 IonicContact OD2-NE 3.12Å; D512-R524 PolarHBondContact OD2-NE 2.9Å; D512-R524 IonicContact OD2-NH2 2.78Å; D512-R524 PolarHBondContact OD2-NH2 2.81Å; R524-Y526 HydrophobicContact CB-CD2 4.31Å; R524-Y526 HydrophobicContact CB-CE2 3.89Å; R524-H621 PolarHBondContact O-CE1 3.03Å; R524-H621 PolarHBondContact O-NE2 3.02Å
525E89Confident89.2Confident29 Ų2932.7 Ų32.714%0.13617%0.169CC..  trans-90.2114.5166.1-168.5172.4-126.900110.3W480 N484 Y527 K607W480-E525 HydrophobicContact CD2-CB 3.89Å; W480-E525 HydrophobicContact CE3-CB 4.44Å; W480-E525 HydrophobicContact CG-CB 4.18Å; W480-E525 HydrophobicContact CZ2-CB 4.13Å; N484-E525 PolarHBondContact ND2-OE2 3.39Å; E525-Y527 HydrophobicContact CB-CE2 4.26Å; E525-Y527 HydrophobicContact CG-CD2 4.28Å; E525-Y527 HydrophobicContact CG-CE2 3.52Å; E525-Y527 PolarHBondContact OE1-OH 3.34Å; E525-Y527 WeakPolarHBondContact OE2-CE2 3.49Å; E525-Y527 VanDerWaalsContact OE2-CZ 3.26Å; E525-Y527 PolarHBondContact OE2-OH 3.4Å; E525-K607 WeakPolarHBondContact OE1-CE 3.47Å; E525-K607 IonicContact OE1-NZ 3.3Å; E525-K607 PolarHBondContact OE1-NZ 3.05Å
526Y92.1Very high88.7Confident49 Ų4934.6 Ų34.619%0.19218%0.179CC..  trans-98.6134.8179.6-72.8-83.6000112.5R524 K607 E608 H621R524-Y526 HydrophobicContact CB-CD2 4.31Å; R524-Y526 HydrophobicContact CB-CE2 3.89Å; Y526-K607 WeakPolarHBondContact O-CA 3.27Å; Y526-E608 VanDerWaalsContact CB-CD 3.49Å; Y526-E608 PolarHBondContact O-N 3.42Å; Y526-H621 AromaticContact CD2-CE1 3.7Å; Y526-H621 AromaticContact CD2-ND1 3.93Å; Y526-H621 AromaticContact CD2-NE2 3.77Å
527Y91.1Very high88.3Confident58 Ų5830.1 Ų30.123%0.22716%0.159CC..BIsolated β-bridgetrans-123.7136.6177.7-69.8-91.8000111.9E525 K605 E606 K607 R1024E525-Y527 HydrophobicContact CB-CE2 4.26Å; E525-Y527 HydrophobicContact CG-CD2 4.28Å; E525-Y527 HydrophobicContact CG-CE2 3.52Å; E525-Y527 PolarHBondContact OE1-OH 3.34Å; E525-Y527 WeakPolarHBondContact OE2-CE2 3.49Å; E525-Y527 VanDerWaalsContact OE2-CZ 3.26Å; E525-Y527 PolarHBondContact OE2-OH 3.4Å; Y527-K605 HydrophobicContact CD1-CB 3.52Å; Y527-K605 HydrophobicContact CD1-CD 4.11Å; Y527-K605 HydrophobicContact CE1-CB 4.27Å; Y527-K605 HydrophobicContact CG-CB 4.11Å; Y527-K605 HydrophobicContact CG-CD 4.08Å; Y527-E606 CarbonylContact C-O 3.53Å; Y527-E606 VanDerWaalsContact CA-O 3.29Å; Y527-E606 WeakPolarHBondContact CA-O 3.47Å; Y527-K607 HydrophobicContact CD1-CG 3.94Å; Y527-K607 HydrophobicContact CE1-CD 4.35Å; Y527-K607 HydrophobicContact CE1-CG 3.51Å; Y527-K607 WeakPolarHBondContact OH-CE 3.38Å; Y527-R1024 PolarHBondContact O-NH1 2.94Å; Y527-R1024 PolarHBondContact O-NH2 3.46Å
528Y90.1Very high87.4Confident21 Ų2130.1 Ų30.18%0.08216%0.157CC..PPolyproline II helixtrans-64.6149.5165.2-66.5-70.1000110.7E606 E608 H1016 E1018Y528-E606 HydrophobicContact CD2-CB 4.4Å; Y528-E606 PolarHBondContact N-O 3.24Å; Y528-E608 HydrophobicContact CD2-CG 4.39Å; Y528-E608 HydrophobicContact CE1-CG 4.29Å; Y528-E608 HydrophobicContact CE2-CB 4.46Å; Y528-E608 HydrophobicContact CE2-CG 3.95Å; Y528-H1016 HydrophobicContact CD1-CB 3.74Å; Y528-H1016 HydrophobicContact CD2-CB 4.25Å; Y528-H1016 HydrophobicContact CE1-CB 3.61Å; Y528-H1016 VanDerWaalsContact CE1-O 3.27Å; Y528-H1016 WeakPolarHBondContact CE1-O 3.3Å; Y528-H1016 HydrophobicContact CE2-CB 4.13Å; Y528-H1016 HydrophobicContact CG-CB 4.06Å; Y528-E1018 WeakPolarHBondContact CA-OE1 3.47Å
529Q81.3Confident86.4Confident48 Ų4835.9 Ų35.922%0.22418%0.182CC..PPolyproline II helixtrans-81.2137.8178.6-62.2-16073.500110.7M815 E1018Q529-M815 HydrophobicContact CB-CE 3.91Å; Q529-M815 HydrophobicContact CB-CG 4.22Å; Q529-M815 HydrophobicContact CB-SD 3.91Å; Q529-M815 HydrophobicContact CG-CG 4.4Å; Q529-M815 HydrophobicContact CG-SD 4.36Å; Q529-E1018 PolarHBondContact N-OE1 3.41Å
530P81.3Confident85.4Confident4 Ų441.2 Ų41.23%0.02621%0.205CC..PPolyproline II helixtrans-55.5124.8173.8-19.226.1000110.1R545 I604 K605P530-R545 HydrophobicContact CB-CG 4.31Å; P530-R545 HydrophobicContact CG-CG 4.11Å; P530-I604 WeakPolarHBondContact CG-O 3.48Å; P530-K605 HydrophobicContact CG-CG 4.45Å
531P76.8Confident84.7Confident51 Ų5141.6 Ų41.633%0.33121%0.207SC..PPolyproline II helixtrans-69.3151.1-177.827.8-34.3000111.3L533 N602P531-L533 HydrophobicContact CG-CD2 4.17Å; P531-L533 PolarHBondContact O-N 3.47Å; P531-N602 PolarHBondContact O-ND2 3.34Å
532T79.1Confident84Confident41 Ų4144.2 Ų44.225%0.25222%0.223SC..PPolyproline II helixtrans-64.6121.8167.7-54.60000109T542 Y544 G808T532-T542 HydrophobicContact CG2-CG2 3.2Å; T532-Y544 HydrophobicContact CG2-CD1 4.41Å; T532-G808 PolarHBondContact OG1-O 3.3Å
533L81.9Confident83.6Confident40 Ų4044.3 Ų44.321%0.20922%0.223CC..EExtended strand (participates in β ladder)trans-97.1156.5-178.5-53.1174.8000110.8P531 I543 Y549P531-L533 HydrophobicContact CG-CD2 4.17Å; P531-L533 PolarHBondContact O-N 3.47Å; L533-I543 HydrophobicContact CB-CB 3.97Å; L533-I543 HydrophobicContact CB-CD1 4.23Å; L533-I543 HydrophobicContact CB-CG2 4.27Å; L533-I543 PolarHBondContact N-O 3.05Å; L533-I543 WeakPolarHBondContact O-CB 3.27Å; L533-I543 PolarHBondContact O-N 2.88Å; L533-Y549 HydrophobicContact CD1-CD2 4.4Å; L533-Y549 HydrophobicContact CD1-CE1 4.12Å; L533-Y549 HydrophobicContact CD1-CE2 3.82Å
534T81.5Confident83.2Confident70 Ų7049.4 Ų49.443%0.42924%0.243SC..EExtended strand (participates in β ladder)trans-105.6124.4178.9-53.10000110.6L536 T567T534-L536 PolarHBondContact O-N 2.95Å; T534-T567 PolarHBondContact O-OG1 3.45Å
535C88.2Confident82.5Confident0 Ų051 Ų510%025%0.249CC..  trans-70.6107.6173.91780000110.6T537 C541 I543 T567 C569C535-T537 PolarHBondContact O-N 3.49Å; C535-T537 PolarHBondContact SG-OG1 3.27Å; C535-C541 HydrophobicContact CB-CB 3.88Å; C535-C541 WeakPolarHBondContact CB-O 3.27Å; C535-C541 PolarHBondContact N-O 3.47Å; C535-I543 HydrophobicContact CB-CD1 4.02Å; C535-I543 HydrophobicContact CB-CG1 4.18Å; C535-T567 CarbonylContact C-O 3.58Å; C535-T567 WeakPolarHBondContact CA-O 3.26Å; C535-C569 HydrophobicContact CB-CB 4.11Å; C535-C569 PolarHBondContact SG-N 3.04Å
536L87.2Confident82.2Confident40 Ų4052.3 Ų52.321%0.20926%0.258CS..  trans-76.641-177.7-57.2177.5000113.2T534 E563 Y566 T567 L582 D583T534-L536 PolarHBondContact O-N 2.95Å; L536-E563 VanDerWaalsContact CD1-OE2 3.31Å; L536-E563 WeakPolarHBondContact CD1-OE2 3.27Å; L536-Y566 HydrophobicContact CB-CD1 4.31Å; L536-Y566 HydrophobicContact CD1-CD1 3.53Å; L536-Y566 HydrophobicContact CD1-CE1 4.13Å; L536-Y566 HydrophobicContact CD1-CG 4.31Å; L536-T567 PolarHBondContact N-O 2.79Å; L536-L582 CarbonylContact O-C 3.56Å; L536-L582 VanDerWaalsContact O-CA 3.32Å; L536-L582 WeakPolarHBondContact O-CA 3.32Å; L536-D583 PolarHBondContact O-N 2.93Å
537T85.7Confident82.1Confident8 Ų851.6 Ų51.65%0.04926%0.262CS..SBendtrans-103.4161.8164.763.10000108.6C535 K539 F540 V568 C572 I580C535-T537 PolarHBondContact O-N 3.49Å; C535-T537 PolarHBondContact SG-OG1 3.27Å; T537-K539 PolarHBondContact O-N 3.26Å; T537-F540 PolarHBondContact O-N 3.13Å; T537-V568 HydrophobicContact CG2-CB 4.46Å; T537-V568 HydrophobicContact CG2-CG1 3.83Å; T537-V568 HydrophobicContact CG2-CG2 3.89Å; T537-C572 HydrophobicContact CG2-CB 4.01Å; T537-C572 PolarHBondContact OG1-SG 2.87Å; T537-I580 HydrophobicContact CG2-CG2 4.02Å
538P74.8Confident82.2Confident73 Ų7350.8 Ų50.847%0.47426%0.263SS..THydrogen-bonded Turntrans-55.6-5.3175.9-28.936.1000116.9A581P538-A581 VanDerWaalsContact CD-O 3.27Å; P538-A581 WeakPolarHBondContact CD-O 3.48Å
539K73.4Confident82.4Confident123 Ų12350.1 Ų50.154%0.53526%0.26SS..THydrogen-bonded Turntrans-91.5-4172.8-57.8-171.2-178.8-1760114.5T537 C541 E575T537-K539 PolarHBondContact O-N 3.26Å; K539-C541 PolarHBondContact O-N 2.94Å; K539-C541 PolarHBondContact O-SG 3.05Å; K539-E575 IonicContact NZ-OE1 2.62Å; K539-E575 IonicContact NZ-OE2 3.27Å; K539-E575 PolarHBondContact NZ-OE2 3.01Å
540F72.5Confident83.1Confident115 Ų11548.7 Ų48.750%0.50425%0.253SS..  trans4241.7175.2-63-79.9000115.6T537 D583T537-F540 PolarHBondContact O-N 3.13Å; F540-D583 WeakPolarHBondContact CZ-OD2 3.47Å
541C81.2Confident83.6Confident12 Ų1248.5 Ų48.58%0.08125%0.252CS..  trans-76.3141.9-171.1-63.20000113.1C535 K539 R571C535-C541 HydrophobicContact CB-CB 3.88Å; C535-C541 WeakPolarHBondContact CB-O 3.27Å; C535-C541 PolarHBondContact N-O 3.47Å; K539-C541 PolarHBondContact O-N 2.94Å; K539-C541 PolarHBondContact O-SG 3.05Å; C541-R571 PolarHBondContact SG-NH2 2.91Å
542T80.1Confident84.3Confident71 Ų7147.1 Ų47.144%0.43624%0.24SC..EExtended strand (participates in β ladder)trans-68.9132.5173.2-40.60000111.8T532 Y544T532-T542 HydrophobicContact CG2-CG2 3.2Å; T542-Y544 HydrophobicContact CG2-CD1 3.93Å; T542-Y544 HydrophobicContact CG2-CE1 3.46Å; T542-Y544 VanDerWaalsContact CG2-CE1 3.46Å; T542-Y544 HydrophobicContact CG2-CE2 4.43Å
543I85Confident84.6Confident3 Ų350.3 Ų50.32%0.01525%0.251CS..EExtended strand (participates in β ladder)trans-107.3101171.3-61.9161000107.6L533 C535 Y549 C569 N602L533-I543 HydrophobicContact CB-CB 3.97Å; L533-I543 HydrophobicContact CB-CD1 4.23Å; L533-I543 HydrophobicContact CB-CG2 4.27Å; L533-I543 PolarHBondContact N-O 3.05Å; L533-I543 WeakPolarHBondContact O-CB 3.27Å; L533-I543 PolarHBondContact O-N 2.88Å; C535-I543 HydrophobicContact CB-CD1 4.02Å; C535-I543 HydrophobicContact CB-CG1 4.18Å; I543-Y549 HydrophobicContact CG2-CD1 4.35Å; I543-Y549 HydrophobicContact CG2-CG 4.16Å; I543-C569 HydrophobicContact CD1-CB 4.27Å; I543-C569 HydrophobicContact CG1-CB 3.56Å; I543-N602 HydrophobicContact CG2-CB 4.43Å
544Y82.3Confident84.2Confident107 Ų10748.9 Ų48.942%0.4224%0.244SC..  trans-70.2165.5-179.9-61.4-65000113T532 T542 A547 N602 E807T532-Y544 HydrophobicContact CG2-CD1 4.41Å; T542-Y544 HydrophobicContact CG2-CD1 3.93Å; T542-Y544 HydrophobicContact CG2-CE1 3.46Å; T542-Y544 VanDerWaalsContact CG2-CE1 3.46Å; T542-Y544 HydrophobicContact CG2-CE2 4.43Å; Y544-A547 WeakPolarHBondContact O-CB 3.34Å; Y544-A547 PolarHBondContact O-N 3.41Å; Y544-N602 WeakPolarHBondContact O-CB 3.33Å; Y544-N602 PolarHBondContact O-ND2 3.3Å; Y544-E807 WeakPolarHBondContact CE1-O 3.14Å; Y544-E807 PolarHBondContact OH-O 3.34Å
545R78.6Confident83.7Confident107 Ų10751.9 Ų51.940%0.40426%0.257SS..THydrogen-bonded Turntrans-56.8148.9168.1173.6177.2167.6175.2-3.5111.5P530 A547P530-R545 HydrophobicContact CB-CG 4.31Å; P530-R545 HydrophobicContact CG-CG 4.11Å; R545-A547 PolarHBondContact O-N 3.49Å
546D82.8Confident82.5Confident58 Ų5855.3 Ų55.331%0.3129%0.292SS..THydrogen-bonded Turntrans59.2-5.3-174.1-85.5-96.4000114.9K492 K601 N602K492-D546 IonicContact NZ-OD1 2.68Å; K492-D546 PolarHBondContact NZ-OD1 3.12Å; D546-K601 WeakPolarHBondContact O-CE 3.49Å; D546-K601 WeakPolarHBondContact O-CG 3.49Å; D546-K601 PolarHBondContact O-NZ 3.5Å; D546-K601 IonicContact OD1-NZ 3.35Å; D546-K601 PolarHBondContact OD1-NZ 2.99Å; D546-N602 PolarHBondContact N-O 2.8Å
547A89.3Confident81.2Confident34 Ų3461.5 Ų61.528%0.28132%0.32SS..  trans-72151.6177.900000112.3Y544 R545 K601 N602Y544-A547 WeakPolarHBondContact O-CB 3.34Å; Y544-A547 PolarHBondContact O-N 3.41Å; R545-A547 PolarHBondContact O-N 3.49Å; A547-K601 WeakPolarHBondContact O-CA 3.47Å; A547-N602 PolarHBondContact O-N 2.91Å
548V93.1Very high80.1Confident41 Ų4162.7 Ų62.725%0.24833%0.327CS..EExtended strand (participates in β ladder)trans-81.1137.3172.8177.40000110Y550 E570 K599V548-Y550 HydrophobicContact CG1-CE2 4.35Å; V548-E570 HydrophobicContact CB-CB 4.21Å; V548-E570 HydrophobicContact CG1-CB 4.18Å; V548-E570 HydrophobicContact CG1-CG 4.39Å; V548-E570 WeakPolarHBondContact CG1-OE1 3.29Å; V548-E570 WeakPolarHBondContact O-CB 3.43Å; V548-E570 PolarHBondContact O-N 3.33Å; V548-K599 HydrophobicContact CG1-CD 4.36Å; V548-K599 VanDerWaalsContact CG1-CE 3.49Å; V548-K599 HydrophobicContact CG1-CG 4.1Å
549Y94.5Very high79.4Confident7 Ų765 Ų653%0.02734%0.342CS..EExtended strand (participates in β ladder)trans-146.2171.4177.176.5-77.2000110.4L533 I543 V551 T567 V568 C600 N602L533-Y549 HydrophobicContact CD1-CD2 4.4Å; L533-Y549 HydrophobicContact CD1-CE1 4.12Å; L533-Y549 HydrophobicContact CD1-CE2 3.82Å; I543-Y549 HydrophobicContact CG2-CD1 4.35Å; I543-Y549 HydrophobicContact CG2-CG 4.16Å; Y549-V551 HydrophobicContact CD2-CG2 3.88Å; Y549-V551 HydrophobicContact CE2-CG2 3.27Å; Y549-T567 HydrophobicContact CD2-CG2 4.31Å; Y549-T567 HydrophobicContact CE2-CG2 3.92Å; Y549-V568 CarbonylContact C-O 3.59Å; Y549-V568 WeakPolarHBondContact CA-O 3.34Å; Y549-V568 WeakPolarHBondContact CB-O 3.38Å; Y549-C600 HydrophobicContact CD1-CB 3.94Å; Y549-C600 HydrophobicContact CD2-CB 4.43Å; Y549-C600 HydrophobicContact CE1-CB 3.53Å; Y549-C600 HydrophobicContact CE2-CB 4.11Å; Y549-C600 HydrophobicContact CG-CB 4.37Å; Y549-C600 PolarHBondContact N-O 2.81Å; Y549-C600 CarbonylContact O-C 3.53Å; Y549-C600 PolarHBondContact O-N 2.97Å; Y549-N602 HydrophobicContact CD1-CB 4.17Å; Y549-N602 HydrophobicContact CE1-CB 4.05Å
550Y95.3Very high78.8Confident17 Ų1760.3 Ų60.37%0.06733%0.329CS..EExtended strand (participates in β ladder)trans-124.4137.4-178.6-65.1-96000109.4V548 T567 V568 E570 Y573 E598 K599V548-Y550 HydrophobicContact CG1-CE2 4.35Å; Y550-T567 CarbonylContact O-C 3.59Å; Y550-T567 WeakPolarHBondContact O-CA 3.42Å; Y550-V568 PolarHBondContact N-O 3.03Å; Y550-V568 PolarHBondContact O-N 3.24Å; Y550-E570 HydrophobicContact CE2-CB 4.07Å; Y550-E570 HydrophobicContact CE2-CG 4.09Å; Y550-E570 PolarHBondContact OH-OE1 2.91Å; Y550-Y573 HydrophobicContact CD1-CD1 4.28Å; Y550-Y573 AromaticContact CD1-CD2 3.62Å; Y550-Y573 HydrophobicContact CD1-CD2 3.62Å; Y550-Y573 HydrophobicContact CD1-CE1 4.15Å; Y550-Y573 AromaticContact CD1-CE2 3.5Å; Y550-Y573 HydrophobicContact CD1-CE2 3.5Å; Y550-Y573 VanDerWaalsContact CD1-CE2 3.5Å; Y550-Y573 HydrophobicContact CD1-CG 4.03Å; Y550-Y573 AromaticContact CD1-CZ 3.77Å; Y550-Y573 VanDerWaalsContact CD2-CB 3.44Å; Y550-Y573 AromaticContact CD2-CD1 4Å; Y550-Y573 HydrophobicContact CD2-CD1 4Å; Y550-Y573 AromaticContact CD2-CD2 3.58Å; Y550-Y573 HydrophobicContact CD2-CD2 3.58Å; Y550-Y573 HydrophobicContact CD2-CE2 4.32Å; Y550-Y573 AromaticContact CD2-CG 3.4Å; Y550-Y573 HydrophobicContact CD2-CG 3.4Å; Y550-Y573 AromaticContact CE1-CD1 3.93Å; Y550-Y573 HydrophobicContact CE1-CD1 3.93Å; Y550-Y573 HydrophobicContact CE1-CD2 4.13Å; Y550-Y573 AromaticContact CE1-CE1 3.71Å; Y550-Y573 HydrophobicContact CE1-CE1 3.71Å; Y550-Y573 AromaticContact CE1-CE2 3.94Å; Y550-Y573 HydrophobicContact CE1-CE2 3.94Å; Y550-Y573 HydrophobicContact CE1-CG 4.13Å; Y550-Y573 AromaticContact CE1-CZ 3.71Å; Y550-Y573 AromaticContact CE2-CD1 3.64Å; Y550-Y573 HydrophobicContact CE2-CD1 3.64Å; Y550-Y573 HydrophobicContact CE2-CD2 4.1Å; Y550-Y573 HydrophobicContact CE2-CE1 4.29Å; Y550-Y573 AromaticContact CE2-CG 3.53Å; Y550-Y573 HydrophobicContact CE2-CG 3.53Å; Y550-Y573 HydrophobicContact CG-CD1 4.3Å; Y550-Y573 AromaticContact CG-CD2 3.31Å; Y550-Y573 HydrophobicContact CG-CD2 3.31Å; Y550-Y573 AromaticContact CG-CE2 3.7Å; Y550-Y573 HydrophobicContact CG-CE2 3.7Å; Y550-Y573 AromaticContact CG-CG 3.66Å; Y550-Y573 HydrophobicContact CG-CG 3.66Å; Y550-Y573 AromaticContact CZ-CD1 3.59Å; Y550-Y573 AromaticContact CZ-CE1 3.79Å; Y550-Y573 AromaticContact CZ-CG 3.9Å; Y550-E598 CarbonylContact C-O 3.54Å; Y550-E598 VanDerWaalsContact CA-O 3.28Å; Y550-E598 WeakPolarHBondContact CA-O 3.24Å; Y550-K599 HydrophobicContact CD1-CB 3.92Å; Y550-K599 HydrophobicContact CD1-CG 4.21Å; Y550-K599 HydrophobicContact CE1-CB 3.63Å; Y550-K599 HydrophobicContact CE1-CD 3.87Å; Y550-K599 HydrophobicContact CE1-CG 3.64Å; Y550-K599 PolarHBondContact OH-NZ 2.99Å
551V92.2Very high78.3Confident1 Ų155.7 Ų55.71%0.00631%0.309CS..EExtended strand (participates in β ladder)trans-113.7128.7-176.9171.70000109.7Y549 K553 K565 Y566 M597 E598 C600Y549-V551 HydrophobicContact CD2-CG2 3.88Å; Y549-V551 HydrophobicContact CE2-CG2 3.27Å; V551-K553 HydrophobicContact CG1-CG 4.1Å; V551-K565 HydrophobicContact CG1-CD 4.32Å; V551-K565 HydrophobicContact CG1-CG 3.6Å; V551-Y566 CarbonylContact C-O 3.57Å; V551-Y566 VanDerWaalsContact CA-O 3.3Å; V551-Y566 WeakPolarHBondContact CA-O 3.4Å; V551-M597 CarbonylContact O-C 3.56Å; V551-M597 VanDerWaalsContact O-CA 3.26Å; V551-M597 WeakPolarHBondContact O-CA 3.45Å; V551-E598 HydrophobicContact CB-CB 4.48Å; V551-E598 PolarHBondContact N-O 3.14Å; V551-E598 PolarHBondContact O-N 2.9Å; V551-C600 HydrophobicContact CG2-CB 4.18Å; V551-C600 VanDerWaalsContact CG2-SG 3.54Å
552Y90.7Very high77.3Confident22 Ų2261.1 Ų61.19%0.08634%0.337CS..EExtended strand (participates in β ladder)trans-102.4120.5161178.1-116.1000109.1T558 L561 K565 Y566 L582 V592 L596Y552-T558 PolarHBondContact OH-OG1 2.66Å; Y552-L561 HydrophobicContact CD1-CD1 3.98Å; Y552-L561 HydrophobicContact CE1-CD1 3.58Å; Y552-K565 CarbonylContact O-C 3.58Å; Y552-K565 WeakPolarHBondContact O-CA 3.33Å; Y552-Y566 HydrophobicContact CD1-CD2 4.3Å; Y552-Y566 PolarHBondContact N-O 3.4Å; Y552-Y566 PolarHBondContact O-N 3.21Å; Y552-L582 HydrophobicContact CD1-CD1 4.12Å; Y552-V592 HydrophobicContact CD1-CG1 4.11Å; Y552-V592 HydrophobicContact CD1-CG2 3.92Å; Y552-V592 HydrophobicContact CD2-CG1 3.51Å; Y552-V592 HydrophobicContact CE1-CG1 4.31Å; Y552-V592 HydrophobicContact CE1-CG2 3.89Å; Y552-V592 HydrophobicContact CE2-CG1 3.75Å; Y552-V592 HydrophobicContact CG-CG1 3.7Å; Y552-V592 HydrophobicContact CG-CG2 4.35Å; Y552-L596 HydrophobicContact CD2-CB 4.1Å; Y552-L596 HydrophobicContact CE2-CB 3.96Å; Y552-L596 HydrophobicContact CE2-CD1 4.4Å
553K85.5Confident76.3Confident108 Ų10862.5 Ų62.547%0.4734%0.339SS..EExtended strand (participates in β ladder)trans-88.2127.5168.5-71162.2179.5162.30107.6V551 Q564 E598V551-K553 HydrophobicContact CG1-CG 4.1Å; K553-Q564 WeakPolarHBondContact CA-O 3.44Å; K553-E598 VanDerWaalsContact CE-OE2 3.25Å; K553-E598 WeakPolarHBondContact CE-OE2 3.35Å; K553-E598 IonicContact NZ-OE1 2.64Å; K553-E598 IonicContact NZ-OE2 3.85Å; K553-E598 PolarHBondContact NZ-OE2 3.24Å
554S75.1Confident75.4Confident10 Ų1070.4 Ų70.47%0.0738%0.375CS..  trans-104.3106.2-177.9-172.50000109.6G556 T558 Q564S554-G556 PolarHBondContact O-N 3.33Å; S554-T558 PolarHBondContact OG-OG1 3.38Å; S554-Q564 PolarHBondContact N-O 3.49Å
555D70.8Confident75.4Confident133 Ų13370.2 Ų70.271%0.71138%0.377SS*.  trans-74.226.6-178.1-54.4-33.4000113Q557D555-Q557 PolarHBondContact O-N 2.77Å
556G63.3Low75.7Confident71 Ų7165.3 Ų65.373%0.73236%0.358SS*.SBendtrans70.2-11.6-174.300000115.6S554 T558S554-G556 PolarHBondContact O-N 3.33Å; G556-T558 PolarHBondContact O-N 3.03Å
557Q58.8Low76.1Confident171 Ų17163.3 Ų63.380%0.79935%0.348SS*.  trans-77.5-18.3-174.7-60.7-172.920.600114.2D555 P559D555-Q557 PolarHBondContact O-N 2.77Å; Q557-P559 VanDerWaalsContact O-CD 3.28Å; Q557-P559 WeakPolarHBondContact O-CD 3.1Å
558T62.4Low76.2Confident32 Ų3261.7 Ų61.720%0.19634%0.335CS..SBendtrans-88.9107.5-171.6-210000111.4Y552 S554 G556 G560 L561 V590Y552-T558 PolarHBondContact OH-OG1 2.66Å; S554-T558 PolarHBondContact OG-OG1 3.38Å; G556-T558 PolarHBondContact O-N 3.03Å; T558-G560 PolarHBondContact O-N 3.5Å; T558-L561 HydrophobicContact CG2-CD1 4.19Å; T558-L561 PolarHBondContact O-N 3.33Å; T558-V590 HydrophobicContact CG2-CG1 4.47Å
559P60.1Low76.3Confident121 Ų12160.3 Ų60.379%0.78633%0.327SS*.THydrogen-bonded Turntrans-68.2121-169.3-21.535.1000112.9Q557Q557-P559 VanDerWaalsContact O-CD 3.28Å; Q557-P559 WeakPolarHBondContact O-CD 3.1Å
560G60.7Low76.3Confident25 Ų2562.9 Ų62.926%0.25834%0.339SS..THydrogen-bonded Turntrans106.6-6.7175.600000115.3T558 S584T558-G560 PolarHBondContact O-N 3.5Å; G560-S584 VanDerWaalsContact O-CB 3.3Å; G560-S584 WeakPolarHBondContact O-CB 3.41Å; G560-S584 PolarHBondContact O-OG 3.26Å
561L63.4Low76.2Confident18 Ų1869.1 Ų69.19%0.09436%0.363CS..  trans-94.8134.3168.8-65.4176.8000109.5Y552 T558 Y566 L582 V590 V592Y552-L561 HydrophobicContact CD1-CD1 3.98Å; Y552-L561 HydrophobicContact CE1-CD1 3.58Å; T558-L561 HydrophobicContact CG2-CD1 4.19Å; T558-L561 PolarHBondContact O-N 3.33Å; L561-Y566 HydrophobicContact CB-CE2 3.7Å; L561-Y566 HydrophobicContact CD1-CD2 4.34Å; L561-Y566 HydrophobicContact CD1-CE2 4.16Å; L561-Y566 HydrophobicContact CD2-CD1 4.34Å; L561-Y566 HydrophobicContact CD2-CD2 4.3Å; L561-Y566 HydrophobicContact CD2-CE1 3.82Å; L561-Y566 HydrophobicContact CD2-CE2 3.74Å; L561-Y566 HydrophobicContact CG-CE2 4.06Å; L561-L582 HydrophobicContact CD1-CD1 4.41Å; L561-V590 HydrophobicContact CD1-CB 4.38Å; L561-V590 HydrophobicContact CD1-CG1 4.06Å; L561-V590 HydrophobicContact CD2-CB 3.88Å; L561-V590 HydrophobicContact CD2-CG1 4.43Å; L561-V590 HydrophobicContact CD2-CG2 3.95Å; L561-V590 HydrophobicContact CG-CB 4.01Å; L561-V590 HydrophobicContact CG-CG1 4.04Å; L561-V590 HydrophobicContact CG-CG2 4.03Å; L561-V592 HydrophobicContact CD1-CG2 4.04Å
562L60.2Low76.3Confident127 Ų12769.5 Ų69.567%0.66537%0.365SS*.  trans-117.1-25.7-171.9-79.4159.9000113.4Y566 D585L562-Y566 PolarHBondContact N-OH 2.75Å; L562-D585 HydrophobicContact CD1-CB 3.93Å; L562-D585 WeakPolarHBondContact CD1-OD2 3.45Å
563E58.8Low76.5Confident100 Ų10070.1 Ų70.147%0.46737%0.368SS..SBendtrans-84.2153.6173.5-55.6-177.413200110.4L536 K565 Y566L536-E563 VanDerWaalsContact CD1-OE2 3.31Å; L536-E563 WeakPolarHBondContact CD1-OE2 3.27Å; E563-K565 VanDerWaalsContact C-N 3.34Å; E563-Y566 HydrophobicContact CB-CE1 4.35Å; E563-Y566 HydrophobicContact CB-CE2 3.86Å; E563-Y566 HydrophobicContact CG-CE1 4.48Å; E563-Y566 PolarHBondContact N-OH 2.87Å; E563-Y566 WeakPolarHBondContact O-CE2 3.42Å; E563-Y566 WeakPolarHBondContact OE2-CE1 3.41Å
564Q66.7Low76.8Confident168 Ų16869.8 Ų69.879%0.78537%0.371SS*.SBendtrans-77.9-17.8174.8-68.8-179.6-7.900113.1K553 S554K553-Q564 WeakPolarHBondContact CA-O 3.44Å; S554-Q564 PolarHBondContact N-O 3.49Å
565K80.4Confident77.7Confident104 Ų10474.1 Ų74.145%0.45239%0.39SS..EExtended strand (participates in β ladder)trans-148.399.6-166.9-168.7-173.8-178.7-1750112.9V551 Y552 E563V551-K565 HydrophobicContact CG1-CD 4.32Å; V551-K565 HydrophobicContact CG1-CG 3.6Å; Y552-K565 CarbonylContact O-C 3.58Å; Y552-K565 WeakPolarHBondContact O-CA 3.33Å; E563-K565 VanDerWaalsContact C-N 3.34Å
566Y86.4Confident78.5Confident3 Ų369 Ų691%0.01237%0.366CS..EExtended strand (participates in β ladder)trans-91.3140.6177.6-70-90.7000111.9L536 V551 Y552 L561 L562 E563 L582L536-Y566 HydrophobicContact CB-CD1 4.31Å; L536-Y566 HydrophobicContact CD1-CD1 3.53Å; L536-Y566 HydrophobicContact CD1-CE1 4.13Å; L536-Y566 HydrophobicContact CD1-CG 4.31Å; V551-Y566 CarbonylContact C-O 3.57Å; V551-Y566 VanDerWaalsContact CA-O 3.3Å; V551-Y566 WeakPolarHBondContact CA-O 3.4Å; Y552-Y566 HydrophobicContact CD1-CD2 4.3Å; Y552-Y566 PolarHBondContact N-O 3.4Å; Y552-Y566 PolarHBondContact O-N 3.21Å; L561-Y566 HydrophobicContact CB-CE2 3.7Å; L561-Y566 HydrophobicContact CD1-CD2 4.34Å; L561-Y566 HydrophobicContact CD1-CE2 4.16Å; L561-Y566 HydrophobicContact CD2-CD1 4.34Å; L561-Y566 HydrophobicContact CD2-CD2 4.3Å; L561-Y566 HydrophobicContact CD2-CE1 3.82Å; L561-Y566 HydrophobicContact CD2-CE2 3.74Å; L561-Y566 HydrophobicContact CG-CE2 4.06Å; L562-Y566 PolarHBondContact N-OH 2.75Å; E563-Y566 HydrophobicContact CB-CE1 4.35Å; E563-Y566 HydrophobicContact CB-CE2 3.86Å; E563-Y566 HydrophobicContact CG-CE1 4.48Å; E563-Y566 PolarHBondContact N-OH 2.87Å; E563-Y566 WeakPolarHBondContact O-CE2 3.42Å; E563-Y566 WeakPolarHBondContact OE2-CE1 3.41Å; Y566-L582 HydrophobicContact CD1-CD1 4.27Å; Y566-L582 HydrophobicContact CD2-CD1 4.47Å; Y566-L582 HydrophobicContact CG-CD1 3.9Å
567T89.9Confident79.6Confident16 Ų1672.6 Ų72.610%0.09837%0.368CS..EExtended strand (participates in β ladder)trans-121.4140.6-178.284.60000113.3T534 C535 L536 Y549 Y550T534-T567 PolarHBondContact O-OG1 3.45Å; C535-T567 CarbonylContact C-O 3.58Å; C535-T567 WeakPolarHBondContact CA-O 3.26Å; L536-T567 PolarHBondContact N-O 2.79Å; Y549-T567 HydrophobicContact CD2-CG2 4.31Å; Y549-T567 HydrophobicContact CE2-CG2 3.92Å; Y550-T567 CarbonylContact O-C 3.59Å; Y550-T567 WeakPolarHBondContact O-CA 3.42Å
568V93.1Very high81.1Confident0 Ų070.5 Ų70.50%036%0.362CS..EExtended strand (participates in β ladder)trans-137.4131.4-176.7176.50000110.5T537 Y549 Y550 C572 I580 L582 M597T537-V568 HydrophobicContact CG2-CB 4.46Å; T537-V568 HydrophobicContact CG2-CG1 3.83Å; T537-V568 HydrophobicContact CG2-CG2 3.89Å; Y549-V568 CarbonylContact C-O 3.59Å; Y549-V568 WeakPolarHBondContact CA-O 3.34Å; Y549-V568 WeakPolarHBondContact CB-O 3.38Å; Y550-V568 PolarHBondContact N-O 3.03Å; Y550-V568 PolarHBondContact O-N 3.24Å; V568-C572 HydrophobicContact CG1-CB 3.85Å; V568-I580 HydrophobicContact CG1-CG2 4.43Å; V568-I580 HydrophobicContact CG2-CG2 4.16Å; V568-L582 HydrophobicContact CG2-CD2 3.37Å; V568-M597 HydrophobicContact CB-CE 4.04Å; V568-M597 HydrophobicContact CG2-CE 3.72Å; V568-M597 HydrophobicContact CG2-SD 4.47Å
569C94Very high82.3Confident13 Ų1374 Ų749%0.08838%0.376CS..EExtended strand (participates in β ladder)trans-71.3153.1179.4760000112.1C535 I543 R571 C572 Y573C535-C569 HydrophobicContact CB-CB 4.11Å; C535-C569 PolarHBondContact SG-N 3.04Å; I543-C569 HydrophobicContact CD1-CB 4.27Å; I543-C569 HydrophobicContact CG1-CB 3.56Å; C569-R571 PolarHBondContact O-N 3.38Å; C569-R571 VanDerWaalsContact O-N 3.12Å; C569-C572 PolarHBondContact O-N 2.96Å; C569-C572 VanDerWaalsContact O-N 3.08Å; C569-C572 PolarHBondContact SG-N 3.27Å; C569-C572 VanDerWaalsContact SG-N 3.42Å; C569-Y573 PolarHBondContact O-N 2.94Å
570E94.8Very high83.7Confident61 Ų6168.4 Ų68.429%0.28534%0.34SS..Hα-helixtrans-57.1-30.8-178.7-179.7159.8-114.500113.8V548 Y550 N574 K599V548-E570 HydrophobicContact CB-CB 4.21Å; V548-E570 HydrophobicContact CG1-CB 4.18Å; V548-E570 HydrophobicContact CG1-CG 4.39Å; V548-E570 WeakPolarHBondContact CG1-OE1 3.29Å; V548-E570 WeakPolarHBondContact O-CB 3.43Å; V548-E570 PolarHBondContact O-N 3.33Å; Y550-E570 HydrophobicContact CE2-CB 4.07Å; Y550-E570 HydrophobicContact CE2-CG 4.09Å; Y550-E570 PolarHBondContact OH-OE1 2.91Å; E570-N574 WeakPolarHBondContact CG-ND2 3.33Å; E570-N574 VanDerWaalsContact O-CB 3.3Å; E570-N574 WeakPolarHBondContact O-CB 3.46Å; E570-N574 PolarHBondContact O-N 3.23Å; E570-N574 PolarHBondContact O-ND2 3.41Å; E570-K599 IonicContact OE1-NZ 3.7Å; E570-K599 PolarHBondContact OE1-NZ 2.83Å
571R93Very high85Confident147 Ų14768.8 Ų68.856%0.55534%0.341SS*.Hα-helixtrans-62.6-55.4172.1-178.517769.8-170.71.8111.9C541 C569 Y573 N574 E575C541-R571 PolarHBondContact SG-NH2 2.91Å; C569-R571 PolarHBondContact O-N 3.38Å; C569-R571 VanDerWaalsContact O-N 3.12Å; R571-Y573 VanDerWaalsContact C-N 3.25Å; R571-Y573 PolarHBondContact O-N 3.24Å; R571-N574 PolarHBondContact O-N 3.27Å; R571-N574 VanDerWaalsContact O-N 3.17Å; R571-E575 WeakPolarHBondContact CD-OE1 3.32Å; R571-E575 VanDerWaalsContact CG-CD 3.46Å; R571-E575 HydrophobicContact CG-CG 4.14Å; R571-E575 VanDerWaalsContact CG-OE1 3.24Å; R571-E575 WeakPolarHBondContact CG-OE1 3.4Å; R571-E575 WeakPolarHBondContact O-CB 3.26Å; R571-E575 VanDerWaalsContact O-CG 3.26Å; R571-E575 WeakPolarHBondContact O-CG 2.98Å; R571-E575 PolarHBondContact O-N 3.13Å
572C93.7Very high86Confident9 Ų968 Ų686%0.06134%0.336CS..Hα-helixtrans-66-29.2-178.6-69.30000112.5T537 V568 C569 A576T537-C572 HydrophobicContact CG2-CB 4.01Å; T537-C572 PolarHBondContact OG1-SG 2.87Å; V568-C572 HydrophobicContact CG1-CB 3.85Å; C569-C572 PolarHBondContact O-N 2.96Å; C569-C572 VanDerWaalsContact O-N 3.08Å; C569-C572 PolarHBondContact SG-N 3.27Å; C569-C572 VanDerWaalsContact SG-N 3.42Å; C572-A576 PolarHBondContact O-N 3.03Å
573Y94.7Very high86.5Confident36 Ų3663.1 Ų63.114%0.14131%0.311CS..Hα-helixtrans-64.6-54.4169.1-171.9-87.2000110.5Y550 C569 R571 E575 A576 I580 K594 M597Y550-Y573 HydrophobicContact CD1-CD1 4.28Å; Y550-Y573 AromaticContact CD1-CD2 3.62Å; Y550-Y573 HydrophobicContact CD1-CD2 3.62Å; Y550-Y573 HydrophobicContact CD1-CE1 4.15Å; Y550-Y573 AromaticContact CD1-CE2 3.5Å; Y550-Y573 HydrophobicContact CD1-CE2 3.5Å; Y550-Y573 VanDerWaalsContact CD1-CE2 3.5Å; Y550-Y573 HydrophobicContact CD1-CG 4.03Å; Y550-Y573 AromaticContact CD1-CZ 3.77Å; Y550-Y573 VanDerWaalsContact CD2-CB 3.44Å; Y550-Y573 AromaticContact CD2-CD1 4Å; Y550-Y573 HydrophobicContact CD2-CD1 4Å; Y550-Y573 AromaticContact CD2-CD2 3.58Å; Y550-Y573 HydrophobicContact CD2-CD2 3.58Å; Y550-Y573 HydrophobicContact CD2-CE2 4.32Å; Y550-Y573 AromaticContact CD2-CG 3.4Å; Y550-Y573 HydrophobicContact CD2-CG 3.4Å; Y550-Y573 AromaticContact CE1-CD1 3.93Å; Y550-Y573 HydrophobicContact CE1-CD1 3.93Å; Y550-Y573 HydrophobicContact CE1-CD2 4.13Å; Y550-Y573 AromaticContact CE1-CE1 3.71Å; Y550-Y573 HydrophobicContact CE1-CE1 3.71Å; Y550-Y573 AromaticContact CE1-CE2 3.94Å; Y550-Y573 HydrophobicContact CE1-CE2 3.94Å; Y550-Y573 HydrophobicContact CE1-CG 4.13Å; Y550-Y573 AromaticContact CE1-CZ 3.71Å; Y550-Y573 AromaticContact CE2-CD1 3.64Å; Y550-Y573 HydrophobicContact CE2-CD1 3.64Å; Y550-Y573 HydrophobicContact CE2-CD2 4.1Å; Y550-Y573 HydrophobicContact CE2-CE1 4.29Å; Y550-Y573 AromaticContact CE2-CG 3.53Å; Y550-Y573 HydrophobicContact CE2-CG 3.53Å; Y550-Y573 HydrophobicContact CG-CD1 4.3Å; Y550-Y573 AromaticContact CG-CD2 3.31Å; Y550-Y573 HydrophobicContact CG-CD2 3.31Å; Y550-Y573 AromaticContact CG-CE2 3.7Å; Y550-Y573 HydrophobicContact CG-CE2 3.7Å; Y550-Y573 AromaticContact CG-CG 3.66Å; Y550-Y573 HydrophobicContact CG-CG 3.66Å; Y550-Y573 AromaticContact CZ-CD1 3.59Å; Y550-Y573 AromaticContact CZ-CE1 3.79Å; Y550-Y573 AromaticContact CZ-CG 3.9Å; C569-Y573 PolarHBondContact O-N 2.94Å; R571-Y573 VanDerWaalsContact C-N 3.25Å; R571-Y573 PolarHBondContact O-N 3.24Å; Y573-E575 VanDerWaalsContact C-N 3.34Å; Y573-E575 PolarHBondContact O-N 3.29Å; Y573-A576 PolarHBondContact O-N 3.47Å; Y573-I580 HydrophobicContact CD2-CD1 3.24Å; Y573-I580 HydrophobicContact CE2-CD1 3.73Å; Y573-I580 HydrophobicContact CG-CD1 3.95Å; Y573-K594 HydrophobicContact CD2-CG 4.45Å; Y573-K594 HydrophobicContact CE1-CD 3.99Å; Y573-K594 HydrophobicContact CE1-CG 4.36Å; Y573-K594 HydrophobicContact CE2-CB 4.2Å; Y573-K594 HydrophobicContact CE2-CD 4.35Å; Y573-K594 HydrophobicContact CE2-CG 3.83Å; Y573-K594 WeakPolarHBondContact O-CE 3.3Å; Y573-K594 PolarHBondContact O-NZ 3.46Å; Y573-K594 PolarHBondContact OH-O 3Å; Y573-M597 HydrophobicContact CD2-SD 4.14Å; Y573-M597 HydrophobicContact CE2-CB 4.05Å; Y573-M597 HydrophobicContact CE2-CG 4.44Å; Y573-M597 HydrophobicContact CE2-SD 4.18Å
574N93.5Very high86.8Confident100 Ų10059 Ų5954%0.53529%0.294SS..Hα-helixtrans-65.1-34-176.3-69.3-14.4000113.3E570 R571 A576E570-N574 WeakPolarHBondContact CG-ND2 3.33Å; E570-N574 VanDerWaalsContact O-CB 3.3Å; E570-N574 WeakPolarHBondContact O-CB 3.46Å; E570-N574 PolarHBondContact O-N 3.23Å; E570-N574 PolarHBondContact O-ND2 3.41Å; R571-N574 PolarHBondContact O-N 3.27Å; R571-N574 VanDerWaalsContact O-N 3.17Å; N574-A576 VanDerWaalsContact C-N 3.32Å; N574-A576 PolarHBondContact O-N 3.26Å
575E93.1Very high86.2Confident102 Ų10257 Ų5748%0.47729%0.288SS..Hα-helixtrans-72-19.5177.2-72.217216500114.3K539 R571 Y573K539-E575 IonicContact NZ-OE1 2.62Å; K539-E575 IonicContact NZ-OE2 3.27Å; K539-E575 PolarHBondContact NZ-OE2 3.01Å; R571-E575 WeakPolarHBondContact CD-OE1 3.32Å; R571-E575 VanDerWaalsContact CG-CD 3.46Å; R571-E575 HydrophobicContact CG-CG 4.14Å; R571-E575 VanDerWaalsContact CG-OE1 3.24Å; R571-E575 WeakPolarHBondContact CG-OE1 3.4Å; R571-E575 WeakPolarHBondContact O-CB 3.26Å; R571-E575 VanDerWaalsContact O-CG 3.26Å; R571-E575 WeakPolarHBondContact O-CG 2.98Å; R571-E575 PolarHBondContact O-N 3.13Å; Y573-E575 VanDerWaalsContact C-N 3.34Å; Y573-E575 PolarHBondContact O-N 3.29Å
576A87.4Confident84.7Confident25 Ų2554.6 Ų54.621%0.20728%0.284CS..SBendtrans-79.5160.2177.100000112.3C572 Y573 N574 I580 K594C572-A576 PolarHBondContact O-N 3.03Å; Y573-A576 PolarHBondContact O-N 3.47Å; N574-A576 VanDerWaalsContact C-N 3.32Å; N574-A576 PolarHBondContact O-N 3.26Å; A576-I580 HydrophobicContact CB-CD1 4.43Å; A576-I580 HydrophobicContact CB-CG1 3.47Å; A576-I580 VanDerWaalsContact CB-CG1 3.47Å; A576-K594 PolarHBondContact O-NZ 3.31Å
577L86.6Confident83.3Confident147 Ų14756 Ų5677%0.7730%0.295SS*.  trans-80.8-152.4165.2-59.7178000109.4Q579 K594L577-Q579 PolarHBondContact O-N 2.84Å; L577-Q579 VanDerWaalsContact O-N 3.11Å; L577-K594 WeakPolarHBondContact O-CD 3.48Å; L577-K594 WeakPolarHBondContact O-CE 3.46Å; L577-K594 PolarHBondContact O-NZ 2.64Å
578D89.6Confident82Confident127 Ų12759.2 Ų59.268%0.67931%0.312SS*.SBendtrans-65.1-13.1-178.9-58.9-39.8000114.5Q593 K594D578-Q593 CarbonylContact O-C 3.53Å; D578-Q593 WeakPolarHBondContact O-CA 3.12Å; D578-Q593 WeakPolarHBondContact O-CG 3.32Å; D578-K594 PolarHBondContact O-N 2.82Å
579Q89.3Confident80.9Confident105 Ų10561.9 Ų61.949%0.49133%0.329SS..EExtended strand (participates in β ladder)trans-121.4136.4175.3-67.9-177.5-0.200111L577 N591 V592 Q593L577-Q579 PolarHBondContact O-N 2.84Å; L577-Q579 VanDerWaalsContact O-N 3.11Å; Q579-N591 HydrophobicContact CB-CB 4.22Å; Q579-N591 PolarHBondContact OE1-ND2 2.83Å; Q579-V592 CarbonylContact C-O 3.54Å; Q579-V592 WeakPolarHBondContact CA-O 3.33Å; Q579-Q593 HydrophobicContact CG-CG 4.45Å
580I89.3Confident80.3Confident3 Ų362.4 Ų62.42%0.01533%0.332CS..EExtended strand (participates in β ladder)trans-106.7125.4173.5-72.3161.8000108.6T537 V568 Y573 A576 L582 N591 V592 K594 M597T537-I580 HydrophobicContact CG2-CG2 4.02Å; V568-I580 HydrophobicContact CG1-CG2 4.43Å; V568-I580 HydrophobicContact CG2-CG2 4.16Å; Y573-I580 HydrophobicContact CD2-CD1 3.24Å; Y573-I580 HydrophobicContact CE2-CD1 3.73Å; Y573-I580 HydrophobicContact CG-CD1 3.95Å; A576-I580 HydrophobicContact CB-CD1 4.43Å; A576-I580 HydrophobicContact CB-CG1 3.47Å; A576-I580 VanDerWaalsContact CB-CG1 3.47Å; I580-L582 HydrophobicContact CG2-CD2 3.97Å; I580-L582 HydrophobicContact CG2-CG 4.48Å; I580-L582 PolarHBondContact O-N 3.2Å; I580-N591 WeakPolarHBondContact O-CA 3.35Å; I580-V592 PolarHBondContact N-O 3.2Å; I580-V592 PolarHBondContact O-N 2.69Å; I580-K594 HydrophobicContact CD1-CG 3.75Å; I580-K594 HydrophobicContact CG1-CG 4.16Å; I580-M597 HydrophobicContact CD1-SD 3.58Å; I580-M597 VanDerWaalsContact CD1-SD 3.58Å
581A87.8Confident79.9Confident34 Ų3463.8 Ų63.828%0.28134%0.341SS..EExtended strand (participates in β ladder)trans-76.9102.4171.300000109.4P538 P589P538-A581 VanDerWaalsContact CD-O 3.27Å; P538-A581 WeakPolarHBondContact CD-O 3.48Å; A581-P589 HydrophobicContact CB-CB 4.02Å; A581-P589 HydrophobicContact CB-CG 4.26Å
582L84.2Confident79.6Confident0 Ų057 Ų570%032%0.316CS..EExtended strand (participates in β ladder)trans-82.6133.4169-60.4178.5000109L536 Y552 L561 Y566 V568 I580 P589 V590 V592L536-L582 CarbonylContact O-C 3.56Å; L536-L582 VanDerWaalsContact O-CA 3.32Å; L536-L582 WeakPolarHBondContact O-CA 3.32Å; Y552-L582 HydrophobicContact CD1-CD1 4.12Å; L561-L582 HydrophobicContact CD1-CD1 4.41Å; Y566-L582 HydrophobicContact CD1-CD1 4.27Å; Y566-L582 HydrophobicContact CD2-CD1 4.47Å; Y566-L582 HydrophobicContact CG-CD1 3.9Å; V568-L582 HydrophobicContact CG2-CD2 3.37Å; I580-L582 HydrophobicContact CG2-CD2 3.97Å; I580-L582 HydrophobicContact CG2-CG 4.48Å; I580-L582 PolarHBondContact O-N 3.2Å; L582-P589 CarbonylContact O-C 3.57Å; L582-P589 WeakPolarHBondContact O-CA 3.38Å; L582-P589 WeakPolarHBondContact O-CB 3.11Å; L582-V590 PolarHBondContact N-O 3.22Å; L582-V590 PolarHBondContact O-N 3.18Å; L582-V592 HydrophobicContact CD1-CB 4.07Å; L582-V592 HydrophobicContact CD1-CG2 3.57Å; L582-V592 HydrophobicContact CG-CG2 4.29Å
583D71Confident79.3Confident26 Ų2661.2 Ų61.214%0.13934%0.335CS..  trans-73146169.6-147.636.2000109.4L536 F540 R1208L536-D583 PolarHBondContact O-N 2.93Å; F540-D583 WeakPolarHBondContact CZ-OD2 3.47Å; D583-R1208 IonicContact OD1-CZ 2.7Å; D583-R1208 IonicContact OD1-NH2 2.78Å; D583-R1208 PolarHBondContact OD1-NH2 2.82Å; D583-R1208 IonicContact OD2-CZ 3.2Å; D583-R1208 IonicContact OD2-NH1 3.84Å; D583-R1208 IonicContact OD2-NH2 2.75Å; D583-R1208 PolarHBondContact OD2-NH2 2.96Å
584S64.8Low79.2Confident14 Ų1461.3 Ų61.310%0.09834%0.336CS..  trans-141.4166.1177.580.30000110.5G560 S586G560-S584 VanDerWaalsContact O-CB 3.3Å; G560-S584 WeakPolarHBondContact O-CB 3.41Å; G560-S584 PolarHBondContact O-OG 3.26Å; S584-S586 PolarHBondContact O-N 3.32Å; S584-S586 VanDerWaalsContact O-N 3.14Å; S584-S586 WeakPolarHBondContact OG-CB 3.03Å; S584-S586 PolarHBondContact OG-N 3.47Å; S584-S586 PolarHBondContact OG-O 3.3Å
585D54.4Low79.1Confident124 Ų12460.9 Ų60.966%0.66334%0.341SS*.SBendtrans-65.7-16.3176.9-43.7-71.8000112.2L562L562-D585 HydrophobicContact CD1-CB 3.93Å; L562-D585 WeakPolarHBondContact CD1-OD2 3.45Å
586S48.6Very low78.9Confident54 Ų5460.8 Ų60.838%0.37834%0.343SS..SBendtrans-78.2141.5168.5-70.10000111S584 N588S584-S586 PolarHBondContact O-N 3.32Å; S584-S586 VanDerWaalsContact O-N 3.14Å; S584-S586 WeakPolarHBondContact OG-CB 3.03Å; S584-S586 PolarHBondContact OG-N 3.47Å; S584-S586 PolarHBondContact OG-O 3.3Å; S586-N588 PolarHBondContact O-N 2.83Å
587S57Low79.1Confident34 Ų3460.3 Ų60.324%0.23834%0.336CS..SBendtrans-68.212.5-163.3-44.30000117.6M1204S587-M1204 VanDerWaalsContact O-CG 3.24Å; S587-M1204 WeakPolarHBondContact O-CG 3.5Å
588N62.5Low79.4Confident83 Ų8357.8 Ų57.844%0.44432%0.321SS..SBendtrans-141.6139.3172.1-45-87.2000107.1S586 R1207S586-N588 PolarHBondContact O-N 2.83Å; N588-R1207 PolarHBondContact OD1-NH1 2.91Å
589P69.7Low79.7Confident55 Ų5557.5 Ų57.536%0.35731%0.314SS..  trans-61.3142.2175.328.4-35.4000110.3A581 L582A581-P589 HydrophobicContact CB-CB 4.02Å; A581-P589 HydrophobicContact CB-CG 4.26Å; L582-P589 CarbonylContact O-C 3.57Å; L582-P589 WeakPolarHBondContact O-CA 3.38Å; L582-P589 WeakPolarHBondContact O-CB 3.11Å
590V80.7Confident79.9Confident25 Ų2553.8 Ų53.815%0.15230%0.299CS..EExtended strand (participates in β ladder)trans-90.1122.2178-179.70000108.2T558 L561 L582 V592T558-V590 HydrophobicContact CG2-CG1 4.47Å; L561-V590 HydrophobicContact CD1-CB 4.38Å; L561-V590 HydrophobicContact CD1-CG1 4.06Å; L561-V590 HydrophobicContact CD2-CB 3.88Å; L561-V590 HydrophobicContact CD2-CG1 4.43Å; L561-V590 HydrophobicContact CD2-CG2 3.95Å; L561-V590 HydrophobicContact CG-CB 4.01Å; L561-V590 HydrophobicContact CG-CG1 4.04Å; L561-V590 HydrophobicContact CG-CG2 4.03Å; L582-V590 PolarHBondContact N-O 3.22Å; L582-V590 PolarHBondContact O-N 3.18Å; V590-V592 HydrophobicContact CG1-CG2 4.44Å; V590-V592 PolarHBondContact O-N 3.27Å
591N86.5Confident79.9Confident90 Ų9057 Ų5748%0.48131%0.313SS..EExtended strand (participates in β ladder)trans-77.7114.3175.5-8011.9000110.1Q579 I580Q579-N591 HydrophobicContact CB-CB 4.22Å; Q579-N591 PolarHBondContact OE1-ND2 2.83Å; I580-N591 WeakPolarHBondContact O-CA 3.35Å
592V86.3Confident80Confident4 Ų455.8 Ų55.82%0.02430%0.301CS..EExtended strand (participates in β ladder)trans-105.8139.6173.2173.60000109.4Y552 L561 Q579 I580 L582 V590 L596 M597Y552-V592 HydrophobicContact CD1-CG1 4.11Å; Y552-V592 HydrophobicContact CD1-CG2 3.92Å; Y552-V592 HydrophobicContact CD2-CG1 3.51Å; Y552-V592 HydrophobicContact CE1-CG1 4.31Å; Y552-V592 HydrophobicContact CE1-CG2 3.89Å; Y552-V592 HydrophobicContact CE2-CG1 3.75Å; Y552-V592 HydrophobicContact CG-CG1 3.7Å; Y552-V592 HydrophobicContact CG-CG2 4.35Å; L561-V592 HydrophobicContact CD1-CG2 4.04Å; Q579-V592 CarbonylContact C-O 3.54Å; Q579-V592 WeakPolarHBondContact CA-O 3.33Å; I580-V592 PolarHBondContact N-O 3.2Å; I580-V592 PolarHBondContact O-N 2.69Å; L582-V592 HydrophobicContact CD1-CB 4.07Å; L582-V592 HydrophobicContact CD1-CG2 3.57Å; L582-V592 HydrophobicContact CG-CG2 4.29Å; V590-V592 HydrophobicContact CG1-CG2 4.44Å; V590-V592 PolarHBondContact O-N 3.27Å; V592-L596 HydrophobicContact CG1-CB 4.29Å; V592-M597 HydrophobicContact CG1-CG 4.42Å
593Q89Confident80Confident98 Ų9858.9 Ų58.946%0.45832%0.318SS..EExtended strand (participates in β ladder)trans-71.7137.3179.3-129.5-177.91.300111.2D578 Q579 S595 L596D578-Q593 CarbonylContact O-C 3.53Å; D578-Q593 WeakPolarHBondContact O-CA 3.12Å; D578-Q593 WeakPolarHBondContact O-CG 3.32Å; Q579-Q593 HydrophobicContact CG-CG 4.45Å; Q593-S595 PolarHBondContact O-N 2.99Å; Q593-S595 VanDerWaalsContact O-N 3.16Å; Q593-S595 PolarHBondContact OE1-OG 3.25Å; Q593-L596 HydrophobicContact CB-CD1 4.06Å; Q593-L596 HydrophobicContact CB-CG 4.06Å; Q593-L596 WeakPolarHBondContact O-CB 3.27Å; Q593-L596 PolarHBondContact O-N 3.42Å
594K92.7Very high80.5Confident37 Ų3763 Ų6316%0.16134%0.339CS..G310 helixtrans-53.8-34.6178.9-91.5-169.1171173.80114.4Y573 A576 L577 D578 I580 L596 M597Y573-K594 HydrophobicContact CD2-CG 4.45Å; Y573-K594 HydrophobicContact CE1-CD 3.99Å; Y573-K594 HydrophobicContact CE1-CG 4.36Å; Y573-K594 HydrophobicContact CE2-CB 4.2Å; Y573-K594 HydrophobicContact CE2-CD 4.35Å; Y573-K594 HydrophobicContact CE2-CG 3.83Å; Y573-K594 WeakPolarHBondContact O-CE 3.3Å; Y573-K594 PolarHBondContact O-NZ 3.46Å; Y573-K594 PolarHBondContact OH-O 3Å; A576-K594 PolarHBondContact O-NZ 3.31Å; L577-K594 WeakPolarHBondContact O-CD 3.48Å; L577-K594 WeakPolarHBondContact O-CE 3.46Å; L577-K594 PolarHBondContact O-NZ 2.64Å; D578-K594 PolarHBondContact O-N 2.82Å; I580-K594 HydrophobicContact CD1-CG 3.75Å; I580-K594 HydrophobicContact CG1-CG 4.16Å; K594-L596 PolarHBondContact O-N 3.45Å; K594-M597 PolarHBondContact O-N 2.85Å
595S89.8Confident81.3Confident92 Ų9267.6 Ų67.664%0.64336%0.357SS*.G310 helixtrans-66.6-18.417843.70000113.9Q593Q593-S595 PolarHBondContact O-N 2.99Å; Q593-S595 VanDerWaalsContact O-N 3.16Å; Q593-S595 PolarHBondContact OE1-OG 3.25Å
596L90.3Very high82.9Confident99 Ų9966.6 Ų66.652%0.51835%0.348SS..G310 helixtrans-92.4-0.5177.8-54.7177.5000112.6Y552 V592 Q593 K594Y552-L596 HydrophobicContact CD2-CB 4.1Å; Y552-L596 HydrophobicContact CE2-CB 3.96Å; Y552-L596 HydrophobicContact CE2-CD1 4.4Å; V592-L596 HydrophobicContact CG1-CB 4.29Å; Q593-L596 HydrophobicContact CB-CD1 4.06Å; Q593-L596 HydrophobicContact CB-CG 4.06Å; Q593-L596 WeakPolarHBondContact O-CB 3.27Å; Q593-L596 PolarHBondContact O-N 3.42Å; K594-L596 PolarHBondContact O-N 3.45Å
597M91.7Very high84.9Confident15 Ų1569.7 Ų69.77%0.07436%0.355CS..PPolyproline II helixtrans-101.2124.2-179.3-55.6-161.977.300112.1V551 V568 Y573 I580 V592 K594V551-M597 CarbonylContact O-C 3.56Å; V551-M597 VanDerWaalsContact O-CA 3.26Å; V551-M597 WeakPolarHBondContact O-CA 3.45Å; V568-M597 HydrophobicContact CB-CE 4.04Å; V568-M597 HydrophobicContact CG2-CE 3.72Å; V568-M597 HydrophobicContact CG2-SD 4.47Å; Y573-M597 HydrophobicContact CD2-SD 4.14Å; Y573-M597 HydrophobicContact CE2-CB 4.05Å; Y573-M597 HydrophobicContact CE2-CG 4.44Å; Y573-M597 HydrophobicContact CE2-SD 4.18Å; I580-M597 HydrophobicContact CD1-SD 3.58Å; I580-M597 VanDerWaalsContact CD1-SD 3.58Å; V592-M597 HydrophobicContact CG1-CG 4.42Å; K594-M597 PolarHBondContact O-N 2.85Å
598E92.9Very high86.7Confident95 Ų9568.2 Ų68.244%0.44434%0.344SS..EExtended strand (participates in β ladder)trans-73.9132.2174.6-175-178.3166.700110.4Y550 V551 K553Y550-E598 CarbonylContact C-O 3.54Å; Y550-E598 VanDerWaalsContact CA-O 3.28Å; Y550-E598 WeakPolarHBondContact CA-O 3.24Å; V551-E598 HydrophobicContact CB-CB 4.48Å; V551-E598 PolarHBondContact N-O 3.14Å; V551-E598 PolarHBondContact O-N 2.9Å; K553-E598 VanDerWaalsContact CE-OE2 3.25Å; K553-E598 WeakPolarHBondContact CE-OE2 3.35Å; K553-E598 IonicContact NZ-OE1 2.64Å; K553-E598 IonicContact NZ-OE2 3.85Å; K553-E598 PolarHBondContact NZ-OE2 3.24Å
599K95.3Very high88.2Confident121 Ų12166.9 Ų66.953%0.52634%0.34SS..EExtended strand (participates in β ladder)trans-82119.4175.5-174.5171.5173.8122.10109.9V548 Y550 E570V548-K599 HydrophobicContact CG1-CD 4.36Å; V548-K599 VanDerWaalsContact CG1-CE 3.49Å; V548-K599 HydrophobicContact CG1-CG 4.1Å; Y550-K599 HydrophobicContact CD1-CB 3.92Å; Y550-K599 HydrophobicContact CD1-CG 4.21Å; Y550-K599 HydrophobicContact CE1-CB 3.63Å; Y550-K599 HydrophobicContact CE1-CD 3.87Å; Y550-K599 HydrophobicContact CE1-CG 3.64Å; Y550-K599 PolarHBondContact OH-NZ 2.99Å; E570-K599 IonicContact OE1-NZ 3.7Å; E570-K599 PolarHBondContact OE1-NZ 2.83Å
600C93.1Very high89.4Confident27 Ų2766.7 Ų66.718%0.18233%0.334CS..EExtended strand (participates in β ladder)trans-121.7169.5-178.2-590000111.6Y549 V551Y549-C600 HydrophobicContact CD1-CB 3.94Å; Y549-C600 HydrophobicContact CD2-CB 4.43Å; Y549-C600 HydrophobicContact CE1-CB 3.53Å; Y549-C600 HydrophobicContact CE2-CB 4.11Å; Y549-C600 HydrophobicContact CG-CB 4.37Å; Y549-C600 PolarHBondContact N-O 2.81Å; Y549-C600 CarbonylContact O-C 3.53Å; Y549-C600 PolarHBondContact O-N 2.97Å; V551-C600 HydrophobicContact CG2-CB 4.18Å; V551-C600 VanDerWaalsContact CG2-SG 3.54Å
601K90.6Very high90.1Very high70 Ų7066.4 Ų66.430%0.30433%0.332SS..EExtended strand (participates in β ladder)trans-132.2141.4173.2-171174.7171-65.90109.1D546 A547 D603D546-K601 WeakPolarHBondContact O-CE 3.49Å; D546-K601 WeakPolarHBondContact O-CG 3.49Å; D546-K601 PolarHBondContact O-NZ 3.5Å; D546-K601 IonicContact OD1-NZ 3.35Å; D546-K601 PolarHBondContact OD1-NZ 2.99Å; A547-K601 WeakPolarHBondContact O-CA 3.47Å; K601-D603 WeakPolarHBondContact CB-OD1 3.46Å; K601-D603 IonicContact NZ-OD1 2.65Å; K601-D603 IonicContact NZ-OD2 3.56Å; K601-D603 PolarHBondContact NZ-OD2 2.93Å; K601-D603 PolarHBondContact O-N 3.13Å
602N89.3Confident90.5Very high8 Ų867.2 Ų67.24%0.04333%0.332CS..THydrogen-bonded Turntrans-86.359.3-173.6-167.916.9000111.8P531 I543 Y544 D546 A547 Y549P531-N602 PolarHBondContact O-ND2 3.34Å; I543-N602 HydrophobicContact CG2-CB 4.43Å; Y544-N602 WeakPolarHBondContact O-CB 3.33Å; Y544-N602 PolarHBondContact O-ND2 3.3Å; D546-N602 PolarHBondContact N-O 2.8Å; A547-N602 PolarHBondContact O-N 2.91Å; Y549-N602 HydrophobicContact CD1-CB 4.17Å; Y549-N602 HydrophobicContact CE1-CB 4.05Å
603D84.2Confident91Very high66 Ų6667.1 Ų67.135%0.35333%0.331SS..THydrogen-bonded Turntrans-131.710.3-177.460.7-21.2000114.5K601 K605K601-D603 WeakPolarHBondContact CB-OD1 3.46Å; K601-D603 IonicContact NZ-OD1 2.65Å; K601-D603 IonicContact NZ-OD2 3.56Å; K601-D603 PolarHBondContact NZ-OD2 2.93Å; K601-D603 PolarHBondContact O-N 3.13Å; D603-K605 PolarHBondContact O-N 2.94Å
604I80.4Confident91.1Very high111 Ų11168 Ų6857%0.56933%0.333SS*.  trans-61.1119.9168.6-58.4175.8000108.7P530P530-I604 WeakPolarHBondContact CG-O 3.48Å
605K82.6Confident91Very high112 Ų11269.7 Ų69.749%0.48734%0.342SS..  trans-113132.7176.4-55.8179.5-164.5162.40110Y527 P530 D603Y527-K605 HydrophobicContact CD1-CB 3.52Å; Y527-K605 HydrophobicContact CD1-CD 4.11Å; Y527-K605 HydrophobicContact CE1-CB 4.27Å; Y527-K605 HydrophobicContact CG-CB 4.11Å; Y527-K605 HydrophobicContact CG-CD 4.08Å; P530-K605 HydrophobicContact CG-CG 4.45Å; D603-K605 PolarHBondContact O-N 2.94Å
606E88.3Confident91.2Very high102 Ų10265.5 Ų65.548%0.47731%0.313SS..PPolyproline II helixtrans-100.6134177.1-66.9172-144.800110.2Y527 Y528 H1016Y527-E606 CarbonylContact C-O 3.53Å; Y527-E606 VanDerWaalsContact CA-O 3.29Å; Y527-E606 WeakPolarHBondContact CA-O 3.47Å; Y528-E606 HydrophobicContact CD2-CB 4.4Å; Y528-E606 PolarHBondContact N-O 3.24Å; E606-H1016 IonicContact OE2-CE1 2.72Å; E606-H1016 PolarHBondContact OE2-CE1 3.1Å; E606-H1016 IonicContact OE2-ND1 3.91Å; E606-H1016 IonicContact OE2-NE2 3.55Å
607K90.1Very high91.4Very high119 Ų11961.9 Ų61.952%0.51730%0.299SS..BIsolated β-bridgetrans-71.5143.7178.4-64-170.2-171.7-166.90110.3E525 Y526 Y527E525-K607 WeakPolarHBondContact OE1-CE 3.47Å; E525-K607 IonicContact OE1-NZ 3.3Å; E525-K607 PolarHBondContact OE1-NZ 3.05Å; Y526-K607 WeakPolarHBondContact O-CA 3.27Å; Y527-K607 HydrophobicContact CD1-CG 3.94Å; Y527-K607 HydrophobicContact CE1-CD 4.35Å; Y527-K607 HydrophobicContact CE1-CG 3.51Å; Y527-K607 WeakPolarHBondContact OH-CE 3.38Å
608E94Very high91.5Very high4 Ų461.6 Ų61.62%0.01930%0.297CS..PPolyproline II helixtrans-64.2135.9174.9-78.1-169.5-17100111.8Y526 Y528 V623 R1023 R1024Y526-E608 VanDerWaalsContact CB-CD 3.49Å; Y526-E608 PolarHBondContact O-N 3.42Å; Y528-E608 HydrophobicContact CD2-CG 4.39Å; Y528-E608 HydrophobicContact CE1-CG 4.29Å; Y528-E608 HydrophobicContact CE2-CB 4.46Å; Y528-E608 HydrophobicContact CE2-CG 3.95Å; E608-V623 WeakPolarHBondContact OE2-CB 3.34Å; E608-R1023 VanDerWaalsContact CD-NH1 3.28Å; E608-R1023 IonicContact OE1-CZ 2.64Å; E608-R1023 IonicContact OE1-NH1 3.2Å; E608-R1023 PolarHBondContact OE1-NH1 2.6Å; E608-R1023 IonicContact OE1-NH2 2.98Å; E608-R1023 IonicContact OE2-CZ 3.22Å; E608-R1023 VanDerWaalsContact OE2-CZ 3.32Å; E608-R1023 IonicContact OE2-NH1 3.31Å; E608-R1023 PolarHBondContact OE2-NH1 2.81Å; E608-R1023 IonicContact OE2-NH2 2.93Å; E608-R1023 PolarHBondContact OE2-NH2 2.99Å; E608-R1024 IonicContact OE1-CZ 3.51Å; E608-R1024 IonicContact OE1-NE 2.68Å; E608-R1024 PolarHBondContact OE1-NE 2.67Å; E608-R1024 IonicContact OE1-NH2 3.75Å; E608-R1024 PolarHBondContact OE1-NH2 3.31Å
609P94.1Very high91.5Very high55 Ų5558.6 Ų58.636%0.35728%0.283SS..PPolyproline II helixtrans-68.3144.9179.527.3-34.6000111.8R622P609-R622 HydrophobicContact CG-CB 4.14Å; P609-R622 WeakPolarHBondContact O-CB 3.43Å; P609-R622 PolarHBondContact O-N 3.31Å
610F95.2Very high91.6Very high50 Ų5053.7 Ų53.722%0.21926%0.261CS..EExtended strand (participates in β ladder)trans-97.5150.6173.7-69.2-92.3000112.1W473 K619 W620 H621W473-F610 HydrophobicContact CH2-CE1 4.01Å; W473-F610 HydrophobicContact CH2-CZ 4.32Å; W473-F610 HydrophobicContact CZ2-CE1 4Å; W473-F610 HydrophobicContact CZ3-CE1 4.38Å; W473-F610 HydrophobicContact CZ3-CZ 4.29Å; F610-K619 HydrophobicContact CB-CG 4.03Å; F610-K619 HydrophobicContact CD1-CD 4.12Å; F610-K619 HydrophobicContact CD1-CG 3.29Å; F610-K619 HydrophobicContact CE1-CD 4.29Å; F610-K619 HydrophobicContact CE1-CG 3.79Å; F610-K619 HydrophobicContact CG-CD 4.35Å; F610-K619 HydrophobicContact CG-CG 3.74Å; F610-W620 CarbonylContact C-O 3.54Å; F610-W620 VanDerWaalsContact CA-O 3.3Å; F610-W620 WeakPolarHBondContact CA-O 3.49Å; F610-H621 AromaticContact CE1-CD2 3.54Å; F610-H621 AromaticContact CE1-CE1 3.68Å; F610-H621 AromaticContact CE1-CG 3.84Å; F610-H621 AromaticContact CE1-ND1 3.93Å; F610-H621 AromaticContact CE1-NE2 3.46Å; F610-H621 WeakPolarHBondContact CE1-NE2 3.28Å; F610-H621 AromaticContact CZ-CD2 3.55Å; F610-H621 AromaticContact CZ-CE1 3.83Å; F610-H621 AromaticContact CZ-NE2 3.23Å; F610-H621 WeakPolarHBondContact CZ-NE2 3.34Å
611V95.5Very high91.8Very high20 Ų2052.5 Ų52.512%0.12125%0.253CS..EExtended strand (participates in β ladder)trans-124150169.4-63.20000109.6W620 R622 A625 Y627 F636V611-W620 HydrophobicContact CG2-CB 4.46Å; V611-W620 PolarHBondContact N-O 3.08Å; V611-W620 PolarHBondContact O-N 3.43Å; V611-R622 HydrophobicContact CG1-CB 4.08Å; V611-R622 HydrophobicContact CG1-CG 3.96Å; V611-A625 HydrophobicContact CG2-CB 3.68Å; V611-Y627 HydrophobicContact CB-CD1 4.5Å; V611-Y627 HydrophobicContact CG1-CD1 3.99Å; V611-Y627 HydrophobicContact CG1-CE1 4.37Å; V611-F636 HydrophobicContact CG2-CB 4.43Å; V611-F636 HydrophobicContact CG2-CD1 3.81Å; V611-F636 HydrophobicContact CG2-CE1 4.24Å; V611-F636 HydrophobicContact CG2-CG 4.08Å
612F95.7Very high92Very high106 Ų10652.4 Ų52.447%0.46525%0.25SS..EExtended strand (participates in β ladder)trans-106.4137-175.8-60.8-85.9000111.2K614 G617 K619F612-K614 PolarHBondContact O-N 3.35Å; F612-G617 WeakPolarHBondContact CD1-O 3.13Å; F612-K619 HydrophobicContact CD1-CB 4.13Å; F612-K619 HydrophobicContact CE1-CB 3.92Å; F612-K619 HydrophobicContact CE1-CG 4.39Å
613C95.4Very high92.4Very high2 Ų252 Ų521%0.01425%0.248CC..  trans-71.4119.1176.9178.20000111.2H615 C616 G617 R618 F636 C638C613-H615 PolarHBondContact O-N 2.82Å; C613-H615 VanDerWaalsContact O-N 3.14Å; C613-C616 PolarHBondContact O-N 3.4Å; C613-G617 WeakPolarHBondContact O-CA 3.45Å; C613-G617 PolarHBondContact O-N 2.78Å; C613-R618 PolarHBondContact N-O 3.03Å; C613-F636 CarbonylContact C-O 3.56Å; C613-F636 WeakPolarHBondContact CA-O 3.22Å; C613-F636 HydrophobicContact CB-CD1 4.19Å; C613-F636 HydrophobicContact CB-CE1 4.11Å; C613-C638 HydrophobicContact CB-CB 4.05Å; C613-C638 PolarHBondContact SG-N 2.85Å
614K92.2Very high92.9Very high117 Ų11750.5 Ų50.551%0.50924%0.242SC..THydrogen-bonded Turntrans-54.9-32.5-179.9-174.7175.5-177.1-178.80113.8F612 D634 F636F612-K614 PolarHBondContact O-N 3.35Å; K614-D634 WeakPolarHBondContact CD-O 3.08Å; K614-D634 WeakPolarHBondContact CE-O 3.32Å; K614-D634 PolarHBondContact NZ-O 3.4Å; K614-F636 PolarHBondContact N-O 2.97Å
615H91.2Very high93.6Very high72 Ų7245.4 Ų45.433%0.33322%0.217SC..THydrogen-bonded Turntrans-81.2-43.2-179.9-96.3-87.7000114.3R404 C613 C641R404-H615 CarbonylContact C-O 3.51Å; R404-H615 VanDerWaalsContact O-O 3.06Å; C613-H615 PolarHBondContact O-N 2.82Å; C613-H615 VanDerWaalsContact O-N 3.14Å; H615-C641 HydrophobicContact CB-CB 4.18Å
616C93.8Very high94.2Very high5 Ų541.5 Ų41.53%0.03420%0.201CC..THydrogen-bonded Turntrans-122.24.1-170.567.90000115.3R404 R406 C613 R618 C641R404-C616 WeakPolarHBondContact O-CA 3.39Å; R406-C616 WeakPolarHBondContact CB-O 3.16Å; R406-C616 PolarHBondContact N-O 3.05Å; C613-C616 PolarHBondContact O-N 3.4Å; C616-R618 PolarHBondContact O-N 2.58Å; C616-R618 PolarHBondContact SG-NH1 2.93Å; C616-C641 PolarHBondContact SG-SG 2.82Å
617G93.2Very high94.5Very high22 Ų2237.3 Ų37.323%0.22718%0.181CC..  trans72.4-16.7-179.600000116.3F612 C613 K619F612-G617 WeakPolarHBondContact CD1-O 3.13Å; C613-G617 WeakPolarHBondContact O-CA 3.45Å; C613-G617 PolarHBondContact O-N 2.78Å; G617-K619 PolarHBondContact O-N 2.68Å
618R94.5Very high94.6Very high9 Ų931.8 Ų31.83%0.03416%0.157CC..  trans-53.6129-174.3-69.7-175.9-179100.6-22113.5W408 L518 G519 F520 C613 C616 H640W408-R618 HydrophobicContact CZ2-CG 4.3Å; L518-R618 VanDerWaalsContact O-CZ 3.25Å; L518-R618 PolarHBondContact O-NE 2.8Å; L518-R618 PolarHBondContact O-NH2 2.7Å; G519-R618 WeakPolarHBondContact O-CD 3.42Å; F520-R618 HydrophobicContact CD1-CB 3.87Å; F520-R618 HydrophobicContact CD1-CG 4.18Å; F520-R618 HydrophobicContact CE1-CB 3.78Å; F520-R618 HydrophobicContact CE1-CG 3.87Å; F520-R618 HydrophobicContact CZ-CG 4.39Å; C613-R618 PolarHBondContact N-O 3.03Å; C616-R618 PolarHBondContact O-N 2.58Å; C616-R618 PolarHBondContact SG-NH1 2.93Å; R618-H640 PolarHBondContact NH1-CD2 2.53Å; R618-H640 VanDerWaalsContact NH1-CD2 3.33Å; R618-H640 PolarHBondContact NH2-CD2 2.8Å; R618-H640 PolarHBondContact NH2-NE2 2.7Å
619K93.8Very high94.4Very high33 Ų3337.2 Ų37.214%0.14318%0.182CC..EExtended strand (participates in β ladder)trans-68.3120.2173.2170.4178.6163.3-165.10111.2W473 D477 F520 F610 F612 G617W473-K619 HydrophobicContact CB-CD 4.21Å; W473-K619 HydrophobicContact CD2-CD 4.04Å; W473-K619 HydrophobicContact CG-CD 3.68Å; W473-K619 HydrophobicContact CG-CG 4.38Å; W473-K619 PolarHBondContact NE1-O 3.04Å; D477-K619 IonicContact OD2-NZ 3.54Å; D477-K619 PolarHBondContact OD2-NZ 2.86Å; F520-K619 VanDerWaalsContact CD1-O 3.29Å; F520-K619 WeakPolarHBondContact CD1-O 3.39Å; F610-K619 HydrophobicContact CB-CG 4.03Å; F610-K619 HydrophobicContact CD1-CD 4.12Å; F610-K619 HydrophobicContact CD1-CG 3.29Å; F610-K619 HydrophobicContact CE1-CD 4.29Å; F610-K619 HydrophobicContact CE1-CG 3.79Å; F610-K619 HydrophobicContact CG-CD 4.35Å; F610-K619 HydrophobicContact CG-CG 3.74Å; F612-K619 HydrophobicContact CD1-CB 4.13Å; F612-K619 HydrophobicContact CE1-CB 3.92Å; F612-K619 HydrophobicContact CE1-CG 4.39Å; G617-K619 PolarHBondContact O-N 2.68Å
620W96.2Very high94.1Very high18 Ų1838.7 Ų38.77%0.06818%0.184CC..EExtended strand (participates in β ladder)trans-129.5139.3180-84.352.3000110.5G519 C521 F610 V611 R622 A625 F636 C638 N639G519-W620 WeakPolarHBondContact O-CZ2 3.43Å; G519-W620 PolarHBondContact O-NE1 2.83Å; G519-W620 VanDerWaalsContact O-NE1 3.17Å; C521-W620 HydrophobicContact CB-CD2 3.78Å; C521-W620 HydrophobicContact CB-CE3 3.58Å; C521-W620 HydrophobicContact CB-CG 4.31Å; C521-W620 HydrophobicContact CB-CH2 4.3Å; C521-W620 HydrophobicContact CB-CZ2 4.49Å; C521-W620 HydrophobicContact CB-CZ3 3.86Å; F610-W620 CarbonylContact C-O 3.54Å; F610-W620 VanDerWaalsContact CA-O 3.3Å; F610-W620 WeakPolarHBondContact CA-O 3.49Å; V611-W620 HydrophobicContact CG2-CB 4.46Å; V611-W620 PolarHBondContact N-O 3.08Å; V611-W620 PolarHBondContact O-N 3.43Å; W620-R622 PolarHBondContact O-N 2.78Å; W620-A625 HydrophobicContact CE3-CB 4.44Å; W620-F636 HydrophobicContact CB-CE1 3.72Å; W620-F636 HydrophobicContact CB-CZ 4.09Å; W620-F636 HydrophobicContact CD2-CE1 4Å; W620-F636 AromaticContact CD2-CZ 3.69Å; W620-F636 HydrophobicContact CD2-CZ 3.69Å; W620-F636 HydrophobicContact CE3-CE1 4.37Å; W620-F636 AromaticContact CE3-CZ 3.63Å; W620-F636 HydrophobicContact CE3-CZ 3.63Å; W620-F636 AromaticContact CG-CE1 3.69Å; W620-F636 HydrophobicContact CG-CE1 3.69Å; W620-F636 AromaticContact CG-CZ 3.88Å; W620-F636 HydrophobicContact CG-CZ 3.88Å; W620-F636 HydrophobicContact CZ3-CZ 4.39Å; W620-C638 HydrophobicContact CD2-CB 4Å; W620-C638 HydrophobicContact CE3-CB 4.49Å; W620-C638 HydrophobicContact CH2-CB 4.26Å; W620-C638 HydrophobicContact CZ2-CB 3.7Å; W620-N639 HydrophobicContact CH2-CB 4.32Å
621H96.8Very high93.7Very high2 Ų237.2 Ų37.21%0.00918%0.179CC..EExtended strand (participates in β ladder)trans-61133.3172.8-63100.3000110.7W473 C521 C522 R524 Y526 F610 V623 C624 A625W473-H621 AromaticContact CH2-CE1 3.86Å; C521-H621 PolarHBondContact SG-N 3.19Å; C522-H621 PolarHBondContact SG-ND1 3.36Å; C522-H621 VanDerWaalsContact SG-ND1 3.41Å; R524-H621 PolarHBondContact O-CE1 3.03Å; R524-H621 PolarHBondContact O-NE2 3.02Å; Y526-H621 AromaticContact CD2-CE1 3.7Å; Y526-H621 AromaticContact CD2-ND1 3.93Å; Y526-H621 AromaticContact CD2-NE2 3.77Å; F610-H621 AromaticContact CE1-CD2 3.54Å; F610-H621 AromaticContact CE1-CE1 3.68Å; F610-H621 AromaticContact CE1-CG 3.84Å; F610-H621 AromaticContact CE1-ND1 3.93Å; F610-H621 AromaticContact CE1-NE2 3.46Å; F610-H621 WeakPolarHBondContact CE1-NE2 3.28Å; F610-H621 AromaticContact CZ-CD2 3.55Å; F610-H621 AromaticContact CZ-CE1 3.83Å; F610-H621 AromaticContact CZ-NE2 3.23Å; F610-H621 WeakPolarHBondContact CZ-NE2 3.34Å; H621-V623 PolarHBondContact O-N 2.96Å; H621-C624 HydrophobicContact CB-CB 4.05Å; H621-C624 CarbonylContact O-C 3.58Å; H621-C624 WeakPolarHBondContact O-CA 3.39Å; H621-C624 PolarHBondContact O-N 3.46Å; H621-A625 WeakPolarHBondContact O-CB 3.46Å; H621-A625 PolarHBondContact O-N 2.85Å
622R95.7Very high93.4Very high67 Ų6737.4 Ų37.425%0.25318%0.177SC..Hα-helixtrans-53.9-40-178.1-167.6-178.4-169.1-1609112.2P609 V611 W620 A625 I626 Y627 E630 Y1027P609-R622 HydrophobicContact CG-CB 4.14Å; P609-R622 WeakPolarHBondContact O-CB 3.43Å; P609-R622 PolarHBondContact O-N 3.31Å; V611-R622 HydrophobicContact CG1-CB 4.08Å; V611-R622 HydrophobicContact CG1-CG 3.96Å; W620-R622 PolarHBondContact O-N 2.78Å; R622-A625 PolarHBondContact O-N 2.8Å; R622-I626 PolarHBondContact O-N 3.14Å; R622-I626 VanDerWaalsContact O-N 3.12Å; R622-Y627 WeakPolarHBondContact CG-O 3.47Å; R622-Y627 PolarHBondContact O-N 2.89Å; R622-E630 IonicContact NH2-OE2 2.69Å; R622-Y1027 WeakPolarHBondContact CD-OH 3.27Å; R622-Y1027 HydrophobicContact CG-CE2 4.08Å; R622-Y1027 PolarHBondContact NE-OH 3.14Å; R622-Y1027 VanDerWaalsContact NE-OH 3.14Å; R622-Y1027 PolarHBondContact NH1-OH 3.43Å
623V96.7Very high92.9Very high1 Ų135 Ų351%0.00617%0.173CC..Hα-helixtrans-68.3-39.8176.3179.10000112.1E608 H621 I626 R1023 R1024 Y1027E608-V623 WeakPolarHBondContact OE2-CB 3.34Å; H621-V623 PolarHBondContact O-N 2.96Å; V623-I626 WeakPolarHBondContact O-CG1 3.02Å; V623-I626 PolarHBondContact O-N 3.17Å; V623-R1023 HydrophobicContact CG1-CB 4.15Å; V623-R1023 HydrophobicContact CG1-CG 4.26Å; V623-R1023 WeakPolarHBondContact CG1-O 3.38Å; V623-R1024 HydrophobicContact CG1-CG 4Å; V623-Y1027 HydrophobicContact CB-CG 4.4Å; V623-Y1027 HydrophobicContact CG1-CG 4.4Å; V623-Y1027 HydrophobicContact CG2-CD1 4Å; V623-Y1027 HydrophobicContact CG2-CE1 4.46Å; V623-Y1027 HydrophobicContact CG2-CG 4.07Å
624C95.8Very high92.4Very high34 Ų3438.4 Ų38.423%0.2319%0.191CC..Hα-helixtrans-71.8-32.6174-78.90000113.2C521 C522 H621 I626 R1023C521-C624 HydrophobicContact CB-CB 3.56Å; C522-C624 VanDerWaalsContact SG-SG 3.6Å; H621-C624 HydrophobicContact CB-CB 4.05Å; H621-C624 CarbonylContact O-C 3.58Å; H621-C624 WeakPolarHBondContact O-CA 3.39Å; H621-C624 PolarHBondContact O-N 3.46Å; C624-I626 PolarHBondContact O-N 3.17Å; C624-R1023 PolarHBondContact SG-NE 3.02Å; C624-R1023 PolarHBondContact SG-NH2 3.25Å
625A94.9Very high92.2Very high4 Ų434 Ų343%0.03318%0.179CC..Hα-helixtrans-68.4-23.7174.600000112.3V611 W620 H621 R622 Y627 F636 R649V611-A625 HydrophobicContact CG2-CB 3.68Å; W620-A625 HydrophobicContact CE3-CB 4.44Å; H621-A625 WeakPolarHBondContact O-CB 3.46Å; H621-A625 PolarHBondContact O-N 2.85Å; R622-A625 PolarHBondContact O-N 2.8Å; A625-Y627 VanDerWaalsContact C-N 3.33Å; A625-F636 HydrophobicContact CB-CD2 3.95Å; A625-F636 HydrophobicContact CB-CE1 4.26Å; A625-F636 HydrophobicContact CB-CE2 3.5Å; A625-F636 HydrophobicContact CB-CZ 3.68Å; A625-R649 PolarHBondContact O-NH2 3.31Å
626I94.8Very high92.4Very high29 Ų2930.9 Ų30.915%0.14916%0.164CC..THydrogen-bonded Turntrans49.159.8-170.6-51.5175.6000108R622 V623 C624 W632 Q734 K1026 L1030R622-I626 PolarHBondContact O-N 3.14Å; R622-I626 VanDerWaalsContact O-N 3.12Å; V623-I626 WeakPolarHBondContact O-CG1 3.02Å; V623-I626 PolarHBondContact O-N 3.17Å; C624-I626 PolarHBondContact O-N 3.17Å; I626-W632 VanDerWaalsContact O-CZ3 3.22Å; I626-W632 WeakPolarHBondContact O-CZ3 3.32Å; I626-Q734 HydrophobicContact CD1-CG 4.32Å; I626-Q734 HydrophobicContact CG2-CG 4.25Å; I626-K1026 HydrophobicContact CD1-CB 4.24Å; I626-K1026 HydrophobicContact CD1-CD 3.89Å; I626-L1030 HydrophobicContact CG2-CD2 4.05Å
627Y94.8Very high92.4Very high14 Ų1432.7 Ų32.76%0.05517%0.173CC..  trans-129.5126.2-169.8174.7-92.2000111.8V611 R622 A625 E629 W632 G635 F636V611-Y627 HydrophobicContact CB-CD1 4.5Å; V611-Y627 HydrophobicContact CG1-CD1 3.99Å; V611-Y627 HydrophobicContact CG1-CE1 4.37Å; R622-Y627 WeakPolarHBondContact CG-O 3.47Å; R622-Y627 PolarHBondContact O-N 2.89Å; A625-Y627 VanDerWaalsContact C-N 3.33Å; Y627-E629 HydrophobicContact CE1-CB 3.95Å; Y627-W632 HydrophobicContact CD2-CB 4.2Å; Y627-W632 AromaticContact CD2-CE3 4Å; Y627-W632 HydrophobicContact CD2-CE3 4Å; Y627-W632 HydrophobicContact CE2-CB 3.73Å; Y627-W632 PolarHBondContact OH-O 3.29Å; Y627-G635 WeakPolarHBondContact OH-CA 3.42Å; Y627-F636 HydrophobicContact CD1-CB 4.38Å; Y627-F636 HydrophobicContact CD2-CB 3.69Å; Y627-F636 HydrophobicContact CD2-CD2 4.15Å; Y627-F636 HydrophobicContact CD2-CG 4.36Å; Y627-F636 HydrophobicContact CE1-CB 4.42Å; Y627-F636 HydrophobicContact CE2-CB 3.72Å; Y627-F636 HydrophobicContact CG-CB 4.02Å; Y627-F636 HydrophobicContact CG-CD2 4.34Å; Y627-F636 HydrophobicContact CG-CG 4.48Å
628L92.7Very high92.4Very high4 Ų431.6 Ų31.62%0.02116%0.162CC..  trans-123.3126.4170.6-165.761.2000106.2E630 I631 W632 L1030 V1031 Y1034L628-E630 WeakPolarHBondContact CD1-OE1 3.44Å; L628-E630 WeakPolarHBondContact CD1-OE2 3.33Å; L628-E630 HydrophobicContact CG-CB 4.27Å; L628-E630 VanDerWaalsContact CG-OE2 3.28Å; L628-E630 WeakPolarHBondContact CG-OE2 3.36Å; L628-E630 PolarHBondContact O-N 3.39Å; L628-I631 HydrophobicContact CB-CB 4.41Å; L628-I631 HydrophobicContact CB-CD1 3.94Å; L628-I631 HydrophobicContact CB-CG1 3.99Å; L628-I631 HydrophobicContact CD2-CD1 3.89Å; L628-I631 HydrophobicContact CD2-CG1 4.01Å; L628-I631 HydrophobicContact CG-CD1 4.44Å; L628-I631 HydrophobicContact CG-CG1 4.29Å; L628-I631 PolarHBondContact O-N 3.47Å; L628-I631 VanDerWaalsContact O-N 3.15Å; L628-W632 PolarHBondContact O-N 2.67Å; L628-W632 VanDerWaalsContact O-N 3.11Å; L628-L1030 HydrophobicContact CB-CD2 4.02Å; L628-V1031 HydrophobicContact CD1-CG2 4.15Å; L628-V1031 HydrophobicContact CD2-CG2 4.17Å; L628-Y1034 HydrophobicContact CD2-CD1 4.02Å; L628-Y1034 HydrophobicContact CD2-CD2 4.3Å; L628-Y1034 HydrophobicContact CD2-CG 3.74Å
629E90.2Very high92.2Very high118 Ų11835.3 Ų35.355%0.55118%0.182SC*.THydrogen-bonded Turntrans-69.8-31.1-173.3-176.8171.9155.200110.9Y627 I631 W632 P633Y627-E629 HydrophobicContact CE1-CB 3.95Å; E629-I631 PolarHBondContact O-N 3Å; E629-W632 CarbonylContact O-C 3.59Å; E629-W632 PolarHBondContact O-N 3.33Å; E629-P633 VanDerWaalsContact O-CA 3.23Å; E629-P633 WeakPolarHBondContact O-CA 3.22Å; E629-P633 WeakPolarHBondContact O-CD 3.33Å
630E86.5Confident92.1Very high85 Ų8536.2 Ų36.240%0.39719%0.187SC..THydrogen-bonded Turntrans-65-17.8175-49.193.1121.500112.8R622 L628 Y1034R622-E630 IonicContact NH2-OE2 2.69Å; L628-E630 WeakPolarHBondContact CD1-OE1 3.44Å; L628-E630 WeakPolarHBondContact CD1-OE2 3.33Å; L628-E630 HydrophobicContact CG-CB 4.27Å; L628-E630 VanDerWaalsContact CG-OE2 3.28Å; L628-E630 WeakPolarHBondContact CG-OE2 3.36Å; L628-E630 PolarHBondContact O-N 3.39Å; E630-Y1034 HydrophobicContact CB-CE1 4.05Å; E630-Y1034 HydrophobicContact CB-CE2 3.8Å
631I87.5Confident92Very high19 Ų1935.4 Ų35.410%0.09718%0.184CC..THydrogen-bonded Turntrans-97.3-39.3171.2-58.4-179.4000111.3L628 E629 P633 F654 L1030 Y1034L628-I631 HydrophobicContact CB-CB 4.41Å; L628-I631 HydrophobicContact CB-CD1 3.94Å; L628-I631 HydrophobicContact CB-CG1 3.99Å; L628-I631 HydrophobicContact CD2-CD1 3.89Å; L628-I631 HydrophobicContact CD2-CG1 4.01Å; L628-I631 HydrophobicContact CG-CD1 4.44Å; L628-I631 HydrophobicContact CG-CG1 4.29Å; L628-I631 PolarHBondContact O-N 3.47Å; L628-I631 VanDerWaalsContact O-N 3.15Å; E629-I631 PolarHBondContact O-N 3Å; I631-P633 VanDerWaalsContact C-CD 3.49Å; I631-P633 WeakPolarHBondContact O-CD 3.45Å; I631-F654 HydrophobicContact CB-CD2 4.23Å; I631-F654 HydrophobicContact CB-CE2 4.34Å; I631-F654 HydrophobicContact CD1-CD2 4.08Å; I631-F654 HydrophobicContact CG1-CD2 3.66Å; I631-F654 HydrophobicContact CG1-CE2 4.03Å; I631-F654 HydrophobicContact CG2-CD2 3.91Å; I631-F654 HydrophobicContact CG2-CE2 4.2Å; I631-L1030 HydrophobicContact CD1-CD1 3.66Å; I631-L1030 HydrophobicContact CD1-CD2 4.19Å; I631-L1030 HydrophobicContact CD1-CG 3.78Å; I631-Y1034 HydrophobicContact CD1-CD2 4.3Å; I631-Y1034 HydrophobicContact CG1-CD2 3.67Å; I631-Y1034 HydrophobicContact CG1-CE2 4.32Å; I631-Y1034 HydrophobicContact CG1-CG 4.37Å
632W90Very high91.8Very high24 Ų2436.9 Ų36.99%0.09119%0.191CC..  trans-126.467.4-173.9-64.4-67.8000111.8I626 Y627 L628 E629 D634 G635 V650 N652 L1030I626-W632 VanDerWaalsContact O-CZ3 3.22Å; I626-W632 WeakPolarHBondContact O-CZ3 3.32Å; Y627-W632 HydrophobicContact CD2-CB 4.2Å; Y627-W632 AromaticContact CD2-CE3 4Å; Y627-W632 HydrophobicContact CD2-CE3 4Å; Y627-W632 HydrophobicContact CE2-CB 3.73Å; Y627-W632 PolarHBondContact OH-O 3.29Å; L628-W632 PolarHBondContact O-N 2.67Å; L628-W632 VanDerWaalsContact O-N 3.11Å; E629-W632 CarbonylContact O-C 3.59Å; E629-W632 PolarHBondContact O-N 3.33Å; W632-D634 PolarHBondContact O-N 3.26Å; W632-D634 VanDerWaalsContact O-N 3.1Å; W632-G635 PolarHBondContact O-N 2.84Å; W632-V650 PolarHBondContact NE1-O 2.85Å; W632-N652 HydrophobicContact CZ2-CB 4.05Å; W632-L1030 HydrophobicContact CH2-CD1 4.09Å; W632-L1030 HydrophobicContact CH2-CD2 4.41Å; W632-L1030 HydrophobicContact CZ3-CD1 4.38Å; W632-L1030 HydrophobicContact CZ3-CD2 3.96Å
633P85.1Confident91.5Very high57 Ų5739 Ų3937%0.3721%0.211SC..THydrogen-bonded Turntrans-66.8-16-17327.6-36.8000113.4E629 I631 G635 K1062E629-P633 VanDerWaalsContact O-CA 3.23Å; E629-P633 WeakPolarHBondContact O-CA 3.22Å; E629-P633 WeakPolarHBondContact O-CD 3.33Å; I631-P633 VanDerWaalsContact C-CD 3.49Å; I631-P633 WeakPolarHBondContact O-CD 3.45Å; P633-G635 PolarHBondContact O-N 2.91Å; P633-K1062 HydrophobicContact CB-CD 4.49Å; P633-K1062 HydrophobicContact CG-CB 4.42Å; P633-K1062 HydrophobicContact CG-CD 4.31Å
634D84.4Confident91.2Very high73 Ų7343.5 Ų43.539%0.3924%0.236SC..THydrogen-bonded Turntrans-70.1-8172.6-66.9-63.8000113.7K614 W632 Q1063K614-D634 WeakPolarHBondContact CD-O 3.08Å; K614-D634 WeakPolarHBondContact CE-O 3.32Å; K614-D634 PolarHBondContact NZ-O 3.4Å; W632-D634 PolarHBondContact O-N 3.26Å; W632-D634 VanDerWaalsContact O-N 3.1Å; D634-Q1063 PolarHBondContact OD1-NE2 3.47Å; D634-Q1063 PolarHBondContact OD2-NE2 3.39Å
635G87.8Confident91Very high25 Ų2548.5 Ų48.526%0.25825%0.251SS..  trans101.5156.617500000114.4Y627 W632 P633Y627-G635 WeakPolarHBondContact OH-CA 3.42Å; W632-G635 PolarHBondContact O-N 2.84Å; P633-G635 PolarHBondContact O-N 2.91Å
636F94.4Very high90.7Very high5 Ų551.4 Ų51.42%0.02228%0.281CS..  trans-68.6132.4-179.6170.1-119000112.6V611 C613 K614 W620 A625 Y627 C638V611-F636 HydrophobicContact CG2-CB 4.43Å; V611-F636 HydrophobicContact CG2-CD1 3.81Å; V611-F636 HydrophobicContact CG2-CE1 4.24Å; V611-F636 HydrophobicContact CG2-CG 4.08Å; C613-F636 CarbonylContact C-O 3.56Å; C613-F636 WeakPolarHBondContact CA-O 3.22Å; C613-F636 HydrophobicContact CB-CD1 4.19Å; C613-F636 HydrophobicContact CB-CE1 4.11Å; K614-F636 PolarHBondContact N-O 2.97Å; W620-F636 HydrophobicContact CB-CE1 3.72Å; W620-F636 HydrophobicContact CB-CZ 4.09Å; W620-F636 HydrophobicContact CD2-CE1 4Å; W620-F636 AromaticContact CD2-CZ 3.69Å; W620-F636 HydrophobicContact CD2-CZ 3.69Å; W620-F636 HydrophobicContact CE3-CE1 4.37Å; W620-F636 AromaticContact CE3-CZ 3.63Å; W620-F636 HydrophobicContact CE3-CZ 3.63Å; W620-F636 AromaticContact CG-CE1 3.69Å; W620-F636 HydrophobicContact CG-CE1 3.69Å; W620-F636 AromaticContact CG-CZ 3.88Å; W620-F636 HydrophobicContact CG-CZ 3.88Å; W620-F636 HydrophobicContact CZ3-CZ 4.39Å; A625-F636 HydrophobicContact CB-CD2 3.95Å; A625-F636 HydrophobicContact CB-CE1 4.26Å; A625-F636 HydrophobicContact CB-CE2 3.5Å; A625-F636 HydrophobicContact CB-CZ 3.68Å; Y627-F636 HydrophobicContact CD1-CB 4.38Å; Y627-F636 HydrophobicContact CD2-CB 3.69Å; Y627-F636 HydrophobicContact CD2-CD2 4.15Å; Y627-F636 HydrophobicContact CD2-CG 4.36Å; Y627-F636 HydrophobicContact CE1-CB 4.42Å; Y627-F636 HydrophobicContact CE2-CB 3.72Å; Y627-F636 HydrophobicContact CG-CB 4.02Å; Y627-F636 HydrophobicContact CG-CD2 4.34Å; Y627-F636 HydrophobicContact CG-CG 4.48Å; F636-C638 HydrophobicContact CE1-CB 3.75Å; F636-C638 HydrophobicContact CE2-CB 4.36Å; F636-C638 VanDerWaalsContact CZ-CA 3.44Å; F636-C638 HydrophobicContact CZ-CB 3.48Å; F636-C638 VanDerWaalsContact CZ-CB 3.48Å
637I93.7Very high90.4Very high43 Ų4352.5 Ų52.522%0.22129%0.287CS..  trans-118.3128.1165-52176.6000108C641 I642 L647I637-C641 HydrophobicContact CG2-CB 3.77Å; I637-I642 HydrophobicContact CG2-CG1 4.02Å; I637-L647 HydrophobicContact CG2-CD1 4.04Å
638C94.4Very high89.8Confident0 Ų061.3 Ų61.30%033%0.325CS..  trans-81.8155.9-177.473.50000113.2C613 W620 F636 H640 C641 I642C613-C638 HydrophobicContact CB-CB 4.05Å; C613-C638 PolarHBondContact SG-N 2.85Å; W620-C638 HydrophobicContact CD2-CB 4Å; W620-C638 HydrophobicContact CE3-CB 4.49Å; W620-C638 HydrophobicContact CH2-CB 4.26Å; W620-C638 HydrophobicContact CZ2-CB 3.7Å; F636-C638 HydrophobicContact CE1-CB 3.75Å; F636-C638 HydrophobicContact CE2-CB 4.36Å; F636-C638 VanDerWaalsContact CZ-CA 3.44Å; F636-C638 HydrophobicContact CZ-CB 3.48Å; F636-C638 VanDerWaalsContact CZ-CB 3.48Å; C638-H640 PolarHBondContact O-N 3.2Å; C638-C641 WeakPolarHBondContact O-CB 3.4Å; C638-C641 PolarHBondContact O-N 3.25Å; C638-I642 PolarHBondContact O-N 3.01Å
639N91Very high89.3Confident86 Ų8665.4 Ų65.446%0.4634%0.34SS..Hα-helixtrans-58.8-33.6-176-665.7000113W620 C641 I642 V643W620-N639 HydrophobicContact CH2-CB 4.32Å; N639-C641 PolarHBondContact O-N 3.25Å; N639-I642 PolarHBondContact O-N 3.48Å; N639-V643 WeakPolarHBondContact O-CG2 3.49Å; N639-V643 PolarHBondContact O-N 2.87Å
640H91.8Very high89Confident53 Ų5364 Ų6425%0.24534%0.339CS..Hα-helixtrans-64.8-36.4175.1-179.4103.4000112.4R618 C638 N644R618-H640 PolarHBondContact NH1-CD2 2.53Å; R618-H640 VanDerWaalsContact NH1-CD2 3.33Å; R618-H640 PolarHBondContact NH2-CD2 2.8Å; R618-H640 PolarHBondContact NH2-NE2 2.7Å; C638-H640 PolarHBondContact O-N 3.2Å; H640-N644 PolarHBondContact CE1-ND2 3.45Å; H640-N644 PolarHBondContact NE2-ND2 3.36Å; H640-N644 WeakPolarHBondContact O-CB 3.45Å; H640-N644 PolarHBondContact O-N 3.41Å; H640-N644 PolarHBondContact O-OD1 3.5Å
641C93.9Very high88.9Confident0 Ų066.5 Ų66.50%035%0.351CS..Hα-helixtrans-73.6-37.4172.3-74.70000112.6H615 C616 I637 C638 N639 Y645 L647H615-C641 HydrophobicContact CB-CB 4.18Å; C616-C641 PolarHBondContact SG-SG 2.82Å; I637-C641 HydrophobicContact CG2-CB 3.77Å; C638-C641 WeakPolarHBondContact O-CB 3.4Å; C638-C641 PolarHBondContact O-N 3.25Å; N639-C641 PolarHBondContact O-N 3.25Å; C641-Y645 HydrophobicContact CB-CD2 4.05Å; C641-Y645 HydrophobicContact CB-CE2 4.41Å; C641-Y645 WeakPolarHBondContact O-CB 3.27Å; C641-Y645 WeakPolarHBondContact O-CD2 3.49Å; C641-Y645 PolarHBondContact O-N 2.8Å; C641-Y645 VanDerWaalsContact O-N 3.08Å; C641-L647 HydrophobicContact CB-CD1 4.43Å
642I91.4Very high89Confident33 Ų3366.5 Ų66.517%0.16935%0.351CS..Hα-helixtrans-58-49.9176-74.1166.1000110.4I637 C638 N639 G646 L647 R649I637-I642 HydrophobicContact CG2-CG1 4.02Å; C638-I642 PolarHBondContact O-N 3.01Å; N639-I642 PolarHBondContact O-N 3.48Å; I642-G646 CarbonylContact O-C 2.94Å; I642-G646 WeakPolarHBondContact O-CA 3.44Å; I642-G646 PolarHBondContact O-N 3.2Å; I642-L647 WeakPolarHBondContact CG2-O 3.4Å; I642-L647 PolarHBondContact O-N 3.44Å; I642-L647 VanDerWaalsContact O-N 3.1Å; I642-R649 HydrophobicContact CD1-CB 4.01Å; I642-R649 HydrophobicContact CD1-CG 3.82Å
643V90.7Very high88.7Confident111 Ų11169.7 Ų69.767%0.67336%0.363SS*.Hα-helixtrans-68.6-55.4177.8175.40000111.5N639 Y645 G646N639-V643 WeakPolarHBondContact O-CG2 3.49Å; N639-V643 PolarHBondContact O-N 2.87Å; V643-Y645 VanDerWaalsContact C-N 3.32Å; V643-Y645 PolarHBondContact O-N 3.47Å; V643-G646 PolarHBondContact O-N 2.97Å
644N90.4Very high89Confident97 Ų9768.7 Ų68.752%0.51935%0.353SS..Hα-helixtrans-72.9-21.2-167.9-6614.8000114.5H640H640-N644 PolarHBondContact CE1-ND2 3.45Å; H640-N644 PolarHBondContact NE2-ND2 3.36Å; H640-N644 WeakPolarHBondContact O-CB 3.45Å; H640-N644 PolarHBondContact O-N 3.41Å; H640-N644 PolarHBondContact O-OD1 3.5Å
645Y90.3Very high89.5Confident139 Ų13966.1 Ų66.155%0.54534%0.34SS..THydrogen-bonded Turntrans-114.510178.2-55.7-63.4000113C641 V643 L647C641-Y645 HydrophobicContact CB-CD2 4.05Å; C641-Y645 HydrophobicContact CB-CE2 4.41Å; C641-Y645 WeakPolarHBondContact O-CB 3.27Å; C641-Y645 WeakPolarHBondContact O-CD2 3.49Å; C641-Y645 PolarHBondContact O-N 2.8Å; C641-Y645 VanDerWaalsContact O-N 3.08Å; V643-Y645 VanDerWaalsContact C-N 3.32Å; V643-Y645 PolarHBondContact O-N 3.47Å; Y645-L647 PolarHBondContact O-N 3.05Å; Y645-L647 VanDerWaalsContact O-N 3.14Å
646G89Confident89.9Confident64 Ų6465 Ų6566%0.6633%0.328SS*.THydrogen-bonded Turntrans6317.2178.600000115.2I642 V643I642-G646 CarbonylContact O-C 2.94Å; I642-G646 WeakPolarHBondContact O-CA 3.44Å; I642-G646 PolarHBondContact O-N 3.2Å; V643-G646 PolarHBondContact O-N 2.97Å
647L88.9Confident89.9Confident52 Ų5269.9 Ų69.927%0.27235%0.349SS..PPolyproline II helixtrans-71.2143.2-176.3-53.2168.6000110.1I637 C641 I642 Y645I637-L647 HydrophobicContact CG2-CD1 4.04Å; C641-L647 HydrophobicContact CB-CD1 4.43Å; I642-L647 WeakPolarHBondContact CG2-O 3.4Å; I642-L647 PolarHBondContact O-N 3.44Å; I642-L647 VanDerWaalsContact O-N 3.1Å; Y645-L647 PolarHBondContact O-N 3.05Å; Y645-L647 VanDerWaalsContact O-N 3.14Å
648K82.2Confident89.8Confident199 Ų19972.3 Ų72.387%0.86536%0.359SS*.PPolyproline II helixtrans-94.8135.3172.7-66.8-177.7-179.8177.80110.4
649R82.1Confident89.6Confident91 Ų9173.4 Ų73.434%0.34336%0.364SS..PPolyproline II helixtrans-74.1135.3171.1-144.5175.5-155.6-142.7-0.6108.5A625 I642 E651A625-R649 PolarHBondContact O-NH2 3.31Å; I642-R649 HydrophobicContact CD1-CB 4.01Å; I642-R649 HydrophobicContact CD1-CG 3.82Å; R649-E651 PolarHBondContact O-N 3.32Å
650V83.1Confident89.3Confident87 Ų8774.7 Ų74.753%0.52738%0.375SS..PPolyproline II helixtrans-64.1129.5174.51780000108.9W632W632-V650 PolarHBondContact NE1-O 2.85Å
651E85.4Confident89.4Confident138 Ų13875.4 Ų75.465%0.64538%0.383SS*.PPolyproline II helixtrans-63.1137.2-175.5-164.9-159.9135.800111.9R649 R653 K658R649-E651 PolarHBondContact O-N 3.32Å; E651-R653 PolarHBondContact O-N 2.98Å; E651-K658 IonicContact OE1-NZ 3.51Å; E651-K658 PolarHBondContact OE1-NZ 3.18Å
652N89.1Confident89.4Confident19 Ų1975.9 Ų75.910%0.10239%0.387CS..PPolyproline II helixtrans-67.2124.6172.2-176.618.7000110.7W632 F654 T655 K658W632-N652 HydrophobicContact CZ2-CB 4.05Å; N652-F654 PolarHBondContact ND2-O 3.09Å; N652-F654 PolarHBondContact OD1-N 2.84Å; N652-T655 HydrophobicContact CB-CG2 4.15Å; N652-K658 PolarHBondContact O-NZ 2.93Å
653R84.5Confident89.8Confident92 Ų9280.4 Ų80.435%0.34741%0.405SS..SBendtrans-88.8-20.3174.4-63.1-177.4-177.9156.75.1113.1E651 T655 K658 Q1063 C1064E651-R653 PolarHBondContact O-N 2.98Å; R653-T655 PolarHBondContact O-N 3.42Å; R653-K658 WeakPolarHBondContact O-CD 3.02Å; R653-Q1063 VanDerWaalsContact CZ-O 3.24Å; R653-Q1063 PolarHBondContact NH1-O 3.19Å; R653-Q1063 PolarHBondContact NH2-O 3.4Å; R653-C1064 PolarHBondContact NH1-O 3.44Å
654F91.2Very high90.1Very high35 Ų3575.2 Ų75.215%0.15437%0.374CS..SBendtrans-96.873-177.2-49.7-78.7000109.8I631 N652 Y1034 H1037I631-F654 HydrophobicContact CB-CD2 4.23Å; I631-F654 HydrophobicContact CB-CE2 4.34Å; I631-F654 HydrophobicContact CD1-CD2 4.08Å; I631-F654 HydrophobicContact CG1-CD2 3.66Å; I631-F654 HydrophobicContact CG1-CE2 4.03Å; I631-F654 HydrophobicContact CG2-CD2 3.91Å; I631-F654 HydrophobicContact CG2-CE2 4.2Å; N652-F654 PolarHBondContact ND2-O 3.09Å; N652-F654 PolarHBondContact OD1-N 2.84Å; F654-Y1034 HydrophobicContact CD1-CD2 4.21Å; F654-Y1034 AromaticContact CD2-CD2 3.96Å; F654-Y1034 HydrophobicContact CD2-CD2 3.96Å; F654-Y1034 HydrophobicContact CE1-CD2 4.27Å; F654-Y1034 HydrophobicContact CE1-CE2 4.38Å; F654-Y1034 HydrophobicContact CE2-CD2 4.03Å; F654-Y1034 HydrophobicContact CE2-CE2 4.18Å; F654-Y1034 HydrophobicContact CG-CD2 4.04Å; F654-Y1034 HydrophobicContact CZ-CD2 4.17Å; F654-Y1034 HydrophobicContact CZ-CE2 4.07Å; F654-H1037 HydrophobicContact CD1-CB 3.6Å; F654-H1037 AromaticContact CD1-CG 3.99Å; F654-H1037 HydrophobicContact CE1-CB 4.33Å
655T94.8Very high90.5Very high20 Ų2070.6 Ų70.612%0.12335%0.349CS..  trans-117154.5-17862.10000112.2N652 R653 K657 K658 L659 E735 H1037N652-T655 HydrophobicContact CB-CG2 4.15Å; R653-T655 PolarHBondContact O-N 3.42Å; T655-K657 VanDerWaalsContact C-N 3.28Å; T655-K657 PolarHBondContact O-N 3.07Å; T655-K658 PolarHBondContact O-N 3.31Å; T655-K658 VanDerWaalsContact O-N 3.08Å; T655-K658 VanDerWaalsContact OG1-CD 3.3Å; T655-K658 WeakPolarHBondContact OG1-CD 3.27Å; T655-K658 VanDerWaalsContact OG1-CG 3.28Å; T655-K658 WeakPolarHBondContact OG1-CG 3.34Å; T655-K658 PolarHBondContact OG1-N 3.37Å; T655-L659 PolarHBondContact O-N 2.85Å; T655-E735 WeakPolarHBondContact CA-OE2 3.28Å; T655-E735 WeakPolarHBondContact CB-OE2 3.07Å; T655-H1037 PolarHBondContact N-NE2 2.93Å; T655-H1037 PolarHBondContact O-NE2 3.37Å
656A95.9Very high90.9Very high0 Ų067.2 Ų67.20%034%0.34CS..SBendtrans-60.7-38.5174.900000111.2K658 L659 I687 R689 F728 E735 L1033A656-K658 PolarHBondContact O-N 2.78Å; A656-L659 PolarHBondContact O-N 3.11Å; A656-L659 VanDerWaalsContact O-N 3.17Å; A656-I687 HydrophobicContact CB-CD1 4.44Å; A656-I687 HydrophobicContact CB-CG2 4.12Å; A656-R689 PolarHBondContact O-NE 3.17Å; A656-R689 VanDerWaalsContact O-NE 3.09Å; A656-F728 HydrophobicContact CB-CB 4.04Å; A656-F728 HydrophobicContact CB-CD1 3.77Å; A656-F728 HydrophobicContact CB-CD2 3.78Å; A656-F728 HydrophobicContact CB-CE1 4.09Å; A656-F728 HydrophobicContact CB-CE2 4.14Å; A656-F728 HydrophobicContact CB-CG 3.61Å; A656-F728 HydrophobicContact CB-CZ 4.28Å; A656-E735 PolarHBondContact N-OE1 2.85Å; A656-E735 PolarHBondContact N-OE2 3.37Å; A656-L1033 HydrophobicContact CB-CD1 4.23Å; A656-L1033 HydrophobicContact CB-CD2 3.91Å
657K93.9Very high91.3Very high108 Ų10867.1 Ų67.147%0.4732%0.322SS..THydrogen-bonded Turntrans-53.3-39.7172.3-69.4176.5-164.8178.50112.4T655 I687 R689 E730 E735T655-K657 VanDerWaalsContact C-N 3.28Å; T655-K657 PolarHBondContact O-N 3.07Å; K657-I687 HydrophobicContact CD-CD1 4.35Å; K657-I687 HydrophobicContact CG-CD1 3.67Å; K657-I687 HydrophobicContact CG-CG1 3.84Å; K657-I687 HydrophobicContact CG-CG2 4.45Å; K657-R689 PolarHBondContact O-NH2 3.29Å; K657-E730 IonicContact NZ-OE2 3.25Å; K657-E730 PolarHBondContact NZ-OE2 3.3Å; K657-E735 WeakPolarHBondContact CG-OE1 3.5Å; K657-E735 PolarHBondContact N-OE1 2.68Å; K657-E735 VanDerWaalsContact N-OE1 3.17Å
658K91Very high91.8Very high95 Ų9564.8 Ų64.841%0.41331%0.31SS..THydrogen-bonded Turntrans-85.7-6-177-67.6169.3-171.9169.10114.3E651 N652 R653 T655 A656E651-K658 IonicContact OE1-NZ 3.51Å; E651-K658 PolarHBondContact OE1-NZ 3.18Å; N652-K658 PolarHBondContact O-NZ 2.93Å; R653-K658 WeakPolarHBondContact O-CD 3.02Å; T655-K658 PolarHBondContact O-N 3.31Å; T655-K658 VanDerWaalsContact O-N 3.08Å; T655-K658 VanDerWaalsContact OG1-CD 3.3Å; T655-K658 WeakPolarHBondContact OG1-CD 3.27Å; T655-K658 VanDerWaalsContact OG1-CG 3.28Å; T655-K658 WeakPolarHBondContact OG1-CG 3.34Å; T655-K658 PolarHBondContact OG1-N 3.37Å; A656-K658 PolarHBondContact O-N 2.78Å
659L90.4Very high92.6Very high23 Ų2357.4 Ų57.412%0.1228%0.278CS..SBendtrans-71.2149.2171-72.6175.2000111.4T655 A656 R689 L691 L1033 L1036 H1037T655-L659 PolarHBondContact O-N 2.85Å; A656-L659 PolarHBondContact O-N 3.11Å; A656-L659 VanDerWaalsContact O-N 3.17Å; L659-R689 HydrophobicContact CB-CG 4.11Å; L659-R689 PolarHBondContact O-NE 3.39Å; L659-L691 HydrophobicContact CD1-CD2 3.71Å; L659-L1033 HydrophobicContact CD1-CD2 3.63Å; L659-L1033 HydrophobicContact CG-CD2 4.43Å; L659-L1036 HydrophobicContact CD1-CD1 4.31Å; L659-L1036 HydrophobicContact CD2-CB 4.24Å; L659-H1037 VanDerWaalsContact CD2-CD2 3.47Å; L659-H1037 WeakPolarHBondContact CD2-CD2 3.33Å; L659-H1037 WeakPolarHBondContact CD2-NE2 3.33Å
660T85.8Confident93.4Very high113 Ų11359 Ų5969%0.69329%0.288SS*.PPolyproline II helixtrans-52135.6179.3-49.60000112.5R689T660-R689 WeakPolarHBondContact O-CD 3.28Å
661T93.4Very high94.1Very high67 Ų6757 Ų5741%0.41127%0.271SS..PPolyproline II helixtrans-101.4158.1176.652.60000112.4N666 R689T661-N666 VanDerWaalsContact CB-OD1 3.26Å; T661-N666 WeakPolarHBondContact CB-OD1 3.42Å; T661-N666 WeakPolarHBondContact CG2-OD1 3.34Å; T661-R689 VanDerWaalsContact CG2-CZ 3.46Å
662C94.7Very high94.7Very high11 Ų1150.4 Ų50.47%0.07424%0.24CC..  trans-138173.517364.10000109.7S665 N666 V690 D994C662-S665 PolarHBondContact N-OG 3.42Å; C662-S665 PolarHBondContact O-N 2.99Å; C662-S665 PolarHBondContact O-OG 3.17Å; C662-S665 PolarHBondContact SG-N 3.37Å; C662-N666 WeakPolarHBondContact O-CB 3.44Å; C662-N666 PolarHBondContact O-N 3.23Å; C662-N666 PolarHBondContact O-ND2 3.07Å; C662-N666 PolarHBondContact O-OD1 3.23Å; C662-V690 VanDerWaalsContact SG-CG2 3.5Å; C662-D994 HydrophobicContact CB-CB 4.1Å; C662-D994 WeakPolarHBondContact CB-OD1 3.31Å
663K98.2Very high95.1Very high128 Ų12850 Ų5056%0.55724%0.238SC*.Hα-helixtrans-66.6-39.3-179-58.6-173.6-163.4177.90111.4N666 F667 Y789 P993 D994K663-N666 PolarHBondContact O-N 3.22Å; K663-F667 WeakPolarHBondContact O-CB 3.36Å; K663-F667 PolarHBondContact O-N 2.87Å; K663-Y789 WeakPolarHBondContact CB-OH 3.4Å; K663-P993 HydrophobicContact CB-CG 4.48Å; K663-P993 HydrophobicContact CD-CB 3.85Å; K663-P993 HydrophobicContact CD-CG 3.86Å; K663-D994 WeakPolarHBondContact CA-OD1 3.47Å; K663-D994 VanDerWaalsContact CB-OD1 3.26Å; K663-D994 WeakPolarHBondContact CB-OD1 3.41Å; K663-D994 WeakPolarHBondContact CG-OD1 3.23Å; K663-D994 PolarHBondContact N-OD1 3.37Å
664L98.5Very high95.8Very high1 Ų149.4 Ų49.41%0.00524%0.241CC..Hα-helixtrans-58.6-49.7171.7174.755.6000111.7N666 F667 L668 V690 K723 I725 Y786 Y789 D994L664-N666 VanDerWaalsContact C-N 3.33Å; L664-N666 PolarHBondContact O-N 3.23Å; L664-F667 PolarHBondContact O-N 2.69Å; L664-L668 HydrophobicContact CD1-CD1 3.83Å; L664-L668 HydrophobicContact CD1-CD2 4.49Å; L664-L668 HydrophobicContact CD1-CG 3.95Å; L664-L668 HydrophobicContact CG-CD1 4.29Å; L664-L668 WeakPolarHBondContact O-CG 3.45Å; L664-L668 PolarHBondContact O-N 2.96Å; L664-L668 VanDerWaalsContact O-N 3.08Å; L664-V690 HydrophobicContact CB-CG2 4.33Å; L664-V690 HydrophobicContact CD2-CG2 3.95Å; L664-V690 HydrophobicContact CG-CG2 4.05Å; L664-K723 HydrophobicContact CD2-CD 4Å; L664-I725 HydrophobicContact CD2-CD1 3.94Å; L664-Y786 HydrophobicContact CD1-CD2 4.16Å; L664-Y786 HydrophobicContact CD2-CD2 4.49Å; L664-Y786 HydrophobicContact CD2-CE2 4.46Å; L664-Y789 HydrophobicContact CB-CD1 4.19Å; L664-Y789 HydrophobicContact CB-CE1 3.68Å; L664-Y789 HydrophobicContact CB-CE2 4.48Å; L664-Y789 HydrophobicContact CD1-CD1 3.58Å; L664-Y789 HydrophobicContact CD1-CD2 4.41Å; L664-Y789 HydrophobicContact CD1-CE1 4.02Å; L664-Y789 HydrophobicContact CD1-CG 3.77Å; L664-Y789 HydrophobicContact CG-CD1 4.32Å; L664-Y789 HydrophobicContact CG-CE1 4.28Å; L664-Y789 PolarHBondContact N-OH 2.99Å; L664-D994 WeakPolarHBondContact CB-OD2 3.41Å; L664-D994 PolarHBondContact N-OD2 2.83Å
665S97.9Very high96.1Very high0 Ų048.9 Ų48.90%024%0.239CC..Hα-helixtrans-60.6-44.8-179.469.50000111.5C662 L668 E669 I688C662-S665 PolarHBondContact N-OG 3.42Å; C662-S665 PolarHBondContact O-N 2.99Å; C662-S665 PolarHBondContact O-OG 3.17Å; C662-S665 PolarHBondContact SG-N 3.37Å; S665-L668 PolarHBondContact O-N 3.25Å; S665-E669 VanDerWaalsContact O-CB 3.25Å; S665-E669 WeakPolarHBondContact O-CB 3.45Å; S665-E669 PolarHBondContact O-N 2.85Å; S665-I688 WeakPolarHBondContact CB-O 3.43Å
666N98.5Very high96.1Very high69 Ų6948.1 Ų48.137%0.36923%0.234SC..Hα-helixtrans-72.1-32.3-176.5-62.6-4.6000112.1T661 C662 K663 L664 K670T661-N666 VanDerWaalsContact CB-OD1 3.26Å; T661-N666 WeakPolarHBondContact CB-OD1 3.42Å; T661-N666 WeakPolarHBondContact CG2-OD1 3.34Å; C662-N666 WeakPolarHBondContact O-CB 3.44Å; C662-N666 PolarHBondContact O-N 3.23Å; C662-N666 PolarHBondContact O-ND2 3.07Å; C662-N666 PolarHBondContact O-OD1 3.23Å; K663-N666 PolarHBondContact O-N 3.22Å; L664-N666 VanDerWaalsContact C-N 3.33Å; L664-N666 PolarHBondContact O-N 3.23Å; N666-K670 VanDerWaalsContact O-CB 3.25Å; N666-K670 WeakPolarHBondContact O-CB 3.42Å; N666-K670 PolarHBondContact O-N 2.78Å
667F98.7Very high96.2Very high62 Ų6254.3 Ų54.327%0.27226%0.261SS..Hα-helixtrans-65-45.4173.2-177.7-93000111.7K663 L664 R671 G785 H788 Y789 L792K663-F667 WeakPolarHBondContact O-CB 3.36Å; K663-F667 PolarHBondContact O-N 2.87Å; L664-F667 PolarHBondContact O-N 2.69Å; F667-R671 WeakPolarHBondContact O-CB 3.37Å; F667-R671 PolarHBondContact O-N 2.99Å; F667-R671 VanDerWaalsContact O-N 3.08Å; F667-G785 WeakPolarHBondContact CE1-O 3.14Å; F667-H788 HydrophobicContact CE1-CB 4.37Å; F667-H788 HydrophobicContact CZ-CB 4.43Å; F667-H788 AromaticContact CZ-ND1 3.75Å; F667-Y789 HydrophobicContact CB-CD2 4.02Å; F667-Y789 HydrophobicContact CB-CE2 4.26Å; F667-Y789 AromaticContact CD1-CD2 3.86Å; F667-Y789 HydrophobicContact CD1-CD2 3.86Å; F667-Y789 HydrophobicContact CD1-CG 4.38Å; F667-Y789 HydrophobicContact CD2-CD2 4.24Å; F667-Y789 HydrophobicContact CE1-CD2 4.35Å; F667-Y789 AromaticContact CG-CD2 3.79Å; F667-Y789 HydrophobicContact CG-CD2 3.79Å; F667-Y789 HydrophobicContact CG-CE2 4.43Å; F667-L792 HydrophobicContact CE2-CD1 4.1Å; F667-L792 HydrophobicContact CZ-CD1 4.04Å
668L98.7Very high96.3Very high2 Ų258 Ų581%0.0128%0.277CS..Hα-helixtrans-67.6-46.2176.1-64.2178.8000111.8L664 S665 K670 R671 V672 I688 I725 G785L664-L668 HydrophobicContact CD1-CD1 3.83Å; L664-L668 HydrophobicContact CD1-CD2 4.49Å; L664-L668 HydrophobicContact CD1-CG 3.95Å; L664-L668 HydrophobicContact CG-CD1 4.29Å; L664-L668 WeakPolarHBondContact O-CG 3.45Å; L664-L668 PolarHBondContact O-N 2.96Å; L664-L668 VanDerWaalsContact O-N 3.08Å; S665-L668 PolarHBondContact O-N 3.25Å; L668-K670 PolarHBondContact O-N 2.89Å; L668-R671 PolarHBondContact O-N 3.05Å; L668-R671 VanDerWaalsContact O-N 3.16Å; L668-V672 PolarHBondContact O-N 3.12Å; L668-I688 HydrophobicContact CB-CD1 3.84Å; L668-I688 HydrophobicContact CB-CG2 3.99Å; L668-I688 HydrophobicContact CD1-CG2 4.16Å; L668-I725 HydrophobicContact CD1-CG2 3.81Å; L668-G785 VanDerWaalsContact CD2-C 3.43Å
669E98.5Very high96.5Very high45 Ų4557.2 Ų57.221%0.2127%0.274CS..Hα-helixtrans-58.2-48.4179.7-169168.3105.100110.8S665 R671 V672 N673 V686 I687 I688 R689S665-E669 VanDerWaalsContact O-CB 3.25Å; S665-E669 WeakPolarHBondContact O-CB 3.45Å; S665-E669 PolarHBondContact O-N 2.85Å; E669-R671 PolarHBondContact O-N 3.43Å; E669-V672 PolarHBondContact O-N 2.72Å; E669-N673 WeakPolarHBondContact O-CB 3.35Å; E669-N673 PolarHBondContact O-N 3.14Å; E669-N673 PolarHBondContact O-ND2 3.34Å; E669-V686 WeakPolarHBondContact CG-O 3.16Å; E669-I687 WeakPolarHBondContact OE2-CA 3.49Å; E669-I688 HydrophobicContact CB-CB 4.18Å; E669-I688 PolarHBondContact OE2-N 3.14Å; E669-R689 IonicContact OE1-NH1 3.28Å; E669-R689 IonicContact OE2-CZ 3.42Å; E669-R689 IonicContact OE2-NH1 3.31Å; E669-R689 PolarHBondContact OE2-NH1 2.81Å
670K98.5Very high96.6Very high124 Ų12464.8 Ų64.854%0.53931%0.309SS..Hα-helixtrans-59.1-47.7174.2-167.8-170.3-171.4-46.20111.6N666 L668 V672 N673 D674N666-K670 VanDerWaalsContact O-CB 3.25Å; N666-K670 WeakPolarHBondContact O-CB 3.42Å; N666-K670 PolarHBondContact O-N 2.78Å; L668-K670 PolarHBondContact O-N 2.89Å; K670-V672 PolarHBondContact O-N 2.83Å; K670-N673 PolarHBondContact O-N 2.8Å; K670-D674 IonicContact NZ-OD1 3.33Å; K670-D674 PolarHBondContact NZ-OD1 2.85Å; K670-D674 IonicContact NZ-OD2 2.95Å; K670-D674 PolarHBondContact NZ-OD2 3.25Å; K670-D674 VanDerWaalsContact O-CB 3.24Å; K670-D674 WeakPolarHBondContact O-CB 3.42Å; K670-D674 PolarHBondContact O-N 3.46Å
671R98.3Very high96.6Very high45 Ų4560.1 Ų60.117%0.1728%0.281CS..Hα-helixtrans-60.6-44.8-178.1-177.5178.31731066.7112.4F667 L668 E669 F675 E781 E842F667-R671 WeakPolarHBondContact O-CB 3.37Å; F667-R671 PolarHBondContact O-N 2.99Å; F667-R671 VanDerWaalsContact O-N 3.08Å; L668-R671 PolarHBondContact O-N 3.05Å; L668-R671 VanDerWaalsContact O-N 3.16Å; E669-R671 PolarHBondContact O-N 3.43Å; R671-F675 WeakPolarHBondContact O-CB 3.43Å; R671-F675 PolarHBondContact O-N 2.85Å; R671-F675 VanDerWaalsContact O-N 3.12Å; R671-E781 IonicContact CZ-OE2 2.74Å; R671-E781 IonicContact NE-OE2 2.8Å; R671-E781 PolarHBondContact NE-OE2 3.34Å; R671-E781 IonicContact NH2-OE2 2.69Å; R671-E781 PolarHBondContact NH2-OE2 3Å; R671-E842 IonicContact CZ-OE2 3.89Å; R671-E842 IonicContact NH1-OE2 3.6Å; R671-E842 PolarHBondContact NH1-OE2 3.19Å; R671-E842 VanDerWaalsContact NH2-CD 3.3Å; R671-E842 IonicContact NH2-OE1 2.74Å; R671-E842 PolarHBondContact NH2-OE1 2.99Å; R671-E842 VanDerWaalsContact NH2-OE1 3.09Å; R671-E842 IonicContact NH2-OE2 2.94Å; R671-E842 PolarHBondContact NH2-OE2 2.94Å
672V98.3Very high96.3Very high0 Ų064.3 Ų64.30%030%0.301CS..Hα-helixtrans-68.2-42.7-179.81720000111.1L668 E669 K670 F675 L676 V686 I688 I778 E781 L782L668-V672 PolarHBondContact O-N 3.12Å; E669-V672 PolarHBondContact O-N 2.72Å; K670-V672 PolarHBondContact O-N 2.83Å; V672-F675 WeakPolarHBondContact O-CB 3.5Å; V672-F675 PolarHBondContact O-N 3.2Å; V672-L676 HydrophobicContact CG1-CD1 4.05Å; V672-L676 WeakPolarHBondContact O-CG 3.37Å; V672-L676 PolarHBondContact O-N 3.37Å; V672-V686 HydrophobicContact CG1-CB 3.93Å; V672-V686 HydrophobicContact CG1-CG1 4.08Å; V672-V686 HydrophobicContact CG1-CG2 4.19Å; V672-I688 HydrophobicContact CB-CD1 4.25Å; V672-I688 HydrophobicContact CG2-CD1 3.86Å; V672-I778 HydrophobicContact CG1-CG2 3.81Å; V672-E781 HydrophobicContact CG2-CB 4.12Å; V672-L782 HydrophobicContact CG2-CD2 4.37Å; V672-L782 HydrophobicContact CG2-CG 4.11Å
673N97.9Very high96Very high11 Ų1164.3 Ų64.36%0.05930%0.302CS..Hα-helixtrans-74.4-35.4-178.7-66.8-28.5000112.8E669 K670 F675 L676 K677 D685 V686E669-N673 WeakPolarHBondContact O-CB 3.35Å; E669-N673 PolarHBondContact O-N 3.14Å; E669-N673 PolarHBondContact O-ND2 3.34Å; K670-N673 PolarHBondContact O-N 2.8Å; N673-F675 VanDerWaalsContact C-N 3.31Å; N673-F675 PolarHBondContact O-N 2.74Å; N673-L676 PolarHBondContact O-N 3.4Å; N673-K677 VanDerWaalsContact O-CB 3.31Å; N673-K677 WeakPolarHBondContact O-CB 3.5Å; N673-K677 WeakPolarHBondContact O-CD 3.33Å; N673-K677 VanDerWaalsContact O-CG 3.28Å; N673-K677 WeakPolarHBondContact O-CG 3.31Å; N673-K677 PolarHBondContact O-N 2.72Å; N673-D685 WeakPolarHBondContact CB-OD1 3.34Å; N673-D685 VanDerWaalsContact CG-OD1 3.23Å; N673-D685 PolarHBondContact ND2-OD1 2.95Å; N673-V686 PolarHBondContact ND2-O 3.16Å; N673-V686 PolarHBondContact OD1-N 3.21Å; N673-V686 PolarHBondContact OD1-O 3.18Å
674D97.8Very high95.5Very high78 Ų7860.8 Ų60.842%0.41730%0.302SS..Hα-helixtrans-58.9-42.1168.7-73.5-9.6000110.9K670 K678K670-D674 IonicContact NZ-OD1 3.33Å; K670-D674 PolarHBondContact NZ-OD1 2.85Å; K670-D674 IonicContact NZ-OD2 2.95Å; K670-D674 PolarHBondContact NZ-OD2 3.25Å; K670-D674 VanDerWaalsContact O-CB 3.24Å; K670-D674 WeakPolarHBondContact O-CB 3.42Å; K670-D674 PolarHBondContact O-N 3.46Å; D674-K678 VanDerWaalsContact O-CB 3.23Å; D674-K678 WeakPolarHBondContact O-CB 3.2Å; D674-K678 PolarHBondContact O-N 3.26Å
675F97.4Very high95.2Very high24 Ų2464.8 Ų64.811%0.10532%0.323CS..Hα-helixtrans-64-47.6175.7169.2-89.3000112R671 V672 N673 K677 K678 K679 E777 I778 E781R671-F675 WeakPolarHBondContact O-CB 3.43Å; R671-F675 PolarHBondContact O-N 2.85Å; R671-F675 VanDerWaalsContact O-N 3.12Å; V672-F675 WeakPolarHBondContact O-CB 3.5Å; V672-F675 PolarHBondContact O-N 3.2Å; N673-F675 VanDerWaalsContact C-N 3.31Å; N673-F675 PolarHBondContact O-N 2.74Å; F675-K677 PolarHBondContact O-N 2.93Å; F675-K678 PolarHBondContact O-N 3.46Å; F675-K679 HydrophobicContact CD1-CG 4.36Å; F675-K679 HydrophobicContact CD2-CG 4.34Å; F675-K679 HydrophobicContact CE1-CG 3.9Å; F675-K679 HydrophobicContact CE2-CD 4.42Å; F675-K679 HydrophobicContact CE2-CG 3.9Å; F675-K679 HydrophobicContact CZ-CD 4.36Å; F675-K679 HydrophobicContact CZ-CG 3.64Å; F675-K679 WeakPolarHBondContact O-CB 3.42Å; F675-K679 WeakPolarHBondContact O-CG 3.36Å; F675-K679 PolarHBondContact O-N 3.49Å; F675-E777 HydrophobicContact CE1-CB 3.99Å; F675-E777 HydrophobicContact CE2-CB 4.42Å; F675-E777 HydrophobicContact CZ-CB 3.54Å; F675-E777 HydrophobicContact CZ-CG 4.25Å; F675-I778 HydrophobicContact CE1-CG1 4.4Å; F675-E781 HydrophobicContact CB-CG 4.03Å; F675-E781 HydrophobicContact CD1-CG 4.07Å; F675-E781 HydrophobicContact CD2-CG 3.85Å; F675-E781 WeakPolarHBondContact CD2-OE1 3.27Å; F675-E781 HydrophobicContact CE2-CG 4.34Å; F675-E781 WeakPolarHBondContact CE2-OE1 3.44Å; F675-E781 HydrophobicContact CG-CG 3.71Å
676L96.4Very high95.2Very high4 Ų464.8 Ų64.82%0.02132%0.324CS..Hα-helixtrans-59.9-46.4178.5-75.7168.6000111.4V672 N673 K678 K679 E680 A681 A683 V686 F769 I778V672-L676 HydrophobicContact CG1-CD1 4.05Å; V672-L676 WeakPolarHBondContact O-CG 3.37Å; V672-L676 PolarHBondContact O-N 3.37Å; N673-L676 PolarHBondContact O-N 3.4Å; L676-K678 PolarHBondContact O-N 3.46Å; L676-K679 CarbonylContact O-C 3.51Å; L676-K679 PolarHBondContact O-N 3.4Å; L676-K679 VanDerWaalsContact O-N 3.12Å; L676-E680 PolarHBondContact O-N 3.49Å; L676-E680 VanDerWaalsContact O-N 3.16Å; L676-A681 HydrophobicContact CB-CB 4.24Å; L676-A681 HydrophobicContact CD2-CB 3.53Å; L676-A681 WeakPolarHBondContact O-CB 3.49Å; L676-A681 PolarHBondContact O-N 2.84Å; L676-A683 HydrophobicContact CD1-CB 4.4Å; L676-A683 HydrophobicContact CD2-CB 4.07Å; L676-V686 HydrophobicContact CD1-CB 4.38Å; L676-V686 HydrophobicContact CD1-CG2 3.68Å; L676-F769 HydrophobicContact CD2-CZ 4.23Å; L676-I778 HydrophobicContact CD2-CD1 3.8Å; L676-I778 HydrophobicContact CD2-CG1 4.31Å; L676-I778 HydrophobicContact CG-CD1 4.49Å
677K96.5Very high95.2Very high131 Ų13161.8 Ų61.857%0.5731%0.307SS*.Hα-helixtrans-62.2-41.9176.7-73.2160.7177.2161.80111.3N673 F675 K679 E680 D685N673-K677 VanDerWaalsContact O-CB 3.31Å; N673-K677 WeakPolarHBondContact O-CB 3.5Å; N673-K677 WeakPolarHBondContact O-CD 3.33Å; N673-K677 VanDerWaalsContact O-CG 3.28Å; N673-K677 WeakPolarHBondContact O-CG 3.31Å; N673-K677 PolarHBondContact O-N 2.72Å; F675-K677 PolarHBondContact O-N 2.93Å; K677-K679 VanDerWaalsContact C-N 3.29Å; K677-K679 PolarHBondContact O-N 2.67Å; K677-E680 PolarHBondContact O-N 3.31Å; K677-D685 WeakPolarHBondContact CE-OD1 3.42Å; K677-D685 VanDerWaalsContact NZ-CG 3.32Å; K677-D685 IonicContact NZ-OD1 2.71Å; K677-D685 PolarHBondContact NZ-OD1 3.28Å; K677-D685 IonicContact NZ-OD2 3.46Å; K677-D685 PolarHBondContact NZ-OD2 2.95Å
678K96.3Very high95.2Very high186 Ų18658.9 Ų58.981%0.80930%0.295SS*.Hα-helixtrans-67.3-22.7173.8-178.3173.3178.9179.10114.4D674 F675 L676D674-K678 VanDerWaalsContact O-CB 3.23Å; D674-K678 WeakPolarHBondContact O-CB 3.2Å; D674-K678 PolarHBondContact O-N 3.26Å; F675-K678 PolarHBondContact O-N 3.46Å; L676-K678 PolarHBondContact O-N 3.46Å
679K95.2Very high95.1Very high78 Ų7859.3 Ų59.334%0.33930%0.296SS..THydrogen-bonded Turntrans-93.12.4174.8-72.3-58.4-162.978.70113.5F675 L676 K677 A681 F774 E777F675-K679 HydrophobicContact CD1-CG 4.36Å; F675-K679 HydrophobicContact CD2-CG 4.34Å; F675-K679 HydrophobicContact CE1-CG 3.9Å; F675-K679 HydrophobicContact CE2-CD 4.42Å; F675-K679 HydrophobicContact CE2-CG 3.9Å; F675-K679 HydrophobicContact CZ-CD 4.36Å; F675-K679 HydrophobicContact CZ-CG 3.64Å; F675-K679 WeakPolarHBondContact O-CB 3.42Å; F675-K679 WeakPolarHBondContact O-CG 3.36Å; F675-K679 PolarHBondContact O-N 3.49Å; L676-K679 CarbonylContact O-C 3.51Å; L676-K679 PolarHBondContact O-N 3.4Å; L676-K679 VanDerWaalsContact O-N 3.12Å; K677-K679 VanDerWaalsContact C-N 3.29Å; K677-K679 PolarHBondContact O-N 2.67Å; K679-A681 HydrophobicContact CB-CB 4.34Å; K679-A681 PolarHBondContact O-N 3.01Å; K679-F774 HydrophobicContact CB-CE1 4.08Å; K679-F774 HydrophobicContact CB-CZ 4.09Å; K679-F774 HydrophobicContact CG-CE1 4.26Å; K679-E777 IonicContact NZ-OE1 3.53Å; K679-E777 PolarHBondContact NZ-OE1 2.72Å; K679-E777 IonicContact NZ-OE2 3.57Å; K679-E777 PolarHBondContact NZ-OE2 2.7Å
680E93.1Very high95.1Very high182 Ų18257.5 Ų57.585%0.8529%0.288SS*.THydrogen-bonded Turntrans50.737.2-172.6-64.1173.8-175.100111.7L676 K677 D682L676-E680 PolarHBondContact O-N 3.49Å; L676-E680 VanDerWaalsContact O-N 3.16Å; K677-E680 PolarHBondContact O-N 3.31Å; E680-D682 PolarHBondContact O-N 3.28Å
681A84.9Confident94.9Very high14 Ų1452.1 Ų52.112%0.11627%0.265CS..  trans-80.2105.4-176.300000110.5L676 K679 A683 F774L676-A681 HydrophobicContact CB-CB 4.24Å; L676-A681 HydrophobicContact CD2-CB 3.53Å; L676-A681 WeakPolarHBondContact O-CB 3.49Å; L676-A681 PolarHBondContact O-N 2.84Å; K679-A681 HydrophobicContact CB-CB 4.34Å; K679-A681 PolarHBondContact O-N 3.01Å; A681-A683 HydrophobicContact CB-CB 4.5Å; A681-A683 PolarHBondContact O-N 2.79Å; A681-F774 HydrophobicContact CB-CD2 3.48Å; A681-F774 VanDerWaalsContact CB-CD2 3.48Å; A681-F774 HydrophobicContact CB-CE2 3.4Å; A681-F774 VanDerWaalsContact CB-CE2 3.4Å; A681-F774 HydrophobicContact CB-CG 4.41Å; A681-F774 HydrophobicContact CB-CZ 4.27Å
682D87.9Confident94.7Very high156 Ų15650 Ų5083%0.83426%0.258SS*.  trans-66.982.7170.3-174.428000110.7E680E680-D682 PolarHBondContact O-N 3.28Å
683A87.9Confident94.5Very high10 Ų1050.2 Ų50.28%0.08326%0.259CS..SBendtrans-133.3-9.9-17200000113.1L676 A681 Q729 F769 R770L676-A683 HydrophobicContact CD1-CB 4.4Å; L676-A683 HydrophobicContact CD2-CB 4.07Å; A681-A683 HydrophobicContact CB-CB 4.5Å; A681-A683 PolarHBondContact O-N 2.79Å; A683-Q729 PolarHBondContact O-NE2 3.03Å; A683-F769 HydrophobicContact CB-CZ 3.96Å; A683-R770 WeakPolarHBondContact CB-O 3.37Å
684G88.6Confident94.1Very high55 Ų5550.2 Ų50.257%0.56726%0.261SS*.  trans64.6-174.3-161.400000112.9
685D91.4Very high93.9Very high84 Ų8451 Ų5145%0.44927%0.265SS..PPolyproline II helixtrans-80.2129.9171.7-79.3-57000110.8N673 K677N673-D685 WeakPolarHBondContact CB-OD1 3.34Å; N673-D685 VanDerWaalsContact CG-OD1 3.23Å; N673-D685 PolarHBondContact ND2-OD1 2.95Å; K677-D685 WeakPolarHBondContact CE-OD1 3.42Å; K677-D685 VanDerWaalsContact NZ-CG 3.32Å; K677-D685 IonicContact NZ-OD1 2.71Å; K677-D685 PolarHBondContact NZ-OD1 3.28Å; K677-D685 IonicContact NZ-OD2 3.46Å; K677-D685 PolarHBondContact NZ-OD2 2.95Å
686V97.7Very high93.8Very high1 Ų152.6 Ų52.61%0.00627%0.272CS..EExtended strand (participates in β ladder)trans-79135.5167.3170.20000108.6E669 V672 N673 L676 I688 A727 F738 F769E669-V686 WeakPolarHBondContact CG-O 3.16Å; V672-V686 HydrophobicContact CG1-CB 3.93Å; V672-V686 HydrophobicContact CG1-CG1 4.08Å; V672-V686 HydrophobicContact CG1-CG2 4.19Å; N673-V686 PolarHBondContact ND2-O 3.16Å; N673-V686 PolarHBondContact OD1-N 3.21Å; N673-V686 PolarHBondContact OD1-O 3.18Å; L676-V686 HydrophobicContact CD1-CB 4.38Å; L676-V686 HydrophobicContact CD1-CG2 3.68Å; V686-I688 HydrophobicContact CG1-CD1 4.47Å; V686-I688 HydrophobicContact CG1-CG1 4.14Å; V686-A727 HydrophobicContact CG1-CB 4.25Å; V686-F738 HydrophobicContact CG1-CE1 4.01Å; V686-F738 HydrophobicContact CG1-CZ 3.91Å; V686-F738 HydrophobicContact CG2-CE1 4.47Å; V686-F738 HydrophobicContact CG2-CZ 4.32Å; V686-F769 HydrophobicContact CG2-CE2 3.74Å
687I98.5Very high93.7Very high6 Ų656.3 Ų56.33%0.03130%0.295CS..EExtended strand (participates in β ladder)trans-103.4134.4-179.3-50139.6000107.9A656 K657 E669 A727 F728 E735A656-I687 HydrophobicContact CB-CD1 4.44Å; A656-I687 HydrophobicContact CB-CG2 4.12Å; K657-I687 HydrophobicContact CD-CD1 4.35Å; K657-I687 HydrophobicContact CG-CD1 3.67Å; K657-I687 HydrophobicContact CG-CG1 3.84Å; K657-I687 HydrophobicContact CG-CG2 4.45Å; E669-I687 WeakPolarHBondContact OE2-CA 3.49Å; I687-A727 CarbonylContact O-C 3.54Å; I687-A727 WeakPolarHBondContact O-CA 3.47Å; I687-F728 HydrophobicContact CB-CB 4.27Å; I687-F728 HydrophobicContact CD1-CB 4.32Å; I687-F728 PolarHBondContact N-O 2.96Å; I687-F728 PolarHBondContact O-N 3.01Å; I687-E735 HydrophobicContact CD1-CG 4.13Å; I687-E735 WeakPolarHBondContact CD1-OE1 3.4Å
688I98.6Very high93.5Very high0 Ų050.3 Ų50.30%027%0.269CS..EExtended strand (participates in β ladder)trans-126.7132.6179.6-61.5175.7000109.6S665 L668 E669 V672 V686 I725 F726 A727 L782S665-I688 WeakPolarHBondContact CB-O 3.43Å; L668-I688 HydrophobicContact CB-CD1 3.84Å; L668-I688 HydrophobicContact CB-CG2 3.99Å; L668-I688 HydrophobicContact CD1-CG2 4.16Å; E669-I688 HydrophobicContact CB-CB 4.18Å; E669-I688 PolarHBondContact OE2-N 3.14Å; V672-I688 HydrophobicContact CB-CD1 4.25Å; V672-I688 HydrophobicContact CG2-CD1 3.86Å; V686-I688 HydrophobicContact CG1-CD1 4.47Å; V686-I688 HydrophobicContact CG1-CG1 4.14Å; I688-I725 HydrophobicContact CG2-CG2 4.07Å; I688-F726 WeakPolarHBondContact CA-O 3.38Å; I688-A727 HydrophobicContact CG1-CB 4Å; I688-L782 HydrophobicContact CD1-CD2 3.45Å; I688-L782 VanDerWaalsContact CD1-CD2 3.45Å; I688-L782 HydrophobicContact CG1-CD2 4.3Å
689R97.6Very high93.5Very high12 Ų1247.8 Ų47.85%0.04526%0.26CS..EExtended strand (participates in β ladder)trans-134.9144.2179.2-65.2-68.7177.6-84.51.2110.5A656 K657 L659 T660 T661 E669 L691 F726 F728A656-R689 PolarHBondContact O-NE 3.17Å; A656-R689 VanDerWaalsContact O-NE 3.09Å; K657-R689 PolarHBondContact O-NH2 3.29Å; L659-R689 HydrophobicContact CB-CG 4.11Å; L659-R689 PolarHBondContact O-NE 3.39Å; T660-R689 WeakPolarHBondContact O-CD 3.28Å; T661-R689 VanDerWaalsContact CG2-CZ 3.46Å; E669-R689 IonicContact OE1-NH1 3.28Å; E669-R689 IonicContact OE2-CZ 3.42Å; E669-R689 IonicContact OE2-NH1 3.31Å; E669-R689 PolarHBondContact OE2-NH1 2.81Å; R689-L691 HydrophobicContact CB-CD2 3.73Å; R689-F726 PolarHBondContact N-O 3.49Å; R689-F726 PolarHBondContact O-N 3.3Å; R689-F728 HydrophobicContact CB-CE2 4.48Å
690V97.6Very high93.4Very high7 Ų744.6 Ų44.64%0.04225%0.247CC..EExtended strand (participates in β ladder)trans-93.2114.9165.4-178.60000105.8C662 L664 A692 A693 K723 A724 I725 I997C662-V690 VanDerWaalsContact SG-CG2 3.5Å; L664-V690 HydrophobicContact CB-CG2 4.33Å; L664-V690 HydrophobicContact CD2-CG2 3.95Å; L664-V690 HydrophobicContact CG-CG2 4.05Å; V690-A692 WeakPolarHBondContact CG1-O 3.48Å; V690-A693 HydrophobicContact CG1-CB 4.42Å; V690-K723 HydrophobicContact CG1-CB 4.43Å; V690-A724 CarbonylContact C-O 3.34Å; V690-A724 WeakPolarHBondContact CA-O 3.4Å; V690-I725 HydrophobicContact CG2-CG1 4.35Å; V690-I997 HydrophobicContact CB-CD1 4.23Å; V690-I997 HydrophobicContact CG1-CD1 4.19Å; V690-I997 WeakPolarHBondContact O-CD1 3.48Å
691L94.9Very high93.4Very high11 Ų1139.3 Ų39.36%0.05822%0.221CC..EExtended strand (participates in β ladder)trans-94.9-26.9-172-57.1-173.7000112.8L659 R689 A724 F726 F728 I997 S999 M1002 L1036L659-L691 HydrophobicContact CD1-CD2 3.71Å; R689-L691 HydrophobicContact CB-CD2 3.73Å; L691-A724 PolarHBondContact N-O 2.94Å; L691-F726 HydrophobicContact CB-CD2 4.33Å; L691-F726 HydrophobicContact CD1-CB 4.02Å; L691-F726 HydrophobicContact CD1-CD2 3.38Å; L691-F726 HydrophobicContact CD1-CE2 3.91Å; L691-F726 HydrophobicContact CD1-CG 3.79Å; L691-F726 HydrophobicContact CG-CB 4.4Å; L691-F726 HydrophobicContact CG-CD2 3.81Å; L691-F726 HydrophobicContact CG-CG 4.43Å; L691-F728 HydrophobicContact CD1-CZ 4.46Å; L691-I997 VanDerWaalsContact O-CG2 3.31Å; L691-I997 WeakPolarHBondContact O-CG2 3.38Å; L691-S999 VanDerWaalsContact O-CB 3.23Å; L691-S999 WeakPolarHBondContact O-CB 3.5Å; L691-M1002 HydrophobicContact CB-CB 4.02Å; L691-M1002 HydrophobicContact CB-CG 3.88Å; L691-M1002 HydrophobicContact CD1-CE 4.25Å; L691-M1002 HydrophobicContact CD1-CG 4.07Å; L691-M1002 HydrophobicContact CD1-SD 4.23Å; L691-L1036 HydrophobicContact CB-CD2 4.4Å; L691-L1036 HydrophobicContact CD1-CD1 3.71Å; L691-L1036 HydrophobicContact CD1-CD2 4.3Å; L691-L1036 HydrophobicContact CD2-CD1 4.25Å
692A93.5Very high93.7Very high1 Ų141.8 Ų41.81%0.00824%0.237CC..EExtended strand (participates in β ladder)trans-136.5144170.900000110.1V690 K723 A724 I997 M1002 E1003V690-A692 WeakPolarHBondContact CG1-O 3.48Å; A692-K723 CarbonylContact O-C 3.51Å; A692-K723 VanDerWaalsContact O-CA 3.3Å; A692-K723 WeakPolarHBondContact O-CA 3.34Å; A692-A724 HydrophobicContact CB-CB 3.9Å; A692-A724 PolarHBondContact O-N 3.18Å; A692-I997 CarbonylContact C-O 3.51Å; A692-I997 WeakPolarHBondContact CA-O 3.48Å; A692-M1002 HydrophobicContact CB-CB 4.01Å; A692-E1003 HydrophobicContact CB-CB 4.41Å
693A93.8Very high93.7Very high3 Ų335 Ų353%0.02521%0.205CC..EExtended strand (participates in β ladder)trans-149.2104.2170.200000108V690 V722 K723 L996 I997V690-A693 HydrophobicContact CG1-CB 4.42Å; A693-V722 CarbonylContact C-O 3.59Å; A693-V722 VanDerWaalsContact CA-O 3.29Å; A693-V722 WeakPolarHBondContact CA-O 3.35Å; A693-K723 HydrophobicContact CB-CG 4.03Å; A693-L996 CarbonylContact O-C 3.37Å; A693-L996 VanDerWaalsContact O-CA 3.27Å; A693-L996 WeakPolarHBondContact O-CA 3.43Å; A693-L996 WeakPolarHBondContact O-CB 3.34Å; A693-L996 WeakPolarHBondContact O-CD2 3.41Å; A693-I997 HydrophobicContact CB-CB 4.1Å; A693-I997 HydrophobicContact CB-CG1 4.21Å; A693-I997 PolarHBondContact N-O 3.01Å; A693-I997 PolarHBondContact O-N 3.11Å
694A90.1Very high93.9Very high12 Ų1234.5 Ų34.510%0.09920%0.201CC..EExtended strand (participates in β ladder)trans-138.1145.8-171.100000111.8R721 V722 E1003A694-R721 CarbonylContact O-C 3.27Å; A694-R721 WeakPolarHBondContact O-CA 3.47Å; A694-V722 HydrophobicContact CB-CG1 3.95Å; A694-V722 PolarHBondContact N-O 2.76Å; A694-V722 WeakPolarHBondContact O-CG1 3.39Å; A694-V722 PolarHBondContact O-N 3.43Å; A694-E1003 HydrophobicContact CB-CG 3.88Å; A694-E1003 WeakPolarHBondContact CB-OE2 3.47Å
695D94.6Very high94Very high94 Ų9434.8 Ų34.850%0.50319%0.186SC..EExtended strand (participates in β ladder)trans-88.5132.5178.3-65.8-31.9000110.8R721D695-R721 IonicContact OD1-CZ 3.25Å; D695-R721 VanDerWaalsContact OD1-CZ 3.25Å; D695-R721 IonicContact OD1-NE 2.71Å; D695-R721 PolarHBondContact OD1-NE 3.36Å; D695-R721 IonicContact OD1-NH2 2.91Å; D695-R721 PolarHBondContact OD1-NH2 3.46Å; D695-R721 IonicContact OD2-CZ 3.96Å; D695-R721 IonicContact OD2-NH2 2.97Å; D695-R721 PolarHBondContact OD2-NH2 2.91Å
696K93.7Very high93.8Very high58 Ų5833.8 Ų33.825%0.25219%0.189SC..EExtended strand (participates in β ladder)trans-138.7172.3-173.4-70.4-165.5173.5-172.60111.7P719 Y720 V722 E1003K696-P719 CarbonylContact O-C 3.54Å; K696-P719 WeakPolarHBondContact O-CA 3.48Å; K696-Y720 HydrophobicContact CB-CD1 4.19Å; K696-Y720 HydrophobicContact CB-CD2 4.39Å; K696-Y720 HydrophobicContact CB-CE1 3.67Å; K696-Y720 HydrophobicContact CB-CE2 3.91Å; K696-Y720 HydrophobicContact CD-CE2 4.4Å; K696-Y720 PolarHBondContact N-O 2.91Å; K696-Y720 PolarHBondContact O-N 3.38Å; K696-Y720 VanDerWaalsContact O-O 3.09Å; K696-V722 HydrophobicContact CD-CB 4.41Å; K696-V722 HydrophobicContact CD-CG1 3.87Å; K696-V722 HydrophobicContact CG-CG1 4.26Å; K696-E1003 WeakPolarHBondContact CE-OE1 3.25Å; K696-E1003 PolarHBondContact NZ-O 3.41Å; K696-E1003 IonicContact NZ-OE1 3.71Å; K696-E1003 PolarHBondContact NZ-OE1 2.94Å
697T94.9Very high93.3Very high82 Ų8236.5 Ų36.550%0.50320%0.199SC..EExtended strand (participates in β ladder)trans-138130.717451.90000109.9F718 P719T697-F718 WeakPolarHBondContact CA-O 3.34Å; T697-P719 HydrophobicContact CG2-CB 4.27Å
698V93.8Very high92.8Very high4 Ų436.7 Ų36.72%0.02420%0.2CC..EExtended strand (participates in β ladder)trans-85.6128.7165.1530000108.5S717 F718 Y720 Y746 Y868 E870V698-S717 CarbonylContact O-C 3.57Å; V698-S717 WeakPolarHBondContact O-CA 3.35Å; V698-S717 WeakPolarHBondContact O-CB 3.3Å; V698-F718 HydrophobicContact CG1-CB 3.77Å; V698-F718 HydrophobicContact CG1-CD2 4.18Å; V698-F718 HydrophobicContact CG1-CG 4.48Å; V698-F718 PolarHBondContact N-O 2.67Å; V698-F718 PolarHBondContact O-N 3.41Å; V698-Y720 HydrophobicContact CB-CE1 4.28Å; V698-Y746 HydrophobicContact CG1-CE1 4Å; V698-Y868 HydrophobicContact CG2-CD1 4.06Å; V698-Y868 HydrophobicContact CG2-CE1 3.84Å; V698-E870 HydrophobicContact CB-CB 4.11Å; V698-E870 HydrophobicContact CG2-CB 4.22Å
699E94.7Very high92.3Very high134 Ų13437.3 Ų37.363%0.62620%0.204SC*.EExtended strand (participates in β ladder)trans-87.4140.1173.5-68.2-170.7171.500110.4
700V94.4Very high91.5Very high10 Ų1042.2 Ų42.26%0.06123%0.231CC..PPolyproline II helixtrans-72.9132.8174.2177.60000109.9M704 K705 P715 E716 F718 Y868V700-M704 HydrophobicContact CG1-CB 3.39Å; V700-M704 HydrophobicContact CG1-CG 4.45Å; V700-K705 HydrophobicContact CG1-CB 4.27Å; V700-P715 VanDerWaalsContact CG2-O 3.28Å; V700-P715 WeakPolarHBondContact CG2-O 3.49Å; V700-E716 PolarHBondContact N-O 2.83Å; V700-F718 HydrophobicContact CG2-CD2 4.31Å; V700-F718 HydrophobicContact CG2-CE2 3.67Å; V700-Y868 HydrophobicContact CG2-CD1 4.38Å; V700-Y868 HydrophobicContact CG2-CE1 4.15Å
701K92.7Very high90.7Very high71 Ų7147 Ų4731%0.30926%0.257SS..PPolyproline II helixtrans-74.2165.5-173.8-70.6178.9-173.8-160.10112.1G703 M704 K705 Y868 P875 N876 E879K701-G703 PolarHBondContact O-N 3.12Å; K701-M704 PolarHBondContact O-N 3.34Å; K701-K705 VanDerWaalsContact O-CB 3.22Å; K701-K705 WeakPolarHBondContact O-CB 3.4Å; K701-K705 PolarHBondContact O-N 3.14Å; K701-Y868 WeakPolarHBondContact CB-OH 3.43Å; K701-Y868 VanDerWaalsContact CG-OH 3.29Å; K701-Y868 WeakPolarHBondContact CG-OH 3.22Å; K701-Y868 PolarHBondContact N-OH 2.69Å; K701-P875 HydrophobicContact CD-CB 4.46Å; K701-N876 PolarHBondContact NZ-OD1 2.67Å; K701-E879 HydrophobicContact CB-CG 3.61Å; K701-E879 HydrophobicContact CD-CG 3.89Å; K701-E879 HydrophobicContact CG-CG 4.39Å
702S91.3Very high90.2Very high66 Ų6649.7 Ų49.746%0.46229%0.287SS..Hα-helixtrans-50.6-50.2-165.923.20000115.7A706 E879S702-A706 VanDerWaalsContact O-CB 3.32Å; S702-A706 WeakPolarHBondContact O-CB 3.29Å; S702-A706 PolarHBondContact O-N 3.42Å; S702-E879 WeakPolarHBondContact CB-OE2 2.99Å; S702-E879 PolarHBondContact N-OE2 3.43Å; S702-E879 PolarHBondContact OG-OE2 3.46Å
703G88.1Confident89.8Confident14 Ų1454.8 Ų54.814%0.14431%0.311CS..Hα-helixtrans-75.7-43.2-177.300000112.7K701 K705 A706 R707 E879K701-G703 PolarHBondContact O-N 3.12Å; G703-K705 VanDerWaalsContact C-N 3.28Å; G703-K705 PolarHBondContact O-N 3.44Å; G703-A706 PolarHBondContact O-N 3.1Å; G703-R707 WeakPolarHBondContact O-CG 3.42Å; G703-R707 PolarHBondContact O-N 2.79Å; G703-E879 VanDerWaalsContact CA-OE1 3.24Å; G703-E879 WeakPolarHBondContact CA-OE1 3.43Å; G703-E879 PolarHBondContact N-OE1 3.46Å; G703-E879 PolarHBondContact N-OE2 3.1Å
704M91.1Very high89.6Confident0 Ų054.9 Ų54.90%031%0.311CS..Hα-helixtrans-57.5-44.7171-82.9-56.2-67.900110.7V700 K701 R707 F708 M714 Y868 L878 E879 F882V700-M704 HydrophobicContact CG1-CB 3.39Å; V700-M704 HydrophobicContact CG1-CG 4.45Å; K701-M704 PolarHBondContact O-N 3.34Å; M704-R707 PolarHBondContact O-N 3.28Å; M704-F708 HydrophobicContact CE-CD2 3.57Å; M704-F708 HydrophobicContact CE-CE2 4.05Å; M704-F708 HydrophobicContact CE-CG 4.22Å; M704-F708 PolarHBondContact O-N 2.82Å; M704-F708 HydrophobicContact SD-CD2 3.78Å; M704-F708 HydrophobicContact SD-CE2 3.86Å; M704-M714 HydrophobicContact CE-CE 4.22Å; M704-M714 HydrophobicContact CE-SD 3.35Å; M704-M714 WeakPolarHBondContact CE-SD 3.35Å; M704-Y868 HydrophobicContact CG-CE2 4.14Å; M704-L878 HydrophobicContact CG-CB 4.25Å; M704-L878 HydrophobicContact CG-CD1 4.24Å; M704-L878 HydrophobicContact SD-CB 4.27Å; M704-L878 HydrophobicContact SD-CD1 3.89Å; M704-L878 HydrophobicContact SD-CD2 4.38Å; M704-L878 HydrophobicContact SD-CG 4.41Å; M704-E879 PolarHBondContact N-OE1 3.15Å; M704-F882 HydrophobicContact CB-CE2 4.26Å; M704-F882 HydrophobicContact CG-CE2 3.7Å; M704-F882 HydrophobicContact CG-CZ 4.32Å; M704-F882 HydrophobicContact SD-CE2 3.48Å; M704-F882 WeakPolarHBondContact SD-CE2 3.49Å; M704-F882 HydrophobicContact SD-CZ 3.47Å; M704-F882 WeakPolarHBondContact SD-CZ 3.13Å
705K90.8Very high89.7Confident61 Ų6156.5 Ų56.527%0.26532%0.32SS..Iπ-helixtrans-62.3-50.8-178.9-169.9175.3179.7164.90111.8V700 K701 G703 R707 C709 D710 E716V700-K705 HydrophobicContact CG1-CB 4.27Å; K701-K705 VanDerWaalsContact O-CB 3.22Å; K701-K705 WeakPolarHBondContact O-CB 3.4Å; K701-K705 PolarHBondContact O-N 3.14Å; G703-K705 VanDerWaalsContact C-N 3.28Å; G703-K705 PolarHBondContact O-N 3.44Å; K705-R707 PolarHBondContact O-N 2.8Å; K705-C709 HydrophobicContact CB-CB 4.34Å; K705-C709 HydrophobicContact CG-CB 3.68Å; K705-C709 WeakPolarHBondContact O-CB 3.38Å; K705-C709 PolarHBondContact O-N 2.99Å; K705-D710 PolarHBondContact O-N 3.37Å; K705-D710 VanDerWaalsContact O-N 3.14Å; K705-E716 VanDerWaalsContact CE-CD 3.44Å; K705-E716 WeakPolarHBondContact CE-OE1 3.48Å; K705-E716 IonicContact NZ-OE1 2.85Å; K705-E716 PolarHBondContact NZ-OE1 3.32Å; K705-E716 IonicContact NZ-OE2 3.45Å; K705-E716 PolarHBondContact NZ-OE2 2.97Å
706A87.6Confident89.7Confident62 Ų6257.3 Ų57.351%0.51232%0.321SS..Iπ-helixtrans-67.6-16.5-178.200000114.5S702 G703S702-A706 VanDerWaalsContact O-CB 3.32Å; S702-A706 WeakPolarHBondContact O-CB 3.29Å; S702-A706 PolarHBondContact O-N 3.42Å; G703-A706 PolarHBondContact O-N 3.1Å
707R86.8Confident89.7Confident58 Ų5856.8 Ų56.822%0.21932%0.324CS..Iπ-helixtrans-106.9-28.2179.8-64.6-173.4-174.1173.65114.4G703 M704 K705 N711 F882 D886G703-R707 WeakPolarHBondContact O-CG 3.42Å; G703-R707 PolarHBondContact O-N 2.79Å; M704-R707 PolarHBondContact O-N 3.28Å; K705-R707 PolarHBondContact O-N 2.8Å; R707-N711 PolarHBondContact O-ND2 2.81Å; R707-F882 PolarHBondContact NH2-O 3.15Å; R707-D886 IonicContact CZ-OD1 2.71Å; R707-D886 VanDerWaalsContact NH2-CG 3.28Å; R707-D886 IonicContact NH2-OD1 3.02Å; R707-D886 PolarHBondContact NH2-OD1 3.34Å; R707-D886 IonicContact NH2-OD2 3.33Å; R707-D886 PolarHBondContact NH2-OD2 3.03Å
708F89Confident89.9Confident11 Ų1152.9 Ų52.95%0.04830%0.3CS..Iπ-helixtrans-124.7-32.8-175.2-59.3-79.7000114.4M704 E713 M714 P863 F882M704-F708 HydrophobicContact CE-CD2 3.57Å; M704-F708 HydrophobicContact CE-CE2 4.05Å; M704-F708 HydrophobicContact CE-CG 4.22Å; M704-F708 PolarHBondContact O-N 2.82Å; M704-F708 HydrophobicContact SD-CD2 3.78Å; M704-F708 HydrophobicContact SD-CE2 3.86Å; F708-E713 HydrophobicContact CB-CB 4.43Å; F708-E713 WeakPolarHBondContact O-CA 3.43Å; F708-E713 WeakPolarHBondContact O-CB 3.5Å; F708-E713 PolarHBondContact O-N 3.02Å; F708-M714 HydrophobicContact CB-CB 3.94Å; F708-M714 PolarHBondContact O-N 3.16Å; F708-M714 VanDerWaalsContact O-N 3.16Å; F708-P863 HydrophobicContact CE2-CB 4.33Å; F708-P863 HydrophobicContact CZ-CB 4.16Å; F708-P863 HydrophobicContact CZ-CG 4.03Å; F708-F882 HydrophobicContact CE2-CZ 4Å
709C86.7Confident90Very high13 Ų1355 Ų559%0.08831%0.314CS..Iπ-helixtrans-78.8-41.4-179.6-60.50000112.9K705 N711 G712 M714 P715 E716K705-C709 HydrophobicContact CB-CB 4.34Å; K705-C709 HydrophobicContact CG-CB 3.68Å; K705-C709 WeakPolarHBondContact O-CB 3.38Å; K705-C709 PolarHBondContact O-N 2.99Å; C709-N711 PolarHBondContact O-N 3.45Å; C709-G712 PolarHBondContact O-N 2.85Å; C709-M714 VanDerWaalsContact CA-O 3.24Å; C709-M714 WeakPolarHBondContact CA-O 3.47Å; C709-M714 WeakPolarHBondContact CB-O 3.12Å; C709-M714 PolarHBondContact SG-O 3.28Å; C709-P715 PolarHBondContact SG-O 3.2Å; C709-P715 VanDerWaalsContact SG-O 3.36Å; C709-E716 HydrophobicContact CB-CG 4.47Å
710D82.3Confident90.2Very high114 Ų11449.7 Ų49.761%0.6129%0.289SS*.THydrogen-bonded Turntrans-65-22.9-179.3-67.6-5.7000112K705K705-D710 PolarHBondContact O-N 3.37Å; K705-D710 VanDerWaalsContact O-N 3.14Å
711N81.3Confident90.3Very high108 Ų10851.6 Ų51.658%0.57830%0.295SS*.THydrogen-bonded Turntrans-84.7-11.2171.5-67.1-5.5000114R707 C709 E713R707-N711 PolarHBondContact O-ND2 2.81Å; C709-N711 PolarHBondContact O-N 3.45Å; N711-E713 HydrophobicContact CB-CG 4.05Å; N711-E713 WeakPolarHBondContact CB-OE1 3.24Å; N711-E713 PolarHBondContact ND2-OE1 3.33Å
712G82.9Confident90.4Very high67 Ų6748.7 Ų48.769%0.69128%0.283SS*.THydrogen-bonded Turntrans80.18.7-173.400000115.6C709 M714C709-G712 PolarHBondContact O-N 2.85Å; G712-M714 VanDerWaalsContact C-N 3.35Å
713E84.9Confident90.7Very high108 Ų10845.7 Ų45.751%0.50526%0.262SS..SBendtrans-76-22.3178.5-61.9171.6-131.400112.7F708 N711F708-E713 HydrophobicContact CB-CB 4.43Å; F708-E713 WeakPolarHBondContact O-CA 3.43Å; F708-E713 WeakPolarHBondContact O-CB 3.5Å; F708-E713 PolarHBondContact O-N 3.02Å; N711-E713 HydrophobicContact CB-CG 4.05Å; N711-E713 WeakPolarHBondContact CB-OE1 3.24Å; N711-E713 PolarHBondContact ND2-OE1 3.33Å
714M90.4Very high91.2Very high6 Ų645 Ų453%0.0326%0.255CS..SBendtrans-141.9137.9179.1-165.3171.7-165.100111.7M704 F708 C709 G712 F718 P753 Y868M704-M714 HydrophobicContact CE-CE 4.22Å; M704-M714 HydrophobicContact CE-SD 3.35Å; M704-M714 WeakPolarHBondContact CE-SD 3.35Å; F708-M714 HydrophobicContact CB-CB 3.94Å; F708-M714 PolarHBondContact O-N 3.16Å; F708-M714 VanDerWaalsContact O-N 3.16Å; C709-M714 VanDerWaalsContact CA-O 3.24Å; C709-M714 WeakPolarHBondContact CA-O 3.47Å; C709-M714 WeakPolarHBondContact CB-O 3.12Å; C709-M714 PolarHBondContact SG-O 3.28Å; G712-M714 VanDerWaalsContact C-N 3.35Å; M714-F718 HydrophobicContact CE-CE2 3.82Å; M714-F718 HydrophobicContact CE-CZ 3.7Å; M714-F718 HydrophobicContact CG-CZ 4.02Å; M714-P753 HydrophobicContact CE-CG 4.23Å; M714-Y868 HydrophobicContact CE-CD2 4.13Å; M714-Y868 HydrophobicContact CE-CG 4.18Å
715P92.9Very high91.5Very high46 Ų4645 Ų4530%0.29926%0.255SS..  trans-60.6149.2173.7-24.434.8000113.2V700 C709 S717 F718 P751V700-P715 VanDerWaalsContact CG2-O 3.28Å; V700-P715 WeakPolarHBondContact CG2-O 3.49Å; C709-P715 PolarHBondContact SG-O 3.2Å; C709-P715 VanDerWaalsContact SG-O 3.36Å; P715-S717 PolarHBondContact O-N 3.45Å; P715-F718 HydrophobicContact CB-CE1 4.09Å; P715-F718 HydrophobicContact CB-CZ 4.26Å; P715-F718 HydrophobicContact CG-CE1 3.87Å; P715-F718 HydrophobicContact CG-CZ 4.24Å; P715-P751 HydrophobicContact CB-CB 4.37Å; P715-P751 HydrophobicContact CB-CG 4.45Å; P715-P751 HydrophobicContact CG-CB 3.58Å; P715-P751 HydrophobicContact CG-CG 4.12Å
716E93.1Very high91.9Very high111 Ų11142.1 Ų42.152%0.51924%0.242SC..SBendtrans-68.3-20.5177.7-56.6-162.4157.100114.2V700 K705 C709V700-E716 PolarHBondContact N-O 2.83Å; K705-E716 VanDerWaalsContact CE-CD 3.44Å; K705-E716 WeakPolarHBondContact CE-OE1 3.48Å; K705-E716 IonicContact NZ-OE1 2.85Å; K705-E716 PolarHBondContact NZ-OE1 3.32Å; K705-E716 IonicContact NZ-OE2 3.45Å; K705-E716 PolarHBondContact NZ-OE2 2.97Å; C709-E716 HydrophobicContact CB-CG 4.47Å
717S95Very high92.4Very high46 Ų4639.2 Ų39.232%0.32222%0.218SC..EExtended strand (participates in β ladder)trans-159.6155.3-178.362.20000112.4V698 P715V698-S717 CarbonylContact O-C 3.57Å; V698-S717 WeakPolarHBondContact O-CA 3.35Å; V698-S717 WeakPolarHBondContact O-CB 3.3Å; P715-S717 PolarHBondContact O-N 3.45Å
718F97.6Very high93Very high0 Ų036.4 Ų36.40%021%0.207CC..EExtended strand (participates in β ladder)trans-120.8121.1178.9-57.3-82000110.8T697 V698 V700 M714 P715 Y746 P751 L752 N754 Y868T697-F718 WeakPolarHBondContact CA-O 3.34Å; V698-F718 HydrophobicContact CG1-CB 3.77Å; V698-F718 HydrophobicContact CG1-CD2 4.18Å; V698-F718 HydrophobicContact CG1-CG 4.48Å; V698-F718 PolarHBondContact N-O 2.67Å; V698-F718 PolarHBondContact O-N 3.41Å; V700-F718 HydrophobicContact CG2-CD2 4.31Å; V700-F718 HydrophobicContact CG2-CE2 3.67Å; M714-F718 HydrophobicContact CE-CE2 3.82Å; M714-F718 HydrophobicContact CE-CZ 3.7Å; M714-F718 HydrophobicContact CG-CZ 4.02Å; P715-F718 HydrophobicContact CB-CE1 4.09Å; P715-F718 HydrophobicContact CB-CZ 4.26Å; P715-F718 HydrophobicContact CG-CE1 3.87Å; P715-F718 HydrophobicContact CG-CZ 4.24Å; F718-Y746 HydrophobicContact CB-CD1 4.18Å; F718-Y746 HydrophobicContact CB-CE1 4Å; F718-P751 HydrophobicContact CD1-CB 4.27Å; F718-P751 HydrophobicContact CE1-CB 4.2Å; F718-L752 WeakPolarHBondContact CE1-O 3.36Å; F718-N754 HydrophobicContact CB-CB 4.44Å; F718-N754 HydrophobicContact CD1-CB 4.06Å; F718-N754 HydrophobicContact CG-CB 4.33Å; F718-Y868 HydrophobicContact CD2-CD1 4.2Å; F718-Y868 HydrophobicContact CE2-CD1 4.21Å; F718-Y868 HydrophobicContact CE2-CG 4.33Å
719P97.6Very high93.4Very high49 Ų4936 Ų3632%0.31821%0.206SC..EExtended strand (participates in β ladder)trans-74.3143.9174.531.1-34.4000111.6K696 T697 Y746 C750K696-P719 CarbonylContact O-C 3.54Å; K696-P719 WeakPolarHBondContact O-CA 3.48Å; T697-P719 HydrophobicContact CG2-CB 4.27Å; P719-Y746 WeakPolarHBondContact O-CD1 3.41Å; P719-C750 HydrophobicContact CG-CB 4.27Å; P719-C750 PolarHBondContact O-SG 3.15Å
720Y97.7Very high93.8Very high22 Ų2239.7 Ų39.79%0.08622%0.222CC..EExtended strand (participates in β ladder)trans-153.4159.5175.870.6-84.6000111.5K696 V698 V722 Q744 E745 Y746 E870K696-Y720 HydrophobicContact CB-CD1 4.19Å; K696-Y720 HydrophobicContact CB-CD2 4.39Å; K696-Y720 HydrophobicContact CB-CE1 3.67Å; K696-Y720 HydrophobicContact CB-CE2 3.91Å; K696-Y720 HydrophobicContact CD-CE2 4.4Å; K696-Y720 PolarHBondContact N-O 2.91Å; K696-Y720 PolarHBondContact O-N 3.38Å; K696-Y720 VanDerWaalsContact O-O 3.09Å; V698-Y720 HydrophobicContact CB-CE1 4.28Å; Y720-V722 HydrophobicContact CE2-CB 4.1Å; Y720-Q744 HydrophobicContact CD2-CB 3.64Å; Y720-Q744 HydrophobicContact CD2-CG 3.89Å; Y720-Q744 HydrophobicContact CE2-CB 3.97Å; Y720-Q744 HydrophobicContact CE2-CG 3.65Å; Y720-Q744 HydrophobicContact CG-CB 4.39Å; Y720-E745 CarbonylContact C-O 3.6Å; Y720-E745 VanDerWaalsContact CA-O 3.29Å; Y720-E745 WeakPolarHBondContact CA-O 3.42Å; Y720-Y746 AromaticContact CD1-CE1 3.83Å; Y720-Y746 HydrophobicContact CD1-CE1 3.83Å; Y720-Y746 AromaticContact CD1-CZ 3.85Å; Y720-Y746 HydrophobicContact CG-CD1 4.47Å; Y720-Y746 AromaticContact CG-CE1 3.94Å; Y720-Y746 HydrophobicContact CG-CE1 3.94Å; Y720-Y746 HydrophobicContact CG-CE2 4.26Å; Y720-Y746 AromaticContact CG-CZ 3.79Å; Y720-E870 HydrophobicContact CE1-CB 4.32Å
721R96Very high94.4Very high51 Ų5134.5 Ų34.519%0.19219%0.194CC..EExtended strand (participates in β ladder)trans-98.4124.1168.8-176.9163.5-68175.7-0.7109.9A694 D695 K723 E745 D992A694-R721 CarbonylContact O-C 3.27Å; A694-R721 WeakPolarHBondContact O-CA 3.47Å; D695-R721 IonicContact OD1-CZ 3.25Å; D695-R721 VanDerWaalsContact OD1-CZ 3.25Å; D695-R721 IonicContact OD1-NE 2.71Å; D695-R721 PolarHBondContact OD1-NE 3.36Å; D695-R721 IonicContact OD1-NH2 2.91Å; D695-R721 PolarHBondContact OD1-NH2 3.46Å; D695-R721 IonicContact OD2-CZ 3.96Å; D695-R721 IonicContact OD2-NH2 2.97Å; D695-R721 PolarHBondContact OD2-NH2 2.91Å; R721-K723 HydrophobicContact CG-CG 4.25Å; R721-E745 HydrophobicContact CB-CB 4.34Å; R721-E745 PolarHBondContact N-O 3.13Å; R721-E745 PolarHBondContact O-N 2.87Å; R721-D992 WeakPolarHBondContact CD-OD2 3.48Å; R721-D992 IonicContact CZ-OD2 3.7Å; R721-D992 IonicContact NE-OD2 3.88Å; R721-D992 IonicContact NH1-OD2 2.76Å; R721-D992 PolarHBondContact NH1-OD2 3.47Å
722V96.1Very high94.9Very high9 Ų934.5 Ų34.56%0.05519%0.194CC..EExtended strand (participates in β ladder)trans-81.9137.1165.663.70000109A693 A694 K696 Y720 V743 E1003A693-V722 CarbonylContact C-O 3.59Å; A693-V722 VanDerWaalsContact CA-O 3.29Å; A693-V722 WeakPolarHBondContact CA-O 3.35Å; A694-V722 HydrophobicContact CB-CG1 3.95Å; A694-V722 PolarHBondContact N-O 2.76Å; A694-V722 WeakPolarHBondContact O-CG1 3.39Å; A694-V722 PolarHBondContact O-N 3.43Å; K696-V722 HydrophobicContact CD-CB 4.41Å; K696-V722 HydrophobicContact CD-CG1 3.87Å; K696-V722 HydrophobicContact CG-CG1 4.26Å; Y720-V722 HydrophobicContact CE2-CB 4.1Å; V722-V743 WeakPolarHBondContact CA-O 3.43Å; V722-E1003 HydrophobicContact CG1-CG 3.89Å
723K97.4Very high95.2Very high3 Ų334.2 Ų34.21%0.01319%0.191CC..EExtended strand (participates in β ladder)trans-128.1140.9167-68.1176.5179.1159.10110.6L664 V690 A692 A693 R721 H742 V743 E745 D992L664-K723 HydrophobicContact CD2-CD 4Å; V690-K723 HydrophobicContact CG1-CB 4.43Å; A692-K723 CarbonylContact O-C 3.51Å; A692-K723 VanDerWaalsContact O-CA 3.3Å; A692-K723 WeakPolarHBondContact O-CA 3.34Å; A693-K723 HydrophobicContact CB-CG 4.03Å; R721-K723 HydrophobicContact CG-CG 4.25Å; K723-H742 WeakPolarHBondContact O-CA 3.31Å; K723-V743 HydrophobicContact CB-CG2 3.77Å; K723-V743 PolarHBondContact N-O 3.27Å; K723-V743 PolarHBondContact O-N 2.77Å; K723-E745 VanDerWaalsContact CE-OE2 3.27Å; K723-E745 WeakPolarHBondContact CE-OE2 3.32Å; K723-E745 IonicContact NZ-OE1 2.59Å; K723-E745 IonicContact NZ-OE2 2.78Å; K723-E745 PolarHBondContact NZ-OE2 3.4Å; K723-D992 VanDerWaalsContact CE-OD2 3.29Å; K723-D992 WeakPolarHBondContact CE-OD2 3.33Å; K723-D992 IonicContact NZ-OD1 2.83Å; K723-D992 PolarHBondContact NZ-OD1 2.85Å; K723-D992 VanDerWaalsContact NZ-OD1 3.14Å; K723-D992 IonicContact NZ-OD2 2.76Å; K723-D992 PolarHBondContact NZ-OD2 3.26Å
724A97.5Very high95.6Very high0 Ų030.1 Ų30.10%017%0.172CC..EExtended strand (participates in β ladder)trans-116.9115.8176.900000109.6V690 L691 A692 F726 H742 M1002V690-A724 CarbonylContact C-O 3.34Å; V690-A724 WeakPolarHBondContact CA-O 3.4Å; L691-A724 PolarHBondContact N-O 2.94Å; A692-A724 HydrophobicContact CB-CB 3.9Å; A692-A724 PolarHBondContact O-N 3.18Å; A724-F726 HydrophobicContact CB-CE2 4.11Å; A724-H742 WeakPolarHBondContact CB-NE2 3.48Å; A724-M1002 HydrophobicContact CB-CB 4.32Å; A724-M1002 WeakPolarHBondContact CB-O 3.44Å
725I98.3Very high95.9Very high1 Ų130.3 Ų30.31%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-119.3125.1-168.7-45.5176.3000108.8L664 L668 I688 V690 G740 L741 V743 Y786L664-I725 HydrophobicContact CD2-CD1 3.94Å; L668-I725 HydrophobicContact CD1-CG2 3.81Å; I688-I725 HydrophobicContact CG2-CG2 4.07Å; V690-I725 HydrophobicContact CG2-CG1 4.35Å; I725-G740 CarbonylContact O-C 3.52Å; I725-G740 WeakPolarHBondContact O-CA 3.5Å; I725-L741 HydrophobicContact CB-CB 4.36Å; I725-L741 HydrophobicContact CD1-CD2 4.26Å; I725-L741 PolarHBondContact N-O 3.04Å; I725-L741 PolarHBondContact O-N 3.23Å; I725-V743 HydrophobicContact CD1-CG2 4.38Å; I725-Y786 HydrophobicContact CD1-CD2 3.82Å; I725-Y786 HydrophobicContact CD1-CE2 4.17Å
726F98.4Very high96.1Very high0 Ų028.1 Ų28.10%016%0.158CC..EExtended strand (participates in β ladder)trans-129.6145.6-176.4-73.5-97.3000112.1I688 R689 L691 A724 F728 F739 I812 F813 M1002I688-F726 WeakPolarHBondContact CA-O 3.38Å; R689-F726 PolarHBondContact N-O 3.49Å; R689-F726 PolarHBondContact O-N 3.3Å; L691-F726 HydrophobicContact CB-CD2 4.33Å; L691-F726 HydrophobicContact CD1-CB 4.02Å; L691-F726 HydrophobicContact CD1-CD2 3.38Å; L691-F726 HydrophobicContact CD1-CE2 3.91Å; L691-F726 HydrophobicContact CD1-CG 3.79Å; L691-F726 HydrophobicContact CG-CB 4.4Å; L691-F726 HydrophobicContact CG-CD2 3.81Å; L691-F726 HydrophobicContact CG-CG 4.43Å; A724-F726 HydrophobicContact CB-CE2 4.11Å; F726-F728 HydrophobicContact CB-CE2 3.77Å; F726-F728 HydrophobicContact CB-CZ 4.11Å; F726-F739 WeakPolarHBondContact CA-O 3.45Å; F726-I812 HydrophobicContact CE1-CG2 3.71Å; F726-I812 HydrophobicContact CZ-CG2 3.72Å; F726-F813 HydrophobicContact CD1-CZ 4.16Å; F726-F813 HydrophobicContact CE1-CE1 4.35Å; F726-F813 HydrophobicContact CE1-CZ 4.15Å; F726-M1002 HydrophobicContact CE2-SD 3.72Å; F726-M1002 HydrophobicContact CZ-SD 3.69Å
727A98.7Very high96.4Very high0 Ų022.8 Ų22.80%013%0.133CC..EExtended strand (participates in β ladder)trans-118.2139.6176.200000111.9V686 I687 I688 F738 F739 L782V686-A727 HydrophobicContact CG1-CB 4.25Å; I687-A727 CarbonylContact O-C 3.54Å; I687-A727 WeakPolarHBondContact O-CA 3.47Å; I688-A727 HydrophobicContact CG1-CB 4Å; A727-F738 HydrophobicContact CB-CE1 3.94Å; A727-F738 HydrophobicContact CB-CE2 4.43Å; A727-F738 HydrophobicContact CB-CZ 3.82Å; A727-F738 WeakPolarHBondContact O-CD1 3.49Å; A727-F738 PolarHBondContact O-N 2.77Å; A727-F739 HydrophobicContact CB-CB 4.18Å; A727-F739 PolarHBondContact N-O 3.39Å; A727-L782 HydrophobicContact CB-CD1 4.32Å; A727-L782 HydrophobicContact CB-CD2 4.4Å
728F98.7Very high96.5Very high0 Ų020.7 Ų20.70%012%0.119CC..EExtended strand (participates in β ladder)trans-129146.7-174.5-53.2-106.9000110.2A656 I687 R689 L691 F726 V736 C737 T1029 M1032 L1033A656-F728 HydrophobicContact CB-CB 4.04Å; A656-F728 HydrophobicContact CB-CD1 3.77Å; A656-F728 HydrophobicContact CB-CD2 3.78Å; A656-F728 HydrophobicContact CB-CE1 4.09Å; A656-F728 HydrophobicContact CB-CE2 4.14Å; A656-F728 HydrophobicContact CB-CG 3.61Å; A656-F728 HydrophobicContact CB-CZ 4.28Å; I687-F728 HydrophobicContact CB-CB 4.27Å; I687-F728 HydrophobicContact CD1-CB 4.32Å; I687-F728 PolarHBondContact N-O 2.96Å; I687-F728 PolarHBondContact O-N 3.01Å; R689-F728 HydrophobicContact CB-CE2 4.48Å; L691-F728 HydrophobicContact CD1-CZ 4.46Å; F726-F728 HydrophobicContact CB-CE2 3.77Å; F726-F728 HydrophobicContact CB-CZ 4.11Å; F728-V736 CarbonylContact C-O 3.57Å; F728-V736 VanDerWaalsContact CA-O 3.27Å; F728-V736 WeakPolarHBondContact CA-O 3.43Å; F728-C737 HydrophobicContact CD1-CB 3.67Å; F728-C737 HydrophobicContact CE1-CB 3.67Å; F728-C737 HydrophobicContact CG-CB 4.48Å; F728-C737 HydrophobicContact CZ-CB 4.46Å; F728-T1029 HydrophobicContact CD1-CG2 3.94Å; F728-T1029 HydrophobicContact CE1-CG2 4.11Å; F728-M1032 HydrophobicContact CE1-CE 3.41Å; F728-M1032 VanDerWaalsContact CE1-CE 3.41Å; F728-M1032 HydrophobicContact CZ-CE 3.66Å; F728-L1033 HydrophobicContact CE1-CD1 4.38Å; F728-L1033 HydrophobicContact CE1-CD2 3.74Å; F728-L1033 HydrophobicContact CE1-CG 4.19Å; F728-L1033 HydrophobicContact CZ-CD2 4.05Å
729Q97.6Very high96.6Very high3 Ų320.8 Ų20.81%0.01412%0.119CC..EExtended strand (participates in β ladder)trans-129.6138.6173.8-178.2175.235.900109.9A683 I731 E735 V736 F738 F769 R770A683-Q729 PolarHBondContact O-NE2 3.03Å; Q729-I731 HydrophobicContact CB-CD1 4.47Å; Q729-I731 HydrophobicContact CB-CG1 4.23Å; Q729-I731 HydrophobicContact CG-CD1 4.41Å; Q729-I731 HydrophobicContact CG-CG1 3.85Å; Q729-I731 PolarHBondContact O-N 3.08Å; Q729-E735 CarbonylContact O-C 3.53Å; Q729-E735 WeakPolarHBondContact O-CA 3.49Å; Q729-V736 PolarHBondContact N-O 3.31Å; Q729-V736 PolarHBondContact O-N 3.35Å; Q729-F738 HydrophobicContact CB-CD1 3.95Å; Q729-F738 HydrophobicContact CB-CE1 3.87Å; Q729-F769 VanDerWaalsContact CD-CE2 3.5Å; Q729-F769 HydrophobicContact CG-CE2 4.48Å; Q729-R770 PolarHBondContact NE2-O 3.34Å
730E95.9Very high96.6Very high90 Ų9018.4 Ų18.442%0.42110%0.104SC..EExtended strand (participates in β ladder)trans-77.9114.5169.5-165.9175.8153.800110K657K657-E730 IonicContact NZ-OE2 3.25Å; K657-E730 PolarHBondContact NZ-OE2 3.3Å
731I94.8Very high96.6Very high4 Ų417.5 Ų17.52%0.02110%0.1CC..EExtended strand (participates in β ladder)trans-123.2118.7-178-59-178.8000108.1Q729 G733 Q734 V736 R770 L1022 K1026Q729-I731 HydrophobicContact CB-CD1 4.47Å; Q729-I731 HydrophobicContact CB-CG1 4.23Å; Q729-I731 HydrophobicContact CG-CD1 4.41Å; Q729-I731 HydrophobicContact CG-CG1 3.85Å; Q729-I731 PolarHBondContact O-N 3.08Å; I731-G733 VanDerWaalsContact C-N 3.28Å; I731-G733 PolarHBondContact O-N 2.95Å; I731-Q734 PolarHBondContact N-O 3.46Å; I731-Q734 PolarHBondContact O-N 3.39Å; I731-Q734 VanDerWaalsContact O-N 3.16Å; I731-Q734 VanDerWaalsContact O-O 3.14Å; I731-V736 HydrophobicContact CB-CG2 4.23Å; I731-V736 HydrophobicContact CD1-CB 4.21Å; I731-V736 HydrophobicContact CD1-CG2 4.2Å; I731-V736 HydrophobicContact CG1-CG2 4.41Å; I731-R770 HydrophobicContact CD1-CG 4.37Å; I731-L1022 HydrophobicContact CD1-CD1 4.41Å; I731-L1022 HydrophobicContact CG2-CD1 4.49Å; I731-L1022 HydrophobicContact CG2-CD2 4.34Å; I731-K1026 VanDerWaalsContact O-CE 3.23Å; I731-K1026 WeakPolarHBondContact O-CE 3.42Å; I731-K1026 PolarHBondContact O-NZ 3.38Å
732D90.8Very high96.6Very high108 Ų10815.4 Ų15.458%0.5789%0.093SC*.THydrogen-bonded Turntrans50.145.4-175.2-23.7-61.5000112.4Q734 R770 K1026D732-Q734 VanDerWaalsContact C-N 3.33Å; D732-Q734 PolarHBondContact O-N 3.29Å; D732-R770 IonicContact OD1-CZ 2.63Å; D732-R770 IonicContact OD1-NH1 3.73Å; D732-R770 PolarHBondContact OD1-NH1 3.12Å; D732-R770 IonicContact OD1-NH2 3.1Å; D732-R770 PolarHBondContact OD1-NH2 2.88Å; D732-R770 IonicContact OD2-CZ 3.66Å; D732-R770 IonicContact OD2-NH1 2.79Å; D732-R770 IonicContact OD2-NH2 3.38Å; D732-R770 PolarHBondContact OD2-NH2 3.01Å; D732-K1026 IonicContact OD2-NZ 3.08Å; D732-K1026 PolarHBondContact OD2-NZ 3.49Å
733G89.1Confident96.7Very high61 Ų6115 Ų1563%0.6299%0.09SC*.THydrogen-bonded Turntrans74.511.4179.600000116.1I731I731-G733 VanDerWaalsContact C-N 3.28Å; I731-G733 PolarHBondContact O-N 2.95Å
734Q94.2Very high96.7Very high22 Ų2215.3 Ų15.310%0.1039%0.092CC..EExtended strand (participates in β ladder)trans-131.5130.1178.4174.758.356.100110.6I626 I731 D732 K1026I626-Q734 HydrophobicContact CD1-CG 4.32Å; I626-Q734 HydrophobicContact CG2-CG 4.25Å; I731-Q734 PolarHBondContact N-O 3.46Å; I731-Q734 PolarHBondContact O-N 3.39Å; I731-Q734 VanDerWaalsContact O-N 3.16Å; I731-Q734 VanDerWaalsContact O-O 3.14Å; D732-Q734 VanDerWaalsContact C-N 3.33Å; D732-Q734 PolarHBondContact O-N 3.29Å; Q734-K1026 HydrophobicContact CB-CD 4.02Å; Q734-K1026 HydrophobicContact CB-CG 4.33Å; Q734-K1026 HydrophobicContact CG-CB 3.91Å; Q734-K1026 HydrophobicContact CG-CD 3.93Å; Q734-K1026 HydrophobicContact CG-CG 3.77Å
735E96.9Very high96.7Very high10 Ų1015.7 Ų15.75%0.0479%0.093CC..EExtended strand (participates in β ladder)trans-65.3135.8173.7-66.7172.4150.600111.4T655 A656 K657 I687 Q729 T1029 L1033T655-E735 WeakPolarHBondContact CA-OE2 3.28Å; T655-E735 WeakPolarHBondContact CB-OE2 3.07Å; A656-E735 PolarHBondContact N-OE1 2.85Å; A656-E735 PolarHBondContact N-OE2 3.37Å; K657-E735 WeakPolarHBondContact CG-OE1 3.5Å; K657-E735 PolarHBondContact N-OE1 2.68Å; K657-E735 VanDerWaalsContact N-OE1 3.17Å; I687-E735 HydrophobicContact CD1-CG 4.13Å; I687-E735 WeakPolarHBondContact CD1-OE1 3.4Å; Q729-E735 CarbonylContact O-C 3.53Å; Q729-E735 WeakPolarHBondContact O-CA 3.49Å; E735-T1029 WeakPolarHBondContact O-CG2 3.34Å; E735-L1033 HydrophobicContact CB-CD1 4.45Å; E735-L1033 WeakPolarHBondContact OE2-CD1 3.44Å
736V97.7Very high96.7Very high0 Ų015.7 Ų15.70%09%0.093CC..EExtended strand (participates in β ladder)trans-126.8120.9176.1178.20000108.3F728 Q729 I731 L1022 A1025 K1026F728-V736 CarbonylContact C-O 3.57Å; F728-V736 VanDerWaalsContact CA-O 3.27Å; F728-V736 WeakPolarHBondContact CA-O 3.43Å; Q729-V736 PolarHBondContact N-O 3.31Å; Q729-V736 PolarHBondContact O-N 3.35Å; I731-V736 HydrophobicContact CB-CG2 4.23Å; I731-V736 HydrophobicContact CD1-CB 4.21Å; I731-V736 HydrophobicContact CD1-CG2 4.2Å; I731-V736 HydrophobicContact CG1-CG2 4.41Å; V736-L1022 HydrophobicContact CG2-CD1 4.08Å; V736-A1025 HydrophobicContact CG1-CB 4.18Å; V736-K1026 HydrophobicContact CG2-CB 4.39Å; V736-K1026 HydrophobicContact CG2-CD 4.4Å; V736-K1026 HydrophobicContact CG2-CG 3.37Å
737C98.4Very high96.7Very high0 Ų016 Ų160%010%0.096CC..EExtended strand (participates in β ladder)trans-72.5130167.4-162.60000109.1F728 V766 F813 T1029 M1032F728-C737 HydrophobicContact CD1-CB 3.67Å; F728-C737 HydrophobicContact CE1-CB 3.67Å; F728-C737 HydrophobicContact CG-CB 4.48Å; F728-C737 HydrophobicContact CZ-CB 4.46Å; C737-V766 WeakPolarHBondContact O-CG2 3.25Å; C737-F813 HydrophobicContact CB-CE1 4.28Å; C737-T1029 HydrophobicContact CB-CG2 4.1Å; C737-T1029 PolarHBondContact N-OG1 2.83Å; C737-M1032 HydrophobicContact CB-CE 3.92Å
738F97.9Very high96.6Very high2 Ų217.4 Ų17.41%0.00911%0.106CC..EExtended strand (participates in β ladder)trans-133.1-4.5-171.773-91.8000114.9V686 A727 Q729 S765 V766 F769 I778 Y779V686-F738 HydrophobicContact CG1-CE1 4.01Å; V686-F738 HydrophobicContact CG1-CZ 3.91Å; V686-F738 HydrophobicContact CG2-CE1 4.47Å; V686-F738 HydrophobicContact CG2-CZ 4.32Å; A727-F738 HydrophobicContact CB-CE1 3.94Å; A727-F738 HydrophobicContact CB-CE2 4.43Å; A727-F738 HydrophobicContact CB-CZ 3.82Å; A727-F738 WeakPolarHBondContact O-CD1 3.49Å; A727-F738 PolarHBondContact O-N 2.77Å; Q729-F738 HydrophobicContact CB-CD1 3.95Å; Q729-F738 HydrophobicContact CB-CE1 3.87Å; F738-S765 WeakPolarHBondContact O-CA 3.45Å; F738-S765 WeakPolarHBondContact O-CB 3.43Å; F738-V766 HydrophobicContact CB-CG2 4.4Å; F738-V766 PolarHBondContact O-N 3.13Å; F738-V766 VanDerWaalsContact O-N 3.1Å; F738-F769 HydrophobicContact CD2-CB 3.96Å; F738-F769 HydrophobicContact CD2-CD2 4.21Å; F738-F769 HydrophobicContact CD2-CG 4.47Å; F738-F769 HydrophobicContact CE1-CD2 4.08Å; F738-F769 HydrophobicContact CE2-CB 4.24Å; F738-F769 AromaticContact CE2-CD2 3.77Å; F738-F769 HydrophobicContact CE2-CD2 3.77Å; F738-F769 HydrophobicContact CE2-CG 4.27Å; F738-F769 HydrophobicContact CG-CB 4.4Å; F738-F769 AromaticContact CZ-CD2 3.7Å; F738-F769 HydrophobicContact CZ-CD2 3.7Å; F738-F769 HydrophobicContact CZ-CE2 4.31Å; F738-I778 HydrophobicContact CE2-CG2 4.43Å; F738-I778 HydrophobicContact CZ-CG2 4.47Å; F738-Y779 AromaticContact CD2-CE1 3.81Å; F738-Y779 HydrophobicContact CD2-CE1 3.81Å; F738-Y779 HydrophobicContact CE2-CD1 4.49Å; F738-Y779 AromaticContact CE2-CE1 3.85Å; F738-Y779 HydrophobicContact CE2-CE1 3.85Å
739F98.5Very high96.4Very high1 Ų123.6 Ų23.60%0.00414%0.135CC..EExtended strand (participates in β ladder)trans-156139.2-179.8178.6-87.2000110.2F726 A727 L741 L763 D764 Y779 L782F726-F739 WeakPolarHBondContact CA-O 3.45Å; A727-F739 HydrophobicContact CB-CB 4.18Å; A727-F739 PolarHBondContact N-O 3.39Å; F739-L741 HydrophobicContact CE1-CB 3.71Å; F739-L741 HydrophobicContact CE1-CD2 4.33Å; F739-L741 HydrophobicContact CZ-CB 4.2Å; F739-L763 HydrophobicContact CE2-CD1 3.75Å; F739-L763 HydrophobicContact CE2-CD2 4.22Å; F739-L763 HydrophobicContact CE2-CG 3.91Å; F739-L763 HydrophobicContact CZ-CD1 3.59Å; F739-L763 HydrophobicContact CZ-CG 4.01Å; F739-D764 WeakPolarHBondContact CA-O 3.36Å; F739-Y779 HydrophobicContact CB-CD1 4.39Å; F739-Y779 HydrophobicContact CB-CE1 4.03Å; F739-Y779 AromaticContact CD2-CD1 3.4Å; F739-Y779 HydrophobicContact CD2-CD1 3.4Å; F739-Y779 VanDerWaalsContact CD2-CD1 3.4Å; F739-Y779 AromaticContact CD2-CE1 3.68Å; F739-Y779 HydrophobicContact CD2-CE1 3.68Å; F739-Y779 HydrophobicContact CD2-CG 4.04Å; F739-Y779 AromaticContact CE2-CD1 3.96Å; F739-Y779 HydrophobicContact CE2-CD1 3.96Å; F739-Y779 HydrophobicContact CE2-CG 4.2Å; F739-Y779 HydrophobicContact CG-CD1 4.18Å; F739-Y779 HydrophobicContact CG-CE1 4.27Å; F739-L782 HydrophobicContact CB-CD1 4.44Å; F739-L782 HydrophobicContact CD1-CD1 3.72Å; F739-L782 HydrophobicContact CD2-CD1 4.21Å; F739-L782 HydrophobicContact CE1-CB 4.22Å; F739-L782 HydrophobicContact CE1-CD1 3.89Å; F739-L782 HydrophobicContact CE1-CD2 4.42Å; F739-L782 HydrophobicContact CE1-CG 4.42Å; F739-L782 HydrophobicContact CE2-CD1 4.36Å; F739-L782 HydrophobicContact CG-CD1 3.88Å; F739-L782 HydrophobicContact CZ-CB 4.24Å; F739-L782 HydrophobicContact CZ-CD1 4.21Å
740G97.7Very high96.4Very high0 Ų023.6 Ų23.60%014%0.135CC..EExtended strand (participates in β ladder)trans-138.6145.1176.700000111I725 L763 D764I725-G740 CarbonylContact O-C 3.52Å; I725-G740 WeakPolarHBondContact O-CA 3.5Å; G740-L763 WeakPolarHBondContact O-CA 3.34Å; G740-D764 PolarHBondContact N-O 3.13Å; G740-D764 PolarHBondContact O-N 3.21Å
741L97.4Very high96.4Very high2 Ų221.7 Ų21.71%0.0113%0.131CC..EExtended strand (participates in β ladder)trans-147.5118.9-174.616760.6000110.3I725 F739 V743 V760 Y762 L763 L783I725-L741 HydrophobicContact CB-CB 4.36Å; I725-L741 HydrophobicContact CD1-CD2 4.26Å; I725-L741 PolarHBondContact N-O 3.04Å; I725-L741 PolarHBondContact O-N 3.23Å; F739-L741 HydrophobicContact CE1-CB 3.71Å; F739-L741 HydrophobicContact CE1-CD2 4.33Å; F739-L741 HydrophobicContact CZ-CB 4.2Å; L741-V743 HydrophobicContact CD1-CG1 3.72Å; L741-V743 HydrophobicContact CD2-CG1 4.34Å; L741-V743 HydrophobicContact CG-CG1 3.91Å; L741-V760 HydrophobicContact CD1-CG1 3.74Å; L741-V760 HydrophobicContact CD1-CG2 4.45Å; L741-Y762 WeakPolarHBondContact CA-O 3.42Å; L741-L763 HydrophobicContact CD1-CB 4.31Å; L741-L763 HydrophobicContact CD1-CD1 4.39Å; L741-L783 HydrophobicContact CD1-CD2 4.48Å; L741-L783 HydrophobicContact CD2-CD2 4.09Å
742H96.4Very high96.4Very high8 Ų827.9 Ų27.94%0.03716%0.163CC..EExtended strand (participates in β ladder)trans-104126.6170.6-73.782.7000110.4K723 A724 A761 Y762 M1002K723-H742 WeakPolarHBondContact O-CA 3.31Å; A724-H742 WeakPolarHBondContact CB-NE2 3.48Å; H742-A761 PolarHBondContact O-N 2.95Å; H742-Y762 PolarHBondContact N-O 3.42Å; H742-Y762 PolarHBondContact O-N 3.21Å; H742-M1002 PolarHBondContact NE2-O 3.08Å
743V97.8Very high96.5Very high0 Ų023.1 Ų23.10%014%0.138CC..EExtended strand (participates in β ladder)trans-124.6152.1179.9-63.80000111.5V722 K723 I725 L741 E745 Y759 V760 Y786V722-V743 WeakPolarHBondContact CA-O 3.43Å; K723-V743 HydrophobicContact CB-CG2 3.77Å; K723-V743 PolarHBondContact N-O 3.27Å; K723-V743 PolarHBondContact O-N 2.77Å; I725-V743 HydrophobicContact CD1-CG2 4.38Å; L741-V743 HydrophobicContact CD1-CG1 3.72Å; L741-V743 HydrophobicContact CD2-CG1 4.34Å; L741-V743 HydrophobicContact CG-CG1 3.91Å; V743-E745 HydrophobicContact CG2-CG 4.39Å; V743-Y759 CarbonylContact C-O 3.56Å; V743-Y759 WeakPolarHBondContact CA-O 3.13Å; V743-V760 HydrophobicContact CG1-CG2 4.4Å; V743-Y786 HydrophobicContact CB-CE1 4.29Å; V743-Y786 HydrophobicContact CG1-CD1 4.31Å; V743-Y786 HydrophobicContact CG1-CE1 3.77Å; V743-Y786 HydrophobicContact CG1-CE2 4.43Å; V743-Y786 HydrophobicContact CG2-CE2 3.97Å
744Q98Very high96.9Very high10 Ų1020.2 Ų20.25%0.04711%0.109CC..EExtended strand (participates in β ladder)trans-115.8124.3173-56.6175.217.500108.7Y720 Y746 V758 Y759 A761 E870Y720-Q744 HydrophobicContact CD2-CB 3.64Å; Y720-Q744 HydrophobicContact CD2-CG 3.89Å; Y720-Q744 HydrophobicContact CE2-CB 3.97Å; Y720-Q744 HydrophobicContact CE2-CG 3.65Å; Y720-Q744 HydrophobicContact CG-CB 4.39Å; Q744-Y746 HydrophobicContact CB-CD2 4.35Å; Q744-Y746 HydrophobicContact CB-CE2 3.59Å; Q744-Y746 PolarHBondContact OE1-OH 2.92Å; Q744-V758 CarbonylContact O-C 3.59Å; Q744-V758 VanDerWaalsContact O-CA 3.3Å; Q744-V758 WeakPolarHBondContact O-CA 3.33Å; Q744-Y759 HydrophobicContact CG-CD1 4.28Å; Q744-Y759 PolarHBondContact N-O 3.12Å; Q744-Y759 PolarHBondContact O-N 3.13Å; Q744-A761 HydrophobicContact CG-CB 4.17Å; Q744-E870 PolarHBondContact NE2-O 3.27Å
745E98.4Very high97.1Very high8 Ų820.8 Ų20.84%0.03711%0.113CC..EExtended strand (participates in β ladder)trans-115.1104.5-174.9-59.8-172.2162.900110Y720 R721 K723 V743 V758 Y786 F795Y720-E745 CarbonylContact C-O 3.6Å; Y720-E745 VanDerWaalsContact CA-O 3.29Å; Y720-E745 WeakPolarHBondContact CA-O 3.42Å; R721-E745 HydrophobicContact CB-CB 4.34Å; R721-E745 PolarHBondContact N-O 3.13Å; R721-E745 PolarHBondContact O-N 2.87Å; K723-E745 VanDerWaalsContact CE-OE2 3.27Å; K723-E745 WeakPolarHBondContact CE-OE2 3.32Å; K723-E745 IonicContact NZ-OE1 2.59Å; K723-E745 IonicContact NZ-OE2 2.78Å; K723-E745 PolarHBondContact NZ-OE2 3.4Å; V743-E745 HydrophobicContact CG2-CG 4.39Å; E745-V758 HydrophobicContact CB-CG1 4.38Å; E745-V758 HydrophobicContact CG-CG1 4.04Å; E745-Y786 WeakPolarHBondContact CG-OH 3.42Å; E745-Y786 VanDerWaalsContact OE1-CE2 3.28Å; E745-Y786 WeakPolarHBondContact OE1-CE2 3.39Å; E745-Y786 PolarHBondContact OE1-OH 3.01Å; E745-F795 HydrophobicContact CB-CE1 3.98Å; E745-F795 HydrophobicContact CB-CZ 3.75Å; E745-F795 HydrophobicContact CG-CZ 4.39Å
746Y98.5Very high97.1Very high0 Ų021.8 Ų21.80%012%0.117CC..EExtended strand (participates in β ladder)trans-92.9106.2-179.7-63.8-99.2000108.5V698 F718 P719 Y720 Q744 N754 R756 R757 F795 F869 E870V698-Y746 HydrophobicContact CG1-CE1 4Å; F718-Y746 HydrophobicContact CB-CD1 4.18Å; F718-Y746 HydrophobicContact CB-CE1 4Å; P719-Y746 WeakPolarHBondContact O-CD1 3.41Å; Y720-Y746 AromaticContact CD1-CE1 3.83Å; Y720-Y746 HydrophobicContact CD1-CE1 3.83Å; Y720-Y746 AromaticContact CD1-CZ 3.85Å; Y720-Y746 HydrophobicContact CG-CD1 4.47Å; Y720-Y746 AromaticContact CG-CE1 3.94Å; Y720-Y746 HydrophobicContact CG-CE1 3.94Å; Y720-Y746 HydrophobicContact CG-CE2 4.26Å; Y720-Y746 AromaticContact CG-CZ 3.79Å; Q744-Y746 HydrophobicContact CB-CD2 4.35Å; Q744-Y746 HydrophobicContact CB-CE2 3.59Å; Q744-Y746 PolarHBondContact OE1-OH 2.92Å; Y746-N754 VanDerWaalsContact CB-O 3.26Å; Y746-N754 WeakPolarHBondContact CB-O 3.45Å; Y746-N754 HydrophobicContact CD1-CB 3.7Å; Y746-N754 VanDerWaalsContact CD1-ND2 3.29Å; Y746-N754 WeakPolarHBondContact CD1-ND2 3.46Å; Y746-N754 HydrophobicContact CE1-CB 4.39Å; Y746-N754 WeakPolarHBondContact CE1-ND2 3.26Å; Y746-N754 HydrophobicContact CG-CB 4.03Å; Y746-R756 CarbonylContact O-C 3.54Å; Y746-R756 WeakPolarHBondContact O-CA 3.3Å; Y746-R756 PolarHBondContact O-N 3.03Å; Y746-R757 WeakPolarHBondContact CB-O 3.33Å; Y746-R757 PolarHBondContact N-O 3.39Å; Y746-R757 PolarHBondContact O-N 3.24Å; Y746-F795 WeakPolarHBondContact O-CE1 3.32Å; Y746-F869 AromaticContact CD2-CD1 3.98Å; Y746-F869 HydrophobicContact CD2-CD1 3.98Å; Y746-F869 AromaticContact CD2-CE1 3.96Å; Y746-F869 HydrophobicContact CD2-CE1 3.96Å; Y746-F869 HydrophobicContact CE1-CD1 4.48Å; Y746-F869 AromaticContact CE2-CD1 3.39Å; Y746-F869 HydrophobicContact CE2-CD1 3.39Å; Y746-F869 AromaticContact CE2-CE1 3.86Å; Y746-F869 HydrophobicContact CE2-CE1 3.86Å; Y746-F869 HydrophobicContact CE2-CG 4.39Å; Y746-F869 AromaticContact CZ-CD1 3.71Å; Y746-E870 PolarHBondContact OH-N 3.28Å
747G97.5Very high97.2Very high6 Ų623.2 Ų23.26%0.06212%0.122CC..  trans-73.4-167-167.600000115.5E749 C750 R756G747-E749 VanDerWaalsContact C-N 3.3Å; G747-E749 WeakPolarHBondContact CA-OE1 3.31Å; G747-C750 WeakPolarHBondContact O-CB 3.11Å; G747-C750 PolarHBondContact O-N 3.06Å; G747-R756 PolarHBondContact O-N 2.94Å
748S96.7Very high97.2Very high31 Ų3123.3 Ų23.322%0.21712%0.122CC..SBendtrans-74.7-21.7179.545.10000114.3I990S748-I990 PolarHBondContact OG-N 3.28Å
749E94.4Very high97.2Very high130 Ų13023.5 Ų23.561%0.60712%0.123SC*.SBendtrans-91.8-10.6178.167.1-58.1137.300112.5G747G747-E749 VanDerWaalsContact C-N 3.3Å; G747-E749 WeakPolarHBondContact CA-OE1 3.31Å
750C97.3Very high97.1Very high2 Ų224.1 Ų24.11%0.01413%0.127CC..SBendtrans-71.3131.2171-173.40000110.2P719 G747 T755P719-C750 HydrophobicContact CG-CB 4.27Å; P719-C750 PolarHBondContact O-SG 3.15Å; G747-C750 WeakPolarHBondContact O-CB 3.11Å; G747-C750 PolarHBondContact O-N 3.06Å; C750-T755 WeakPolarHBondContact O-CA 3.36Å; C750-T755 VanDerWaalsContact O-CB 3.31Å; C750-T755 WeakPolarHBondContact O-CB 3.25Å; C750-T755 WeakPolarHBondContact O-CG2 3.39Å; C750-T755 PolarHBondContact O-OG1 3.14Å
751P96.2Very high96.7Very high50 Ų5025.1 Ų25.133%0.32514%0.135SC..PPolyproline II helixtrans-60161.7178.3-27.937.3000115.2P715 F718 N754 T755P715-P751 HydrophobicContact CB-CB 4.37Å; P715-P751 HydrophobicContact CB-CG 4.45Å; P715-P751 HydrophobicContact CG-CB 3.58Å; P715-P751 HydrophobicContact CG-CG 4.12Å; F718-P751 HydrophobicContact CD1-CB 4.27Å; F718-P751 HydrophobicContact CE1-CB 4.2Å; P751-N754 PolarHBondContact O-N 3.47Å; P751-T755 PolarHBondContact O-N 2.92Å; P751-T755 VanDerWaalsContact O-N 3.14Å; P751-T755 PolarHBondContact O-OG1 3.47Å
752L94.1Very high96.3Very high134 Ų13428.6 Ų28.670%0.70215%0.149SC*.THydrogen-bonded Turntrans-66144.1166.9-69.7173000110F718 T755F718-L752 WeakPolarHBondContact CE1-O 3.36Å; L752-T755 PolarHBondContact N-OG1 2.89Å; L752-T755 VanDerWaalsContact N-OG1 3.14Å
753P94.4Very high96.2Very high9 Ų929.6 Ų29.66%0.05815%0.154CC..THydrogen-bonded Turncis-83.6-4.68.631.6-35.4000115.8M714 R757 S864 E865 L866M714-P753 HydrophobicContact CE-CG 4.23Å; P753-R757 PolarHBondContact O-NE 3.43Å; P753-R757 PolarHBondContact O-NH2 2.77Å; P753-S864 WeakPolarHBondContact CG-O 3.44Å; P753-E865 WeakPolarHBondContact CB-O 3.39Å; P753-L866 VanDerWaalsContact CG-O 3.24Å; P753-L866 WeakPolarHBondContact CG-O 3.45Å
754N97.4Very high96.2Very high0 Ų030.2 Ų30.20%016%0.158CC..THydrogen-bonded Turntrans-84.7-12.3-167.8-76.519.7000116.2F718 Y746 P751 R756 R757 Y868F718-N754 HydrophobicContact CB-CB 4.44Å; F718-N754 HydrophobicContact CD1-CB 4.06Å; F718-N754 HydrophobicContact CG-CB 4.33Å; Y746-N754 VanDerWaalsContact CB-O 3.26Å; Y746-N754 WeakPolarHBondContact CB-O 3.45Å; Y746-N754 HydrophobicContact CD1-CB 3.7Å; Y746-N754 VanDerWaalsContact CD1-ND2 3.29Å; Y746-N754 WeakPolarHBondContact CD1-ND2 3.46Å; Y746-N754 HydrophobicContact CE1-CB 4.39Å; Y746-N754 WeakPolarHBondContact CE1-ND2 3.26Å; Y746-N754 HydrophobicContact CG-CB 4.03Å; P751-N754 PolarHBondContact O-N 3.47Å; N754-R756 PolarHBondContact O-N 3.34Å; N754-R757 WeakPolarHBondContact O-CB 3.19Å; N754-R757 WeakPolarHBondContact O-CG 3.28Å; N754-R757 PolarHBondContact O-N 3.3Å; N754-Y868 PolarHBondContact ND2-O 3.03Å; N754-Y868 PolarHBondContact OD1-N 3.38Å
755T97.2Very high96.2Very high33 Ų3330.9 Ų30.920%0.20216%0.163CC..THydrogen-bonded Turntrans-43.3125.7-177.8-47.10000114.2C750 P751 L752 R757C750-T755 WeakPolarHBondContact O-CA 3.36Å; C750-T755 VanDerWaalsContact O-CB 3.31Å; C750-T755 WeakPolarHBondContact O-CB 3.25Å; C750-T755 WeakPolarHBondContact O-CG2 3.39Å; C750-T755 PolarHBondContact O-OG1 3.14Å; P751-T755 PolarHBondContact O-N 2.92Å; P751-T755 VanDerWaalsContact O-N 3.14Å; P751-T755 PolarHBondContact O-OG1 3.47Å; L752-T755 PolarHBondContact N-OG1 2.89Å; L752-T755 VanDerWaalsContact N-OG1 3.14Å; T755-R757 VanDerWaalsContact C-N 3.29Å; T755-R757 PolarHBondContact O-N 2.85Å
756R97.9Very high96.1Very high31 Ų3130.5 Ų30.512%0.11716%0.161CC..THydrogen-bonded Turntrans59.425.6177.5-59.8178-179.1-95.35.1115.8Y746 G747 N754 G794 F795 T796 L987 P988 I990Y746-R756 CarbonylContact O-C 3.54Å; Y746-R756 WeakPolarHBondContact O-CA 3.3Å; Y746-R756 PolarHBondContact O-N 3.03Å; G747-R756 PolarHBondContact O-N 2.94Å; N754-R756 PolarHBondContact O-N 3.34Å; R756-G794 PolarHBondContact NH1-O 3.46Å; R756-F795 CarbonylContact O-C 3.57Å; R756-F795 WeakPolarHBondContact O-CA 3.17Å; R756-T796 HydrophobicContact CB-CG2 3.99Å; R756-T796 PolarHBondContact O-N 2.65Å; R756-T796 PolarHBondContact O-OG1 2.83Å; R756-L987 PolarHBondContact NH2-O 2.71Å; R756-P988 VanDerWaalsContact CZ-O 3.31Å; R756-P988 PolarHBondContact NH1-O 2.79Å; R756-P988 PolarHBondContact NH2-O 3.16Å; R756-I990 HydrophobicContact CB-CD1 4.26Å; R756-I990 HydrophobicContact CG-CD1 3.91Å; R756-I990 HydrophobicContact CG-CG1 4.47Å
757R98.5Very high96Very high31 Ų3132.6 Ų32.612%0.11717%0.17CC..EExtended strand (participates in β ladder)trans-97.4146.3175.4-60-177.4-171-100.38.3112.3Y746 P753 N754 T755 M797 H799 F869Y746-R757 WeakPolarHBondContact CB-O 3.33Å; Y746-R757 PolarHBondContact N-O 3.39Å; Y746-R757 PolarHBondContact O-N 3.24Å; P753-R757 PolarHBondContact O-NE 3.43Å; P753-R757 PolarHBondContact O-NH2 2.77Å; N754-R757 WeakPolarHBondContact O-CB 3.19Å; N754-R757 WeakPolarHBondContact O-CG 3.28Å; N754-R757 PolarHBondContact O-N 3.3Å; T755-R757 VanDerWaalsContact C-N 3.29Å; T755-R757 PolarHBondContact O-N 2.85Å; R757-M797 WeakPolarHBondContact CA-O 3.32Å; R757-M797 HydrophobicContact CG-CB 4.41Å; R757-M797 HydrophobicContact CG-CE 4.33Å; R757-M797 PolarHBondContact NH1-SD 2.88Å; R757-H799 PolarHBondContact NH1-NE2 3.3Å; R757-F869 HydrophobicContact CB-CE1 4.2Å; R757-F869 HydrophobicContact CB-CZ 4.22Å
758V98.6Very high95.9Very high1 Ų133.2 Ų33.21%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-114.5143.3162.5-55.80000110.4Q744 E745 Y786 A790 F795 M797 A798 H799Q744-V758 CarbonylContact O-C 3.59Å; Q744-V758 VanDerWaalsContact O-CA 3.3Å; Q744-V758 WeakPolarHBondContact O-CA 3.33Å; E745-V758 HydrophobicContact CB-CG1 4.38Å; E745-V758 HydrophobicContact CG-CG1 4.04Å; V758-Y786 HydrophobicContact CB-CE1 4.46Å; V758-Y786 HydrophobicContact CG2-CE1 4.13Å; V758-A790 HydrophobicContact CG1-CB 4.13Å; V758-A790 HydrophobicContact CG2-CB 4.39Å; V758-F795 HydrophobicContact CG1-CB 4.09Å; V758-F795 HydrophobicContact CG1-CD1 3.41Å; V758-F795 VanDerWaalsContact CG1-CD1 3.41Å; V758-F795 HydrophobicContact CG1-CD2 4.05Å; V758-F795 HydrophobicContact CG1-CE1 3.77Å; V758-F795 HydrophobicContact CG1-CE2 4.37Å; V758-F795 HydrophobicContact CG1-CG 3.58Å; V758-F795 HydrophobicContact CG1-CZ 4.25Å; V758-M797 PolarHBondContact N-O 2.67Å; V758-A798 HydrophobicContact CG2-CB 3.52Å; V758-A798 CarbonylContact O-C 3.52Å; V758-A798 WeakPolarHBondContact O-CA 3.48Å; V758-H799 PolarHBondContact O-N 2.85Å
759Y98.4Very high96Very high6 Ų631.7 Ų31.72%0.02416%0.16CC..EExtended strand (participates in β ladder)trans-128.1130.2178.7171-112.8000110.4V743 Q744 A761 H799 W801 F869 D872V743-Y759 CarbonylContact C-O 3.56Å; V743-Y759 WeakPolarHBondContact CA-O 3.13Å; Q744-Y759 HydrophobicContact CG-CD1 4.28Å; Q744-Y759 PolarHBondContact N-O 3.12Å; Q744-Y759 PolarHBondContact O-N 3.13Å; Y759-A761 HydrophobicContact CD1-CB 4.17Å; Y759-A761 HydrophobicContact CE1-CB 3.98Å; Y759-A761 PolarHBondContact O-N 3.13Å; Y759-H799 HydrophobicContact CD2-CB 3.89Å; Y759-W801 HydrophobicContact CE2-CB 4.34Å; Y759-F869 HydrophobicContact CD1-CB 3.79Å; Y759-F869 HydrophobicContact CD1-CD2 4.28Å; Y759-F869 HydrophobicContact CD1-CG 4.1Å; Y759-F869 AromaticContact CD2-CD2 3.63Å; Y759-F869 HydrophobicContact CD2-CD2 3.63Å; Y759-F869 HydrophobicContact CD2-CE2 4.02Å; Y759-F869 HydrophobicContact CD2-CG 4.26Å; Y759-F869 HydrophobicContact CE1-CB 4.08Å; Y759-F869 HydrophobicContact CE2-CD2 4.16Å; Y759-F869 HydrophobicContact CG-CB 4.07Å; Y759-F869 AromaticContact CG-CD2 3.7Å; Y759-F869 HydrophobicContact CG-CD2 3.7Å; Y759-F869 HydrophobicContact CG-CE2 4.23Å; Y759-F869 AromaticContact CG-CG 3.86Å; Y759-F869 HydrophobicContact CG-CG 3.86Å; Y759-D872 HydrophobicContact CE1-CB 4.36Å; Y759-D872 PolarHBondContact OH-OD1 3.19Å
760V96.4Very high96Very high15 Ų1530.2 Ų30.29%0.09115%0.149CC..EExtended strand (participates in β ladder)trans-81.6104.9172.51760000108.1L741 V743 L763 H799 I800L741-V760 HydrophobicContact CD1-CG1 3.74Å; L741-V760 HydrophobicContact CD1-CG2 4.45Å; V743-V760 HydrophobicContact CG1-CG2 4.4Å; V760-L763 HydrophobicContact CG1-CB 4.31Å; V760-H799 PolarHBondContact N-O 3.19Å; V760-I800 HydrophobicContact CB-CG1 4.27Å; V760-I800 HydrophobicContact CG2-CD1 4.49Å; V760-I800 HydrophobicContact CG2-CG1 4Å
761A89.8Confident95.9Very high20 Ų2031.6 Ų31.617%0.16516%0.158CC..EExtended strand (participates in β ladder)trans-82.6-44.4-175.200000112.4H742 Q744 Y759H742-A761 PolarHBondContact O-N 2.95Å; Q744-A761 HydrophobicContact CG-CB 4.17Å; Y759-A761 HydrophobicContact CD1-CB 4.17Å; Y759-A761 HydrophobicContact CE1-CB 3.98Å; Y759-A761 PolarHBondContact O-N 3.13Å
762Y89.3Confident95.9Very high75 Ų7535.4 Ų35.429%0.29417%0.169SC..EExtended strand (participates in β ladder)trans-144.7141.8173.9-63.7-81.9000109.8L741 H742 Y811 R1005L741-Y762 WeakPolarHBondContact CA-O 3.42Å; H742-Y762 PolarHBondContact N-O 3.42Å; H742-Y762 PolarHBondContact O-N 3.21Å; Y762-Y811 AromaticContact CD1-CD1 3.72Å; Y762-Y811 HydrophobicContact CD1-CD1 3.72Å; Y762-Y811 HydrophobicContact CD1-CE1 4.15Å; Y762-Y811 AromaticContact CD1-CG 3.97Å; Y762-Y811 HydrophobicContact CD1-CG 3.97Å; Y762-Y811 AromaticContact CE1-CD1 3.98Å; Y762-Y811 HydrophobicContact CE1-CD1 3.98Å; Y762-Y811 HydrophobicContact CE1-CE1 4.15Å; Y762-R1005 VanDerWaalsContact CE1-CD 3.45Å; Y762-R1005 VanDerWaalsContact CZ-CD 3.47Å
763L94.2Very high95.9Very high29 Ų2935.1 Ų35.115%0.15216%0.164CC..EExtended strand (participates in β ladder)trans-137.2135169.8174.4149.5000107.8F739 G740 L741 V760 L783F739-L763 HydrophobicContact CE2-CD1 3.75Å; F739-L763 HydrophobicContact CE2-CD2 4.22Å; F739-L763 HydrophobicContact CE2-CG 3.91Å; F739-L763 HydrophobicContact CZ-CD1 3.59Å; F739-L763 HydrophobicContact CZ-CG 4.01Å; G740-L763 WeakPolarHBondContact O-CA 3.34Å; L741-L763 HydrophobicContact CD1-CB 4.31Å; L741-L763 HydrophobicContact CD1-CD1 4.39Å; V760-L763 HydrophobicContact CG1-CB 4.31Å; L763-L783 HydrophobicContact CD1-CD1 3.78Å; L763-L783 HydrophobicContact CD1-CD2 3.77Å; L763-L783 HydrophobicContact CD1-CG 4.02Å
764D96.8Very high96Very high14 Ų1436.1 Ų36.18%0.07517%0.168CC..EExtended strand (participates in β ladder)trans-147.3159.8-178.5-156.21.3000111.8F739 G740 Y811 I812 F813 H816F739-D764 WeakPolarHBondContact CA-O 3.36Å; G740-D764 PolarHBondContact N-O 3.13Å; G740-D764 PolarHBondContact O-N 3.21Å; D764-Y811 PolarHBondContact OD2-N 3.19Å; D764-I812 HydrophobicContact CB-CB 3.79Å; D764-I812 HydrophobicContact CB-CD1 3.86Å; D764-I812 HydrophobicContact CB-CG1 3.8Å; D764-I812 PolarHBondContact OD2-N 3.49Å; D764-F813 HydrophobicContact CB-CD2 3.95Å; D764-F813 HydrophobicContact CB-CE2 4.28Å; D764-F813 PolarHBondContact OD2-N 3.43Å; D764-H816 IonicContact OD1-CE1 3.93Å; D764-H816 PolarHBondContact OD1-CE1 3.16Å; D764-H816 VanDerWaalsContact OD1-CE1 3.31Å; D764-H816 IonicContact OD1-NE2 2.6Å; D764-H816 PolarHBondContact OD1-NE2 3.3Å; D764-H816 IonicContact OD2-CE1 2.65Å; D764-H816 PolarHBondContact OD2-CE1 2.89Å; D764-H816 VanDerWaalsContact OD2-CE1 3.27Å; D764-H816 IonicContact OD2-NE2 2.66Å
765S97.1Very high96Very high23 Ų2339 Ų3916%0.16118%0.179CC..EExtended strand (participates in β ladder)trans-161.5139.6-177.971.40000113F738 Y779 H816 Q820F738-S765 WeakPolarHBondContact O-CA 3.45Å; F738-S765 WeakPolarHBondContact O-CB 3.43Å; S765-Y779 WeakPolarHBondContact CB-OH 3.28Å; S765-H816 PolarHBondContact O-NE2 2.84Å; S765-Q820 PolarHBondContact O-NE2 3.27Å
766V97Very high96Very high0 Ų039.7 Ų39.70%018%0.183CC..  trans-100.9132.5167.2-66.10000110.4C737 F738 F768 Y779 F813 F1019C737-V766 WeakPolarHBondContact O-CG2 3.25Å; F738-V766 HydrophobicContact CB-CG2 4.4Å; F738-V766 PolarHBondContact O-N 3.13Å; F738-V766 VanDerWaalsContact O-N 3.1Å; V766-F768 HydrophobicContact CB-CD2 3.86Å; V766-F768 HydrophobicContact CB-CE2 3.99Å; V766-F768 HydrophobicContact CG2-CD2 3.72Å; V766-F768 HydrophobicContact CG2-CE2 4.19Å; V766-F768 PolarHBondContact O-N 3.32Å; V766-Y779 PolarHBondContact O-OH 2.86Å; V766-F813 HydrophobicContact CG1-CB 3.78Å; V766-F813 HydrophobicContact CG1-CD2 4.19Å; V766-F813 HydrophobicContact CG1-CG 3.96Å; V766-F1019 HydrophobicContact CG1-CB 3.56Å; V766-F1019 HydrophobicContact CG1-CD1 4.44Å; V766-F1019 HydrophobicContact CG1-CG 4.29Å; V766-F1019 HydrophobicContact CG2-CD1 4.19Å
767Y96.2Very high95.9Very high45 Ų4541.3 Ų41.318%0.17619%0.192CC..THydrogen-bonded Turntrans-67.56.9-163.480.5-35.1000117.3F769 R775 P817 D819 Q820Y767-F769 PolarHBondContact O-N 2.94Å; Y767-R775 WeakPolarHBondContact O-CD 3.41Å; Y767-R775 PolarHBondContact O-NH1 3.38Å; Y767-P817 HydrophobicContact CD1-CB 4.21Å; Y767-P817 HydrophobicContact CD1-CG 3.77Å; Y767-P817 HydrophobicContact CE1-CB 3.65Å; Y767-P817 HydrophobicContact CE1-CG 3.6Å; Y767-D819 WeakPolarHBondContact CE2-OD2 3.4Å; Y767-D819 VanDerWaalsContact CZ-OD2 3.23Å; Y767-D819 PolarHBondContact OH-OD1 2.96Å; Y767-D819 PolarHBondContact OH-OD2 3.49Å; Y767-Q820 VanDerWaalsContact CB-OE1 3.29Å
768F96.3Very high95.9Very high18 Ų1839.8 Ų39.88%0.07919%0.186CC..THydrogen-bonded Turntrans-74.4-14.2-166.9-65.6-58.9000116.8V766 R770 P817 F1019 L1022 A1025V766-F768 HydrophobicContact CB-CD2 3.86Å; V766-F768 HydrophobicContact CB-CE2 3.99Å; V766-F768 HydrophobicContact CG2-CD2 3.72Å; V766-F768 HydrophobicContact CG2-CE2 4.19Å; V766-F768 PolarHBondContact O-N 3.32Å; F768-R770 PolarHBondContact O-N 2.81Å; F768-P817 HydrophobicContact CE1-CG 4.47Å; F768-P817 HydrophobicContact CE2-CG 3.95Å; F768-P817 HydrophobicContact CZ-CB 4.45Å; F768-P817 HydrophobicContact CZ-CG 3.6Å; F768-F1019 VanDerWaalsContact CE2-O 3.28Å; F768-F1019 WeakPolarHBondContact CE2-O 3.45Å; F768-L1022 HydrophobicContact CB-CD1 4.1Å; F768-L1022 HydrophobicContact CD1-CB 3.84Å; F768-L1022 HydrophobicContact CD1-CD1 4.17Å; F768-L1022 HydrophobicContact CE1-CB 3.86Å; F768-L1022 VanDerWaalsContact CE1-N 3.27Å; F768-L1022 HydrophobicContact CG-CB 4.49Å; F768-L1022 HydrophobicContact CG-CD1 4.07Å; F768-L1022 VanDerWaalsContact CZ-N 3.3Å; F768-A1025 HydrophobicContact CD2-CB 3.8Å; F768-A1025 HydrophobicContact CE2-CB 3.65Å
769F97.5Very high95.9Very high0 Ų040.2 Ų40.20%019%0.188CC..  trans-46.4136.1-179.8178.1-88.3000112.7L676 A683 V686 Q729 F738 Y767 P771 F774 R775 I778L676-F769 HydrophobicContact CD2-CZ 4.23Å; A683-F769 HydrophobicContact CB-CZ 3.96Å; V686-F769 HydrophobicContact CG2-CE2 3.74Å; Q729-F769 VanDerWaalsContact CD-CE2 3.5Å; Q729-F769 HydrophobicContact CG-CE2 4.48Å; F738-F769 HydrophobicContact CD2-CB 3.96Å; F738-F769 HydrophobicContact CD2-CD2 4.21Å; F738-F769 HydrophobicContact CD2-CG 4.47Å; F738-F769 HydrophobicContact CE1-CD2 4.08Å; F738-F769 HydrophobicContact CE2-CB 4.24Å; F738-F769 AromaticContact CE2-CD2 3.77Å; F738-F769 HydrophobicContact CE2-CD2 3.77Å; F738-F769 HydrophobicContact CE2-CG 4.27Å; F738-F769 HydrophobicContact CG-CB 4.4Å; F738-F769 AromaticContact CZ-CD2 3.7Å; F738-F769 HydrophobicContact CZ-CD2 3.7Å; F738-F769 HydrophobicContact CZ-CE2 4.31Å; Y767-F769 PolarHBondContact O-N 2.94Å; F769-P771 WeakPolarHBondContact CE1-O 3.3Å; F769-F774 HydrophobicContact CE1-CB 4.31Å; F769-R775 HydrophobicContact CB-CB 4.18Å; F769-R775 HydrophobicContact CB-CG 3.79Å; F769-R775 HydrophobicContact CD1-CB 3.91Å; F769-R775 HydrophobicContact CD1-CG 4.41Å; F769-R775 HydrophobicContact CG-CB 4.37Å; F769-R775 HydrophobicContact CG-CG 4.38Å; F769-I778 HydrophobicContact CD1-CD1 3.84Å; F769-I778 HydrophobicContact CD2-CD1 4.1Å; F769-I778 HydrophobicContact CE1-CD1 3.21Å; F769-I778 HydrophobicContact CE2-CD1 3.51Å; F769-I778 HydrophobicContact CG-CD1 4.26Å; F769-I778 HydrophobicContact CZ-CD1 3.04Å
770R95.5Very high95.9Very high99 Ų9940.2 Ų40.237%0.37419%0.188SC..SBendtrans-117.6139178.7-63.1-170.4-174166.99.1111.9A683 Q729 I731 D732 F768 L1022A683-R770 WeakPolarHBondContact CB-O 3.37Å; Q729-R770 PolarHBondContact NE2-O 3.34Å; I731-R770 HydrophobicContact CD1-CG 4.37Å; D732-R770 IonicContact OD1-CZ 2.63Å; D732-R770 IonicContact OD1-NH1 3.73Å; D732-R770 PolarHBondContact OD1-NH1 3.12Å; D732-R770 IonicContact OD1-NH2 3.1Å; D732-R770 PolarHBondContact OD1-NH2 2.88Å; D732-R770 IonicContact OD2-CZ 3.66Å; D732-R770 IonicContact OD2-NH1 2.79Å; D732-R770 IonicContact OD2-NH2 3.38Å; D732-R770 PolarHBondContact OD2-NH2 3.01Å; F768-R770 PolarHBondContact O-N 2.81Å; R770-L1022 VanDerWaalsContact NH2-CD2 3.26Å
771P95.9Very high95.9Very high31 Ų3140 Ų4020%0.20119%0.186CC..SBendcis-82.2145.2-3.636.7-36.2000110.3F769 Q773 F774F769-P771 WeakPolarHBondContact CE1-O 3.3Å; P771-Q773 PolarHBondContact O-N 3.35Å; P771-F774 HydrophobicContact CG-CD2 3.72Å; P771-F774 HydrophobicContact CG-CE2 4.09Å; P771-F774 PolarHBondContact O-N 2.82Å
772K94.5Very high96.3Very high130 Ų13039.2 Ų39.257%0.56518%0.179SC*.THydrogen-bonded Turntrans-58.9-25.5-161.3-69.9-174.8176.9-175.60114.6R775K772-R775 WeakPolarHBondContact O-CB 3.42Å
773Q95.2Very high96.8Very high127 Ų12735.6 Ų35.659%0.59317%0.165SC*.THydrogen-bonded Turntrans-64.2-39-178.564.2-81.814.500113.5P771 R775P771-Q773 PolarHBondContact O-N 3.35Å; Q773-R775 VanDerWaalsContact C-N 3.33Å; Q773-R775 PolarHBondContact O-N 3.34Å
774F96.6Very high97Very high31 Ų3134.2 Ų34.214%0.13616%0.158CC..THydrogen-bonded Turntrans-81.6-11.5-176.1-62.3-55.3000113.6K679 A681 F769 P771 T776 E777 I778K679-F774 HydrophobicContact CB-CE1 4.08Å; K679-F774 HydrophobicContact CB-CZ 4.09Å; K679-F774 HydrophobicContact CG-CE1 4.26Å; A681-F774 HydrophobicContact CB-CD2 3.48Å; A681-F774 VanDerWaalsContact CB-CD2 3.48Å; A681-F774 HydrophobicContact CB-CE2 3.4Å; A681-F774 VanDerWaalsContact CB-CE2 3.4Å; A681-F774 HydrophobicContact CB-CG 4.41Å; A681-F774 HydrophobicContact CB-CZ 4.27Å; F769-F774 HydrophobicContact CE1-CB 4.31Å; P771-F774 HydrophobicContact CG-CD2 3.72Å; P771-F774 HydrophobicContact CG-CE2 4.09Å; P771-F774 PolarHBondContact O-N 2.82Å; F774-T776 VanDerWaalsContact C-N 3.28Å; F774-T776 PolarHBondContact O-N 3.41Å; F774-T776 VanDerWaalsContact O-N 3.12Å; F774-E777 WeakPolarHBondContact CD1-OE2 3.41Å; F774-E777 PolarHBondContact O-N 2.86Å; F774-I778 HydrophobicContact CB-CD1 4.08Å; F774-I778 WeakPolarHBondContact O-CG1 3.37Å; F774-I778 PolarHBondContact O-N 3.02Å
775R96.4Very high97.1Very high59 Ų5933.6 Ų33.622%0.22315%0.154CC..Hα-helixtrans-49.1-44.8-175-172.9176.984.4-130.2-4.9113.7Y767 F769 K772 Q773 I778 Y779Y767-R775 WeakPolarHBondContact O-CD 3.41Å; Y767-R775 PolarHBondContact O-NH1 3.38Å; F769-R775 HydrophobicContact CB-CB 4.18Å; F769-R775 HydrophobicContact CB-CG 3.79Å; F769-R775 HydrophobicContact CD1-CB 3.91Å; F769-R775 HydrophobicContact CD1-CG 4.41Å; F769-R775 HydrophobicContact CG-CB 4.37Å; F769-R775 HydrophobicContact CG-CG 4.38Å; K772-R775 WeakPolarHBondContact O-CB 3.42Å; Q773-R775 VanDerWaalsContact C-N 3.33Å; Q773-R775 PolarHBondContact O-N 3.34Å; R775-I778 PolarHBondContact O-N 2.84Å; R775-Y779 VanDerWaalsContact CD-OH 3.28Å; R775-Y779 WeakPolarHBondContact CD-OH 3.42Å; R775-Y779 HydrophobicContact CG-CD2 4.4Å; R775-Y779 HydrophobicContact CG-CE1 4.06Å; R775-Y779 HydrophobicContact CG-CE2 3.64Å; R775-Y779 VanDerWaalsContact CG-CZ 3.42Å; R775-Y779 WeakPolarHBondContact CG-OH 3.36Å; R775-Y779 WeakPolarHBondContact O-CD2 3.37Å; R775-Y779 VanDerWaalsContact O-CG 3.25Å; R775-Y779 PolarHBondContact O-N 3.38Å
776T96.9Very high97.2Very high49 Ų4932.6 Ų32.630%0.30115%0.147SC..Hα-helixtrans-71.2-37.4179.4-640000112.4F774 I778 H780F774-T776 VanDerWaalsContact C-N 3.28Å; F774-T776 PolarHBondContact O-N 3.41Å; F774-T776 VanDerWaalsContact O-N 3.12Å; T776-I778 VanDerWaalsContact C-N 3.32Å; T776-H780 PolarHBondContact O-CD2 3.5Å; T776-H780 PolarHBondContact O-N 3.32Å; T776-H780 VanDerWaalsContact O-N 3.13Å
777E97.4Very high97.2Very high64 Ų6432.8 Ų32.830%0.29915%0.148SC..Hα-helixtrans-66.1-37.3176.6-64.6-17489.300110.8F675 K679 F774 H780 E781F675-E777 HydrophobicContact CE1-CB 3.99Å; F675-E777 HydrophobicContact CE2-CB 4.42Å; F675-E777 HydrophobicContact CZ-CB 3.54Å; F675-E777 HydrophobicContact CZ-CG 4.25Å; K679-E777 IonicContact NZ-OE1 3.53Å; K679-E777 PolarHBondContact NZ-OE1 2.72Å; K679-E777 IonicContact NZ-OE2 3.57Å; K679-E777 PolarHBondContact NZ-OE2 2.7Å; F774-E777 WeakPolarHBondContact CD1-OE2 3.41Å; F774-E777 PolarHBondContact O-N 2.86Å; E777-H780 CarbonylContact O-C 3.54Å; E777-H780 WeakPolarHBondContact O-CA 3.23Å; E777-H780 WeakPolarHBondContact O-CB 3.39Å; E777-H780 PolarHBondContact O-N 3.12Å; E777-H780 VanDerWaalsContact O-N 3.11Å; E777-E781 WeakPolarHBondContact O-CG 3.27Å; E777-E781 PolarHBondContact O-N 3.36Å
778I97.1Very high97.4Very high0 Ų033.2 Ų33.20%015%0.151CC..Hα-helixtrans-67.3-42.2177.8-64.8162.1000112V672 F675 L676 F738 F769 F774 R775 T776 H780 E781 L782V672-I778 HydrophobicContact CG1-CG2 3.81Å; F675-I778 HydrophobicContact CE1-CG1 4.4Å; L676-I778 HydrophobicContact CD2-CD1 3.8Å; L676-I778 HydrophobicContact CD2-CG1 4.31Å; L676-I778 HydrophobicContact CG-CD1 4.49Å; F738-I778 HydrophobicContact CE2-CG2 4.43Å; F738-I778 HydrophobicContact CZ-CG2 4.47Å; F769-I778 HydrophobicContact CD1-CD1 3.84Å; F769-I778 HydrophobicContact CD2-CD1 4.1Å; F769-I778 HydrophobicContact CE1-CD1 3.21Å; F769-I778 HydrophobicContact CE2-CD1 3.51Å; F769-I778 HydrophobicContact CG-CD1 4.26Å; F769-I778 HydrophobicContact CZ-CD1 3.04Å; F774-I778 HydrophobicContact CB-CD1 4.08Å; F774-I778 WeakPolarHBondContact O-CG1 3.37Å; F774-I778 PolarHBondContact O-N 3.02Å; R775-I778 PolarHBondContact O-N 2.84Å; T776-I778 VanDerWaalsContact C-N 3.32Å; I778-H780 PolarHBondContact O-N 3.4Å; I778-E781 PolarHBondContact O-N 2.83Å; I778-E781 VanDerWaalsContact O-N 3.1Å; I778-L782 HydrophobicContact CG2-CD1 4.07Å; I778-L782 WeakPolarHBondContact O-CB 3.35Å; I778-L782 WeakPolarHBondContact O-CG 3.29Å; I778-L782 PolarHBondContact O-N 3.39Å
779Y98.3Very high97.5Very high10 Ų1033.2 Ų33.24%0.03915%0.151CC..Hα-helixtrans-60.1-32.6171.4-60.4-20.8000111.8F738 F739 S765 V766 R775 L782 L783 W831F738-Y779 AromaticContact CD2-CE1 3.81Å; F738-Y779 HydrophobicContact CD2-CE1 3.81Å; F738-Y779 HydrophobicContact CE2-CD1 4.49Å; F738-Y779 AromaticContact CE2-CE1 3.85Å; F738-Y779 HydrophobicContact CE2-CE1 3.85Å; F739-Y779 HydrophobicContact CB-CD1 4.39Å; F739-Y779 HydrophobicContact CB-CE1 4.03Å; F739-Y779 AromaticContact CD2-CD1 3.4Å; F739-Y779 HydrophobicContact CD2-CD1 3.4Å; F739-Y779 VanDerWaalsContact CD2-CD1 3.4Å; F739-Y779 AromaticContact CD2-CE1 3.68Å; F739-Y779 HydrophobicContact CD2-CE1 3.68Å; F739-Y779 HydrophobicContact CD2-CG 4.04Å; F739-Y779 AromaticContact CE2-CD1 3.96Å; F739-Y779 HydrophobicContact CE2-CD1 3.96Å; F739-Y779 HydrophobicContact CE2-CG 4.2Å; F739-Y779 HydrophobicContact CG-CD1 4.18Å; F739-Y779 HydrophobicContact CG-CE1 4.27Å; S765-Y779 WeakPolarHBondContact CB-OH 3.28Å; V766-Y779 PolarHBondContact O-OH 2.86Å; R775-Y779 VanDerWaalsContact CD-OH 3.28Å; R775-Y779 WeakPolarHBondContact CD-OH 3.42Å; R775-Y779 HydrophobicContact CG-CD2 4.4Å; R775-Y779 HydrophobicContact CG-CE1 4.06Å; R775-Y779 HydrophobicContact CG-CE2 3.64Å; R775-Y779 VanDerWaalsContact CG-CZ 3.42Å; R775-Y779 WeakPolarHBondContact CG-OH 3.36Å; R775-Y779 WeakPolarHBondContact O-CD2 3.37Å; R775-Y779 VanDerWaalsContact O-CG 3.25Å; R775-Y779 PolarHBondContact O-N 3.38Å; Y779-L782 HydrophobicContact CD1-CD1 4.36Å; Y779-L783 PolarHBondContact O-N 2.85Å; Y779-W831 HydrophobicContact CD2-CZ2 4.2Å; Y779-W831 HydrophobicContact CG-CZ2 4.44Å
780H98.5Very high97.5Very high5 Ų533.2 Ų33.22%0.02315%0.151CC..Hα-helixtrans-72.9-40.2171.5-67.1-172.5000111.7T776 E777 I778 L782 L783 V784 W831 K834 M835 K838T776-H780 PolarHBondContact O-CD2 3.5Å; T776-H780 PolarHBondContact O-N 3.32Å; T776-H780 VanDerWaalsContact O-N 3.13Å; E777-H780 CarbonylContact O-C 3.54Å; E777-H780 WeakPolarHBondContact O-CA 3.23Å; E777-H780 WeakPolarHBondContact O-CB 3.39Å; E777-H780 PolarHBondContact O-N 3.12Å; E777-H780 VanDerWaalsContact O-N 3.11Å; I778-H780 PolarHBondContact O-N 3.4Å; H780-L782 VanDerWaalsContact C-N 3.33Å; H780-L782 PolarHBondContact O-N 3.29Å; H780-L783 PolarHBondContact O-N 2.66Å; H780-V784 VanDerWaalsContact O-CB 3.27Å; H780-V784 WeakPolarHBondContact O-CB 3.46Å; H780-V784 WeakPolarHBondContact O-CG2 3.48Å; H780-V784 PolarHBondContact O-N 3.01Å; H780-W831 AromaticContact CD2-CE2 3.69Å; H780-W831 AromaticContact CD2-CH2 3.75Å; H780-W831 AromaticContact CD2-CZ2 3.46Å; H780-W831 VanDerWaalsContact CD2-CZ2 3.46Å; H780-W831 WeakPolarHBondContact CD2-CZ2 3.39Å; H780-W831 PolarHBondContact CE1-O 3.3Å; H780-W831 VanDerWaalsContact CE1-O 3.24Å; H780-W831 AromaticContact NE2-CD1 3.12Å; H780-W831 AromaticContact NE2-CD2 2.47Å; H780-W831 AromaticContact NE2-CE2 2.44Å; H780-W831 AromaticContact NE2-CE3 3.06Å; H780-W831 AromaticContact NE2-CG 2.95Å; H780-W831 AromaticContact NE2-CH2 3.51Å; H780-W831 AromaticContact NE2-CZ2 3.02Å; H780-W831 WeakPolarHBondContact NE2-CZ2 3.44Å; H780-W831 AromaticContact NE2-CZ3 3.52Å; H780-W831 AromaticContact NE2-NE1 2.84Å; H780-W831 PolarHBondContact NE2-NE1 2.97Å; H780-W831 PolarHBondContact NE2-O 3.09Å; H780-K834 WeakPolarHBondContact CE1-CB 3.46Å; H780-K834 WeakPolarHBondContact CE1-CD 3.28Å; H780-K834 WeakPolarHBondContact CE1-CG 3.5Å; H780-M835 HydrophobicContact CB-CB 4.44Å; H780-M835 HydrophobicContact CB-CG 4.09Å; H780-M835 PolarHBondContact CE1-N 3.24Å; H780-K838 HydrophobicContact CB-CD 4.5Å
781E98.3Very high97.6Very high10 Ų1030.3 Ų30.35%0.04714%0.141CC..Hα-helixtrans-64-36175.5-65.7-54.3165.600113.3R671 V672 F675 E777 I778 G785 K838R671-E781 IonicContact CZ-OE2 2.74Å; R671-E781 IonicContact NE-OE2 2.8Å; R671-E781 PolarHBondContact NE-OE2 3.34Å; R671-E781 IonicContact NH2-OE2 2.69Å; R671-E781 PolarHBondContact NH2-OE2 3Å; V672-E781 HydrophobicContact CG2-CB 4.12Å; F675-E781 HydrophobicContact CB-CG 4.03Å; F675-E781 HydrophobicContact CD1-CG 4.07Å; F675-E781 HydrophobicContact CD2-CG 3.85Å; F675-E781 WeakPolarHBondContact CD2-OE1 3.27Å; F675-E781 HydrophobicContact CE2-CG 4.34Å; F675-E781 WeakPolarHBondContact CE2-OE1 3.44Å; F675-E781 HydrophobicContact CG-CG 3.71Å; E777-E781 WeakPolarHBondContact O-CG 3.27Å; E777-E781 PolarHBondContact O-N 3.36Å; I778-E781 PolarHBondContact O-N 2.83Å; I778-E781 VanDerWaalsContact O-N 3.1Å; E781-G785 WeakPolarHBondContact O-CA 3.43Å; E781-G785 PolarHBondContact O-N 3.12Å; E781-K838 WeakPolarHBondContact OE1-CE 3.47Å; E781-K838 IonicContact OE1-NZ 2.69Å; E781-K838 PolarHBondContact OE1-NZ 3.48Å; E781-K838 IonicContact OE2-NZ 3.04Å; E781-K838 PolarHBondContact OE2-NZ 3.44Å
782L98.3Very high97.7Very high4 Ų434.1 Ų34.12%0.02116%0.159CC..Hα-helixtrans-60.2-53.7172.7-80.7157.8000111.4V672 I688 A727 F739 I778 Y779 H780 G785 Y786V672-L782 HydrophobicContact CG2-CD2 4.37Å; V672-L782 HydrophobicContact CG2-CG 4.11Å; I688-L782 HydrophobicContact CD1-CD2 3.45Å; I688-L782 VanDerWaalsContact CD1-CD2 3.45Å; I688-L782 HydrophobicContact CG1-CD2 4.3Å; A727-L782 HydrophobicContact CB-CD1 4.32Å; A727-L782 HydrophobicContact CB-CD2 4.4Å; F739-L782 HydrophobicContact CB-CD1 4.44Å; F739-L782 HydrophobicContact CD1-CD1 3.72Å; F739-L782 HydrophobicContact CD2-CD1 4.21Å; F739-L782 HydrophobicContact CE1-CB 4.22Å; F739-L782 HydrophobicContact CE1-CD1 3.89Å; F739-L782 HydrophobicContact CE1-CD2 4.42Å; F739-L782 HydrophobicContact CE1-CG 4.42Å; F739-L782 HydrophobicContact CE2-CD1 4.36Å; F739-L782 HydrophobicContact CG-CD1 3.88Å; F739-L782 HydrophobicContact CZ-CB 4.24Å; F739-L782 HydrophobicContact CZ-CD1 4.21Å; I778-L782 HydrophobicContact CG2-CD1 4.07Å; I778-L782 WeakPolarHBondContact O-CB 3.35Å; I778-L782 WeakPolarHBondContact O-CG 3.29Å; I778-L782 PolarHBondContact O-N 3.39Å; Y779-L782 HydrophobicContact CD1-CD1 4.36Å; H780-L782 VanDerWaalsContact C-N 3.33Å; H780-L782 PolarHBondContact O-N 3.29Å; L782-G785 PolarHBondContact O-N 3.34Å; L782-Y786 WeakPolarHBondContact O-CB 3.5Å; L782-Y786 PolarHBondContact O-N 2.89Å
783L98.6Very high97.8Very high0 Ų029.4 Ų29.40%014%0.14CC..Hα-helixtrans-68.3-45-179.4-74.9173.6000112.9L741 L763 Y779 H780 G785 Y786 I787 W831 Y832 M835L741-L783 HydrophobicContact CD1-CD2 4.48Å; L741-L783 HydrophobicContact CD2-CD2 4.09Å; L763-L783 HydrophobicContact CD1-CD1 3.78Å; L763-L783 HydrophobicContact CD1-CD2 3.77Å; L763-L783 HydrophobicContact CD1-CG 4.02Å; Y779-L783 PolarHBondContact O-N 2.85Å; H780-L783 PolarHBondContact O-N 2.66Å; L783-G785 VanDerWaalsContact C-N 3.29Å; L783-G785 PolarHBondContact O-N 3.27Å; L783-Y786 PolarHBondContact O-N 3.17Å; L783-I787 WeakPolarHBondContact O-CB 2.83Å; L783-I787 VanDerWaalsContact O-CG1 3.28Å; L783-I787 WeakPolarHBondContact O-CG1 3.3Å; L783-I787 PolarHBondContact O-N 2.72Å; L783-W831 HydrophobicContact CD1-CH2 3.64Å; L783-W831 HydrophobicContact CD1-CZ3 3.6Å; L783-Y832 HydrophobicContact CD1-CE1 4.03Å; L783-M835 HydrophobicContact CB-CE 4.1Å; L783-M835 HydrophobicContact CB-CG 4.05Å; L783-M835 HydrophobicContact CB-SD 3.97Å; L783-M835 HydrophobicContact CD1-CE 4.15Å; L783-M835 HydrophobicContact CD1-CG 4.32Å
784V98.7Very high97.9Very high0 Ų023.6 Ų23.60%011%0.114CC..Hα-helixtrans-64.4-37.2176.6176.60000110.5H780 H788 M835 A839 I844H780-V784 VanDerWaalsContact O-CB 3.27Å; H780-V784 WeakPolarHBondContact O-CB 3.46Å; H780-V784 WeakPolarHBondContact O-CG2 3.48Å; H780-V784 PolarHBondContact O-N 3.01Å; V784-H788 VanDerWaalsContact O-CB 3.28Å; V784-H788 WeakPolarHBondContact O-CB 3.49Å; V784-H788 PolarHBondContact O-N 3.2Å; V784-M835 HydrophobicContact CG2-CG 3.91Å; V784-M835 HydrophobicContact CG2-SD 3.59Å; V784-M835 VanDerWaalsContact CG2-SD 3.59Å; V784-A839 HydrophobicContact CG1-CB 4.16Å; V784-A839 HydrophobicContact CG2-CB 4.02Å; V784-I844 HydrophobicContact CG1-CD1 3.44Å; V784-I844 VanDerWaalsContact CG1-CD1 3.44Å
785G98.6Very high98Very high0 Ų022.3 Ų22.30%011%0.109CC..Hα-helixtrans-62-47.1171.900000112.7F667 L668 E781 L782 L783 H788 Y789F667-G785 WeakPolarHBondContact CE1-O 3.14Å; L668-G785 VanDerWaalsContact CD2-C 3.43Å; E781-G785 WeakPolarHBondContact O-CA 3.43Å; E781-G785 PolarHBondContact O-N 3.12Å; L782-G785 PolarHBondContact O-N 3.34Å; L783-G785 VanDerWaalsContact C-N 3.29Å; L783-G785 PolarHBondContact O-N 3.27Å; G785-H788 PolarHBondContact O-N 3.19Å; G785-Y789 PolarHBondContact O-N 3.48Å
786Y98.8Very high98.1Very high2 Ų219.9 Ų19.91%0.00810%0.1CC..Hα-helixtrans-62.8-47.7178.4174.1-103000111.6L664 I725 V743 E745 V758 L782 L783 H788 Y789 A790L664-Y786 HydrophobicContact CD1-CD2 4.16Å; L664-Y786 HydrophobicContact CD2-CD2 4.49Å; L664-Y786 HydrophobicContact CD2-CE2 4.46Å; I725-Y786 HydrophobicContact CD1-CD2 3.82Å; I725-Y786 HydrophobicContact CD1-CE2 4.17Å; V743-Y786 HydrophobicContact CB-CE1 4.29Å; V743-Y786 HydrophobicContact CG1-CD1 4.31Å; V743-Y786 HydrophobicContact CG1-CE1 3.77Å; V743-Y786 HydrophobicContact CG1-CE2 4.43Å; V743-Y786 HydrophobicContact CG2-CE2 3.97Å; E745-Y786 WeakPolarHBondContact CG-OH 3.42Å; E745-Y786 VanDerWaalsContact OE1-CE2 3.28Å; E745-Y786 WeakPolarHBondContact OE1-CE2 3.39Å; E745-Y786 PolarHBondContact OE1-OH 3.01Å; V758-Y786 HydrophobicContact CB-CE1 4.46Å; V758-Y786 HydrophobicContact CG2-CE1 4.13Å; L782-Y786 WeakPolarHBondContact O-CB 3.5Å; L782-Y786 PolarHBondContact O-N 2.89Å; L783-Y786 PolarHBondContact O-N 3.17Å; Y786-H788 VanDerWaalsContact C-N 3.26Å; Y786-H788 PolarHBondContact O-N 3.41Å; Y786-Y789 PolarHBondContact O-N 2.85Å; Y786-Y789 VanDerWaalsContact O-N 3.12Å; Y786-A790 PolarHBondContact O-N 3.33Å
787I98.6Very high98.1Very high5 Ų519 Ų193%0.0269%0.093CC..Hα-helixtrans-60.5-37.1177-67.8168.6000111.1L783 K791 M835 L836 I844 V845 L978L783-I787 WeakPolarHBondContact O-CB 2.83Å; L783-I787 VanDerWaalsContact O-CG1 3.28Å; L783-I787 WeakPolarHBondContact O-CG1 3.3Å; L783-I787 PolarHBondContact O-N 2.72Å; I787-K791 WeakPolarHBondContact O-CB 3.27Å; I787-K791 PolarHBondContact O-N 3.3Å; I787-M835 HydrophobicContact CD1-CE 3.95Å; I787-M835 HydrophobicContact CD1-SD 4.16Å; I787-L836 HydrophobicContact CD1-CD2 4.4Å; I787-I844 HydrophobicContact CG2-CG2 4.06Å; I787-V845 HydrophobicContact CG2-CG2 4.08Å; I787-L978 HydrophobicContact CG2-CD1 4.47Å; I787-L978 HydrophobicContact CG2-CD2 3.46Å; I787-L978 VanDerWaalsContact CG2-CD2 3.46Å
788H98.7Very high98.1Very high53 Ų5316.2 Ų16.225%0.2458%0.081CC..Hα-helixtrans-66.5-43.1174-169.3-169000112.4F667 V784 G785 Y786 K791 L792 I844F667-H788 HydrophobicContact CE1-CB 4.37Å; F667-H788 HydrophobicContact CZ-CB 4.43Å; F667-H788 AromaticContact CZ-ND1 3.75Å; V784-H788 VanDerWaalsContact O-CB 3.28Å; V784-H788 WeakPolarHBondContact O-CB 3.49Å; V784-H788 PolarHBondContact O-N 3.2Å; G785-H788 PolarHBondContact O-N 3.19Å; Y786-H788 VanDerWaalsContact C-N 3.26Å; Y786-H788 PolarHBondContact O-N 3.41Å; H788-K791 WeakPolarHBondContact O-CB 3.44Å; H788-K791 PolarHBondContact O-N 2.97Å; H788-L792 VanDerWaalsContact O-CG 3.31Å; H788-L792 WeakPolarHBondContact O-CG 3.25Å; H788-L792 PolarHBondContact O-N 2.98Å; H788-I844 HydrophobicContact CB-CD1 4.01Å; H788-I844 HydrophobicContact CB-CG1 4.15Å; H788-I844 HydrophobicContact CB-CG2 3.77Å
789Y98.6Very high98.2Very high18 Ų1817.1 Ų17.17%0.0719%0.085CC..Hα-helixtrans-62.6-45176.4-167.7-98.9000111.6K663 L664 F667 G785 Y786 K791 L792 L793 P993 D994K663-Y789 WeakPolarHBondContact CB-OH 3.4Å; L664-Y789 HydrophobicContact CB-CD1 4.19Å; L664-Y789 HydrophobicContact CB-CE1 3.68Å; L664-Y789 HydrophobicContact CB-CE2 4.48Å; L664-Y789 HydrophobicContact CD1-CD1 3.58Å; L664-Y789 HydrophobicContact CD1-CD2 4.41Å; L664-Y789 HydrophobicContact CD1-CE1 4.02Å; L664-Y789 HydrophobicContact CD1-CG 3.77Å; L664-Y789 HydrophobicContact CG-CD1 4.32Å; L664-Y789 HydrophobicContact CG-CE1 4.28Å; L664-Y789 PolarHBondContact N-OH 2.99Å; F667-Y789 HydrophobicContact CB-CD2 4.02Å; F667-Y789 HydrophobicContact CB-CE2 4.26Å; F667-Y789 AromaticContact CD1-CD2 3.86Å; F667-Y789 HydrophobicContact CD1-CD2 3.86Å; F667-Y789 HydrophobicContact CD1-CG 4.38Å; F667-Y789 HydrophobicContact CD2-CD2 4.24Å; F667-Y789 HydrophobicContact CE1-CD2 4.35Å; F667-Y789 AromaticContact CG-CD2 3.79Å; F667-Y789 HydrophobicContact CG-CD2 3.79Å; F667-Y789 HydrophobicContact CG-CE2 4.43Å; G785-Y789 PolarHBondContact O-N 3.48Å; Y786-Y789 PolarHBondContact O-N 2.85Å; Y786-Y789 VanDerWaalsContact O-N 3.12Å; Y789-K791 PolarHBondContact O-N 2.89Å; Y789-L792 PolarHBondContact O-N 2.88Å; Y789-L792 VanDerWaalsContact O-N 3.14Å; Y789-L793 HydrophobicContact CD1-CD1 3.95Å; Y789-L793 HydrophobicContact CD1-CG 4.22Å; Y789-L793 HydrophobicContact CE1-CD1 3.66Å; Y789-L793 HydrophobicContact CE1-CD2 4.45Å; Y789-L793 HydrophobicContact CE1-CG 4.09Å; Y789-L793 PolarHBondContact O-N 3.49Å; Y789-P993 WeakPolarHBondContact OH-CG 3.09Å; Y789-D994 PolarHBondContact OH-OD2 3.25Å
790A98.2Very high98.2Very high0 Ų016.9 Ų16.90%08%0.084CC..Hα-helixtrans-59.4-43.9174.800000112.1V758 Y786 L792 L793 G794 F795V758-A790 HydrophobicContact CG1-CB 4.13Å; V758-A790 HydrophobicContact CG2-CB 4.39Å; Y786-A790 PolarHBondContact O-N 3.33Å; A790-L792 VanDerWaalsContact C-N 3.32Å; A790-L792 PolarHBondContact O-N 2.85Å; A790-L793 PolarHBondContact O-N 3.36Å; A790-G794 PolarHBondContact O-N 3.22Å; A790-F795 HydrophobicContact CB-CB 4.17Å; A790-F795 HydrophobicContact CB-CD2 3.99Å; A790-F795 HydrophobicContact CB-CG 4.34Å; A790-F795 WeakPolarHBondContact O-CB 3.27Å; A790-F795 WeakPolarHBondContact O-CD2 3.01Å; A790-F795 PolarHBondContact O-N 3.29Å
791K97.8Very high98Very high39 Ų3920.1 Ų20.117%0.1710%0.096CC..Hα-helixtrans-56.8-43.7173.3175.8168.7176.1157.10112.4I787 H788 Y789 G794 R843 I844 L978 H979I787-K791 WeakPolarHBondContact O-CB 3.27Å; I787-K791 PolarHBondContact O-N 3.3Å; H788-K791 WeakPolarHBondContact O-CB 3.44Å; H788-K791 PolarHBondContact O-N 2.97Å; Y789-K791 PolarHBondContact O-N 2.89Å; K791-G794 PolarHBondContact O-N 2.65Å; K791-R843 PolarHBondContact NZ-O 2.94Å; K791-I844 WeakPolarHBondContact CD-O 3.46Å; K791-I844 WeakPolarHBondContact CE-O 3.46Å; K791-I844 PolarHBondContact NZ-O 3.02Å; K791-L978 HydrophobicContact CB-CB 4.13Å; K791-L978 HydrophobicContact CB-CD1 4.27Å; K791-L978 HydrophobicContact CD-CB 4.3Å; K791-L978 VanDerWaalsContact CD-O 3.29Å; K791-L978 WeakPolarHBondContact CD-O 3.41Å; K791-L978 WeakPolarHBondContact CE-O 3.49Å; K791-L978 HydrophobicContact CG-CB 4.23Å; K791-L978 PolarHBondContact NZ-O 3.43Å; K791-H979 PolarHBondContact O-NE2 3.03Å
792L97.5Very high97.7Very high110 Ų11019.6 Ų19.658%0.5769%0.094SC*.Hα-helixtrans-68.3-32179.5-69.5169.5000113F667 H788 Y789 A790 G794F667-L792 HydrophobicContact CE2-CD1 4.1Å; F667-L792 HydrophobicContact CZ-CD1 4.04Å; H788-L792 VanDerWaalsContact O-CG 3.31Å; H788-L792 WeakPolarHBondContact O-CG 3.25Å; H788-L792 PolarHBondContact O-N 2.98Å; Y789-L792 PolarHBondContact O-N 2.88Å; Y789-L792 VanDerWaalsContact O-N 3.14Å; A790-L792 VanDerWaalsContact C-N 3.32Å; A790-L792 PolarHBondContact O-N 2.85Å; L792-G794 VanDerWaalsContact C-N 3.26Å; L792-G794 PolarHBondContact O-N 2.75Å
793L97.6Very high97.1Very high31 Ų3121.5 Ų21.516%0.16211%0.107CC..Hα-helixtrans-73.4-13.9172.3-67.4-173.3000113.9Y789 A790 F795 I990 P993Y789-L793 HydrophobicContact CD1-CD1 3.95Å; Y789-L793 HydrophobicContact CD1-CG 4.22Å; Y789-L793 HydrophobicContact CE1-CD1 3.66Å; Y789-L793 HydrophobicContact CE1-CD2 4.45Å; Y789-L793 HydrophobicContact CE1-CG 4.09Å; Y789-L793 PolarHBondContact O-N 3.49Å; A790-L793 PolarHBondContact O-N 3.36Å; L793-F795 HydrophobicContact CB-CD2 4.02Å; L793-F795 HydrophobicContact CB-CE2 4.07Å; L793-F795 HydrophobicContact CD1-CE2 4.13Å; L793-I990 HydrophobicContact CB-CG2 4.39Å; L793-P993 HydrophobicContact CD2-CG 4.31Å
794G97.4Very high96.3Very high5 Ų522.5 Ų22.55%0.05211%0.114CC..THydrogen-bonded Turntrans95.920.3179.900000115.1R756 A790 K791 L792R756-G794 PolarHBondContact NH1-O 3.46Å; A790-G794 PolarHBondContact O-N 3.22Å; K791-G794 PolarHBondContact O-N 2.65Å; L792-G794 VanDerWaalsContact C-N 3.26Å; L792-G794 PolarHBondContact O-N 2.75Å
795F98.4Very high95.3Very high4 Ų423.7 Ų23.72%0.01812%0.121CC..  trans-69.7139.5161.7-66.5-87.1000109.6E745 Y746 R756 V758 A790 L793 H979 I990E745-F795 HydrophobicContact CB-CE1 3.98Å; E745-F795 HydrophobicContact CB-CZ 3.75Å; E745-F795 HydrophobicContact CG-CZ 4.39Å; Y746-F795 WeakPolarHBondContact O-CE1 3.32Å; R756-F795 CarbonylContact O-C 3.57Å; R756-F795 WeakPolarHBondContact O-CA 3.17Å; V758-F795 HydrophobicContact CG1-CB 4.09Å; V758-F795 HydrophobicContact CG1-CD1 3.41Å; V758-F795 VanDerWaalsContact CG1-CD1 3.41Å; V758-F795 HydrophobicContact CG1-CD2 4.05Å; V758-F795 HydrophobicContact CG1-CE1 3.77Å; V758-F795 HydrophobicContact CG1-CE2 4.37Å; V758-F795 HydrophobicContact CG1-CG 3.58Å; V758-F795 HydrophobicContact CG1-CZ 4.25Å; A790-F795 HydrophobicContact CB-CB 4.17Å; A790-F795 HydrophobicContact CB-CD2 3.99Å; A790-F795 HydrophobicContact CB-CG 4.34Å; A790-F795 WeakPolarHBondContact O-CB 3.27Å; A790-F795 WeakPolarHBondContact O-CD2 3.01Å; A790-F795 PolarHBondContact O-N 3.29Å; L793-F795 HydrophobicContact CB-CD2 4.02Å; L793-F795 HydrophobicContact CB-CE2 4.07Å; L793-F795 HydrophobicContact CD1-CE2 4.13Å; F795-H979 PolarHBondContact O-CD2 2.82Å; F795-H979 VanDerWaalsContact O-CD2 3.28Å; F795-I990 HydrophobicContact CB-CD1 4.48Å; F795-I990 HydrophobicContact CD1-CD1 3.6Å; F795-I990 HydrophobicContact CD2-CD1 3.89Å; F795-I990 HydrophobicContact CE1-CD1 3.65Å; F795-I990 HydrophobicContact CE2-CD1 3.94Å; F795-I990 HydrophobicContact CE2-CG2 3.93Å; F795-I990 HydrophobicContact CG-CD1 3.73Å; F795-I990 HydrophobicContact CZ-CD1 3.8Å; F795-I990 HydrophobicContact CZ-CG2 4.04Å
796T97.8Very high94.2Very high8 Ų827.5 Ų27.55%0.04915%0.148CC..  trans-98.6-32-171.452.30000112.8R756 L978 V984 L987R756-T796 HydrophobicContact CB-CG2 3.99Å; R756-T796 PolarHBondContact O-N 2.65Å; R756-T796 PolarHBondContact O-OG1 2.83Å; T796-L978 WeakPolarHBondContact O-CB 3.48Å; T796-L978 PolarHBondContact O-N 3.27Å; T796-V984 HydrophobicContact CG2-CB 4.38Å; T796-V984 HydrophobicContact CG2-CG1 3.74Å; T796-V984 HydrophobicContact CG2-CG2 3.94Å; T796-L987 HydrophobicContact CG2-CD1 3.67Å
797M97.3Very high92.8Very high32 Ų3233.7 Ų33.716%0.15818%0.177CC..EExtended strand (participates in β ladder)trans-139.2144.6-175.5-70.1172.5-77.500111.4R757 V758 I976 R977R757-M797 WeakPolarHBondContact CA-O 3.32Å; R757-M797 HydrophobicContact CG-CB 4.41Å; R757-M797 HydrophobicContact CG-CE 4.33Å; R757-M797 PolarHBondContact NH1-SD 2.88Å; V758-M797 PolarHBondContact N-O 2.67Å; M797-I976 CarbonylContact C-O 3.53Å; M797-I976 VanDerWaalsContact CA-O 3.24Å; M797-I976 WeakPolarHBondContact CA-O 3.47Å; M797-R977 HydrophobicContact CG-CG 4.33Å
798A98.3Very high91.4Very high4 Ų435.3 Ų35.33%0.03320%0.195CC..EExtended strand (participates in β ladder)trans-116.4146.1168.800000110.3V758 I976 L978V758-A798 HydrophobicContact CG2-CB 3.52Å; V758-A798 CarbonylContact O-C 3.52Å; V758-A798 WeakPolarHBondContact O-CA 3.48Å; A798-I976 HydrophobicContact CB-CB 4.14Å; A798-I976 HydrophobicContact CB-CD1 4.16Å; A798-I976 PolarHBondContact N-O 2.94Å; A798-I976 WeakPolarHBondContact O-CB 3.42Å; A798-I976 PolarHBondContact O-N 2.86Å; A798-L978 HydrophobicContact CB-CD1 4.47Å; A798-L978 HydrophobicContact CB-CD2 4.43Å
799H98.4Very high90.4Very high20 Ų2035.6 Ų35.69%0.09320%0.199CC..EExtended strand (participates in β ladder)trans-126.4135.1-176.9-68.3-98.4000110.6R757 V758 Y759 V760 F869 F974 V975R757-H799 PolarHBondContact NH1-NE2 3.3Å; V758-H799 PolarHBondContact O-N 2.85Å; Y759-H799 HydrophobicContact CD2-CB 3.89Å; V760-H799 PolarHBondContact N-O 3.19Å; H799-F869 HydrophobicContact CB-CE2 3.7Å; H799-F869 HydrophobicContact CB-CZ 4.14Å; H799-F869 AromaticContact CD2-CZ 3.67Å; H799-F869 AromaticContact CG-CE2 3.6Å; H799-F869 AromaticContact CG-CZ 3.74Å; H799-F869 AromaticContact ND1-CE2 3.9Å; H799-F974 WeakPolarHBondContact CA-O 3.27Å; H799-V975 WeakPolarHBondContact NE2-CG1 3.27Å
800I97.5Very high89.7Confident4 Ų435.9 Ų35.92%0.02120%0.201CC..EExtended strand (participates in β ladder)trans-135.1121.5177.1-56.2179.5000109.3V760 Y832 M835 F974 I976V760-I800 HydrophobicContact CB-CG1 4.27Å; V760-I800 HydrophobicContact CG2-CD1 4.49Å; V760-I800 HydrophobicContact CG2-CG1 4Å; I800-Y832 HydrophobicContact CD1-CD1 3.85Å; I800-Y832 HydrophobicContact CD1-CE1 3.93Å; I800-Y832 HydrophobicContact CG2-CD1 4.04Å; I800-Y832 HydrophobicContact CG2-CD2 4.15Å; I800-Y832 HydrophobicContact CG2-CE1 3.71Å; I800-Y832 HydrophobicContact CG2-CE2 3.81Å; I800-Y832 HydrophobicContact CG2-CG 4.27Å; I800-M835 HydrophobicContact CD1-CE 3.99Å; I800-F974 HydrophobicContact CB-CB 4.32Å; I800-F974 PolarHBondContact N-O 3.4Å; I800-F974 VanDerWaalsContact N-O 3.12Å; I800-F974 PolarHBondContact O-N 3.48Å; I800-I976 HydrophobicContact CD1-CD1 3.73Å; I800-I976 HydrophobicContact CG1-CD1 3.84Å
801W94.1Very high89.2Confident73 Ų7337.5 Ų37.528%0.27721%0.208SC..EExtended strand (participates in β ladder)trans-89.9112.1163.5179.426000108.9Y759 C803 F873 N972 F973Y759-W801 HydrophobicContact CE2-CB 4.34Å; W801-C803 HydrophobicContact CD2-CB 3.94Å; W801-C803 HydrophobicContact CG-CB 4.23Å; W801-C803 HydrophobicContact CZ2-CB 3.99Å; W801-C803 PolarHBondContact O-N 3.36Å; W801-F873 HydrophobicContact CD2-CB 4.34Å; W801-F873 HydrophobicContact CE3-CB 4.48Å; W801-F873 HydrophobicContact CH2-CB 4.12Å; W801-F873 HydrophobicContact CZ2-CB 3.94Å; W801-F873 HydrophobicContact CZ2-CD2 4.17Å; W801-F873 HydrophobicContact CZ2-CG 4.45Å; W801-F873 HydrophobicContact CZ3-CB 4.37Å; W801-N972 CarbonylContact C-O 3.57Å; W801-N972 WeakPolarHBondContact CA-O 3.49Å; W801-F973 HydrophobicContact CB-CD1 4.14Å; W801-F973 HydrophobicContact CB-CE1 3.98Å; W801-F973 AromaticContact CD1-CD1 3.82Å; W801-F973 AromaticContact CD1-CE1 3.23Å; W801-F973 AromaticContact CD1-CZ 3.53Å; W801-F973 HydrophobicContact CD2-CE1 4.09Å; W801-F973 HydrophobicContact CG-CD1 4.1Å; W801-F973 AromaticContact CG-CE1 3.52Å; W801-F973 HydrophobicContact CG-CE1 3.52Å; W801-F973 HydrophobicContact CG-CZ 4.19Å; W801-F973 AromaticContact NE1-CE1 3.68Å; W801-F973 AromaticContact NE1-CZ 3.53Å
802A92.1Very high89Confident0 Ų035.7 Ų35.70%020%0.2CC..  trans-81.950.4-177.300000112.7L828 Q829 Y832 N972 F974A802-L828 HydrophobicContact CB-CG 4.42Å; A802-Q829 HydrophobicContact CB-CG 4.32Å; A802-Y832 HydrophobicContact CB-CD2 3.71Å; A802-Y832 HydrophobicContact CB-CE2 3.93Å; A802-N972 PolarHBondContact N-O 3.13Å; A802-F974 HydrophobicContact CB-CD2 4.27Å; A802-F974 HydrophobicContact CB-CE2 3.82Å
803C85.5Confident88.9Confident43 Ų4330.5 Ų30.529%0.29117%0.173SC..PPolyproline II helixtrans-83127173.2-155.90000110.3W801 Y811W801-C803 HydrophobicContact CD2-CB 3.94Å; W801-C803 HydrophobicContact CG-CB 4.23Å; W801-C803 HydrophobicContact CZ2-CB 3.99Å; W801-C803 PolarHBondContact O-N 3.36Å; C803-Y811 PolarHBondContact O-OH 3.02Å
804P82.9Confident88.6Confident22 Ų2229.8 Ų29.814%0.14317%0.168CC..PPolyproline II helixtrans-79.5154.9161.733-31.7000110.4Y811 I822 P823 P825 L828P804-Y811 VanDerWaalsContact C-OH 3.3Å; P804-Y811 PolarHBondContact O-OH 3.38Å; P804-I822 HydrophobicContact CB-CG2 4.05Å; P804-P823 WeakPolarHBondContact CB-O 3.33Å; P804-P825 HydrophobicContact CG-CG 3.91Å; P804-L828 HydrophobicContact CB-CD2 4.11Å
805P78.4Confident88.1Confident25 Ų2530.8 Ų30.816%0.16217%0.172CC..PPolyproline II helixtrans-62.7156.1174.427.2-33.9000111.4Y811 I822P805-Y811 HydrophobicContact CB-CD1 4.07Å; P805-Y811 HydrophobicContact CB-CD2 4.26Å; P805-Y811 HydrophobicContact CB-CE1 3.91Å; P805-Y811 HydrophobicContact CB-CE2 4.12Å; P805-Y811 HydrophobicContact CB-CG 4.25Å; P805-Y811 HydrophobicContact CG-CD2 4.33Å; P805-Y811 HydrophobicContact CG-CE2 4.27Å; P805-I822 HydrophobicContact CG-CD1 4.35Å; P805-I822 HydrophobicContact CG-CG2 4Å
806S75.4Confident87.8Confident80 Ų8032.1 Ų32.156%0.55918%0.178SC*.PPolyproline II helixtrans-66156.1173.6-700000111G808 D809S806-G808 PolarHBondContact O-N 2.75Å; S806-D809 PolarHBondContact O-N 3.39Å
807E69.2Low87.6Confident131 Ų13131.9 Ų31.961%0.61218%0.177SC*.THydrogen-bonded Turntrans-63.6112177.4-63.5-172.8165.600109.6Y544 K824Y544-E807 WeakPolarHBondContact CE1-O 3.14Å; Y544-E807 PolarHBondContact OH-O 3.34Å; E807-K824 IonicContact OE1-NZ 2.81Å; E807-K824 PolarHBondContact OE1-NZ 3.15Å
808G68.5Low87.1Confident40 Ų4035.8 Ų35.841%0.41221%0.205SC..THydrogen-bonded Turntrans92.68.1-175.400000116.2T532 S806T532-G808 PolarHBondContact OG1-O 3.3Å; S806-G808 PolarHBondContact O-N 2.75Å
809D77.8Confident86.8Confident59 Ų5940 Ų4032%0.31623%0.227SC..  trans-104.3143166.1-177.131.2000110.1S806 R1005S806-D809 PolarHBondContact O-N 3.39Å; D809-R1005 IonicContact OD1-NH1 3.21Å; D809-R1005 IonicContact OD1-NH2 3.76Å; D809-R1005 PolarHBondContact OD1-NH2 2.75Å; D809-R1005 IonicContact OD2-NH2 3.9Å; D809-R1005 PolarHBondContact OD2-NH2 3.27Å
810D83.6Confident86.6Confident24 Ų2441 Ų4113%0.12823%0.231CC..  trans-112.4135175.8-63-58.3000107.8F813 H814 M815 H816 R1005 L1009D810-F813 WeakPolarHBondContact CB-O 3.5Å; D810-H814 WeakPolarHBondContact OD2-CA 3.2Å; D810-H814 IonicContact OD2-ND1 3.26Å; D810-H814 PolarHBondContact OD2-ND1 2.98Å; D810-M815 VanDerWaalsContact CG-N 3.31Å; D810-M815 PolarHBondContact OD1-N 3.27Å; D810-M815 PolarHBondContact OD2-N 3.5Å; D810-H816 IonicContact OD1-CE1 3.97Å; D810-H816 IonicContact OD1-CG 2.67Å; D810-H816 PolarHBondContact OD1-N 2.92Å; D810-H816 IonicContact OD1-ND1 2.64Å; D810-H816 PolarHBondContact OD1-ND1 3.18Å; D810-R1005 PolarHBondContact O-NH1 2.85Å; D810-L1009 HydrophobicContact CB-CD2 4.2Å
811Y88.6Confident86.3Confident34 Ų3449.4 Ų49.413%0.13327%0.268CS..SBendtrans-76.9-46-179.8-82.3-26.8000113Y762 D764 C803 P804 P805 R1005Y762-Y811 AromaticContact CD1-CD1 3.72Å; Y762-Y811 HydrophobicContact CD1-CD1 3.72Å; Y762-Y811 HydrophobicContact CD1-CE1 4.15Å; Y762-Y811 AromaticContact CD1-CG 3.97Å; Y762-Y811 HydrophobicContact CD1-CG 3.97Å; Y762-Y811 AromaticContact CE1-CD1 3.98Å; Y762-Y811 HydrophobicContact CE1-CD1 3.98Å; Y762-Y811 HydrophobicContact CE1-CE1 4.15Å; D764-Y811 PolarHBondContact OD2-N 3.19Å; C803-Y811 PolarHBondContact O-OH 3.02Å; P804-Y811 VanDerWaalsContact C-OH 3.3Å; P804-Y811 PolarHBondContact O-OH 3.38Å; P805-Y811 HydrophobicContact CB-CD1 4.07Å; P805-Y811 HydrophobicContact CB-CD2 4.26Å; P805-Y811 HydrophobicContact CB-CE1 3.91Å; P805-Y811 HydrophobicContact CB-CE2 4.12Å; P805-Y811 HydrophobicContact CB-CG 4.25Å; P805-Y811 HydrophobicContact CG-CD2 4.33Å; P805-Y811 HydrophobicContact CG-CE2 4.27Å; Y811-R1005 WeakPolarHBondContact O-CB 3.18Å; Y811-R1005 WeakPolarHBondContact O-CD 3.32Å; Y811-R1005 PolarHBondContact O-NH1 2.92Å
812I92.7Very high86Confident1 Ų149.4 Ų49.41%0.00527%0.272CS..SBendtrans-137.4-43.6-178.8-52.4172.7000110.7F726 D764 H814 F1008 L1009F726-I812 HydrophobicContact CE1-CG2 3.71Å; F726-I812 HydrophobicContact CZ-CG2 3.72Å; D764-I812 HydrophobicContact CB-CB 3.79Å; D764-I812 HydrophobicContact CB-CD1 3.86Å; D764-I812 HydrophobicContact CB-CG1 3.8Å; D764-I812 PolarHBondContact OD2-N 3.49Å; I812-H814 PolarHBondContact O-N 2.91Å; I812-F1008 HydrophobicContact CG2-CD1 4.17Å; I812-F1008 VanDerWaalsContact O-CD1 3.25Å; I812-F1008 WeakPolarHBondContact O-CD1 3.09Å; I812-F1008 WeakPolarHBondContact O-CE1 3.38Å; I812-L1009 VanDerWaalsContact O-CD2 3.32Å; I812-L1009 WeakPolarHBondContact O-CD2 3.28Å
813F94.6Very high85.8Confident0 Ų051.4 Ų51.40%029%0.285CS..SBendtrans-91.6107.2-176-64.7-69000111.6F726 C737 D764 V766 D810 M815 H816 F1019F726-F813 HydrophobicContact CD1-CZ 4.16Å; F726-F813 HydrophobicContact CE1-CE1 4.35Å; F726-F813 HydrophobicContact CE1-CZ 4.15Å; C737-F813 HydrophobicContact CB-CE1 4.28Å; D764-F813 HydrophobicContact CB-CD2 3.95Å; D764-F813 HydrophobicContact CB-CE2 4.28Å; D764-F813 PolarHBondContact OD2-N 3.43Å; V766-F813 HydrophobicContact CG1-CB 3.78Å; V766-F813 HydrophobicContact CG1-CD2 4.19Å; V766-F813 HydrophobicContact CG1-CG 3.96Å; D810-F813 WeakPolarHBondContact CB-O 3.5Å; F813-M815 PolarHBondContact O-N 3.09Å; F813-H816 PolarHBondContact O-CE1 2.95Å; F813-H816 PolarHBondContact O-ND1 3.46Å; F813-F1019 HydrophobicContact CB-CB 4.19Å; F813-F1019 HydrophobicContact CB-CD2 4.08Å; F813-F1019 HydrophobicContact CB-CG 4.05Å; F813-F1019 AromaticContact CD1-CD1 3.78Å; F813-F1019 HydrophobicContact CD1-CD1 3.78Å; F813-F1019 HydrophobicContact CD1-CD2 4.03Å; F813-F1019 AromaticContact CD1-CE1 3.72Å; F813-F1019 HydrophobicContact CD1-CE1 3.72Å; F813-F1019 AromaticContact CD1-CE2 3.98Å; F813-F1019 HydrophobicContact CD1-CE2 3.98Å; F813-F1019 AromaticContact CD1-CG 3.95Å; F813-F1019 HydrophobicContact CD1-CG 3.95Å; F813-F1019 AromaticContact CD1-CZ 3.82Å; F813-F1019 HydrophobicContact CD1-CZ 3.82Å; F813-F1019 HydrophobicContact CE1-CD1 4.42Å; F813-F1019 HydrophobicContact CE1-CE1 4.06Å; F813-F1019 HydrophobicContact CE1-CZ 4.28Å; F813-F1019 HydrophobicContact CG-CD1 4.49Å; F813-F1019 HydrophobicContact CG-CG 4.38Å
814H91.5Very high86Confident16 Ų1655.5 Ų55.57%0.07430%0.298CS..SBendtrans-61.4132.9-178.9-177.238000112.7D810 I812 L1009 A1012 R1013 E1018 F1019D810-H814 WeakPolarHBondContact OD2-CA 3.2Å; D810-H814 IonicContact OD2-ND1 3.26Å; D810-H814 PolarHBondContact OD2-ND1 2.98Å; I812-H814 PolarHBondContact O-N 2.91Å; H814-L1009 HydrophobicContact CB-CD2 3.87Å; H814-A1012 HydrophobicContact CB-CB 3.75Å; H814-R1013 WeakPolarHBondContact NE2-CG 3.35Å; H814-E1018 CarbonylContact O-C 3.5Å; H814-E1018 WeakPolarHBondContact O-CA 3.5Å; H814-F1019 PolarHBondContact O-N 2.76Å
815M88.3Confident86.2Confident26 Ų2657.1 Ų57.113%0.12831%0.309CS..SBendtrans57.479.9176-165.865.460.400112.3Q529 D810 F813 E1018 F1019 S1020Q529-M815 HydrophobicContact CB-CE 3.91Å; Q529-M815 HydrophobicContact CB-CG 4.22Å; Q529-M815 HydrophobicContact CB-SD 3.91Å; Q529-M815 HydrophobicContact CG-CG 4.4Å; Q529-M815 HydrophobicContact CG-SD 4.36Å; D810-M815 VanDerWaalsContact CG-N 3.31Å; D810-M815 PolarHBondContact OD1-N 3.27Å; D810-M815 PolarHBondContact OD2-N 3.5Å; F813-M815 PolarHBondContact O-N 3.09Å; M815-E1018 HydrophobicContact CB-CB 3.91Å; M815-E1018 HydrophobicContact CB-CG 3.77Å; M815-E1018 HydrophobicContact CG-CB 4.29Å; M815-E1018 HydrophobicContact CG-CG 3.93Å; M815-F1019 CarbonylContact O-C 3.46Å; M815-F1019 VanDerWaalsContact O-C 3.27Å; M815-F1019 PolarHBondContact O-N 3Å; M815-S1020 WeakPolarHBondContact O-CA 3.47Å; M815-S1020 WeakPolarHBondContact O-CB 3.22Å; M815-S1020 PolarHBondContact O-N 2.7Å
816H91.9Very high86.9Confident32 Ų3262.5 Ų62.515%0.14833%0.33CS..  trans-58.8159175.9-83.790.7000114.9D764 S765 D810 F813 Q820D764-H816 IonicContact OD1-CE1 3.93Å; D764-H816 PolarHBondContact OD1-CE1 3.16Å; D764-H816 VanDerWaalsContact OD1-CE1 3.31Å; D764-H816 IonicContact OD1-NE2 2.6Å; D764-H816 PolarHBondContact OD1-NE2 3.3Å; D764-H816 IonicContact OD2-CE1 2.65Å; D764-H816 PolarHBondContact OD2-CE1 2.89Å; D764-H816 VanDerWaalsContact OD2-CE1 3.27Å; D764-H816 IonicContact OD2-NE2 2.66Å; S765-H816 PolarHBondContact O-NE2 2.84Å; D810-H816 IonicContact OD1-CE1 3.97Å; D810-H816 IonicContact OD1-CG 2.67Å; D810-H816 PolarHBondContact OD1-N 2.92Å; D810-H816 IonicContact OD1-ND1 2.64Å; D810-H816 PolarHBondContact OD1-ND1 3.18Å; F813-H816 PolarHBondContact O-CE1 2.95Å; F813-H816 PolarHBondContact O-ND1 3.46Å; H816-Q820 PolarHBondContact CD2-NE2 3.31Å
817P92.6Very high87.8Confident4 Ų466.7 Ų66.73%0.02633%0.333CS..  trans-60.8134.8173.8-22.133.7000111.7Y767 F768 D819 Q820 F1019 S1020Y767-P817 HydrophobicContact CD1-CB 4.21Å; Y767-P817 HydrophobicContact CD1-CG 3.77Å; Y767-P817 HydrophobicContact CE1-CB 3.65Å; Y767-P817 HydrophobicContact CE1-CG 3.6Å; F768-P817 HydrophobicContact CE1-CG 4.47Å; F768-P817 HydrophobicContact CE2-CG 3.95Å; F768-P817 HydrophobicContact CZ-CB 4.45Å; F768-P817 HydrophobicContact CZ-CG 3.6Å; P817-D819 PolarHBondContact O-N 2.98Å; P817-D819 VanDerWaalsContact O-N 3.14Å; P817-Q820 HydrophobicContact CB-CB 4.01Å; P817-Q820 HydrophobicContact CG-CB 4.28Å; P817-Q820 VanDerWaalsContact O-CB 3.27Å; P817-Q820 WeakPolarHBondContact O-CB 3.26Å; P817-Q820 PolarHBondContact O-N 3.12Å; P817-F1019 WeakPolarHBondContact CD-O 3.24Å; P817-F1019 WeakPolarHBondContact CG-O 3.48Å; P817-S1020 WeakPolarHBondContact CA-O 3.23Å; P817-S1020 WeakPolarHBondContact CB-O 3.15Å
818P87.4Confident89Confident114 Ų11461.4 Ų61.474%0.7431%0.309SS*.THydrogen-bonded Turntrans-67.5-18.1-172.526.8-35.3000114
819D91.9Very high90.2Very high93 Ų9360.1 Ų60.150%0.49729%0.292SS..THydrogen-bonded Turntrans-91.1-8171.966.5-43.7000113.6Y767 P817 K821Y767-D819 WeakPolarHBondContact CE2-OD2 3.4Å; Y767-D819 VanDerWaalsContact CZ-OD2 3.23Å; Y767-D819 PolarHBondContact OH-OD1 2.96Å; Y767-D819 PolarHBondContact OH-OD2 3.49Å; P817-D819 PolarHBondContact O-N 2.98Å; P817-D819 VanDerWaalsContact O-N 3.14Å; D819-K821 PolarHBondContact O-N 2.98Å
820Q93.3Very high91.1Very high40 Ų4062 Ų6219%0.18730%0.299CS..  trans-75.789.7175.8-175.6173.2-54.800110.9S765 Y767 H816 P817 I822S765-Q820 PolarHBondContact O-NE2 3.27Å; Y767-Q820 VanDerWaalsContact CB-OE1 3.29Å; H816-Q820 PolarHBondContact CD2-NE2 3.31Å; P817-Q820 HydrophobicContact CB-CB 4.01Å; P817-Q820 HydrophobicContact CG-CB 4.28Å; P817-Q820 VanDerWaalsContact O-CB 3.27Å; P817-Q820 WeakPolarHBondContact O-CB 3.26Å; P817-Q820 PolarHBondContact O-N 3.12Å; Q820-I822 PolarHBondContact O-N 2.67Å; Q820-I822 VanDerWaalsContact O-N 3.14Å
821K91.1Very high91.8Very high180 Ų18063.2 Ų63.278%0.78330%0.302SS*.  trans-63.6111.8178-59.3-175.1-178.2-1750112.1D819D819-K821 PolarHBondContact O-N 2.98Å
822I87.7Confident92.3Very high73 Ų7362.1 Ų62.137%0.37430%0.298SS..PPolyproline II helixtrans-55.8130.1168.1-59.1170.1000109.1P804 P805 Q820 K824P804-I822 HydrophobicContact CB-CG2 4.05Å; P805-I822 HydrophobicContact CG-CD1 4.35Å; P805-I822 HydrophobicContact CG-CG2 4Å; Q820-I822 PolarHBondContact O-N 2.67Å; Q820-I822 VanDerWaalsContact O-N 3.14Å; I822-K824 PolarHBondContact O-N 2.66Å
823P89.1Confident92.5Very high42 Ų4265 Ų6527%0.27331%0.311SS..PPolyproline II helixtrans-70.8128.9178.428.9-33.8000110.9P804 R827 L828P804-P823 WeakPolarHBondContact CB-O 3.33Å; P823-R827 HydrophobicContact CB-CB 4.36Å; P823-R827 HydrophobicContact CB-CG 4.42Å; P823-L828 HydrophobicContact CB-CB 4.33Å; P823-L828 HydrophobicContact CG-CB 4.29Å; P823-L828 HydrophobicContact CG-CD1 4.31Å
824K88.3Confident92.7Very high129 Ų12971.3 Ų71.356%0.56134%0.339SS*.PPolyproline II helixtrans-67.9151.1168.7-61.2-61.8-177.2179.50110.1E807 I822 K826 R827 L828E807-K824 IonicContact OE1-NZ 2.81Å; E807-K824 PolarHBondContact OE1-NZ 3.15Å; I822-K824 PolarHBondContact O-N 2.66Å; K824-K826 PolarHBondContact O-N 2.89Å; K824-K826 VanDerWaalsContact O-N 3.13Å; K824-R827 WeakPolarHBondContact O-CB 3.36Å; K824-R827 PolarHBondContact O-N 2.95Å; K824-L828 PolarHBondContact O-N 2.91Å
825P87.8Confident93Very high57 Ų5770.6 Ų70.637%0.3734%0.335SS..Hα-helixtrans-46.5-52.3-162.5-32.635.3000115.4P804 R827 L828 Q829P804-P825 HydrophobicContact CG-CG 3.91Å; P825-R827 VanDerWaalsContact C-N 3.26Å; P825-R827 PolarHBondContact O-N 3.25Å; P825-R827 VanDerWaalsContact O-N 3.15Å; P825-L828 WeakPolarHBondContact O-CA 3.13Å; P825-L828 WeakPolarHBondContact O-CB 3.4Å; P825-L828 PolarHBondContact O-N 3.41Å; P825-Q829 WeakPolarHBondContact O-CG 3.48Å; P825-Q829 PolarHBondContact O-N 2.72Å
826K93Very high93.5Very high138 Ų13869.3 Ų69.360%0.633%0.329SS*.Hα-helixtrans-52.6-39.9178.8179.7163-179.2160.50114.3K824 L828 Q829 E830K824-K826 PolarHBondContact O-N 2.89Å; K824-K826 VanDerWaalsContact O-N 3.13Å; K826-L828 VanDerWaalsContact C-N 3.32Å; K826-L828 PolarHBondContact O-N 3.46Å; K826-Q829 PolarHBondContact O-N 2.72Å; K826-E830 WeakPolarHBondContact CE-OE1 3.31Å; K826-E830 HydrophobicContact CG-CG 4.47Å; K826-E830 WeakPolarHBondContact CG-OE1 3.44Å; K826-E830 WeakPolarHBondContact O-CB 3.44Å; K826-E830 VanDerWaalsContact O-CG 3.27Å; K826-E830 WeakPolarHBondContact O-CG 3.41Å; K826-E830 PolarHBondContact O-N 2.94Å
827R94.5Very high93.8Very high168 Ų16872.8 Ų72.863%0.63434%0.344SS*.Hα-helixtrans-69.2-31.6177.7-173177.9180-174.10.9112.2P823 K824 P825 W831P823-R827 HydrophobicContact CB-CB 4.36Å; P823-R827 HydrophobicContact CB-CG 4.42Å; K824-R827 WeakPolarHBondContact O-CB 3.36Å; K824-R827 PolarHBondContact O-N 2.95Å; P825-R827 VanDerWaalsContact C-N 3.26Å; P825-R827 PolarHBondContact O-N 3.25Å; P825-R827 VanDerWaalsContact O-N 3.15Å; R827-W831 VanDerWaalsContact O-CB 3.29Å; R827-W831 WeakPolarHBondContact O-CB 3.48Å; R827-W831 PolarHBondContact O-N 3.23Å; R827-W831 VanDerWaalsContact O-N 3.09Å
828L93.8Very high94.1Very high20 Ų2074.8 Ų74.811%0.10535%0.352CS..Hα-helixtrans-74.5-40.1175.6-176.258.3000111.1A802 P804 P823 K824 P825 K826 W831 Y832A802-L828 HydrophobicContact CB-CG 4.42Å; P804-L828 HydrophobicContact CB-CD2 4.11Å; P823-L828 HydrophobicContact CB-CB 4.33Å; P823-L828 HydrophobicContact CG-CB 4.29Å; P823-L828 HydrophobicContact CG-CD1 4.31Å; K824-L828 PolarHBondContact O-N 2.91Å; P825-L828 WeakPolarHBondContact O-CA 3.13Å; P825-L828 WeakPolarHBondContact O-CB 3.4Å; P825-L828 PolarHBondContact O-N 3.41Å; K826-L828 VanDerWaalsContact C-N 3.32Å; K826-L828 PolarHBondContact O-N 3.46Å; L828-W831 WeakPolarHBondContact O-CB 3.48Å; L828-W831 PolarHBondContact O-N 3.5Å; L828-Y832 HydrophobicContact CD1-CD2 4.02Å; L828-Y832 HydrophobicContact CD1-CE2 3.6Å; L828-Y832 HydrophobicContact CD2-CE2 4.28Å; L828-Y832 HydrophobicContact CG-CD2 3.99Å; L828-Y832 HydrophobicContact CG-CE2 3.71Å; L828-Y832 VanDerWaalsContact O-CD2 3.27Å; L828-Y832 WeakPolarHBondContact O-CD2 3.47Å; L828-Y832 PolarHBondContact O-N 3.1Å
829Q94.5Very high94.6Very high12 Ų1269.4 Ų69.46%0.05632%0.317CS..Hα-helixtrans-58.6-50.8171-59.8166.1-11.100111.2A802 P825 K826 W831 Y832 Q833 E971 N972 F974A802-Q829 HydrophobicContact CB-CG 4.32Å; P825-Q829 WeakPolarHBondContact O-CG 3.48Å; P825-Q829 PolarHBondContact O-N 2.72Å; K826-Q829 PolarHBondContact O-N 2.72Å; Q829-W831 PolarHBondContact O-N 3.1Å; Q829-Y832 PolarHBondContact O-N 3.14Å; Q829-Q833 WeakPolarHBondContact O-CG 3.47Å; Q829-Q833 PolarHBondContact O-N 3.23Å; Q829-E971 VanDerWaalsContact CG-O 3.3Å; Q829-E971 WeakPolarHBondContact CG-O 3.2Å; Q829-N972 PolarHBondContact NE2-OD1 3.01Å; Q829-F974 HydrophobicContact CB-CZ 4.27Å
830E97.4Very high94.9Very high98 Ų9868.5 Ų68.546%0.45831%0.312SS..Hα-helixtrans-58.3-36.2175.9-74.1167.2-17700112.3K826 K834K826-E830 WeakPolarHBondContact CE-OE1 3.31Å; K826-E830 HydrophobicContact CG-CG 4.47Å; K826-E830 WeakPolarHBondContact CG-OE1 3.44Å; K826-E830 WeakPolarHBondContact O-CB 3.44Å; K826-E830 VanDerWaalsContact O-CG 3.27Å; K826-E830 WeakPolarHBondContact O-CG 3.41Å; K826-E830 PolarHBondContact O-N 2.94Å; E830-K834 WeakPolarHBondContact O-CB 3.33Å; E830-K834 PolarHBondContact O-N 2.85Å
831W97.5Very high95.1Very high51 Ų5173.3 Ų73.319%0.19334%0.337CS..Hα-helixtrans-67.5-45.6176.4-174.699000112.3Y779 H780 L783 R827 L828 Q829 K834 M835Y779-W831 HydrophobicContact CD2-CZ2 4.2Å; Y779-W831 HydrophobicContact CG-CZ2 4.44Å; H780-W831 AromaticContact CD2-CE2 3.69Å; H780-W831 AromaticContact CD2-CH2 3.75Å; H780-W831 AromaticContact CD2-CZ2 3.46Å; H780-W831 VanDerWaalsContact CD2-CZ2 3.46Å; H780-W831 WeakPolarHBondContact CD2-CZ2 3.39Å; H780-W831 PolarHBondContact CE1-O 3.3Å; H780-W831 VanDerWaalsContact CE1-O 3.24Å; H780-W831 AromaticContact NE2-CD1 3.12Å; H780-W831 AromaticContact NE2-CD2 2.47Å; H780-W831 AromaticContact NE2-CE2 2.44Å; H780-W831 AromaticContact NE2-CE3 3.06Å; H780-W831 AromaticContact NE2-CG 2.95Å; H780-W831 AromaticContact NE2-CH2 3.51Å; H780-W831 AromaticContact NE2-CZ2 3.02Å; H780-W831 WeakPolarHBondContact NE2-CZ2 3.44Å; H780-W831 AromaticContact NE2-CZ3 3.52Å; H780-W831 AromaticContact NE2-NE1 2.84Å; H780-W831 PolarHBondContact NE2-NE1 2.97Å; H780-W831 PolarHBondContact NE2-O 3.09Å; L783-W831 HydrophobicContact CD1-CH2 3.64Å; L783-W831 HydrophobicContact CD1-CZ3 3.6Å; R827-W831 VanDerWaalsContact O-CB 3.29Å; R827-W831 WeakPolarHBondContact O-CB 3.48Å; R827-W831 PolarHBondContact O-N 3.23Å; R827-W831 VanDerWaalsContact O-N 3.09Å; L828-W831 WeakPolarHBondContact O-CB 3.48Å; L828-W831 PolarHBondContact O-N 3.5Å; Q829-W831 PolarHBondContact O-N 3.1Å; W831-K834 PolarHBondContact O-N 3.44Å; W831-M835 PolarHBondContact O-N 2.99Å; W831-M835 VanDerWaalsContact O-N 3.12Å
832Y98.2Very high95.4Very high11 Ų1168.3 Ų68.34%0.04332%0.317CS..Hα-helixtrans-65.2-42.3173.5-78.6-62.2000111.7L783 I800 A802 L828 Q829 K834 M835 L836L783-Y832 HydrophobicContact CD1-CE1 4.03Å; I800-Y832 HydrophobicContact CD1-CD1 3.85Å; I800-Y832 HydrophobicContact CD1-CE1 3.93Å; I800-Y832 HydrophobicContact CG2-CD1 4.04Å; I800-Y832 HydrophobicContact CG2-CD2 4.15Å; I800-Y832 HydrophobicContact CG2-CE1 3.71Å; I800-Y832 HydrophobicContact CG2-CE2 3.81Å; I800-Y832 HydrophobicContact CG2-CG 4.27Å; A802-Y832 HydrophobicContact CB-CD2 3.71Å; A802-Y832 HydrophobicContact CB-CE2 3.93Å; L828-Y832 HydrophobicContact CD1-CD2 4.02Å; L828-Y832 HydrophobicContact CD1-CE2 3.6Å; L828-Y832 HydrophobicContact CD2-CE2 4.28Å; L828-Y832 HydrophobicContact CG-CD2 3.99Å; L828-Y832 HydrophobicContact CG-CE2 3.71Å; L828-Y832 VanDerWaalsContact O-CD2 3.27Å; L828-Y832 WeakPolarHBondContact O-CD2 3.47Å; L828-Y832 PolarHBondContact O-N 3.1Å; Q829-Y832 PolarHBondContact O-N 3.14Å; Y832-K834 VanDerWaalsContact C-N 3.28Å; Y832-K834 PolarHBondContact O-N 3.34Å; Y832-M835 HydrophobicContact CD1-CE 4.18Å; Y832-M835 WeakPolarHBondContact O-CB 3.38Å; Y832-M835 PolarHBondContact O-N 2.71Å; Y832-M835 VanDerWaalsContact O-N 3.12Å; Y832-L836 WeakPolarHBondContact O-CG 3.23Å; Y832-L836 PolarHBondContact O-N 2.84Å
833Q98Very high95.9Very high62 Ų6274.9 Ų74.929%0.2934%0.337SS..Hα-helixtrans-58.4-38.6173.5-72.7-176.920.300112.3Q829 L836 K837 Y848 F974Q829-Q833 WeakPolarHBondContact O-CG 3.47Å; Q829-Q833 PolarHBondContact O-N 3.23Å; Q833-L836 PolarHBondContact O-N 3.44Å; Q833-K837 VanDerWaalsContact O-CB 3.32Å; Q833-K837 WeakPolarHBondContact O-CB 3.44Å; Q833-K837 WeakPolarHBondContact O-CD 3.43Å; Q833-K837 WeakPolarHBondContact O-CG 3.27Å; Q833-K837 PolarHBondContact O-N 3.12Å; Q833-Y848 HydrophobicContact CG-CE2 4.35Å; Q833-F974 HydrophobicContact CG-CE1 3.72Å; Q833-F974 HydrophobicContact CG-CZ 3.98Å
834K98.3Very high96.3Very high132 Ų13273.2 Ų73.257%0.57433%0.325SS*.Hα-helixtrans-64.8-41.4175.5-177.4176.8176.4-179.70111.8H780 E830 W831 Y832 K838H780-K834 WeakPolarHBondContact CE1-CB 3.46Å; H780-K834 WeakPolarHBondContact CE1-CD 3.28Å; H780-K834 WeakPolarHBondContact CE1-CG 3.5Å; E830-K834 WeakPolarHBondContact O-CB 3.33Å; E830-K834 PolarHBondContact O-N 2.85Å; W831-K834 PolarHBondContact O-N 3.44Å; Y832-K834 VanDerWaalsContact C-N 3.28Å; Y832-K834 PolarHBondContact O-N 3.34Å; K834-K838 PolarHBondContact O-N 3.46Å
835M98.3Very high96.8Very high0 Ų067.2 Ų67.20%030%0.3CS..Hα-helixtrans-62.2-46.8174.5-175.1-79.6-70.400111.4H780 L783 V784 I787 I800 W831 Y832 K838 A839H780-M835 HydrophobicContact CB-CB 4.44Å; H780-M835 HydrophobicContact CB-CG 4.09Å; H780-M835 PolarHBondContact CE1-N 3.24Å; L783-M835 HydrophobicContact CB-CE 4.1Å; L783-M835 HydrophobicContact CB-CG 4.05Å; L783-M835 HydrophobicContact CB-SD 3.97Å; L783-M835 HydrophobicContact CD1-CE 4.15Å; L783-M835 HydrophobicContact CD1-CG 4.32Å; V784-M835 HydrophobicContact CG2-CG 3.91Å; V784-M835 HydrophobicContact CG2-SD 3.59Å; V784-M835 VanDerWaalsContact CG2-SD 3.59Å; I787-M835 HydrophobicContact CD1-CE 3.95Å; I787-M835 HydrophobicContact CD1-SD 4.16Å; I800-M835 HydrophobicContact CD1-CE 3.99Å; W831-M835 PolarHBondContact O-N 2.99Å; W831-M835 VanDerWaalsContact O-N 3.12Å; Y832-M835 HydrophobicContact CD1-CE 4.18Å; Y832-M835 WeakPolarHBondContact O-CB 3.38Å; Y832-M835 PolarHBondContact O-N 2.71Å; Y832-M835 VanDerWaalsContact O-N 3.12Å; M835-K838 WeakPolarHBondContact O-CB 3.32Å; M835-K838 PolarHBondContact O-N 3.26Å; M835-A839 PolarHBondContact O-N 2.91Å
836L98.5Very high97.2Very high0 Ų067.4 Ų67.40%030%0.3CS..Hα-helixtrans-69.9-36.6-178.9-65.3170.9000112.9I787 Y832 Q833 K838 A839 L840 V845 Y848 F974 I976I787-L836 HydrophobicContact CD1-CD2 4.4Å; Y832-L836 WeakPolarHBondContact O-CG 3.23Å; Y832-L836 PolarHBondContact O-N 2.84Å; Q833-L836 PolarHBondContact O-N 3.44Å; L836-K838 VanDerWaalsContact C-N 3.29Å; L836-K838 PolarHBondContact O-N 2.73Å; L836-A839 WeakPolarHBondContact O-CB 3.25Å; L836-A839 PolarHBondContact O-N 2.98Å; L836-L840 WeakPolarHBondContact O-CB 3.22Å; L836-L840 PolarHBondContact O-N 2.76Å; L836-V845 HydrophobicContact CD2-CG2 4.43Å; L836-Y848 HydrophobicContact CB-CD1 3.55Å; L836-Y848 HydrophobicContact CB-CD2 4.37Å; L836-Y848 HydrophobicContact CB-CE1 3.68Å; L836-Y848 HydrophobicContact CB-CG 3.93Å; L836-Y848 HydrophobicContact CD1-CD1 4.31Å; L836-Y848 HydrophobicContact CD1-CD2 3.78Å; L836-Y848 HydrophobicContact CD1-CE2 4.34Å; L836-Y848 HydrophobicContact CD1-CG 3.78Å; L836-Y848 HydrophobicContact CG-CD1 4.46Å; L836-Y848 HydrophobicContact CG-CG 4.39Å; L836-F974 HydrophobicContact CD1-CB 4.35Å; L836-F974 HydrophobicContact CD1-CD1 3.81Å; L836-F974 HydrophobicContact CD1-CE1 4.42Å; L836-F974 HydrophobicContact CD1-CG 4.18Å; L836-I976 HydrophobicContact CD1-CD1 4.14Å; L836-I976 HydrophobicContact CD1-CG1 4.02Å; L836-I976 HydrophobicContact CD2-CD1 3.65Å; L836-I976 HydrophobicContact CD2-CG1 3.82Å; L836-I976 HydrophobicContact CD2-CG2 3.94Å
837K98.4Very high97.4Very high105 Ų10562.7 Ų62.746%0.45728%0.281SS..Hα-helixtrans-59.1-40171.2-75.2164.1-171.5168.40111.5Q833 L840 I841 Y848Q833-K837 VanDerWaalsContact O-CB 3.32Å; Q833-K837 WeakPolarHBondContact O-CB 3.44Å; Q833-K837 WeakPolarHBondContact O-CD 3.43Å; Q833-K837 WeakPolarHBondContact O-CG 3.27Å; Q833-K837 PolarHBondContact O-N 3.12Å; K837-L840 PolarHBondContact O-N 3.5Å; K837-I841 WeakPolarHBondContact O-CD1 3.44Å; K837-I841 VanDerWaalsContact O-CG1 3.3Å; K837-I841 WeakPolarHBondContact O-CG1 3.37Å; K837-I841 PolarHBondContact O-N 2.81Å; K837-Y848 WeakPolarHBondContact CE-OH 3.33Å; K837-Y848 HydrophobicContact CG-CE1 4.37Å
838K98.2Very high97.5Very high46 Ų4657.1 Ų57.120%0.226%0.26CS..Hα-helixtrans-64.3-46.2172.8-179.1-177.9-177.1-66.40111.7H780 E781 K834 M835 L836 L840 I841 E842H780-K838 HydrophobicContact CB-CD 4.5Å; E781-K838 WeakPolarHBondContact OE1-CE 3.47Å; E781-K838 IonicContact OE1-NZ 2.69Å; E781-K838 PolarHBondContact OE1-NZ 3.48Å; E781-K838 IonicContact OE2-NZ 3.04Å; E781-K838 PolarHBondContact OE2-NZ 3.44Å; K834-K838 PolarHBondContact O-N 3.46Å; M835-K838 WeakPolarHBondContact O-CB 3.32Å; M835-K838 PolarHBondContact O-N 3.26Å; L836-K838 VanDerWaalsContact C-N 3.29Å; L836-K838 PolarHBondContact O-N 2.73Å; K838-L840 VanDerWaalsContact C-N 3.27Å; K838-L840 PolarHBondContact O-N 2.75Å; K838-I841 PolarHBondContact O-N 3.34Å; K838-E842 IonicContact NZ-OE1 2.68Å; K838-E842 PolarHBondContact NZ-OE1 2.85Å; K838-E842 PolarHBondContact O-N 3.41Å
839A98.3Very high97.6Very high0 Ų057.4 Ų57.40%026%0.261CS..Hα-helixtrans-60.8-3417700000113.4V784 M835 L836 R843 I844 V845V784-A839 HydrophobicContact CG1-CB 4.16Å; V784-A839 HydrophobicContact CG2-CB 4.02Å; M835-A839 PolarHBondContact O-N 2.91Å; L836-A839 WeakPolarHBondContact O-CB 3.25Å; L836-A839 PolarHBondContact O-N 2.98Å; A839-R843 PolarHBondContact O-N 2.72Å; A839-I844 HydrophobicContact CB-CB 4.48Å; A839-I844 WeakPolarHBondContact O-CB 3.48Å; A839-I844 PolarHBondContact O-N 3.34Å; A839-V845 HydrophobicContact CB-CB 4.01Å; A839-V845 HydrophobicContact CB-CG2 3.57Å; A839-V845 PolarHBondContact O-N 3.3Å; A839-V845 VanDerWaalsContact O-N 3.12Å
840L97.9Very high97.6Very high75 Ų7558.9 Ų58.939%0.39327%0.269SS..Hα-helixtrans-73.7-41.2177.2-171.9152.6000111.8L836 K837 K838 E842 R843L836-L840 WeakPolarHBondContact O-CB 3.22Å; L836-L840 PolarHBondContact O-N 2.76Å; K837-L840 PolarHBondContact O-N 3.5Å; K838-L840 VanDerWaalsContact C-N 3.27Å; K838-L840 PolarHBondContact O-N 2.75Å; L840-E842 VanDerWaalsContact C-N 3.27Å; L840-E842 PolarHBondContact O-N 3.45Å; L840-R843 PolarHBondContact O-N 2.64Å
841I97.9Very high97.4Very high140 Ų14054.6 Ų54.672%0.71825%0.249SC*.Hα-helixtrans-59.8-39.3171.9-69.4163.7000110.9K837 K838 R843K837-I841 WeakPolarHBondContact O-CD1 3.44Å; K837-I841 VanDerWaalsContact O-CG1 3.3Å; K837-I841 WeakPolarHBondContact O-CG1 3.37Å; K837-I841 PolarHBondContact O-N 2.81Å; K838-I841 PolarHBondContact O-N 3.34Å; I841-R843 PolarHBondContact O-N 2.98Å
842E97.7Very high97.1Very high75 Ų7552.4 Ų52.435%0.3524%0.241SC..THydrogen-bonded Turntrans-75.9-0.7173.8-72.7-178.3-130.100114.3R671 K838 L840 I844R671-E842 IonicContact CZ-OE2 3.89Å; R671-E842 IonicContact NH1-OE2 3.6Å; R671-E842 PolarHBondContact NH1-OE2 3.19Å; R671-E842 VanDerWaalsContact NH2-CD 3.3Å; R671-E842 IonicContact NH2-OE1 2.74Å; R671-E842 PolarHBondContact NH2-OE1 2.99Å; R671-E842 VanDerWaalsContact NH2-OE1 3.09Å; R671-E842 IonicContact NH2-OE2 2.94Å; R671-E842 PolarHBondContact NH2-OE2 2.94Å; K838-E842 IonicContact NZ-OE1 2.68Å; K838-E842 PolarHBondContact NZ-OE1 2.85Å; K838-E842 PolarHBondContact O-N 3.41Å; L840-E842 VanDerWaalsContact C-N 3.27Å; L840-E842 PolarHBondContact O-N 3.45Å; E842-I844 HydrophobicContact CB-CD1 3.78Å; E842-I844 HydrophobicContact CB-CG1 4.08Å; E842-I844 PolarHBondContact O-N 2.89Å; E842-I844 VanDerWaalsContact O-N 3.14Å; E842-I844 WeakPolarHBondContact OE2-CD1 3.39Å
843R97.6Very high96.8Very high211 Ų21155.7 Ų55.780%0.79626%0.257SS*.THydrogen-bonded Turntrans5917.9-176.7-50.3-179.3-178.3-175.4-0.7114.5K791 A839 L840 I841K791-R843 PolarHBondContact NZ-O 2.94Å; A839-R843 PolarHBondContact O-N 2.72Å; L840-R843 PolarHBondContact O-N 2.64Å; I841-R843 PolarHBondContact O-N 2.98Å
844I98.1Very high96.5Very high7 Ų753.7 Ų53.74%0.03625%0.248CC..SBendtrans-72.4-50.7172.5-68164.2000108.5V784 I787 H788 K791 A839 E842V784-I844 HydrophobicContact CG1-CD1 3.44Å; V784-I844 VanDerWaalsContact CG1-CD1 3.44Å; I787-I844 HydrophobicContact CG2-CG2 4.06Å; H788-I844 HydrophobicContact CB-CD1 4.01Å; H788-I844 HydrophobicContact CB-CG1 4.15Å; H788-I844 HydrophobicContact CB-CG2 3.77Å; K791-I844 WeakPolarHBondContact CD-O 3.46Å; K791-I844 WeakPolarHBondContact CE-O 3.46Å; K791-I844 PolarHBondContact NZ-O 3.02Å; A839-I844 HydrophobicContact CB-CB 4.48Å; A839-I844 WeakPolarHBondContact O-CB 3.48Å; A839-I844 PolarHBondContact O-N 3.34Å; E842-I844 HydrophobicContact CB-CD1 3.78Å; E842-I844 HydrophobicContact CB-CG1 4.08Å; E842-I844 PolarHBondContact O-N 2.89Å; E842-I844 VanDerWaalsContact O-N 3.14Å; E842-I844 WeakPolarHBondContact OE2-CD1 3.39Å
845V98.3Very high96.1Very high3 Ų347.5 Ų47.52%0.01822%0.222CC..  trans-90142170.6169.90000109.5I787 L836 A839 D847 I976 L978I787-V845 HydrophobicContact CG2-CG2 4.08Å; L836-V845 HydrophobicContact CD2-CG2 4.43Å; A839-V845 HydrophobicContact CB-CB 4.01Å; A839-V845 HydrophobicContact CB-CG2 3.57Å; A839-V845 PolarHBondContact O-N 3.3Å; A839-V845 VanDerWaalsContact O-N 3.12Å; V845-D847 VanDerWaalsContact CG1-O 3.23Å; V845-D847 WeakPolarHBondContact CG1-O 3.38Å; V845-I976 HydrophobicContact CB-CG2 4.3Å; V845-I976 HydrophobicContact CG1-CG2 3.75Å; V845-I976 HydrophobicContact CG2-CG2 3.51Å; V845-L978 HydrophobicContact CG2-CD2 4.3Å
846V96.7Very high95.5Very high61 Ų6151.7 Ų51.737%0.3725%0.245SC..SBendtrans-83.5-59.7173.4177.30000109.2R977 L978 P980V846-R977 WeakPolarHBondContact CB-O 3.3Å; V846-R977 PolarHBondContact N-O 3.38Å; V846-L978 WeakPolarHBondContact CG2-O 3.37Å; V846-P980 HydrophobicContact CG2-CG 4.2Å
847D96.4Very high95Very high40 Ų4055.7 Ų55.721%0.21426%0.263CS..EExtended strand (participates in β ladder)trans-148.1168167.9620.2000110.3V845 K849 R977V845-D847 VanDerWaalsContact CG1-O 3.23Å; V845-D847 WeakPolarHBondContact CG1-O 3.38Å; D847-K849 WeakPolarHBondContact OD2-CE 3.27Å; D847-K849 IonicContact OD2-NZ 3.53Å; D847-K849 PolarHBondContact OD2-NZ 3.37Å; D847-R977 PolarHBondContact O-N 3.29Å; D847-R977 WeakPolarHBondContact OD1-CB 3.43Å; D847-R977 IonicContact OD1-CZ 3.99Å; D847-R977 IonicContact OD1-NE 2.71Å; D847-R977 PolarHBondContact OD1-NE 2.92Å; D847-R977 IonicContact OD1-NH2 3.73Å; D847-R977 PolarHBondContact OD1-NH2 3.37Å; D847-R977 IonicContact OD2-CZ 2.8Å; D847-R977 IonicContact OD2-NE 3.46Å; D847-R977 IonicContact OD2-NH2 3.78Å; D847-R977 PolarHBondContact OD2-NH2 3.41Å
848Y97.3Very high94.2Very high51 Ų5153.9 Ų53.920%0.226%0.264CS..EExtended strand (participates in β ladder)trans-140.3148171.870.1-91.2000108.9Q833 L836 K837 F974 V975Q833-Y848 HydrophobicContact CG-CE2 4.35Å; L836-Y848 HydrophobicContact CB-CD1 3.55Å; L836-Y848 HydrophobicContact CB-CD2 4.37Å; L836-Y848 HydrophobicContact CB-CE1 3.68Å; L836-Y848 HydrophobicContact CB-CG 3.93Å; L836-Y848 HydrophobicContact CD1-CD1 4.31Å; L836-Y848 HydrophobicContact CD1-CD2 3.78Å; L836-Y848 HydrophobicContact CD1-CE2 4.34Å; L836-Y848 HydrophobicContact CD1-CG 3.78Å; L836-Y848 HydrophobicContact CG-CD1 4.46Å; L836-Y848 HydrophobicContact CG-CG 4.39Å; K837-Y848 WeakPolarHBondContact CE-OH 3.33Å; K837-Y848 HydrophobicContact CG-CE1 4.37Å; Y848-F974 HydrophobicContact CD2-CD1 4.06Å; Y848-F974 HydrophobicContact CD2-CE1 4.47Å; Y848-F974 HydrophobicContact CE2-CD1 4.48Å; Y848-F974 HydrophobicContact CE2-CE1 4.44Å; Y848-V975 CarbonylContact C-O 3.58Å; Y848-V975 VanDerWaalsContact CA-O 3.28Å; Y848-V975 WeakPolarHBondContact CA-O 3.42Å
849K95.7Very high93.2Very high25 Ų2558.7 Ų58.711%0.10929%0.287CS..EExtended strand (participates in β ladder)trans-140.3160.4-169.6-58-166.6176.8-158.60110.5D847 Q853 D854 E857 F974 V975 R977D847-K849 WeakPolarHBondContact OD2-CE 3.27Å; D847-K849 IonicContact OD2-NZ 3.53Å; D847-K849 PolarHBondContact OD2-NZ 3.37Å; K849-Q853 HydrophobicContact CB-CB 4.36Å; K849-Q853 HydrophobicContact CD-CG 4.11Å; K849-D854 HydrophobicContact CB-CB 4.35Å; K849-E857 IonicContact NZ-OE1 2.75Å; K849-E857 PolarHBondContact NZ-OE1 3.41Å; K849-E857 IonicContact NZ-OE2 3.62Å; K849-E857 PolarHBondContact NZ-OE2 3.25Å; K849-F974 WeakPolarHBondContact O-CA 3.4Å; K849-V975 PolarHBondContact N-O 3.45Å; K849-V975 PolarHBondContact O-N 3.28Å; K849-R977 VanDerWaalsContact CE-NH2 3.25Å; K849-R977 VanDerWaalsContact NZ-NH2 3.14Å
850D95.1Very high91.8Very high43 Ų4360.4 Ų60.423%0.2330%0.295CS..EExtended strand (participates in β ladder)trans-74156.1160.375.268.7000110.2C852 Q853 D854 K970 F973D850-C852 VanDerWaalsContact C-N 3.26Å; D850-C852 PolarHBondContact O-N 3.06Å; D850-C852 WeakPolarHBondContact OD1-CA 3.41Å; D850-C852 WeakPolarHBondContact OD1-CB 3.33Å; D850-C852 PolarHBondContact OD1-N 2.81Å; D850-Q853 PolarHBondContact O-N 3.38Å; D850-Q853 PolarHBondContact OD1-N 3.22Å; D850-D854 PolarHBondContact O-N 3.16Å; D850-D854 VanDerWaalsContact O-N 3.09Å; D850-K970 HydrophobicContact CB-CB 3.91Å; D850-K970 HydrophobicContact CB-CG 4.34Å; D850-K970 WeakPolarHBondContact OD1-CB 3.43Å; D850-F973 WeakPolarHBondContact CA-O 3.17Å
851I93.1Very high90.4Very high9 Ų962.8 Ų62.85%0.04631%0.307CS..Hα-helixtrans-65.4-26.5-174-156.2177.4000113.6A855 L866 W874 M966 F973 V975I851-A855 VanDerWaalsContact O-CB 3.32Å; I851-A855 WeakPolarHBondContact O-CB 3.4Å; I851-A855 PolarHBondContact O-N 2.93Å; I851-A855 VanDerWaalsContact O-N 3.11Å; I851-L866 HydrophobicContact CD1-CD1 3.95Å; I851-W874 HydrophobicContact CD1-CZ2 4.4Å; I851-W874 HydrophobicContact CG2-CZ2 4.17Å; I851-M966 HydrophobicContact CB-CE 4.32Å; I851-M966 HydrophobicContact CD1-CE 4.17Å; I851-M966 HydrophobicContact CG1-CE 3.77Å; I851-M966 HydrophobicContact CG2-CE 4.01Å; I851-M966 WeakPolarHBondContact O-CE 3.17Å; I851-F973 HydrophobicContact CB-CB 3.72Å; I851-F973 HydrophobicContact CD1-CB 4.32Å; I851-F973 HydrophobicContact CG2-CB 3.69Å; I851-F973 HydrophobicContact CG2-CD2 4.26Å; I851-F973 HydrophobicContact CG2-CG 4.23Å; I851-F973 PolarHBondContact N-O 3.32Å; I851-F973 VanDerWaalsContact N-O 3.08Å; I851-V975 HydrophobicContact CB-CG2 4.31Å; I851-V975 HydrophobicContact CG1-CG2 4.03Å
852C91Very high89.7Confident4 Ų457.5 Ų57.53%0.02728%0.282CS..Hα-helixtrans-74.8-40.6177.5-169.40000110.3D850 N856 M966 E967 K970D850-C852 VanDerWaalsContact C-N 3.26Å; D850-C852 PolarHBondContact O-N 3.06Å; D850-C852 WeakPolarHBondContact OD1-CA 3.41Å; D850-C852 WeakPolarHBondContact OD1-CB 3.33Å; D850-C852 PolarHBondContact OD1-N 2.81Å; C852-N856 WeakPolarHBondContact O-CB 3.02Å; C852-N856 VanDerWaalsContact O-CG 3.31Å; C852-N856 PolarHBondContact O-N 3.07Å; C852-N856 PolarHBondContact O-ND2 3.39Å; C852-N856 PolarHBondContact SG-ND2 3.17Å; C852-M966 HydrophobicContact CB-CB 4.35Å; C852-E967 PolarHBondContact SG-OE2 3.12Å; C852-K970 HydrophobicContact CB-CB 3.87Å; C852-K970 HydrophobicContact CB-CD 3.99Å
853Q92.2Very high89Confident80 Ų8054.1 Ų54.137%0.37427%0.267SS..Hα-helixtrans-61.6-46.8173.2-174.3-174.3-4.600111.6K849 D850 A855 N856 E857K849-Q853 HydrophobicContact CB-CB 4.36Å; K849-Q853 HydrophobicContact CD-CG 4.11Å; D850-Q853 PolarHBondContact O-N 3.38Å; D850-Q853 PolarHBondContact OD1-N 3.22Å; Q853-A855 PolarHBondContact O-N 3.34Å; Q853-N856 PolarHBondContact O-N 2.96Å; Q853-E857 PolarHBondContact NE2-OE1 3.4Å; Q853-E857 WeakPolarHBondContact O-CB 3.36Å; Q853-E857 WeakPolarHBondContact O-CG 3.2Å; Q853-E857 PolarHBondContact O-N 2.95Å
854D91.1Very high88.6Confident20 Ų2044.9 Ų44.911%0.10724%0.235CC..Hα-helixtrans-65.8-38.3-179-163.367.8000111.9K849 D850 E857 S858 V975 R977K849-D854 HydrophobicContact CB-CB 4.35Å; D850-D854 PolarHBondContact O-N 3.16Å; D850-D854 VanDerWaalsContact O-N 3.09Å; D854-E857 PolarHBondContact O-N 3.35Å; D854-S858 WeakPolarHBondContact O-CB 3.46Å; D854-S858 PolarHBondContact O-N 3.42Å; D854-S858 PolarHBondContact O-OG 2.99Å; D854-V975 HydrophobicContact CB-CB 4.19Å; D854-V975 HydrophobicContact CB-CG1 4.41Å; D854-V975 HydrophobicContact CB-CG2 4.22Å; D854-R977 IonicContact OD1-CZ 3.2Å; D854-R977 IonicContact OD1-NH1 2.72Å; D854-R977 PolarHBondContact OD1-NH1 2.94Å
855A89.6Confident88.2Confident2 Ų248.7 Ų48.72%0.01725%0.252CS..Hα-helixtrans-64.5-43.6174.100000113.1I851 Q853 S858 H859 M860 Y963 M966I851-A855 VanDerWaalsContact O-CB 3.32Å; I851-A855 WeakPolarHBondContact O-CB 3.4Å; I851-A855 PolarHBondContact O-N 2.93Å; I851-A855 VanDerWaalsContact O-N 3.11Å; Q853-A855 PolarHBondContact O-N 3.34Å; A855-S858 WeakPolarHBondContact CA-OG 3.38Å; A855-S858 PolarHBondContact O-N 2.69Å; A855-S858 PolarHBondContact O-OG 2.87Å; A855-H859 PolarHBondContact O-N 3.33Å; A855-M860 HydrophobicContact CB-CE 3.94Å; A855-M860 PolarHBondContact O-N 3.47Å; A855-M860 VanDerWaalsContact O-N 3.12Å; A855-Y963 HydrophobicContact CB-CE1 3.92Å; A855-Y963 PolarHBondContact O-OH 2.87Å; A855-M966 HydrophobicContact CB-CE 3.62Å
856N87.2Confident87.8Confident89 Ų8949 Ų4948%0.47625%0.254SS..Hα-helixtrans-63.9-39.6176.1-77.7-52.3000112.4C852 Q853 H859C852-N856 WeakPolarHBondContact O-CB 3.02Å; C852-N856 VanDerWaalsContact O-CG 3.31Å; C852-N856 PolarHBondContact O-N 3.07Å; C852-N856 PolarHBondContact O-ND2 3.39Å; C852-N856 PolarHBondContact SG-ND2 3.17Å; Q853-N856 PolarHBondContact O-N 2.96Å; N856-H859 PolarHBondContact O-ND1 3.32Å
857E86.4Confident87.7Confident83 Ų8346.5 Ų46.539%0.38824%0.24SC..Hα-helixtrans-73.7-35.2177.9-77.9-177.3-158.300113.8K849 Q853 D854 H859 R977K849-E857 IonicContact NZ-OE1 2.75Å; K849-E857 PolarHBondContact NZ-OE1 3.41Å; K849-E857 IonicContact NZ-OE2 3.62Å; K849-E857 PolarHBondContact NZ-OE2 3.25Å; Q853-E857 PolarHBondContact NE2-OE1 3.4Å; Q853-E857 WeakPolarHBondContact O-CB 3.36Å; Q853-E857 WeakPolarHBondContact O-CG 3.2Å; Q853-E857 PolarHBondContact O-N 2.95Å; D854-E857 PolarHBondContact O-N 3.35Å; E857-H859 VanDerWaalsContact C-N 3.26Å; E857-R977 IonicContact OE2-CZ 2.81Å; E857-R977 IonicContact OE2-NH1 2.67Å; E857-R977 IonicContact OE2-NH2 2.81Å; E857-R977 PolarHBondContact OE2-NH2 3.26Å
858S81.6Confident87.7Confident67 Ų6744.9 Ų44.947%0.46923%0.23SC..Hα-helixtrans-81.8-6.4175.653.70000113.2D854 A855 M860D854-S858 WeakPolarHBondContact O-CB 3.46Å; D854-S858 PolarHBondContact O-N 3.42Å; D854-S858 PolarHBondContact O-OG 2.99Å; A855-S858 WeakPolarHBondContact CA-OG 3.38Å; A855-S858 PolarHBondContact O-N 2.69Å; A855-S858 PolarHBondContact O-OG 2.87Å; S858-M860 VanDerWaalsContact C-N 3.33Å; S858-M860 PolarHBondContact O-N 2.97Å; S858-M860 WeakPolarHBondContact OG-CG 3.32Å
859H77.4Confident87.6Confident147 Ų14742.7 Ų42.768%0.68122%0.222SC*.THydrogen-bonded Turntrans5542.1-175.6-57.8-35.9000113.1A855 N856 E857 I861A855-H859 PolarHBondContact O-N 3.33Å; N856-H859 PolarHBondContact O-ND1 3.32Å; E857-H859 VanDerWaalsContact C-N 3.26Å; H859-I861 WeakPolarHBondContact O-CG1 3Å; H859-I861 PolarHBondContact O-N 2.61Å
860M70.1Confident87.4Confident37 Ų3745.3 Ų45.318%0.18224%0.235CC..  trans-60.5127.2176.6-60.2-154.2-45.100110.4A855 S858 E865 L866 Y963A855-M860 HydrophobicContact CB-CE 3.94Å; A855-M860 PolarHBondContact O-N 3.47Å; A855-M860 VanDerWaalsContact O-N 3.12Å; S858-M860 VanDerWaalsContact C-N 3.33Å; S858-M860 PolarHBondContact O-N 2.97Å; S858-M860 WeakPolarHBondContact OG-CG 3.32Å; M860-E865 WeakPolarHBondContact CA-OE2 3.16Å; M860-E865 HydrophobicContact CB-CB 4.44Å; M860-E865 HydrophobicContact CG-CB 4.26Å; M860-E865 HydrophobicContact SD-CB 3.79Å; M860-L866 HydrophobicContact CE-CB 4.19Å; M860-L866 HydrophobicContact CE-CD1 3.89Å; M860-Y963 WeakPolarHBondContact O-CE2 3.44Å; M860-Y963 PolarHBondContact O-OH 3.31Å
861I67.6Low86.9Confident125 Ų12545.1 Ų45.164%0.64124%0.242SC*.  trans-108.5-31.5-178.4-44.1-173.8000110H859 E865 A959H859-I861 WeakPolarHBondContact O-CG1 3Å; H859-I861 PolarHBondContact O-N 2.61Å; I861-E865 PolarHBondContact N-OE2 2.96Å; I861-A959 WeakPolarHBondContact O-CB 3.32Å
862S83.4Confident86.8Confident28 Ų2844.9 Ų44.920%0.19624%0.241CC..SBendtrans-111.7141.1-173.8-176.30000113.3S864 E865S862-S864 PolarHBondContact O-N 2.77Å; S862-S864 VanDerWaalsContact O-N 3.15Å; S862-S864 PolarHBondContact OG-N 3.34Å; S862-S864 PolarHBondContact OG-OG 2.76Å; S862-E865 PolarHBondContact N-OE2 2.93Å; S862-E865 WeakPolarHBondContact O-CB 3.05Å; S862-E865 PolarHBondContact O-N 3.06Å
863P84.1Confident86.7Confident5 Ų546.8 Ų46.83%0.03225%0.249CC..G310 helixtrans-55.2-24.3166.4-24.133.9000114.6F708 E865 L866 L878 V958F708-P863 HydrophobicContact CE2-CB 4.33Å; F708-P863 HydrophobicContact CZ-CB 4.16Å; F708-P863 HydrophobicContact CZ-CG 4.03Å; P863-E865 PolarHBondContact O-N 2.76Å; P863-L866 WeakPolarHBondContact O-CB 3.45Å; P863-L866 PolarHBondContact O-N 2.97Å; P863-L878 HydrophobicContact CB-CD2 4.01Å; P863-V958 HydrophobicContact CB-CG1 4.31Å; P863-V958 HydrophobicContact CG-CB 4.2Å; P863-V958 HydrophobicContact CG-CG1 3.42Å; P863-V958 VanDerWaalsContact CG-CG1 3.42Å
864S88.1Confident86.8Confident17 Ų1743.2 Ų43.212%0.11923%0.232CC..G310 helixtrans-73.5-11.2176.756.80000114.3P753 S862P753-S864 WeakPolarHBondContact CG-O 3.44Å; S862-S864 PolarHBondContact O-N 2.77Å; S862-S864 VanDerWaalsContact O-N 3.15Å; S862-S864 PolarHBondContact OG-N 3.34Å; S862-S864 PolarHBondContact OG-OG 2.76Å
865E89.3Confident86.8Confident87 Ų8742.4 Ų42.441%0.40723%0.228SC..G310 helixtrans-86.6-16.6176.1-62.2172130.500112.4P753 M860 I861 S862 P863P753-E865 WeakPolarHBondContact CB-O 3.39Å; M860-E865 WeakPolarHBondContact CA-OE2 3.16Å; M860-E865 HydrophobicContact CB-CB 4.44Å; M860-E865 HydrophobicContact CG-CB 4.26Å; M860-E865 HydrophobicContact SD-CB 3.79Å; I861-E865 PolarHBondContact N-OE2 2.96Å; S862-E865 PolarHBondContact N-OE2 2.93Å; S862-E865 WeakPolarHBondContact O-CB 3.05Å; S862-E865 PolarHBondContact O-N 3.06Å; P863-E865 PolarHBondContact O-N 2.76Å
866L91.4Very high86.8Confident10 Ų1045.5 Ų45.55%0.05224%0.244CC..SBendtrans-72.8130.3179.2-173.765.2000111P753 I851 M860 P863 Y868 W874 L878 M966P753-L866 VanDerWaalsContact CG-O 3.24Å; P753-L866 WeakPolarHBondContact CG-O 3.45Å; I851-L866 HydrophobicContact CD1-CD1 3.95Å; M860-L866 HydrophobicContact CE-CB 4.19Å; M860-L866 HydrophobicContact CE-CD1 3.89Å; P863-L866 WeakPolarHBondContact O-CB 3.45Å; P863-L866 PolarHBondContact O-N 2.97Å; L866-Y868 PolarHBondContact O-N 3.39Å; L866-W874 HydrophobicContact CD2-CB 3.78Å; L866-W874 HydrophobicContact CD2-CD2 4.05Å; L866-W874 HydrophobicContact CD2-CE3 4.11Å; L866-W874 HydrophobicContact CD2-CG 3.88Å; L866-L878 HydrophobicContact CD2-CD1 4.45Å; L866-M966 HydrophobicContact CD1-CE 4.32Å
867A94Very high86.9Confident8 Ų841.5 Ų41.57%0.06622%0.223CC..  trans-61.7133.8179.800000111.7F869A867-F869 HydrophobicContact CB-CE1 4.07Å; A867-F869 HydrophobicContact CB-CE2 3.86Å; A867-F869 HydrophobicContact CB-CZ 3.53Å
868Y95.6Very high87.1Confident5 Ų537.7 Ų37.72%0.0221%0.206CC..  trans-119.895.3-163.9-168.7-82.1000110.6V698 V700 K701 M704 M714 F718 N754 L866 P875V698-Y868 HydrophobicContact CG2-CD1 4.06Å; V698-Y868 HydrophobicContact CG2-CE1 3.84Å; V700-Y868 HydrophobicContact CG2-CD1 4.38Å; V700-Y868 HydrophobicContact CG2-CE1 4.15Å; K701-Y868 WeakPolarHBondContact CB-OH 3.43Å; K701-Y868 VanDerWaalsContact CG-OH 3.29Å; K701-Y868 WeakPolarHBondContact CG-OH 3.22Å; K701-Y868 PolarHBondContact N-OH 2.69Å; M704-Y868 HydrophobicContact CG-CE2 4.14Å; M714-Y868 HydrophobicContact CE-CD2 4.13Å; M714-Y868 HydrophobicContact CE-CG 4.18Å; F718-Y868 HydrophobicContact CD2-CD1 4.2Å; F718-Y868 HydrophobicContact CE2-CD1 4.21Å; F718-Y868 HydrophobicContact CE2-CG 4.33Å; N754-Y868 PolarHBondContact ND2-O 3.03Å; N754-Y868 PolarHBondContact OD1-N 3.38Å; L866-Y868 PolarHBondContact O-N 3.39Å; Y868-P875 HydrophobicContact CD1-CG 4.31Å; Y868-P875 HydrophobicContact CD2-CB 4.33Å; Y868-P875 HydrophobicContact CD2-CG 3.93Å; Y868-P875 HydrophobicContact CE1-CB 4.28Å; Y868-P875 HydrophobicContact CE1-CG 4.2Å; Y868-P875 HydrophobicContact CE2-CB 3.71Å; Y868-P875 HydrophobicContact CE2-CG 3.82Å; Y868-P875 HydrophobicContact CG-CG 4.16Å
869F96Very high87.6Confident5 Ų536.1 Ų36.12%0.02219%0.191CC..  trans-107.2150.8-170.8-53.3-51.2000113.7Y746 R757 Y759 H799 A867 G871 D872Y746-F869 AromaticContact CD2-CD1 3.98Å; Y746-F869 HydrophobicContact CD2-CD1 3.98Å; Y746-F869 AromaticContact CD2-CE1 3.96Å; Y746-F869 HydrophobicContact CD2-CE1 3.96Å; Y746-F869 HydrophobicContact CE1-CD1 4.48Å; Y746-F869 AromaticContact CE2-CD1 3.39Å; Y746-F869 HydrophobicContact CE2-CD1 3.39Å; Y746-F869 AromaticContact CE2-CE1 3.86Å; Y746-F869 HydrophobicContact CE2-CE1 3.86Å; Y746-F869 HydrophobicContact CE2-CG 4.39Å; Y746-F869 AromaticContact CZ-CD1 3.71Å; R757-F869 HydrophobicContact CB-CE1 4.2Å; R757-F869 HydrophobicContact CB-CZ 4.22Å; Y759-F869 HydrophobicContact CD1-CB 3.79Å; Y759-F869 HydrophobicContact CD1-CD2 4.28Å; Y759-F869 HydrophobicContact CD1-CG 4.1Å; Y759-F869 AromaticContact CD2-CD2 3.63Å; Y759-F869 HydrophobicContact CD2-CD2 3.63Å; Y759-F869 HydrophobicContact CD2-CE2 4.02Å; Y759-F869 HydrophobicContact CD2-CG 4.26Å; Y759-F869 HydrophobicContact CE1-CB 4.08Å; Y759-F869 HydrophobicContact CE2-CD2 4.16Å; Y759-F869 HydrophobicContact CG-CB 4.07Å; Y759-F869 AromaticContact CG-CD2 3.7Å; Y759-F869 HydrophobicContact CG-CD2 3.7Å; Y759-F869 HydrophobicContact CG-CE2 4.23Å; Y759-F869 AromaticContact CG-CG 3.86Å; Y759-F869 HydrophobicContact CG-CG 3.86Å; H799-F869 HydrophobicContact CB-CE2 3.7Å; H799-F869 HydrophobicContact CB-CZ 4.14Å; H799-F869 AromaticContact CD2-CZ 3.67Å; H799-F869 AromaticContact CG-CE2 3.6Å; H799-F869 AromaticContact CG-CZ 3.74Å; H799-F869 AromaticContact ND1-CE2 3.9Å; A867-F869 HydrophobicContact CB-CE1 4.07Å; A867-F869 HydrophobicContact CB-CE2 3.86Å; A867-F869 HydrophobicContact CB-CZ 3.53Å; F869-G871 PolarHBondContact O-N 2.97Å; F869-D872 HydrophobicContact CB-CB 3.94Å; F869-D872 PolarHBondContact O-N 3.08Å
870E90.8Very high88.2Confident81 Ų8135 Ų3538%0.37919%0.186SC..THydrogen-bonded Turntrans-64.3131.8176.2-174.153.2-10400111.1V698 Y720 Q744 Y746 D872V698-E870 HydrophobicContact CB-CB 4.11Å; V698-E870 HydrophobicContact CG2-CB 4.22Å; Y720-E870 HydrophobicContact CE1-CB 4.32Å; Q744-E870 PolarHBondContact NE2-O 3.27Å; Y746-E870 PolarHBondContact OH-N 3.28Å; E870-D872 PolarHBondContact O-N 3.19Å
871G84.7Confident89.2Confident38 Ų3833.5 Ų33.539%0.39218%0.179SC..THydrogen-bonded Turntrans68.16-179.500000117.2F869F869-G871 PolarHBondContact O-N 2.97Å
872D90.9Very high90.3Very high5 Ų527.7 Ų27.73%0.02715%0.149CC..  trans-78.6164.4179.3178.646.9000113.5Y759 F869 E870 W874 N876Y759-D872 HydrophobicContact CE1-CB 4.36Å; Y759-D872 PolarHBondContact OH-OD1 3.19Å; F869-D872 HydrophobicContact CB-CB 3.94Å; F869-D872 PolarHBondContact O-N 3.08Å; E870-D872 PolarHBondContact O-N 3.19Å; D872-W874 VanDerWaalsContact OD2-CD1 3.27Å; D872-W874 PolarHBondContact OD2-N 3.04Å; D872-N876 PolarHBondContact O-ND2 3.42Å
873F89.7Confident90.6Very high44 Ų4429.2 Ų29.219%0.19315%0.152CC..Hα-helixtrans-60.6-48.4177.3179.8-104.1000112.9W801 N876 T877 I965 F973W801-F873 HydrophobicContact CD2-CB 4.34Å; W801-F873 HydrophobicContact CE3-CB 4.48Å; W801-F873 HydrophobicContact CH2-CB 4.12Å; W801-F873 HydrophobicContact CZ2-CB 3.94Å; W801-F873 HydrophobicContact CZ2-CD2 4.17Å; W801-F873 HydrophobicContact CZ2-CG 4.45Å; W801-F873 HydrophobicContact CZ3-CB 4.37Å; F873-N876 WeakPolarHBondContact O-CB 3.5Å; F873-N876 PolarHBondContact O-N 2.69Å; F873-T877 WeakPolarHBondContact CD1-OG1 3.41Å; F873-T877 HydrophobicContact CE1-CG2 4.3Å; F873-T877 WeakPolarHBondContact CE1-OG1 3.34Å; F873-T877 WeakPolarHBondContact CZ-OG1 3.43Å; F873-T877 PolarHBondContact O-N 2.68Å; F873-T877 VanDerWaalsContact O-N 3.08Å; F873-T877 PolarHBondContact O-OG1 3.06Å; F873-I965 HydrophobicContact CE1-CG2 3.98Å; F873-I965 HydrophobicContact CZ-CG2 4.15Å; F873-F973 HydrophobicContact CB-CE1 3.82Å; F873-F973 HydrophobicContact CB-CZ 3.57Å; F873-F973 HydrophobicContact CD1-CE1 4.3Å; F873-F973 AromaticContact CD1-CE2 3.97Å; F873-F973 HydrophobicContact CD1-CE2 3.97Å; F873-F973 AromaticContact CD1-CZ 3.42Å; F873-F973 HydrophobicContact CD1-CZ 3.42Å; F873-F973 VanDerWaalsContact CD1-CZ 3.42Å; F873-F973 HydrophobicContact CD2-CZ 4.49Å; F873-F973 HydrophobicContact CE1-CE2 4.34Å; F873-F973 HydrophobicContact CE1-CZ 4.2Å; F873-F973 HydrophobicContact CG-CE1 4.34Å; F873-F973 HydrophobicContact CG-CE2 4.48Å; F873-F973 AromaticContact CG-CZ 3.6Å; F873-F973 HydrophobicContact CG-CZ 3.6Å
874W93.3Very high90.8Very high4 Ų434.2 Ų34.22%0.01518%0.175CC..Hα-helixtrans-63.3-42.9-167.8-64104.3000114.7I851 L866 D872 N876 T877 L878 I965 M966 F973I851-W874 HydrophobicContact CD1-CZ2 4.4Å; I851-W874 HydrophobicContact CG2-CZ2 4.17Å; L866-W874 HydrophobicContact CD2-CB 3.78Å; L866-W874 HydrophobicContact CD2-CD2 4.05Å; L866-W874 HydrophobicContact CD2-CE3 4.11Å; L866-W874 HydrophobicContact CD2-CG 3.88Å; D872-W874 VanDerWaalsContact OD2-CD1 3.27Å; D872-W874 PolarHBondContact OD2-N 3.04Å; W874-N876 PolarHBondContact O-N 2.83Å; W874-T877 HydrophobicContact CE3-CG2 4.43Å; W874-T877 HydrophobicContact CZ3-CG2 4.33Å; W874-T877 PolarHBondContact O-N 3.48Å; W874-L878 WeakPolarHBondContact O-CG 3.15Å; W874-L878 PolarHBondContact O-N 3.35Å; W874-I965 HydrophobicContact CH2-CG2 4Å; W874-I965 HydrophobicContact CZ3-CB 4.36Å; W874-I965 HydrophobicContact CZ3-CG2 3.96Å; W874-M966 HydrophobicContact CH2-CB 4.12Å; W874-M966 HydrophobicContact CH2-CG 3.39Å; W874-M966 HydrophobicContact CZ2-CG 3.96Å; W874-M966 HydrophobicContact CZ3-CG 3.7Å; W874-F973 AromaticContact CZ2-CD2 3.81Å; W874-F973 HydrophobicContact CZ2-CD2 3.81Å; W874-F973 AromaticContact CZ2-CE2 3.66Å; W874-F973 HydrophobicContact CZ2-CE2 3.66Å; W874-F973 HydrophobicContact CZ2-CG 4.4Å; W874-F973 HydrophobicContact CZ2-CZ 4.13Å; W874-F973 AromaticContact NE1-CD1 3.49Å; W874-F973 AromaticContact NE1-CE1 3.44Å; W874-F973 AromaticContact NE1-CE2 3.98Å; W874-F973 AromaticContact NE1-CG 3.81Å; W874-F973 AromaticContact NE1-CZ 3.71Å
875P91.5Very high90.7Very high4 Ų433.9 Ų33.93%0.02617%0.172CC..Hα-helixtrans-57.5-26.9172.3-30.338.5000115.3K701 Y868 E879K701-P875 HydrophobicContact CD-CB 4.46Å; Y868-P875 HydrophobicContact CD1-CG 4.31Å; Y868-P875 HydrophobicContact CD2-CB 4.33Å; Y868-P875 HydrophobicContact CD2-CG 3.93Å; Y868-P875 HydrophobicContact CE1-CB 4.28Å; Y868-P875 HydrophobicContact CE1-CG 4.2Å; Y868-P875 HydrophobicContact CE2-CB 3.71Å; Y868-P875 HydrophobicContact CE2-CG 3.82Å; Y868-P875 HydrophobicContact CG-CG 4.16Å; P875-E879 WeakPolarHBondContact O-CG 3.47Å
876N89.2Confident90.7Very high66 Ų6633.6 Ų33.635%0.35317%0.173SC..Hα-helixtrans-81.9-48176.2-63-63.6000110.7K701 D872 F873 W874 L878 E879 E880K701-N876 PolarHBondContact NZ-OD1 2.67Å; D872-N876 PolarHBondContact O-ND2 3.42Å; F873-N876 WeakPolarHBondContact O-CB 3.5Å; F873-N876 PolarHBondContact O-N 2.69Å; W874-N876 PolarHBondContact O-N 2.83Å; N876-L878 VanDerWaalsContact C-N 3.27Å; N876-L878 PolarHBondContact O-N 2.86Å; N876-E879 PolarHBondContact O-N 3.24Å; N876-E880 WeakPolarHBondContact O-CG 3.27Å; N876-E880 PolarHBondContact O-N 3.14Å
877T90.3Very high90.6Very high5 Ų535.3 Ų35.33%0.03118%0.18CC..Hα-helixtrans-55.9-38.9177.5-55.70000112.9F873 W874 E880 I881 I965F873-T877 WeakPolarHBondContact CD1-OG1 3.41Å; F873-T877 HydrophobicContact CE1-CG2 4.3Å; F873-T877 WeakPolarHBondContact CE1-OG1 3.34Å; F873-T877 WeakPolarHBondContact CZ-OG1 3.43Å; F873-T877 PolarHBondContact O-N 2.68Å; F873-T877 VanDerWaalsContact O-N 3.08Å; F873-T877 PolarHBondContact O-OG1 3.06Å; W874-T877 HydrophobicContact CE3-CG2 4.43Å; W874-T877 HydrophobicContact CZ3-CG2 4.33Å; W874-T877 PolarHBondContact O-N 3.48Å; T877-E880 PolarHBondContact O-N 3.27Å; T877-I881 HydrophobicContact CG2-CD1 4.15Å; T877-I881 VanDerWaalsContact O-CG1 3.31Å; T877-I881 WeakPolarHBondContact O-CG1 3.22Å; T877-I881 PolarHBondContact O-N 3.33Å; T877-I965 HydrophobicContact CG2-CD1 3.66Å; T877-I965 HydrophobicContact CG2-CG2 3.99Å
878L91.2Very high90.3Very high3 Ų338.4 Ų38.42%0.01619%0.193CC..Hα-helixtrans-64.6-47.1177.5-72.5164.7000112M704 P863 L866 W874 N876 E880 I881 F882 V962M704-L878 HydrophobicContact CG-CB 4.25Å; M704-L878 HydrophobicContact CG-CD1 4.24Å; M704-L878 HydrophobicContact SD-CB 4.27Å; M704-L878 HydrophobicContact SD-CD1 3.89Å; M704-L878 HydrophobicContact SD-CD2 4.38Å; M704-L878 HydrophobicContact SD-CG 4.41Å; P863-L878 HydrophobicContact CB-CD2 4.01Å; L866-L878 HydrophobicContact CD2-CD1 4.45Å; W874-L878 WeakPolarHBondContact O-CG 3.15Å; W874-L878 PolarHBondContact O-N 3.35Å; N876-L878 VanDerWaalsContact C-N 3.27Å; N876-L878 PolarHBondContact O-N 2.86Å; L878-E880 VanDerWaalsContact C-N 3.28Å; L878-E880 PolarHBondContact O-N 3.16Å; L878-I881 PolarHBondContact O-N 2.94Å; L878-F882 HydrophobicContact CB-CE2 4.11Å; L878-F882 HydrophobicContact CB-CZ 4.3Å; L878-F882 HydrophobicContact CD2-CZ 4.3Å; L878-F882 WeakPolarHBondContact O-CD1 3.37Å; L878-F882 WeakPolarHBondContact O-CD2 3.49Å; L878-F882 WeakPolarHBondContact O-CG 3.47Å; L878-F882 PolarHBondContact O-N 3.03Å; L878-V962 HydrophobicContact CD2-CG2 3.63Å
879E90.8Very high89.8Confident35 Ų3541.3 Ų41.316%0.16421%0.209CC..Hα-helixtrans-63.8-33.7176.2-62.8-72.5111.400112.2K701 S702 G703 M704 P875 N876 F882 K883K701-E879 HydrophobicContact CB-CG 3.61Å; K701-E879 HydrophobicContact CD-CG 3.89Å; K701-E879 HydrophobicContact CG-CG 4.39Å; S702-E879 WeakPolarHBondContact CB-OE2 2.99Å; S702-E879 PolarHBondContact N-OE2 3.43Å; S702-E879 PolarHBondContact OG-OE2 3.46Å; G703-E879 VanDerWaalsContact CA-OE1 3.24Å; G703-E879 WeakPolarHBondContact CA-OE1 3.43Å; G703-E879 PolarHBondContact N-OE1 3.46Å; G703-E879 PolarHBondContact N-OE2 3.1Å; M704-E879 PolarHBondContact N-OE1 3.15Å; P875-E879 WeakPolarHBondContact O-CG 3.47Å; N876-E879 PolarHBondContact O-N 3.24Å; E879-F882 PolarHBondContact O-N 3.28Å; E879-K883 WeakPolarHBondContact O-CB 3.05Å; E879-K883 PolarHBondContact O-N 3.43Å
880E90Very high89.4Confident123 Ų12344 Ų4458%0.57523%0.233SC*.Hα-helixtrans-65.4-50174.1-72.9173.2-177.800111.7N876 T877 L878 F882 K883 E884N876-E880 WeakPolarHBondContact O-CG 3.27Å; N876-E880 PolarHBondContact O-N 3.14Å; T877-E880 PolarHBondContact O-N 3.27Å; L878-E880 VanDerWaalsContact C-N 3.28Å; L878-E880 PolarHBondContact O-N 3.16Å; E880-F882 VanDerWaalsContact C-N 3.26Å; E880-F882 PolarHBondContact O-N 3.23Å; E880-K883 PolarHBondContact O-N 3.21Å; E880-E884 WeakPolarHBondContact O-CG 3.24Å; E880-E884 PolarHBondContact O-N 2.87Å
881I90.9Very high89.4Confident5 Ų546.1 Ų46.13%0.02624%0.241CC..Hα-helixtrans-55.2-43.5173.7-68.6165000110.7T877 L878 E884 M885 V958 R961 V962 I965T877-I881 HydrophobicContact CG2-CD1 4.15Å; T877-I881 VanDerWaalsContact O-CG1 3.31Å; T877-I881 WeakPolarHBondContact O-CG1 3.22Å; T877-I881 PolarHBondContact O-N 3.33Å; L878-I881 PolarHBondContact O-N 2.94Å; I881-E884 PolarHBondContact O-N 3.1Å; I881-M885 HydrophobicContact CG2-CG 4.42Å; I881-M885 HydrophobicContact CG2-SD 3.89Å; I881-M885 WeakPolarHBondContact O-CG 3.46Å; I881-M885 PolarHBondContact O-N 3.28Å; I881-V958 HydrophobicContact CG2-CG1 4.47Å; I881-R961 HydrophobicContact CD1-CB 4.21Å; I881-R961 HydrophobicContact CG1-CB 4.44Å; I881-R961 HydrophobicContact CG2-CB 4.18Å; I881-V962 HydrophobicContact CD1-CG2 3.72Å; I881-I965 HydrophobicContact CD1-CD1 4.1Å; I881-I965 HydrophobicContact CG1-CD1 4.28Å
882F90.9Very high89.6Confident3 Ų350.6 Ų50.61%0.01325%0.246CC..Hα-helixtrans-65.9-42.6-178.7-61.2-24.7000112.6M704 R707 F708 L878 E879 E880 M885 D886 V958M704-F882 HydrophobicContact CB-CE2 4.26Å; M704-F882 HydrophobicContact CG-CE2 3.7Å; M704-F882 HydrophobicContact CG-CZ 4.32Å; M704-F882 HydrophobicContact SD-CE2 3.48Å; M704-F882 WeakPolarHBondContact SD-CE2 3.49Å; M704-F882 HydrophobicContact SD-CZ 3.47Å; M704-F882 WeakPolarHBondContact SD-CZ 3.13Å; R707-F882 PolarHBondContact NH2-O 3.15Å; F708-F882 HydrophobicContact CE2-CZ 4Å; L878-F882 HydrophobicContact CB-CE2 4.11Å; L878-F882 HydrophobicContact CB-CZ 4.3Å; L878-F882 HydrophobicContact CD2-CZ 4.3Å; L878-F882 WeakPolarHBondContact O-CD1 3.37Å; L878-F882 WeakPolarHBondContact O-CD2 3.49Å; L878-F882 WeakPolarHBondContact O-CG 3.47Å; L878-F882 PolarHBondContact O-N 3.03Å; E879-F882 PolarHBondContact O-N 3.28Å; E880-F882 VanDerWaalsContact C-N 3.26Å; E880-F882 PolarHBondContact O-N 3.23Å; F882-M885 PolarHBondContact O-N 3.48Å; F882-D886 WeakPolarHBondContact O-CB 3.44Å; F882-D886 VanDerWaalsContact O-CG 3.31Å; F882-D886 PolarHBondContact O-N 3.12Å; F882-V958 HydrophobicContact CD1-CG2 4.16Å; F882-V958 HydrophobicContact CE1-CB 4.38Å; F882-V958 HydrophobicContact CE1-CG1 3.62Å; F882-V958 HydrophobicContact CE1-CG2 3.76Å; F882-V958 HydrophobicContact CZ-CG1 4.37Å
883K89.6Confident89.5Confident61 Ų6156.5 Ų56.527%0.26527%0.271SS..Hα-helixtrans-62.4-42.7175-179.7-176.5175-60.30111.7E879 E880 E887 N1216E879-K883 WeakPolarHBondContact O-CB 3.05Å; E879-K883 PolarHBondContact O-N 3.43Å; E880-K883 PolarHBondContact O-N 3.21Å; K883-E887 WeakPolarHBondContact CE-OE1 3.4Å; K883-E887 IonicContact NZ-OE1 3.48Å; K883-E887 PolarHBondContact NZ-OE1 2.84Å; K883-E887 IonicContact NZ-OE2 3.9Å; K883-E887 WeakPolarHBondContact O-CB 3.29Å; K883-E887 WeakPolarHBondContact O-CG 3.47Å; K883-E887 PolarHBondContact O-N 2.9Å; K883-N1216 PolarHBondContact NZ-ND2 3.5Å; K883-N1216 VanDerWaalsContact NZ-ND2 3.14Å
884E89.5Confident89.3Confident109 Ų10961.1 Ų61.151%0.50929%0.293SS..Hα-helixtrans-61.6-45.7174.5-72.8-176.216600111.7E880 I881 E887 E888 R961E880-E884 WeakPolarHBondContact O-CG 3.24Å; E880-E884 PolarHBondContact O-N 2.87Å; I881-E884 PolarHBondContact O-N 3.1Å; E884-E887 PolarHBondContact O-N 3.3Å; E884-E888 WeakPolarHBondContact O-CG 3.47Å; E884-E888 PolarHBondContact O-N 3.09Å; E884-R961 IonicContact OE2-NH1 3.33Å
885M85.8Confident89Confident11 Ų1165.8 Ų65.85%0.05432%0.315CS..Hα-helixtrans-65.8-40.9178-70.6178.470.600112.9I881 F882 E887 E888 D889 V954 E957 V958I881-M885 HydrophobicContact CG2-CG 4.42Å; I881-M885 HydrophobicContact CG2-SD 3.89Å; I881-M885 WeakPolarHBondContact O-CG 3.46Å; I881-M885 PolarHBondContact O-N 3.28Å; F882-M885 PolarHBondContact O-N 3.48Å; M885-E887 VanDerWaalsContact C-N 3.3Å; M885-E887 PolarHBondContact O-N 3.35Å; M885-E888 PolarHBondContact O-N 3.44Å; M885-D889 WeakPolarHBondContact O-CB 3.48Å; M885-D889 PolarHBondContact O-N 3.03Å; M885-V954 HydrophobicContact CE-CG1 3.94Å; M885-E957 HydrophobicContact CE-CB 4.07Å; M885-E957 HydrophobicContact CE-CG 3.65Å; M885-E957 HydrophobicContact SD-CG 4.34Å; M885-V958 HydrophobicContact CE-CG2 3.96Å; M885-V958 HydrophobicContact SD-CG2 3.54Å; M885-V958 VanDerWaalsContact SD-CG2 3.54Å
886D88.1Confident88.6Confident81 Ų8172 Ų7243%0.43334%0.344SS..Hα-helixtrans-64.4-35.2175.6-72.6-25.7000111.5R707 F882 A890R707-D886 IonicContact CZ-OD1 2.71Å; R707-D886 VanDerWaalsContact NH2-CG 3.28Å; R707-D886 IonicContact NH2-OD1 3.02Å; R707-D886 PolarHBondContact NH2-OD1 3.34Å; R707-D886 IonicContact NH2-OD2 3.33Å; R707-D886 PolarHBondContact NH2-OD2 3.03Å; F882-D886 WeakPolarHBondContact O-CB 3.44Å; F882-D886 VanDerWaalsContact O-CG 3.31Å; F882-D886 PolarHBondContact O-N 3.12Å; D886-A890 VanDerWaalsContact O-CB 3.27Å; D886-A890 WeakPolarHBondContact O-CB 3.46Å; D886-A890 PolarHBondContact O-N 3.24Å
887E89.7Confident88.5Confident45 Ų4573.3 Ų73.321%0.2135%0.348CS..Hα-helixtrans-73.3-38.3174.8-74.9174.8-161.900112.4K883 E884 M885 K891 N1216K883-E887 WeakPolarHBondContact CE-OE1 3.4Å; K883-E887 IonicContact NZ-OE1 3.48Å; K883-E887 PolarHBondContact NZ-OE1 2.84Å; K883-E887 IonicContact NZ-OE2 3.9Å; K883-E887 WeakPolarHBondContact O-CB 3.29Å; K883-E887 WeakPolarHBondContact O-CG 3.47Å; K883-E887 PolarHBondContact O-N 2.9Å; E884-E887 PolarHBondContact O-N 3.3Å; M885-E887 VanDerWaalsContact C-N 3.3Å; M885-E887 PolarHBondContact O-N 3.35Å; E887-K891 WeakPolarHBondContact O-CB 3.38Å; E887-K891 PolarHBondContact O-N 3.32Å; E887-N1216 PolarHBondContact OE2-ND2 3.36Å
888E87.2Confident88.4Confident73 Ų7376.2 Ų76.234%0.34137%0.373SS..Hα-helixtrans-60.5-45170.2-78.6174.8-138.400111.6E884 M885 K891 R892 R961E884-E888 WeakPolarHBondContact O-CG 3.47Å; E884-E888 PolarHBondContact O-N 3.09Å; M885-E888 PolarHBondContact O-N 3.44Å; E888-K891 PolarHBondContact O-N 2.71Å; E888-R892 WeakPolarHBondContact O-CG 3.45Å; E888-R892 PolarHBondContact O-N 2.95Å; E888-R961 VanDerWaalsContact CD-NH2 3.32Å; E888-R961 IonicContact OE1-CZ 2.75Å; E888-R961 VanDerWaalsContact OE1-CZ 3.31Å; E888-R961 IonicContact OE1-NH1 2.68Å; E888-R961 PolarHBondContact OE1-NH1 2.92Å; E888-R961 IonicContact OE1-NH2 2.61Å; E888-R961 PolarHBondContact OE1-NH2 3.44Å; E888-R961 IonicContact OE2-CZ 3.9Å; E888-R961 IonicContact OE2-NH1 2.74Å; E888-R961 IonicContact OE2-NH2 2.7Å; E888-R961 PolarHBondContact OE2-NH2 3.05Å
889D85.5Confident87.9Confident66 Ų6682.4 Ų82.435%0.35341%0.405SS..Hα-helixtrans-70.8-39.8179.1-86.2-27000113.3M885 K891 R892 K893M885-D889 WeakPolarHBondContact O-CB 3.48Å; M885-D889 PolarHBondContact O-N 3.03Å; D889-K891 VanDerWaalsContact C-N 3.26Å; D889-K891 PolarHBondContact O-N 3.45Å; D889-R892 PolarHBondContact O-N 3.01Å; D889-R892 IonicContact OD1-CZ 3.84Å; D889-R892 IonicContact OD1-NE 3.97Å; D889-R892 PolarHBondContact OD1-NE 3.11Å; D889-R892 IonicContact OD1-NH2 2.7Å; D889-R892 PolarHBondContact OD1-NH2 2.84Å; D889-R892 IonicContact OD2-NH2 3.77Å; D889-K893 WeakPolarHBondContact O-CB 3.35Å; D889-K893 PolarHBondContact O-N 2.77Å
890A88.6Confident87.4Confident62 Ų6283.7 Ų83.751%0.51242%0.421SS..Hα-helixtrans-57.7-42.317100000111.2D886 Q894D886-A890 VanDerWaalsContact O-CB 3.27Å; D886-A890 WeakPolarHBondContact O-CB 3.46Å; D886-A890 PolarHBondContact O-N 3.24Å; A890-Q894 WeakPolarHBondContact O-CB 3.36Å; A890-Q894 PolarHBondContact O-N 2.93Å
891K90.6Very high86.5Confident125 Ų12586.9 Ų86.954%0.54343%0.428SS..Hα-helixtrans-67.9-47.1176.4-174.9-178.9171.8-171.30112.4E887 E888 D889 K893 Q894 E895E887-K891 WeakPolarHBondContact O-CB 3.38Å; E887-K891 PolarHBondContact O-N 3.32Å; E888-K891 PolarHBondContact O-N 2.71Å; D889-K891 VanDerWaalsContact C-N 3.26Å; D889-K891 PolarHBondContact O-N 3.45Å; K891-K893 PolarHBondContact O-N 2.83Å; K891-Q894 PolarHBondContact O-N 2.92Å; K891-Q894 VanDerWaalsContact O-N 3.13Å; K891-E895 WeakPolarHBondContact CE-OE1 3.37Å; K891-E895 IonicContact NZ-OE1 2.93Å; K891-E895 WeakPolarHBondContact O-CG 3.33Å; K891-E895 PolarHBondContact O-N 3Å
892R87.7Confident85.1Confident133 Ų13389.2 Ų89.250%0.50245%0.453SS..Hα-helixtrans-56.7-40.5175.8-75.5-165.2-73-153.10.8111.5E888 D889 Q896E888-R892 WeakPolarHBondContact O-CG 3.45Å; E888-R892 PolarHBondContact O-N 2.95Å; D889-R892 PolarHBondContact O-N 3.01Å; D889-R892 IonicContact OD1-CZ 3.84Å; D889-R892 IonicContact OD1-NE 3.97Å; D889-R892 PolarHBondContact OD1-NE 3.11Å; D889-R892 IonicContact OD1-NH2 2.7Å; D889-R892 PolarHBondContact OD1-NH2 2.84Å; D889-R892 IonicContact OD2-NH2 3.77Å; R892-Q896 WeakPolarHBondContact O-CG 3.46Å; R892-Q896 PolarHBondContact O-N 2.9Å; R892-Q896 VanDerWaalsContact O-N 3.13Å
893K89Confident83.6Confident128 Ų12895.9 Ų95.956%0.55749%0.489SS*.Hα-helixtrans-67.3-44.6175-179.3171.4172.1174.60112.2D889 K891 E895 Q896 E897D889-K893 WeakPolarHBondContact O-CB 3.35Å; D889-K893 PolarHBondContact O-N 2.77Å; K891-K893 PolarHBondContact O-N 2.83Å; K893-E895 VanDerWaalsContact C-N 3.32Å; K893-E895 PolarHBondContact O-N 2.9Å; K893-Q896 PolarHBondContact O-N 2.87Å; K893-E897 WeakPolarHBondContact CE-OE1 3.46Å; K893-E897 IonicContact NZ-OE1 3.52Å; K893-E897 PolarHBondContact O-N 3.02Å
894Q85.5Confident82Confident141 Ų14199.5 Ų99.566%0.65951%0.511SS*.Hα-helixtrans-61.7-39.2176.9-171.3178.614.400112.2A890 K891 E897 A898A890-Q894 WeakPolarHBondContact O-CB 3.36Å; A890-Q894 PolarHBondContact O-N 2.93Å; K891-Q894 PolarHBondContact O-N 2.92Å; K891-Q894 VanDerWaalsContact O-N 3.13Å; Q894-E897 PolarHBondContact O-N 2.91Å; Q894-A898 VanDerWaalsContact O-CB 3.27Å; Q894-A898 WeakPolarHBondContact O-CB 3.38Å; Q894-A898 PolarHBondContact O-N 2.81Å
895E87.5Confident80.4Confident102 Ų102101.5 Ų101.548%0.47753%0.526SS..Hα-helixtrans-65.5-38.9175.1-72.3175.7177.600111.9K891 K893 L899K891-E895 WeakPolarHBondContact CE-OE1 3.37Å; K891-E895 IonicContact NZ-OE1 2.93Å; K891-E895 WeakPolarHBondContact O-CG 3.33Å; K891-E895 PolarHBondContact O-N 3Å; K893-E895 VanDerWaalsContact C-N 3.32Å; K893-E895 PolarHBondContact O-N 2.9Å; E895-L899 VanDerWaalsContact O-CG 3.32Å; E895-L899 WeakPolarHBondContact O-CG 3.45Å; E895-L899 PolarHBondContact O-N 2.83Å
896Q83.9Confident78.8Confident135 Ų135108.7 Ų108.763%0.63156%0.564SS**Hα-helixtrans-68.1-42.7173.9-71.8174.624.300112.8R892 K893 A898 L899 A900R892-Q896 WeakPolarHBondContact O-CG 3.46Å; R892-Q896 PolarHBondContact O-N 2.9Å; R892-Q896 VanDerWaalsContact O-N 3.13Å; K893-Q896 PolarHBondContact O-N 2.87Å; Q896-A898 VanDerWaalsContact C-N 3.31Å; Q896-A898 PolarHBondContact O-N 2.82Å; Q896-L899 PolarHBondContact O-N 3.42Å; Q896-A900 WeakPolarHBondContact O-CB 3.25Å; Q896-A900 PolarHBondContact O-N 3.16Å
897E86.9Confident76.5Confident93 Ų93113.8 Ų113.844%0.43559%0.586SS.*Hα-helixtrans-66.2-32.9176-72.8-177.8-164.800112.4K893 Q894 R901K893-E897 WeakPolarHBondContact CE-OE1 3.46Å; K893-E897 IonicContact NZ-OE1 3.52Å; K893-E897 PolarHBondContact O-N 3.02Å; Q894-E897 PolarHBondContact O-N 2.91Å; E897-R901 VanDerWaalsContact O-CG 3.29Å; E897-R901 WeakPolarHBondContact O-CG 3.48Å; E897-R901 PolarHBondContact O-N 3.12Å
898A86.7Confident74.3Confident67 Ų67115.8 Ų115.855%0.55461%0.61SS**Hα-helixtrans-71-34173.900000112.8Q894 Q896Q894-A898 VanDerWaalsContact O-CB 3.27Å; Q894-A898 WeakPolarHBondContact O-CB 3.38Å; Q894-A898 PolarHBondContact O-N 2.81Å; Q896-A898 VanDerWaalsContact C-N 3.31Å; Q896-A898 PolarHBondContact O-N 2.82Å
899L81.8Confident71.9Confident133 Ų133122.1 Ų122.170%0.69664%0.636SS**Hα-helixtrans-72.1-43.2173.4-73.8167.7000111.9E895 Q896 R901 G902E895-L899 VanDerWaalsContact O-CG 3.32Å; E895-L899 WeakPolarHBondContact O-CG 3.45Å; E895-L899 PolarHBondContact O-N 2.83Å; Q896-L899 PolarHBondContact O-N 3.42Å; L899-R901 VanDerWaalsContact C-N 3.33Å; L899-R901 PolarHBondContact O-N 3.4Å; L899-G902 PolarHBondContact O-N 3.12Å
900A79.2Confident69.6Low61 Ų61127.2 Ų127.250%0.50466%0.658SS.*Hα-helixtrans-60.1-41.6179.100000112.3Q896 G902 D903Q896-A900 WeakPolarHBondContact O-CB 3.25Å; Q896-A900 PolarHBondContact O-N 3.16Å; A900-G902 PolarHBondContact O-N 3.5Å; A900-G902 VanDerWaalsContact O-N 3.09Å; A900-D903 PolarHBondContact O-N 3.32Å
901R72.2Confident67.3Low190 Ų190128.8 Ų128.872%0.71766%0.658SS**THydrogen-bonded Turntrans-67.8-2.4174.3-69.2171.5-177.5-850.4114.5E897 L899E897-R901 VanDerWaalsContact O-CG 3.29Å; E897-R901 WeakPolarHBondContact O-CG 3.48Å; E897-R901 PolarHBondContact O-N 3.12Å; L899-R901 VanDerWaalsContact C-N 3.33Å; L899-R901 PolarHBondContact O-N 3.4Å
902G60.6Low64.9Low54 Ų54128.9 Ų128.956%0.55767%0.668SS**THydrogen-bonded Turntrans-95.9-13.1179.500000115.1L899 A900L899-G902 PolarHBondContact O-N 3.12Å; A900-G902 PolarHBondContact O-N 3.5Å; A900-G902 VanDerWaalsContact O-N 3.09Å
903D59.2Low62.6Low143 Ų143129.4 Ų129.477%0.76568%0.677SS**THydrogen-bonded Turntrans-99.5-14-179.5-82.5-17.1000113.2A900A900-D903 PolarHBondContact O-N 3.32Å
904D57.1Low60.2Low137 Ų137129.2 Ų129.273%0.73369%0.686SS**THydrogen-bonded Turntrans-81.2-9.2-175.2-75.2-34.5000115
905D55.8Low57.7Low152 Ų152129.9 Ų129.981%0.81369%0.687SS**THydrogen-bonded Turntrans-93.2-3.8-171.5-95.5-21000115.1
906D51.1Low55.2Low161 Ų161131.9 Ų131.986%0.86170%0.696SS**SBendtrans-104.72.8-172-104.5-23.8000115
907E41.6Very low53.1Low189 Ų189130.9 Ų130.988%0.88370%0.7SS**  trans-116.958.5-175.5-90.1-79.116000113.5
908A41.9Very low50.6Low87 Ų87133.3 Ų133.372%0.71972%0.716SS**  trans-149.494175.300000116.6
909K38.2Very low48.6Very low205 Ų205139.2 Ų139.289%0.89173%0.732SS**  trans80.498.9152.6-53.5176.5-178176.60120.8
910E37.4Very low46.6Very low173 Ų173139.9 Ų139.981%0.80874%0.736SS**  -146.3156.8125.6-99.6-156.7142.900106.8
911N39Very low44.9Very low95 Ų95142.1 Ų142.151%0.50875%0.745SS.*  cis-142.3178.5-4-132.2-37.8000106.1
912V41.6Very low43.1Very low127 Ų127136.6 Ų136.677%0.7775%0.748SS**  cis-156135.340.3170.70000105.1
913Q37.7Very low42Very low144 Ų144143.3 Ų143.367%0.67376%0.762SS**  cis112.2111.422.5179.8-168.197.100111.8
914T38.7Very low41.1Very low124 Ų124146.2 Ų146.276%0.76177%0.768SS**  trans-161.2115.514829.80000107.8
915K33.2Very low40.1Very low156 Ų156149.3 Ų149.368%0.67878%0.775SS**  68.3131.3104.8-67.4-173.4158.6-73.40114.8
916E36.1Very low39.1Very low143 Ų143146.4 Ų146.467%0.66877%0.772SS**  cis-164.3163-7.4-124.2144.1-158.100107.3
917T39Very low38.4Very low114 Ų114148.7 Ų148.770%0.69977%0.774SS**  -169.1179.365.238.50000110.5
918D35.1Very low38Very low145 Ų145151.1 Ų151.178%0.77578%0.775SS**  trans31.1139.4139.2-57.8-24.9000122.1
919E43.1Very low37.8Very low191 Ų191158.7 Ų158.789%0.89379%0.785SS**  cis-132.5-170.78.8-87.2-145.511000113.4
920N41.1Very low37.8Very low147 Ų147158.4 Ų158.479%0.78678%0.784SS**  trans-117.3-156-156.3-152.62.8000114.3
921P43.6Very low37.8Very low107 Ų107158.6 Ų158.670%0.69579%0.789SS**  -121.7165.5-114.739.5-24000119.1
922G34.9Very low37.6Very low75 Ų75163.6 Ų163.677%0.77381%0.806SS**  trans-134.213.7-169.200000122.1
923K36.4Very low37.3Very low194 Ų194168.9 Ų168.984%0.84381%0.813SS**  trans37.2111.7162.8-61.4170.6-179.3165.70120.8
924K39.5Very low37.3Very low204 Ų204167.3 Ų167.389%0.88782%0.818SS**  173.7132.3117.3-95.1157.8-173.7171.90116.5
925K37.6Very low37.2Very low203 Ų203165.8 Ų165.888%0.88382%0.818SS**  trans10.9156.8146.3-61.2-180179.1-178.50122.1
926A34.3Very low37.3Very low91 Ų91163.9 Ų163.975%0.75282%0.824SS**  cis167.5128.2-3000000110.9
927K36Very low37.6Very low209 Ų209164.9 Ų164.991%0.90983%0.832SS**  trans-177114.9151.5-116.9178.4-178.9177.90114.5
928R33.8Very low37.4Very low239 Ų239164.7 Ų164.790%0.90283%0.831SS**  trans172.6156.5130.4-99-178.291.4-1686.7112.6
929R37.9Very low37.6Very low246 Ų246165.9 Ų165.993%0.92884%0.836SS**  trans93.6102.5169-63.3-174.4170.6-176-2.5117.3
930K37.6Very low37.1Very low200 Ų200163.3 Ų163.387%0.8783%0.833SS**  trans-157.7102.7149.7-170.8176.2-173.4178.60110.4
931L38.3Very low36.7Very low176 Ų176159.6 Ų159.692%0.92183%0.829SS**  trans-173.6132.3146.7-131.371.8000111.1
932K34.2Very low36.1Very low200 Ų200164.5 Ų164.587%0.8784%0.84SS**  trans-162.6151159.7-148.7172.3-175.4172.90109.2
933R35.8Very low36Very low238 Ų238173.4 Ų173.490%0.89885%0.85SS**  trans7697.4167.5-67.3-174.2147154.6-4.7120.8
934S36.9Very low36.1Very low112 Ų112173.5 Ų173.578%0.78385%0.85SS**  -156.8123.9112.249.70000106.3
935A37.2Very low35.9Very low92 Ų92175.2 Ų175.276%0.7685%0.851SS**  71.8136.150.900000113.7
936S34.6Very low35.7Very low115 Ų115172.6 Ų172.680%0.80485%0.846SS**  cis-176.5133.7-26.5-1050000109.8
937I42.3Very low35.5Very low164 Ų164172 Ų17284%0.84185%0.849SS**  trans-152.9114.9161-98.8154.9000105.8
938T35.6Very low35.2Very low110 Ų110165.3 Ų165.368%0.67584%0.839SS**  8682.663.9-55.80000113.6
939I37.9Very low35.4Very low171 Ų171160.2 Ų160.288%0.87783%0.828SS**  trans-131.1106.9142.8-62.2-177.3000107.4
940T32.9Very low35.3Very low137 Ų137151.2 Ų151.284%0.8481%0.812SS**  trans-106.4101.217744.80000110.1
941G34.1Very low35.8Very low68 Ų68146.7 Ų146.770%0.70181%0.806SS**  trans-149.464-172.100000114.4
942K30.9Very low36.4Very low210 Ų210140.3 Ų140.391%0.91378%0.783SS**  trans45.285.5168.6-64.7179.4179.6174.40116.9
943R32.8Very low37.9Very low262 Ų262135.6 Ų135.699%0.98977%0.767SS**  trans-11496.2142-89.1-173.8169.8173.2-3.6109.7
944K36.7Very low39.4Very low197 Ų197127.1 Ų127.186%0.85774%0.742SS**  trans-76.6145.8166.5-171.3177.5180-176.60107.8L946K944-L946 PolarHBondContact O-N 3.3Å
945R36Very low40.9Very low239 Ų239123.6 Ų123.690%0.90272%0.719SS**  trans-54.5132.8-177.9-59.2-179.6-178.1-169.4-0.5111.7
946L34.7Very low42.8Very low149 Ų149123.9 Ų123.978%0.7871%0.708SS**  trans-131120.7145.4-83.797.1000108.2K944K944-L946 PolarHBondContact O-N 3.3Å
947G28.6Very low45.2Very low78 Ų78120.9 Ų120.980%0.80468%0.681SS**  trans-86.9148.7147.200000107.6
948G31Very low47.1Very low69 Ų69113.1 Ų113.171%0.71164%0.642SS**  trans9477.6-169.400000111.9
949I37.3Very low49.4Very low131 Ų131108.6 Ų108.667%0.67262%0.615SS**  trans-92.3124.9161.8-64.3176.9000106.5D953I949-D953 HydrophobicContact CG2-CB 3.64Å
950G35.3Very low51.7Low57 Ų57105.3 Ų105.359%0.58859%0.592SS**  trans-83.5168.4177.200000112.7G952 D953G950-G952 PolarHBondContact O-N 2.86Å; G950-D953 PolarHBondContact O-N 3.24Å
951S47.9Very low54.5Low106 Ų106100.4 Ų100.474%0.74156%0.558SS**THydrogen-bonded Turntrans-52.5-24.1-173-1560000115.9D953 V954S951-D953 VanDerWaalsContact C-N 3.34Å; S951-D953 PolarHBondContact O-N 2.95Å; S951-V954 PolarHBondContact O-N 3.43Å
952G50.6Low57.1Low42 Ų4297.6 Ų97.643%0.43353%0.527SS..Hα-helixtrans-63.9-29-175.100000115.6G950 V954 A955 N956G950-G952 PolarHBondContact O-N 2.86Å; G952-V954 VanDerWaalsContact C-N 3.29Å; G952-V954 PolarHBondContact O-N 3.5Å; G952-A955 PolarHBondContact O-N 3.13Å; G952-N956 WeakPolarHBondContact O-CB 3.44Å; G952-N956 PolarHBondContact O-N 3.31Å; G952-N956 VanDerWaalsContact O-N 3.07Å; G952-N956 PolarHBondContact O-ND2 3.11Å
953D65.7Low59.9Low100 Ų10090.5 Ų90.554%0.53550%0.495SS..Hα-helixtrans-66.8-33.2-178.6-122.59.8000111.7I949 G950 S951 E957I949-D953 HydrophobicContact CG2-CB 3.64Å; G950-D953 PolarHBondContact O-N 3.24Å; S951-D953 VanDerWaalsContact C-N 3.34Å; S951-D953 PolarHBondContact O-N 2.95Å; D953-E957 WeakPolarHBondContact O-CB 3.37Å; D953-E957 PolarHBondContact O-N 3.18Å; D953-E957 VanDerWaalsContact O-N 3.13Å
954V68Low62.7Low61 Ų6183.1 Ų83.137%0.3747%0.472SS..Hα-helixtrans-71.1-44.9177.3-178.80000110.9M885 S951 G952 N956 E957 V958M885-V954 HydrophobicContact CE-CG1 3.94Å; S951-V954 PolarHBondContact O-N 3.43Å; G952-V954 VanDerWaalsContact C-N 3.29Å; G952-V954 PolarHBondContact O-N 3.5Å; V954-N956 VanDerWaalsContact C-N 3.35Å; V954-N956 PolarHBondContact O-N 2.78Å; V954-E957 PolarHBondContact O-N 2.89Å; V954-V958 WeakPolarHBondContact O-CG2 3.42Å; V954-V958 PolarHBondContact O-N 2.7Å
955A68.6Low65.2Low38 Ų3875.7 Ų75.731%0.31444%0.441SS..Hα-helixtrans-62-42.5178.100000111.9G952 V958 A959G952-A955 PolarHBondContact O-N 3.13Å; A955-V958 PolarHBondContact O-N 3.26Å; A955-A959 WeakPolarHBondContact O-CB 3.18Å; A955-A959 PolarHBondContact O-N 3Å
956N77.8Confident67.9Low97 Ų9764.4 Ų64.452%0.51940%0.398SS..Hα-helixtrans-63.4-41176.4-69.7-25.5000112.6G952 V954 A959 R960G952-N956 WeakPolarHBondContact O-CB 3.44Å; G952-N956 PolarHBondContact O-N 3.31Å; G952-N956 VanDerWaalsContact O-N 3.07Å; G952-N956 PolarHBondContact O-ND2 3.11Å; V954-N956 VanDerWaalsContact C-N 3.35Å; V954-N956 PolarHBondContact O-N 2.78Å; N956-A959 PolarHBondContact O-N 2.73Å; N956-R960 WeakPolarHBondContact O-CB 3.38Å; N956-R960 PolarHBondContact O-N 2.82Å
957E83.6Confident70.5Confident52 Ų5261.9 Ų61.924%0.24338%0.382CS..Hα-helixtrans-68.1-38.3177.3172.460.3-174.700112.2M885 D953 V954 R960 R961M885-E957 HydrophobicContact CE-CB 4.07Å; M885-E957 HydrophobicContact CE-CG 3.65Å; M885-E957 HydrophobicContact SD-CG 4.34Å; D953-E957 WeakPolarHBondContact O-CB 3.37Å; D953-E957 PolarHBondContact O-N 3.18Å; D953-E957 VanDerWaalsContact O-N 3.13Å; V954-E957 PolarHBondContact O-N 2.89Å; E957-R960 VanDerWaalsContact CD-NH2 3.26Å; E957-R960 PolarHBondContact O-N 3.23Å; E957-R960 IonicContact OE1-CZ 2.65Å; E957-R960 IonicContact OE1-NE 2.66Å; E957-R960 IonicContact OE1-NH2 3.98Å; E957-R960 PolarHBondContact OE1-NH2 2.94Å; E957-R960 IonicContact OE2-CZ 3.45Å; E957-R960 IonicContact OE2-NE 3.49Å; E957-R960 PolarHBondContact OE2-NE 2.8Å; E957-R960 IonicContact OE2-NH2 2.78Å; E957-R960 PolarHBondContact OE2-NH2 2.94Å; E957-R961 WeakPolarHBondContact O-CG 3.39Å; E957-R961 PolarHBondContact O-N 2.97Å; E957-R961 IonicContact OE1-CZ 3.96Å; E957-R961 VanDerWaalsContact OE1-CZ 3.31Å; E957-R961 IonicContact OE1-NE 3.2Å; E957-R961 PolarHBondContact OE1-NE 3.44Å; E957-R961 IonicContact OE1-NH2 3.76Å; E957-R961 PolarHBondContact OE1-NH2 3.5Å
958V82.4Confident73.5Confident2 Ų265.2 Ų65.21%0.01238%0.375CS..Hα-helixtrans-60.8-51.4170.2176.40000110P863 I881 F882 M885 V954 A955 R960 R961 V962P863-V958 HydrophobicContact CB-CG1 4.31Å; P863-V958 HydrophobicContact CG-CB 4.2Å; P863-V958 HydrophobicContact CG-CG1 3.42Å; P863-V958 VanDerWaalsContact CG-CG1 3.42Å; I881-V958 HydrophobicContact CG2-CG1 4.47Å; F882-V958 HydrophobicContact CD1-CG2 4.16Å; F882-V958 HydrophobicContact CE1-CB 4.38Å; F882-V958 HydrophobicContact CE1-CG1 3.62Å; F882-V958 HydrophobicContact CE1-CG2 3.76Å; F882-V958 HydrophobicContact CZ-CG1 4.37Å; M885-V958 HydrophobicContact CE-CG2 3.96Å; M885-V958 HydrophobicContact SD-CG2 3.54Å; M885-V958 VanDerWaalsContact SD-CG2 3.54Å; V954-V958 WeakPolarHBondContact O-CG2 3.42Å; V954-V958 PolarHBondContact O-N 2.7Å; A955-V958 PolarHBondContact O-N 3.26Å; V958-R960 VanDerWaalsContact C-N 3.26Å; V958-R960 PolarHBondContact O-N 3.03Å; V958-R961 PolarHBondContact O-N 2.84Å; V958-R961 VanDerWaalsContact O-N 3.1Å; V958-V962 HydrophobicContact CG1-CG2 4.02Å; V958-V962 WeakPolarHBondContact O-CG2 3.32Å; V958-V962 PolarHBondContact O-N 2.7Å
959A83.8Confident76.3Confident14 Ų1465.6 Ų65.612%0.11636%0.358CS..Hα-helixtrans-56.4-42.5-178.900000111.3I861 A955 N956 V962 Y963I861-A959 WeakPolarHBondContact O-CB 3.32Å; A955-A959 WeakPolarHBondContact O-CB 3.18Å; A955-A959 PolarHBondContact O-N 3Å; N956-A959 PolarHBondContact O-N 2.73Å; A959-V962 PolarHBondContact O-N 3.29Å; A959-Y963 WeakPolarHBondContact O-CD2 3.49Å; A959-Y963 PolarHBondContact O-N 3.18Å
960R88Confident78.9Confident103 Ų10362 Ų6239%0.38934%0.338SS..Hα-helixtrans-58.2-50.7173.6-170.5-168.465.671.38.5112.4N956 E957 V958 V962 Y963 E964N956-R960 WeakPolarHBondContact O-CB 3.38Å; N956-R960 PolarHBondContact O-N 2.82Å; E957-R960 VanDerWaalsContact CD-NH2 3.26Å; E957-R960 PolarHBondContact O-N 3.23Å; E957-R960 IonicContact OE1-CZ 2.65Å; E957-R960 IonicContact OE1-NE 2.66Å; E957-R960 IonicContact OE1-NH2 3.98Å; E957-R960 PolarHBondContact OE1-NH2 2.94Å; E957-R960 IonicContact OE2-CZ 3.45Å; E957-R960 IonicContact OE2-NE 3.49Å; E957-R960 PolarHBondContact OE2-NE 2.8Å; E957-R960 IonicContact OE2-NH2 2.78Å; E957-R960 PolarHBondContact OE2-NH2 2.94Å; V958-R960 VanDerWaalsContact C-N 3.26Å; V958-R960 PolarHBondContact O-N 3.03Å; R960-V962 VanDerWaalsContact C-N 3.33Å; R960-V962 PolarHBondContact O-N 3.47Å; R960-Y963 PolarHBondContact O-N 3.46Å; R960-E964 IonicContact CZ-OE1 2.8Å; R960-E964 IonicContact CZ-OE2 2.67Å; R960-E964 IonicContact NH1-OE1 2.7Å; R960-E964 PolarHBondContact NH1-OE1 3.47Å; R960-E964 IonicContact NH1-OE2 2.93Å; R960-E964 PolarHBondContact NH1-OE2 3.05Å; R960-E964 WeakPolarHBondContact O-CG 3.39Å; R960-E964 PolarHBondContact O-N 2.69Å
961R89.8Confident81.6Confident34 Ų3465 Ų6513%0.12834%0.336CS..Hα-helixtrans-62.4-39.4178.1-70.5-175.8-169.9-150.65.8112.1I881 E884 E888 E957 V958 E964 I965I881-R961 HydrophobicContact CD1-CB 4.21Å; I881-R961 HydrophobicContact CG1-CB 4.44Å; I881-R961 HydrophobicContact CG2-CB 4.18Å; E884-R961 IonicContact OE2-NH1 3.33Å; E888-R961 VanDerWaalsContact CD-NH2 3.32Å; E888-R961 IonicContact OE1-CZ 2.75Å; E888-R961 VanDerWaalsContact OE1-CZ 3.31Å; E888-R961 IonicContact OE1-NH1 2.68Å; E888-R961 PolarHBondContact OE1-NH1 2.92Å; E888-R961 IonicContact OE1-NH2 2.61Å; E888-R961 PolarHBondContact OE1-NH2 3.44Å; E888-R961 IonicContact OE2-CZ 3.9Å; E888-R961 IonicContact OE2-NH1 2.74Å; E888-R961 IonicContact OE2-NH2 2.7Å; E888-R961 PolarHBondContact OE2-NH2 3.05Å; E957-R961 WeakPolarHBondContact O-CG 3.39Å; E957-R961 PolarHBondContact O-N 2.97Å; E957-R961 IonicContact OE1-CZ 3.96Å; E957-R961 VanDerWaalsContact OE1-CZ 3.31Å; E957-R961 IonicContact OE1-NE 3.2Å; E957-R961 PolarHBondContact OE1-NE 3.44Å; E957-R961 IonicContact OE1-NH2 3.76Å; E957-R961 PolarHBondContact OE1-NH2 3.5Å; V958-R961 PolarHBondContact O-N 2.84Å; V958-R961 VanDerWaalsContact O-N 3.1Å; R961-E964 PolarHBondContact O-N 3.14Å; R961-I965 WeakPolarHBondContact O-CG1 3.15Å; R961-I965 PolarHBondContact O-N 2.83Å; R961-I965 VanDerWaalsContact O-N 3.15Å
962V89.1Confident83.7Confident9 Ų961.4 Ų61.46%0.05531%0.309CS..Hα-helixtrans-61.7-51175.3170.50000110.5L878 I881 V958 A959 R960 E964 I965 M966L878-V962 HydrophobicContact CD2-CG2 3.63Å; I881-V962 HydrophobicContact CD1-CG2 3.72Å; V958-V962 HydrophobicContact CG1-CG2 4.02Å; V958-V962 WeakPolarHBondContact O-CG2 3.32Å; V958-V962 PolarHBondContact O-N 2.7Å; A959-V962 PolarHBondContact O-N 3.29Å; R960-V962 VanDerWaalsContact C-N 3.33Å; R960-V962 PolarHBondContact O-N 3.47Å; V962-E964 VanDerWaalsContact C-N 3.32Å; V962-E964 PolarHBondContact O-N 3.03Å; V962-I965 PolarHBondContact O-N 3.48Å; V962-I965 VanDerWaalsContact O-N 3.12Å; V962-M966 HydrophobicContact CG1-CG 4.21Å; V962-M966 HydrophobicContact CG1-SD 3.67Å; V962-M966 VanDerWaalsContact O-CG 3.28Å; V962-M966 WeakPolarHBondContact O-CG 3.41Å; V962-M966 PolarHBondContact O-N 3.23Å
963Y90Very high85.8Confident60 Ų6059.9 Ų59.924%0.23529%0.29CS..Hα-helixtrans-59.5-37.7177.5-92-74.8000113.3A855 M860 A959 R960 I965 M966 E967A855-Y963 HydrophobicContact CB-CE1 3.92Å; A855-Y963 PolarHBondContact O-OH 2.87Å; M860-Y963 WeakPolarHBondContact O-CE2 3.44Å; M860-Y963 PolarHBondContact O-OH 3.31Å; A959-Y963 WeakPolarHBondContact O-CD2 3.49Å; A959-Y963 PolarHBondContact O-N 3.18Å; R960-Y963 PolarHBondContact O-N 3.46Å; Y963-I965 VanDerWaalsContact C-N 3.35Å; Y963-I965 PolarHBondContact O-N 2.7Å; Y963-M966 PolarHBondContact O-N 2.82Å; Y963-E967 WeakPolarHBondContact O-CB 3.38Å; Y963-E967 PolarHBondContact O-N 2.88Å
964E90.9Very high87.3Confident108 Ų10855.5 Ų55.551%0.50527%0.267SS..Hα-helixtrans-65.2-35.7175.8-75.8173.2179.200112.8R960 R961 V962 K968R960-E964 IonicContact CZ-OE1 2.8Å; R960-E964 IonicContact CZ-OE2 2.67Å; R960-E964 IonicContact NH1-OE1 2.7Å; R960-E964 PolarHBondContact NH1-OE1 3.47Å; R960-E964 IonicContact NH1-OE2 2.93Å; R960-E964 PolarHBondContact NH1-OE2 3.05Å; R960-E964 WeakPolarHBondContact O-CG 3.39Å; R960-E964 PolarHBondContact O-N 2.69Å; R961-E964 PolarHBondContact O-N 3.14Å; V962-E964 VanDerWaalsContact C-N 3.32Å; V962-E964 PolarHBondContact O-N 3.03Å; E964-K968 VanDerWaalsContact O-CB 3.26Å; E964-K968 WeakPolarHBondContact O-CB 3.49Å; E964-K968 PolarHBondContact O-N 3.09Å
965I90.8Very high88.7Confident40 Ų4052.7 Ų52.721%0.20525%0.249CC..Hα-helixtrans-76.3-36173.8-61.4179.1000111F873 W874 T877 I881 R961 V962 Y963 K968 H969F873-I965 HydrophobicContact CE1-CG2 3.98Å; F873-I965 HydrophobicContact CZ-CG2 4.15Å; W874-I965 HydrophobicContact CH2-CG2 4Å; W874-I965 HydrophobicContact CZ3-CB 4.36Å; W874-I965 HydrophobicContact CZ3-CG2 3.96Å; T877-I965 HydrophobicContact CG2-CD1 3.66Å; T877-I965 HydrophobicContact CG2-CG2 3.99Å; I881-I965 HydrophobicContact CD1-CD1 4.1Å; I881-I965 HydrophobicContact CG1-CD1 4.28Å; R961-I965 WeakPolarHBondContact O-CG1 3.15Å; R961-I965 PolarHBondContact O-N 2.83Å; R961-I965 VanDerWaalsContact O-N 3.15Å; V962-I965 PolarHBondContact O-N 3.48Å; V962-I965 VanDerWaalsContact O-N 3.12Å; Y963-I965 VanDerWaalsContact C-N 3.35Å; Y963-I965 PolarHBondContact O-N 2.7Å; I965-K968 PolarHBondContact O-N 2.67Å; I965-H969 PolarHBondContact O-CD2 3.32Å; I965-H969 PolarHBondContact O-N 3.39Å; I965-H969 VanDerWaalsContact O-N 3.09Å
966M91.2Very high90.1Very high2 Ų250.9 Ų50.91%0.0123%0.234CC..Hα-helixtrans-60.4-53.8174.2-69.6174.183.900111.2I851 C852 A855 L866 W874 V962 Y963 K968 H969 K970I851-M966 HydrophobicContact CB-CE 4.32Å; I851-M966 HydrophobicContact CD1-CE 4.17Å; I851-M966 HydrophobicContact CG1-CE 3.77Å; I851-M966 HydrophobicContact CG2-CE 4.01Å; I851-M966 WeakPolarHBondContact O-CE 3.17Å; C852-M966 HydrophobicContact CB-CB 4.35Å; A855-M966 HydrophobicContact CB-CE 3.62Å; L866-M966 HydrophobicContact CD1-CE 4.32Å; W874-M966 HydrophobicContact CH2-CB 4.12Å; W874-M966 HydrophobicContact CH2-CG 3.39Å; W874-M966 HydrophobicContact CZ2-CG 3.96Å; W874-M966 HydrophobicContact CZ3-CG 3.7Å; V962-M966 HydrophobicContact CG1-CG 4.21Å; V962-M966 HydrophobicContact CG1-SD 3.67Å; V962-M966 VanDerWaalsContact O-CG 3.28Å; V962-M966 WeakPolarHBondContact O-CG 3.41Å; V962-M966 PolarHBondContact O-N 3.23Å; Y963-M966 PolarHBondContact O-N 2.82Å; M966-K968 VanDerWaalsContact C-N 3.28Å; M966-K968 PolarHBondContact O-N 3.43Å; M966-H969 PolarHBondContact O-N 2.9Å; M966-H969 VanDerWaalsContact O-N 3.16Å; M966-K970 WeakPolarHBondContact O-CA 3.38Å; M966-K970 VanDerWaalsContact O-CB 3.27Å; M966-K970 WeakPolarHBondContact O-CB 3.36Å; M966-K970 PolarHBondContact O-N 2.74Å
967E91.1Very high91.1Very high96 Ų9648.6 Ų48.645%0.44922%0.218SC..Hα-helixtrans-58.4-39.8178.7177.258-162.400112.2C852 Y963 H969 K970C852-E967 PolarHBondContact SG-OE2 3.12Å; Y963-E967 WeakPolarHBondContact O-CB 3.38Å; Y963-E967 PolarHBondContact O-N 2.88Å; E967-H969 PolarHBondContact O-N 3.06Å; E967-K970 WeakPolarHBondContact OE1-CE 3.3Å; E967-K970 IonicContact OE1-NZ 3.38Å; E967-K970 PolarHBondContact OE1-NZ 3.11Å; E967-K970 WeakPolarHBondContact OE2-CD 3.28Å; E967-K970 WeakPolarHBondContact OE2-CE 3.44Å; E967-K970 IonicContact OE2-NZ 3.35Å; E967-K970 PolarHBondContact OE2-NZ 3.48Å
968K91.6Very high91.8Very high149 Ų14946.1 Ų46.165%0.64821%0.207SC*.Hα-helixtrans-65.7-31.5178.2177.7-176.1170.7-170.80114E964 I965 M966E964-K968 VanDerWaalsContact O-CB 3.26Å; E964-K968 WeakPolarHBondContact O-CB 3.49Å; E964-K968 PolarHBondContact O-N 3.09Å; I965-K968 PolarHBondContact O-N 2.67Å; M966-K968 VanDerWaalsContact C-N 3.28Å; M966-K968 PolarHBondContact O-N 3.43Å
969H88.5Confident92.4Very high77 Ų7747.6 Ų47.636%0.35621%0.214SC..Hα-helixtrans-118.94.7-172.9-68.3-81.9000114.6I965 M966 E967 E971 N972 F973I965-H969 PolarHBondContact O-CD2 3.32Å; I965-H969 PolarHBondContact O-N 3.39Å; I965-H969 VanDerWaalsContact O-N 3.09Å; M966-H969 PolarHBondContact O-N 2.9Å; M966-H969 VanDerWaalsContact O-N 3.16Å; E967-H969 PolarHBondContact O-N 3.06Å; H969-E971 VanDerWaalsContact C-N 3.31Å; H969-E971 PolarHBondContact O-N 2.82Å; H969-E971 VanDerWaalsContact O-N 3.12Å; H969-N972 WeakPolarHBondContact O-CB 3.41Å; H969-N972 PolarHBondContact O-N 2.87Å; H969-F973 HydrophobicContact CB-CE2 4.09Å
970K92.2Very high92.8Very high55 Ų5549.7 Ų49.724%0.23923%0.226CC..G310 helixtrans-50.5-40.6-169.263.7-176.2166.3-1740115.6D850 C852 M966 E967 N972 F973D850-K970 HydrophobicContact CB-CB 3.91Å; D850-K970 HydrophobicContact CB-CG 4.34Å; D850-K970 WeakPolarHBondContact OD1-CB 3.43Å; C852-K970 HydrophobicContact CB-CB 3.87Å; C852-K970 HydrophobicContact CB-CD 3.99Å; M966-K970 WeakPolarHBondContact O-CA 3.38Å; M966-K970 VanDerWaalsContact O-CB 3.27Å; M966-K970 WeakPolarHBondContact O-CB 3.36Å; M966-K970 PolarHBondContact O-N 2.74Å; E967-K970 WeakPolarHBondContact OE1-CE 3.3Å; E967-K970 IonicContact OE1-NZ 3.38Å; E967-K970 PolarHBondContact OE1-NZ 3.11Å; E967-K970 WeakPolarHBondContact OE2-CD 3.28Å; E967-K970 WeakPolarHBondContact OE2-CE 3.44Å; E967-K970 IonicContact OE2-NZ 3.35Å; E967-K970 PolarHBondContact OE2-NZ 3.48Å; K970-N972 PolarHBondContact O-N 2.75Å; K970-F973 PolarHBondContact O-N 3.39Å
971E91.2Very high92.7Very high119 Ų11952.1 Ų52.156%0.55624%0.242SC*.G310 helixtrans-60.2-18.6-178.9-61.3-170.5141.700113.2Q829 H969Q829-E971 VanDerWaalsContact CG-O 3.3Å; Q829-E971 WeakPolarHBondContact CG-O 3.2Å; H969-E971 VanDerWaalsContact C-N 3.31Å; H969-E971 PolarHBondContact O-N 2.82Å; H969-E971 VanDerWaalsContact O-N 3.12Å
972N92.4Very high92.7Very high32 Ų3257.4 Ų57.417%0.17127%0.273CS..G310 helixtrans-82.7-13.4176.2-60.5-35.5000114.1W801 A802 Q829 H969 K970W801-N972 CarbonylContact C-O 3.57Å; W801-N972 WeakPolarHBondContact CA-O 3.49Å; A802-N972 PolarHBondContact N-O 3.13Å; Q829-N972 PolarHBondContact NE2-OD1 3.01Å; H969-N972 WeakPolarHBondContact O-CB 3.41Å; H969-N972 PolarHBondContact O-N 2.87Å; K970-N972 PolarHBondContact O-N 2.75Å
973F95.6Very high92.8Very high9 Ų958.9 Ų58.94%0.03928%0.283CS..EExtended strand (participates in β ladder)trans-123.9106.3-169.8-63.9-78.9000111.5W801 D850 I851 F873 W874 H969 K970W801-F973 HydrophobicContact CB-CD1 4.14Å; W801-F973 HydrophobicContact CB-CE1 3.98Å; W801-F973 AromaticContact CD1-CD1 3.82Å; W801-F973 AromaticContact CD1-CE1 3.23Å; W801-F973 AromaticContact CD1-CZ 3.53Å; W801-F973 HydrophobicContact CD2-CE1 4.09Å; W801-F973 HydrophobicContact CG-CD1 4.1Å; W801-F973 AromaticContact CG-CE1 3.52Å; W801-F973 HydrophobicContact CG-CE1 3.52Å; W801-F973 HydrophobicContact CG-CZ 4.19Å; W801-F973 AromaticContact NE1-CE1 3.68Å; W801-F973 AromaticContact NE1-CZ 3.53Å; D850-F973 WeakPolarHBondContact CA-O 3.17Å; I851-F973 HydrophobicContact CB-CB 3.72Å; I851-F973 HydrophobicContact CD1-CB 4.32Å; I851-F973 HydrophobicContact CG2-CB 3.69Å; I851-F973 HydrophobicContact CG2-CD2 4.26Å; I851-F973 HydrophobicContact CG2-CG 4.23Å; I851-F973 PolarHBondContact N-O 3.32Å; I851-F973 VanDerWaalsContact N-O 3.08Å; F873-F973 HydrophobicContact CB-CE1 3.82Å; F873-F973 HydrophobicContact CB-CZ 3.57Å; F873-F973 HydrophobicContact CD1-CE1 4.3Å; F873-F973 AromaticContact CD1-CE2 3.97Å; F873-F973 HydrophobicContact CD1-CE2 3.97Å; F873-F973 AromaticContact CD1-CZ 3.42Å; F873-F973 HydrophobicContact CD1-CZ 3.42Å; F873-F973 VanDerWaalsContact CD1-CZ 3.42Å; F873-F973 HydrophobicContact CD2-CZ 4.49Å; F873-F973 HydrophobicContact CE1-CE2 4.34Å; F873-F973 HydrophobicContact CE1-CZ 4.2Å; F873-F973 HydrophobicContact CG-CE1 4.34Å; F873-F973 HydrophobicContact CG-CE2 4.48Å; F873-F973 AromaticContact CG-CZ 3.6Å; F873-F973 HydrophobicContact CG-CZ 3.6Å; W874-F973 AromaticContact CZ2-CD2 3.81Å; W874-F973 HydrophobicContact CZ2-CD2 3.81Å; W874-F973 AromaticContact CZ2-CE2 3.66Å; W874-F973 HydrophobicContact CZ2-CE2 3.66Å; W874-F973 HydrophobicContact CZ2-CG 4.4Å; W874-F973 HydrophobicContact CZ2-CZ 4.13Å; W874-F973 AromaticContact NE1-CD1 3.49Å; W874-F973 AromaticContact NE1-CE1 3.44Å; W874-F973 AromaticContact NE1-CE2 3.98Å; W874-F973 AromaticContact NE1-CG 3.81Å; W874-F973 AromaticContact NE1-CZ 3.71Å; H969-F973 HydrophobicContact CB-CE2 4.09Å; K970-F973 PolarHBondContact O-N 3.39Å
974F97.6Very high92.7Very high9 Ų958 Ų584%0.03928%0.284CS..EExtended strand (participates in β ladder)trans-93.8121.7178.4-63.7-88.3000110.8H799 I800 A802 Q829 Q833 L836 Y848 K849 I976H799-F974 WeakPolarHBondContact CA-O 3.27Å; I800-F974 HydrophobicContact CB-CB 4.32Å; I800-F974 PolarHBondContact N-O 3.4Å; I800-F974 VanDerWaalsContact N-O 3.12Å; I800-F974 PolarHBondContact O-N 3.48Å; A802-F974 HydrophobicContact CB-CD2 4.27Å; A802-F974 HydrophobicContact CB-CE2 3.82Å; Q829-F974 HydrophobicContact CB-CZ 4.27Å; Q833-F974 HydrophobicContact CG-CE1 3.72Å; Q833-F974 HydrophobicContact CG-CZ 3.98Å; L836-F974 HydrophobicContact CD1-CB 4.35Å; L836-F974 HydrophobicContact CD1-CD1 3.81Å; L836-F974 HydrophobicContact CD1-CE1 4.42Å; L836-F974 HydrophobicContact CD1-CG 4.18Å; Y848-F974 HydrophobicContact CD2-CD1 4.06Å; Y848-F974 HydrophobicContact CD2-CE1 4.47Å; Y848-F974 HydrophobicContact CE2-CD1 4.48Å; Y848-F974 HydrophobicContact CE2-CE1 4.44Å; K849-F974 WeakPolarHBondContact O-CA 3.4Å; F974-I976 HydrophobicContact CB-CD1 4.35Å; F974-I976 HydrophobicContact CB-CG1 4.23Å
975V97.1Very high92.6Very high1 Ų157.8 Ų57.81%0.00630%0.301CS..EExtended strand (participates in β ladder)trans-100.8123.6164.6-173.80000108H799 Y848 K849 I851 D854H799-V975 WeakPolarHBondContact NE2-CG1 3.27Å; Y848-V975 CarbonylContact C-O 3.58Å; Y848-V975 VanDerWaalsContact CA-O 3.28Å; Y848-V975 WeakPolarHBondContact CA-O 3.42Å; K849-V975 PolarHBondContact N-O 3.45Å; K849-V975 PolarHBondContact O-N 3.28Å; I851-V975 HydrophobicContact CB-CG2 4.31Å; I851-V975 HydrophobicContact CG1-CG2 4.03Å; D854-V975 HydrophobicContact CB-CB 4.19Å; D854-V975 HydrophobicContact CB-CG1 4.41Å; D854-V975 HydrophobicContact CB-CG2 4.22Å
976I98.3Very high92.7Very high0 Ų060 Ų600%033%0.326CS..EExtended strand (participates in β ladder)trans-123.5116.4-167.9-55.3151.8000108.3M797 A798 I800 L836 V845 F974 L978M797-I976 CarbonylContact C-O 3.53Å; M797-I976 VanDerWaalsContact CA-O 3.24Å; M797-I976 WeakPolarHBondContact CA-O 3.47Å; A798-I976 HydrophobicContact CB-CB 4.14Å; A798-I976 HydrophobicContact CB-CD1 4.16Å; A798-I976 PolarHBondContact N-O 2.94Å; A798-I976 WeakPolarHBondContact O-CB 3.42Å; A798-I976 PolarHBondContact O-N 2.86Å; I800-I976 HydrophobicContact CD1-CD1 3.73Å; I800-I976 HydrophobicContact CG1-CD1 3.84Å; L836-I976 HydrophobicContact CD1-CD1 4.14Å; L836-I976 HydrophobicContact CD1-CG1 4.02Å; L836-I976 HydrophobicContact CD2-CD1 3.65Å; L836-I976 HydrophobicContact CD2-CG1 3.82Å; L836-I976 HydrophobicContact CD2-CG2 3.94Å; V845-I976 HydrophobicContact CB-CG2 4.3Å; V845-I976 HydrophobicContact CG1-CG2 3.75Å; V845-I976 HydrophobicContact CG2-CG2 3.51Å; F974-I976 HydrophobicContact CB-CD1 4.35Å; F974-I976 HydrophobicContact CB-CG1 4.23Å; I976-L978 HydrophobicContact CG2-CD2 3.99Å
977R97.6Very high92.9Very high49 Ų4961.5 Ų61.519%0.18533%0.333CS..EExtended strand (participates in β ladder)trans-96.2125.3-174.8-53-166.5-74.1-150.616.6110.4M797 V846 D847 K849 D854 E857M797-R977 HydrophobicContact CG-CG 4.33Å; V846-R977 WeakPolarHBondContact CB-O 3.3Å; V846-R977 PolarHBondContact N-O 3.38Å; D847-R977 PolarHBondContact O-N 3.29Å; D847-R977 WeakPolarHBondContact OD1-CB 3.43Å; D847-R977 IonicContact OD1-CZ 3.99Å; D847-R977 IonicContact OD1-NE 2.71Å; D847-R977 PolarHBondContact OD1-NE 2.92Å; D847-R977 IonicContact OD1-NH2 3.73Å; D847-R977 PolarHBondContact OD1-NH2 3.37Å; D847-R977 IonicContact OD2-CZ 2.8Å; D847-R977 IonicContact OD2-NE 3.46Å; D847-R977 IonicContact OD2-NH2 3.78Å; D847-R977 PolarHBondContact OD2-NH2 3.41Å; K849-R977 VanDerWaalsContact CE-NH2 3.25Å; K849-R977 VanDerWaalsContact NZ-NH2 3.14Å; D854-R977 IonicContact OD1-CZ 3.2Å; D854-R977 IonicContact OD1-NH1 2.72Å; D854-R977 PolarHBondContact OD1-NH1 2.94Å; E857-R977 IonicContact OE2-CZ 2.81Å; E857-R977 IonicContact OE2-NH1 2.67Å; E857-R977 IonicContact OE2-NH2 2.81Å; E857-R977 PolarHBondContact OE2-NH2 3.26Å
978L98Very high93.1Very high0 Ų061.3 Ų61.30%034%0.34CS..  trans-98-30.6-170.3-51.6-172.9000112.3I787 K791 T796 A798 V845 V846 I976I787-L978 HydrophobicContact CG2-CD1 4.47Å; I787-L978 HydrophobicContact CG2-CD2 3.46Å; I787-L978 VanDerWaalsContact CG2-CD2 3.46Å; K791-L978 HydrophobicContact CB-CB 4.13Å; K791-L978 HydrophobicContact CB-CD1 4.27Å; K791-L978 HydrophobicContact CD-CB 4.3Å; K791-L978 VanDerWaalsContact CD-O 3.29Å; K791-L978 WeakPolarHBondContact CD-O 3.41Å; K791-L978 WeakPolarHBondContact CE-O 3.49Å; K791-L978 HydrophobicContact CG-CB 4.23Å; K791-L978 PolarHBondContact NZ-O 3.43Å; T796-L978 WeakPolarHBondContact O-CB 3.48Å; T796-L978 PolarHBondContact O-N 3.27Å; A798-L978 HydrophobicContact CB-CD1 4.47Å; A798-L978 HydrophobicContact CB-CD2 4.43Å; V845-L978 HydrophobicContact CG2-CD2 4.3Å; V846-L978 WeakPolarHBondContact CG2-O 3.37Å; I976-L978 HydrophobicContact CG2-CD2 3.99Å
979H96.5Very high93.3Very high34 Ų3458.6 Ų58.616%0.15734%0.338CS..SBendtrans-125143.8177.7-71.8-79000110.4K791 F795 V984 L987K791-H979 PolarHBondContact O-NE2 3.03Å; F795-H979 PolarHBondContact O-CD2 2.82Å; F795-H979 VanDerWaalsContact O-CD2 3.28Å; H979-V984 HydrophobicContact CB-CG2 4.4Å; H979-L987 HydrophobicContact CB-CD1 4.46Å
980P92.4Very high93.7Very high58 Ų5855.9 Ų55.938%0.37733%0.326SS..  trans-58.7142.5171.5-25.736.6000112.2V846 N982 S983 V984V846-P980 HydrophobicContact CG2-CG 4.2Å; P980-N982 WeakPolarHBondContact CB-OD1 3.06Å; P980-N982 PolarHBondContact O-N 3.23Å; P980-N982 VanDerWaalsContact O-N 3.1Å; P980-S983 PolarHBondContact O-N 3.23Å; P980-S983 PolarHBondContact O-OG 2.87Å; P980-V984 PolarHBondContact O-N 2.82Å
981Q85.2Confident93.9Very high153 Ų15361.5 Ų61.572%0.71535%0.35SS*.Hα-helixtrans-55.8-35.8-172.3-163.570-4.600113.5S983 V984Q981-S983 VanDerWaalsContact C-N 3.32Å; Q981-S983 PolarHBondContact O-N 2.82Å; Q981-V984 PolarHBondContact O-N 3.16Å
982N88.9Confident94.1Very high146 Ų14657.5 Ų57.578%0.78133%0.333SS*.Hα-helixtrans-72.1-17.4178.565-24.5000114.5P980P980-N982 WeakPolarHBondContact CB-OD1 3.06Å; P980-N982 PolarHBondContact O-N 3.23Å; P980-N982 VanDerWaalsContact O-N 3.1Å
983S91.2Very high94.2Very high39 Ų3958.5 Ų58.527%0.27334%0.341SS..Hα-helixtrans-93.6-16.6176.767.90000113.5P980 Q981 A985 A986P980-S983 PolarHBondContact O-N 3.23Å; P980-S983 PolarHBondContact O-OG 2.87Å; Q981-S983 VanDerWaalsContact C-N 3.32Å; Q981-S983 PolarHBondContact O-N 2.82Å; S983-A985 VanDerWaalsContact C-N 3.33Å; S983-A985 PolarHBondContact O-N 3.3Å; S983-A986 PolarHBondContact O-N 3.08Å; S983-A986 VanDerWaalsContact O-N 3.07Å
984V89.1Confident94.1Very high41 Ų4158.7 Ų58.725%0.24834%0.342CS..Hα-helixtrans-56.8-43.6-175.6171.70000112.5T796 H979 P980 Q981 A986 L987T796-V984 HydrophobicContact CG2-CB 4.38Å; T796-V984 HydrophobicContact CG2-CG1 3.74Å; T796-V984 HydrophobicContact CG2-CG2 3.94Å; H979-V984 HydrophobicContact CB-CG2 4.4Å; P980-V984 PolarHBondContact O-N 2.82Å; Q981-V984 PolarHBondContact O-N 3.16Å; V984-A986 PolarHBondContact O-N 2.98Å; V984-L987 WeakPolarHBondContact O-CB 3.45Å; V984-L987 PolarHBondContact O-N 3.42Å
985A88Confident93.7Very high105 Ų10562.2 Ų62.287%0.86837%0.366SS*.THydrogen-bonded Turntrans-66.6-15.8-179.300000114.1S983S983-A985 VanDerWaalsContact C-N 3.33Å; S983-A985 PolarHBondContact O-N 3.3Å
986A92.6Very high93.3Very high87 Ų8766.7 Ų66.772%0.71939%0.39SS*.THydrogen-bonded Turntrans-97.8-1.2178.300000113.5S983 V984S983-A986 PolarHBondContact O-N 3.08Å; S983-A986 VanDerWaalsContact O-N 3.07Å; V984-A986 PolarHBondContact O-N 2.98Å
987L95.5Very high92.7Very high32 Ų3268.3 Ų68.317%0.16840%0.398CS..PPolyproline II helixtrans-73131.5-178.2-66.1175.7000111.4R756 T796 H979 V984R756-L987 PolarHBondContact NH2-O 2.71Å; T796-L987 HydrophobicContact CG2-CD1 3.67Å; H979-L987 HydrophobicContact CB-CD1 4.46Å; V984-L987 WeakPolarHBondContact O-CB 3.45Å; V984-L987 PolarHBondContact O-N 3.42Å
988P95.3Very high91.9Very high92 Ų9270.4 Ų70.460%0.59741%0.413SS*.PPolyproline II helixtrans-63.7161.4174.929.1-35.8000111.4R756R756-P988 VanDerWaalsContact CZ-O 3.31Å; R756-P988 PolarHBondContact NH1-O 2.79Å; R756-P988 PolarHBondContact NH2-O 3.16Å
989P96.2Very high91.3Very high92 Ų9270.4 Ų70.460%0.59741%0.413SS*.PPolyproline II helixtrans-53.9140.2171.2-2534.7000111.2K991P989-K991 PolarHBondContact O-N 3.35Å
990I97.7Very high90.6Very high21 Ų2175.3 Ų75.311%0.10844%0.436CS..PPolyproline II helixtrans-65.1129.9179.3-62.6-174.7000108.3S748 R756 L793 F795S748-I990 PolarHBondContact OG-N 3.28Å; R756-I990 HydrophobicContact CB-CD1 4.26Å; R756-I990 HydrophobicContact CG-CD1 3.91Å; R756-I990 HydrophobicContact CG-CG1 4.47Å; L793-I990 HydrophobicContact CB-CG2 4.39Å; F795-I990 HydrophobicContact CB-CD1 4.48Å; F795-I990 HydrophobicContact CD1-CD1 3.6Å; F795-I990 HydrophobicContact CD2-CD1 3.89Å; F795-I990 HydrophobicContact CE1-CD1 3.65Å; F795-I990 HydrophobicContact CE2-CD1 3.94Å; F795-I990 HydrophobicContact CE2-CG2 3.93Å; F795-I990 HydrophobicContact CG-CD1 3.73Å; F795-I990 HydrophobicContact CZ-CD1 3.8Å; F795-I990 HydrophobicContact CZ-CG2 4.04Å
991K94.8Very high90.5Very high172 Ų17273.4 Ų73.475%0.74842%0.422SS*.  trans-127.291.5172.8-70-173.7179.4-1780108.4P989 P993P989-K991 PolarHBondContact O-N 3.35Å; K991-P993 WeakPolarHBondContact O-CD 3.45Å
992D95.5Very high90.8Very high36 Ų3666.2 Ų66.219%0.19339%0.389CS..  trans-59117.2170.6-171.912.8000108.9R721 K723 D994R721-D992 WeakPolarHBondContact CD-OD2 3.48Å; R721-D992 IonicContact CZ-OD2 3.7Å; R721-D992 IonicContact NE-OD2 3.88Å; R721-D992 IonicContact NH1-OD2 2.76Å; R721-D992 PolarHBondContact NH1-OD2 3.47Å; K723-D992 VanDerWaalsContact CE-OD2 3.29Å; K723-D992 WeakPolarHBondContact CE-OD2 3.33Å; K723-D992 IonicContact NZ-OD1 2.83Å; K723-D992 PolarHBondContact NZ-OD1 2.85Å; K723-D992 VanDerWaalsContact NZ-OD1 3.14Å; K723-D992 IonicContact NZ-OD2 2.76Å; K723-D992 PolarHBondContact NZ-OD2 3.26Å; D992-D994 VanDerWaalsContact C-N 3.26Å; D992-D994 PolarHBondContact OD1-N 2.93Å
993P95.2Very high90.7Very high53 Ų5361.9 Ų61.934%0.34436%0.364SS..  trans-84.7-4.1-175.736.5-38.5000112.9K663 Y789 L793 K991K663-P993 HydrophobicContact CB-CG 4.48Å; K663-P993 HydrophobicContact CD-CB 3.85Å; K663-P993 HydrophobicContact CD-CG 3.86Å; Y789-P993 WeakPolarHBondContact OH-CG 3.09Å; L793-P993 HydrophobicContact CD2-CG 4.31Å; K991-P993 WeakPolarHBondContact O-CD 3.45Å
994D94.2Very high90.1Very high12 Ų1262.7 Ų62.76%0.06437%0.369CS..SBendtrans-95.7140.9-176-66.5-39.4000111C662 K663 L664 Y789 D992C662-D994 HydrophobicContact CB-CB 4.1Å; C662-D994 WeakPolarHBondContact CB-OD1 3.31Å; K663-D994 WeakPolarHBondContact CA-OD1 3.47Å; K663-D994 VanDerWaalsContact CB-OD1 3.26Å; K663-D994 WeakPolarHBondContact CB-OD1 3.41Å; K663-D994 WeakPolarHBondContact CG-OD1 3.23Å; K663-D994 PolarHBondContact N-OD1 3.37Å; L664-D994 WeakPolarHBondContact CB-OD2 3.41Å; L664-D994 PolarHBondContact N-OD2 2.83Å; Y789-D994 PolarHBondContact OH-OD2 3.25Å; D992-D994 VanDerWaalsContact C-N 3.26Å; D992-D994 PolarHBondContact OD1-N 2.93Å
995P87.8Confident89.8Confident83 Ų8363.2 Ų63.254%0.53937%0.366SS..PPolyproline II helixtrans-71.216118031.5-36000111.3
996L89.2Confident89.4Confident96 Ų9659.9 Ų59.950%0.50334%0.342SS..PPolyproline II helixtrans-64.4137.8164.3-63.6179.8000109.9A693A693-L996 CarbonylContact O-C 3.37Å; A693-L996 VanDerWaalsContact O-CA 3.27Å; A693-L996 WeakPolarHBondContact O-CA 3.43Å; A693-L996 WeakPolarHBondContact O-CB 3.34Å; A693-L996 WeakPolarHBondContact O-CD2 3.41Å
997I86.6Confident89.1Confident34 Ų3457 Ų5717%0.17432%0.319CS..BIsolated β-bridgetrans-122.9105.8-179.9-55.7176.5000106.3V690 L691 A692 A693V690-I997 HydrophobicContact CB-CD1 4.23Å; V690-I997 HydrophobicContact CG1-CD1 4.19Å; V690-I997 WeakPolarHBondContact O-CD1 3.48Å; L691-I997 VanDerWaalsContact O-CG2 3.31Å; L691-I997 WeakPolarHBondContact O-CG2 3.38Å; A692-I997 CarbonylContact C-O 3.51Å; A692-I997 WeakPolarHBondContact CA-O 3.48Å; A693-I997 HydrophobicContact CB-CB 4.1Å; A693-I997 HydrophobicContact CB-CG1 4.21Å; A693-I997 PolarHBondContact N-O 3.01Å; A693-I997 PolarHBondContact O-N 3.11Å
998N79.2Confident88.9Confident92 Ų9255.8 Ų55.849%0.49231%0.312SS..  trans-82.1117-177.4-170.794000109.7N1040N998-N1040 PolarHBondContact O-ND2 3.38Å; N998-N1040 PolarHBondContact O-OD1 3.41Å
999S86.9Confident88.5Confident1 Ų152.2 Ų52.21%0.00729%0.288CS..  trans-148.499.8173.8172.50000108.1L691 L1001 M1002 E1003 E1039L691-S999 VanDerWaalsContact O-CB 3.23Å; L691-S999 WeakPolarHBondContact O-CB 3.5Å; S999-L1001 PolarHBondContact O-N 3Å; S999-M1002 PolarHBondContact O-N 2.95Å; S999-M1002 VanDerWaalsContact O-N 3.16Å; S999-M1002 WeakPolarHBondContact OG-CB 3.27Å; S999-M1002 PolarHBondContact OG-N 3.11Å; S999-E1003 WeakPolarHBondContact O-CB 3.34Å; S999-E1003 PolarHBondContact O-N 3.12Å; S999-E1039 VanDerWaalsContact CA-OE1 3.29Å; S999-E1039 WeakPolarHBondContact CA-OE1 3.47Å; S999-E1039 WeakPolarHBondContact CA-OE2 3.48Å; S999-E1039 WeakPolarHBondContact CB-OE2 3.28Å; S999-E1039 VanDerWaalsContact OG-CD 3.29Å; S999-E1039 PolarHBondContact OG-OE1 3.46Å; S999-E1039 PolarHBondContact OG-OE2 2.91Å
1000E82.1Confident87.9Confident136 Ų13653.9 Ų53.964%0.63629%0.288SS*.THydrogen-bonded Turntrans-59.3-32.1178.4-63.5-174.1-171.100110.5A1007 E1039E1000-A1007 WeakPolarHBondContact O-CB 3.3Å; E1000-E1039 PolarHBondContact N-OE1 2.82Å
1001L88.7Confident87.3Confident19 Ų1954.1 Ų54.110%0.09929%0.288CS..THydrogen-bonded Turntrans-64.5-39.3175.7-17564.9000113.4S999 F1008 K1011 E1035 L1036 E1039S999-L1001 PolarHBondContact O-N 3Å; L1001-F1008 HydrophobicContact CD1-CB 4.38Å; L1001-F1008 HydrophobicContact CD1-CD2 4.25Å; L1001-F1008 HydrophobicContact CG-CD2 4.41Å; L1001-F1008 PolarHBondContact O-N 3.34Å; L1001-K1011 HydrophobicContact CD1-CB 3.84Å; L1001-K1011 HydrophobicContact CD1-CG 4.09Å; L1001-E1035 HydrophobicContact CD2-CB 3.87Å; L1001-L1036 HydrophobicContact CD2-CD2 4.38Å; L1001-L1036 HydrophobicContact CD2-CG 4.49Å; L1001-E1039 WeakPolarHBondContact CB-OE1 3.27Å; L1001-E1039 PolarHBondContact N-OE1 3.29Å
1002M92.3Very high87.1Confident1 Ų146 Ų461%0.00525%0.252CS..THydrogen-bonded Turntrans-107.9-10.8-172.8-65.7-64.4171.200114.9L691 A692 A724 F726 H742 S999 C1004 F1008 M1032 L1036L691-M1002 HydrophobicContact CB-CB 4.02Å; L691-M1002 HydrophobicContact CB-CG 3.88Å; L691-M1002 HydrophobicContact CD1-CE 4.25Å; L691-M1002 HydrophobicContact CD1-CG 4.07Å; L691-M1002 HydrophobicContact CD1-SD 4.23Å; A692-M1002 HydrophobicContact CB-CB 4.01Å; A724-M1002 HydrophobicContact CB-CB 4.32Å; A724-M1002 WeakPolarHBondContact CB-O 3.44Å; F726-M1002 HydrophobicContact CE2-SD 3.72Å; F726-M1002 HydrophobicContact CZ-SD 3.69Å; H742-M1002 PolarHBondContact NE2-O 3.08Å; S999-M1002 PolarHBondContact O-N 2.95Å; S999-M1002 VanDerWaalsContact O-N 3.16Å; S999-M1002 WeakPolarHBondContact OG-CB 3.27Å; S999-M1002 PolarHBondContact OG-N 3.11Å; M1002-C1004 PolarHBondContact O-N 3.02Å; M1002-F1008 HydrophobicContact CE-CD2 3.66Å; M1002-F1008 HydrophobicContact CE-CE2 4Å; M1002-F1008 HydrophobicContact CE-CG 4.02Å; M1002-F1008 HydrophobicContact SD-CB 4.39Å; M1002-F1008 HydrophobicContact SD-CG 4.35Å; M1002-M1032 HydrophobicContact CE-CG 3.54Å; M1002-M1032 HydrophobicContact CE-SD 3.55Å; M1002-M1032 VanDerWaalsContact CE-SD 3.55Å; M1002-L1036 HydrophobicContact CE-CD1 4.25Å; M1002-L1036 HydrophobicContact CE-CD2 4.18Å; M1002-L1036 HydrophobicContact CE-CG 4.47Å; M1002-L1036 HydrophobicContact CG-CD2 3.68Å
1003E85.8Confident86.7Confident55 Ų5549.4 Ų49.426%0.25726%0.262SS..SBendtrans-65.8-18.3178.8-160.6-162.886.500113.4A692 A694 K696 V722 S999A692-E1003 HydrophobicContact CB-CB 4.41Å; A694-E1003 HydrophobicContact CB-CG 3.88Å; A694-E1003 WeakPolarHBondContact CB-OE2 3.47Å; K696-E1003 WeakPolarHBondContact CE-OE1 3.25Å; K696-E1003 PolarHBondContact NZ-O 3.41Å; K696-E1003 IonicContact NZ-OE1 3.71Å; K696-E1003 PolarHBondContact NZ-OE1 2.94Å; V722-E1003 HydrophobicContact CG1-CG 3.89Å; S999-E1003 WeakPolarHBondContact O-CB 3.34Å; S999-E1003 PolarHBondContact O-N 3.12Å
1004C78.5Confident86.2Confident56 Ų5651.8 Ų51.838%0.37827%0.269SS..SBendtrans-146.5152.9172.475.60000111.8M1002 G1006M1002-C1004 PolarHBondContact O-N 3.02Å; C1004-G1006 PolarHBondContact O-N 3.48Å
1005R84.2Confident86Confident53 Ų5354 Ų5420%0.228%0.278CS..Hα-helixtrans-63.1-28.1178.988.4-169.2-159.683.6-9.1113.4Y762 D809 D810 Y811 L1009Y762-R1005 VanDerWaalsContact CE1-CD 3.45Å; Y762-R1005 VanDerWaalsContact CZ-CD 3.47Å; D809-R1005 IonicContact OD1-NH1 3.21Å; D809-R1005 IonicContact OD1-NH2 3.76Å; D809-R1005 PolarHBondContact OD1-NH2 2.75Å; D809-R1005 IonicContact OD2-NH2 3.9Å; D809-R1005 PolarHBondContact OD2-NH2 3.27Å; D810-R1005 PolarHBondContact O-NH1 2.85Å; Y811-R1005 WeakPolarHBondContact O-CB 3.18Å; Y811-R1005 WeakPolarHBondContact O-CD 3.32Å; Y811-R1005 PolarHBondContact O-NH1 2.92Å; R1005-L1009 HydrophobicContact CG-CD1 4.24Å; R1005-L1009 WeakPolarHBondContact O-CB 3.22Å; R1005-L1009 VanDerWaalsContact O-CG 3.3Å; R1005-L1009 WeakPolarHBondContact O-CG 3.48Å; R1005-L1009 PolarHBondContact O-N 2.81Å; R1005-L1009 VanDerWaalsContact O-N 3.16Å
1006G79.6Confident86.1Confident34 Ų3453.3 Ų53.335%0.35127%0.268SS..Hα-helixtrans-63.5-51.1-175.100000112.9C1004 F1008 L1009 E1010C1004-G1006 PolarHBondContact O-N 3.48Å; G1006-F1008 PolarHBondContact O-N 3.32Å; G1006-L1009 PolarHBondContact O-N 2.86Å; G1006-E1010 VanDerWaalsContact O-CB 3.31Å; G1006-E1010 WeakPolarHBondContact O-CB 3.28Å; G1006-E1010 PolarHBondContact O-N 3.4Å
1007A86.1Confident86.3Confident28 Ų2849 Ų4923%0.23125%0.245CC..Hα-helixtrans-59.8-45.9-176.600000112.3E1000 E1010 K1011E1000-A1007 WeakPolarHBondContact O-CB 3.3Å; A1007-E1010 PolarHBondContact O-N 3.09Å; A1007-K1011 WeakPolarHBondContact O-CB 3.48Å; A1007-K1011 PolarHBondContact O-N 2.83Å
1008F90.7Very high86.7Confident5 Ų547.5 Ų47.52%0.02224%0.237CC..Hα-helixtrans-65.5-43.1175.9-177.2-119.3000112.9I812 L1001 M1002 G1006 E1010 K1011 A1012 F1019 M1032I812-F1008 HydrophobicContact CG2-CD1 4.17Å; I812-F1008 VanDerWaalsContact O-CD1 3.25Å; I812-F1008 WeakPolarHBondContact O-CD1 3.09Å; I812-F1008 WeakPolarHBondContact O-CE1 3.38Å; L1001-F1008 HydrophobicContact CD1-CB 4.38Å; L1001-F1008 HydrophobicContact CD1-CD2 4.25Å; L1001-F1008 HydrophobicContact CG-CD2 4.41Å; L1001-F1008 PolarHBondContact O-N 3.34Å; M1002-F1008 HydrophobicContact CE-CD2 3.66Å; M1002-F1008 HydrophobicContact CE-CE2 4Å; M1002-F1008 HydrophobicContact CE-CG 4.02Å; M1002-F1008 HydrophobicContact SD-CB 4.39Å; M1002-F1008 HydrophobicContact SD-CG 4.35Å; G1006-F1008 PolarHBondContact O-N 3.32Å; F1008-E1010 VanDerWaalsContact C-N 3.26Å; F1008-E1010 PolarHBondContact O-N 3.26Å; F1008-K1011 PolarHBondContact O-N 2.99Å; F1008-A1012 WeakPolarHBondContact O-CB 3.49Å; F1008-A1012 PolarHBondContact O-N 2.87Å; F1008-F1019 HydrophobicContact CE1-CE2 4.26Å; F1008-F1019 AromaticContact CZ-CE2 3.91Å; F1008-F1019 HydrophobicContact CZ-CE2 3.91Å; F1008-F1019 HydrophobicContact CZ-CZ 4.05Å; F1008-M1032 HydrophobicContact CD2-CG 4.42Å; F1008-M1032 HydrophobicContact CE1-SD 4.36Å; F1008-M1032 HydrophobicContact CE2-CB 4.12Å; F1008-M1032 HydrophobicContact CE2-CG 3.62Å; F1008-M1032 HydrophobicContact CE2-SD 3.68Å; F1008-M1032 HydrophobicContact CZ-CG 4.1Å; F1008-M1032 HydrophobicContact CZ-SD 3.56Å; F1008-M1032 VanDerWaalsContact CZ-SD 3.56Å
1009L87.3Confident87.6Confident18 Ų1843.1 Ų43.19%0.09421%0.214CC..Hα-helixtrans-67.8-23.4176.2-71.8172.7000113.4D810 I812 H814 R1005 G1006 R1013D810-L1009 HydrophobicContact CB-CD2 4.2Å; I812-L1009 VanDerWaalsContact O-CD2 3.32Å; I812-L1009 WeakPolarHBondContact O-CD2 3.28Å; H814-L1009 HydrophobicContact CB-CD2 3.87Å; R1005-L1009 HydrophobicContact CG-CD1 4.24Å; R1005-L1009 WeakPolarHBondContact O-CB 3.22Å; R1005-L1009 VanDerWaalsContact O-CG 3.3Å; R1005-L1009 WeakPolarHBondContact O-CG 3.48Å; R1005-L1009 PolarHBondContact O-N 2.81Å; R1005-L1009 VanDerWaalsContact O-N 3.16Å; G1006-L1009 PolarHBondContact O-N 2.86Å; L1009-R1013 WeakPolarHBondContact O-CG 3.39Å; L1009-R1013 PolarHBondContact O-N 2.94Å; L1009-R1013 PolarHBondContact O-NE 3.46Å
1010E82.9Confident87.9Confident127 Ų12743.7 Ų43.759%0.59322%0.218SC*.Hα-helixtrans-77.2-53.8172.8-172164-156.700111.2G1006 A1007 F1008 A1012 R1013 E1014G1006-E1010 VanDerWaalsContact O-CB 3.31Å; G1006-E1010 WeakPolarHBondContact O-CB 3.28Å; G1006-E1010 PolarHBondContact O-N 3.4Å; A1007-E1010 PolarHBondContact O-N 3.09Å; F1008-E1010 VanDerWaalsContact C-N 3.26Å; F1008-E1010 PolarHBondContact O-N 3.26Å; E1010-A1012 PolarHBondContact O-N 2.91Å; E1010-R1013 PolarHBondContact O-N 2.82Å; E1010-E1014 PolarHBondContact O-N 2.85Å
1011K85.3Confident88.6Confident26 Ų2638.9 Ų38.911%0.11320%0.199CC..Hα-helixtrans-56.7-35.5174-153.678.8172.4176.50112L1001 A1007 F1008 E1014 K1015 E1107L1001-K1011 HydrophobicContact CD1-CB 3.84Å; L1001-K1011 HydrophobicContact CD1-CG 4.09Å; A1007-K1011 WeakPolarHBondContact O-CB 3.48Å; A1007-K1011 PolarHBondContact O-N 2.83Å; F1008-K1011 PolarHBondContact O-N 2.99Å; K1011-E1014 WeakPolarHBondContact CD-OE2 2.89Å; K1011-E1014 IonicContact NZ-OE2 2.9Å; K1011-K1015 PolarHBondContact O-N 3.39Å; K1011-E1107 IonicContact NZ-OE1 3.09Å; K1011-E1107 PolarHBondContact NZ-OE1 3.08Å; K1011-E1107 IonicContact NZ-OE2 2.6Å; K1011-E1107 PolarHBondContact NZ-OE2 3.09Å
1012A91.7Very high89Confident0 Ų040 Ų400%021%0.205CC..Hα-helixtrans-71.5-33.9176.800000113.5H814 F1008 E1010 H1016 L1017H814-A1012 HydrophobicContact CB-CB 3.75Å; F1008-A1012 WeakPolarHBondContact O-CB 3.49Å; F1008-A1012 PolarHBondContact O-N 2.87Å; E1010-A1012 PolarHBondContact O-N 2.91Å; A1012-H1016 CarbonylContact O-C 3.58Å; A1012-H1016 WeakPolarHBondContact O-CA 3.29Å; A1012-H1016 PolarHBondContact O-N 3.45Å; A1012-L1017 HydrophobicContact CB-CB 4.05Å; A1012-L1017 PolarHBondContact O-N 2.78Å
1013R86.3Confident89.2Confident108 Ų10841.8 Ų41.841%0.40821%0.211SC..Hα-helixtrans-71.9-43.9171.2-78.1175.5-65.6155.58.5111.2H814 L1009 E1010 K1015 H1016H814-R1013 WeakPolarHBondContact NE2-CG 3.35Å; L1009-R1013 WeakPolarHBondContact O-CG 3.39Å; L1009-R1013 PolarHBondContact O-N 2.94Å; L1009-R1013 PolarHBondContact O-NE 3.46Å; E1010-R1013 PolarHBondContact O-N 2.82Å; R1013-K1015 PolarHBondContact O-N 3.17Å; R1013-H1016 PolarHBondContact O-N 2.79Å
1014E85Confident89.7Confident103 Ų10339.9 Ų39.948%0.48120%0.202SC..Hα-helixtrans-57.2-48.4177.1-175.7-166.3-159.200112.2E1010 K1011E1010-E1014 PolarHBondContact O-N 2.85Å; K1011-E1014 WeakPolarHBondContact CD-OE2 2.89Å; K1011-E1014 IonicContact NZ-OE2 2.9Å
1015K89.8Confident90.7Very high58 Ų5837.2 Ų37.225%0.25218%0.184SC..THydrogen-bonded Turntrans-96.214.4-176.7-63.9-168.7177-172.40114.2K1011 R1013 L1017 V1031 E1035K1011-K1015 PolarHBondContact O-N 3.39Å; R1013-K1015 PolarHBondContact O-N 3.17Å; K1015-L1017 VanDerWaalsContact C-N 3.28Å; K1015-L1017 HydrophobicContact CB-CD1 4.11Å; K1015-L1017 HydrophobicContact CB-CD2 4.04Å; K1015-L1017 HydrophobicContact CB-CG 3.8Å; K1015-L1017 VanDerWaalsContact O-CD2 3.31Å; K1015-L1017 WeakPolarHBondContact O-CD2 3.3Å; K1015-L1017 PolarHBondContact O-N 2.81Å; K1015-V1031 HydrophobicContact CD-CG1 4.45Å; K1015-E1035 IonicContact NZ-OE1 2.7Å; K1015-E1035 PolarHBondContact NZ-OE1 3.28Å
1016H90.2Very high91.3Very high70 Ų7035.4 Ų35.432%0.32418%0.178SC..THydrogen-bonded Turntrans51.740-179.5-51.6-103.8000114.2Y528 E606 A1012 R1013 E1018Y528-H1016 HydrophobicContact CD1-CB 3.74Å; Y528-H1016 HydrophobicContact CD2-CB 4.25Å; Y528-H1016 HydrophobicContact CE1-CB 3.61Å; Y528-H1016 VanDerWaalsContact CE1-O 3.27Å; Y528-H1016 WeakPolarHBondContact CE1-O 3.3Å; Y528-H1016 HydrophobicContact CE2-CB 4.13Å; Y528-H1016 HydrophobicContact CG-CB 4.06Å; E606-H1016 IonicContact OE2-CE1 2.72Å; E606-H1016 PolarHBondContact OE2-CE1 3.1Å; E606-H1016 IonicContact OE2-ND1 3.91Å; E606-H1016 IonicContact OE2-NE2 3.55Å; A1012-H1016 CarbonylContact O-C 3.58Å; A1012-H1016 WeakPolarHBondContact O-CA 3.29Å; A1012-H1016 PolarHBondContact O-N 3.45Å; R1013-H1016 PolarHBondContact O-N 2.79Å; H1016-E1018 PolarHBondContact O-N 2.87Å; H1016-E1018 VanDerWaalsContact O-N 3.16Å
1017L94.1Very high92.2Very high4 Ų434.1 Ų34.12%0.02116%0.162CC..  trans-87.375-176.6-50.3-178.9000111.3A1012 K1015 Y1027 S1028 V1031A1012-L1017 HydrophobicContact CB-CB 4.05Å; A1012-L1017 PolarHBondContact O-N 2.78Å; K1015-L1017 VanDerWaalsContact C-N 3.28Å; K1015-L1017 HydrophobicContact CB-CD1 4.11Å; K1015-L1017 HydrophobicContact CB-CD2 4.04Å; K1015-L1017 HydrophobicContact CB-CG 3.8Å; K1015-L1017 VanDerWaalsContact O-CD2 3.31Å; K1015-L1017 WeakPolarHBondContact O-CD2 3.3Å; K1015-L1017 PolarHBondContact O-N 2.81Å; L1017-Y1027 HydrophobicContact CD2-CD1 4.45Å; L1017-Y1027 HydrophobicContact CD2-CE1 4.21Å; L1017-S1028 VanDerWaalsContact CA-OG 3.31Å; L1017-S1028 WeakPolarHBondContact CA-OG 3.24Å; L1017-V1031 HydrophobicContact CD1-CB 4.04Å; L1017-V1031 HydrophobicContact CD1-CG1 3.72Å; L1017-V1031 HydrophobicContact CD2-CB 3.88Å; L1017-V1031 HydrophobicContact CD2-CG1 4Å; L1017-V1031 HydrophobicContact CD2-CG2 3.88Å
1018E94.9Very high92.7Very high4 Ų432.8 Ų32.82%0.01915%0.151CC..  trans-75.4154.4174.4-57-179.6-154.400112.6Y528 Q529 H814 M815 H1016 S1020 R1024 S1028Y528-E1018 WeakPolarHBondContact CA-OE1 3.47Å; Q529-E1018 PolarHBondContact N-OE1 3.41Å; H814-E1018 CarbonylContact O-C 3.5Å; H814-E1018 WeakPolarHBondContact O-CA 3.5Å; M815-E1018 HydrophobicContact CB-CB 3.91Å; M815-E1018 HydrophobicContact CB-CG 3.77Å; M815-E1018 HydrophobicContact CG-CB 4.29Å; M815-E1018 HydrophobicContact CG-CG 3.93Å; H1016-E1018 PolarHBondContact O-N 2.87Å; H1016-E1018 VanDerWaalsContact O-N 3.16Å; E1018-S1020 VanDerWaalsContact OE2-CB 3.24Å; E1018-S1020 WeakPolarHBondContact OE2-CB 3.46Å; E1018-S1020 PolarHBondContact OE2-OG 3.06Å; E1018-R1024 HydrophobicContact CB-CB 4.31Å; E1018-R1024 CarbonylContact O-C 3.29Å; E1018-R1024 WeakPolarHBondContact O-CB 3.36Å; E1018-R1024 IonicContact OE1-CZ 3.85Å; E1018-R1024 IonicContact OE1-NH1 2.97Å; E1018-R1024 PolarHBondContact OE1-NH1 2.93Å; E1018-R1024 WeakPolarHBondContact OE2-CD 3.46Å; E1018-R1024 IonicContact OE2-CZ 3.37Å; E1018-R1024 IonicContact OE2-NE 3.85Å; E1018-R1024 IonicContact OE2-NH1 2.63Å; E1018-R1024 PolarHBondContact OE2-NH1 2.66Å; E1018-S1028 PolarHBondContact N-OG 3.43Å; E1018-S1028 PolarHBondContact O-OG 2.82Å
1019F96.8Very high93.1Very high0 Ų032.6 Ų32.60%015%0.15CC..  trans-109.522.3165.8-69.1-101.1000112.2V766 F768 F813 H814 M815 P817 F1008 S1021 A1025V766-F1019 HydrophobicContact CG1-CB 3.56Å; V766-F1019 HydrophobicContact CG1-CD1 4.44Å; V766-F1019 HydrophobicContact CG1-CG 4.29Å; V766-F1019 HydrophobicContact CG2-CD1 4.19Å; F768-F1019 VanDerWaalsContact CE2-O 3.28Å; F768-F1019 WeakPolarHBondContact CE2-O 3.45Å; F813-F1019 HydrophobicContact CB-CB 4.19Å; F813-F1019 HydrophobicContact CB-CD2 4.08Å; F813-F1019 HydrophobicContact CB-CG 4.05Å; F813-F1019 AromaticContact CD1-CD1 3.78Å; F813-F1019 HydrophobicContact CD1-CD1 3.78Å; F813-F1019 HydrophobicContact CD1-CD2 4.03Å; F813-F1019 AromaticContact CD1-CE1 3.72Å; F813-F1019 HydrophobicContact CD1-CE1 3.72Å; F813-F1019 AromaticContact CD1-CE2 3.98Å; F813-F1019 HydrophobicContact CD1-CE2 3.98Å; F813-F1019 AromaticContact CD1-CG 3.95Å; F813-F1019 HydrophobicContact CD1-CG 3.95Å; F813-F1019 AromaticContact CD1-CZ 3.82Å; F813-F1019 HydrophobicContact CD1-CZ 3.82Å; F813-F1019 HydrophobicContact CE1-CD1 4.42Å; F813-F1019 HydrophobicContact CE1-CE1 4.06Å; F813-F1019 HydrophobicContact CE1-CZ 4.28Å; F813-F1019 HydrophobicContact CG-CD1 4.49Å; F813-F1019 HydrophobicContact CG-CG 4.38Å; H814-F1019 PolarHBondContact O-N 2.76Å; M815-F1019 CarbonylContact O-C 3.46Å; M815-F1019 VanDerWaalsContact O-C 3.27Å; M815-F1019 PolarHBondContact O-N 3Å; P817-F1019 WeakPolarHBondContact CD-O 3.24Å; P817-F1019 WeakPolarHBondContact CG-O 3.48Å; F1008-F1019 HydrophobicContact CE1-CE2 4.26Å; F1008-F1019 AromaticContact CZ-CE2 3.91Å; F1008-F1019 HydrophobicContact CZ-CE2 3.91Å; F1008-F1019 HydrophobicContact CZ-CZ 4.05Å; F1019-S1021 VanDerWaalsContact C-N 3.31Å; F1019-S1021 PolarHBondContact O-N 2.61Å; F1019-A1025 HydrophobicContact CB-CB 4.48Å; F1019-A1025 HydrophobicContact CD1-CB 3.83Å
1020S94.1Very high93.6Very high12 Ų1231.7 Ų31.78%0.08415%0.146CC..SBendtrans-73.4-14.4-170.564.70000115.8M815 P817 E1018M815-S1020 WeakPolarHBondContact O-CA 3.47Å; M815-S1020 WeakPolarHBondContact O-CB 3.22Å; M815-S1020 PolarHBondContact O-N 2.7Å; P817-S1020 WeakPolarHBondContact CA-O 3.23Å; P817-S1020 WeakPolarHBondContact CB-O 3.15Å; E1018-S1020 VanDerWaalsContact OE2-CB 3.24Å; E1018-S1020 WeakPolarHBondContact OE2-CB 3.46Å; E1018-S1020 PolarHBondContact OE2-OG 3.06Å
1021S96.1Very high94.2Very high35 Ų3525.9 Ų25.925%0.24512%0.119CC..SBendtrans-153.1156.1180610000109.8F1019 R1023 R1024 A1025F1019-S1021 VanDerWaalsContact C-N 3.31Å; F1019-S1021 PolarHBondContact O-N 2.61Å; S1021-R1023 PolarHBondContact O-N 3.45Å; S1021-R1023 VanDerWaalsContact O-N 3.16Å; S1021-R1023 WeakPolarHBondContact OG-CG 3.44Å; S1021-R1024 PolarHBondContact O-N 2.9Å; S1021-R1024 PolarHBondContact OG-N 3.19Å; S1021-A1025 WeakPolarHBondContact O-CB 3.2Å; S1021-A1025 PolarHBondContact O-N 2.94Å
1022L97Very high94.7Very high42 Ų4224.8 Ų24.822%0.2211%0.114CC..Hα-helixtrans-58.2-35-176.9178.560.3000112.4I731 V736 F768 R770 K1026I731-L1022 HydrophobicContact CD1-CD1 4.41Å; I731-L1022 HydrophobicContact CG2-CD1 4.49Å; I731-L1022 HydrophobicContact CG2-CD2 4.34Å; V736-L1022 HydrophobicContact CG2-CD1 4.08Å; F768-L1022 HydrophobicContact CB-CD1 4.1Å; F768-L1022 HydrophobicContact CD1-CB 3.84Å; F768-L1022 HydrophobicContact CD1-CD1 4.17Å; F768-L1022 HydrophobicContact CE1-CB 3.86Å; F768-L1022 VanDerWaalsContact CE1-N 3.27Å; F768-L1022 HydrophobicContact CG-CB 4.49Å; F768-L1022 HydrophobicContact CG-CD1 4.07Å; F768-L1022 VanDerWaalsContact CZ-N 3.3Å; R770-L1022 VanDerWaalsContact NH2-CD2 3.26Å; L1022-K1026 HydrophobicContact CD1-CG 4.43Å; L1022-K1026 WeakPolarHBondContact O-CB 3.39Å; L1022-K1026 WeakPolarHBondContact O-CG 3.29Å; L1022-K1026 PolarHBondContact O-N 2.93Å
1023R96.6Very high94.9Very high39 Ų3924.8 Ų24.815%0.14711%0.114CC..Hα-helixtrans-66.5-43175.461-174.3-67.7-73.36.9112.3E608 V623 C624 S1021 Y1027E608-R1023 VanDerWaalsContact CD-NH1 3.28Å; E608-R1023 IonicContact OE1-CZ 2.64Å; E608-R1023 IonicContact OE1-NH1 3.2Å; E608-R1023 PolarHBondContact OE1-NH1 2.6Å; E608-R1023 IonicContact OE1-NH2 2.98Å; E608-R1023 IonicContact OE2-CZ 3.22Å; E608-R1023 VanDerWaalsContact OE2-CZ 3.32Å; E608-R1023 IonicContact OE2-NH1 3.31Å; E608-R1023 PolarHBondContact OE2-NH1 2.81Å; E608-R1023 IonicContact OE2-NH2 2.93Å; E608-R1023 PolarHBondContact OE2-NH2 2.99Å; V623-R1023 HydrophobicContact CG1-CB 4.15Å; V623-R1023 HydrophobicContact CG1-CG 4.26Å; V623-R1023 WeakPolarHBondContact CG1-O 3.38Å; C624-R1023 PolarHBondContact SG-NE 3.02Å; C624-R1023 PolarHBondContact SG-NH2 3.25Å; S1021-R1023 PolarHBondContact O-N 3.45Å; S1021-R1023 VanDerWaalsContact O-N 3.16Å; S1021-R1023 WeakPolarHBondContact OG-CG 3.44Å; R1023-Y1027 PolarHBondContact O-N 3.41Å
1024R97.4Very high95.2Very high15 Ų1521.9 Ų21.96%0.05710%0.104CC..Hα-helixtrans-69.3-45.7174.8-69.2-170.2-177.4156.34.1111.2Y527 E608 V623 E1018 S1021 K1026 Y1027 S1028Y527-R1024 PolarHBondContact O-NH1 2.94Å; Y527-R1024 PolarHBondContact O-NH2 3.46Å; E608-R1024 IonicContact OE1-CZ 3.51Å; E608-R1024 IonicContact OE1-NE 2.68Å; E608-R1024 PolarHBondContact OE1-NE 2.67Å; E608-R1024 IonicContact OE1-NH2 3.75Å; E608-R1024 PolarHBondContact OE1-NH2 3.31Å; V623-R1024 HydrophobicContact CG1-CG 4Å; E1018-R1024 HydrophobicContact CB-CB 4.31Å; E1018-R1024 CarbonylContact O-C 3.29Å; E1018-R1024 WeakPolarHBondContact O-CB 3.36Å; E1018-R1024 IonicContact OE1-CZ 3.85Å; E1018-R1024 IonicContact OE1-NH1 2.97Å; E1018-R1024 PolarHBondContact OE1-NH1 2.93Å; E1018-R1024 WeakPolarHBondContact OE2-CD 3.46Å; E1018-R1024 IonicContact OE2-CZ 3.37Å; E1018-R1024 IonicContact OE2-NE 3.85Å; E1018-R1024 IonicContact OE2-NH1 2.63Å; E1018-R1024 PolarHBondContact OE2-NH1 2.66Å; S1021-R1024 PolarHBondContact O-N 2.9Å; S1021-R1024 PolarHBondContact OG-N 3.19Å; R1024-K1026 VanDerWaalsContact C-N 3.33Å; R1024-K1026 PolarHBondContact O-N 2.68Å; R1024-Y1027 CarbonylContact O-C 3.59Å; R1024-Y1027 WeakPolarHBondContact O-CA 3.4Å; R1024-Y1027 WeakPolarHBondContact O-CB 3.43Å; R1024-Y1027 PolarHBondContact O-N 2.9Å; R1024-S1028 WeakPolarHBondContact O-CB 3.35Å; R1024-S1028 PolarHBondContact O-N 3.16Å; R1024-S1028 PolarHBondContact O-OG 3.2Å
1025A98.1Very high95.5Very high0 Ų018.4 Ų18.40%09%0.087CC..Hα-helixtrans-57.6-39.3175.800000113.5V736 F768 F1019 S1021 T1029V736-A1025 HydrophobicContact CG1-CB 4.18Å; F768-A1025 HydrophobicContact CD2-CB 3.8Å; F768-A1025 HydrophobicContact CE2-CB 3.65Å; F1019-A1025 HydrophobicContact CB-CB 4.48Å; F1019-A1025 HydrophobicContact CD1-CB 3.83Å; S1021-A1025 WeakPolarHBondContact O-CB 3.2Å; S1021-A1025 PolarHBondContact O-N 2.94Å; A1025-T1029 VanDerWaalsContact O-CB 3.25Å; A1025-T1029 WeakPolarHBondContact O-CB 3.23Å; A1025-T1029 PolarHBondContact O-N 3.37Å; A1025-T1029 PolarHBondContact O-OG1 3.12Å
1026K97.6Very high95.5Very high16 Ų1616.4 Ų16.47%0.078%0.079CC..Hα-helixtrans-59.6-47.6170.4-81.4-176.9-175.3-160.20112.1I626 I731 D732 Q734 V736 L1022 R1024 T1029 L1030I626-K1026 HydrophobicContact CD1-CB 4.24Å; I626-K1026 HydrophobicContact CD1-CD 3.89Å; I731-K1026 VanDerWaalsContact O-CE 3.23Å; I731-K1026 WeakPolarHBondContact O-CE 3.42Å; I731-K1026 PolarHBondContact O-NZ 3.38Å; D732-K1026 IonicContact OD2-NZ 3.08Å; D732-K1026 PolarHBondContact OD2-NZ 3.49Å; Q734-K1026 HydrophobicContact CB-CD 4.02Å; Q734-K1026 HydrophobicContact CB-CG 4.33Å; Q734-K1026 HydrophobicContact CG-CB 3.91Å; Q734-K1026 HydrophobicContact CG-CD 3.93Å; Q734-K1026 HydrophobicContact CG-CG 3.77Å; V736-K1026 HydrophobicContact CG2-CB 4.39Å; V736-K1026 HydrophobicContact CG2-CD 4.4Å; V736-K1026 HydrophobicContact CG2-CG 3.37Å; L1022-K1026 HydrophobicContact CD1-CG 4.43Å; L1022-K1026 WeakPolarHBondContact O-CB 3.39Å; L1022-K1026 WeakPolarHBondContact O-CG 3.29Å; L1022-K1026 PolarHBondContact O-N 2.93Å; R1024-K1026 VanDerWaalsContact C-N 3.33Å; R1024-K1026 PolarHBondContact O-N 2.68Å; K1026-T1029 PolarHBondContact O-N 3.02Å; K1026-L1030 PolarHBondContact O-N 2.95Å
1027Y97.8Very high95.4Very high6 Ų615.2 Ų15.22%0.0247%0.074CC..Hα-helixtrans-68.3-46.5-179.1-176.5-100.5000112.8R622 V623 L1017 R1023 R1024 T1029 L1030 V1031R622-Y1027 WeakPolarHBondContact CD-OH 3.27Å; R622-Y1027 HydrophobicContact CG-CE2 4.08Å; R622-Y1027 PolarHBondContact NE-OH 3.14Å; R622-Y1027 VanDerWaalsContact NE-OH 3.14Å; R622-Y1027 PolarHBondContact NH1-OH 3.43Å; V623-Y1027 HydrophobicContact CB-CG 4.4Å; V623-Y1027 HydrophobicContact CG1-CG 4.4Å; V623-Y1027 HydrophobicContact CG2-CD1 4Å; V623-Y1027 HydrophobicContact CG2-CE1 4.46Å; V623-Y1027 HydrophobicContact CG2-CG 4.07Å; L1017-Y1027 HydrophobicContact CD2-CD1 4.45Å; L1017-Y1027 HydrophobicContact CD2-CE1 4.21Å; R1023-Y1027 PolarHBondContact O-N 3.41Å; R1024-Y1027 CarbonylContact O-C 3.59Å; R1024-Y1027 WeakPolarHBondContact O-CA 3.4Å; R1024-Y1027 WeakPolarHBondContact O-CB 3.43Å; R1024-Y1027 PolarHBondContact O-N 2.9Å; Y1027-T1029 VanDerWaalsContact C-N 3.28Å; Y1027-T1029 PolarHBondContact O-N 3.41Å; Y1027-L1030 WeakPolarHBondContact O-CB 3.37Å; Y1027-L1030 PolarHBondContact O-N 3.27Å; Y1027-L1030 VanDerWaalsContact O-N 3.09Å; Y1027-V1031 HydrophobicContact CD1-CG2 4.39Å; Y1027-V1031 HydrophobicContact CE1-CG2 3.91Å; Y1027-V1031 HydrophobicContact CE2-CG2 4.45Å; Y1027-V1031 PolarHBondContact O-N 2.94Å
1028S98Very high94.7Very high1 Ų117.1 Ų17.11%0.0078%0.084CC..Hα-helixtrans-61.8-35.4175.4-56.70000111.8L1017 E1018 R1024 M1032L1017-S1028 VanDerWaalsContact CA-OG 3.31Å; L1017-S1028 WeakPolarHBondContact CA-OG 3.24Å; E1018-S1028 PolarHBondContact N-OG 3.43Å; E1018-S1028 PolarHBondContact O-OG 2.82Å; R1024-S1028 WeakPolarHBondContact O-CB 3.35Å; R1024-S1028 PolarHBondContact O-N 3.16Å; R1024-S1028 PolarHBondContact O-OG 3.2Å; S1028-M1032 WeakPolarHBondContact O-CB 3.3Å; S1028-M1032 PolarHBondContact O-N 3.49Å
1029T98.3Very high93.7Very high0 Ų019.4 Ų19.40%010%0.095CC..Hα-helixtrans-66.1-43.2170.8-580000112F728 E735 C737 A1025 K1026 Y1027 M1032 L1033F728-T1029 HydrophobicContact CD1-CG2 3.94Å; F728-T1029 HydrophobicContact CE1-CG2 4.11Å; E735-T1029 WeakPolarHBondContact O-CG2 3.34Å; C737-T1029 HydrophobicContact CB-CG2 4.1Å; C737-T1029 PolarHBondContact N-OG1 2.83Å; A1025-T1029 VanDerWaalsContact O-CB 3.25Å; A1025-T1029 WeakPolarHBondContact O-CB 3.23Å; A1025-T1029 PolarHBondContact O-N 3.37Å; A1025-T1029 PolarHBondContact O-OG1 3.12Å; K1026-T1029 PolarHBondContact O-N 3.02Å; Y1027-T1029 VanDerWaalsContact C-N 3.28Å; Y1027-T1029 PolarHBondContact O-N 3.41Å; T1029-M1032 PolarHBondContact O-N 2.75Å; T1029-L1033 HydrophobicContact CG2-CD1 3.74Å; T1029-L1033 HydrophobicContact CG2-CG 4.23Å; T1029-L1033 WeakPolarHBondContact O-CB 3.34Å; T1029-L1033 VanDerWaalsContact O-CG 3.25Å; T1029-L1033 WeakPolarHBondContact O-CG 3.3Å; T1029-L1033 PolarHBondContact O-N 2.71Å
1030L97Very high91.7Very high0 Ų022.7 Ų22.70%011%0.112CC..Hα-helixtrans-58.2-48.6176.3-178.380000111.4I626 L628 I631 W632 K1026 Y1027 Y1034I626-L1030 HydrophobicContact CG2-CD2 4.05Å; L628-L1030 HydrophobicContact CB-CD2 4.02Å; I631-L1030 HydrophobicContact CD1-CD1 3.66Å; I631-L1030 HydrophobicContact CD1-CD2 4.19Å; I631-L1030 HydrophobicContact CD1-CG 3.78Å; W632-L1030 HydrophobicContact CH2-CD1 4.09Å; W632-L1030 HydrophobicContact CH2-CD2 4.41Å; W632-L1030 HydrophobicContact CZ3-CD1 4.38Å; W632-L1030 HydrophobicContact CZ3-CD2 3.96Å; K1026-L1030 PolarHBondContact O-N 2.95Å; Y1027-L1030 WeakPolarHBondContact O-CB 3.37Å; Y1027-L1030 PolarHBondContact O-N 3.27Å; Y1027-L1030 VanDerWaalsContact O-N 3.09Å; L1030-Y1034 PolarHBondContact O-N 2.7Å
1031V96.3Very high89.6Confident5 Ų527 Ų273%0.0313%0.126CC..Hα-helixtrans-65.3-48.8178.4-179.30000110.4L628 K1015 L1017 Y1027 L1033 Y1034 E1035L628-V1031 HydrophobicContact CD1-CG2 4.15Å; L628-V1031 HydrophobicContact CD2-CG2 4.17Å; K1015-V1031 HydrophobicContact CD-CG1 4.45Å; L1017-V1031 HydrophobicContact CD1-CB 4.04Å; L1017-V1031 HydrophobicContact CD1-CG1 3.72Å; L1017-V1031 HydrophobicContact CD2-CB 3.88Å; L1017-V1031 HydrophobicContact CD2-CG1 4Å; L1017-V1031 HydrophobicContact CD2-CG2 3.88Å; Y1027-V1031 HydrophobicContact CD1-CG2 4.39Å; Y1027-V1031 HydrophobicContact CE1-CG2 3.91Å; Y1027-V1031 HydrophobicContact CE2-CG2 4.45Å; Y1027-V1031 PolarHBondContact O-N 2.94Å; V1031-L1033 VanDerWaalsContact C-N 3.3Å; V1031-L1033 PolarHBondContact O-N 2.74Å; V1031-Y1034 WeakPolarHBondContact O-CA 3.35Å; V1031-Y1034 WeakPolarHBondContact O-CB 3.31Å; V1031-Y1034 PolarHBondContact O-N 2.8Å; V1031-E1035 HydrophobicContact CG1-CG 4.39Å; V1031-E1035 WeakPolarHBondContact O-CG 3.49Å; V1031-E1035 PolarHBondContact O-N 3.38Å
1032M95.3Very high86.9Confident2 Ų230.9 Ų30.91%0.0114%0.141CC..Hα-helixtrans-55-43.6178-175.5-172.580.600112.4F728 C737 M1002 F1008 S1028 T1029 E1035 L1036F728-M1032 HydrophobicContact CE1-CE 3.41Å; F728-M1032 VanDerWaalsContact CE1-CE 3.41Å; F728-M1032 HydrophobicContact CZ-CE 3.66Å; C737-M1032 HydrophobicContact CB-CE 3.92Å; M1002-M1032 HydrophobicContact CE-CG 3.54Å; M1002-M1032 HydrophobicContact CE-SD 3.55Å; M1002-M1032 VanDerWaalsContact CE-SD 3.55Å; F1008-M1032 HydrophobicContact CD2-CG 4.42Å; F1008-M1032 HydrophobicContact CE1-SD 4.36Å; F1008-M1032 HydrophobicContact CE2-CB 4.12Å; F1008-M1032 HydrophobicContact CE2-CG 3.62Å; F1008-M1032 HydrophobicContact CE2-SD 3.68Å; F1008-M1032 HydrophobicContact CZ-CG 4.1Å; F1008-M1032 HydrophobicContact CZ-SD 3.56Å; F1008-M1032 VanDerWaalsContact CZ-SD 3.56Å; S1028-M1032 WeakPolarHBondContact O-CB 3.3Å; S1028-M1032 PolarHBondContact O-N 3.49Å; T1029-M1032 PolarHBondContact O-N 2.75Å; M1032-E1035 PolarHBondContact O-N 3.21Å; M1032-L1036 HydrophobicContact CE-CD1 4.33Å; M1032-L1036 HydrophobicContact CG-CD1 3.97Å; M1032-L1036 WeakPolarHBondContact O-CD1 3.42Å; M1032-L1036 WeakPolarHBondContact O-CG 3.35Å; M1032-L1036 PolarHBondContact O-N 3.42Å; M1032-L1036 VanDerWaalsContact O-N 3.08Å
1033L95.3Very high84.3Confident0 Ų029.7 Ų29.70%014%0.136CC..Hα-helixtrans-67.1-37.2176.6-70.9171000112.3A656 L659 F728 E735 T1029 V1031 L1036 H1037A656-L1033 HydrophobicContact CB-CD1 4.23Å; A656-L1033 HydrophobicContact CB-CD2 3.91Å; L659-L1033 HydrophobicContact CD1-CD2 3.63Å; L659-L1033 HydrophobicContact CG-CD2 4.43Å; F728-L1033 HydrophobicContact CE1-CD1 4.38Å; F728-L1033 HydrophobicContact CE1-CD2 3.74Å; F728-L1033 HydrophobicContact CE1-CG 4.19Å; F728-L1033 HydrophobicContact CZ-CD2 4.05Å; E735-L1033 HydrophobicContact CB-CD1 4.45Å; E735-L1033 WeakPolarHBondContact OE2-CD1 3.44Å; T1029-L1033 HydrophobicContact CG2-CD1 3.74Å; T1029-L1033 HydrophobicContact CG2-CG 4.23Å; T1029-L1033 WeakPolarHBondContact O-CB 3.34Å; T1029-L1033 VanDerWaalsContact O-CG 3.25Å; T1029-L1033 WeakPolarHBondContact O-CG 3.3Å; T1029-L1033 PolarHBondContact O-N 2.71Å; V1031-L1033 VanDerWaalsContact C-N 3.3Å; V1031-L1033 PolarHBondContact O-N 2.74Å; L1033-L1036 HydrophobicContact CD2-CD1 4.41Å; L1033-H1037 WeakPolarHBondContact O-CB 3.4Å; L1033-H1037 PolarHBondContact O-CD2 2.77Å; L1033-H1037 VanDerWaalsContact O-CD2 3.25Å; L1033-H1037 PolarHBondContact O-N 3.2Å; L1033-H1037 VanDerWaalsContact O-N 3.11Å
1034Y93.7Very high81.5Confident48 Ų4828.6 Ų28.619%0.18813%0.133CC..Hα-helixtrans-62-45.9173176.1-91.8000112.2L628 E630 I631 F654 L1030 V1031 N1038L628-Y1034 HydrophobicContact CD2-CD1 4.02Å; L628-Y1034 HydrophobicContact CD2-CD2 4.3Å; L628-Y1034 HydrophobicContact CD2-CG 3.74Å; E630-Y1034 HydrophobicContact CB-CE1 4.05Å; E630-Y1034 HydrophobicContact CB-CE2 3.8Å; I631-Y1034 HydrophobicContact CD1-CD2 4.3Å; I631-Y1034 HydrophobicContact CG1-CD2 3.67Å; I631-Y1034 HydrophobicContact CG1-CE2 4.32Å; I631-Y1034 HydrophobicContact CG1-CG 4.37Å; F654-Y1034 HydrophobicContact CD1-CD2 4.21Å; F654-Y1034 AromaticContact CD2-CD2 3.96Å; F654-Y1034 HydrophobicContact CD2-CD2 3.96Å; F654-Y1034 HydrophobicContact CE1-CD2 4.27Å; F654-Y1034 HydrophobicContact CE1-CE2 4.38Å; F654-Y1034 HydrophobicContact CE2-CD2 4.03Å; F654-Y1034 HydrophobicContact CE2-CE2 4.18Å; F654-Y1034 HydrophobicContact CG-CD2 4.04Å; F654-Y1034 HydrophobicContact CZ-CD2 4.17Å; F654-Y1034 HydrophobicContact CZ-CE2 4.07Å; L1030-Y1034 PolarHBondContact O-N 2.7Å; V1031-Y1034 WeakPolarHBondContact O-CA 3.35Å; V1031-Y1034 WeakPolarHBondContact O-CB 3.31Å; V1031-Y1034 PolarHBondContact O-N 2.8Å; Y1034-N1038 WeakPolarHBondContact CD2-ND2 3.41Å; Y1034-N1038 WeakPolarHBondContact CE2-ND2 3.19Å; Y1034-N1038 PolarHBondContact O-N 3.05Å; Y1034-N1038 PolarHBondContact O-ND2 3.23Å
1035E90.6Very high79.1Confident29 Ų2931 Ų3114%0.13615%0.145CC..Hα-helixtrans-59-52.1176.4-57-62.2168.500110.5L1001 K1015 V1031 M1032 H1037 N1038 E1039L1001-E1035 HydrophobicContact CD2-CB 3.87Å; K1015-E1035 IonicContact NZ-OE1 2.7Å; K1015-E1035 PolarHBondContact NZ-OE1 3.28Å; V1031-E1035 HydrophobicContact CG1-CG 4.39Å; V1031-E1035 WeakPolarHBondContact O-CG 3.49Å; V1031-E1035 PolarHBondContact O-N 3.38Å; M1032-E1035 PolarHBondContact O-N 3.21Å; E1035-H1037 VanDerWaalsContact C-N 3.35Å; E1035-H1037 PolarHBondContact O-N 3.09Å; E1035-N1038 CarbonylContact O-C 3.42Å; E1035-N1038 PolarHBondContact O-N 3.11Å; E1035-E1039 WeakPolarHBondContact O-CB 3.47Å; E1035-E1039 PolarHBondContact O-N 2.75Å
1036L91.3Very high77.3Confident16 Ų1633 Ų338%0.08415%0.153CC..Hα-helixtrans-58.1-40.2-177.3-70.9163.2000114L659 L691 L1001 M1002 M1032 L1033 N1038L659-L1036 HydrophobicContact CD1-CD1 4.31Å; L659-L1036 HydrophobicContact CD2-CB 4.24Å; L691-L1036 HydrophobicContact CB-CD2 4.4Å; L691-L1036 HydrophobicContact CD1-CD1 3.71Å; L691-L1036 HydrophobicContact CD1-CD2 4.3Å; L691-L1036 HydrophobicContact CD2-CD1 4.25Å; L1001-L1036 HydrophobicContact CD2-CD2 4.38Å; L1001-L1036 HydrophobicContact CD2-CG 4.49Å; M1002-L1036 HydrophobicContact CE-CD1 4.25Å; M1002-L1036 HydrophobicContact CE-CD2 4.18Å; M1002-L1036 HydrophobicContact CE-CG 4.47Å; M1002-L1036 HydrophobicContact CG-CD2 3.68Å; M1032-L1036 HydrophobicContact CE-CD1 4.33Å; M1032-L1036 HydrophobicContact CG-CD1 3.97Å; M1032-L1036 WeakPolarHBondContact O-CD1 3.42Å; M1032-L1036 WeakPolarHBondContact O-CG 3.35Å; M1032-L1036 PolarHBondContact O-N 3.42Å; M1032-L1036 VanDerWaalsContact O-N 3.08Å; L1033-L1036 HydrophobicContact CD2-CD1 4.41Å; L1036-N1038 VanDerWaalsContact C-N 3.26Å; L1036-N1038 PolarHBondContact O-N 3.32Å
1037H86.6Confident75.6Confident45 Ų4535.7 Ų35.721%0.20817%0.171CC..Hα-helixtrans-69.8-22.6177.2-91.2-84.1000113F654 T655 L659 L1033 E1035F654-H1037 HydrophobicContact CD1-CB 3.6Å; F654-H1037 AromaticContact CD1-CG 3.99Å; F654-H1037 HydrophobicContact CE1-CB 4.33Å; T655-H1037 PolarHBondContact N-NE2 2.93Å; T655-H1037 PolarHBondContact O-NE2 3.37Å; L659-H1037 VanDerWaalsContact CD2-CD2 3.47Å; L659-H1037 WeakPolarHBondContact CD2-CD2 3.33Å; L659-H1037 WeakPolarHBondContact CD2-NE2 3.33Å; L1033-H1037 WeakPolarHBondContact O-CB 3.4Å; L1033-H1037 PolarHBondContact O-CD2 2.77Å; L1033-H1037 VanDerWaalsContact O-CD2 3.25Å; L1033-H1037 PolarHBondContact O-N 3.2Å; L1033-H1037 VanDerWaalsContact O-N 3.11Å; E1035-H1037 VanDerWaalsContact C-N 3.35Å; E1035-H1037 PolarHBondContact O-N 3.09Å
1038N80.7Confident74.8Confident44 Ų4435.4 Ų35.424%0.23517%0.17CC..Hα-helixtrans-102.8-22.4-177.9-69.3-64.9000113.7Y1034 E1035 L1036 N1040 R1041Y1034-N1038 WeakPolarHBondContact CD2-ND2 3.41Å; Y1034-N1038 WeakPolarHBondContact CE2-ND2 3.19Å; Y1034-N1038 PolarHBondContact O-N 3.05Å; Y1034-N1038 PolarHBondContact O-ND2 3.23Å; E1035-N1038 CarbonylContact O-C 3.42Å; E1035-N1038 PolarHBondContact O-N 3.11Å; L1036-N1038 VanDerWaalsContact C-N 3.26Å; L1036-N1038 PolarHBondContact O-N 3.32Å; N1038-N1040 PolarHBondContact O-N 3.37Å; N1038-N1040 VanDerWaalsContact O-N 3.1Å; N1038-R1041 VanDerWaalsContact O-CB 3.3Å; N1038-R1041 WeakPolarHBondContact O-CB 3.28Å; N1038-R1041 PolarHBondContact O-N 3.17Å; N1038-R1041 WeakPolarHBondContact OD1-CD 3.24Å
1039E73.3Confident74.1Confident53 Ų5338.9 Ų38.925%0.24819%0.189CC..THydrogen-bonded Turntrans-51.7-35.5-177.3-175.5174.8-155.400114.2S999 E1000 L1001 E1035S999-E1039 VanDerWaalsContact CA-OE1 3.29Å; S999-E1039 WeakPolarHBondContact CA-OE1 3.47Å; S999-E1039 WeakPolarHBondContact CA-OE2 3.48Å; S999-E1039 WeakPolarHBondContact CB-OE2 3.28Å; S999-E1039 VanDerWaalsContact OG-CD 3.29Å; S999-E1039 PolarHBondContact OG-OE1 3.46Å; S999-E1039 PolarHBondContact OG-OE2 2.91Å; E1000-E1039 PolarHBondContact N-OE1 2.82Å; L1001-E1039 WeakPolarHBondContact CB-OE1 3.27Å; L1001-E1039 PolarHBondContact N-OE1 3.29Å; E1035-E1039 WeakPolarHBondContact O-CB 3.47Å; E1035-E1039 PolarHBondContact O-N 2.75Å
1040N54Low73.5Confident68 Ų6841.6 Ų41.636%0.36421%0.205SC..THydrogen-bonded Turntrans-108.89.6178.4-72.8-88.5000113.7N998 N1038 Q1042N998-N1040 PolarHBondContact O-ND2 3.38Å; N998-N1040 PolarHBondContact O-OD1 3.41Å; N1038-N1040 PolarHBondContact O-N 3.37Å; N1038-N1040 VanDerWaalsContact O-N 3.1Å; N1040-Q1042 WeakPolarHBondContact O-CG 3.32Å; N1040-Q1042 PolarHBondContact O-N 2.83Å
1041R50.7Low72.9Confident102 Ų10244.7 Ų44.739%0.38523%0.226SC..  trans-83.190-164.6-159167-162-112.7-8.2111.4N1038 P1043 E1066N1038-R1041 VanDerWaalsContact O-CB 3.3Å; N1038-R1041 WeakPolarHBondContact O-CB 3.28Å; N1038-R1041 PolarHBondContact O-N 3.17Å; N1038-R1041 WeakPolarHBondContact OD1-CD 3.24Å; R1041-P1043 WeakPolarHBondContact O-CD 3.45Å; R1041-P1043 VanDerWaalsContact O-CG 3.24Å; R1041-P1043 WeakPolarHBondContact O-CG 3.28Å; R1041-E1066 IonicContact NH2-OE1 3.85Å
1042Q38.6Very low71.8Confident118 Ų11848.5 Ų48.555%0.55125%0.253SS*.  trans-60101-155.9-54.2-149.9-12.700116N1040 L1044 R1115N1040-Q1042 WeakPolarHBondContact O-CG 3.32Å; N1040-Q1042 PolarHBondContact O-N 2.83Å; Q1042-L1044 PolarHBondContact O-N 2.92Å; Q1042-R1115 VanDerWaalsContact CB-CZ 3.41Å; Q1042-R1115 VanDerWaalsContact CG-CZ 3.49Å; Q1042-R1115 VanDerWaalsContact CG-NH2 3.35Å; Q1042-R1115 VanDerWaalsContact OE1-CD 3.27Å
1043P42.9Very low70.3Confident16 Ų1650.5 Ų50.510%0.10427%0.269CS..THydrogen-bonded Turntrans-82.342.6-171.6-13.231000114.7R1041 D1111 K1112R1041-P1043 WeakPolarHBondContact O-CD 3.45Å; R1041-P1043 VanDerWaalsContact O-CG 3.24Å; R1041-P1043 WeakPolarHBondContact O-CG 3.28Å; P1043-D1111 WeakPolarHBondContact CD-OD2 3.41Å; P1043-K1112 HydrophobicContact CB-CD 4.3Å; P1043-K1112 VanDerWaalsContact CB-CE 3.46Å; P1043-K1112 HydrophobicContact CB-CG 3.84Å; P1043-K1112 HydrophobicContact CG-CG 4.31Å
1044L37.7Very low68.8Low17 Ų1755 Ų559%0.08929%0.29CS..THydrogen-bonded Turntrans-126.1-29.3-170.1-133.689.5000117.7Q1042 K1112 R1115 W1116Q1042-L1044 PolarHBondContact O-N 2.92Å; L1044-K1112 HydrophobicContact CD1-CB 3.89Å; L1044-K1112 HydrophobicContact CD1-CG 4.06Å; L1044-K1112 VanDerWaalsContact CD1-O 3.26Å; L1044-K1112 WeakPolarHBondContact CD1-O 3.48Å; L1044-R1115 HydrophobicContact CB-CG 4.35Å; L1044-R1115 HydrophobicContact CD1-CB 4.26Å; L1044-R1115 HydrophobicContact CD2-CB 3.91Å; L1044-R1115 HydrophobicContact CD2-CG 3.96Å; L1044-R1115 HydrophobicContact CG-CB 4.46Å; L1044-W1116 HydrophobicContact CD1-CG 4.29Å; L1044-W1116 HydrophobicContact CD2-CD2 4.22Å; L1044-W1116 HydrophobicContact CD2-CG 4.12Å
1045M47.1Very low67.3Low65 Ų6553.3 Ų53.332%0.3229%0.285SS..  trans-146.790.3174.7-75.5-160.9131.600108.7Q1054 L1055 Y1134M1045-Q1054 HydrophobicContact CB-CB 4.49Å; M1045-Q1054 HydrophobicContact CE-CB 3.69Å; M1045-Q1054 HydrophobicContact CG-CB 4.46Å; M1045-Q1054 HydrophobicContact SD-CB 4.05Å; M1045-Q1054 HydrophobicContact SD-CG 4.46Å; M1045-Q1054 PolarHBondContact SD-OE1 2.88Å; M1045-L1055 WeakPolarHBondContact CA-O 3.28Å; M1045-Y1134 HydrophobicContact CE-CD1 4.36Å
1046Y59.9Low65.5Low41 Ų4155.9 Ų55.916%0.16130%0.297CS..EExtended strand (participates in β ladder)trans-77150.4165.5-59.1-102.2000108Q1054 L1055 P1058 D1068 I1086Y1046-Q1054 CarbonylContact O-C 3.54Å; Y1046-Q1054 WeakPolarHBondContact O-CA 3.5Å; Y1046-L1055 PolarHBondContact N-O 2.94Å; Y1046-L1055 VanDerWaalsContact N-O 3.12Å; Y1046-L1055 WeakPolarHBondContact O-CB 3.39Å; Y1046-L1055 WeakPolarHBondContact O-CG 3.38Å; Y1046-L1055 PolarHBondContact O-N 2.77Å; Y1046-P1058 HydrophobicContact CD1-CG 4.1Å; Y1046-P1058 HydrophobicContact CD2-CB 4.43Å; Y1046-P1058 HydrophobicContact CD2-CG 3.47Å; Y1046-P1058 VanDerWaalsContact CD2-CG 3.47Å; Y1046-P1058 HydrophobicContact CE1-CG 4.49Å; Y1046-P1058 HydrophobicContact CE2-CG 3.92Å; Y1046-P1058 HydrophobicContact CG-CB 4.18Å; Y1046-P1058 HydrophobicContact CG-CG 3.56Å; Y1046-D1068 VanDerWaalsContact CD1-OD1 3.24Å; Y1046-D1068 WeakPolarHBondContact CD1-OD1 3.36Å; Y1046-D1068 WeakPolarHBondContact CD1-OD2 3.25Å; Y1046-I1086 HydrophobicContact CE1-CD1 4.2Å; Y1046-I1086 HydrophobicContact CE2-CG2 4.41Å
1047T62.3Low64.3Low73 Ų7357.6 Ų57.645%0.44831%0.308SS..EExtended strand (participates in β ladder)trans-107.3126.2-179.2-38.70000108N1049T1047-N1049 PolarHBondContact O-N 3.37Å; T1047-N1049 VanDerWaalsContact O-N 3.12Å; T1047-N1049 PolarHBondContact O-OD1 3.21Å
1048C81.7Confident63.9Low0 Ų055.4 Ų55.40%030%0.298CS..BIsolated β-bridgetrans-61.9115.7175.7-173.80000109.6V1050 C1051 S1052 A1053 L1055 D1068 C1070 C1073C1048-V1050 PolarHBondContact O-N 3.18Å; C1048-C1051 VanDerWaalsContact CB-SG 3.59Å; C1048-C1051 PolarHBondContact SG-SG 2.9Å; C1048-S1052 WeakPolarHBondContact O-CA 3.23Å; C1048-S1052 PolarHBondContact O-N 3.39Å; C1048-A1053 HydrophobicContact CB-CB 4.48Å; C1048-A1053 WeakPolarHBondContact CB-O 3.01Å; C1048-A1053 PolarHBondContact N-O 3.27Å; C1048-L1055 HydrophobicContact CB-CD1 3.98Å; C1048-L1055 HydrophobicContact CB-CD2 4.44Å; C1048-L1055 HydrophobicContact CB-CG 4.46Å; C1048-D1068 CarbonylContact C-O 3.56Å; C1048-D1068 VanDerWaalsContact CA-O 3.29Å; C1048-D1068 WeakPolarHBondContact CA-O 3.4Å; C1048-C1070 HydrophobicContact CB-CB 4.19Å; C1048-C1070 PolarHBondContact SG-N 3.4Å; C1048-C1073 VanDerWaalsContact SG-CB 3.58Å; C1048-C1073 VanDerWaalsContact SG-SG 3.69Å
1049N82.8Confident64.1Low75 Ų7556.3 Ų56.340%0.40130%0.298SS..THydrogen-bonded Turntrans-64.3-8.9-176.2-6965.4000114.1T1047 E1066 Y1067 D1068T1047-N1049 PolarHBondContact O-N 3.37Å; T1047-N1049 VanDerWaalsContact O-N 3.12Å; T1047-N1049 PolarHBondContact O-OD1 3.21Å; N1049-E1066 PolarHBondContact ND2-O 2.87Å; N1049-E1066 PolarHBondContact OD1-O 2.78Å; N1049-Y1067 HydrophobicContact CB-CD2 3.66Å; N1049-Y1067 HydrophobicContact CB-CE2 3.57Å; N1049-Y1067 HydrophobicContact CB-CG 4.27Å; N1049-Y1067 WeakPolarHBondContact OD1-CA 3.28Å; N1049-D1068 PolarHBondContact N-O 2.77Å; N1049-D1068 PolarHBondContact OD1-N 2.64Å; N1049-D1068 PolarHBondContact OD1-O 2.58Å; N1049-D1068 VanDerWaalsContact OD1-O 3.13Å
1050V84.8Confident64.5Low56 Ų5654.9 Ų54.934%0.33929%0.291SS..THydrogen-bonded Turntrans-106.1-68.3-179.9173.30000110.3C1048 S1052 L1069 C1073 E1077C1048-V1050 PolarHBondContact O-N 3.18Å; V1050-S1052 PolarHBondContact O-N 2.65Å; V1050-L1069 HydrophobicContact CB-CD2 4.15Å; V1050-L1069 HydrophobicContact CG2-CD2 3.63Å; V1050-C1073 HydrophobicContact CB-CB 4.46Å; V1050-E1077 HydrophobicContact CB-CG 4.25Å; V1050-E1077 HydrophobicContact CG1-CG 3.9Å; V1050-E1077 WeakPolarHBondContact CG1-OE1 3.46Å; V1050-E1077 HydrophobicContact CG2-CG 3.81Å; V1050-E1077 VanDerWaalsContact CG2-OE2 3.31Å; V1050-E1077 WeakPolarHBondContact CG2-OE2 3.37Å
1051C84.3Confident65.8Low65 Ų6551.7 Ų51.744%0.43927%0.274SS..THydrogen-bonded Turntrans-86.72.3-177.269.90000115.2C1048 A1053 C1073C1048-C1051 VanDerWaalsContact CB-SG 3.59Å; C1048-C1051 PolarHBondContact SG-SG 2.9Å; C1051-A1053 PolarHBondContact O-N 3.47Å; C1051-A1053 VanDerWaalsContact SG-CB 3.6Å; C1051-C1073 PolarHBondContact SG-SG 3.07Å
1052S74.2Confident66.7Low86 Ų8652.8 Ų52.860%0.60128%0.282SS*.  trans55.98.4-176.3-61.60000116.3C1048 V1050C1048-S1052 WeakPolarHBondContact O-CA 3.23Å; C1048-S1052 PolarHBondContact O-N 3.39Å; V1050-S1052 PolarHBondContact O-N 2.65Å
1053A63.2Low68.2Low43 Ų4349.7 Ų49.736%0.35527%0.267SS..  trans-65.4139.8175.100000111.2C1048 C1051 L1055C1048-A1053 HydrophobicContact CB-CB 4.48Å; C1048-A1053 WeakPolarHBondContact CB-O 3.01Å; C1048-A1053 PolarHBondContact N-O 3.27Å; C1051-A1053 PolarHBondContact O-N 3.47Å; C1051-A1053 VanDerWaalsContact SG-CB 3.6Å; A1053-L1055 HydrophobicContact CB-CD2 4.31Å; A1053-L1055 WeakPolarHBondContact O-CD2 3.35Å; A1053-L1055 WeakPolarHBondContact O-CG 3.47Å
1054Q64.3Low69.6Low94 Ų9450.5 Ų50.544%0.43927%0.273SS..EExtended strand (participates in β ladder)trans-84.3139.2176.9-59.1-170.7-65.900111.3M1045 Y1046M1045-Q1054 HydrophobicContact CB-CB 4.49Å; M1045-Q1054 HydrophobicContact CE-CB 3.69Å; M1045-Q1054 HydrophobicContact CG-CB 4.46Å; M1045-Q1054 HydrophobicContact SD-CB 4.05Å; M1045-Q1054 HydrophobicContact SD-CG 4.46Å; M1045-Q1054 PolarHBondContact SD-OE1 2.88Å; Y1046-Q1054 CarbonylContact O-C 3.54Å; Y1046-Q1054 WeakPolarHBondContact O-CA 3.5Å
1055L63.3Low70.7Confident13 Ų1355.2 Ų55.27%0.06830%0.297CS..EExtended strand (participates in β ladder)trans-128.2122.1-161.2-46.6176.4000112.1M1045 Y1046 C1048 A1053 P1058 L1069 C1070M1045-L1055 WeakPolarHBondContact CA-O 3.28Å; Y1046-L1055 PolarHBondContact N-O 2.94Å; Y1046-L1055 VanDerWaalsContact N-O 3.12Å; Y1046-L1055 WeakPolarHBondContact O-CB 3.39Å; Y1046-L1055 WeakPolarHBondContact O-CG 3.38Å; Y1046-L1055 PolarHBondContact O-N 2.77Å; C1048-L1055 HydrophobicContact CB-CD1 3.98Å; C1048-L1055 HydrophobicContact CB-CD2 4.44Å; C1048-L1055 HydrophobicContact CB-CG 4.46Å; A1053-L1055 HydrophobicContact CB-CD2 4.31Å; A1053-L1055 WeakPolarHBondContact O-CD2 3.35Å; A1053-L1055 WeakPolarHBondContact O-CG 3.47Å; L1055-P1058 HydrophobicContact CB-CB 4.13Å; L1055-P1058 HydrophobicContact CD1-CB 3.75Å; L1055-L1069 VanDerWaalsContact CD1-C 3.47Å; L1055-C1070 HydrophobicContact CD1-CB 4.06Å; L1055-C1070 HydrophobicContact CD2-CB 3.26Å; L1055-C1070 HydrophobicContact CG-CB 4.3Å
1056E52.9Low71.6Confident84 Ų8458.2 Ų58.239%0.39331%0.31SS..SBendtrans-80.3-26.5166.2-76.1171.6-163.700112.2W1116E1056-W1116 HydrophobicContact CG-CZ2 4.31Å; E1056-W1116 VanDerWaalsContact OE1-CH2 3.23Å; E1056-W1116 WeakPolarHBondContact OE1-CH2 3.12Å
1057T65.1Low72.7Confident51 Ų5158.5 Ų58.531%0.31331%0.311SS..SBendtrans-134.776.1176.555.50000111.3I1086T1057-I1086 WeakPolarHBondContact CA-O 3.24Å
1058P77.2Confident73.8Confident0 Ų055.4 Ų55.40%029%0.292CS..  trans-70.2162.4174.736.8-42000111.1Y1046 L1055 D1068 L1069 K1085 I1086Y1046-P1058 HydrophobicContact CD1-CG 4.1Å; Y1046-P1058 HydrophobicContact CD2-CB 4.43Å; Y1046-P1058 HydrophobicContact CD2-CG 3.47Å; Y1046-P1058 VanDerWaalsContact CD2-CG 3.47Å; Y1046-P1058 HydrophobicContact CE1-CG 4.49Å; Y1046-P1058 HydrophobicContact CE2-CG 3.92Å; Y1046-P1058 HydrophobicContact CG-CB 4.18Å; Y1046-P1058 HydrophobicContact CG-CG 3.56Å; L1055-P1058 HydrophobicContact CB-CB 4.13Å; L1055-P1058 HydrophobicContact CD1-CB 3.75Å; P1058-D1068 HydrophobicContact CB-CB 4.06Å; P1058-D1068 WeakPolarHBondContact CB-OD1 3.31Å; P1058-L1069 WeakPolarHBondContact CA-O 3.24Å; P1058-K1085 CarbonylContact O-C 3.58Å; P1058-K1085 VanDerWaalsContact O-CA 3.28Å; P1058-K1085 WeakPolarHBondContact O-CA 3.4Å; P1058-I1086 HydrophobicContact CG-CB 4.1Å; P1058-I1086 PolarHBondContact O-N 3.28Å
1059W84.9Confident74Confident62 Ų6255.4 Ų55.424%0.23529%0.292CS..EExtended strand (participates in β ladder)trans-84.6120.6144.5-66.489000107.5D1068 L1069 Y1074 M1083 K1085W1059-D1068 CarbonylContact O-C 3.56Å; W1059-D1068 VanDerWaalsContact O-CA 3.3Å; W1059-D1068 WeakPolarHBondContact O-CA 3.44Å; W1059-L1069 PolarHBondContact N-O 3.1Å; W1059-L1069 PolarHBondContact O-N 3.32Å; W1059-Y1074 HydrophobicContact CB-CD2 3.68Å; W1059-Y1074 HydrophobicContact CB-CE2 4.33Å; W1059-Y1074 HydrophobicContact CB-CG 3.91Å; W1059-Y1074 AromaticContact CD1-CD1 3.69Å; W1059-Y1074 AromaticContact CD1-CG 3.42Å; W1059-Y1074 VanDerWaalsContact CD1-CG 3.42Å; W1059-Y1074 AromaticContact CD2-CD1 3.59Å; W1059-Y1074 HydrophobicContact CD2-CD1 3.59Å; W1059-Y1074 AromaticContact CD2-CD2 3.81Å; W1059-Y1074 HydrophobicContact CD2-CD2 3.81Å; W1059-Y1074 AromaticContact CD2-CE1 3.68Å; W1059-Y1074 HydrophobicContact CD2-CE1 3.68Å; W1059-Y1074 AromaticContact CD2-CE2 3.9Å; W1059-Y1074 HydrophobicContact CD2-CE2 3.9Å; W1059-Y1074 AromaticContact CD2-CG 3.64Å; W1059-Y1074 HydrophobicContact CD2-CG 3.64Å; W1059-Y1074 AromaticContact CD2-CZ 3.83Å; W1059-Y1074 AromaticContact CE2-CD1 3.36Å; W1059-Y1074 AromaticContact CE2-CE1 3.53Å; W1059-Y1074 AromaticContact CE2-CG 3.85Å; W1059-Y1074 HydrophobicContact CE3-CD1 4.23Å; W1059-Y1074 HydrophobicContact CE3-CD2 4.16Å; W1059-Y1074 AromaticContact CE3-CE1 3.85Å; W1059-Y1074 HydrophobicContact CE3-CE1 3.85Å; W1059-Y1074 AromaticContact CE3-CE2 3.78Å; W1059-Y1074 HydrophobicContact CE3-CE2 3.78Å; W1059-Y1074 HydrophobicContact CE3-CG 4.36Å; W1059-Y1074 AromaticContact CE3-CZ 3.6Å; W1059-Y1074 AromaticContact CG-CD1 3.81Å; W1059-Y1074 HydrophobicContact CG-CD1 3.81Å; W1059-Y1074 AromaticContact CG-CD2 3.59Å; W1059-Y1074 HydrophobicContact CG-CD2 3.59Å; W1059-Y1074 HydrophobicContact CG-CE1 4.33Å; W1059-Y1074 HydrophobicContact CG-CE2 4.15Å; W1059-Y1074 AromaticContact CG-CG 3.38Å; W1059-Y1074 HydrophobicContact CG-CG 3.38Å; W1059-Y1074 HydrophobicContact CH2-CD1 4.45Å; W1059-Y1074 AromaticContact CH2-CE1 3.78Å; W1059-Y1074 HydrophobicContact CH2-CE1 3.78Å; W1059-Y1074 AromaticContact CZ2-CD1 3.84Å; W1059-Y1074 HydrophobicContact CZ2-CD1 3.84Å; W1059-Y1074 AromaticContact CZ2-CE1 3.6Å; W1059-Y1074 HydrophobicContact CZ2-CE1 3.6Å; W1059-Y1074 AromaticContact CZ3-CE1 3.9Å; W1059-Y1074 HydrophobicContact CZ3-CE1 3.9Å; W1059-Y1074 HydrophobicContact CZ3-CE2 4.38Å; W1059-Y1074 AromaticContact CZ3-CZ 3.75Å; W1059-Y1074 AromaticContact NE1-CD1 3.39Å; W1059-Y1074 AromaticContact NE1-CG 3.67Å; W1059-M1083 HydrophobicContact CB-CB 3.99Å; W1059-M1083 HydrophobicContact CB-CE 4.25Å; W1059-M1083 HydrophobicContact CB-SD 4.37Å; W1059-M1083 HydrophobicContact CE3-CB 4.4Å; W1059-M1083 WeakPolarHBondContact O-CE 3.47Å; W1059-K1085 HydrophobicContact CD2-CB 4.07Å; W1059-K1085 HydrophobicContact CE3-CB 4.02Å; W1059-K1085 HydrophobicContact CH2-CB 4.2Å; W1059-K1085 HydrophobicContact CZ2-CB 4.24Å; W1059-K1085 HydrophobicContact CZ3-CB 4.09Å
1060H82.4Confident74.1Confident24 Ų2452.5 Ų52.511%0.11128%0.277CS..EExtended strand (participates in β ladder)trans-105.6127.5-179.6-175.568.8000110.8K1062 D1068 M1083 V1084 I1086H1060-K1062 PolarHBondContact O-N 2.86Å; H1060-D1068 WeakPolarHBondContact CA-OD1 3.39Å; H1060-D1068 VanDerWaalsContact CB-OD1 3.24Å; H1060-D1068 WeakPolarHBondContact CB-OD1 3.41Å; H1060-D1068 IonicContact CE1-OD1 3.14Å; H1060-D1068 IonicContact CE1-OD2 3.56Å; H1060-D1068 IonicContact CG-OD1 3.92Å; H1060-D1068 IonicContact ND1-OD1 3.81Å; H1060-D1068 PolarHBondContact ND1-OD1 3.25Å; H1060-D1068 IonicContact ND1-OD2 3.62Å; H1060-D1068 PolarHBondContact ND1-OD2 3.44Å; H1060-M1083 CarbonylContact O-C 3.47Å; H1060-M1083 VanDerWaalsContact O-CA 3.29Å; H1060-M1083 WeakPolarHBondContact O-CA 3.39Å; H1060-V1084 PolarHBondContact N-O 2.76Å; H1060-V1084 PolarHBondContact O-N 3.46Å; H1060-I1086 HydrophobicContact CB-CD1 3.43Å; H1060-I1086 VanDerWaalsContact CB-CD1 3.43Å; H1060-I1086 HydrophobicContact CB-CG1 3.85Å
1061C81.8Confident74.1Confident0 Ų052.3 Ų52.30%028%0.278CS..EExtended strand (participates in β ladder)trans-80.6115.7174.1179.10000110.6Q1063 C1064 Y1067 H1079 H1081 M1083C1061-Q1063 PolarHBondContact O-N 3.15Å; C1061-Q1063 PolarHBondContact SG-N 2.86Å; C1061-Q1063 VanDerWaalsContact SG-N 3.4Å; C1061-C1064 HydrophobicContact CB-CB 4.1Å; C1061-C1064 PolarHBondContact SG-N 3.26Å; C1061-Y1067 HydrophobicContact CB-CD1 4.39Å; C1061-Y1067 WeakPolarHBondContact CB-O 3.31Å; C1061-Y1067 PolarHBondContact N-O 2.88Å; C1061-H1079 PolarHBondContact SG-NE2 3.07Å; C1061-H1081 WeakPolarHBondContact SG-CB 3.39Å; C1061-M1083 HydrophobicContact CB-CE 3.8Å; C1061-M1083 HydrophobicContact CB-CG 4.03Å
1062K68.5Low74.1Confident125 Ų12558.7 Ų58.754%0.54329%0.292SS..SBendtrans-66.6-23.3176.3-71.5-175.9171.8-178.30113.3P633 H1060 V1084P633-K1062 HydrophobicContact CB-CD 4.49Å; P633-K1062 HydrophobicContact CG-CB 4.42Å; P633-K1062 HydrophobicContact CG-CD 4.31Å; H1060-K1062 PolarHBondContact O-N 2.86Å; K1062-V1084 HydrophobicContact CD-CG2 4.23Å
1063Q70.8Confident74.7Confident53 Ų5355.1 Ų55.125%0.24827%0.267CS..SBendtrans-95.3-28.5-174.1-70.5174-1800113.7D634 R653 C1061 H1081D634-Q1063 PolarHBondContact OD1-NE2 3.47Å; D634-Q1063 PolarHBondContact OD2-NE2 3.39Å; R653-Q1063 VanDerWaalsContact CZ-O 3.24Å; R653-Q1063 PolarHBondContact NH1-O 3.19Å; R653-Q1063 PolarHBondContact NH2-O 3.4Å; C1061-Q1063 PolarHBondContact O-N 3.15Å; C1061-Q1063 PolarHBondContact SG-N 2.86Å; C1061-Q1063 VanDerWaalsContact SG-N 3.4Å; Q1063-H1081 HydrophobicContact CB-CB 4.09Å; Q1063-H1081 VanDerWaalsContact OE1-CB 3.22Å; Q1063-H1081 PolarHBondContact OE1-CD2 3.42Å; Q1063-H1081 VanDerWaalsContact OE1-CG 3.29Å
1064C73.1Confident76Confident33 Ų3357.2 Ų57.222%0.22327%0.267CS..SBendtrans-85.7164.2173.4-780000111.9R653 C1061 Y1067 H1079 H1081R653-C1064 PolarHBondContact NH1-O 3.44Å; C1061-C1064 HydrophobicContact CB-CB 4.1Å; C1061-C1064 PolarHBondContact SG-N 3.26Å; C1064-Y1067 VanDerWaalsContact CB-CB 3.47Å; C1064-Y1067 HydrophobicContact CB-CG 4.3Å; C1064-H1079 VanDerWaalsContact SG-CE1 3.58Å; C1064-H1081 PolarHBondContact SG-ND1 3.22Å
1065I61.2Low77Confident116 Ų11659.8 Ų59.860%0.59528%0.279SS*.SBendtrans-90.4121.3170.6-61.7177.7000106.9Y1067I1065-Y1067 PolarHBondContact O-N 3.41Å; I1065-Y1067 VanDerWaalsContact O-N 3.14Å
1066E65.4Low78.2Confident128 Ų12863.8 Ų63.860%0.59830%0.304SS*.SBendtrans50.144.3171.1-62.4176.717700112.7R1041 N1049R1041-E1066 IonicContact NH2-OE1 3.85Å; N1049-E1066 PolarHBondContact ND2-O 2.87Å; N1049-E1066 PolarHBondContact OD1-O 2.78Å
1067Y81.7Confident79.3Confident47 Ų4763.6 Ų63.618%0.18430%0.303CS..  trans-111.5105.6177.1-163.1-82.3000110.5N1049 C1061 C1064 I1065 L1069 H1079 M1083N1049-Y1067 HydrophobicContact CB-CD2 3.66Å; N1049-Y1067 HydrophobicContact CB-CE2 3.57Å; N1049-Y1067 HydrophobicContact CB-CG 4.27Å; N1049-Y1067 WeakPolarHBondContact OD1-CA 3.28Å; C1061-Y1067 HydrophobicContact CB-CD1 4.39Å; C1061-Y1067 WeakPolarHBondContact CB-O 3.31Å; C1061-Y1067 PolarHBondContact N-O 2.88Å; C1064-Y1067 VanDerWaalsContact CB-CB 3.47Å; C1064-Y1067 HydrophobicContact CB-CG 4.3Å; I1065-Y1067 PolarHBondContact O-N 3.41Å; I1065-Y1067 VanDerWaalsContact O-N 3.14Å; Y1067-L1069 HydrophobicContact CD1-CG 4.46Å; Y1067-L1069 HydrophobicContact CE1-CD1 4.02Å; Y1067-L1069 HydrophobicContact CE1-CD2 3.82Å; Y1067-L1069 HydrophobicContact CE1-CG 3.77Å; Y1067-H1079 AromaticContact CD1-CE1 3.37Å; Y1067-H1079 WeakPolarHBondContact CD1-CE1 3.44Å; Y1067-H1079 AromaticContact CD1-ND1 3.53Å; Y1067-H1079 AromaticContact CD1-NE2 3.85Å; Y1067-H1079 HydrophobicContact CE1-CB 4.29Å; Y1067-H1079 AromaticContact CE1-CE1 3.43Å; Y1067-H1079 VanDerWaalsContact CE1-CE1 3.43Å; Y1067-H1079 WeakPolarHBondContact CE1-CE1 3.17Å; Y1067-H1079 AromaticContact CE1-CG 3.65Å; Y1067-H1079 AromaticContact CE1-ND1 3.06Å; Y1067-H1079 WeakPolarHBondContact CE1-ND1 3.46Å; Y1067-H1079 AromaticContact CG-CE1 3.84Å; Y1067-H1079 AromaticContact CZ-CE1 3.93Å; Y1067-H1079 AromaticContact CZ-ND1 3.5Å; Y1067-M1083 HydrophobicContact CD1-CE 3.97Å; Y1067-M1083 HydrophobicContact CE1-CE 4.37Å; Y1067-M1083 WeakPolarHBondContact O-CE 3.26Å
1068D85.7Confident80.1Confident8 Ų868.8 Ų68.84%0.04333%0.329CS..EExtended strand (participates in β ladder)trans-125.8141.7-174.9-74.8-86.3000109.7Y1046 C1048 N1049 P1058 W1059 H1060Y1046-D1068 VanDerWaalsContact CD1-OD1 3.24Å; Y1046-D1068 WeakPolarHBondContact CD1-OD1 3.36Å; Y1046-D1068 WeakPolarHBondContact CD1-OD2 3.25Å; C1048-D1068 CarbonylContact C-O 3.56Å; C1048-D1068 VanDerWaalsContact CA-O 3.29Å; C1048-D1068 WeakPolarHBondContact CA-O 3.4Å; N1049-D1068 PolarHBondContact N-O 2.77Å; N1049-D1068 PolarHBondContact OD1-N 2.64Å; N1049-D1068 PolarHBondContact OD1-O 2.58Å; N1049-D1068 VanDerWaalsContact OD1-O 3.13Å; P1058-D1068 HydrophobicContact CB-CB 4.06Å; P1058-D1068 WeakPolarHBondContact CB-OD1 3.31Å; W1059-D1068 CarbonylContact O-C 3.56Å; W1059-D1068 VanDerWaalsContact O-CA 3.3Å; W1059-D1068 WeakPolarHBondContact O-CA 3.44Å; H1060-D1068 WeakPolarHBondContact CA-OD1 3.39Å; H1060-D1068 VanDerWaalsContact CB-OD1 3.24Å; H1060-D1068 WeakPolarHBondContact CB-OD1 3.41Å; H1060-D1068 IonicContact CE1-OD1 3.14Å; H1060-D1068 IonicContact CE1-OD2 3.56Å; H1060-D1068 IonicContact CG-OD1 3.92Å; H1060-D1068 IonicContact ND1-OD1 3.81Å; H1060-D1068 PolarHBondContact ND1-OD1 3.25Å; H1060-D1068 IonicContact ND1-OD2 3.62Å; H1060-D1068 PolarHBondContact ND1-OD2 3.44Å
1069L85.8Confident80.4Confident0 Ų070.5 Ų70.50%034%0.337CS..EExtended strand (participates in β ladder)trans-124.5141177.7-66.6-178.3000111V1050 L1055 P1058 W1059 Y1067 C1073 E1077 H1079 M1083V1050-L1069 HydrophobicContact CB-CD2 4.15Å; V1050-L1069 HydrophobicContact CG2-CD2 3.63Å; L1055-L1069 VanDerWaalsContact CD1-C 3.47Å; P1058-L1069 WeakPolarHBondContact CA-O 3.24Å; W1059-L1069 PolarHBondContact N-O 3.1Å; W1059-L1069 PolarHBondContact O-N 3.32Å; Y1067-L1069 HydrophobicContact CD1-CG 4.46Å; Y1067-L1069 HydrophobicContact CE1-CD1 4.02Å; Y1067-L1069 HydrophobicContact CE1-CD2 3.82Å; Y1067-L1069 HydrophobicContact CE1-CG 3.77Å; L1069-C1073 HydrophobicContact CB-CB 4.31Å; L1069-C1073 HydrophobicContact CD2-CB 4.06Å; L1069-E1077 HydrophobicContact CD1-CB 3.99Å; L1069-H1079 HydrophobicContact CD1-CB 4.24Å; L1069-M1083 HydrophobicContact CB-CE 4.14Å; L1069-M1083 HydrophobicContact CB-SD 4.43Å; L1069-M1083 HydrophobicContact CD1-CE 4.21Å; L1069-M1083 HydrophobicContact CD1-SD 3.71Å; L1069-M1083 HydrophobicContact CG-CE 3.9Å; L1069-M1083 HydrophobicContact CG-SD 4.08Å
1070C85.5Confident80.1Confident14 Ų1472.9 Ų72.910%0.09536%0.36CS..  trans-69.5158.916986.20000109.7C1048 L1055 R1072 C1073 Y1074C1048-C1070 HydrophobicContact CB-CB 4.19Å; C1048-C1070 PolarHBondContact SG-N 3.4Å; L1055-C1070 HydrophobicContact CD1-CB 4.06Å; L1055-C1070 HydrophobicContact CD2-CB 3.26Å; L1055-C1070 HydrophobicContact CG-CB 4.3Å; C1070-R1072 VanDerWaalsContact C-N 3.26Å; C1070-R1072 PolarHBondContact O-N 2.94Å; C1070-R1072 VanDerWaalsContact O-N 3.16Å; C1070-C1073 CarbonylContact O-C 3.59Å; C1070-C1073 PolarHBondContact O-N 3.26Å; C1070-C1073 PolarHBondContact SG-N 3.02Å; C1070-C1073 VanDerWaalsContact SG-SG 3.61Å; C1070-Y1074 PolarHBondContact O-N 3.2Å
1071P84.3Confident80.1Confident53 Ų5375 Ų7534%0.34437%0.37SS..Hα-helixtrans-49.3-44.7179.9-3136.7000113.9Y1074 E1075P1071-Y1074 PolarHBondContact O-N 2.79Å; P1071-E1075 VanDerWaalsContact O-CG 3.31Å; P1071-E1075 WeakPolarHBondContact O-CG 3.26Å; P1071-E1075 PolarHBondContact O-N 2.96Å; P1071-E1075 VanDerWaalsContact O-N 3.13Å
1072R84.2Confident79.8Confident198 Ų19879.5 Ų79.575%0.74740%0.399SS*.Hα-helixtrans-64.3-44.3175.3-65.8-178.3179.1176-1.9113.3C1070 Y1074 E1075 T1076C1070-R1072 VanDerWaalsContact C-N 3.26Å; C1070-R1072 PolarHBondContact O-N 2.94Å; C1070-R1072 VanDerWaalsContact O-N 3.16Å; R1072-Y1074 VanDerWaalsContact C-N 3.32Å; R1072-E1075 WeakPolarHBondContact O-CB 3.45Å; R1072-E1075 PolarHBondContact O-N 2.92Å; R1072-T1076 PolarHBondContact O-N 3.25Å; R1072-T1076 VanDerWaalsContact O-N 3.08Å; R1072-T1076 PolarHBondContact O-OG1 2.74Å
1073C88.1Confident80.5Confident12 Ų1274.2 Ų74.28%0.08138%0.376CS..Hα-helixtrans-71.7-28.7-179.7-710000111.9C1048 V1050 C1051 L1069 C1070 E1075 T1076 E1077C1048-C1073 VanDerWaalsContact SG-CB 3.58Å; C1048-C1073 VanDerWaalsContact SG-SG 3.69Å; V1050-C1073 HydrophobicContact CB-CB 4.46Å; C1051-C1073 PolarHBondContact SG-SG 3.07Å; L1069-C1073 HydrophobicContact CB-CB 4.31Å; L1069-C1073 HydrophobicContact CD2-CB 4.06Å; C1070-C1073 CarbonylContact O-C 3.59Å; C1070-C1073 PolarHBondContact O-N 3.26Å; C1070-C1073 PolarHBondContact SG-N 3.02Å; C1070-C1073 VanDerWaalsContact SG-SG 3.61Å; C1073-E1075 VanDerWaalsContact C-N 3.3Å; C1073-T1076 WeakPolarHBondContact CA-OG1 3.45Å; C1073-T1076 PolarHBondContact O-N 2.87Å; C1073-T1076 PolarHBondContact O-OG1 2.88Å; C1073-E1077 HydrophobicContact CB-CG 4.39Å; C1073-E1077 WeakPolarHBondContact O-CA 3.14Å; C1073-E1077 WeakPolarHBondContact O-CB 3.07Å; C1073-E1077 VanDerWaalsContact O-CG 3.32Å; C1073-E1077 WeakPolarHBondContact O-CG 3.39Å; C1073-E1077 PolarHBondContact O-N 2.99Å
1074Y89.8Confident80.8Confident87 Ų8774.9 Ų74.934%0.34138%0.384SS..Hα-helixtrans-67.5-31.8170.4175.5-100.2000112.2W1059 C1070 P1071 R1072 M1083W1059-Y1074 HydrophobicContact CB-CD2 3.68Å; W1059-Y1074 HydrophobicContact CB-CE2 4.33Å; W1059-Y1074 HydrophobicContact CB-CG 3.91Å; W1059-Y1074 AromaticContact CD1-CD1 3.69Å; W1059-Y1074 AromaticContact CD1-CG 3.42Å; W1059-Y1074 VanDerWaalsContact CD1-CG 3.42Å; W1059-Y1074 AromaticContact CD2-CD1 3.59Å; W1059-Y1074 HydrophobicContact CD2-CD1 3.59Å; W1059-Y1074 AromaticContact CD2-CD2 3.81Å; W1059-Y1074 HydrophobicContact CD2-CD2 3.81Å; W1059-Y1074 AromaticContact CD2-CE1 3.68Å; W1059-Y1074 HydrophobicContact CD2-CE1 3.68Å; W1059-Y1074 AromaticContact CD2-CE2 3.9Å; W1059-Y1074 HydrophobicContact CD2-CE2 3.9Å; W1059-Y1074 AromaticContact CD2-CG 3.64Å; W1059-Y1074 HydrophobicContact CD2-CG 3.64Å; W1059-Y1074 AromaticContact CD2-CZ 3.83Å; W1059-Y1074 AromaticContact CE2-CD1 3.36Å; W1059-Y1074 AromaticContact CE2-CE1 3.53Å; W1059-Y1074 AromaticContact CE2-CG 3.85Å; W1059-Y1074 HydrophobicContact CE3-CD1 4.23Å; W1059-Y1074 HydrophobicContact CE3-CD2 4.16Å; W1059-Y1074 AromaticContact CE3-CE1 3.85Å; W1059-Y1074 HydrophobicContact CE3-CE1 3.85Å; W1059-Y1074 AromaticContact CE3-CE2 3.78Å; W1059-Y1074 HydrophobicContact CE3-CE2 3.78Å; W1059-Y1074 HydrophobicContact CE3-CG 4.36Å; W1059-Y1074 AromaticContact CE3-CZ 3.6Å; W1059-Y1074 AromaticContact CG-CD1 3.81Å; W1059-Y1074 HydrophobicContact CG-CD1 3.81Å; W1059-Y1074 AromaticContact CG-CD2 3.59Å; W1059-Y1074 HydrophobicContact CG-CD2 3.59Å; W1059-Y1074 HydrophobicContact CG-CE1 4.33Å; W1059-Y1074 HydrophobicContact CG-CE2 4.15Å; W1059-Y1074 AromaticContact CG-CG 3.38Å; W1059-Y1074 HydrophobicContact CG-CG 3.38Å; W1059-Y1074 HydrophobicContact CH2-CD1 4.45Å; W1059-Y1074 AromaticContact CH2-CE1 3.78Å; W1059-Y1074 HydrophobicContact CH2-CE1 3.78Å; W1059-Y1074 AromaticContact CZ2-CD1 3.84Å; W1059-Y1074 HydrophobicContact CZ2-CD1 3.84Å; W1059-Y1074 AromaticContact CZ2-CE1 3.6Å; W1059-Y1074 HydrophobicContact CZ2-CE1 3.6Å; W1059-Y1074 AromaticContact CZ3-CE1 3.9Å; W1059-Y1074 HydrophobicContact CZ3-CE1 3.9Å; W1059-Y1074 HydrophobicContact CZ3-CE2 4.38Å; W1059-Y1074 AromaticContact CZ3-CZ 3.75Å; W1059-Y1074 AromaticContact NE1-CD1 3.39Å; W1059-Y1074 AromaticContact NE1-CG 3.67Å; C1070-Y1074 PolarHBondContact O-N 3.2Å; P1071-Y1074 PolarHBondContact O-N 2.79Å; R1072-Y1074 VanDerWaalsContact C-N 3.32Å; Y1074-M1083 HydrophobicContact CD2-CB 4.24Å; Y1074-M1083 HydrophobicContact CD2-CG 4.44Å; Y1074-M1083 HydrophobicContact CD2-SD 3.86Å; Y1074-M1083 HydrophobicContact CE2-CB 3.89Å; Y1074-M1083 HydrophobicContact CE2-CG 4.25Å; Y1074-M1083 HydrophobicContact CE2-SD 4.24Å
1075E85.9Confident81.1Confident148 Ų14878.3 Ų78.369%0.69240%0.395SS*.Hα-helixtrans-75.3-26.1174.4-70.1159.9-176.600113.2P1071 R1072 C1073P1071-E1075 VanDerWaalsContact O-CG 3.31Å; P1071-E1075 WeakPolarHBondContact O-CG 3.26Å; P1071-E1075 PolarHBondContact O-N 2.96Å; P1071-E1075 VanDerWaalsContact O-N 3.13Å; R1072-E1075 WeakPolarHBondContact O-CB 3.45Å; R1072-E1075 PolarHBondContact O-N 2.92Å; C1073-E1075 VanDerWaalsContact C-N 3.3Å
1076T88.6Confident81.1Confident97 Ų9774.8 Ų74.860%0.59538%0.377SS*.Hα-helixtrans-100.5-35.6-179.860.20000114.6R1072 C1073R1072-T1076 PolarHBondContact O-N 3.25Å; R1072-T1076 VanDerWaalsContact O-N 3.08Å; R1072-T1076 PolarHBondContact O-OG1 2.74Å; C1073-T1076 WeakPolarHBondContact CA-OG1 3.45Å; C1073-T1076 PolarHBondContact O-N 2.87Å; C1073-T1076 PolarHBondContact O-OG1 2.88Å
1077E76.3Confident80.4Confident79 Ų7970.4 Ų70.437%0.36937%0.366SS..SBendtrans-96.8101.4-175.8-56.8-91.8140.200108.4V1050 L1069 C1073 H1079V1050-E1077 HydrophobicContact CB-CG 4.25Å; V1050-E1077 HydrophobicContact CG1-CG 3.9Å; V1050-E1077 WeakPolarHBondContact CG1-OE1 3.46Å; V1050-E1077 HydrophobicContact CG2-CG 3.81Å; V1050-E1077 VanDerWaalsContact CG2-OE2 3.31Å; V1050-E1077 WeakPolarHBondContact CG2-OE2 3.37Å; L1069-E1077 HydrophobicContact CD1-CB 3.99Å; C1073-E1077 HydrophobicContact CB-CG 4.39Å; C1073-E1077 WeakPolarHBondContact O-CA 3.14Å; C1073-E1077 WeakPolarHBondContact O-CB 3.07Å; C1073-E1077 VanDerWaalsContact O-CG 3.32Å; C1073-E1077 WeakPolarHBondContact O-CG 3.39Å; C1073-E1077 PolarHBondContact O-N 2.99Å; E1077-H1079 PolarHBondContact O-N 2.82Å
1078N80.3Confident78.5Confident160 Ų16070.3 Ų70.386%0.85637%0.368SS*.  trans-68.970.7174.7-77.6-59.8000111
1079H84.5Confident76.2Confident37 Ų3772.6 Ų72.617%0.17139%0.394CS..  trans-61.7127.1177.2-171.973.6000109.5C1061 C1064 Y1067 L1069 E1077 H1081 M1083C1061-H1079 PolarHBondContact SG-NE2 3.07Å; C1064-H1079 VanDerWaalsContact SG-CE1 3.58Å; Y1067-H1079 AromaticContact CD1-CE1 3.37Å; Y1067-H1079 WeakPolarHBondContact CD1-CE1 3.44Å; Y1067-H1079 AromaticContact CD1-ND1 3.53Å; Y1067-H1079 AromaticContact CD1-NE2 3.85Å; Y1067-H1079 HydrophobicContact CE1-CB 4.29Å; Y1067-H1079 AromaticContact CE1-CE1 3.43Å; Y1067-H1079 VanDerWaalsContact CE1-CE1 3.43Å; Y1067-H1079 WeakPolarHBondContact CE1-CE1 3.17Å; Y1067-H1079 AromaticContact CE1-CG 3.65Å; Y1067-H1079 AromaticContact CE1-ND1 3.06Å; Y1067-H1079 WeakPolarHBondContact CE1-ND1 3.46Å; Y1067-H1079 AromaticContact CG-CE1 3.84Å; Y1067-H1079 AromaticContact CZ-CE1 3.93Å; Y1067-H1079 AromaticContact CZ-ND1 3.5Å; L1069-H1079 HydrophobicContact CD1-CB 4.24Å; E1077-H1079 PolarHBondContact O-N 2.82Å; H1079-H1081 AromaticContact CE1-ND1 3.91Å; H1079-H1081 AromaticContact NE2-CG 3.86Å; H1079-H1081 AromaticContact NE2-ND1 3.27Å; H1079-H1081 PolarHBondContact NE2-ND1 2.91Å; H1079-H1081 PolarHBondContact O-N 3.45Å; H1079-M1083 HydrophobicContact CB-SD 3.89Å
1080P78.3Confident74Confident111 Ų11177.5 Ų77.572%0.72142%0.419SS*.SBendtrans-71.5-4.4-167.127.8-36.9000114.9
1081H81.6Confident71.5Confident69 Ų6983.4 Ų83.432%0.31945%0.45SS..SBendtrans-115.2145.7-176-56.4127.7000111.5C1061 Q1063 C1064 H1079 M1083C1061-H1081 WeakPolarHBondContact SG-CB 3.39Å; Q1063-H1081 HydrophobicContact CB-CB 4.09Å; Q1063-H1081 VanDerWaalsContact OE1-CB 3.22Å; Q1063-H1081 PolarHBondContact OE1-CD2 3.42Å; Q1063-H1081 VanDerWaalsContact OE1-CG 3.29Å; C1064-H1081 PolarHBondContact SG-ND1 3.22Å; H1079-H1081 AromaticContact CE1-ND1 3.91Å; H1079-H1081 AromaticContact NE2-CG 3.86Å; H1079-H1081 AromaticContact NE2-ND1 3.27Å; H1079-H1081 PolarHBondContact NE2-ND1 2.91Å; H1079-H1081 PolarHBondContact O-N 3.45Å; H1081-M1083 WeakPolarHBondContact O-CG 3.5Å; H1081-M1083 PolarHBondContact O-N 2.82Å
1082P76Confident69.1Low94 Ų9486.7 Ų86.761%0.6147%0.465SS*.  trans-59.2124.9177-23.534.2000112.8
1083M83.4Confident66.7Low14 Ų1482.6 Ų82.67%0.06947%0.465CS..EExtended strand (participates in β ladder)trans-107.1146.1176.2-51.2-170.777.300110.9W1059 H1060 C1061 Y1067 L1069 Y1074 H1079 H1081W1059-M1083 HydrophobicContact CB-CB 3.99Å; W1059-M1083 HydrophobicContact CB-CE 4.25Å; W1059-M1083 HydrophobicContact CB-SD 4.37Å; W1059-M1083 HydrophobicContact CE3-CB 4.4Å; W1059-M1083 WeakPolarHBondContact O-CE 3.47Å; H1060-M1083 CarbonylContact O-C 3.47Å; H1060-M1083 VanDerWaalsContact O-CA 3.29Å; H1060-M1083 WeakPolarHBondContact O-CA 3.39Å; C1061-M1083 HydrophobicContact CB-CE 3.8Å; C1061-M1083 HydrophobicContact CB-CG 4.03Å; Y1067-M1083 HydrophobicContact CD1-CE 3.97Å; Y1067-M1083 HydrophobicContact CE1-CE 4.37Å; Y1067-M1083 WeakPolarHBondContact O-CE 3.26Å; L1069-M1083 HydrophobicContact CB-CE 4.14Å; L1069-M1083 HydrophobicContact CB-SD 4.43Å; L1069-M1083 HydrophobicContact CD1-CE 4.21Å; L1069-M1083 HydrophobicContact CD1-SD 3.71Å; L1069-M1083 HydrophobicContact CG-CE 3.9Å; L1069-M1083 HydrophobicContact CG-SD 4.08Å; Y1074-M1083 HydrophobicContact CD2-CB 4.24Å; Y1074-M1083 HydrophobicContact CD2-CG 4.44Å; Y1074-M1083 HydrophobicContact CD2-SD 3.86Å; Y1074-M1083 HydrophobicContact CE2-CB 3.89Å; Y1074-M1083 HydrophobicContact CE2-CG 4.25Å; Y1074-M1083 HydrophobicContact CE2-SD 4.24Å; H1079-M1083 HydrophobicContact CB-SD 3.89Å; H1081-M1083 WeakPolarHBondContact O-CG 3.5Å; H1081-M1083 PolarHBondContact O-N 2.82Å
1084V78Confident63.8Low67 Ų6789.5 Ų89.541%0.40650%0.501SS..EExtended strand (participates in β ladder)trans-117.4128.5-179.6179.70000109.4H1060 K1062 I1086H1060-V1084 PolarHBondContact N-O 2.76Å; H1060-V1084 PolarHBondContact O-N 3.46Å; K1062-V1084 HydrophobicContact CD-CG2 4.23Å; V1084-I1086 PolarHBondContact O-N 3.02Å
1085K78.3Confident60.7Low105 Ų10592.5 Ų92.546%0.45752%0.516SS..EExtended strand (participates in β ladder)trans-68111.8175.9-172-174176.8-167.80110.2P1058 W1059 G1087P1058-K1085 CarbonylContact O-C 3.58Å; P1058-K1085 VanDerWaalsContact O-CA 3.28Å; P1058-K1085 WeakPolarHBondContact O-CA 3.4Å; W1059-K1085 HydrophobicContact CD2-CB 4.07Å; W1059-K1085 HydrophobicContact CE3-CB 4.02Å; W1059-K1085 HydrophobicContact CH2-CB 4.2Å; W1059-K1085 HydrophobicContact CZ2-CB 4.24Å; W1059-K1085 HydrophobicContact CZ3-CB 4.09Å; K1085-G1087 PolarHBondContact O-N 3.37Å
1086I61.7Low57.8Low43 Ų4389.4 Ų89.422%0.22152%0.524CS..  trans-87.495.1178.3-58.8-174.2000109.1Y1046 T1057 P1058 H1060 V1084Y1046-I1086 HydrophobicContact CE1-CD1 4.2Å; Y1046-I1086 HydrophobicContact CE2-CG2 4.41Å; T1057-I1086 WeakPolarHBondContact CA-O 3.24Å; P1058-I1086 HydrophobicContact CG-CB 4.1Å; P1058-I1086 PolarHBondContact O-N 3.28Å; H1060-I1086 HydrophobicContact CB-CD1 3.43Å; H1060-I1086 VanDerWaalsContact CB-CD1 3.43Å; H1060-I1086 HydrophobicContact CB-CG1 3.85Å; V1084-I1086 PolarHBondContact O-N 3.02Å
1087G49.9Very low54.7Low36 Ų3692 Ų9237%0.37153%0.53SS..  trans-80.3165.6177.500000114.7K1085 K1112K1085-G1087 PolarHBondContact O-N 3.37Å; G1087-K1112 PolarHBondContact O-NZ 3.12Å
1088I42.5Very low52.2Low44 Ų4496.7 Ų96.723%0.22655%0.551CS.*  trans-103.8122148.5-45.8-173.6000105.2L1090 K1112 W1116I1088-L1090 HydrophobicContact CG2-CD1 4.21Å; I1088-L1090 HydrophobicContact CG2-CG 4.23Å; I1088-L1090 PolarHBondContact O-N 3.47Å; I1088-K1112 HydrophobicContact CD1-CD 4.28Å; I1088-K1112 HydrophobicContact CG1-CD 4.04Å; I1088-K1112 HydrophobicContact CG2-CD 4.41Å; I1088-W1116 HydrophobicContact CD1-CZ2 4.29Å
1089G37.4Very low49.5Very low56 Ų5694.5 Ų94.558%0.57755%0.546SS*.THydrogen-bonded Turntrans-70.470.6-175.900000113.1D1092G1089-D1092 WeakPolarHBondContact CA-OD2 3.48Å
1090L38.8Very low46.7Very low103 Ų10397.9 Ų97.954%0.53957%0.574SS.*THydrogen-bonded Turntrans-105.7-18.8173-72.1168.8000111.8I1088 F1161I1088-L1090 HydrophobicContact CG2-CD1 4.21Å; I1088-L1090 HydrophobicContact CG2-CG 4.23Å; I1088-L1090 PolarHBondContact O-N 3.47Å; L1090-F1161 HydrophobicContact CD1-CD2 4.28Å; L1090-F1161 HydrophobicContact CD1-CE2 4.25Å
1091D34.6Very low44.1Very low138 Ų138101 Ų10174%0.73858%0.584SS**SBendtrans-80.4-24.4179.5-58.6-25.1000112.1C1093D1091-C1093 PolarHBondContact O-N 3.02Å
1092D33.8Very low41.4Very low123 Ų123101.7 Ų101.766%0.65859%0.59SS**  trans-76-2.4-172.4-56.4-64.6000114.8G1089 N1094G1089-D1092 WeakPolarHBondContact CA-OD2 3.48Å; D1092-N1094 PolarHBondContact O-N 3.38Å
1093C32Very low39.2Very low112 Ų112101.5 Ų101.576%0.75759%0.591SS**THydrogen-bonded Turntrans-69.813.2-176.5-68.50000115D1091D1091-C1093 PolarHBondContact O-N 3.02Å
1094N27.2Very low36.7Very low156 Ų156104.7 Ų104.783%0.83461%0.612SS**THydrogen-bonded Turntrans-14116.7-174.1-143.632.1000115.7D1092D1092-N1094 PolarHBondContact O-N 3.38Å
1095K26.1Very low34.7Very low150 Ų150107 Ų10765%0.65262%0.62SS**SBendtrans-130.6115.6161-75.9-161.9178.4-170.20109.2D301 Q1097D301-K1095 VanDerWaalsContact CG-NZ 3.25Å; D301-K1095 IonicContact OD1-NZ 3.72Å; D301-K1095 PolarHBondContact OD1-NZ 3.49Å; D301-K1095 IonicContact OD2-NZ 3.54Å; D301-K1095 PolarHBondContact OD2-NZ 3.04Å; K1095-Q1097 PolarHBondContact O-N 3.32Å
1096G24Very low32.8Very low83 Ų83109.7 Ų109.786%0.85664%0.635SS**  trans-79118.7179.900000112.5
1097Q24.6Very low31.5Very low153 Ų153112.9 Ų112.972%0.71565%0.648SS**  trans-141.4151.9161.8-93.6-175.1-20.600109.9K1095K1095-Q1097 PolarHBondContact O-N 3.32Å
1098E22.5Very low30.9Very low177 Ų177113.9 Ų113.983%0.82765%0.65SS**  trans-59.1142.5-176.4-73.8-73.3115.100113.2S1100E1098-S1100 PolarHBondContact O-N 2.65Å
1099P25.2Very low30.9Very low114 Ų114113.5 Ų113.574%0.7466%0.657SS**  trans-76.891.3176.732.6-34.5000111.3
1100S23.9Very low31.6Very low108 Ų108118.9 Ų118.976%0.75566%0.66SS**  trans-60.4133163.356.40000110.8E1098 D1102E1098-S1100 PolarHBondContact O-N 2.65Å; S1100-D1102 PolarHBondContact O-N 3.49Å
1101N24.5Very low32.1Very low177 Ų177115.8 Ų115.895%0.94764%0.644SS**  trans-55.3105.2-177.8-74.8-28.5000113.5
1102D25.4Very low33Very low83 Ų83110.1 Ų110.144%0.44461%0.613SS.*  trans-139.798.2158.5-171.2-5000110S1100 T1104 I1105S1100-D1102 PolarHBondContact O-N 3.49Å; D1102-T1104 PolarHBondContact O-N 2.92Å; D1102-T1104 WeakPolarHBondContact OD1-CB 3.41Å; D1102-T1104 PolarHBondContact OD1-N 2.88Å; D1102-T1104 PolarHBondContact OD1-OG1 2.82Å; D1102-I1105 HydrophobicContact CB-CD1 4.32Å
1103S29Very low34.7Very low89 Ų89105.4 Ų105.462%0.62259%0.588SS**G310 helixtrans-69.7-16.9177.542.50000113.1I1105S1103-I1105 VanDerWaalsContact C-N 3.3Å; S1103-I1105 PolarHBondContact O-N 3.44Å
1104T31.9Very low36.5Very low82 Ų82102.4 Ų102.450%0.50357%0.567SS.*G310 helixtrans-71.7-21.5-170.3-29.10000113.4D1102D1102-T1104 PolarHBondContact O-N 2.92Å; D1102-T1104 WeakPolarHBondContact OD1-CB 3.41Å; D1102-T1104 PolarHBondContact OD1-N 2.88Å; D1102-T1104 PolarHBondContact OD1-OG1 2.82Å
1105I36.4Very low38.2Very low115 Ų11596.7 Ų96.759%0.5953%0.534SS*.G310 helixtrans-77.4-26.2-170.9-63.6177.9000112.8D1102 S1103 E1107 S1108D1102-I1105 HydrophobicContact CB-CD1 4.32Å; S1103-I1105 VanDerWaalsContact C-N 3.3Å; S1103-I1105 PolarHBondContact O-N 3.44Å; I1105-E1107 PolarHBondContact O-N 2.64Å; I1105-S1108 PolarHBondContact O-OG 3.17Å; I1105-S1108 VanDerWaalsContact O-OG 3.12Å
1106Q37.6Very low40.6Very low162 Ų16290.6 Ų90.676%0.75751%0.507SS*.SBendtrans-72.9-29.8-169.4-63.7-163.815.300115S1108 G1109Q1106-S1108 VanDerWaalsContact C-N 3.34Å; Q1106-S1108 PolarHBondContact O-N 3.27Å; Q1106-G1109 PolarHBondContact O-N 3.24Å; Q1106-G1109 VanDerWaalsContact O-N 3.11Å
1107E33.5Very low43.5Very low109 Ų10987 Ų8751%0.50947%0.469SS..Hα-helixtrans-62.1-40.9-176.4-72179.5131.400111.6K1011 I1105 G1109 R1110K1011-E1107 IonicContact NZ-OE1 3.09Å; K1011-E1107 PolarHBondContact NZ-OE1 3.08Å; K1011-E1107 IonicContact NZ-OE2 2.6Å; K1011-E1107 PolarHBondContact NZ-OE2 3.09Å; I1105-E1107 PolarHBondContact O-N 2.64Å; E1107-G1109 PolarHBondContact O-N 2.63Å; E1107-G1109 VanDerWaalsContact O-N 3.11Å; E1107-R1110 PolarHBondContact O-N 2.84Å
1108S38Very low46.2Very low57 Ų5787 Ų8740%0.39947%0.467SS..Hα-helixtrans-59.8-25.3176.878.40000114I1105 Q1106 K1112I1105-S1108 PolarHBondContact O-OG 3.17Å; I1105-S1108 VanDerWaalsContact O-OG 3.12Å; Q1106-S1108 VanDerWaalsContact C-N 3.34Å; Q1106-S1108 PolarHBondContact O-N 3.27Å; S1108-K1112 WeakPolarHBondContact O-CD 3.44Å; S1108-K1112 VanDerWaalsContact O-CG 3.28Å; S1108-K1112 WeakPolarHBondContact O-CG 3.38Å; S1108-K1112 PolarHBondContact O-N 3.44Å
1109G42.1Very low49Very low37 Ų3779.3 Ų79.338%0.38143%0.433SS..Hα-helixtrans-74.4-36.7179.800000113.6Q1106 E1107 L1113Q1106-G1109 PolarHBondContact O-N 3.24Å; Q1106-G1109 VanDerWaalsContact O-N 3.11Å; E1107-G1109 PolarHBondContact O-N 2.63Å; E1107-G1109 VanDerWaalsContact O-N 3.11Å; G1109-L1113 VanDerWaalsContact O-CB 3.3Å; G1109-L1113 WeakPolarHBondContact O-CB 3.24Å; G1109-L1113 PolarHBondContact O-N 2.98Å; G1109-L1113 VanDerWaalsContact O-N 3.09Å
1110R51.6Low52.1Low168 Ų16873.9 Ų73.963%0.63440%0.398SS*.Hα-helixtrans-66.3-43.3179.2-75.7-173.3177.8179.43.4111.9E1107 L1113 S1114E1107-R1110 PolarHBondContact O-N 2.84Å; R1110-L1113 WeakPolarHBondContact O-CB 3.31Å; R1110-L1113 PolarHBondContact O-N 2.93Å; R1110-S1114 PolarHBondContact O-N 3.38Å
1111D50.6Low55.2Low38 Ų3869.3 Ų69.320%0.20337%0.368CS..Hα-helixtrans-72.1-38.6-177.7-178.761.5000112.1P1043 L1113 S1114 R1115P1043-D1111 WeakPolarHBondContact CD-OD2 3.41Å; D1111-L1113 VanDerWaalsContact C-N 3.32Å; D1111-L1113 PolarHBondContact O-N 3.26Å; D1111-S1114 PolarHBondContact O-N 2.85Å; D1111-R1115 PolarHBondContact O-N 2.87Å; D1111-R1115 PolarHBondContact O-NH1 2.83Å; D1111-R1115 IonicContact OD1-CZ 3.49Å; D1111-R1115 IonicContact OD1-NH1 2.67Å; D1111-R1115 IonicContact OD1-NH2 3.46Å; D1111-R1115 PolarHBondContact OD1-NH2 3.45Å; D1111-R1115 IonicContact OD2-CZ 3.95Å; D1111-R1115 IonicContact OD2-NH1 3.41Å; D1111-R1115 PolarHBondContact OD2-NH1 2.93Å; D1111-R1115 IonicContact OD2-NH2 3.29Å; D1111-R1115 PolarHBondContact OD2-NH2 2.78Å
1112K53.7Low58.2Low20 Ų2064.3 Ų64.39%0.08734%0.339CS..Hα-helixtrans-51.8-52.1166.3-76.5172.1176.6172.80110.9P1043 L1044 G1087 I1088 S1108 S1114 R1115 W1116P1043-K1112 HydrophobicContact CB-CD 4.3Å; P1043-K1112 VanDerWaalsContact CB-CE 3.46Å; P1043-K1112 HydrophobicContact CB-CG 3.84Å; P1043-K1112 HydrophobicContact CG-CG 4.31Å; L1044-K1112 HydrophobicContact CD1-CB 3.89Å; L1044-K1112 HydrophobicContact CD1-CG 4.06Å; L1044-K1112 VanDerWaalsContact CD1-O 3.26Å; L1044-K1112 WeakPolarHBondContact CD1-O 3.48Å; G1087-K1112 PolarHBondContact O-NZ 3.12Å; I1088-K1112 HydrophobicContact CD1-CD 4.28Å; I1088-K1112 HydrophobicContact CG1-CD 4.04Å; I1088-K1112 HydrophobicContact CG2-CD 4.41Å; S1108-K1112 WeakPolarHBondContact O-CD 3.44Å; S1108-K1112 VanDerWaalsContact O-CG 3.28Å; S1108-K1112 WeakPolarHBondContact O-CG 3.38Å; S1108-K1112 PolarHBondContact O-N 3.44Å; K1112-S1114 PolarHBondContact O-N 2.7Å; K1112-R1115 PolarHBondContact O-N 2.85Å; K1112-R1115 VanDerWaalsContact O-N 3.17Å; K1112-W1116 VanDerWaalsContact O-CD1 3.27Å; K1112-W1116 PolarHBondContact O-N 2.87Å; K1112-W1116 VanDerWaalsContact O-N 3.08Å
1113L69.4Low61.1Low24 Ų2460.7 Ų60.713%0.12632%0.319CS..Hα-helixtrans-62.4-40.7-177179.555000113.2G1109 R1110 D1111 R1115 V1117 Y1164 L1165 Y1168G1109-L1113 VanDerWaalsContact O-CB 3.3Å; G1109-L1113 WeakPolarHBondContact O-CB 3.24Å; G1109-L1113 PolarHBondContact O-N 2.98Å; G1109-L1113 VanDerWaalsContact O-N 3.09Å; R1110-L1113 WeakPolarHBondContact O-CB 3.31Å; R1110-L1113 PolarHBondContact O-N 2.93Å; D1111-L1113 VanDerWaalsContact C-N 3.32Å; D1111-L1113 PolarHBondContact O-N 3.26Å; L1113-R1115 PolarHBondContact O-N 2.91Å; L1113-V1117 WeakPolarHBondContact O-CB 3.28Å; L1113-V1117 WeakPolarHBondContact O-CG2 3.19Å; L1113-V1117 PolarHBondContact O-N 3.45Å; L1113-Y1164 HydrophobicContact CD1-CD1 4.03Å; L1113-Y1164 HydrophobicContact CD2-CD1 4.08Å; L1113-Y1164 HydrophobicContact CD2-CE1 3.76Å; L1113-L1165 HydrophobicContact CD1-CD2 3.45Å; L1113-L1165 VanDerWaalsContact CD1-CD2 3.45Å; L1113-Y1168 HydrophobicContact CD1-CG 4.27Å; L1113-Y1168 HydrophobicContact CD2-CD1 4.23Å; L1113-Y1168 HydrophobicContact CD2-CD2 3.32Å; L1113-Y1168 HydrophobicContact CD2-CE1 4.44Å; L1113-Y1168 HydrophobicContact CD2-CE2 3.58Å; L1113-Y1168 HydrophobicContact CD2-CG 3.67Å; L1113-Y1168 HydrophobicContact CG-CD1 3.84Å; L1113-Y1168 HydrophobicContact CG-CD2 3.85Å; L1113-Y1168 HydrophobicContact CG-CE1 4.2Å; L1113-Y1168 HydrophobicContact CG-CE2 4.22Å; L1113-Y1168 HydrophobicContact CG-CG 3.63Å
1114S69Low64.1Low48 Ų4857.2 Ų57.234%0.33630%0.295SS..Hα-helixtrans-57.1-34.3174.8-172.10000112.9R1110 D1111 K1112 V1117 K1118R1110-S1114 PolarHBondContact O-N 3.38Å; D1111-S1114 PolarHBondContact O-N 2.85Å; K1112-S1114 PolarHBondContact O-N 2.7Å; S1114-V1117 WeakPolarHBondContact O-CB 3.34Å; S1114-K1118 PolarHBondContact O-N 3.35Å
1115R63.6Low66.8Low37 Ų3756.9 Ų56.914%0.1429%0.285CS..Hα-helixtrans-89-35.7-175-157.5170.3-63.8985.5113.1Q1042 L1044 D1111 K1112 L1113 V1117 K1118 A1119Q1042-R1115 VanDerWaalsContact CB-CZ 3.41Å; Q1042-R1115 VanDerWaalsContact CG-CZ 3.49Å; Q1042-R1115 VanDerWaalsContact CG-NH2 3.35Å; Q1042-R1115 VanDerWaalsContact OE1-CD 3.27Å; L1044-R1115 HydrophobicContact CB-CG 4.35Å; L1044-R1115 HydrophobicContact CD1-CB 4.26Å; L1044-R1115 HydrophobicContact CD2-CB 3.91Å; L1044-R1115 HydrophobicContact CD2-CG 3.96Å; L1044-R1115 HydrophobicContact CG-CB 4.46Å; D1111-R1115 PolarHBondContact O-N 2.87Å; D1111-R1115 PolarHBondContact O-NH1 2.83Å; D1111-R1115 IonicContact OD1-CZ 3.49Å; D1111-R1115 IonicContact OD1-NH1 2.67Å; D1111-R1115 IonicContact OD1-NH2 3.46Å; D1111-R1115 PolarHBondContact OD1-NH2 3.45Å; D1111-R1115 IonicContact OD2-CZ 3.95Å; D1111-R1115 IonicContact OD2-NH1 3.41Å; D1111-R1115 PolarHBondContact OD2-NH1 2.93Å; D1111-R1115 IonicContact OD2-NH2 3.29Å; D1111-R1115 PolarHBondContact OD2-NH2 2.78Å; K1112-R1115 PolarHBondContact O-N 2.85Å; K1112-R1115 VanDerWaalsContact O-N 3.17Å; L1113-R1115 PolarHBondContact O-N 2.91Å; R1115-V1117 PolarHBondContact O-N 2.66Å; R1115-K1118 PolarHBondContact O-N 3.45Å; R1115-K1118 VanDerWaalsContact O-N 3.08Å; R1115-A1119 PolarHBondContact O-N 3.47Å
1116W75.9Confident69.1Low22 Ų2252.5 Ų52.58%0.08326%0.264CS..Hα-helixtrans-56-37.9162.7-79.4113.4000111.7L1044 E1056 I1088 K1112 K1118 A1119 L1120 M1139 F1161 L1165L1044-W1116 HydrophobicContact CD1-CG 4.29Å; L1044-W1116 HydrophobicContact CD2-CD2 4.22Å; L1044-W1116 HydrophobicContact CD2-CG 4.12Å; E1056-W1116 HydrophobicContact CG-CZ2 4.31Å; E1056-W1116 VanDerWaalsContact OE1-CH2 3.23Å; E1056-W1116 WeakPolarHBondContact OE1-CH2 3.12Å; I1088-W1116 HydrophobicContact CD1-CZ2 4.29Å; K1112-W1116 VanDerWaalsContact O-CD1 3.27Å; K1112-W1116 PolarHBondContact O-N 2.87Å; K1112-W1116 VanDerWaalsContact O-N 3.08Å; W1116-K1118 PolarHBondContact O-N 2.84Å; W1116-A1119 PolarHBondContact O-N 3.49Å; W1116-L1120 WeakPolarHBondContact O-CB 3.01Å; W1116-L1120 PolarHBondContact O-N 2.65Å; W1116-M1139 HydrophobicContact CE3-CE 3.5Å; W1116-M1139 HydrophobicContact CZ3-CE 3.88Å; W1116-F1161 HydrophobicContact CD2-CE1 4.25Å; W1116-F1161 AromaticContact CD2-CZ 3.57Å; W1116-F1161 HydrophobicContact CD2-CZ 3.57Å; W1116-F1161 AromaticContact CE2-CZ 3.67Å; W1116-F1161 AromaticContact CE3-CE1 3.88Å; W1116-F1161 HydrophobicContact CE3-CE1 3.88Å; W1116-F1161 AromaticContact CE3-CZ 3.68Å; W1116-F1161 HydrophobicContact CE3-CZ 3.68Å; W1116-F1161 HydrophobicContact CG-CZ 4.08Å; W1116-F1161 HydrophobicContact CH2-CE1 4.21Å; W1116-F1161 AromaticContact CH2-CZ 3.99Å; W1116-F1161 HydrophobicContact CH2-CZ 3.99Å; W1116-F1161 AromaticContact CZ2-CZ 3.91Å; W1116-F1161 HydrophobicContact CZ2-CZ 3.91Å; W1116-F1161 AromaticContact CZ3-CE1 3.84Å; W1116-F1161 HydrophobicContact CZ3-CE1 3.84Å; W1116-F1161 AromaticContact CZ3-CZ 3.87Å; W1116-F1161 HydrophobicContact CZ3-CZ 3.87Å; W1116-L1165 HydrophobicContact CB-CD1 3.85Å; W1116-L1165 HydrophobicContact CB-CD2 3.47Å; W1116-L1165 VanDerWaalsContact CB-CD2 3.47Å; W1116-L1165 HydrophobicContact CB-CG 4.32Å; W1116-L1165 HydrophobicContact CE3-CD1 4.3Å; W1116-L1165 HydrophobicContact CG-CD2 4.22Å
1117V85.1Confident71.5Confident8 Ų856.4 Ų56.45%0.04827%0.272CS..Hα-helixtrans-62.4-37.6172.6157.80000113.2L1113 S1114 R1115 G1121 L1165 Y1168 H1169L1113-V1117 WeakPolarHBondContact O-CB 3.28Å; L1113-V1117 WeakPolarHBondContact O-CG2 3.19Å; L1113-V1117 PolarHBondContact O-N 3.45Å; S1114-V1117 WeakPolarHBondContact O-CB 3.34Å; R1115-V1117 PolarHBondContact O-N 2.66Å; V1117-G1121 PolarHBondContact O-N 3.19Å; V1117-L1165 WeakPolarHBondContact CG2-O 3.26Å; V1117-Y1168 HydrophobicContact CG2-CD1 4.17Å; V1117-H1169 HydrophobicContact CB-CB 4.45Å; V1117-H1169 HydrophobicContact CG1-CB 3.77Å; V1117-H1169 HydrophobicContact CG2-CB 4.01Å
1118K82.3Confident73.6Confident153 Ų15355.1 Ų55.167%0.66527%0.269SS*.Hα-helixtrans-67.9-39.3173.7-76.9-179.6176.8175.40112S1114 R1115 W1116 G1121 H1122S1114-K1118 PolarHBondContact O-N 3.35Å; R1115-K1118 PolarHBondContact O-N 3.45Å; R1115-K1118 VanDerWaalsContact O-N 3.08Å; W1116-K1118 PolarHBondContact O-N 2.84Å; K1118-G1121 PolarHBondContact O-N 2.95Å; K1118-H1122 PolarHBondContact O-N 2.95Å
1119A81.2Confident75.4Confident15 Ų1556.9 Ų56.912%0.12429%0.287CS..Hα-helixtrans-66.2-41.7174.300000112.5R1115 W1116 G1121 H1122 S1123 A1135 M1139R1115-A1119 PolarHBondContact O-N 3.47Å; W1116-A1119 PolarHBondContact O-N 3.49Å; A1119-G1121 VanDerWaalsContact C-N 3.34Å; A1119-H1122 PolarHBondContact O-N 2.98Å; A1119-S1123 VanDerWaalsContact O-CB 3.31Å; A1119-S1123 WeakPolarHBondContact O-CB 3.35Å; A1119-S1123 PolarHBondContact O-N 3.02Å; A1119-S1123 PolarHBondContact O-OG 3.47Å; A1119-A1135 HydrophobicContact CB-CB 4.11Å; A1119-M1139 HydrophobicContact CB-CE 4.15Å
1120L90.1Very high76.7Confident0 Ų061.9 Ų61.90%031%0.305CS..Hα-helixtrans-59.7-42.8171.5175.760.8000111.7W1116 S1123 C1124 M1139 V1143 L1165 V1180W1116-L1120 WeakPolarHBondContact O-CB 3.01Å; W1116-L1120 PolarHBondContact O-N 2.65Å; L1120-S1123 PolarHBondContact O-OG 3.47Å; L1120-C1124 PolarHBondContact O-N 2.9Å; L1120-C1124 PolarHBondContact O-SG 3.28Å; L1120-M1139 HydrophobicContact CB-CE 4.2Å; L1120-M1139 HydrophobicContact CB-CG 4.45Å; L1120-M1139 HydrophobicContact CB-SD 4.12Å; L1120-M1139 HydrophobicContact CD1-CG 4.42Å; L1120-M1139 HydrophobicContact CD1-SD 4.02Å; L1120-V1143 HydrophobicContact CD1-CG2 3.38Å; L1120-L1165 HydrophobicContact CB-CD1 4.45Å; L1120-L1165 HydrophobicContact CD2-CB 3.5Å; L1120-L1165 VanDerWaalsContact CD2-CB 3.5Å; L1120-V1180 HydrophobicContact CD1-CG1 4.18Å; L1120-V1180 HydrophobicContact CD2-CG1 3.65Å; L1120-V1180 HydrophobicContact CG-CG1 3.73Å; L1120-V1180 HydrophobicContact CG-CG2 4.3Å
1121G88Confident77.6Confident12 Ų1255.2 Ų55.212%0.12428%0.284CS..Hα-helixtrans-55.7-67.3170.200000111.2V1117 K1118 A1119 S1123 C1124 Y1125V1117-G1121 PolarHBondContact O-N 3.19Å; K1118-G1121 PolarHBondContact O-N 2.95Å; A1119-G1121 VanDerWaalsContact C-N 3.34Å; G1121-S1123 VanDerWaalsContact C-N 3.35Å; G1121-S1123 PolarHBondContact O-N 3.16Å; G1121-C1124 PolarHBondContact O-N 3.24Å; G1121-Y1125 VanDerWaalsContact O-CD2 3.25Å; G1121-Y1125 WeakPolarHBondContact O-CD2 3.02Å
1122H87.2Confident78.3Confident72 Ų7265.2 Ų65.233%0.33332%0.319SS..Hα-helixtrans-52.2-48-175.2173.284.6000113.3K1118 A1119 C1124 Y1125 C1126 C1131 C1136K1118-H1122 PolarHBondContact O-N 2.95Å; A1119-H1122 PolarHBondContact O-N 2.98Å; H1122-C1124 VanDerWaalsContact C-N 3.26Å; H1122-C1124 PolarHBondContact O-N 3.02Å; H1122-Y1125 PolarHBondContact O-N 3.42Å; H1122-Y1125 VanDerWaalsContact O-N 3.15Å; H1122-C1126 WeakPolarHBondContact NE2-CB 3.5Å; H1122-C1126 WeakPolarHBondContact O-CB 3.17Å; H1122-C1126 PolarHBondContact O-N 3.12Å; H1122-C1131 PolarHBondContact NE2-SG 3.33Å; H1122-C1136 PolarHBondContact CD2-SG 3.37Å; H1122-C1136 PolarHBondContact NE2-SG 3.4Å; H1122-C1136 VanDerWaalsContact NE2-SG 3.37Å
1123S87.2Confident78.6Confident6 Ų667.8 Ų67.84%0.04234%0.336CS..Hα-helixtrans-60.2-30-179.457.10000114.5A1119 L1120 G1121 M1139A1119-S1123 VanDerWaalsContact O-CB 3.31Å; A1119-S1123 WeakPolarHBondContact O-CB 3.35Å; A1119-S1123 PolarHBondContact O-N 3.02Å; A1119-S1123 PolarHBondContact O-OG 3.47Å; L1120-S1123 PolarHBondContact O-OG 3.47Å; G1121-S1123 VanDerWaalsContact C-N 3.35Å; G1121-S1123 PolarHBondContact O-N 3.16Å; S1123-M1139 WeakPolarHBondContact OG-CG 3.5Å
1124C91.5Very high78.1Confident16 Ų1674.2 Ų74.211%0.10836%0.359CS..Hα-helixtrans-78.2-20.2178.9-68.30000113.9L1120 G1121 H1122 L1179 V1180L1120-C1124 PolarHBondContact O-N 2.9Å; L1120-C1124 PolarHBondContact O-SG 3.28Å; G1121-C1124 PolarHBondContact O-N 3.24Å; H1122-C1124 VanDerWaalsContact C-N 3.26Å; H1122-C1124 PolarHBondContact O-N 3.02Å; C1124-L1179 HydrophobicContact CB-CB 4.12Å; C1124-L1179 WeakPolarHBondContact O-CD1 3.4Å; C1124-V1180 HydrophobicContact CB-CG2 4.06Å
1125Y89.7Confident78.1Confident75 Ų7573 Ų7329%0.29435%0.353SS..Hα-helixtrans-108.9-25.4-178.6-69-113000112.8G1121 H1122 R1127 E1175 C1178 L1179 V1180G1121-Y1125 VanDerWaalsContact O-CD2 3.25Å; G1121-Y1125 WeakPolarHBondContact O-CD2 3.02Å; H1122-Y1125 PolarHBondContact O-N 3.42Å; H1122-Y1125 VanDerWaalsContact O-N 3.15Å; Y1125-R1127 PolarHBondContact O-N 2.71Å; Y1125-E1175 VanDerWaalsContact CE1-OE2 3.22Å; Y1125-E1175 WeakPolarHBondContact CE1-OE2 3.44Å; Y1125-E1175 VanDerWaalsContact CZ-OE2 3.27Å; Y1125-E1175 PolarHBondContact OH-OE1 3.33Å; Y1125-E1175 PolarHBondContact OH-OE2 2.95Å; Y1125-C1178 VanDerWaalsContact OH-CA 3.28Å; Y1125-C1178 WeakPolarHBondContact OH-CA 3.41Å; Y1125-C1178 PolarHBondContact OH-SG 3.33Å; Y1125-L1179 HydrophobicContact CD1-CD1 3.82Å; Y1125-L1179 HydrophobicContact CD1-CG 4.33Å; Y1125-L1179 HydrophobicContact CD2-CB 4.09Å; Y1125-L1179 HydrophobicContact CD2-CD1 4.32Å; Y1125-L1179 HydrophobicContact CE1-CB 4.49Å; Y1125-L1179 HydrophobicContact CE1-CD1 4.13Å; Y1125-L1179 HydrophobicContact CE1-CG 4.15Å; Y1125-L1179 HydrophobicContact CE2-CB 3.84Å; Y1125-L1179 HydrophobicContact CE2-CG 4.38Å; Y1125-L1179 HydrophobicContact CG-CD1 3.94Å; Y1125-L1179 PolarHBondContact OH-N 2.88Å; Y1125-V1180 HydrophobicContact CE2-CG2 4.44Å
1126C84.2Confident78.8Confident23 Ų2371.4 Ų71.416%0.15535%0.347CS..  trans-66.7103.1-176-178.10000111.5H1122 D1128 C1131 K1140H1122-C1126 WeakPolarHBondContact NE2-CB 3.5Å; H1122-C1126 WeakPolarHBondContact O-CB 3.17Å; H1122-C1126 PolarHBondContact O-N 3.12Å; C1126-D1128 VanDerWaalsContact C-N 3.33Å; C1126-C1131 VanDerWaalsContact SG-CB 3.53Å; C1126-C1131 PolarHBondContact SG-SG 3.02Å; C1126-K1140 WeakPolarHBondContact O-CE 3.29Å; C1126-K1140 PolarHBondContact O-NZ 3.38Å
1127R88.2Confident78.8Confident245 Ų24578.7 Ų78.793%0.92538%0.379SS*.  trans-79-14.6175-65.8-174.5178.4-170.1-1.4113.7Y1125 A1129Y1125-R1127 PolarHBondContact O-N 2.71Å; R1127-A1129 PolarHBondContact O-N 3.09Å
1128D77.6Confident78.3Confident82 Ų8280.9 Ų80.944%0.43939%0.393SS..  trans-66.7128.5177.8-176.910.8000110.8C1126 N1130 C1131 K1140C1126-D1128 VanDerWaalsContact C-N 3.33Å; D1128-N1130 PolarHBondContact OD1-N 3.39Å; D1128-C1131 HydrophobicContact CB-CB 4.1Å; D1128-C1131 VanDerWaalsContact OD2-CA 3.27Å; D1128-C1131 WeakPolarHBondContact OD2-CA 3.24Å; D1128-C1131 PolarHBondContact OD2-N 2.83Å; D1128-K1140 PolarHBondContact O-NZ 2.79Å
1129A74.4Confident78.5Confident94 Ų9473.8 Ų73.878%0.77736%0.362SS*.SBendtrans-79-29.9175.600000111.9R1127R1127-A1129 PolarHBondContact O-N 3.09Å
1130N70.5Confident78.8Confident141 Ų14176.3 Ų76.375%0.75437%0.37SS*.SBendtrans-102.224.9-178.4-66.9-22.1000111.9D1128 R1132D1128-N1130 PolarHBondContact OD1-N 3.39Å; N1130-R1132 PolarHBondContact O-N 3.44Å
1131C71.2Confident78.5Confident29 Ų2985 Ų8520%0.19640%0.404CS..  trans-58.6121.7-175.2-1720000111.8H1122 C1126 D1128 V1133H1122-C1131 PolarHBondContact NE2-SG 3.33Å; C1126-C1131 VanDerWaalsContact SG-CB 3.53Å; C1126-C1131 PolarHBondContact SG-SG 3.02Å; D1128-C1131 HydrophobicContact CB-CB 4.1Å; D1128-C1131 VanDerWaalsContact OD2-CA 3.27Å; D1128-C1131 WeakPolarHBondContact OD2-CA 3.24Å; D1128-C1131 PolarHBondContact OD2-N 2.83Å; C1131-V1133 PolarHBondContact O-N 3.12Å
1132R64.2Low78.5Confident248 Ų24886.1 Ų86.194%0.93641%0.406SS*.SBendtrans-72.6-10.7-175.9-58.5-174.6-176.5-1680.4114.5N1130 Y1134N1130-R1132 PolarHBondContact O-N 3.44Å; R1132-Y1134 PolarHBondContact O-N 2.6Å; R1132-Y1134 VanDerWaalsContact O-N 3.15Å
1133V59.6Low78.5Confident73 Ų7382.9 Ų82.944%0.44239%0.391SS..  trans-74.6101.7175.9179.90000108.3C1131 A1135 C1136C1131-V1133 PolarHBondContact O-N 3.12Å; V1133-A1135 VanDerWaalsContact C-N 3.33Å; V1133-A1135 PolarHBondContact O-N 3.25Å; V1133-C1136 HydrophobicContact CB-CB 4.12Å; V1133-C1136 HydrophobicContact CG1-CB 4.33Å; V1133-C1136 WeakPolarHBondContact O-CA 3.44Å; V1133-C1136 WeakPolarHBondContact O-CB 3.3Å; V1133-C1136 PolarHBondContact O-N 2.92Å
1134Y59Low78.6Confident160 Ų16087.7 Ų87.763%0.62741%0.413SS*.Hα-helixtrans-54.3-46.4-170.9-161.1-85.4000113.1M1045 R1132 C1136 K1137M1045-Y1134 HydrophobicContact CE-CD1 4.36Å; R1132-Y1134 PolarHBondContact O-N 2.6Å; R1132-Y1134 VanDerWaalsContact O-N 3.15Å; Y1134-C1136 PolarHBondContact O-N 3.47Å; Y1134-K1137 PolarHBondContact O-N 2.75Å
1135A69.6Low78.4Confident23 Ų2389.4 Ų89.419%0.1942%0.42CS..Hα-helixtrans-57-23.3175.900000114A1119 V1133 K1137 M1139A1119-A1135 HydrophobicContact CB-CB 4.11Å; V1133-A1135 VanDerWaalsContact C-N 3.33Å; V1133-A1135 PolarHBondContact O-N 3.25Å; A1135-K1137 VanDerWaalsContact C-N 3.31Å; A1135-K1137 PolarHBondContact O-N 3.11Å; A1135-M1139 WeakPolarHBondContact O-CB 3.48Å; A1135-M1139 PolarHBondContact O-N 3.18Å
1136C79.1Confident78.4Confident3 Ų386 Ų862%0.0241%0.406CS..Hα-helixtrans-60.5-40.1174.3-171.10000111.8H1122 V1133 Y1134 K1140H1122-C1136 PolarHBondContact CD2-SG 3.37Å; H1122-C1136 PolarHBondContact NE2-SG 3.4Å; H1122-C1136 VanDerWaalsContact NE2-SG 3.37Å; V1133-C1136 HydrophobicContact CB-CB 4.12Å; V1133-C1136 HydrophobicContact CG1-CB 4.33Å; V1133-C1136 WeakPolarHBondContact O-CA 3.44Å; V1133-C1136 WeakPolarHBondContact O-CB 3.3Å; V1133-C1136 PolarHBondContact O-N 2.92Å; Y1134-C1136 PolarHBondContact O-N 3.47Å; C1136-K1140 VanDerWaalsContact O-CB 3.23Å; C1136-K1140 WeakPolarHBondContact O-CB 3.41Å; C1136-K1140 WeakPolarHBondContact O-CG 3.11Å; C1136-K1140 PolarHBondContact O-N 3.25Å
1137K74.1Confident78.6Confident175 Ų17590.8 Ų90.876%0.76142%0.421SS*.Hα-helixtrans-72.9-48.4-175.3-160174.2-175.4179.10111.2Y1134 A1135 K1140 Y1141Y1134-K1137 PolarHBondContact O-N 2.75Å; A1135-K1137 VanDerWaalsContact C-N 3.31Å; A1135-K1137 PolarHBondContact O-N 3.11Å; K1137-K1140 PolarHBondContact O-N 2.85Å; K1137-Y1141 PolarHBondContact O-N 2.85Å
1138T76.3Confident78.5Confident54 Ų5484.1 Ų84.133%0.33141%0.407SS..Hα-helixtrans-60.7-47.4174.9-45.10000111.4Y1141 Q1142T1138-Y1141 WeakPolarHBondContact O-CB 3.03Å; T1138-Y1141 PolarHBondContact O-N 3.35Å; T1138-Q1142 PolarHBondContact O-N 2.75Å
1139M86Confident78.6Confident3 Ų383.1 Ų83.12%0.01540%0.4CS..Hα-helixtrans-69.1-36.6-178.9-173.266.771.400112.4W1116 A1119 L1120 S1123 A1135 Y1141 Q1142 V1143 I1162 L1165W1116-M1139 HydrophobicContact CE3-CE 3.5Å; W1116-M1139 HydrophobicContact CZ3-CE 3.88Å; A1119-M1139 HydrophobicContact CB-CE 4.15Å; L1120-M1139 HydrophobicContact CB-CE 4.2Å; L1120-M1139 HydrophobicContact CB-CG 4.45Å; L1120-M1139 HydrophobicContact CB-SD 4.12Å; L1120-M1139 HydrophobicContact CD1-CG 4.42Å; L1120-M1139 HydrophobicContact CD1-SD 4.02Å; S1123-M1139 WeakPolarHBondContact OG-CG 3.5Å; A1135-M1139 WeakPolarHBondContact O-CB 3.48Å; A1135-M1139 PolarHBondContact O-N 3.18Å; M1139-Y1141 PolarHBondContact O-N 3.35Å; M1139-Q1142 PolarHBondContact O-N 3.44Å; M1139-V1143 HydrophobicContact CG-CG2 4.08Å; M1139-V1143 VanDerWaalsContact O-CB 3.25Å; M1139-V1143 WeakPolarHBondContact O-CB 3.44Å; M1139-V1143 VanDerWaalsContact O-CG2 3.25Å; M1139-V1143 WeakPolarHBondContact O-CG2 3.29Å; M1139-V1143 PolarHBondContact O-N 3.2Å; M1139-V1143 HydrophobicContact SD-CG2 4.13Å; M1139-I1162 HydrophobicContact SD-CD1 3.53Å; M1139-I1162 VanDerWaalsContact SD-CD1 3.53Å; M1139-L1165 HydrophobicContact CE-CD1 3.69Å; M1139-L1165 HydrophobicContact SD-CD1 4.32Å
1140K87.2Confident78.4Confident69 Ų6983 Ų8330%0.339%0.394SS..Hα-helixtrans-55.3-41.4170.7-86.2174.4176.8177.30111.3C1126 D1128 C1136 K1137 Q1144C1126-K1140 WeakPolarHBondContact O-CE 3.29Å; C1126-K1140 PolarHBondContact O-NZ 3.38Å; D1128-K1140 PolarHBondContact O-NZ 2.79Å; C1136-K1140 VanDerWaalsContact O-CB 3.23Å; C1136-K1140 WeakPolarHBondContact O-CB 3.41Å; C1136-K1140 WeakPolarHBondContact O-CG 3.11Å; C1136-K1140 PolarHBondContact O-N 3.25Å; K1137-K1140 PolarHBondContact O-N 2.85Å; K1140-Q1144 VanDerWaalsContact O-CB 3.26Å; K1140-Q1144 WeakPolarHBondContact O-CB 3.38Å; K1140-Q1144 PolarHBondContact O-N 3.4Å
1141Y83Confident77.7Confident181 Ų18181.7 Ų81.771%0.7139%0.39SS*.Hα-helixtrans-67.1-49177-171.7-92.1000112.3K1137 T1138 M1139 V1143 Q1144 H1145K1137-Y1141 PolarHBondContact O-N 2.85Å; T1138-Y1141 WeakPolarHBondContact O-CB 3.03Å; T1138-Y1141 PolarHBondContact O-N 3.35Å; M1139-Y1141 PolarHBondContact O-N 3.35Å; Y1141-V1143 PolarHBondContact O-N 3.09Å; Y1141-Q1144 PolarHBondContact O-N 3.03Å; Y1141-H1145 PolarHBondContact O-N 3.17Å
1142Q88Confident77.6Confident37 Ų3784 Ų8417%0.17340%0.401CS..Hα-helixtrans-62.7-40.2177.6-65.7-174.60.700112.7T1138 M1139 H1145 F1146 V1158 I1162T1138-Q1142 PolarHBondContact O-N 2.75Å; M1139-Q1142 PolarHBondContact O-N 3.44Å; Q1142-H1145 PolarHBondContact O-N 2.77Å; Q1142-F1146 WeakPolarHBondContact O-CB 3.39Å; Q1142-F1146 PolarHBondContact O-N 3.36Å; Q1142-V1158 HydrophobicContact CB-CG1 3.93Å; Q1142-V1158 HydrophobicContact CG-CG1 3.89Å; Q1142-I1162 HydrophobicContact CB-CD1 3.79Å; Q1142-I1162 HydrophobicContact CB-CG1 4Å
1143V88.9Confident77.9Confident4 Ų476 Ų762%0.02437%0.371CS..Hα-helixtrans-64.3-39.2174.2166.10000111.4L1120 M1139 Y1141 F1146 R1147 I1162 P1181L1120-V1143 HydrophobicContact CD1-CG2 3.38Å; M1139-V1143 HydrophobicContact CG-CG2 4.08Å; M1139-V1143 VanDerWaalsContact O-CB 3.25Å; M1139-V1143 WeakPolarHBondContact O-CB 3.44Å; M1139-V1143 VanDerWaalsContact O-CG2 3.25Å; M1139-V1143 WeakPolarHBondContact O-CG2 3.29Å; M1139-V1143 PolarHBondContact O-N 3.2Å; M1139-V1143 HydrophobicContact SD-CG2 4.13Å; Y1141-V1143 PolarHBondContact O-N 3.09Å; V1143-F1146 PolarHBondContact O-N 2.7Å; V1143-R1147 VanDerWaalsContact O-CG 3.27Å; V1143-R1147 WeakPolarHBondContact O-CG 3.27Å; V1143-R1147 PolarHBondContact O-N 3.04Å; V1143-I1162 HydrophobicContact CG2-CD1 4.33Å; V1143-P1181 HydrophobicContact CG1-CG 3.87Å
1144Q88.3Confident78.2Confident106 Ų10678.4 Ų78.450%0.49538%0.381SS..Hα-helixtrans-67.3-45.5176.3-168.667.81.100110.9K1140 Y1141 F1146 R1147 V1148K1140-Q1144 VanDerWaalsContact O-CB 3.26Å; K1140-Q1144 WeakPolarHBondContact O-CB 3.38Å; K1140-Q1144 PolarHBondContact O-N 3.4Å; Y1141-Q1144 PolarHBondContact O-N 3.03Å; Q1144-F1146 PolarHBondContact O-N 3.28Å; Q1144-R1147 WeakPolarHBondContact O-CB 3.45Å; Q1144-R1147 PolarHBondContact O-N 3.26Å; Q1144-V1148 WeakPolarHBondContact O-CG2 3.37Å; Q1144-V1148 PolarHBondContact O-N 3.45Å
1145H86.7Confident78.8Confident53 Ų5378.5 Ų78.525%0.24539%0.388CS..Hα-helixtrans-54.4-50.4172.2172.986.2000111.2Y1141 Q1142 R1147 V1148 H1149 C1156Y1141-H1145 PolarHBondContact O-N 3.17Å; Q1142-H1145 PolarHBondContact O-N 2.77Å; H1145-R1147 PolarHBondContact O-N 2.8Å; H1145-V1148 PolarHBondContact O-N 2.95Å; H1145-H1149 AromaticContact CE1-CD2 3.42Å; H1145-H1149 PolarHBondContact CE1-CD2 3.28Å; H1145-H1149 VanDerWaalsContact CE1-CD2 3.42Å; H1145-H1149 AromaticContact NE2-CD2 3.73Å; H1145-H1149 AromaticContact NE2-CG 3.95Å; H1145-H1149 VanDerWaalsContact O-CB 3.27Å; H1145-H1149 WeakPolarHBondContact O-CB 3.36Å; H1145-H1149 PolarHBondContact O-N 3.4Å; H1145-C1156 PolarHBondContact NE2-SG 3.21Å
1146F90.6Very high78.9Confident2 Ų278.5 Ų78.51%0.00939%0.386CS..Hα-helixtrans-60.3-28.2176.8-174-113.7000113.6Q1142 V1143 Q1144 R1153 C1159 I1162 Y1163 P1181 L1182Q1142-F1146 WeakPolarHBondContact O-CB 3.39Å; Q1142-F1146 PolarHBondContact O-N 3.36Å; V1143-F1146 PolarHBondContact O-N 2.7Å; Q1144-F1146 PolarHBondContact O-N 3.28Å; F1146-R1153 PolarHBondContact O-NH2 2.93Å; F1146-C1159 HydrophobicContact CD2-CB 3.89Å; F1146-C1159 HydrophobicContact CE2-CB 4.24Å; F1146-C1159 WeakPolarHBondContact CE2-O 3.33Å; F1146-I1162 HydrophobicContact CB-CB 4.13Å; F1146-I1162 HydrophobicContact CB-CG1 4.4Å; F1146-I1162 HydrophobicContact CB-CG2 3.79Å; F1146-I1162 HydrophobicContact CD1-CB 4.39Å; F1146-I1162 HydrophobicContact CD1-CG2 3.45Å; F1146-I1162 VanDerWaalsContact CD1-CG2 3.45Å; F1146-I1162 HydrophobicContact CD2-CB 4.14Å; F1146-I1162 HydrophobicContact CD2-CG2 4.06Å; F1146-I1162 HydrophobicContact CE1-CG2 3.93Å; F1146-I1162 HydrophobicContact CE2-CG2 4.47Å; F1146-I1162 HydrophobicContact CG-CB 3.99Å; F1146-I1162 HydrophobicContact CG-CG2 3.5Å; F1146-I1162 VanDerWaalsContact CG-CG2 3.5Å; F1146-I1162 HydrophobicContact CZ-CG2 4.41Å; F1146-Y1163 HydrophobicContact CZ-CD2 4.42Å; F1146-P1181 HydrophobicContact CD1-CB 3.74Å; F1146-P1181 HydrophobicContact CD1-CG 4.22Å; F1146-P1181 HydrophobicContact CE1-CB 3.76Å; F1146-L1182 HydrophobicContact CE1-CD1 3.98Å; F1146-L1182 HydrophobicContact CE1-CG 4.16Å; F1146-L1182 HydrophobicContact CZ-CD1 3.7Å; F1146-L1182 HydrophobicContact CZ-CG 4.37Å
1147R89.2Confident78.6Confident124 Ų12482.6 Ų82.647%0.46842%0.415SS..Hα-helixtrans-73.8-39176.9-77167.7175.5176.1-0.6112.9V1143 Q1144 H1145 L1179V1143-R1147 VanDerWaalsContact O-CG 3.27Å; V1143-R1147 WeakPolarHBondContact O-CG 3.27Å; V1143-R1147 PolarHBondContact O-N 3.04Å; Q1144-R1147 WeakPolarHBondContact O-CB 3.45Å; Q1144-R1147 PolarHBondContact O-N 3.26Å; H1145-R1147 PolarHBondContact O-N 2.8Å; R1147-L1179 PolarHBondContact NH2-O 2.74Å
1148V85.2Confident78.6Confident106 Ų10676.5 Ų76.564%0.64239%0.392SS*.Hα-helixtrans-88.3-34.6177.8-77.40000114.1Q1144 H1145 S1150Q1144-V1148 WeakPolarHBondContact O-CG2 3.37Å; Q1144-V1148 PolarHBondContact O-N 3.45Å; H1145-V1148 PolarHBondContact O-N 2.95Å; V1148-S1150 PolarHBondContact O-N 3.41Å
1149H80.5Confident79Confident61 Ų6173.9 Ų73.928%0.28238%0.376SS..  trans-71.9103177.9-154.8-70.6000109.3H1145 T1151 R1153H1145-H1149 AromaticContact CE1-CD2 3.42Å; H1145-H1149 PolarHBondContact CE1-CD2 3.28Å; H1145-H1149 VanDerWaalsContact CE1-CD2 3.42Å; H1145-H1149 AromaticContact NE2-CD2 3.73Å; H1145-H1149 AromaticContact NE2-CG 3.95Å; H1145-H1149 VanDerWaalsContact O-CB 3.27Å; H1145-H1149 WeakPolarHBondContact O-CB 3.36Å; H1145-H1149 PolarHBondContact O-N 3.4Å; H1149-T1151 PolarHBondContact CE1-O 3.17Å; H1149-T1151 PolarHBondContact ND1-O 3.08Å; H1149-R1153 PolarHBondContact O-NE 3.03Å; H1149-R1153 PolarHBondContact O-NH2 3.26Å
1150S69.2Low78.8Confident92 Ų9281.6 Ų81.664%0.64341%0.405SS*.  trans-114.3-37.2-173.256.10000112.4V1148V1148-S1150 PolarHBondContact O-N 3.41Å
1151T55.9Low78.5Confident112 Ų11280.2 Ų80.269%0.68740%0.399SS*.SBendtrans-66.4154.5163.137.50000111.2H1149 R1153H1149-T1151 PolarHBondContact CE1-O 3.17Å; H1149-T1151 PolarHBondContact ND1-O 3.08Å; T1151-R1153 PolarHBondContact O-N 3.38Å; T1151-R1153 VanDerWaalsContact O-N 3.14Å
1152D68.3Low78.7Confident79 Ų7971.6 Ų71.642%0.42237%0.365SS..  trans2.281.9-167.8-154.7-28.1000118.1N1154 Q1155D1152-N1154 VanDerWaalsContact C-N 3.26Å; D1152-N1154 PolarHBondContact O-N 3.21Å; D1152-N1154 WeakPolarHBondContact OD1-CB 3.37Å; D1152-N1154 PolarHBondContact OD1-N 3.14Å; D1152-Q1155 PolarHBondContact OD1-N 3Å; D1152-Q1155 VanDerWaalsContact OD1-N 3.11Å; D1152-Q1155 WeakPolarHBondContact OD2-CG 3.43Å; D1152-Q1155 PolarHBondContact OD2-NE2 3.16Å
1153R70.9Confident78.6Confident78 Ų7875 Ų7529%0.29438%0.377SS..THydrogen-bonded Turntrans-74.9-9.4172.4-72.9-176.5170.5166.11.5114.5F1146 H1149 T1151 C1159F1146-R1153 PolarHBondContact O-NH2 2.93Å; H1149-R1153 PolarHBondContact O-NE 3.03Å; H1149-R1153 PolarHBondContact O-NH2 3.26Å; T1151-R1153 PolarHBondContact O-N 3.38Å; T1151-R1153 VanDerWaalsContact O-N 3.14Å; R1153-C1159 HydrophobicContact CB-CB 4.08Å; R1153-C1159 HydrophobicContact CG-CB 4.11Å
1154N66.2Low78.3Confident124 Ų12482.3 Ų82.366%0.66341%0.405SS*.THydrogen-bonded Turntrans-83.6-32.9-176.5-72.7-15.8000111.6D1152 R1160D1152-N1154 VanDerWaalsContact C-N 3.26Å; D1152-N1154 PolarHBondContact O-N 3.21Å; D1152-N1154 WeakPolarHBondContact OD1-CB 3.37Å; D1152-N1154 PolarHBondContact OD1-N 3.14Å; N1154-R1160 PolarHBondContact O-NH1 3.31Å
1155Q71Confident78.2Confident163 Ų16377.3 Ų77.376%0.76238%0.382SS*.THydrogen-bonded Turntrans-82.9-36176-63.4-168.854.400113.1D1152 S1157D1152-Q1155 PolarHBondContact OD1-N 3Å; D1152-Q1155 VanDerWaalsContact OD1-N 3.11Å; D1152-Q1155 WeakPolarHBondContact OD2-CG 3.43Å; D1152-Q1155 PolarHBondContact OD2-NE2 3.16Å; Q1155-S1157 PolarHBondContact O-N 2.92Å
1156C71.7Confident78.3Confident23 Ų2374.8 Ų74.816%0.15537%0.37CS..  trans-68.5114.4178.8174.70000112.2H1145 V1158 C1159 R1160H1145-C1156 PolarHBondContact NE2-SG 3.21Å; C1156-V1158 PolarHBondContact O-N 3.36Å; C1156-C1159 HydrophobicContact CB-CB 3.87Å; C1156-C1159 PolarHBondContact O-N 3.24Å; C1156-C1159 VanDerWaalsContact O-N 3.13Å; C1156-C1159 PolarHBondContact SG-N 2.69Å; C1156-C1159 VanDerWaalsContact SG-SG 3.64Å; C1156-R1160 WeakPolarHBondContact O-CB 3.22Å; C1156-R1160 PolarHBondContact O-N 3.2Å
1157S72.9Confident78Confident89 Ų8976.2 Ų76.262%0.62238%0.38SS*.Hα-helixtrans-56.4-45.9-179.456.70000113.3Q1155 C1159 R1160 F1161Q1155-S1157 PolarHBondContact O-N 2.92Å; S1157-C1159 VanDerWaalsContact C-N 3.33Å; S1157-C1159 PolarHBondContact O-N 3.36Å; S1157-R1160 PolarHBondContact O-N 3.13Å; S1157-F1161 VanDerWaalsContact O-CB 3.31Å; S1157-F1161 WeakPolarHBondContact O-CB 3.39Å; S1157-F1161 PolarHBondContact O-N 2.96Å
1158V75.3Confident77.8Confident46 Ų4673.2 Ų73.228%0.27937%0.369SS..Hα-helixtrans-62.9-39.5177.4-176.60000111.2Q1142 C1156 I1162Q1142-V1158 HydrophobicContact CB-CG1 3.93Å; Q1142-V1158 HydrophobicContact CG-CG1 3.89Å; C1156-V1158 PolarHBondContact O-N 3.36Å; V1158-I1162 WeakPolarHBondContact O-CG1 3.06Å; V1158-I1162 PolarHBondContact O-N 2.89Å
1159C83.3Confident78Confident0 Ų068.9 Ų68.90%034%0.342CS..Hα-helixtrans-69.3-42.4177.2-73.90000112.5F1146 R1153 C1156 S1157 F1161 Y1163F1146-C1159 HydrophobicContact CD2-CB 3.89Å; F1146-C1159 HydrophobicContact CE2-CB 4.24Å; F1146-C1159 WeakPolarHBondContact CE2-O 3.33Å; R1153-C1159 HydrophobicContact CB-CB 4.08Å; R1153-C1159 HydrophobicContact CG-CB 4.11Å; C1156-C1159 HydrophobicContact CB-CB 3.87Å; C1156-C1159 PolarHBondContact O-N 3.24Å; C1156-C1159 VanDerWaalsContact O-N 3.13Å; C1156-C1159 PolarHBondContact SG-N 2.69Å; C1156-C1159 VanDerWaalsContact SG-SG 3.64Å; S1157-C1159 VanDerWaalsContact C-N 3.33Å; S1157-C1159 PolarHBondContact O-N 3.36Å; C1159-F1161 VanDerWaalsContact C-N 3.32Å; C1159-F1161 PolarHBondContact O-N 2.88Å; C1159-Y1163 VanDerWaalsContact O-CB 3.26Å; C1159-Y1163 WeakPolarHBondContact O-CB 3.21Å; C1159-Y1163 PolarHBondContact O-N 2.87Å
1160R82Confident78.3Confident165 Ų16566.4 Ų66.462%0.62333%0.332SS*.Hα-helixtrans-60.8-42.3175.5-167.3177.7-175.6116.9-6.4111.2N1154 C1156 S1157 Y1164N1154-R1160 PolarHBondContact O-NH1 3.31Å; C1156-R1160 WeakPolarHBondContact O-CB 3.22Å; C1156-R1160 PolarHBondContact O-N 3.2Å; S1157-R1160 PolarHBondContact O-N 3.13Å; R1160-Y1164 PolarHBondContact O-N 2.73Å; R1160-Y1164 VanDerWaalsContact O-N 3.09Å
1161F81Confident78.9Confident40 Ų4068.7 Ų68.718%0.17533%0.33CS..Hα-helixtrans-62.6-55.7175.2-178.4-108.8000112.5L1090 W1116 S1157 C1159 Y1163 Y1164 L1165L1090-F1161 HydrophobicContact CD1-CD2 4.28Å; L1090-F1161 HydrophobicContact CD1-CE2 4.25Å; W1116-F1161 HydrophobicContact CD2-CE1 4.25Å; W1116-F1161 AromaticContact CD2-CZ 3.57Å; W1116-F1161 HydrophobicContact CD2-CZ 3.57Å; W1116-F1161 AromaticContact CE2-CZ 3.67Å; W1116-F1161 AromaticContact CE3-CE1 3.88Å; W1116-F1161 HydrophobicContact CE3-CE1 3.88Å; W1116-F1161 AromaticContact CE3-CZ 3.68Å; W1116-F1161 HydrophobicContact CE3-CZ 3.68Å; W1116-F1161 HydrophobicContact CG-CZ 4.08Å; W1116-F1161 HydrophobicContact CH2-CE1 4.21Å; W1116-F1161 AromaticContact CH2-CZ 3.99Å; W1116-F1161 HydrophobicContact CH2-CZ 3.99Å; W1116-F1161 AromaticContact CZ2-CZ 3.91Å; W1116-F1161 HydrophobicContact CZ2-CZ 3.91Å; W1116-F1161 AromaticContact CZ3-CE1 3.84Å; W1116-F1161 HydrophobicContact CZ3-CE1 3.84Å; W1116-F1161 AromaticContact CZ3-CZ 3.87Å; W1116-F1161 HydrophobicContact CZ3-CZ 3.87Å; S1157-F1161 VanDerWaalsContact O-CB 3.31Å; S1157-F1161 WeakPolarHBondContact O-CB 3.39Å; S1157-F1161 PolarHBondContact O-N 2.96Å; C1159-F1161 VanDerWaalsContact C-N 3.32Å; C1159-F1161 PolarHBondContact O-N 2.88Å; F1161-Y1163 VanDerWaalsContact C-N 3.28Å; F1161-Y1163 PolarHBondContact O-N 2.8Å; F1161-Y1164 WeakPolarHBondContact O-CB 3.38Å; F1161-Y1164 PolarHBondContact O-N 2.75Å; F1161-L1165 HydrophobicContact CD1-CD1 4.26Å; F1161-L1165 HydrophobicContact CE1-CD1 3.7Å; F1161-L1165 HydrophobicContact CE1-CG 4.26Å; F1161-L1165 HydrophobicContact CE2-CD2 4.37Å; F1161-L1165 HydrophobicContact CZ-CD1 3.99Å; F1161-L1165 HydrophobicContact CZ-CD2 4.25Å; F1161-L1165 HydrophobicContact CZ-CG 4.3Å; F1161-L1165 PolarHBondContact O-N 3.03Å
1162I87.6Confident80.1Confident0 Ų067 Ų670%032%0.319CS..Hα-helixtrans-60-38.6178.2-67-66.4000111.3M1139 Q1142 V1143 F1146 V1158 Y1164 L1165 C1166M1139-I1162 HydrophobicContact SD-CD1 3.53Å; M1139-I1162 VanDerWaalsContact SD-CD1 3.53Å; Q1142-I1162 HydrophobicContact CB-CD1 3.79Å; Q1142-I1162 HydrophobicContact CB-CG1 4Å; V1143-I1162 HydrophobicContact CG2-CD1 4.33Å; F1146-I1162 HydrophobicContact CB-CB 4.13Å; F1146-I1162 HydrophobicContact CB-CG1 4.4Å; F1146-I1162 HydrophobicContact CB-CG2 3.79Å; F1146-I1162 HydrophobicContact CD1-CB 4.39Å; F1146-I1162 HydrophobicContact CD1-CG2 3.45Å; F1146-I1162 VanDerWaalsContact CD1-CG2 3.45Å; F1146-I1162 HydrophobicContact CD2-CB 4.14Å; F1146-I1162 HydrophobicContact CD2-CG2 4.06Å; F1146-I1162 HydrophobicContact CE1-CG2 3.93Å; F1146-I1162 HydrophobicContact CE2-CG2 4.47Å; F1146-I1162 HydrophobicContact CG-CB 3.99Å; F1146-I1162 HydrophobicContact CG-CG2 3.5Å; F1146-I1162 VanDerWaalsContact CG-CG2 3.5Å; F1146-I1162 HydrophobicContact CZ-CG2 4.41Å; V1158-I1162 WeakPolarHBondContact O-CG1 3.06Å; V1158-I1162 PolarHBondContact O-N 2.89Å; I1162-Y1164 VanDerWaalsContact C-N 3.32Å; I1162-Y1164 PolarHBondContact O-N 3.17Å; I1162-L1165 HydrophobicContact CD1-CD1 4.35Å; I1162-L1165 PolarHBondContact O-N 2.81Å; I1162-C1166 WeakPolarHBondContact O-CB 3.46Å; I1162-C1166 PolarHBondContact O-N 2.75Å; I1162-C1166 PolarHBondContact O-SG 3.02Å
1163Y85.9Confident80.8Confident108 Ų10864.2 Ų64.242%0.42431%0.306SS..Hα-helixtrans-58.6-41.8173.8179.9-92.5000112.4F1146 C1159 F1161 C1166 C1167 L1182F1146-Y1163 HydrophobicContact CZ-CD2 4.42Å; C1159-Y1163 VanDerWaalsContact O-CB 3.26Å; C1159-Y1163 WeakPolarHBondContact O-CB 3.21Å; C1159-Y1163 PolarHBondContact O-N 2.87Å; F1161-Y1163 VanDerWaalsContact C-N 3.28Å; F1161-Y1163 PolarHBondContact O-N 2.8Å; Y1163-C1166 PolarHBondContact O-N 2.85Å; Y1163-C1167 VanDerWaalsContact CE1-SG 3.54Å; Y1163-C1167 PolarHBondContact O-N 2.82Å; Y1163-C1167 PolarHBondContact O-SG 2.86Å; Y1163-L1182 HydrophobicContact CD2-CD1 3.55Å; Y1163-L1182 HydrophobicContact CE2-CD1 3.82Å
1164Y82Confident81.5Confident157 Ų15769 Ų6962%0.61633%0.331SS*.Hα-helixtrans-64.5-44.1177.2-148.6-99.1000111.8L1113 R1160 F1161 I1162 C1167 Y1168L1113-Y1164 HydrophobicContact CD1-CD1 4.03Å; L1113-Y1164 HydrophobicContact CD2-CD1 4.08Å; L1113-Y1164 HydrophobicContact CD2-CE1 3.76Å; R1160-Y1164 PolarHBondContact O-N 2.73Å; R1160-Y1164 VanDerWaalsContact O-N 3.09Å; F1161-Y1164 WeakPolarHBondContact O-CB 3.38Å; F1161-Y1164 PolarHBondContact O-N 2.75Å; I1162-Y1164 VanDerWaalsContact C-N 3.32Å; I1162-Y1164 PolarHBondContact O-N 3.17Å; Y1164-C1167 WeakPolarHBondContact O-CB 3.27Å; Y1164-C1167 PolarHBondContact O-N 2.87Å; Y1164-Y1168 PolarHBondContact O-N 3.34Å
1165L87Confident82.1Confident2 Ų267.7 Ų67.71%0.0132%0.321CS..Hα-helixtrans-62.2-43.4173.8-59.1-167.8000112L1113 W1116 V1117 L1120 M1139 F1161 I1162 C1167 Y1168 H1169L1113-L1165 HydrophobicContact CD1-CD2 3.45Å; L1113-L1165 VanDerWaalsContact CD1-CD2 3.45Å; W1116-L1165 HydrophobicContact CB-CD1 3.85Å; W1116-L1165 HydrophobicContact CB-CD2 3.47Å; W1116-L1165 VanDerWaalsContact CB-CD2 3.47Å; W1116-L1165 HydrophobicContact CB-CG 4.32Å; W1116-L1165 HydrophobicContact CE3-CD1 4.3Å; W1116-L1165 HydrophobicContact CG-CD2 4.22Å; V1117-L1165 WeakPolarHBondContact CG2-O 3.26Å; L1120-L1165 HydrophobicContact CB-CD1 4.45Å; L1120-L1165 HydrophobicContact CD2-CB 3.5Å; L1120-L1165 VanDerWaalsContact CD2-CB 3.5Å; M1139-L1165 HydrophobicContact CE-CD1 3.69Å; M1139-L1165 HydrophobicContact SD-CD1 4.32Å; F1161-L1165 HydrophobicContact CD1-CD1 4.26Å; F1161-L1165 HydrophobicContact CE1-CD1 3.7Å; F1161-L1165 HydrophobicContact CE1-CG 4.26Å; F1161-L1165 HydrophobicContact CE2-CD2 4.37Å; F1161-L1165 HydrophobicContact CZ-CD1 3.99Å; F1161-L1165 HydrophobicContact CZ-CD2 4.25Å; F1161-L1165 HydrophobicContact CZ-CG 4.3Å; F1161-L1165 PolarHBondContact O-N 3.03Å; I1162-L1165 HydrophobicContact CD1-CD1 4.35Å; I1162-L1165 PolarHBondContact O-N 2.81Å; L1165-C1167 VanDerWaalsContact C-N 3.3Å; L1165-C1167 PolarHBondContact O-N 2.78Å; L1165-Y1168 PolarHBondContact O-N 2.94Å; L1165-H1169 VanDerWaalsContact O-CB 3.25Å; L1165-H1169 WeakPolarHBondContact O-CB 3.29Å; L1165-H1169 PolarHBondContact O-N 3.27Å
1166C89.5Confident82.4Confident0 Ų068.3 Ų68.30%033%0.329CS..Hα-helixtrans-60.1-39.3175.6-72.80000112I1162 Y1163 S1170 P1181 L1182 L1186I1162-C1166 WeakPolarHBondContact O-CB 3.46Å; I1162-C1166 PolarHBondContact O-N 2.75Å; I1162-C1166 PolarHBondContact O-SG 3.02Å; Y1163-C1166 PolarHBondContact O-N 2.85Å; C1166-S1170 WeakPolarHBondContact O-CB 3.41Å; C1166-S1170 PolarHBondContact O-N 3.34Å; C1166-P1181 WeakPolarHBondContact CB-O 3.29Å; C1166-P1181 PolarHBondContact SG-O 2.71Å; C1166-L1182 HydrophobicContact CB-CB 4.43Å; C1166-L1186 HydrophobicContact CB-CD1 3.9Å
1167C83.5Confident82.9Confident32 Ų3276.1 Ų76.122%0.21636%0.36CS..Hα-helixtrans-62.9-48.8174.4-69.80000111.5Y1163 Y1164 L1165 S1170Y1163-C1167 VanDerWaalsContact CE1-SG 3.54Å; Y1163-C1167 PolarHBondContact O-N 2.82Å; Y1163-C1167 PolarHBondContact O-SG 2.86Å; Y1164-C1167 WeakPolarHBondContact O-CB 3.27Å; Y1164-C1167 PolarHBondContact O-N 2.87Å; L1165-C1167 VanDerWaalsContact C-N 3.3Å; L1165-C1167 PolarHBondContact O-N 2.78Å; C1167-S1170 PolarHBondContact O-N 2.99Å; C1167-S1170 PolarHBondContact O-OG 2.84Å
1168Y83.9Confident83.7Confident60 Ų6072.5 Ų72.524%0.23533%0.334CS..Hα-helixtrans-69.2-40.3-178.9-149-96.1000112.1L1113 V1117 Y1164 L1165 S1170 K1171L1113-Y1168 HydrophobicContact CD1-CG 4.27Å; L1113-Y1168 HydrophobicContact CD2-CD1 4.23Å; L1113-Y1168 HydrophobicContact CD2-CD2 3.32Å; L1113-Y1168 HydrophobicContact CD2-CE1 4.44Å; L1113-Y1168 HydrophobicContact CD2-CE2 3.58Å; L1113-Y1168 HydrophobicContact CD2-CG 3.67Å; L1113-Y1168 HydrophobicContact CG-CD1 3.84Å; L1113-Y1168 HydrophobicContact CG-CD2 3.85Å; L1113-Y1168 HydrophobicContact CG-CE1 4.2Å; L1113-Y1168 HydrophobicContact CG-CE2 4.22Å; L1113-Y1168 HydrophobicContact CG-CG 3.63Å; V1117-Y1168 HydrophobicContact CG2-CD1 4.17Å; Y1164-Y1168 PolarHBondContact O-N 3.34Å; L1165-Y1168 PolarHBondContact O-N 2.94Å; Y1168-S1170 VanDerWaalsContact C-N 3.3Å; Y1168-S1170 PolarHBondContact O-N 2.81Å; Y1168-K1171 WeakPolarHBondContact O-CB 3.46Å; Y1168-K1171 PolarHBondContact O-N 3.14Å
1169H89.9Confident84.5Confident16 Ų1674.6 Ų74.67%0.07434%0.344CS..Hα-helixtrans-58.1-39.3171.4177.484.5000112.3V1117 L1165 K1171 T1172 C1173 C1178 V1180 C1183V1117-H1169 HydrophobicContact CB-CB 4.45Å; V1117-H1169 HydrophobicContact CG1-CB 3.77Å; V1117-H1169 HydrophobicContact CG2-CB 4.01Å; L1165-H1169 VanDerWaalsContact O-CB 3.25Å; L1165-H1169 WeakPolarHBondContact O-CB 3.29Å; L1165-H1169 PolarHBondContact O-N 3.27Å; H1169-K1171 PolarHBondContact O-N 3.19Å; H1169-T1172 PolarHBondContact O-N 2.74Å; H1169-C1173 VanDerWaalsContact NE2-CB 3.3Å; H1169-C1173 WeakPolarHBondContact NE2-CB 3.4Å; H1169-C1173 PolarHBondContact NE2-SG 3.28Å; H1169-C1173 VanDerWaalsContact NE2-SG 3.38Å; H1169-C1173 WeakPolarHBondContact O-CB 3.34Å; H1169-C1173 PolarHBondContact O-N 2.77Å; H1169-C1178 PolarHBondContact NE2-SG 3.27Å; H1169-V1180 HydrophobicContact CB-CG1 4.48Å; H1169-C1183 PolarHBondContact CD2-SG 2.92Å
1170S87.4Confident84.8Confident9 Ų974.8 Ų74.86%0.06335%0.345CS..Hα-helixtrans-64.3-21.318076.50000114.2C1166 C1167 Y1168 L1186C1166-S1170 WeakPolarHBondContact O-CB 3.41Å; C1166-S1170 PolarHBondContact O-N 3.34Å; C1167-S1170 PolarHBondContact O-N 2.99Å; C1167-S1170 PolarHBondContact O-OG 2.84Å; Y1168-S1170 VanDerWaalsContact C-N 3.3Å; Y1168-S1170 PolarHBondContact O-N 2.81Å; S1170-L1186 VanDerWaalsContact CB-CB 3.49Å; S1170-L1186 WeakPolarHBondContact OG-CB 3.38Å
1171K81.3Confident85.2Confident140 Ų14067.7 Ų67.761%0.60932%0.32SS*.Hα-helixtrans-78.8-36175.9-63.5179.8177.6-175.50112.9Y1168 H1169 M1190Y1168-K1171 WeakPolarHBondContact O-CB 3.46Å; Y1168-K1171 PolarHBondContact O-N 3.14Å; H1169-K1171 PolarHBondContact O-N 3.19Å; K1171-M1190 HydrophobicContact CG-SD 3.85Å
1172T80.9Confident85.6Confident76 Ų7668.1 Ų68.147%0.46632%0.324SS..Hα-helixtrans-105.2-17.2-172.456.10000114H1169 H1174H1169-T1172 PolarHBondContact O-N 2.74Å; T1172-H1174 PolarHBondContact O-CE1 2.86Å; T1172-H1174 PolarHBondContact O-ND1 2.81Å
1173C84.3Confident85.8Confident20 Ų2068.1 Ų68.114%0.13532%0.324CS..  trans-69.4132.6177.9176.30000111.8H1169 K1187H1169-C1173 VanDerWaalsContact NE2-CB 3.3Å; H1169-C1173 WeakPolarHBondContact NE2-CB 3.4Å; H1169-C1173 PolarHBondContact NE2-SG 3.28Å; H1169-C1173 VanDerWaalsContact NE2-SG 3.38Å; H1169-C1173 WeakPolarHBondContact O-CB 3.34Å; H1169-C1173 PolarHBondContact O-N 2.77Å; C1173-K1187 VanDerWaalsContact C-NZ 3.32Å; C1173-K1187 WeakPolarHBondContact O-CE 3.5Å; C1173-K1187 PolarHBondContact O-NZ 3.12Å; C1173-K1187 PolarHBondContact SG-NZ 3.33Å; C1173-K1187 VanDerWaalsContact SG-NZ 3.44Å
1174H84.3Confident85.9Confident178 Ų17866.4 Ų66.482%0.82433%0.326SS*.  trans-102.3-18.4178.3-74.365.6000113.8T1172T1172-H1174 PolarHBondContact O-CE1 2.86Å; T1172-H1174 PolarHBondContact O-ND1 2.81Å
1175E80Confident86.2Confident98 Ų9866.5 Ų66.546%0.45833%0.33SS..  trans-64.6144.4-176.2-74.3-173-148.200115.6Y1125 C1178 K1187Y1125-E1175 VanDerWaalsContact CE1-OE2 3.22Å; Y1125-E1175 WeakPolarHBondContact CE1-OE2 3.44Å; Y1125-E1175 VanDerWaalsContact CZ-OE2 3.27Å; Y1125-E1175 PolarHBondContact OH-OE1 3.33Å; Y1125-E1175 PolarHBondContact OH-OE2 2.95Å; E1175-C1178 HydrophobicContact CB-CB 4.42Å; E1175-K1187 PolarHBondContact O-NZ 3.39Å
1176L75.9Confident86.3Confident176 Ų17667.4 Ų67.492%0.92133%0.334SS*.SBendtrans-77.2-36.9176.8-77.1162.9000114
1177K83.9Confident86.2Confident187 Ų18769.6 Ų69.681%0.81334%0.344SS*.SBendtrans-115.856.1-177.3-71.5-172.9177.1178.80111.6
1178C89.4Confident86.2Confident12 Ų1270.9 Ų70.98%0.08136%0.357CS..  trans-69.7133.4-172.5-1720000113.6Y1125 H1169 E1175 C1183Y1125-C1178 VanDerWaalsContact OH-CA 3.28Å; Y1125-C1178 WeakPolarHBondContact OH-CA 3.41Å; Y1125-C1178 PolarHBondContact OH-SG 3.33Å; H1169-C1178 PolarHBondContact NE2-SG 3.27Å; E1175-C1178 HydrophobicContact CB-CB 4.42Å; C1178-C1183 HydrophobicContact CB-CB 4.26Å
1179L90.8Very high86.2Confident91 Ų9174.4 Ų74.448%0.47637%0.373SS..  trans-83.5-10.6-179.9-62.3179.2000114.5C1124 Y1125 R1147C1124-L1179 HydrophobicContact CB-CB 4.12Å; C1124-L1179 WeakPolarHBondContact O-CD1 3.4Å; Y1125-L1179 HydrophobicContact CD1-CD1 3.82Å; Y1125-L1179 HydrophobicContact CD1-CG 4.33Å; Y1125-L1179 HydrophobicContact CD2-CB 4.09Å; Y1125-L1179 HydrophobicContact CD2-CD1 4.32Å; Y1125-L1179 HydrophobicContact CE1-CB 4.49Å; Y1125-L1179 HydrophobicContact CE1-CD1 4.13Å; Y1125-L1179 HydrophobicContact CE1-CG 4.15Å; Y1125-L1179 HydrophobicContact CE2-CB 3.84Å; Y1125-L1179 HydrophobicContact CE2-CG 4.38Å; Y1125-L1179 HydrophobicContact CG-CD1 3.94Å; Y1125-L1179 PolarHBondContact OH-N 2.88Å; R1147-L1179 PolarHBondContact NH2-O 2.74Å
1180V91.4Very high85.7Confident3 Ų376.5 Ų76.52%0.01838%0.384CS..SBendtrans-67.1131.3177.7172.60000110L1120 C1124 Y1125 H1169 C1183L1120-V1180 HydrophobicContact CD1-CG1 4.18Å; L1120-V1180 HydrophobicContact CD2-CG1 3.65Å; L1120-V1180 HydrophobicContact CG-CG1 3.73Å; L1120-V1180 HydrophobicContact CG-CG2 4.3Å; C1124-V1180 HydrophobicContact CB-CG2 4.06Å; Y1125-V1180 HydrophobicContact CE2-CG2 4.44Å; H1169-V1180 HydrophobicContact CB-CG1 4.48Å; V1180-C1183 HydrophobicContact CB-CB 4.04Å; V1180-C1183 HydrophobicContact CG1-CB 4.25Å; V1180-C1183 WeakPolarHBondContact O-CB 3.4Å; V1180-C1183 PolarHBondContact O-N 3.14Å
1181P89Confident85.4Confident17 Ų1783.6 Ų83.611%0.1141%0.414CS..THydrogen-bonded Turntrans-50.8143.7179.3-2733.4000112.7V1143 F1146 C1166 C1183V1143-P1181 HydrophobicContact CG1-CG 3.87Å; F1146-P1181 HydrophobicContact CD1-CB 3.74Å; F1146-P1181 HydrophobicContact CD1-CG 4.22Å; F1146-P1181 HydrophobicContact CE1-CB 3.76Å; C1166-P1181 WeakPolarHBondContact CB-O 3.29Å; C1166-P1181 PolarHBondContact SG-O 2.71Å; P1181-C1183 PolarHBondContact O-N 3.32Å
1182L89.8Confident85.3Confident49 Ų4982.9 Ų82.926%0.25741%0.413SS..THydrogen-bonded Turntrans56.7-13.6-178-59.8176.9000117.1F1146 Y1163 C1166 K1185 L1186F1146-L1182 HydrophobicContact CE1-CD1 3.98Å; F1146-L1182 HydrophobicContact CE1-CG 4.16Å; F1146-L1182 HydrophobicContact CZ-CD1 3.7Å; F1146-L1182 HydrophobicContact CZ-CG 4.37Å; Y1163-L1182 HydrophobicContact CD2-CD1 3.55Å; Y1163-L1182 HydrophobicContact CE2-CD1 3.82Å; C1166-L1182 HydrophobicContact CB-CB 4.43Å; L1182-K1185 CarbonylContact O-C 3.48Å; L1182-K1185 WeakPolarHBondContact O-CA 3.42Å; L1182-K1185 PolarHBondContact O-N 2.97Å; L1182-L1186 HydrophobicContact CB-CD1 3.52Å; L1182-L1186 HydrophobicContact CB-CG 3.99Å; L1182-L1186 HydrophobicContact CD1-CD1 4.45Å; L1182-L1186 PolarHBondContact O-N 3.44Å
1183C92.4Very high85.1Confident0 Ų083.8 Ų83.80%041%0.412CS..Hα-helixtrans-50.7-45.3-174.8178.50000113.1H1169 C1178 V1180 P1181 K1185 L1186 K1187H1169-C1183 PolarHBondContact CD2-SG 2.92Å; C1178-C1183 HydrophobicContact CB-CB 4.26Å; V1180-C1183 HydrophobicContact CB-CB 4.04Å; V1180-C1183 HydrophobicContact CG1-CB 4.25Å; V1180-C1183 WeakPolarHBondContact O-CB 3.4Å; V1180-C1183 PolarHBondContact O-N 3.14Å; P1181-C1183 PolarHBondContact O-N 3.32Å; C1183-K1185 PolarHBondContact O-N 2.78Å; C1183-L1186 PolarHBondContact O-N 3.32Å; C1183-K1187 VanDerWaalsContact O-CB 3.24Å; C1183-K1187 WeakPolarHBondContact O-CB 3.26Å; C1183-K1187 WeakPolarHBondContact O-CG 3.2Å; C1183-K1187 PolarHBondContact O-N 2.91Å
1184P87.7Confident84.6Confident71 Ų7187.4 Ų87.446%0.46143%0.426SS..Hα-helixtrans-62.4-40174.4-24.335.5000114.2A1188P1184-A1188 VanDerWaalsContact O-CB 3.3Å; P1184-A1188 WeakPolarHBondContact O-CB 3.05Å; P1184-A1188 PolarHBondContact O-N 3.45Å
1185K87.6Confident83.9Confident160 Ų16086.1 Ų86.170%0.69642%0.418SS*.Hα-helixtrans-70.5-40.5177.4-74.5-168.5175.3-172.90111.9L1182 C1183 A1188 K1189L1182-K1185 CarbonylContact O-C 3.48Å; L1182-K1185 WeakPolarHBondContact O-CA 3.42Å; L1182-K1185 PolarHBondContact O-N 2.97Å; C1183-K1185 PolarHBondContact O-N 2.78Å; K1185-A1188 PolarHBondContact O-N 2.84Å; K1185-K1189 WeakPolarHBondContact O-CB 3.29Å; K1185-K1189 PolarHBondContact O-N 2.98Å
1186L89.4Confident83.6Confident21 Ų2187 Ų8711%0.1142%0.422CS..Hα-helixtrans-71.2-40.2178.8-69.7164.9000111.1C1166 S1170 L1182 C1183 K1189 M1190C1166-L1186 HydrophobicContact CB-CD1 3.9Å; S1170-L1186 VanDerWaalsContact CB-CB 3.49Å; S1170-L1186 WeakPolarHBondContact OG-CB 3.38Å; L1182-L1186 HydrophobicContact CB-CD1 3.52Å; L1182-L1186 HydrophobicContact CB-CG 3.99Å; L1182-L1186 HydrophobicContact CD1-CD1 4.45Å; L1182-L1186 PolarHBondContact O-N 3.44Å; C1183-L1186 PolarHBondContact O-N 3.32Å; L1186-K1189 PolarHBondContact O-N 3.01Å; L1186-M1190 VanDerWaalsContact O-CB 3.26Å; L1186-M1190 WeakPolarHBondContact O-CB 3.46Å; L1186-M1190 WeakPolarHBondContact O-CG 3.5Å; L1186-M1190 PolarHBondContact O-N 3.34Å
1187K87.6Confident83.2Confident46 Ų4683.5 Ų83.520%0.240%0.402CS..Hα-helixtrans-59.9-43.7167.1-80.3-172.1174.7-164.10112.2C1173 E1175 C1183 M1190 K1191C1173-K1187 VanDerWaalsContact C-NZ 3.32Å; C1173-K1187 WeakPolarHBondContact O-CE 3.5Å; C1173-K1187 PolarHBondContact O-NZ 3.12Å; C1173-K1187 PolarHBondContact SG-NZ 3.33Å; C1173-K1187 VanDerWaalsContact SG-NZ 3.44Å; E1175-K1187 PolarHBondContact O-NZ 3.39Å; C1183-K1187 VanDerWaalsContact O-CB 3.24Å; C1183-K1187 WeakPolarHBondContact O-CB 3.26Å; C1183-K1187 WeakPolarHBondContact O-CG 3.2Å; C1183-K1187 PolarHBondContact O-N 2.91Å; K1187-M1190 PolarHBondContact O-N 3.08Å; K1187-K1191 WeakPolarHBondContact O-CB 3.47Å; K1187-K1191 PolarHBondContact O-N 3.36Å
1188A83.9Confident82.4Confident59 Ų5981.5 Ų81.549%0.48839%0.389SS..Hα-helixtrans-62-46.6176.700000111.2P1184 K1185 K1191 Q1192P1184-A1188 VanDerWaalsContact O-CB 3.3Å; P1184-A1188 WeakPolarHBondContact O-CB 3.05Å; P1184-A1188 PolarHBondContact O-N 3.45Å; K1185-A1188 PolarHBondContact O-N 2.84Å; A1188-K1191 PolarHBondContact O-N 3.24Å; A1188-Q1192 VanDerWaalsContact O-CB 3.31Å; A1188-Q1192 WeakPolarHBondContact O-CB 3.31Å; A1188-Q1192 PolarHBondContact O-N 2.9Å
1189K83.7Confident81.3Confident133 Ų13385.7 Ų85.758%0.57841%0.41SS*.Hα-helixtrans-61.6-46.7175.1-170.9176-178.9179.80111.8K1185 L1186 Q1192 Q1193K1185-K1189 WeakPolarHBondContact O-CB 3.29Å; K1185-K1189 PolarHBondContact O-N 2.98Å; L1186-K1189 PolarHBondContact O-N 3.01Å; K1189-Q1192 PolarHBondContact O-N 3.36Å; K1189-Q1193 WeakPolarHBondContact O-CB 3.42Å; K1189-Q1193 PolarHBondContact O-N 3.43Å
1190M80.2Confident80Confident60 Ų6087.7 Ų87.730%0.29642%0.415SS..Hα-helixtrans-62.9-40.7175.5-81.5-113.358.100112.2K1171 L1186 K1187 Q1193 Q1194K1171-M1190 HydrophobicContact CG-SD 3.85Å; L1186-M1190 VanDerWaalsContact O-CB 3.26Å; L1186-M1190 WeakPolarHBondContact O-CB 3.46Å; L1186-M1190 WeakPolarHBondContact O-CG 3.5Å; L1186-M1190 PolarHBondContact O-N 3.34Å; K1187-M1190 PolarHBondContact O-N 3.08Å; M1190-Q1193 PolarHBondContact O-N 2.94Å; M1190-Q1194 WeakPolarHBondContact O-CA 3.42Å; M1190-Q1194 WeakPolarHBondContact O-CB 3.05Å; M1190-Q1194 PolarHBondContact O-N 2.8Å
1191K79.7Confident78.5Confident158 Ų15892.9 Ų92.969%0.68744%0.439SS*.Hα-helixtrans-73.1-30178.5-161.3169.4-171.6174.90111.7K1187 A1188 K1195K1187-K1191 WeakPolarHBondContact O-CB 3.47Å; K1187-K1191 PolarHBondContact O-N 3.36Å; A1188-K1191 PolarHBondContact O-N 3.24Å; K1191-K1195 WeakPolarHBondContact O-CB 3.38Å; K1191-K1195 PolarHBondContact O-N 2.89Å
1192Q80.3Confident77.1Confident126 Ų12695.9 Ų95.959%0.58946%0.457SS*.Hα-helixtrans-71-44.1169-175.9175.24.100111.6A1188 K1189 K1195 Q1196A1188-Q1192 VanDerWaalsContact O-CB 3.31Å; A1188-Q1192 WeakPolarHBondContact O-CB 3.31Å; A1188-Q1192 PolarHBondContact O-N 2.9Å; K1189-Q1192 PolarHBondContact O-N 3.36Å; Q1192-K1195 CarbonylContact O-C 3.6Å; Q1192-K1195 PolarHBondContact O-N 2.8Å; Q1192-Q1196 WeakPolarHBondContact O-CB 3.26Å; Q1192-Q1196 WeakPolarHBondContact O-CG 3.15Å; Q1192-Q1196 PolarHBondContact O-N 3.04Å
1193Q76.5Confident75.7Confident95 Ų9599.6 Ų99.644%0.44447%0.473SS..Hα-helixtrans-68.2-36.3177.7-168.4171.816.600111.7K1189 M1190 Q1196 Q1197K1189-Q1193 WeakPolarHBondContact O-CB 3.42Å; K1189-Q1193 PolarHBondContact O-N 3.43Å; M1190-Q1193 PolarHBondContact O-N 2.94Å; Q1193-Q1196 CarbonylContact O-C 3.53Å; Q1193-Q1196 PolarHBondContact O-N 2.93Å; Q1193-Q1197 WeakPolarHBondContact O-CB 3.24Å; Q1193-Q1197 WeakPolarHBondContact O-CG 3.38Å; Q1193-Q1197 PolarHBondContact O-N 3.01Å
1194Q72.3Confident73.9Confident96 Ų96101.2 Ų101.245%0.44948%0.481SS..Hα-helixtrans-75.4-29.8172.1-167.1-174.748.400111.5M1190 R1198M1190-Q1194 WeakPolarHBondContact O-CA 3.42Å; M1190-Q1194 WeakPolarHBondContact O-CB 3.05Å; M1190-Q1194 PolarHBondContact O-N 2.8Å; Q1194-R1198 VanDerWaalsContact O-CB 3.25Å; Q1194-R1198 WeakPolarHBondContact O-CB 3.25Å; Q1194-R1198 WeakPolarHBondContact O-CG 3.3Å; Q1194-R1198 PolarHBondContact O-N 3.27Å
1195K70.2Confident72.3Confident150 Ų150102.2 Ų102.265%0.65248%0.482SS*.Hα-helixtrans-70.4-33.8168-172.7174.7-177.5-179.90111.5K1191 Q1192 L1199K1191-K1195 WeakPolarHBondContact O-CB 3.38Å; K1191-K1195 PolarHBondContact O-N 2.89Å; Q1192-K1195 CarbonylContact O-C 3.6Å; Q1192-K1195 PolarHBondContact O-N 2.8Å; K1195-L1199 VanDerWaalsContact O-CB 3.27Å; K1195-L1199 WeakPolarHBondContact O-CB 3.4Å; K1195-L1199 WeakPolarHBondContact O-CG 3.38Å; K1195-L1199 PolarHBondContact O-N 3.35Å
1196Q75Confident70.5Confident117 Ų117104 Ų10455%0.54748%0.484SS..Hα-helixtrans-71.6-39.7170.7-76.6177.1-19.300112.3Q1192 Q1193 L1199 K1200Q1192-Q1196 WeakPolarHBondContact O-CB 3.26Å; Q1192-Q1196 WeakPolarHBondContact O-CG 3.15Å; Q1192-Q1196 PolarHBondContact O-N 3.04Å; Q1193-Q1196 CarbonylContact O-C 3.53Å; Q1193-Q1196 PolarHBondContact O-N 2.93Å; Q1196-L1199 PolarHBondContact O-N 2.97Å; Q1196-K1200 WeakPolarHBondContact O-CB 3.07Å; Q1196-K1200 PolarHBondContact O-N 2.95Å
1197Q66.4Low68.4Low103 Ų103110.4 Ų110.448%0.48151%0.507SS..Hα-helixtrans-66.6-43.8171.9-81.3179.2-48.600111.2Q1193 K1200 Q1201Q1193-Q1197 WeakPolarHBondContact O-CB 3.24Å; Q1193-Q1197 WeakPolarHBondContact O-CG 3.38Å; Q1193-Q1197 PolarHBondContact O-N 3.01Å; Q1197-K1200 CarbonylContact O-C 3.6Å; Q1197-K1200 PolarHBondContact O-N 3.14Å; Q1197-Q1201 VanDerWaalsContact O-CB 3.22Å; Q1197-Q1201 WeakPolarHBondContact O-CB 3.46Å; Q1197-Q1201 VanDerWaalsContact O-CG 3.27Å; Q1197-Q1201 WeakPolarHBondContact O-CG 3.46Å; Q1197-Q1201 PolarHBondContact O-N 2.89Å
1198R66.6Low66.3Low144 Ų144113 Ų11354%0.54352%0.515SS..Hα-helixtrans-62.3-41.3171.6-75.9-172.6-177.1-147.7-0.2111Q1194 K1200 Q1201 T1202Q1194-R1198 VanDerWaalsContact O-CB 3.25Å; Q1194-R1198 WeakPolarHBondContact O-CB 3.25Å; Q1194-R1198 WeakPolarHBondContact O-CG 3.3Å; Q1194-R1198 PolarHBondContact O-N 3.27Å; R1198-K1200 PolarHBondContact O-N 2.93Å; R1198-Q1201 CarbonylContact O-C 3.58Å; R1198-Q1201 PolarHBondContact O-N 3.35Å; R1198-T1202 VanDerWaalsContact O-CB 3.27Å; R1198-T1202 WeakPolarHBondContact O-CB 3.31Å; R1198-T1202 PolarHBondContact O-N 3.08Å; R1198-T1202 PolarHBondContact O-OG1 3.14Å
1199L67Low64.6Low100 Ų100113.4 Ų113.452%0.52451%0.508SS..Hα-helixtrans-60.8-43.3172.1-92.5161.3000112.4K1195 Q1196 T1202 Q1203K1195-L1199 VanDerWaalsContact O-CB 3.27Å; K1195-L1199 WeakPolarHBondContact O-CB 3.4Å; K1195-L1199 WeakPolarHBondContact O-CG 3.38Å; K1195-L1199 PolarHBondContact O-N 3.35Å; Q1196-L1199 PolarHBondContact O-N 2.97Å; L1199-T1202 PolarHBondContact O-N 2.59Å; L1199-Q1203 WeakPolarHBondContact O-CB 3.46Å; L1199-Q1203 WeakPolarHBondContact O-CG 3.38Å; L1199-Q1203 PolarHBondContact O-N 2.9Å
1200K64.2Low62.6Low134 Ų134109.3 Ų109.358%0.58350%0.499SS*.Hα-helixtrans-63.2-46.6172.5-85.3-169.1171.2-172.90111.9Q1196 Q1197 R1198 T1202 Q1203 M1204Q1196-K1200 WeakPolarHBondContact O-CB 3.07Å; Q1196-K1200 PolarHBondContact O-N 2.95Å; Q1197-K1200 CarbonylContact O-C 3.6Å; Q1197-K1200 PolarHBondContact O-N 3.14Å; R1198-K1200 PolarHBondContact O-N 2.93Å; K1200-T1202 VanDerWaalsContact C-N 3.32Å; K1200-T1202 PolarHBondContact O-N 3.44Å; K1200-Q1203 CarbonylContact O-C 3.51Å; K1200-Q1203 PolarHBondContact O-N 3.34Å; K1200-Q1203 VanDerWaalsContact O-N 3.14Å; K1200-M1204 WeakPolarHBondContact O-CA 3.23Å; K1200-M1204 WeakPolarHBondContact O-CB 3.25Å; K1200-M1204 PolarHBondContact O-N 3.47Å
1201Q58.1Low60.8Low112 Ų112110.4 Ų110.452%0.52351%0.509SS..Hα-helixtrans-70.8-20.8179.4-75.3174.5-36.500113.3Q1197 R1198 M1204 L1205Q1197-Q1201 VanDerWaalsContact O-CB 3.22Å; Q1197-Q1201 WeakPolarHBondContact O-CB 3.46Å; Q1197-Q1201 VanDerWaalsContact O-CG 3.27Å; Q1197-Q1201 WeakPolarHBondContact O-CG 3.46Å; Q1197-Q1201 PolarHBondContact O-N 2.89Å; R1198-Q1201 CarbonylContact O-C 3.58Å; R1198-Q1201 PolarHBondContact O-N 3.35Å; Q1201-M1204 CarbonylContact O-C 3.49Å; Q1201-M1204 VanDerWaalsContact O-CA 3.27Å; Q1201-M1204 WeakPolarHBondContact O-CA 3.48Å; Q1201-L1205 WeakPolarHBondContact O-CB 3.46Å; Q1201-L1205 PolarHBondContact O-N 3.13Å
1202T60Low58.6Low79 Ų79107.5 Ų107.549%0.48550%0.499SS..Hα-helixtrans-87.8-28167.6-57.30000111R1198 L1199 K1200 L1205 R1206R1198-T1202 VanDerWaalsContact O-CB 3.27Å; R1198-T1202 WeakPolarHBondContact O-CB 3.31Å; R1198-T1202 PolarHBondContact O-N 3.08Å; R1198-T1202 PolarHBondContact O-OG1 3.14Å; L1199-T1202 PolarHBondContact O-N 2.59Å; K1200-T1202 VanDerWaalsContact C-N 3.32Å; K1200-T1202 PolarHBondContact O-N 3.44Å; T1202-L1205 PolarHBondContact O-N 2.9Å; T1202-R1206 VanDerWaalsContact O-CB 3.27Å; T1202-R1206 WeakPolarHBondContact O-CB 3.47Å; T1202-R1206 PolarHBondContact O-N 3.49Å
1203Q61.3Low56.5Low128 Ų128107 Ų10760%0.59850%0.497SS*.Hα-helixtrans-71.5-56.3169.7-82.6-173.2-2500112.6L1199 K1200 R1207L1199-Q1203 WeakPolarHBondContact O-CB 3.46Å; L1199-Q1203 WeakPolarHBondContact O-CG 3.38Å; L1199-Q1203 PolarHBondContact O-N 2.9Å; K1200-Q1203 CarbonylContact O-C 3.51Å; K1200-Q1203 PolarHBondContact O-N 3.34Å; K1200-Q1203 VanDerWaalsContact O-N 3.14Å; Q1203-R1207 VanDerWaalsContact O-CB 3.25Å; Q1203-R1207 WeakPolarHBondContact O-CB 3.48Å; Q1203-R1207 VanDerWaalsContact O-CG 3.3Å; Q1203-R1207 WeakPolarHBondContact O-CG 3.29Å; Q1203-R1207 PolarHBondContact O-N 3.21Å
1204M55Low54.4Low33 Ų33112 Ų11216%0.16351%0.512CS..Hα-helix42.8-127.2100.4-75.4-158.2-30.300118.1S587 K1200 Q1201 R1206 R1207 R1208S587-M1204 VanDerWaalsContact O-CG 3.24Å; S587-M1204 WeakPolarHBondContact O-CG 3.5Å; K1200-M1204 WeakPolarHBondContact O-CA 3.23Å; K1200-M1204 WeakPolarHBondContact O-CB 3.25Å; K1200-M1204 PolarHBondContact O-N 3.47Å; Q1201-M1204 CarbonylContact O-C 3.49Å; Q1201-M1204 VanDerWaalsContact O-CA 3.27Å; Q1201-M1204 WeakPolarHBondContact O-CA 3.48Å; M1204-R1206 VanDerWaalsContact C-N 3.26Å; M1204-R1206 PolarHBondContact O-N 3.44Å; M1204-R1207 CarbonylContact O-C 3.55Å; M1204-R1207 WeakPolarHBondContact O-CA 3.46Å; M1204-R1207 WeakPolarHBondContact O-CB 3.41Å; M1204-R1207 PolarHBondContact O-N 3.4Å; M1204-R1208 HydrophobicContact CG-CG 4.46Å; M1204-R1208 PolarHBondContact O-N 2.79Å
1205L53.4Low52.5Low92 Ų92111.9 Ų111.948%0.48252%0.52SS..Hα-helixtrans-60-33-178-159.466.4000111.8Q1201 T1202 R1208 M1209Q1201-L1205 WeakPolarHBondContact O-CB 3.46Å; Q1201-L1205 PolarHBondContact O-N 3.13Å; T1202-L1205 PolarHBondContact O-N 2.9Å; L1205-R1208 PolarHBondContact O-N 3.41Å; L1205-M1209 HydrophobicContact CD2-CE 4.36Å; L1205-M1209 HydrophobicContact CG-CE 4.32Å; L1205-M1209 HydrophobicContact CG-CG 4.41Å; L1205-M1209 HydrophobicContact CG-SD 4.09Å; L1205-M1209 WeakPolarHBondContact O-CA 3.45Å; L1205-M1209 WeakPolarHBondContact O-CB 3.32Å; L1205-M1209 WeakPolarHBondContact O-CG 3.4Å; L1205-M1209 PolarHBondContact O-N 3.41Å
1206R49.2Very low50.6Low197 Ų197110 Ų11074%0.74352%0.517SS*.Hα-helixtrans-64.3-37.5170-84.8-172.4165.2-179.9-3.8112.9T1202 M1204 A1210T1202-R1206 VanDerWaalsContact O-CB 3.27Å; T1202-R1206 WeakPolarHBondContact O-CB 3.47Å; T1202-R1206 PolarHBondContact O-N 3.49Å; M1204-R1206 VanDerWaalsContact C-N 3.26Å; M1204-R1206 PolarHBondContact O-N 3.44Å; R1206-A1210 WeakPolarHBondContact O-CB 3.11Å; R1206-A1210 PolarHBondContact O-N 3.26Å
1207R46.7Very low48.2Very low156 Ų156107.3 Ų107.359%0.58951%0.512SS*.Hα-helixtrans-69.1-48.5172-81.5-179.6171.1-163-4.7110.2N588 Q1203 M1204 M1209 A1210 T1211N588-R1207 PolarHBondContact OD1-NH1 2.91Å; Q1203-R1207 VanDerWaalsContact O-CB 3.25Å; Q1203-R1207 WeakPolarHBondContact O-CB 3.48Å; Q1203-R1207 VanDerWaalsContact O-CG 3.3Å; Q1203-R1207 WeakPolarHBondContact O-CG 3.29Å; Q1203-R1207 PolarHBondContact O-N 3.21Å; M1204-R1207 CarbonylContact O-C 3.55Å; M1204-R1207 WeakPolarHBondContact O-CA 3.46Å; M1204-R1207 WeakPolarHBondContact O-CB 3.41Å; M1204-R1207 PolarHBondContact O-N 3.4Å; R1207-M1209 VanDerWaalsContact C-N 3.32Å; R1207-M1209 PolarHBondContact O-N 3.38Å; R1207-A1210 PolarHBondContact O-N 3.36Å; R1207-T1211 WeakPolarHBondContact O-CB 3.42Å; R1207-T1211 PolarHBondContact O-N 3.31Å; R1207-T1211 PolarHBondContact O-OG1 2.84Å
1208R42.7Very low46.3Very low101 Ų101110.4 Ų110.438%0.38153%0.528SS..Hα-helixtrans-60.8-37.5176.7-74-174171-166.8-4.2112.3D583 M1204 L1205 M1212D583-R1208 IonicContact OD1-CZ 2.7Å; D583-R1208 IonicContact OD1-NH2 2.78Å; D583-R1208 PolarHBondContact OD1-NH2 2.82Å; D583-R1208 IonicContact OD2-CZ 3.2Å; D583-R1208 IonicContact OD2-NH1 3.84Å; D583-R1208 IonicContact OD2-NH2 2.75Å; D583-R1208 PolarHBondContact OD2-NH2 2.96Å; M1204-R1208 HydrophobicContact CG-CG 4.46Å; M1204-R1208 PolarHBondContact O-N 2.79Å; L1205-R1208 PolarHBondContact O-N 3.41Å; R1208-M1212 PolarHBondContact O-N 2.99Å
1209M48.1Very low44.6Very low68 Ų68110.3 Ų110.334%0.33554%0.544SS..Hα-helixtrans-72.7-44.4174.3-75.5173.3155.300112.7L1205 R1207 T1211 M1212 Q1213L1205-M1209 HydrophobicContact CD2-CE 4.36Å; L1205-M1209 HydrophobicContact CG-CE 4.32Å; L1205-M1209 HydrophobicContact CG-CG 4.41Å; L1205-M1209 HydrophobicContact CG-SD 4.09Å; L1205-M1209 WeakPolarHBondContact O-CA 3.45Å; L1205-M1209 WeakPolarHBondContact O-CB 3.32Å; L1205-M1209 WeakPolarHBondContact O-CG 3.4Å; L1205-M1209 PolarHBondContact O-N 3.41Å; R1207-M1209 VanDerWaalsContact C-N 3.32Å; R1207-M1209 PolarHBondContact O-N 3.38Å; M1209-T1211 PolarHBondContact O-N 3.29Å; M1209-M1212 HydrophobicContact CG-CE 4.2Å; M1209-M1212 PolarHBondContact O-N 3.04Å; M1209-M1212 VanDerWaalsContact O-N 3.12Å; M1209-Q1213 WeakPolarHBondContact O-CB 3.49Å; M1209-Q1213 WeakPolarHBondContact O-CG 3.45Å; M1209-Q1213 PolarHBondContact O-N 2.89Å
1210A42.6Very low42.9Very low47 Ų47111.3 Ų111.339%0.38856%0.556SS.*Hα-helixtrans-64.3-29.6174.100000112.3R1206 R1207 R1214R1206-A1210 WeakPolarHBondContact O-CB 3.11Å; R1206-A1210 PolarHBondContact O-N 3.26Å; R1207-A1210 PolarHBondContact O-N 3.36Å; A1210-R1214 WeakPolarHBondContact O-CG 3.31Å; A1210-R1214 PolarHBondContact O-N 3.19Å
1211T41.1Very low41.3Very low83 Ų83112.4 Ų112.451%0.50957%0.569SS.*Hα-helixtrans-70.5-47168.3-62.20000110.9R1207 M1209 Q1213 R1214 C1215R1207-T1211 WeakPolarHBondContact O-CB 3.42Å; R1207-T1211 PolarHBondContact O-N 3.31Å; R1207-T1211 PolarHBondContact O-OG1 2.84Å; M1209-T1211 PolarHBondContact O-N 3.29Å; T1211-Q1213 VanDerWaalsContact C-N 3.33Å; T1211-Q1213 PolarHBondContact O-N 3.18Å; T1211-R1214 CarbonylContact O-C 3.53Å; T1211-R1214 PolarHBondContact O-N 2.98Å; T1211-R1214 VanDerWaalsContact O-N 3.07Å; T1211-C1215 PolarHBondContact O-N 2.87Å; T1211-C1215 PolarHBondContact O-SG 3.27Å
1212M33.7Very low39.9Very low96 Ų96114.3 Ų114.347%0.47358%0.577SS.*Hα-helixtrans-57.3-42.8174.5-84.4-161.9-73.100113R1208 M1209 R1214 C1215 N1216R1208-M1212 PolarHBondContact O-N 2.99Å; M1209-M1212 HydrophobicContact CG-CE 4.2Å; M1209-M1212 PolarHBondContact O-N 3.04Å; M1209-M1212 VanDerWaalsContact O-N 3.12Å; M1212-R1214 VanDerWaalsContact C-N 3.28Å; M1212-R1214 PolarHBondContact O-N 2.87Å; M1212-C1215 PolarHBondContact O-N 3.45Å; M1212-N1216 PolarHBondContact O-N 3.08Å
1213Q36Very low38.8Very low116 Ų116117.5 Ų117.554%0.54259%0.586SS.*Hα-helixtrans-69-24177.1-73.4176.8-32.200112.8M1209 T1211M1209-Q1213 WeakPolarHBondContact O-CB 3.49Å; M1209-Q1213 WeakPolarHBondContact O-CG 3.45Å; M1209-Q1213 PolarHBondContact O-N 2.89Å; T1211-Q1213 VanDerWaalsContact C-N 3.33Å; T1211-Q1213 PolarHBondContact O-N 3.18Å
1214R33.9Very low37.4Very low201 Ų201116.8 Ų116.876%0.75859%0.593SS**Hα-helixtrans-81.3-30.8169-76.6-178.5173.8-160-3.7112.9A1210 T1211 M1212 N1216 S1217A1210-R1214 WeakPolarHBondContact O-CG 3.31Å; A1210-R1214 PolarHBondContact O-N 3.19Å; T1211-R1214 CarbonylContact O-C 3.53Å; T1211-R1214 PolarHBondContact O-N 2.98Å; T1211-R1214 VanDerWaalsContact O-N 3.07Å; M1212-R1214 VanDerWaalsContact C-N 3.28Å; M1212-R1214 PolarHBondContact O-N 2.87Å; R1214-N1216 VanDerWaalsContact C-N 3.28Å; R1214-N1216 PolarHBondContact O-N 3.23Å; R1214-S1217 PolarHBondContact O-N 2.83Å; R1214-S1217 VanDerWaalsContact O-N 3.11Å; R1214-S1217 PolarHBondContact O-OG 3.3Å
1215C32.4Very low36.3Very low93 Ų93120.5 Ų120.563%0.62862%0.618SS**Hα-helixtrans-72.1-14.6178.6-69.90000114.5T1211 M1212 S1217T1211-C1215 PolarHBondContact O-N 2.87Å; T1211-C1215 PolarHBondContact O-SG 3.27Å; M1212-C1215 PolarHBondContact O-N 3.45Å; C1215-S1217 PolarHBondContact O-N 2.87Å
1216N28.3Very low35.7Very low109 Ų109121.6 Ų121.658%0.58363%0.63SS**THydrogen-bonded Turntrans-8415.3167.1-88.39.2000113.2K883 E887 M1212 R1214K883-N1216 PolarHBondContact NZ-ND2 3.5Å; K883-N1216 VanDerWaalsContact NZ-ND2 3.14Å; E887-N1216 PolarHBondContact OE2-ND2 3.36Å; M1212-N1216 PolarHBondContact O-N 3.08Å; R1214-N1216 VanDerWaalsContact C-N 3.28Å; R1214-N1216 PolarHBondContact O-N 3.23Å
1217S25.5Very low35.4Very low62 Ų62117.4 Ų117.443%0.43463%0.629SS.*  trans-132.4148.7174.173.30000112R1214 C1215R1214-S1217 PolarHBondContact O-N 2.83Å; R1214-S1217 VanDerWaalsContact O-N 3.11Å; R1214-S1217 PolarHBondContact O-OG 3.3Å; C1215-S1217 PolarHBondContact O-N 2.87Å
1218M26Very low35Very low167 Ų167115 Ų11582%0.82363%0.633SS**  trans89.181.5-179.1-51.9-58.6104.300117
1219T32Very low34.3Very low142 Ų142115.1 Ų115.187%0.87165%0.65SS**  trans-82.6135149.542.30000110.3
1220P31.3Very low33.6Very low121 Ų121120.4 Ų120.479%0.78667%0.673SS**  trans-101.1139.4178.635.4-31.4000113.2
1221N29.8Very low32.8Very low158 Ų158124.2 Ų124.285%0.84569%0.687SS**  trans-160.9167.1132-139.3-21.1000114.1
1222H28.9Very low32.3Very low151 Ų151131.1 Ų131.170%0.69971%0.706SS**  trans-85.1140.8-169.5-83.5-102.8000115.9
1223Q37.8Very low32Very low146 Ų146133.7 Ų133.768%0.68272%0.716SS**  49.3139.9110-135.6171.34.600120.4
1224P31.3Very low31.7Very low113 Ų113136.1 Ų136.173%0.73473%0.728SS**  -140.612410533.8-19.1000114
1225T31.7Very low31.1Very low112 Ų112132 Ų13269%0.68773%0.729SS**  96.3162.384.872.50000112
1226P40Very low30.9Very low114 Ų114131.6 Ų131.674%0.7473%0.727SS**  trans-131.9-127.1-132.642.3-18.9000112.9
1227P43Very low30.9Very low110 Ų110134.8 Ų134.871%0.71474%0.738SS**  -113.7-142.1-53.140.6-23.2000109.6
1228P39.7Very low30.8Very low105 Ų105136.2 Ų136.268%0.68275%0.748SS**  cis-134.8-173.6-19.141.6-23.6000116.2
1229S27.7Very low30.9Very low104 Ų104133.6 Ų133.673%0.72775%0.746SS**  trans70.3149.3159.6-61.50000118.4
1230Q33.1Very low30.8Very low178 Ų178133 Ų13383%0.83274%0.742SS**  cis-154134.2-12.2-100.5158.9-15.100104.8
1231N26Very low30.6Very low127 Ų127132 Ų13268%0.67974%0.739SS**  75.786.165-159.760.6000117.1
1232Y30.5Very low30.6Very low229 Ų229131.7 Ų131.790%0.89874%0.737SS**  trans-159.2128.2155.2-88.3-72.5000104.9
1233Q27.1Very low30.4Very low150 Ų150129.1 Ų129.170%0.70173%0.734SS**  cis63.1125.126.4-96.6-176.2-1.200112.8
1234Q28.9Very low29.9Very low167 Ų167129.2 Ų129.278%0.7874%0.738SS**  cis-129.2156.615.1-86.4168.2-21.500111.6
1235C22.7Very low29.8Very low115 Ų115129.2 Ų129.278%0.77774%0.741SS**  58.5144.484.9-122.30000114.1
1236S26.8Very low29.7Very low84 Ų84129.3 Ų129.359%0.58775%0.746SS**  cis-162.7145.823.255.20000115.4
1237Q28.6Very low29.7Very low176 Ų176129 Ų12982%0.82274%0.744SS**  trans61.7154.7138.1-65.3167.636.500120.5
1238S24.1Very low28.9Very low91 Ų91131.3 Ų131.364%0.63675%0.748SS**  cis-174.7166.5-2558.30000110.8
1239S28.2Very low28.4Very low112 Ų112132 Ų13278%0.78375%0.754SS**  trans73154.4164.985.20000116.9
1240T30.1Very low28.5Very low129 Ų129133 Ų13379%0.79176%0.756SS**  cis-130.6169.5-150.70000112.5
1241S27.7Very low28.9Very low102 Ų102130 Ų13071%0.71375%0.752SS**  trans-59.6164.1162-39.80000111.6
1242D29.4Very low28.9Very low151 Ų151131.5 Ų131.581%0.80776%0.757SS**  -160.7-167.462.5-128.7-53.7000116.2
1243C24.5Very low28.9Very low96 Ų96128.6 Ų128.665%0.64975%0.751SS**  trans-110.7164.3-155.5590000117.3
1244I26.7Very low29Very low148 Ų148125.9 Ų125.976%0.75975%0.749SS**  trans160.2144.8134.3-84160.5000113.8
1245S30Very low29.6Very low114 Ų114121.8 Ų121.880%0.79774%0.739SS**  trans70125.8161.8-71.40000123.4
1246S29.4Very low30.8Very low113 Ų113122.1 Ų122.179%0.7974%0.74SS**  trans-99-174.1151.4-40.70000109.1
1247P40.2Very low31.2Very low108 Ų108127 Ų12770%0.70175%0.75SS**  cis-136.8-178.6-5.141.3-23.2000116
1248M25.3Very low31.6Very low159 Ų159122.2 Ų122.278%0.78374%0.742SS**  trans72.2140.4166.8-52.8-162.777.600115.4V1250M1248-V1250 HydrophobicContact CE-CG2 4.19Å
1249S28.7Very low32.1Very low118 Ų118123.1 Ų123.183%0.82575%0.748SS**  cis-137.7-179.844.3-62.60000115.5
1250V30.6Very low32.4Very low125 Ų125124.2 Ų124.276%0.75875%0.75SS**  trans-111.7-176.7-167.7-116.10000111.6M1248M1248-V1250 HydrophobicContact CE-CG2 4.19Å
1251P41.1Very low32.4Very low116 Ų116122.1 Ų122.175%0.75375%0.746SS**  trans-115.1-169.1-141.245.7-34.4000114.3
1252M26.8Very low32.5Very low158 Ų158123.7 Ų123.778%0.77875%0.751SS**  trans-163.1176.9145-99.4-100.977.100112
1253Q31.2Very low32.7Very low168 Ų168122 Ų12279%0.78575%0.746SS**  trans-105.6-156.3-172.5-57.2153.1-47.300109.1
1254S29.2Very low32.9Very low93 Ų93123.2 Ų123.265%0.6575%0.75SS**  cis-173.5157.110.835.20000110.9
1255S39.7Very low33.2Very low81 Ų81121.8 Ų121.857%0.56675%0.748SS**  trans29.5147.3144.366.70000123.9
1256P47.9Very low33Very low122 Ų122120.3 Ų120.379%0.79274%0.738SS**  trans-129.1174.4149.539.4-27.5000114.5
1257F35.6Very low32.8Very low186 Ų186124.9 Ų124.982%0.81674%0.74SS**  cis179.8168.9-43.8-96.7-37.9000107.9
1258A37.5Very low32.2Very low77 Ų77126.3 Ų126.364%0.63674%0.741SS**  cis-108-136.5-2.500000109.6
1259S34.6Very low32.1Very low109 Ų109125.6 Ų125.676%0.76274%0.74SS**  cis-156.8154.85.8-48.30000106.9
1260T33.9Very low32.2Very low135 Ų135125.6 Ų125.683%0.82874%0.735SS**  cis-171.6148-11.120.30000104.4
1261A30.3Very low32Very low86 Ų86125.3 Ų125.371%0.71174%0.739SS**  cis-149.2-163.12.800000106.5
1262V31.1Very low31.5Very low134 Ų134125.1 Ų125.181%0.81274%0.737SS**  cis-144.4156.915.2-161.70000110.3
1263T32Very low31.3Very low115 Ų115126.1 Ų126.171%0.70674%0.74SS**  trans-68.3162.6168.5410000112.8
1264T30Very low31.2Very low122 Ų122123.3 Ų123.375%0.74874%0.739SS**  cis-167166.811.910000113.3
1265V32.2Very low31.5Very low118 Ų118130.7 Ų130.772%0.71575%0.752SS**  trans70.2103.3145.6172.40000121.4
1266S26.2Very low30.9Very low84 Ų84132.3 Ų132.359%0.58776%0.764SS**  40.3144.8116.8-350000126.3
1267Y25.9Very low30.2Very low209 Ų209135.4 Ų135.482%0.8277%0.767SS**  trans86124.1147.7-58.2-54.7000122.7
1268N25.7Very low29.9Very low137 Ų137131.7 Ų131.773%0.73377%0.765SS**  trans72123.7144.6-69.9-5.1000122.5
1269L23.8Very low29.6Very low145 Ų145132.6 Ų132.676%0.75977%0.767SS**  trans47.5113.2153-7686.4000118.8
1270T31.9Very low29.3Very low117 Ų117134.6 Ų134.672%0.71877%0.767SS**  trans23.9104.1135.754.30000116.4P1272T1270-P1272 WeakPolarHBondContact O-CD 3.43Å
1271S24.8Very low29.2Very low120 Ų120136.3 Ų136.384%0.83977%0.766SS**  trans-59.8123.1159-175.80000108.7
1272P30.2Very low29.2Very low111 Ų111137.1 Ų137.172%0.72177%0.766SS**  trans-71.5-165.6161.2-9.629.3000109.1T1270T1270-P1272 WeakPolarHBondContact O-CD 3.43Å
1273H24.4Very low29.9Very low180 Ų180136 Ų13683%0.83376%0.761SS**SBendtrans-58147.5175.9-80.8-80.7000114.8
1274S28.7Very low29.8Very low108 Ų108138.1 Ų138.176%0.75576%0.763SS**  trans70.6128.7144.353.80000120.7
1275R34.8Very low29.8Very low248 Ų248140.2 Ų140.294%0.93676%0.764SS**  trans-44.1152.5154.6-68.7170.7163177.2-7.5112
1276S28.1Very low29.8Very low116 Ų116139.5 Ų139.581%0.81177%0.765SS**  trans-133.3138.5158.6590000111.7
1277Q31.6Very low30.4Very low186 Ų186140.3 Ų140.387%0.86977%0.768SS**  trans-161.7144.3133.7-105.2177.812.600108.3
1278S31Very low30.7Very low108 Ų108138.4 Ų138.476%0.75576%0.764SS**  trans51.884.5168.850.60000119.9
1279S29.6Very low30.9Very low97 Ų97140.3 Ų140.368%0.67877%0.766SS**  62.9120.3113.262.50000124.3
1280I30.1Very low31Very low150 Ų150141.2 Ų141.277%0.76977%0.766SS**  trans86.2134.8131.4-64.6169.3000120.3
1281Q30.4Very low31.5Very low172 Ų172140.8 Ų140.880%0.80477%0.766SS**  trans72.1100.4164.9-78.6165.512.400121.9
1282S31Very low32.1Very low102 Ų102140.9 Ų140.971%0.71376%0.764SS**  12.8158.2122.955.10000122.7
1283P44.6Very low31.9Very low110 Ų110142 Ų14271%0.71477%0.772SS**  cis-145.9-169.5-24.440.7-20.5000116.2
1284Q30.6Very low32.4Very low160 Ų160138.6 Ų138.675%0.74877%0.766SS**  trans80.7122.1154.6-73.2-177-4.900122.8
1285Q29.5Very low32.4Very low166 Ų166139 Ų13978%0.77677%0.769SS**  61.3144.5129.2-64.1-178.520.500121.2
1286S32.4Very low31.9Very low104 Ų104131.9 Ų131.973%0.72776%0.758SS**  cis-159.1-155-1060.60000110.9
1287P40Very low31.8Very low100 Ų100136.4 Ų136.465%0.64976%0.758SS**  -125.7-179.5-129.130.9-6000117.3
1288F31.5Very low31.5Very low170 Ų170135.2 Ų135.275%0.74675%0.753SS**  163.5124.6120.4-98.6-89.3000113.8
1289F29.3Very low31.2Very low176 Ų176136.5 Ų136.577%0.77275%0.751SS**  trans33150.4141.9-71.8-116.1000123.1
1290H26.8Very low31Very low164 Ų164136.4 Ų136.476%0.75975%0.751SS**  cis-170.1152.5-31.6-122-72.9000108.5
1291P42.8Very low30.7Very low109 Ų109136.7 Ų136.771%0.70875%0.748SS**  trans-116-176.4-170.142.7-32.9000114.8
1292P37.3Very low30.7Very low122 Ų122136.2 Ų136.279%0.79275%0.746SS**  trans-120.612716936.4-23.2000115.3
1293C25.1Very low30.7Very low134 Ų134137.6 Ų137.691%0.90575%0.75SS**  trans-157.4159.6152.8-101.20000111.1
1294P36.3Very low29.7Very low109 Ų109137.7 Ų137.771%0.70875%0.749SS**  trans-124.6160.5-149.140.4-27.9000117.7
1295S26.8Very low29.6Very low115 Ų115137.9 Ų137.980%0.80475%0.75SS**  trans61.8136.1160.748.60000118.2
1296S25.3Very low29.4Very low100 Ų100134.9 Ų134.970%0.69975%0.747SS**  cis-170.4-168.92.150.20000108.4
1297Y26.3Very low29.2Very low210 Ų210135.3 Ų135.382%0.82475%0.75SS**  cis-162.5156.811.5-141.4-63.5000109.9
1298Q24.7Very low28.6Very low162 Ų162140.9 Ų140.976%0.75776%0.764SS**  trans86147.8148.9-148.6168.6-5.300120.2
1299N25.3Very low28.4Very low134 Ų134136.8 Ų136.872%0.71776%0.762SS**  trans63.7108.4172.5-79.49.9000116.9
1300S24.2Very low28.3Very low96 Ų96139 Ų13967%0.67177%0.766SS**  81.8138.884.373.60000112.4
1301Q24.9Very low28.4Very low155 Ų155137.4 Ų137.472%0.72477%0.768SS**  cis-161.3177.123.4-144.5175.854.800109.1
1302Q29.4Very low28Very low163 Ų163137.3 Ų137.376%0.76277%0.77SS**  trans66.4164165.6-58.4167.616.800115.3
1303T30.9Very low27.5Very low130 Ų130136.9 Ų136.980%0.79877%0.77SS**  cis-145-176.8-7-6.30000111.8
1304V23.9Very low28.3Very low113 Ų113135.9 Ų135.969%0.68576%0.762SS**  trans-78.7171-167.1-155.10000115.5
1305H29.1Very low28.1Very low164 Ų164136 Ų13676%0.75977%0.765SS**  trans99.496.2152.4-64.4-60.8000122.5
1306S25Very low28.3Very low102 Ų102138.5 Ų138.571%0.71377%0.767SS**  37.5106115.3-50.20000123.2
1307S28.1Very low29.2Very low114 Ų114139.3 Ų139.380%0.79777%0.77SS**  51.1104.2115.7-500000122.5
1308K28Very low29.6Very low216 Ų216141.2 Ų141.294%0.93978%0.776SS**  trans176.2152.3140.2-100.5167.1-176-179.50108.4
1309A27.6Very low29.9Very low85 Ų85139 Ų13970%0.70278%0.778SS**  cis-156.4-175.7-6.300000111
1310Y26.3Very low31Very low222 Ų222138.4 Ų138.487%0.87178%0.782SS**  trans-33.5161.5163-63.9-103.1000115.7
1311V30Very low31.5Very low131 Ų131139.1 Ų139.179%0.79479%0.787SS**  cis-149.5-179.532.9-132.10000108.7
1312S34.4Very low32Very low106 Ų106139.5 Ų139.574%0.74179%0.792SS**  cis-154.5170.712.9-94.60000112.1
1313S25.5Very low32.2Very low113 Ų113136.9 Ų136.979%0.7979%0.792SS**  trans-107.1-171.2162.5-44.20000109.8
1314P41.4Very low32.3Very low114 Ų114135.1 Ų135.174%0.7479%0.791SS**  cis-133.9-176.7-13.142.5-27000114
1315S33.6Very low32.7Very low111 Ų111137.9 Ų137.978%0.77680%0.798SS**  169.7132.7127.4-76.70000112.2
1316I29.9Very low33.6Very low167 Ų167134.9 Ų134.986%0.85679%0.793SS**  trans-147.7121-174.1-54.8172.4000111.5
1317P44.2Very low33.9Very low117 Ų117135.9 Ų135.976%0.7680%0.795SS**  trans-148.3111.1157.335-15.4000116.2
1318R36.1Very low34.2Very low251 Ų251135 Ų13595%0.94779%0.789SS**  -178.6119.9115.9-97.9179-172.4-133.7-1.2113.7
1319S29.2Very low34.4Very low114 Ų114130.4 Ų130.480%0.79778%0.779SS**  trans-98.2-176.6167-37.30000109.5
1320P50.3Low34.5Very low122 Ų122131.7 Ų131.779%0.79278%0.781SS**  cis-112.6-171.345.35.419.9000112
1321S34.5Very low34.6Very low111 Ų111127.6 Ų127.678%0.77678%0.779SS**  cis-168.2-174.8-24.3-91.10000105.9
1322I34.9Very low34.7Very low163 Ų163129.5 Ų129.584%0.83678%0.78SS**  cis-134.5162.314.4-64.2170.2000109.1
1323S32.4Very low34.5Very low108 Ų108130.5 Ų130.576%0.75578%0.777SS**  trans-70.8177.6177.9-43.20000113.7
1324A34.4Very low34.6Very low94 Ų94131.7 Ų131.778%0.77777%0.773SS**  cis-162.3-169.720.600000110.3
1325M32.5Very low34.4Very low171 Ų171132.2 Ų132.284%0.84278%0.777SS**  -151.7167-68.2-101-100.5137.600109.3
1326P47.1Very low34.2Very low101 Ų101135.8 Ų135.866%0.65678%0.781SS**  trans-92.7-154.2-177.330.3-15.1000112.1
1327V32.5Very low34.4Very low123 Ų123133.1 Ų133.175%0.74578%0.777SS**  cis-163.3164.239.8-141.50000110
1328S32.7Very low33.7Very low96 Ų96134.6 Ų134.667%0.67179%0.785SS**  139160.192.6-118.70000109.5
1329T33.6Very low33.3Very low119 Ų119125.6 Ų125.673%0.7377%0.77SS**  cis-160.6164.4-6.1-4.90000112.2
1330C29.2Very low33.4Very low112 Ų112126.7 Ų126.776%0.75777%0.772SS**  trans56.8141.9154-65.10000122.3
1331V29.3Very low32.7Very low136 Ų136128.4 Ų128.482%0.82477%0.769SS**  cis122.5119.3-8172.30000115.4
1332Q31Very low32.5Very low171 Ų171130 Ų13080%0.79977%0.769SS**  trans175.4160.2147.9-104-159.194.600109.4
1333N30.2Very low32.2Very low127 Ų127130.8 Ų130.868%0.67977%0.769SS**  cis-153.5-149.1-19.9-154.4-22.3000110.1
1334L28Very low32.6Very low138 Ų138131.2 Ų131.272%0.72377%0.769SS**  trans-150.5-168.1-171.2-127.471.1000109.2
1335P38.1Very low32.3Very low125 Ų125131.2 Ų131.281%0.81277%0.769SS**  cis-141.9-138.727.743.1-18.9000116.5
1336Q27.7Very low32.3Very low185 Ų185130 Ų13086%0.86477%0.771SS**  trans-123.5-163.6-158.7-64.3-178.1-26.500115.9
1337S35Very low31.3Very low112 Ų112130.9 Ų130.978%0.78378%0.775SS**  trans-122.9169-149.958.30000118.7
1338T29.4Very low31Very low148 Ų148132 Ų13291%0.90878%0.775SS**  trans-142.9173161.251.70000109.4
1339G28.3Very low30.6Very low62 Ų62135.2 Ų135.264%0.63978%0.78SS**  cis171.9167-6.600000112.3
1340T31Very low30.2Very low137 Ų137134.5 Ų134.584%0.8478%0.78SS**  trans60.5151.5174.971.50000118.2
1341H34.7Very low30Very low157 Ų157137 Ų13773%0.72779%0.785SS**  cis-149.1147.36-130.4-58.3000113.4
1342N31.5Very low30Very low146 Ų146138.8 Ų138.878%0.78179%0.785SS**  trans71.6172.5154.2-74.49.6000124.1
1343Q28.6Very low29.8Very low179 Ų179138.1 Ų138.184%0.83679%0.786SS**  trans-164.3-176.7-148.4-110.4-167.92300108.9
1344P39.5Very low29.8Very low116 Ų116138.9 Ų138.975%0.75379%0.789SS**  cis-130.2-148.6-32.238.6-19000110.8
1345A29.4Very low29.8Very low94 Ų94138.7 Ų138.778%0.77779%0.788SS**  trans-131.4146.9178.900000114.2
1346V30.8Very low29.4Very low146 Ų146138.1 Ų138.189%0.88578%0.783SS**  trans-146.5149.9163.4-174.30000109.2
1347T26.6Very low29.4Very low120 Ų120137.3 Ų137.374%0.73678%0.779SS**  trans-93.6147.2179.348.10000114
1348L26Very low29.2Very low145 Ų145137.2 Ų137.276%0.75977%0.773SS**  173.1144.5123.9-95.2161.5000111.4
1349E24.7Very low29Very low165 Ų165136.9 Ų136.977%0.77177%0.766SS**  trans58.4148.6154.1-64.4171.4-171.900119
1350S24.9Very low28.9Very low103 Ų103141.7 Ų141.772%0.7278%0.775SS**  cis-168.4145.1-16.7-94.20000107.6
1351D25.9Very low29.3Very low164 Ų164140.5 Ų140.588%0.87777%0.773SS**  trans-131.7113174.2-99.7-48000114.1
1352Q28.8Very low28.9Very low175 Ų175144.4 Ų144.482%0.81878%0.781SS**  trans-128.7141143.9-63.8-175.5-0.900104.5
1353L27.9Very low28.8Very low156 Ų156143.1 Ų143.182%0.81778%0.778SS**  cis-128.4165.727.9-51.1112.7000109.7
1354I28.8Very low28.7Very low143 Ų143137.7 Ų137.773%0.73377%0.77SS**SBendcis-148.314238.6-71.4175.7000111.1
1355N28Very low28Very low134 Ų134143.5 Ų143.572%0.71778%0.779SS**  trans56.7106.2165.4-61.6-7.5000118.7
1356T30.7Very low27.9Very low114 Ų114143.1 Ų143.170%0.69978%0.776SS**  70.4110.864.769.20000114.1
1357H27.5Very low27.6Very low168 Ų168145.1 Ų145.178%0.77877%0.773SS**  65.5119.889.9-95.8-100.4000113.9
1358V29.7Very low27.5Very low110 Ų110147.1 Ų147.167%0.66777%0.774SS**  cis90.4132.337.2176.10000113.5
1359D25Very low28.1Very low140 Ų140144.8 Ų144.875%0.74977%0.77SS**  trans65.5137.4179.9-62.5-35.9000116.2
1360I27.7Very low28.3Very low164 Ų164144.1 Ų144.184%0.84177%0.767SS**  -149.2149.554.7-81.2170000111.9
1361S39.3Very low28.4Very low112 Ų112144.4 Ų144.478%0.78377%0.769SS**  trans-104.4127.9-175.4-670000115
1362R26.4Very low28.4Very low238 Ų238143.3 Ų143.390%0.89876%0.756SS**  trans-168.3141.3164.9-101.6-173-178.8-167.3-0.9108
1363T28.7Very low28.2Very low119 Ų119145.1 Ų145.173%0.7376%0.757SS**  cis-151140.81.5380000111.4
1364G26.9Very low28Very low65 Ų65142.5 Ų142.567%0.6775%0.752SS**  trans69.5160.4141.900000119.5
1365Y24.5Very low27.8Very low239 Ų239141 Ų14194%0.93775%0.754SS**  cis-148.8167.1-16.9-106.6-75.4000108.8
1366A27.5Very low27.7Very low85 Ų85139.6 Ų139.670%0.70275%0.754SS**  trans-93.7150.7-175.200000113.8
1367F24.8Very low27.4Very low188 Ų188139.1 Ų139.183%0.82576%0.755SS**  trans74.2140.6156.6-105.3-107.4000120.9
1368Q23.3Very low27.7Very low162 Ų162137.2 Ų137.276%0.75776%0.755SS**  trans53.598.3160.1-80.9174.2-1.700120.2
1369S39.7Very low27.8Very low96 Ų96140.2 Ų140.267%0.67176%0.762SS**  20.2121.8117.561.90000118.8
1370Q27.7Very low28.5Very low152 Ų152139.1 Ų139.171%0.7176%0.762SS**  -167.5165.2120.1-113.5174.985.200113.6K1372Q1370-K1372 VanDerWaalsContact OE1-CE 3.25Å
1371S27.8Very low28.6Very low109 Ų109136.8 Ų136.876%0.76276%0.756SS**  trans99.4137.916080.80000118.5
1372K25.8Very low28.7Very low141 Ų141138 Ų13861%0.61376%0.758SS**  cis-170.5163.1-39.8-113.9155-166.8170.60108.4Q1370Q1370-K1372 VanDerWaalsContact OE1-CE 3.25Å
1373Y24.3Very low28.6Very low212 Ų212131.6 Ų131.683%0.83175%0.751SS**  trans66.7128.8-177-48.9-81.5000113.4
1374S24.7Very low28.5Very low102 Ų102135.6 Ų135.671%0.71376%0.758SS**  cis88.877.620.789.90000116.8
1375S24.1Very low28.3Very low110 Ų110136.5 Ų136.577%0.76975%0.754SS**  trans-175.3145.4138.350.70000112.9
1376S24.6Very low28.6Very low105 Ų105132 Ų13273%0.73475%0.752SS**  trans46.1116.9147.759.70000122.5
1377C25.6Very low28.4Very low104 Ų104134.6 Ų134.670%0.70375%0.749SS**  60.4109.5128.1-155.80000121.7
1378T33.9Very low28.4Very low129 Ų129134.6 Ų134.679%0.79175%0.752SS**  178.891.1116.137.50000107.5
1379Q32.2Very low29.1Very low172 Ų172134.5 Ų134.580%0.80475%0.752SS**  61.8135.4101.5-71-1621400115.6
1380P38.9Very low29.1Very low117 Ų117135.8 Ų135.876%0.7675%0.75SS**  cis-89.3-160.2-736.9-31.1000111.3
1381T30.2Very low29.1Very low116 Ų116137 Ų13771%0.71276%0.756SS**  cis-149.21783.2-25.30000110.9
1382T40.9Very low29Very low136 Ų136141.5 Ų141.583%0.83476%0.756SS**  trans-4.6124161.447.20000120.4
1383S25.2Very low29.1Very low105 Ų105142.5 Ų142.573%0.73476%0.763SS**  trans-108.5-172.8168.160.60000112.6
1384F25.2Very low29.2Very low203 Ų203140 Ų14089%0.8976%0.758SS**  trans-12.3137.7144.6-75-104000115.8
1385S23.6Very low29.3Very low83 Ų83140.6 Ų140.658%0.5875%0.752SS**  -169.3145.597.1-163.30000113.9Q1387S1385-Q1387 PolarHBondContact O-N 2.9Å
1386T30.6Very low29.7Very low146 Ų146144.7 Ų144.790%0.89676%0.759SS**  trans-78.589.9157.6-57.50000108.6
1387Q23.6Very low30Very low138 Ų138148.1 Ų148.165%0.64576%0.764SS**  trans-145.9137.1171.7-86-174.2-49.100106.8S1385S1385-Q1387 PolarHBondContact O-N 2.9Å
1388Q25.8Very low30.8Very low188 Ų188154.6 Ų154.688%0.87977%0.773SS**  cis44.460.421.3-79.9-163.8-6.500112.8
1389Q37.2Very low31.6Very low161 Ų161153.7 Ų153.775%0.75277%0.77SS**  trans55.6121.2132.1-146.5174.220.800117.7
1390L39.2Very low31.3Very low123 Ų123155 Ų15564%0.64478%0.776SS**  162.6105.1121-84.7158000112.1
1391Q28.6Very low30.9Very low178 Ų178155.2 Ų155.283%0.83278%0.775SS**SBend-74.9113.2117.3-76-174.9-1000104.9
1392R25.5Very low30.7Very low203 Ų203154.7 Ų154.777%0.76678%0.776SS**SBend60.8113.591.5-69.3178.3173.7-176.2-3.4110.4
1393H27.9Very low30Very low162 Ų162155.7 Ų155.775%0.7578%0.776SS**  cis-109.9157.98.5-78.9-122000110.9
1394H26.1Very low30Very low159 Ų159156.8 Ų156.874%0.73677%0.773SS**  cis80.5130.223.3-146.5-21.9000114.9
1395I27.5Very low30.2Very low114 Ų114153 Ų15359%0.58576%0.762SS**  trans73.786.9168.6-43.5-174.1000116.2E1397I1395-E1397 WeakPolarHBondContact O-CG 3.5Å; I1395-E1397 PolarHBondContact O-N 3.12Å
1396Q32Very low30.6Very low196 Ų196154.4 Ų154.492%0.91676%0.763SS**  -9.287.6122-174.3178.925.600115.7
1397E30.6Very low30.4Very low178 Ų178158.8 Ų158.883%0.83276%0.763SS**  trans-80.9161.1-175.2-64.8-155.2153.100115.6I1395I1395-E1397 WeakPolarHBondContact O-CG 3.5Å; I1395-E1397 PolarHBondContact O-N 3.12Å
1398R42.9Very low30.8Very low240 Ų240156.7 Ų156.791%0.90677%0.77SS**  trans-163.7145.3175.4-147.4-173.3-165.2-145.54.8109.7
1399P50.1Low31.2Very low109 Ų109152.7 Ų152.771%0.70876%0.76SS**SBend-124.4166.9-50.638.7-26.2000112.2
1400Q26.5Very low30.6Very low200 Ų200151.1 Ų151.194%0.93576%0.757SS**  trans48.966.9168.5-87.9-162.3-2200117.9
1401T29.9Very low30.1Very low122 Ų122154.9 Ų154.975%0.74876%0.764SS**  trans-141.1116.714743.40000106.9
1402S25.1Very low29.9Very low104 Ų104152.3 Ų152.373%0.72776%0.76SS**  65.368.369.480.60000114.4
1403L27.1Very low29.7Very low158 Ų158148.5 Ų148.583%0.82776%0.759SS**  -173.8134.5117.9-99.5162.9000112
1404N26.1Very low29.8Very low127 Ų127145.6 Ų145.668%0.67976%0.757SS**  trans59.7126.5163.5-81.91.8000120.4
1405N28.7Very low29.9Very low123 Ų123145.8 Ų145.866%0.65876%0.758SS**  38.7125.7105.1-49.4-0.1000116
1406N31.5Very low29.8Very low113 Ų113148 Ų14860%0.60477%0.766SS**  cis-157.416318.4-104.2-8.6000108.6
1407W27Very low29.7Very low238 Ų238142.8 Ų142.890%0.90275%0.751SS**  46.8142.172.5-48.2-8.1000113
1408A32.3Very low29.6Very low94 Ų94140.9 Ų140.978%0.77775%0.745SS**  cis-141.9164.75.700000111.3
1409P33.4Very low28.8Very low104 Ų104137.4 Ų137.468%0.67574%0.739SS**  trans-124.9-141.6-161.631.6-7.4000111.3
1410N25.1Very low28.1Very low128 Ų128134.6 Ų134.668%0.68472%0.722SS**  trans75.5143.4163.8-54-18.3000115.1
1411Y28Very low28.9Very low203 Ų203134 Ų13480%0.79672%0.719SS**  cis66.756.66.5-119.8-59.3000115.2K440K440-Y1411 PolarHBondContact NZ-OH 2.78Å
1412V24Very low29Very low123 Ų123131.3 Ų131.375%0.74572%0.715SS**  trans-152.1138.1156.31320000111.3
1413V22.6Very low29.3Very low124 Ų124131.8 Ų131.875%0.75272%0.718SS**  trans-1.7145.5156.5-155.80000120
1414S30.1Very low29.5Very low100 Ų100130.5 Ų130.570%0.69972%0.717SS**  trans-54.9170.9161.6-50.40000114.7
1415Q27Very low29.7Very low164 Ų164129.5 Ų129.577%0.76672%0.72SS**  trans68.4155.6168.1-60179.1-6.800114.4
1416H26.2Very low30Very low161 Ų161126 Ų12675%0.74571%0.714SS**  cis-165.1163.5-14.5-106.4-26.8000107
1417S29.3Very low30.4Very low86 Ų86126.5 Ų126.560%0.60171%0.712SS**  cis-169.6-165.3-13.9-164.90000107.4
1418I28.4Very low30.6Very low138 Ų138120.1 Ų120.171%0.70870%0.703SS**  trans70.6138.9151.2-72.1162.7000116.8
1419Q27.5Very low30.5Very low167 Ų167122.4 Ų122.478%0.7871%0.708SS**  cis-154.8179.8-13.4-115.7166.78.200110.5
1420S33.7Very low30.7Very low49 Ų49121 Ų12134%0.34370%0.704SS.*  trans-95.4158.6-174.351.70000114.5H1427S1420-H1427 PolarHBondContact OG-CD2 3.25Å; S1420-H1427 PolarHBondContact OG-CE1 2.98Å; S1420-H1427 PolarHBondContact OG-ND1 2.82Å; S1420-H1427 PolarHBondContact OG-NE2 3.16Å; S1420-H1427 VanDerWaalsContact OG-NE2 3.08Å
1421H44.1Very low30.9Very low189 Ų189123.3 Ų123.388%0.87571%0.711SS**  trans-136151.8163.6-64.2-50.5000110.9
1422G32.6Very low30.8Very low65 Ų65124.5 Ų124.567%0.6771%0.714SS**SBendcis-106.3146.9-3.500000113.2
1423S30.1Very low31.6Very low113 Ų113123.9 Ų123.979%0.7971%0.712SS**SBendtrans51.499.3157.8-52.40000118.2
1424T32.6Very low31.8Very low131 Ų131125.3 Ų125.380%0.80472%0.715SS**SBendtrans57.6101.6161.754.90000118
1425S30.2Very low31.5Very low106 Ų106127.1 Ų127.174%0.74172%0.716SS**  trans56.2166.5165.371.60000117.3H1427S1425-H1427 VanDerWaalsContact CA-CE1 3.48Å; S1425-H1427 WeakPolarHBondContact CA-CE1 3.31Å
1426G34.4Very low31.5Very low51 Ų51124.9 Ų124.953%0.52671%0.713SS.*  cis-124.5140.6-31.200000108.7S1428G1426-S1428 PolarHBondContact O-OG 3.33Å
1427H39.7Very low31.6Very low123 Ų123124.3 Ų124.357%0.56972%0.716SS**  trans-113119.4-144.9-45.4-57.8000112.4S1420 S1425S1420-H1427 PolarHBondContact OG-CD2 3.25Å; S1420-H1427 PolarHBondContact OG-CE1 2.98Å; S1420-H1427 PolarHBondContact OG-ND1 2.82Å; S1420-H1427 PolarHBondContact OG-NE2 3.16Å; S1420-H1427 VanDerWaalsContact OG-NE2 3.08Å; S1425-H1427 VanDerWaalsContact CA-CE1 3.48Å; S1425-H1427 WeakPolarHBondContact CA-CE1 3.31Å
1428S32.2Very low31.5Very low103 Ų103127.5 Ų127.572%0.7273%0.726SS**  cis79.813724.1-52.50000115G1426G1426-S1428 PolarHBondContact O-OG 3.33Å
1429V30.2Very low32.2Very low143 Ų143125.5 Ų125.587%0.86772%0.722SS**  cis-157.4174.4-4.5117.30000110.4
1430A36.8Very low32.2Very low73 Ų73123.9 Ų123.960%0.60372%0.724SS**  trans-101.5177.1-175.900000116.1
1431H28.8Very low32.5Very low177 Ų177126.8 Ų126.882%0.81974%0.741SS**  trans72160.3178.3-57.7-75.1000115.5
1432R26Very low31.7Very low229 Ų229124.5 Ų124.586%0.86473%0.734SS**  cis-157.4174-14.8-120.2-173.4166.2-174.6-3.2108.3
1433P41.3Very low31.4Very low109 Ų109128 Ų12871%0.70874%0.738SS**  trans-100.6169.3-176.239-34.4000115.7
1434L25.9Very low31.4Very low155 Ų155127 Ų12781%0.81274%0.735SS**  trans124.7134.5151.8-71.2171.1000117.9
1435L25.5Very low31.2Very low138 Ų138129.1 Ų129.172%0.72374%0.741SS**  trans70.9115.3146.9-67.2165.4000123.3
1436T25.6Very low31.7Very low116 Ų116129.6 Ų129.671%0.71274%0.744SS**  trans78.6148135.255.10000123
1437N28.1Very low31.8Very low149 Ų149133.3 Ų133.380%0.79776%0.759SS**  trans79.891.2164.2-59.9-17.3000120.2
1438N28Very low31.7Very low153 Ų153136.4 Ų136.482%0.81877%0.771SS**  28.5157.2104.7-104.11.4000120.4
1439P42.3Very low32.3Very low96 Ų96136.3 Ų136.362%0.62377%0.768SS**  cis-147-164.24.435.7-10.7000117.2
1440V29Very low32.4Very low134 Ų134138.5 Ų138.581%0.81277%0.766SS**  trans78.8148152.5-700000123.2
1441P38.7Very low32Very low109 Ų109140.3 Ų140.371%0.70877%0.769SS**  trans-141.2-143.3-151.832.7-3.9000114
1442I27.6Very low32Very low141 Ų141140.7 Ų140.772%0.72377%0.771SS**  trans100.2127151.4-74.3161.1000120.3
1443D26.6Very low32.2Very low140 Ų140138 Ų13875%0.74977%0.768SS**  trans42.7114.9151-57.5-5.4000124.9
1444A31Very low32.2Very low90 Ų90138.1 Ų138.174%0.74477%0.769SS**  40.8151.2110.300000123.9
1445L27.6Very low32.1Very low176 Ų176136 Ų13692%0.92177%0.766SS**  trans89.2133.2164.8-57.1171.2000118.5
1446S39.8Very low32.4Very low116 Ų116135.4 Ų135.481%0.81177%0.768SS**  trans-91.6164.1176.8-32.90000110.5
1447P37.5Very low32.7Very low129 Ų129135.3 Ų135.384%0.83877%0.767SS**  -148.3-165.75540.1-17.2000116.8
1448K37.2Very low33.4Very low189 Ų189133 Ų13382%0.82276%0.76SS**  trans-79.4-166.4172.6-46.1178.4-178.8177.90110.3
1449P45.4Very low33.4Very low100 Ų100133.4 Ų133.465%0.64976%0.759SS**  cis-147.3-164.33.224.85.6000117
1450F30.9Very low32.8Very low190 Ų190135.2 Ų135.283%0.83376%0.763SS**  trans72.1156.7165.2-67.1-89.9000119.8
1451V28.3Very low32.9Very low110 Ų110135.1 Ų135.167%0.66776%0.763SS**  cis171.6138.6-45.8137.40000109.7
1452H30.3Very low32.5Very low185 Ų185136.9 Ų136.986%0.85677%0.766SS**  trans-174.7154.7131.2-112.2-80.9000114.8
1453Q30.5Very low33.4Very low174 Ų174134.7 Ų134.781%0.81376%0.762SS**  trans-94.2172.5177.7-115.4171.8-8.800111
1454P40.1Very low33.7Very low110 Ų110133 Ų13371%0.71476%0.76SS**  -153.8177.554.842.2-20.3000119.5
1455C24.8Very low33.8Very low111 Ų111139.6 Ų139.675%0.7577%0.768SS**  trans30.2144.6151-56.30000121.7
1456V31.8Very low34.7Very low125 Ų125135.8 Ų135.876%0.75875%0.753SS**  -162.6108.660158.50000107.5
1457T30.9Very low34.3Very low115 Ų115138.4 Ų138.471%0.70675%0.753SS**  55.3151.3100.159.80000118
1458P42.1Very low34Very low100 Ų100139.7 Ų139.765%0.64975%0.748SS**  cis-143.5-173.5-21.438.6-18.6000116.2
1459M28.3Very low33.8Very low161 Ų161137.6 Ų137.679%0.79374%0.744SS**  trans71.4148.6153.5-74.9150.2177.900118.7
1460D29.8Very low32.8Very low134 Ų134141.5 Ų141.572%0.71776%0.756SS**  cis-156.2157.84-125.4-22.1000115.2
1461V31.2Very low32.6Very low132 Ų132137.7 Ų137.780%0.875%0.753SS**  trans69.6141.9152.7179.20000123.8
1462D30.1Very low32.6Very low146 Ų146138.2 Ų138.278%0.78176%0.761SS**  trans-70.8-169.1174.8-119.9-32.8000115.1
1463P48.1Very low32.5Very low96 Ų96139.3 Ų139.362%0.62376%0.758SS**  cis-138.5-175.3-20.333.1-11.4000116.4
1464S32.3Very low32.4Very low103 Ų103138.5 Ų138.572%0.7275%0.752SS**  trans76.3149.5156.45.70000119.4
1465Y33Very low31.7Very low230 Ų230142 Ų14290%0.90276%0.759SS**  cis-155.9163.6-11.2-144.3-120.2000110.2
1466P45.8Very low31.8Very low95 Ų95140.1 Ų140.162%0.61776%0.757SS**  trans-122.6170-160.342.7-32.4000117.7
1467Q32.8Very low31.7Very low172 Ų172142.6 Ų142.680%0.80476%0.761SS**  trans178.9120.3136-98.2168.9-0.900110.8
1468Q31.1Very low31.6Very low156 Ų156143.6 Ų143.673%0.72976%0.762SS**  80.6105.279.5-73.2-166.6-33.500115
1469I31.3Very low31Very low145 Ų145146.4 Ų146.474%0.74477%0.766SS**  86.4110.584.6-78.4173.6000112
1470M25.2Very low31.1Very low182 Ų182146.2 Ų146.290%0.89776%0.763SS**  81157.870.7-94.2-167.617600115.6
1471S26.2Very low31Very low110 Ų110146.7 Ų146.777%0.76977%0.766SS**  trans-141.5154.8-162.2-60.40000115.6
1472S29.5Very low30.9Very low120 Ų120145.3 Ų145.384%0.83975%0.754SS**  trans72.6149.4162.377.30000118.4
1473R27.5Very low30.7Very low209 Ų209150 Ų15079%0.78976%0.763SS**  cis-172152.9-23.2-174.5179.6-156179.37109.6
1474F28.5Very low29.9Very low157 Ų157151.3 Ų151.369%0.68976%0.763SS**  trans127.7113.4148.3-78.5-79.2000120.3
1475Q25.1Very low29.7Very low184 Ų184154.8 Ų154.886%0.8677%0.765SS**  trans70.6150.2136.8-81.1170.5-23.800125.2
1476G27.6Very low29.5Very low70 Ų70150.5 Ų150.572%0.72276%0.758SS**  trans104.898.7-174.700000111.8
1477E29Very low28.6Very low177 Ų177154.2 Ų154.283%0.82776%0.764SS**  86.3120.757.4-72.4-157.9166.500116
1478N30Very low28.2Very low137 Ų137155 Ų15573%0.73377%0.768SS**  trans61.9153.8155.7-59.2-20.3000120
1479E28.4Very low28.1Very low158 Ų158153.4 Ų153.474%0.73877%0.774SS**  cis-163.1174.3-37.2-148.9-176-156.200108.2
1480H30.2Very low28.1Very low157 Ų157155.1 Ų155.173%0.72778%0.779SS**  trans69.9142.8-174.5-5764.7000113.9
1481N28.9Very low28.3Very low145 Ų145154.1 Ų154.178%0.77577%0.772SS**  cis-130.4163.823.7-145.5-18.9000114.4
1482N27.2Very low28.4Very low103 Ų103156.6 Ų156.655%0.55177%0.771SS**  trans-62.4146-170.5-64.1-91.9000115.2
1483Y27.1Very low28.4Very low245 Ų245156.3 Ų156.396%0.96177%0.769SS**  trans-136.5151.6130.6-109.7-80.9000110.4
1484I30.3Very low28.5Very low122 Ų122152.1 Ų152.163%0.62677%0.767SS**  trans-136.6148.7-145.9-120.2174.5000112.9
1485F29.9Very low28.6Very low177 Ų177150.3 Ų150.378%0.77677%0.769SS**  trans69.2105160.9-92-118.6000121.8
1486N27.9Very low28.8Very low139 Ų139149.4 Ų149.474%0.74376%0.764SS**  101.2163.2112.3-139.12.9000120.4
1487K26.5Very low28.9Very low174 Ų174154.5 Ų154.576%0.75777%0.769SS**  trans-117.9169.7-163.1-60.1174.2175.8172.50113.1
1488Q25.7Very low29.2Very low187 Ų187151.8 Ų151.887%0.87477%0.767SS**  trans63.3122.8153.2-74.6172.8-29.300119.2
1489S27.9Very low29.2Very low123 Ų123150.3 Ų150.386%0.8677%0.767SS**  trans-165.5161.113057.50000111.5
1490Q30.5Very low29.4Very low181 Ų181148.9 Ų148.985%0.84677%0.772SS**  trans-105.2141.9170.5-72.8177.4-27.500110.4
1491Q29.8Very low29.3Very low161 Ų161145.6 Ų145.675%0.75277%0.772SS**  trans40.9115144.4-70.2-174.4-20.100121.9
1492Q29.9Very low29.3Very low162 Ų162148.3 Ų148.376%0.75777%0.773SS**  93.1156.1119.8-74.1-177.54.100122.4
1493S29Very low29.5Very low114 Ų114148.7 Ų148.780%0.79778%0.783SS**  trans84.9129.8160.688.10000115.5
1494V29.9Very low29.7Very low122 Ų122144.8 Ų144.874%0.73977%0.774SS**  cis-150.6145.9-11.2-167.70000108.9
1495T29.9Very low29.9Very low118 Ų118143.9 Ų143.972%0.72477%0.774SS**  153145.9128.648.60000115.8
1496H30.3Very low30.2Very low166 Ų166142.7 Ų142.777%0.76977%0.773SS**  trans54.893.3162.5-61.1-61000122.3
1497H28Very low30.5Very low177 Ų177142.3 Ų142.382%0.81977%0.767SS**  -4.7163.3121.8-64.7-77.1000120.1
1498P35.7Very low30.6Very low119 Ų119136.9 Ų136.977%0.77376%0.76SS**  cis-134.6-169.7-8.433.2-11000114.8
1499S29.4Very low31.2Very low107 Ų107135.8 Ų135.875%0.74876%0.755SS**  trans-58.9159.3164.8-33.70000113
1500P32.9Very low31.5Very low128 Ų128136.7 Ų136.783%0.83175%0.75SS**  -145-171.877.541-24000115.1
1501A29.3Very low31.9Very low88 Ų88133.6 Ų133.673%0.72775%0.746SS**  trans-118146.317400000111.8
1502Y28.8Very low32Very low202 Ų202129 Ų12979%0.79274%0.742SS**  trans-154.5130168-111.2-103.3000104.8Q1504Y1502-Q1504 HydrophobicContact CD1-CG 3.89Å
1503S30.1Very low32Very low110 Ų110127.9 Ų127.977%0.76975%0.746SS**  cis68.193.322.6-60.80000115.3
1504Q32.9Very low32.1Very low164 Ų164130.2 Ų130.277%0.76675%0.749SS**  trans-153.3139.5174.6-85.7-148-13.900110.1Y1502Y1502-Q1504 HydrophobicContact CD1-CG 3.89Å
1505V33.1Very low32.2Very low103 Ų103132.2 Ų132.262%0.62475%0.754SS**  cis-145.2172.9-17.1-120.50000105.9
1506I36.2Very low32.7Very low151 Ų151132.2 Ų132.277%0.77476%0.757SS**SBendcis-145.7160.822.9-61.8-77.5000104.9
1507E34.5Very low33Very low132 Ų132130.1 Ų130.162%0.61776%0.758SS**  cis-165164.1-40.8-96.3-119-14100104.6H1509E1507-H1509 IonicContact OE1-CE1 2.76Å; E1507-H1509 IonicContact OE1-ND1 3.67Å; E1507-H1509 IonicContact OE2-CE1 2.66Å; E1507-H1509 PolarHBondContact OE2-CE1 3.41Å; E1507-H1509 VanDerWaalsContact OE2-CE1 3.3Å; E1507-H1509 IonicContact OE2-CG 3.69Å; E1507-H1509 IonicContact OE2-ND1 3.3Å; E1507-H1509 PolarHBondContact OE2-ND1 3.08Å
1508G29.6Very low33.1Very low59 Ų59125.8 Ų125.861%0.60875%0.747SS**  cis139174.6-2.300000112.5
1509H36.7Very low32.8Very low164 Ų164128.9 Ų128.976%0.75975%0.751SS**  trans58.1162.7-174-64.176.9000117.6E1507E1507-H1509 IonicContact OE1-CE1 2.76Å; E1507-H1509 IonicContact OE1-ND1 3.67Å; E1507-H1509 IonicContact OE2-CE1 2.66Å; E1507-H1509 PolarHBondContact OE2-CE1 3.41Å; E1507-H1509 VanDerWaalsContact OE2-CE1 3.3Å; E1507-H1509 IonicContact OE2-CG 3.69Å; E1507-H1509 IonicContact OE2-ND1 3.3Å; E1507-H1509 PolarHBondContact OE2-ND1 3.08Å
1510N34.8Very low32.9Very low143 Ų143129.6 Ų129.677%0.76575%0.751SS**  -151.7-168.3-63.8-144.2-2.5000108.1
1511P40.3Very low32.8Very low115 Ų115128.6 Ų128.675%0.74775%0.748SS**  -125.7173.8-120.342.4-25.4000117.1
1512G30.9Very low32.8Very low65 Ų65130 Ų13067%0.6775%0.752SS**  trans136.2120.5137.200000120.2
1513T30.3Very low32.8Very low138 Ų138123.7 Ų123.785%0.84775%0.749SS**  trans76.8153.4146.5-35.60000119.2
1514L31.3Very low32.8Very low164 Ų164124.4 Ų124.486%0.85975%0.749SS**  trans92.7137.4169.9-56.9176.2000119.6
1515L30.8Very low32.7Very low163 Ų163123.5 Ų123.585%0.85375%0.747SS**  trans-114.2163.5153.9-65.8148.7000105.7
1516P40.8Very low32.5Very low119 Ų119123.5 Ų123.577%0.77375%0.752SS**  cis-114-140.2-22.742.5-25.2000107.7
1517P37.2Very low32.3Very low121 Ų121123.5 Ų123.579%0.78675%0.753SS**  cis-125.7-98.8-18.933.8-11.3000113.7
1518S29.5Very low32.1Very low86 Ų86120.9 Ų120.960%0.60175%0.75SS**  trans-166.2141.6-162.159.30000114.2
1519Q30.3Very low32.2Very low184 Ų184124.5 Ų124.586%0.8676%0.755SS**  trans62.8174.4165.7-49.8170.89.900114.4
1520T31Very low31.6Very low122 Ų122127.9 Ų127.975%0.74876%0.761SS**  cis-153.817116.150.50000110.9
1521S30.7Very low31.2Very low108 Ų108132.5 Ų132.576%0.75577%0.768SS**  trans-170.4138.7130.557.20000109.1
1522S29.9Very low30.4Very low117 Ų117135.3 Ų135.382%0.81877%0.771SS**  -157.2143.156.6-60.70000113.2
1523G28.3Very low30.4Very low70 Ų70138.2 Ų138.272%0.72278%0.778SS**  trans82.4140.6166.400000116.7
1524T29.6Very low30.1Very low125 Ų125134.5 Ų134.577%0.76777%0.767SS**  cis-154.8105-3.5-55.90000112.3
1525I30.4Very low30Very low145 Ų145133.3 Ų133.374%0.74477%0.767SS**  trans58.2115.6136.2-55.7174.3000120.6
1526S30.6Very low29.7Very low102 Ų102130 Ų13071%0.71376%0.763SS**  trans76.3160.6144.887.40000119.8
1527N31Very low30Very low151 Ų151130.1 Ų130.181%0.80776%0.764SS**  cis-151.7179.1-8.1-135.8-14.4000115.3
1528S30.6Very low30Very low78 Ų78130.4 Ų130.455%0.54577%0.766SS.*  trans-68175.4-178.455.90000118.9
1529N31.4Very low29.7Very low134 Ų134129.4 Ų129.472%0.71777%0.769SS**  trans91.3119.5161.4-54.8-36.3000116.9
1530W24.5Very low29.6Very low236 Ų236126 Ų12689%0.89477%0.766SS**  cis97.680.945-86.9112.4000113.7
1531R25.2Very low29.4Very low240 Ų240126.6 Ų126.691%0.90677%0.769SS**  trans-164.6140.9139.8-116.5177.2-163.9-95.51.7114
1532Q24.6Very low29.1Very low174 Ų174128.4 Ų128.481%0.81377%0.767SS**  trans-75.7167.4149.9-83.6-1720.300109.5
1533P29.8Very low29Very low126 Ų126132.6 Ų132.682%0.81877%0.767SS**  cis-139.8-173.323.243.7-25.5000116.4
1534G25.8Very low29.4Very low59 Ų59134 Ų13461%0.60876%0.763SS**  trans121.3121.6163.500000112.5
1535T28.2Very low29.2Very low139 Ų139133.5 Ų133.585%0.85377%0.765SS**  56.7100.466.368.30000111.7
1536A24.4Very low29.1Very low94 Ų94129.5 Ų129.578%0.77776%0.759SS**  87.6150.575.600000112.3
1537P47.9Very low29.1Very low122 Ų122130.5 Ų130.579%0.79277%0.766SS**  trans-92.7-170.7-16844.3-40.2000110.9
1538P35.6Very low28.9Very low127 Ų127128 Ų12883%0.82576%0.761SS**  -152.5-170.472.541-19.8000115.3
1539G25.1Very low28.9Very low65 Ų65130.3 Ų130.367%0.6777%0.771SS**  trans98.2113.5166.500000113.7
1540S26.7Very low28.7Very low113 Ų113128.9 Ų128.979%0.7977%0.772SS**  cis76.2146.622.2-43.30000115.9
1541T26.6Very low28.9Very low133 Ų133122.3 Ų122.382%0.81676%0.762SS**  trans83134.3167.2-30.30000115.2
1542M24.5Very low29Very low146 Ų146117.3 Ų117.372%0.71976%0.758SS**  cis-178.5135.4-34.5-110.2-179.569.800107.2
1543Y28.3Very low29.2Very low205 Ų205118.2 Ų118.280%0.80476%0.762SS**  trans59.9-178.8150.2-80.5-106.1000117.7
1544P36.2Very low29.5Very low100 Ų100117.8 Ų117.865%0.64976%0.759SS**  cis-122.2176.4-13.433.4-15.7000114.7
1545S26.4Very low29.6Very low115 Ų115122 Ų12280%0.80477%0.768SS**  trans48.1136.8144.359.10000121.7
1546G28.2Very low29.8Very low60 Ų60121.2 Ų121.262%0.61976%0.763SS**  cis157.3-175.91.600000112.1
1547S30.8Very low30Very low123 Ų123121 Ų12186%0.8676%0.756SS**  trans60.8154.9176.334.70000117.8
1548S26.5Very low29.2Very low99 Ų99122.5 Ų122.569%0.69276%0.756SS**  cis176.5151.5-4446.50000109.9
1549V29.5Very low29Very low127 Ų127121.9 Ų121.977%0.7775%0.75SS**  trans71.9134.2164.1-147.70000118.1
1550S27.9Very low29.2Very low104 Ų104129.7 Ų129.773%0.72776%0.759SS**  trans59.2147.4152.446.90000121.1
1551S28.2Very low29.4Very low98 Ų98129.5 Ų129.569%0.68576%0.758SS**  cis-170.4142-17.447.50000111.1
1552T28.1Very low29.6Very low134 Ų134126.8 Ų126.882%0.82276%0.756SS**  trans34.9112.8151.754.10000120.8
1553Q28.1Very low29.9Very low194 Ų194124.9 Ų124.991%0.90776%0.757SS**  trans-143.8153144.3-82.2-160.9-18.700111.5
1554P36.5Very low30.1Very low117 Ų117123.2 Ų123.276%0.7676%0.758SS**  trans-103.2159.5177.138.6-33.2000114.6
1555N29.2Very low29.9Very low147 Ų147127 Ų12779%0.78677%0.767SS**  trans-1.1139.2152-66.2-3.7000118.8
1556T30.9Very low30.4Very low123 Ų123126.1 Ų126.176%0.75576%0.759SS**  cis-176.7164.24.720.70000107.6
1557S29.3Very low30.6Very low90 Ų90129.4 Ų129.463%0.62977%0.767SS**  cis-175.9-157.7-10.157.20000108.9
1558I30.6Very low30.5Very low153 Ų153128.9 Ų128.979%0.78576%0.764SS**  trans75.7146.8159.4-80167.2000117.3
1559V30.8Very low30.7Very low114 Ų114130.1 Ų130.169%0.69177%0.773SS**  cis-164154.2-35.782.90000111.1
1560R30.5Very low30.8Very low228 Ų228133.2 Ų133.286%0.8678%0.779SS**  trans65.3149.7168.8-73-178.1177.4-175.7-0.4117.4
1561S31.2Very low30.7Very low110 Ų110133.4 Ų133.477%0.76978%0.78SS**  cis-170.2140.6-20.350.50000114.5
1562G30Very low30.5Very low76 Ų76136.6 Ų136.678%0.78479%0.787SS**  trans123.4148.4166.200000113.7
1563S31.2Very low30.3Very low106 Ų106136.3 Ų136.374%0.74179%0.786SS**  cis-156.5171.4-0.4-167.70000111.2
1564M32.3Very low30.2Very low169 Ų169131.8 Ų131.883%0.83378%0.775SS**  trans75.3169.6172.5-64.2-70.197.900118.9
1565Q31.1Very low29.6Very low179 Ų179132.1 Ų132.184%0.83678%0.775SS**  trans-155.4175.8-145.7-102.1-171.4-27.400111
1566P37.4Very low29.4Very low98 Ų98130.7 Ų130.764%0.63677%0.772SS**  cis-136.8-158.7-26.235.5-13.9000112.3
1567T32Very low29.1Very low128 Ų128130.2 Ų130.279%0.78577%0.774SS**  trans85139.9170.274.50000118.8
1568S29.8Very low29.3Very low112 Ų112131.3 Ų131.378%0.78378%0.779SS**  cis-170.394.1-41.141.80000110.5
1569S31.4Very low29Very low126 Ų126131.6 Ų131.688%0.88178%0.782SS**  trans-151.7109.8161.544.10000110.8
1570Q29.6Very low28.8Very low192 Ų192134.3 Ų134.390%0.89779%0.791SS**  trans-96.3160179.6-72.4169.8-1800109.9
1571S27.6Very low28.6Very low108 Ų108126.8 Ų126.876%0.75578%0.784SS**  cis-164.6167.3-15.947.60000109.3
1572I24.2Very low28.3Very low164 Ų164128.2 Ų128.284%0.84179%0.788SS**  trans-93.5159.8174.8-69.2173.5000111
1573V23.8Very low28.2Very low129 Ų129128.9 Ų128.978%0.78279%0.786SS**  trans-44.9149.4174.11740000116.2
1574S24.7Very low28.1Very low98 Ų98128.6 Ų128.669%0.68578%0.78SS**  trans110.8138.8144.3-110.40000121.7
1575T24.9Very low28.1Very low124 Ų124126.2 Ų126.276%0.76178%0.776SS**  trans65.7140.6158.856.40000118.6
1576T24.8Very low28.4Very low118 Ų118121.9 Ų121.972%0.72477%0.765SS**  cis-161.3136.7-2.75.70000112.6
1577S25Very low29.2Very low113 Ų113122.4 Ų122.479%0.7977%0.771SS**  trans60.1166.3147.6-58.60000120.2
1578P32.4Very low31.3Very low113 Ų113119 Ų11973%0.73475%0.747SS**  cis-128.2167.6-4.642-27.8000116.3
1579N23.7Very low33.9Very low159 Ų159115.8 Ų115.885%0.8573%0.725SS**  trans72.9160.8147.2-123.7-16.3000122
1580I27.1Very low36.6Very low170 Ų170115 Ų11587%0.87272%0.717SS**  trans68.8132.6177-51.3172.4000115.6
1581G26.9Very low39.4Very low70 Ų70109.8 Ų109.872%0.72269%0.693SS**  trans142.158.5164.400000117.6A1583G1581-A1583 PolarHBondContact O-N 2.84Å
1582V24Very low42.6Very low141 Ų141107 Ų10786%0.85567%0.67SS**  trans-75.2117.8170.3176.20000110.3V1584V1582-V1584 HydrophobicContact CG1-CG2 4.18Å
1583A28.7Very low46Very low90 Ų90100.3 Ų100.374%0.74464%0.636SS**  trans-135.497.1167.300000107.9G1581G1581-A1583 PolarHBondContact O-N 2.84Å
1584V28.7Very low49.3Very low100 Ų100100.1 Ų100.161%0.60662%0.621SS**  54.3118.372.3-171.10000111.2V1582 C1586V1582-V1584 HydrophobicContact CG1-CG2 4.18Å; V1584-C1586 PolarHBondContact O-N 3.35Å
1585P31.5Very low52.7Low118 Ų11897.8 Ų97.877%0.76660%0.6SS**SBendtrans-61.8124.917427.2-33.6000108.9S1587P1585-S1587 PolarHBondContact O-N 2.88Å
1586C39.4Very low56.1Low89 Ų8991.9 Ų91.960%0.60156%0.564SS**  trans-56104.6-169.7-52.90000111.9V1584 I1588 R1625V1584-C1586 PolarHBondContact O-N 3.35Å; C1586-I1588 PolarHBondContact O-N 3.13Å; C1586-I1588 VanDerWaalsContact O-N 3.14Å; C1586-R1625 PolarHBondContact SG-NH1 3.39Å; C1586-R1625 VanDerWaalsContact SG-NH1 3.4Å
1587S52.8Low59.4Low108 Ų10890.2 Ų90.276%0.75555%0.548SS*.  trans-59.3114.4162.451.30000107.9P1585 S1589P1585-S1587 PolarHBondContact O-N 2.88Å; S1587-S1589 PolarHBondContact O-N 3.44Å
1588I76.2Confident62.7Low57 Ų5789.6 Ų89.629%0.29253%0.533SS..  trans-64.5125.2175.2-61.8174.1000106.9C1586 V1593 R1625 A1626 Y1629C1586-I1588 PolarHBondContact O-N 3.13Å; C1586-I1588 VanDerWaalsContact O-N 3.14Å; I1588-V1593 HydrophobicContact CG2-CG2 3.75Å; I1588-R1625 HydrophobicContact CD1-CB 4.42Å; I1588-A1626 HydrophobicContact CG2-CB 3.83Å; I1588-Y1629 HydrophobicContact CD1-CD2 4.12Å; I1588-Y1629 HydrophobicContact CD1-CG 3.99Å
1589S85.5Confident65.6Low45 Ų4585 Ų8532%0.31551%0.505SS..  trans-60.4132.1-176.5-179.90000110S1587 E1591 D1592 V1593S1587-S1589 PolarHBondContact O-N 3.44Å; S1589-E1591 PolarHBondContact O-N 2.77Å; S1589-E1591 VanDerWaalsContact O-N 3.16Å; S1589-E1591 PolarHBondContact OG-N 3.21Å; S1589-D1592 VanDerWaalsContact CB-OD2 3.24Å; S1589-D1592 WeakPolarHBondContact CB-OD2 3.41Å; S1589-D1592 PolarHBondContact O-N 3.44Å; S1589-V1593 PolarHBondContact O-N 3.39Å
1590P86.2Confident69Low110 Ų11080.8 Ų80.871%0.71448%0.477SS*.Hα-helixtrans-54.7-30.4169.9-26.135.5000112.2R1594P1590-R1594 WeakPolarHBondContact O-CB 3.2Å; P1590-R1594 PolarHBondContact O-N 3.14Å
1591E90.1Very high72.1Confident81 Ų8175.5 Ų75.538%0.37945%0.453SS..Hα-helixtrans-77.3-33.2176.8-16958.2-161.400112.5S1589 V1593 R1594 I1595S1589-E1591 PolarHBondContact O-N 2.77Å; S1589-E1591 VanDerWaalsContact O-N 3.16Å; S1589-E1591 PolarHBondContact OG-N 3.21Å; E1591-V1593 VanDerWaalsContact C-N 3.32Å; E1591-V1593 PolarHBondContact O-N 3.14Å; E1591-R1594 VanDerWaalsContact CD-NE 3.34Å; E1591-R1594 CarbonylContact O-C 3.57Å; E1591-R1594 PolarHBondContact O-N 3.46Å; E1591-R1594 IonicContact OE1-CZ 3.68Å; E1591-R1594 VanDerWaalsContact OE1-CZ 3.29Å; E1591-R1594 IonicContact OE1-NE 3.58Å; E1591-R1594 PolarHBondContact OE1-NE 2.97Å; E1591-R1594 VanDerWaalsContact OE1-NE 3.12Å; E1591-R1594 IonicContact OE1-NH2 3.41Å; E1591-R1594 PolarHBondContact OE1-NH2 2.71Å; E1591-R1594 WeakPolarHBondContact OE2-CD 3.42Å; E1591-R1594 IonicContact OE2-CZ 2.72Å; E1591-R1594 IonicContact OE2-NE 2.71Å; E1591-R1594 PolarHBondContact OE2-NE 2.91Å; E1591-R1594 IonicContact OE2-NH2 3.98Å; E1591-I1595 HydrophobicContact CG-CD1 4.04Å; E1591-I1595 HydrophobicContact CG-CG1 4.41Å; E1591-I1595 WeakPolarHBondContact O-CB 3.41Å; E1591-I1595 WeakPolarHBondContact O-CG1 3.17Å; E1591-I1595 PolarHBondContact O-N 3.17Å
1592D94.2Very high75.3Confident51 Ų5175.1 Ų75.127%0.27344%0.437SS..Hα-helixtrans-63.6-41.3170.7-66.3-29000110.6S1589 R1594 I1595 V1596 Y1623 A1626S1589-D1592 VanDerWaalsContact CB-OD2 3.24Å; S1589-D1592 WeakPolarHBondContact CB-OD2 3.41Å; S1589-D1592 PolarHBondContact O-N 3.44Å; D1592-R1594 VanDerWaalsContact C-N 3.35Å; D1592-I1595 PolarHBondContact O-N 2.81Å; D1592-V1596 WeakPolarHBondContact O-CB 3.39Å; D1592-V1596 VanDerWaalsContact O-CG2 3.3Å; D1592-V1596 WeakPolarHBondContact O-CG2 3.35Å; D1592-V1596 PolarHBondContact O-N 3.15Å; D1592-Y1623 HydrophobicContact CB-CD1 4.24Å; D1592-Y1623 HydrophobicContact CB-CE1 4.49Å; D1592-A1626 HydrophobicContact CB-CB 3.86Å
1593V94.8Very high78.6Confident22 Ų2269.3 Ų69.313%0.13340%0.401CS..Hα-helixtrans-60.1-46.9172.1174.60000109.9I1588 S1589 E1591 I1595 V1596 Q1597 A1626 Y1629 I1630I1588-V1593 HydrophobicContact CG2-CG2 3.75Å; S1589-V1593 PolarHBondContact O-N 3.39Å; E1591-V1593 VanDerWaalsContact C-N 3.32Å; E1591-V1593 PolarHBondContact O-N 3.14Å; V1593-I1595 PolarHBondContact O-N 3.02Å; V1593-V1596 PolarHBondContact O-N 3.12Å; V1593-Q1597 WeakPolarHBondContact O-CB 3.47Å; V1593-Q1597 PolarHBondContact O-N 2.64Å; V1593-A1626 HydrophobicContact CG2-CB 4.25Å; V1593-Y1629 HydrophobicContact CG2-CD1 3.78Å; V1593-Y1629 HydrophobicContact CG2-CE1 4.17Å; V1593-I1630 HydrophobicContact CG1-CD1 4.08Å; V1593-I1630 HydrophobicContact CG1-CG1 3.87Å
1594R94.5Very high81.3Confident125 Ų12573.1 Ų73.147%0.47240%0.396SS..Hα-helixtrans-62.8-42.9179.3-152.1-173.469.768.39.7112.2P1590 E1591 D1592 Q1597 Q1598P1590-R1594 WeakPolarHBondContact O-CB 3.2Å; P1590-R1594 PolarHBondContact O-N 3.14Å; E1591-R1594 VanDerWaalsContact CD-NE 3.34Å; E1591-R1594 CarbonylContact O-C 3.57Å; E1591-R1594 PolarHBondContact O-N 3.46Å; E1591-R1594 IonicContact OE1-CZ 3.68Å; E1591-R1594 VanDerWaalsContact OE1-CZ 3.29Å; E1591-R1594 IonicContact OE1-NE 3.58Å; E1591-R1594 PolarHBondContact OE1-NE 2.97Å; E1591-R1594 VanDerWaalsContact OE1-NE 3.12Å; E1591-R1594 IonicContact OE1-NH2 3.41Å; E1591-R1594 PolarHBondContact OE1-NH2 2.71Å; E1591-R1594 WeakPolarHBondContact OE2-CD 3.42Å; E1591-R1594 IonicContact OE2-CZ 2.72Å; E1591-R1594 IonicContact OE2-NE 2.71Å; E1591-R1594 PolarHBondContact OE2-NE 2.91Å; E1591-R1594 IonicContact OE2-NH2 3.98Å; D1592-R1594 VanDerWaalsContact C-N 3.35Å; R1594-Q1597 PolarHBondContact O-N 3.21Å; R1594-Q1598 WeakPolarHBondContact O-CB 3.32Å; R1594-Q1598 PolarHBondContact O-N 2.76Å
1595I95Very high84.1Confident49 Ų4975.8 Ų75.825%0.25140%0.402SS..Hα-helixtrans-63-48.6176.7-71.9164.2000110.6E1591 D1592 V1593 Q1598 A1599 W1616 Y1623E1591-I1595 HydrophobicContact CG-CD1 4.04Å; E1591-I1595 HydrophobicContact CG-CG1 4.41Å; E1591-I1595 WeakPolarHBondContact O-CB 3.41Å; E1591-I1595 WeakPolarHBondContact O-CG1 3.17Å; E1591-I1595 PolarHBondContact O-N 3.17Å; D1592-I1595 PolarHBondContact O-N 2.81Å; V1593-I1595 PolarHBondContact O-N 3.02Å; I1595-Q1598 PolarHBondContact O-N 2.78Å; I1595-A1599 VanDerWaalsContact O-CB 3.27Å; I1595-A1599 WeakPolarHBondContact O-CB 3.49Å; I1595-A1599 PolarHBondContact O-N 2.96Å; I1595-W1616 HydrophobicContact CG2-CH2 4.41Å; I1595-Y1623 HydrophobicContact CD1-CE1 4.35Å; I1595-Y1623 HydrophobicContact CG2-CD2 4.46Å; I1595-Y1623 HydrophobicContact CG2-CE1 4.11Å; I1595-Y1623 HydrophobicContact CG2-CE2 3.95Å
1596V96Very high86.7Confident0 Ų077.5 Ų77.50%039%0.393CS..Hα-helixtrans-63.9-43.5178.1172.30000111.6D1592 V1593 A1599 Y1600 F1613 W1616 Y1623 A1626 W1627 I1630D1592-V1596 WeakPolarHBondContact O-CB 3.39Å; D1592-V1596 VanDerWaalsContact O-CG2 3.3Å; D1592-V1596 WeakPolarHBondContact O-CG2 3.35Å; D1592-V1596 PolarHBondContact O-N 3.15Å; V1593-V1596 PolarHBondContact O-N 3.12Å; V1596-A1599 PolarHBondContact O-N 2.93Å; V1596-Y1600 VanDerWaalsContact O-CB 3.32Å; V1596-Y1600 WeakPolarHBondContact O-CB 3.26Å; V1596-Y1600 PolarHBondContact O-N 3.03Å; V1596-F1613 HydrophobicContact CG1-CZ 4.06Å; V1596-W1616 HydrophobicContact CG2-CH2 4.23Å; V1596-W1616 HydrophobicContact CG2-CZ3 4.34Å; V1596-Y1623 HydrophobicContact CG2-CD1 4.32Å; V1596-Y1623 HydrophobicContact CG2-CG 3.98Å; V1596-A1626 HydrophobicContact CG2-CB 3.97Å; V1596-W1627 HydrophobicContact CG1-CB 3.9Å; V1596-W1627 HydrophobicContact CG1-CD2 4.36Å; V1596-W1627 HydrophobicContact CG1-CE3 3.7Å; V1596-W1627 HydrophobicContact CG1-CG 4.49Å; V1596-I1630 HydrophobicContact CB-CD1 3.84Å; V1596-I1630 HydrophobicContact CG1-CD1 3.56Å
1597Q94.2Very high88.5Confident84 Ų8476.2 Ų76.239%0.39340%0.395SS..Hα-helixtrans-71.6-34.1-178-159.7151.9-3.100111.2V1593 R1594 T1601 I1630V1593-Q1597 WeakPolarHBondContact O-CB 3.47Å; V1593-Q1597 PolarHBondContact O-N 2.64Å; R1594-Q1597 PolarHBondContact O-N 3.21Å; Q1597-T1601 WeakPolarHBondContact O-CB 3.34Å; Q1597-T1601 PolarHBondContact O-N 2.76Å; Q1597-T1601 PolarHBondContact O-OG1 3.49Å; Q1597-I1630 HydrophobicContact CB-CD1 3.96Å
1598Q95.1Very high89.8Confident100 Ų10072 Ų7247%0.46737%0.366SS..Hα-helixtrans-66.6-47.1169.9-174.9169.3-13.700111.2R1594 I1595 T1601 T1602R1594-Q1598 WeakPolarHBondContact O-CB 3.32Å; R1594-Q1598 PolarHBondContact O-N 2.76Å; I1595-Q1598 PolarHBondContact O-N 2.78Å; Q1598-T1601 PolarHBondContact O-N 3.47Å; Q1598-T1602 WeakPolarHBondContact O-CB 3.34Å; Q1598-T1602 PolarHBondContact O-N 3.42Å; Q1598-T1602 PolarHBondContact O-OG1 3.06Å
1599A93.8Very high90Very high17 Ų1772.9 Ų72.914%0.1438%0.376CS..Hα-helixtrans-60.7-47.4176.900000112.2I1595 V1596 T1601 T1602 M1603 W1616I1595-A1599 VanDerWaalsContact O-CB 3.27Å; I1595-A1599 WeakPolarHBondContact O-CB 3.49Å; I1595-A1599 PolarHBondContact O-N 2.96Å; V1596-A1599 PolarHBondContact O-N 2.93Å; A1599-T1601 VanDerWaalsContact C-N 3.33Å; A1599-T1601 PolarHBondContact O-N 2.71Å; A1599-T1602 PolarHBondContact O-N 3.28Å; A1599-M1603 WeakPolarHBondContact O-CB 3.47Å; A1599-M1603 VanDerWaalsContact O-CG 3.31Å; A1599-M1603 WeakPolarHBondContact O-CG 3.27Å; A1599-M1603 PolarHBondContact O-N 3.19Å; A1599-W1616 HydrophobicContact CB-CD2 4.4Å; A1599-W1616 HydrophobicContact CB-CE3 4.17Å; A1599-W1616 HydrophobicContact CB-CH2 3.51Å; A1599-W1616 HydrophobicContact CB-CZ2 3.75Å; A1599-W1616 HydrophobicContact CB-CZ3 3.73Å
1600Y94.4Very high89.7Confident69 Ų6974.6 Ų74.627%0.27139%0.393SS..Hα-helixtrans-59.4-44175.1-175.3-100000111.6V1596 M1603 R1604 F1613 W1627V1596-Y1600 VanDerWaalsContact O-CB 3.32Å; V1596-Y1600 WeakPolarHBondContact O-CB 3.26Å; V1596-Y1600 PolarHBondContact O-N 3.03Å; Y1600-M1603 PolarHBondContact O-N 3.23Å; Y1600-R1604 HydrophobicContact CD1-CG 4.14Å; Y1600-R1604 HydrophobicContact CE1-CG 3.69Å; Y1600-R1604 HydrophobicContact CE2-CG 4.45Å; Y1600-R1604 WeakPolarHBondContact O-CB 3.45Å; Y1600-R1604 WeakPolarHBondContact O-CG 2.96Å; Y1600-R1604 PolarHBondContact O-N 3.24Å; Y1600-R1604 PolarHBondContact OH-NE 2.92Å; Y1600-R1604 PolarHBondContact OH-NH2 2.92Å; Y1600-F1613 AromaticContact CD2-CD1 3.78Å; Y1600-F1613 HydrophobicContact CD2-CD1 3.78Å; Y1600-F1613 AromaticContact CD2-CD2 3.93Å; Y1600-F1613 HydrophobicContact CD2-CD2 3.93Å; Y1600-F1613 AromaticContact CD2-CE1 3.78Å; Y1600-F1613 HydrophobicContact CD2-CE1 3.78Å; Y1600-F1613 AromaticContact CD2-CE2 3.93Å; Y1600-F1613 HydrophobicContact CD2-CE2 3.93Å; Y1600-F1613 AromaticContact CD2-CG 3.85Å; Y1600-F1613 HydrophobicContact CD2-CG 3.85Å; Y1600-F1613 AromaticContact CD2-CZ 3.85Å; Y1600-F1613 HydrophobicContact CD2-CZ 3.85Å; Y1600-F1613 HydrophobicContact CE2-CD1 4.28Å; Y1600-F1613 HydrophobicContact CE2-CE1 4.49Å; Y1600-F1613 HydrophobicContact CG-CE2 4.31Å; Y1600-F1613 HydrophobicContact CG-CZ 4.37Å; Y1600-W1627 HydrophobicContact CD1-CH2 4.32Å; Y1600-W1627 HydrophobicContact CD1-CZ3 4.31Å; Y1600-W1627 AromaticContact CD2-CH2 3.54Å; Y1600-W1627 HydrophobicContact CD2-CH2 3.54Å; Y1600-W1627 HydrophobicContact CD2-CZ2 4.31Å; Y1600-W1627 AromaticContact CD2-CZ3 3.82Å; Y1600-W1627 HydrophobicContact CD2-CZ3 3.82Å; Y1600-W1627 HydrophobicContact CE1-CH2 4.34Å; Y1600-W1627 AromaticContact CE2-CH2 3.55Å; Y1600-W1627 HydrophobicContact CE2-CH2 3.55Å; Y1600-W1627 HydrophobicContact CE2-CZ2 4.18Å; Y1600-W1627 HydrophobicContact CE2-CZ3 4.29Å; Y1600-W1627 AromaticContact CG-CH2 3.95Å; Y1600-W1627 HydrophobicContact CG-CH2 3.95Å; Y1600-W1627 AromaticContact CG-CZ3 3.84Å; Y1600-W1627 HydrophobicContact CG-CZ3 3.84Å; Y1600-W1627 AromaticContact CZ-CH2 3.98Å
1601T92.1Very high89.7Confident59 Ų5973.3 Ų73.336%0.36239%0.387SS..Hα-helixtrans-67.2-43.8179.4-59.10000111.6Q1597 Q1598 A1599 R1604 Q1605Q1597-T1601 WeakPolarHBondContact O-CB 3.34Å; Q1597-T1601 PolarHBondContact O-N 2.76Å; Q1597-T1601 PolarHBondContact O-OG1 3.49Å; Q1598-T1601 PolarHBondContact O-N 3.47Å; A1599-T1601 VanDerWaalsContact C-N 3.33Å; A1599-T1601 PolarHBondContact O-N 2.71Å; T1601-R1604 PolarHBondContact O-N 2.99Å; T1601-Q1605 HydrophobicContact CG2-CG 4.28Å; T1601-Q1605 WeakPolarHBondContact O-CB 3.3Å; T1601-Q1605 VanDerWaalsContact O-CG 3.26Å; T1601-Q1605 WeakPolarHBondContact O-CG 2.99Å; T1601-Q1605 PolarHBondContact O-N 3.05Å
1602T93.5Very high89.7Confident63 Ų6373 Ų7339%0.38739%0.385SS..Hα-helixtrans-63.7-41.8176.5-58.80000111.5Q1598 A1599 Q1605 R1606Q1598-T1602 WeakPolarHBondContact O-CB 3.34Å; Q1598-T1602 PolarHBondContact O-N 3.42Å; Q1598-T1602 PolarHBondContact O-OG1 3.06Å; A1599-T1602 PolarHBondContact O-N 3.28Å; T1602-Q1605 PolarHBondContact O-N 3.19Å; T1602-R1606 PolarHBondContact O-N 2.77Å
1603M94.7Very high89.7Confident19 Ų1971 Ų719%0.09437%0.374CS..Hα-helixtrans-65.4-42.4175.2-71-174.9-165.900111.8A1599 Y1600 R1606 G1607 A1608 F1613 W1616A1599-M1603 WeakPolarHBondContact O-CB 3.47Å; A1599-M1603 VanDerWaalsContact O-CG 3.31Å; A1599-M1603 WeakPolarHBondContact O-CG 3.27Å; A1599-M1603 PolarHBondContact O-N 3.19Å; Y1600-M1603 PolarHBondContact O-N 3.23Å; M1603-R1606 WeakPolarHBondContact O-CG 3.34Å; M1603-R1606 PolarHBondContact O-N 3.46Å; M1603-G1607 PolarHBondContact O-N 2.91Å; M1603-A1608 HydrophobicContact CB-CB 4.07Å; M1603-A1608 VanDerWaalsContact O-CB 3.29Å; M1603-A1608 WeakPolarHBondContact O-CB 3.33Å; M1603-A1608 PolarHBondContact O-N 3.38Å; M1603-F1613 VanDerWaalsContact SD-CA 3.56Å; M1603-F1613 HydrophobicContact SD-CB 3.76Å; M1603-F1613 HydrophobicContact SD-CD2 3.83Å; M1603-F1613 HydrophobicContact SD-CG 4.3Å; M1603-W1616 HydrophobicContact CE-CB 3.73Å; M1603-W1616 HydrophobicContact CE-CD2 4.13Å; M1603-W1616 HydrophobicContact CE-CG 3.65Å; M1603-W1616 HydrophobicContact SD-CB 4.43Å
1604R84.7Confident89.4Confident170 Ų17072.9 Ų72.964%0.64239%0.388SS*.Hα-helixtrans-60.5-44.4172-84.2-66.6-154.9157.66.4112.9Y1600 T1601 R1606 G1607Y1600-R1604 HydrophobicContact CD1-CG 4.14Å; Y1600-R1604 HydrophobicContact CE1-CG 3.69Å; Y1600-R1604 HydrophobicContact CE2-CG 4.45Å; Y1600-R1604 WeakPolarHBondContact O-CB 3.45Å; Y1600-R1604 WeakPolarHBondContact O-CG 2.96Å; Y1600-R1604 PolarHBondContact O-N 3.24Å; Y1600-R1604 PolarHBondContact OH-NE 2.92Å; Y1600-R1604 PolarHBondContact OH-NH2 2.92Å; T1601-R1604 PolarHBondContact O-N 2.99Å; R1604-R1606 PolarHBondContact O-N 3.14Å; R1604-G1607 PolarHBondContact O-N 3.1Å; R1604-G1607 VanDerWaalsContact O-N 3.1Å
1605Q87Confident89.1Confident156 Ų15670.1 Ų70.173%0.72939%0.388SS*.Hα-helixtrans-66.6-34-178.7-78173.2-14.400112.6T1601 T1602 G1607T1601-Q1605 HydrophobicContact CG2-CG 4.28Å; T1601-Q1605 WeakPolarHBondContact O-CB 3.3Å; T1601-Q1605 VanDerWaalsContact O-CG 3.26Å; T1601-Q1605 WeakPolarHBondContact O-CG 2.99Å; T1601-Q1605 PolarHBondContact O-N 3.05Å; T1602-Q1605 PolarHBondContact O-N 3.19Å; Q1605-G1607 VanDerWaalsContact C-N 3.26Å; Q1605-G1607 PolarHBondContact O-N 2.73Å
1606R86.8Confident89.2Confident153 Ų15370.8 Ų70.858%0.57739%0.387SS*.THydrogen-bonded Turntrans-825.2172.177.1-179.4176.2-1483.7114.7T1602 M1603 R1604 A1608 E1612T1602-R1606 PolarHBondContact O-N 2.77Å; M1603-R1606 WeakPolarHBondContact O-CG 3.34Å; M1603-R1606 PolarHBondContact O-N 3.46Å; R1604-R1606 PolarHBondContact O-N 3.14Å; R1606-A1608 VanDerWaalsContact C-N 3.28Å; R1606-A1608 HydrophobicContact CG-CB 4.03Å; R1606-A1608 PolarHBondContact O-N 3.21Å; R1606-E1612 IonicContact CZ-OE1 3.01Å; R1606-E1612 IonicContact NE-OE1 3.01Å; R1606-E1612 PolarHBondContact NE-OE1 2.89Å; R1606-E1612 IonicContact NH2-OE1 2.7Å; R1606-E1612 PolarHBondContact NH2-OE1 3.42Å
1607G75.9Confident89Confident63 Ų6371.4 Ų71.465%0.64939%0.391SS*.THydrogen-bonded Turntrans69.219.8-179.600000114.9M1603 R1604 Q1605M1603-G1607 PolarHBondContact O-N 2.91Å; R1604-G1607 PolarHBondContact O-N 3.1Å; R1604-G1607 VanDerWaalsContact O-N 3.1Å; Q1605-G1607 VanDerWaalsContact C-N 3.26Å; Q1605-G1607 PolarHBondContact O-N 2.73Å
1608A80.6Confident88.7Confident19 Ų1973.6 Ų73.616%0.15741%0.405CS..  trans-61.9141.2-178.600000111.9M1603 R1606 E1612M1603-A1608 HydrophobicContact CB-CB 4.07Å; M1603-A1608 VanDerWaalsContact O-CB 3.29Å; M1603-A1608 WeakPolarHBondContact O-CB 3.33Å; M1603-A1608 PolarHBondContact O-N 3.38Å; R1606-A1608 VanDerWaalsContact C-N 3.28Å; R1606-A1608 HydrophobicContact CG-CB 4.03Å; R1606-A1608 PolarHBondContact O-N 3.21Å; A1608-E1612 HydrophobicContact CB-CB 4.33Å; A1608-E1612 WeakPolarHBondContact CB-OE2 3.39Å
1609P81.4Confident88.3Confident76 Ų7673.2 Ų73.249%0.49441%0.413SS..  trans-65.8149.6175.729.4-35000110.8S1611 E1612P1609-S1611 PolarHBondContact O-N 3.45Å; P1609-E1612 HydrophobicContact CG-CB 4.29Å; P1609-E1612 VanDerWaalsContact O-CB 3.3Å; P1609-E1612 WeakPolarHBondContact O-CB 3.31Å; P1609-E1612 PolarHBondContact O-N 2.91Å
1610A78.8Confident88.2Confident81 Ų8173.2 Ų73.267%0.66941%0.412SS*.Hα-helixtrans-60-23.8-176.200000114.1E1612 S1614A1610-E1612 VanDerWaalsContact C-N 3.29Å; A1610-E1612 PolarHBondContact O-N 3.45Å; A1610-S1614 PolarHBondContact O-N 2.9Å; A1610-S1614 PolarHBondContact O-OG 3.48Å
1611S86.8Confident87.7Confident83 Ų8374.3 Ų74.358%0.5843%0.428SS*.Hα-helixtrans-62.3-31.4171.547.30000113.3P1609 S1614 S1615P1609-S1611 PolarHBondContact O-N 3.45Å; S1611-S1614 PolarHBondContact O-N 2.72Å; S1611-S1615 WeakPolarHBondContact O-CB 3.49Å; S1611-S1615 PolarHBondContact O-N 3.22Å
1612E89.1Confident87.5Confident73 Ų7376.8 Ų76.834%0.34144%0.435SS..Hα-helixtrans-70.6-44.8179.7-164.6-175.5126.500111R1606 A1608 P1609 A1610 S1614 S1615 W1616R1606-E1612 IonicContact CZ-OE1 3.01Å; R1606-E1612 IonicContact NE-OE1 3.01Å; R1606-E1612 PolarHBondContact NE-OE1 2.89Å; R1606-E1612 IonicContact NH2-OE1 2.7Å; R1606-E1612 PolarHBondContact NH2-OE1 3.42Å; A1608-E1612 HydrophobicContact CB-CB 4.33Å; A1608-E1612 WeakPolarHBondContact CB-OE2 3.39Å; P1609-E1612 HydrophobicContact CG-CB 4.29Å; P1609-E1612 VanDerWaalsContact O-CB 3.3Å; P1609-E1612 WeakPolarHBondContact O-CB 3.31Å; P1609-E1612 PolarHBondContact O-N 2.91Å; A1610-E1612 VanDerWaalsContact C-N 3.29Å; A1610-E1612 PolarHBondContact O-N 3.45Å; E1612-S1614 VanDerWaalsContact C-N 3.34Å; E1612-S1614 PolarHBondContact O-N 3.44Å; E1612-S1615 WeakPolarHBondContact O-CB 3.05Å; E1612-S1615 PolarHBondContact O-N 3.24Å; E1612-W1616 PolarHBondContact O-N 2.77Å
1613F94.5Very high87.5Confident11 Ų1176 Ų765%0.04843%0.425CS..Hα-helixtrans-65-37.8171.9179.5-97.7000112V1596 Y1600 M1603 S1615 W1616 L1617 W1627V1596-F1613 HydrophobicContact CG1-CZ 4.06Å; Y1600-F1613 AromaticContact CD2-CD1 3.78Å; Y1600-F1613 HydrophobicContact CD2-CD1 3.78Å; Y1600-F1613 AromaticContact CD2-CD2 3.93Å; Y1600-F1613 HydrophobicContact CD2-CD2 3.93Å; Y1600-F1613 AromaticContact CD2-CE1 3.78Å; Y1600-F1613 HydrophobicContact CD2-CE1 3.78Å; Y1600-F1613 AromaticContact CD2-CE2 3.93Å; Y1600-F1613 HydrophobicContact CD2-CE2 3.93Å; Y1600-F1613 AromaticContact CD2-CG 3.85Å; Y1600-F1613 HydrophobicContact CD2-CG 3.85Å; Y1600-F1613 AromaticContact CD2-CZ 3.85Å; Y1600-F1613 HydrophobicContact CD2-CZ 3.85Å; Y1600-F1613 HydrophobicContact CE2-CD1 4.28Å; Y1600-F1613 HydrophobicContact CE2-CE1 4.49Å; Y1600-F1613 HydrophobicContact CG-CE2 4.31Å; Y1600-F1613 HydrophobicContact CG-CZ 4.37Å; M1603-F1613 VanDerWaalsContact SD-CA 3.56Å; M1603-F1613 HydrophobicContact SD-CB 3.76Å; M1603-F1613 HydrophobicContact SD-CD2 3.83Å; M1603-F1613 HydrophobicContact SD-CG 4.3Å; F1613-S1615 VanDerWaalsContact C-N 3.33Å; F1613-S1615 PolarHBondContact O-N 3.02Å; F1613-W1616 AromaticContact CD2-CE3 4Å; F1613-W1616 HydrophobicContact CD2-CE3 4Å; F1613-W1616 HydrophobicContact CD2-CZ3 4.48Å; F1613-W1616 AromaticContact CE2-CE3 3.7Å; F1613-W1616 HydrophobicContact CE2-CE3 3.7Å; F1613-W1616 AromaticContact CE2-CZ3 3.74Å; F1613-W1616 HydrophobicContact CE2-CZ3 3.74Å; F1613-W1616 HydrophobicContact CZ-CE3 4.42Å; F1613-W1616 HydrophobicContact CZ-CZ3 4.3Å; F1613-W1616 PolarHBondContact O-N 3.42Å; F1613-L1617 HydrophobicContact CE1-CD1 4.43Å; F1613-L1617 HydrophobicContact CZ-CD1 4.11Å; F1613-L1617 WeakPolarHBondContact O-CB 3.42Å; F1613-L1617 PolarHBondContact O-N 2.74Å; F1613-W1627 AromaticContact CE1-CD2 3.72Å; F1613-W1627 HydrophobicContact CE1-CD2 3.72Å; F1613-W1627 AromaticContact CE1-CE2 3.67Å; F1613-W1627 AromaticContact CE1-CE3 3.99Å; F1613-W1627 HydrophobicContact CE1-CE3 3.99Å; F1613-W1627 HydrophobicContact CE1-CG 4.23Å; F1613-W1627 HydrophobicContact CE1-CH2 4.16Å; F1613-W1627 AromaticContact CE1-CZ2 3.9Å; F1613-W1627 HydrophobicContact CE1-CZ2 3.9Å; F1613-W1627 HydrophobicContact CE1-CZ3 4.19Å; F1613-W1627 AromaticContact CZ-CD2 3.91Å; F1613-W1627 HydrophobicContact CZ-CD2 3.91Å; F1613-W1627 AromaticContact CZ-CE3 3.81Å; F1613-W1627 HydrophobicContact CZ-CE3 3.81Å; F1613-W1627 HydrophobicContact CZ-CG 4.41Å; F1613-W1627 HydrophobicContact CZ-CZ3 4.13Å
1614S88.9Confident87.4Confident60 Ų6077.1 Ų77.142%0.4243%0.433SS..Hα-helixtrans-63.2-39.1173.4-61.20000112A1610 S1611 E1612 L1617 N1618A1610-S1614 PolarHBondContact O-N 2.9Å; A1610-S1614 PolarHBondContact O-OG 3.48Å; S1611-S1614 PolarHBondContact O-N 2.72Å; E1612-S1614 VanDerWaalsContact C-N 3.34Å; E1612-S1614 PolarHBondContact O-N 3.44Å; S1614-L1617 PolarHBondContact O-N 3.01Å; S1614-N1618 WeakPolarHBondContact O-CB 3.13Å; S1614-N1618 PolarHBondContact O-N 3.46Å; S1614-N1618 PolarHBondContact O-ND2 2.89Å; S1614-N1618 PolarHBondContact O-OD1 3.49Å
1615S88.4Confident87.5Confident68 Ų6876.2 Ų76.248%0.47643%0.43SS..Hα-helixtrans-64.3-46.6173.6-166.50000111.2S1611 E1612 F1613 L1617 N1618 S1619S1611-S1615 WeakPolarHBondContact O-CB 3.49Å; S1611-S1615 PolarHBondContact O-N 3.22Å; E1612-S1615 WeakPolarHBondContact O-CB 3.05Å; E1612-S1615 PolarHBondContact O-N 3.24Å; F1613-S1615 VanDerWaalsContact C-N 3.33Å; F1613-S1615 PolarHBondContact O-N 3.02Å; S1615-L1617 VanDerWaalsContact C-N 3.32Å; S1615-L1617 PolarHBondContact O-N 2.8Å; S1615-N1618 PolarHBondContact O-N 3.05Å; S1615-S1619 WeakPolarHBondContact O-CB 3.27Å; S1615-S1619 PolarHBondContact O-N 2.94Å; S1615-S1619 PolarHBondContact O-OG 3.22Å
1616W95.6Very high87.8Confident62 Ų6268.9 Ų68.924%0.23540%0.396CS..Hα-helixtrans-60.8-40.4177.9175.780.2000112.5I1595 V1596 A1599 M1603 E1612 F1613 S1619 S1620 Y1623I1595-W1616 HydrophobicContact CG2-CH2 4.41Å; V1596-W1616 HydrophobicContact CG2-CH2 4.23Å; V1596-W1616 HydrophobicContact CG2-CZ3 4.34Å; A1599-W1616 HydrophobicContact CB-CD2 4.4Å; A1599-W1616 HydrophobicContact CB-CE3 4.17Å; A1599-W1616 HydrophobicContact CB-CH2 3.51Å; A1599-W1616 HydrophobicContact CB-CZ2 3.75Å; A1599-W1616 HydrophobicContact CB-CZ3 3.73Å; M1603-W1616 HydrophobicContact CE-CB 3.73Å; M1603-W1616 HydrophobicContact CE-CD2 4.13Å; M1603-W1616 HydrophobicContact CE-CG 3.65Å; M1603-W1616 HydrophobicContact SD-CB 4.43Å; E1612-W1616 PolarHBondContact O-N 2.77Å; F1613-W1616 AromaticContact CD2-CE3 4Å; F1613-W1616 HydrophobicContact CD2-CE3 4Å; F1613-W1616 HydrophobicContact CD2-CZ3 4.48Å; F1613-W1616 AromaticContact CE2-CE3 3.7Å; F1613-W1616 HydrophobicContact CE2-CE3 3.7Å; F1613-W1616 AromaticContact CE2-CZ3 3.74Å; F1613-W1616 HydrophobicContact CE2-CZ3 3.74Å; F1613-W1616 HydrophobicContact CZ-CE3 4.42Å; F1613-W1616 HydrophobicContact CZ-CZ3 4.3Å; F1613-W1616 PolarHBondContact O-N 3.42Å; W1616-S1619 CarbonylContact O-C 3.55Å; W1616-S1619 PolarHBondContact O-N 3.38Å; W1616-S1620 VanDerWaalsContact O-CB 3.27Å; W1616-S1620 WeakPolarHBondContact O-CB 3.43Å; W1616-S1620 PolarHBondContact O-N 2.91Å; W1616-S1620 PolarHBondContact O-OG 3.35Å; W1616-Y1623 AromaticContact CH2-CD2 3.66Å; W1616-Y1623 HydrophobicContact CH2-CD2 3.66Å; W1616-Y1623 HydrophobicContact CH2-CE2 4.29Å; W1616-Y1623 HydrophobicContact CH2-CG 4.32Å; W1616-Y1623 AromaticContact CZ2-CD2 3.81Å; W1616-Y1623 HydrophobicContact CZ2-CD2 3.81Å; W1616-Y1623 HydrophobicContact CZ2-CE2 4.07Å
1617L93.2Very high88.3Confident14 Ų1463.6 Ų63.67%0.07338%0.376CS..Hα-helixtrans-67.8-40.6177.1-158.181.7000111.6F1613 S1614 S1615 S1619 S1620 V1624 W1627F1613-L1617 HydrophobicContact CE1-CD1 4.43Å; F1613-L1617 HydrophobicContact CZ-CD1 4.11Å; F1613-L1617 WeakPolarHBondContact O-CB 3.42Å; F1613-L1617 PolarHBondContact O-N 2.74Å; S1614-L1617 PolarHBondContact O-N 3.01Å; S1615-L1617 VanDerWaalsContact C-N 3.32Å; S1615-L1617 PolarHBondContact O-N 2.8Å; L1617-S1619 VanDerWaalsContact C-N 3.32Å; L1617-S1619 PolarHBondContact O-N 2.95Å; L1617-S1620 CarbonylContact O-C 3.56Å; L1617-S1620 VanDerWaalsContact O-C 3.29Å; L1617-S1620 PolarHBondContact O-N 3.46Å; L1617-S1620 VanDerWaalsContact O-N 3.13Å; L1617-V1624 HydrophobicContact CD2-CG2 4.22Å; L1617-V1624 HydrophobicContact CG-CG2 3.98Å; L1617-W1627 HydrophobicContact CD1-CB 3.84Å; L1617-W1627 HydrophobicContact CD1-CG 4.3Å; L1617-W1627 HydrophobicContact CD2-CB 3.96Å; L1617-W1627 HydrophobicContact CD2-CG 3.89Å
1618N88.1Confident89Confident130 Ų13065.1 Ų65.170%0.69537%0.366SS*.Hα-helixtrans-65.4-34.2173.5-70.2-12.2000112.3S1614 S1615 S1620S1614-N1618 WeakPolarHBondContact O-CB 3.13Å; S1614-N1618 PolarHBondContact O-N 3.46Å; S1614-N1618 PolarHBondContact O-ND2 2.89Å; S1614-N1618 PolarHBondContact O-OD1 3.49Å; S1615-N1618 PolarHBondContact O-N 3.05Å; N1618-S1620 VanDerWaalsContact C-N 3.26Å; N1618-S1620 PolarHBondContact O-N 3.44Å
1619S87Confident89.6Confident92 Ų9270 Ų7064%0.64338%0.381SS*.THydrogen-bonded Turntrans-75.8-10.7173-59.70000113.8S1615 W1616 L1617S1615-S1619 WeakPolarHBondContact O-CB 3.27Å; S1615-S1619 PolarHBondContact O-N 2.94Å; S1615-S1619 PolarHBondContact O-OG 3.22Å; W1616-S1619 CarbonylContact O-C 3.55Å; W1616-S1619 PolarHBondContact O-N 3.38Å; L1617-S1619 VanDerWaalsContact C-N 3.32Å; L1617-S1619 PolarHBondContact O-N 2.95Å
1620S90.3Very high90.1Very high16 Ų1666.8 Ų66.811%0.11236%0.36CS..  trans-130.862.1-174.9-44.90000111W1616 L1617 N1618 Q1622 Y1623W1616-S1620 VanDerWaalsContact O-CB 3.27Å; W1616-S1620 WeakPolarHBondContact O-CB 3.43Å; W1616-S1620 PolarHBondContact O-N 2.91Å; W1616-S1620 PolarHBondContact O-OG 3.35Å; L1617-S1620 CarbonylContact O-C 3.56Å; L1617-S1620 VanDerWaalsContact O-C 3.29Å; L1617-S1620 PolarHBondContact O-N 3.46Å; L1617-S1620 VanDerWaalsContact O-N 3.13Å; N1618-S1620 VanDerWaalsContact C-N 3.26Å; N1618-S1620 PolarHBondContact O-N 3.44Å; S1620-Q1622 PolarHBondContact O-N 2.85Å; S1620-Q1622 PolarHBondContact O-OE1 3.43Å; S1620-Y1623 WeakPolarHBondContact O-CB 3.25Å; S1620-Y1623 PolarHBondContact O-N 2.95Å
1621P85.5Confident90.7Very high92 Ų9267.8 Ų67.860%0.59735%0.351SS*.G310 helixtrans-58.2-27-166.922.7-34.5000114.7Y1623 V1624P1621-Y1623 PolarHBondContact O-N 2.89Å; P1621-V1624 WeakPolarHBondContact O-CB 3.26Å; P1621-V1624 WeakPolarHBondContact O-CG2 3.28Å; P1621-V1624 PolarHBondContact O-N 2.93Å
1622Q86.6Confident90.6Very high112 Ų11270.3 Ų70.352%0.52335%0.353SS..G310 helixtrans-57.7-33.2174.569.8-79.517.500112.8S1620S1620-Q1622 PolarHBondContact O-N 2.85Å; S1620-Q1622 PolarHBondContact O-OE1 3.43Å
1623Y94.9Very high90.3Very high45 Ų4568.8 Ų68.818%0.17635%0.351CS..G310 helixtrans-85.6-8.6-175.9-65.3-36.6000114.3D1592 I1595 V1596 W1616 S1620 P1621 R1625 A1626 W1627D1592-Y1623 HydrophobicContact CB-CD1 4.24Å; D1592-Y1623 HydrophobicContact CB-CE1 4.49Å; I1595-Y1623 HydrophobicContact CD1-CE1 4.35Å; I1595-Y1623 HydrophobicContact CG2-CD2 4.46Å; I1595-Y1623 HydrophobicContact CG2-CE1 4.11Å; I1595-Y1623 HydrophobicContact CG2-CE2 3.95Å; V1596-Y1623 HydrophobicContact CG2-CD1 4.32Å; V1596-Y1623 HydrophobicContact CG2-CG 3.98Å; W1616-Y1623 AromaticContact CH2-CD2 3.66Å; W1616-Y1623 HydrophobicContact CH2-CD2 3.66Å; W1616-Y1623 HydrophobicContact CH2-CE2 4.29Å; W1616-Y1623 HydrophobicContact CH2-CG 4.32Å; W1616-Y1623 AromaticContact CZ2-CD2 3.81Å; W1616-Y1623 HydrophobicContact CZ2-CD2 3.81Å; W1616-Y1623 HydrophobicContact CZ2-CE2 4.07Å; S1620-Y1623 WeakPolarHBondContact O-CB 3.25Å; S1620-Y1623 PolarHBondContact O-N 2.95Å; P1621-Y1623 PolarHBondContact O-N 2.89Å; Y1623-R1625 VanDerWaalsContact C-N 3.3Å; Y1623-R1625 PolarHBondContact O-N 2.82Å; Y1623-A1626 PolarHBondContact O-N 2.88Å; Y1623-A1626 VanDerWaalsContact O-N 3.15Å; Y1623-W1627 PolarHBondContact O-N 2.93Å
1624V91.6Very high89.6Confident43 Ų4374.1 Ų74.126%0.26138%0.376SS..Hα-helixtrans-60.1-38.4-178.2175.30000111.9L1617 P1621 W1627 Q1628L1617-V1624 HydrophobicContact CD2-CG2 4.22Å; L1617-V1624 HydrophobicContact CG-CG2 3.98Å; P1621-V1624 WeakPolarHBondContact O-CB 3.26Å; P1621-V1624 WeakPolarHBondContact O-CG2 3.28Å; P1621-V1624 PolarHBondContact O-N 2.93Å; V1624-W1627 PolarHBondContact O-N 3.32Å; V1624-Q1628 WeakPolarHBondContact O-CG 3.25Å; V1624-Q1628 PolarHBondContact O-N 3.48Å; V1624-Q1628 VanDerWaalsContact O-N 3.08Å
1625R86.8Confident89Confident152 Ų15277 Ų7757%0.57439%0.386SS*.Hα-helixtrans-66.7-40.2176.6-70.7-174.5179-1791.4112.3C1586 I1588 Y1623 Q1628 Y1629C1586-R1625 PolarHBondContact SG-NH1 3.39Å; C1586-R1625 VanDerWaalsContact SG-NH1 3.4Å; I1588-R1625 HydrophobicContact CD1-CB 4.42Å; Y1623-R1625 VanDerWaalsContact C-N 3.3Å; Y1623-R1625 PolarHBondContact O-N 2.82Å; R1625-Q1628 PolarHBondContact O-N 3.19Å; R1625-Y1629 PolarHBondContact O-N 3.19Å
1626A94.2Very high88.2Confident1 Ų178.6 Ų78.61%0.00839%0.386CS..Hα-helixtrans-65-39.1176.800000111.8I1588 D1592 V1593 V1596 Y1623 Y1629 I1630I1588-A1626 HydrophobicContact CG2-CB 3.83Å; D1592-A1626 HydrophobicContact CB-CB 3.86Å; V1593-A1626 HydrophobicContact CG2-CB 4.25Å; V1596-A1626 HydrophobicContact CG2-CB 3.97Å; Y1623-A1626 PolarHBondContact O-N 2.88Å; Y1623-A1626 VanDerWaalsContact O-N 3.15Å; A1626-Y1629 PolarHBondContact O-N 3.07Å; A1626-I1630 WeakPolarHBondContact O-CG1 3.23Å; A1626-I1630 PolarHBondContact O-N 3.21Å
1627W95.5Very high87.2Confident42 Ų4280 Ų8016%0.15940%0.398CS..Hα-helixtrans-62.5-44.4172-179.4-120.1000112.9V1596 Y1600 F1613 L1617 Y1623 V1624 Y1629 I1630 Q1631V1596-W1627 HydrophobicContact CG1-CB 3.9Å; V1596-W1627 HydrophobicContact CG1-CD2 4.36Å; V1596-W1627 HydrophobicContact CG1-CE3 3.7Å; V1596-W1627 HydrophobicContact CG1-CG 4.49Å; Y1600-W1627 HydrophobicContact CD1-CH2 4.32Å; Y1600-W1627 HydrophobicContact CD1-CZ3 4.31Å; Y1600-W1627 AromaticContact CD2-CH2 3.54Å; Y1600-W1627 HydrophobicContact CD2-CH2 3.54Å; Y1600-W1627 HydrophobicContact CD2-CZ2 4.31Å; Y1600-W1627 AromaticContact CD2-CZ3 3.82Å; Y1600-W1627 HydrophobicContact CD2-CZ3 3.82Å; Y1600-W1627 HydrophobicContact CE1-CH2 4.34Å; Y1600-W1627 AromaticContact CE2-CH2 3.55Å; Y1600-W1627 HydrophobicContact CE2-CH2 3.55Å; Y1600-W1627 HydrophobicContact CE2-CZ2 4.18Å; Y1600-W1627 HydrophobicContact CE2-CZ3 4.29Å; Y1600-W1627 AromaticContact CG-CH2 3.95Å; Y1600-W1627 HydrophobicContact CG-CH2 3.95Å; Y1600-W1627 AromaticContact CG-CZ3 3.84Å; Y1600-W1627 HydrophobicContact CG-CZ3 3.84Å; Y1600-W1627 AromaticContact CZ-CH2 3.98Å; F1613-W1627 AromaticContact CE1-CD2 3.72Å; F1613-W1627 HydrophobicContact CE1-CD2 3.72Å; F1613-W1627 AromaticContact CE1-CE2 3.67Å; F1613-W1627 AromaticContact CE1-CE3 3.99Å; F1613-W1627 HydrophobicContact CE1-CE3 3.99Å; F1613-W1627 HydrophobicContact CE1-CG 4.23Å; F1613-W1627 HydrophobicContact CE1-CH2 4.16Å; F1613-W1627 AromaticContact CE1-CZ2 3.9Å; F1613-W1627 HydrophobicContact CE1-CZ2 3.9Å; F1613-W1627 HydrophobicContact CE1-CZ3 4.19Å; F1613-W1627 AromaticContact CZ-CD2 3.91Å; F1613-W1627 HydrophobicContact CZ-CD2 3.91Å; F1613-W1627 AromaticContact CZ-CE3 3.81Å; F1613-W1627 HydrophobicContact CZ-CE3 3.81Å; F1613-W1627 HydrophobicContact CZ-CG 4.41Å; F1613-W1627 HydrophobicContact CZ-CZ3 4.13Å; L1617-W1627 HydrophobicContact CD1-CB 3.84Å; L1617-W1627 HydrophobicContact CD1-CG 4.3Å; L1617-W1627 HydrophobicContact CD2-CB 3.96Å; L1617-W1627 HydrophobicContact CD2-CG 3.89Å; Y1623-W1627 PolarHBondContact O-N 2.93Å; V1624-W1627 PolarHBondContact O-N 3.32Å; W1627-Y1629 VanDerWaalsContact C-N 3.26Å; W1627-Y1629 PolarHBondContact O-N 2.83Å; W1627-I1630 HydrophobicContact CE3-CB 4.25Å; W1627-I1630 HydrophobicContact CE3-CD1 4.34Å; W1627-I1630 HydrophobicContact CE3-CG2 4.21Å; W1627-I1630 HydrophobicContact CZ3-CG2 4.03Å; W1627-I1630 PolarHBondContact O-N 3.17Å; W1627-Q1631 HydrophobicContact CD2-CG 4.24Å; W1627-Q1631 HydrophobicContact CZ2-CG 4.03Å; W1627-Q1631 WeakPolarHBondContact O-CG 3.44Å; W1627-Q1631 PolarHBondContact O-N 3.19Å
1628Q91Very high86.1Confident96 Ų9684.7 Ų84.745%0.44942%0.419SS..Hα-helixtrans-59.5-36.7176-71.8171.8-2.800112.3V1624 R1625 Q1631 Q1632V1624-Q1628 WeakPolarHBondContact O-CG 3.25Å; V1624-Q1628 PolarHBondContact O-N 3.48Å; V1624-Q1628 VanDerWaalsContact O-N 3.08Å; R1625-Q1628 PolarHBondContact O-N 3.19Å; Q1628-Q1631 PolarHBondContact O-N 3.05Å; Q1628-Q1632 WeakPolarHBondContact O-CG 3.22Å; Q1628-Q1632 PolarHBondContact O-N 2.88Å
1629Y93.4Very high85Confident121 Ų12184.2 Ų84.248%0.47541%0.413SS..Hα-helixtrans-69.5-40174.8177.2-95.2000113.2I1588 V1593 R1625 A1626 W1627 Q1631 Q1632 S1633I1588-Y1629 HydrophobicContact CD1-CD2 4.12Å; I1588-Y1629 HydrophobicContact CD1-CG 3.99Å; V1593-Y1629 HydrophobicContact CG2-CD1 3.78Å; V1593-Y1629 HydrophobicContact CG2-CE1 4.17Å; R1625-Y1629 PolarHBondContact O-N 3.19Å; A1626-Y1629 PolarHBondContact O-N 3.07Å; W1627-Y1629 VanDerWaalsContact C-N 3.26Å; W1627-Y1629 PolarHBondContact O-N 2.83Å; Y1629-Q1631 VanDerWaalsContact C-N 3.3Å; Y1629-Q1631 PolarHBondContact O-N 3.45Å; Y1629-Q1632 PolarHBondContact O-N 3.19Å; Y1629-S1633 WeakPolarHBondContact O-CB 3.25Å; Y1629-S1633 PolarHBondContact O-N 2.95Å; Y1629-S1633 PolarHBondContact O-OG 3.45Å
1630I92.8Very high83.8Confident8 Ų885 Ų854%0.04141%0.406CS..Hα-helixtrans-60.6-42.3172.2-68.2160.8000110.3V1593 V1596 Q1597 A1626 W1627 S1633 H1634V1593-I1630 HydrophobicContact CG1-CD1 4.08Å; V1593-I1630 HydrophobicContact CG1-CG1 3.87Å; V1596-I1630 HydrophobicContact CB-CD1 3.84Å; V1596-I1630 HydrophobicContact CG1-CD1 3.56Å; Q1597-I1630 HydrophobicContact CB-CD1 3.96Å; A1626-I1630 WeakPolarHBondContact O-CG1 3.23Å; A1626-I1630 PolarHBondContact O-N 3.21Å; W1627-I1630 HydrophobicContact CE3-CB 4.25Å; W1627-I1630 HydrophobicContact CE3-CD1 4.34Å; W1627-I1630 HydrophobicContact CE3-CG2 4.21Å; W1627-I1630 HydrophobicContact CZ3-CG2 4.03Å; W1627-I1630 PolarHBondContact O-N 3.17Å; I1630-S1633 WeakPolarHBondContact CA-OG 3.14Å; I1630-S1633 PolarHBondContact O-OG 3.03Å; I1630-S1633 VanDerWaalsContact O-OG 3.1Å; I1630-H1634 WeakPolarHBondContact O-CB 2.98Å; I1630-H1634 PolarHBondContact O-N 2.82Å
1631Q91.5Very high82.3Confident102 Ų10290.1 Ų90.148%0.47743%0.428SS..Hα-helixtrans-64-42.9176.3-69.3-176.2-46.800112.7W1627 Q1628 Y1629 L1635W1627-Q1631 HydrophobicContact CD2-CG 4.24Å; W1627-Q1631 HydrophobicContact CZ2-CG 4.03Å; W1627-Q1631 WeakPolarHBondContact O-CG 3.44Å; W1627-Q1631 PolarHBondContact O-N 3.19Å; Q1628-Q1631 PolarHBondContact O-N 3.05Å; Y1629-Q1631 VanDerWaalsContact C-N 3.3Å; Y1629-Q1631 PolarHBondContact O-N 3.45Å; Q1631-L1635 PolarHBondContact O-N 3.3Å
1632Q83.9Confident80.8Confident136 Ų13688.9 Ų88.964%0.63642%0.415SS*.Hα-helixtrans-69-42.6179-72.9177.220.600112.9Q1628 Y1629 L1635 H1636Q1628-Q1632 WeakPolarHBondContact O-CG 3.22Å; Q1628-Q1632 PolarHBondContact O-N 2.88Å; Y1629-Q1632 PolarHBondContact O-N 3.19Å; Q1632-L1635 PolarHBondContact O-N 3.06Å; Q1632-H1636 PolarHBondContact O-N 3.13Å
1633S82.3Confident79Confident42 Ų4289.1 Ų89.129%0.29442%0.419SS..Hα-helixtrans-66.8-37.4178.153.10000112.5Y1629 I1630 L1635 H1636 N1637Y1629-S1633 WeakPolarHBondContact O-CB 3.25Å; Y1629-S1633 PolarHBondContact O-N 2.95Å; Y1629-S1633 PolarHBondContact O-OG 3.45Å; I1630-S1633 WeakPolarHBondContact CA-OG 3.14Å; I1630-S1633 PolarHBondContact O-OG 3.03Å; I1630-S1633 VanDerWaalsContact O-OG 3.1Å; S1633-L1635 VanDerWaalsContact C-N 3.35Å; S1633-L1635 PolarHBondContact O-N 3.34Å; S1633-H1636 PolarHBondContact O-N 3.24Å; S1633-N1637 WeakPolarHBondContact O-CB 3.47Å; S1633-N1637 PolarHBondContact O-N 3.06Å
1634H81Confident76.6Confident122 Ų12290.6 Ų90.657%0.56544%0.436SS*.Hα-helixtrans-61.4-41.7170.8-111.6-61.6000112.6I1630 Q1638I1630-H1634 WeakPolarHBondContact O-CB 2.98Å; I1630-H1634 PolarHBondContact O-N 2.82Å; H1634-Q1638 WeakPolarHBondContact O-CB 3.16Å; H1634-Q1638 PolarHBondContact O-N 3.32Å
1635L75.9Confident74.4Confident120 Ų12096 Ų9663%0.62846%0.458SS*.Hα-helixtrans-65.9-41.6178.6-159.176000111.5Q1631 Q1632 S1633 Q1638 Q1639Q1631-L1635 PolarHBondContact O-N 3.3Å; Q1632-L1635 PolarHBondContact O-N 3.06Å; S1633-L1635 VanDerWaalsContact C-N 3.35Å; S1633-L1635 PolarHBondContact O-N 3.34Å; L1635-Q1638 PolarHBondContact O-N 3.18Å; L1635-Q1639 WeakPolarHBondContact O-CB 3.38Å; L1635-Q1639 PolarHBondContact O-N 3.47Å
1636H71.8Confident72.4Confident103 Ų10397 Ų9748%0.47747%0.472SS..Hα-helixtrans-65.4-43.8177.1-167.191.8000112Q1632 S1633 Q1638 Q1639 Q1640Q1632-H1636 PolarHBondContact O-N 3.13Å; S1633-H1636 PolarHBondContact O-N 3.24Å; H1636-Q1638 VanDerWaalsContact C-N 3.35Å; H1636-Q1638 PolarHBondContact O-N 3.28Å; H1636-Q1639 PolarHBondContact O-N 2.89Å; H1636-Q1640 PolarHBondContact CD2-NE2 3.38Å; H1636-Q1640 VanDerWaalsContact CD2-NE2 3.31Å; H1636-Q1640 PolarHBondContact NE2-NE2 3.24Å; H1636-Q1640 PolarHBondContact O-N 2.96Å
1637N74.5Confident69.4Low91 Ų91101.8 Ų101.849%0.48750%0.504SS..Hα-helixtrans-63.2-38.9175.5-77.3-18.1000112.3S1633 Q1639 Q1640 Q1641S1633-N1637 WeakPolarHBondContact O-CB 3.47Å; S1633-N1637 PolarHBondContact O-N 3.06Å; N1637-Q1639 VanDerWaalsContact C-N 3.32Å; N1637-Q1639 PolarHBondContact O-N 3.41Å; N1637-Q1640 PolarHBondContact O-N 2.55Å; N1637-Q1641 WeakPolarHBondContact O-CG 3.21Å; N1637-Q1641 PolarHBondContact O-N 2.85Å
1638Q69Low66.2Low112 Ų112102.7 Ų102.752%0.52353%0.527SS..Hα-helixtrans-65.4-36.4175.2-172167.870.700111.8H1634 L1635 H1636 Q1641 Q1642H1634-Q1638 WeakPolarHBondContact O-CB 3.16Å; H1634-Q1638 PolarHBondContact O-N 3.32Å; L1635-Q1638 PolarHBondContact O-N 3.18Å; H1636-Q1638 VanDerWaalsContact C-N 3.35Å; H1636-Q1638 PolarHBondContact O-N 3.28Å; Q1638-Q1641 PolarHBondContact O-N 3.15Å; Q1638-Q1642 PolarHBondContact O-N 3.01Å
1639Q65.5Low63.3Low121 Ų121103.9 Ų103.957%0.56555%0.545SS*.Hα-helixtrans-70-38.2175.7-162.816554.100112.4L1635 H1636 N1637 Q1642 L1643L1635-Q1639 WeakPolarHBondContact O-CB 3.38Å; L1635-Q1639 PolarHBondContact O-N 3.47Å; H1636-Q1639 PolarHBondContact O-N 2.89Å; N1637-Q1639 VanDerWaalsContact C-N 3.32Å; N1637-Q1639 PolarHBondContact O-N 3.41Å; Q1639-Q1642 PolarHBondContact O-N 2.86Å; Q1639-L1643 WeakPolarHBondContact O-CG 3.12Å; Q1639-L1643 PolarHBondContact O-N 3.24Å
1640Q62.9Low60.4Low108 Ų108104.8 Ų104.851%0.50556%0.563SS.*Hα-helixtrans-65.2-38.7170.4-70.5-167.513.600112.3H1636 N1637 Q1642 L1643 S1644H1636-Q1640 PolarHBondContact CD2-NE2 3.38Å; H1636-Q1640 VanDerWaalsContact CD2-NE2 3.31Å; H1636-Q1640 PolarHBondContact NE2-NE2 3.24Å; H1636-Q1640 PolarHBondContact O-N 2.96Å; N1637-Q1640 PolarHBondContact O-N 2.55Å; Q1640-Q1642 PolarHBondContact O-N 3.06Å; Q1640-L1643 PolarHBondContact O-N 3.15Å; Q1640-S1644 PolarHBondContact O-N 3.01Å; Q1640-S1644 PolarHBondContact O-OG 2.76Å
1641Q57.8Low57.7Low123 Ų123109.8 Ų109.858%0.57560%0.596SS**Hα-helixtrans-62.3-41.4174.8-77.9-175.6-11.500112N1637 Q1638 S1644 Q1645N1637-Q1641 WeakPolarHBondContact O-CG 3.21Å; N1637-Q1641 PolarHBondContact O-N 2.85Å; Q1638-Q1641 PolarHBondContact O-N 3.15Å; Q1641-S1644 WeakPolarHBondContact CA-OG 3.5Å; Q1641-S1644 PolarHBondContact O-N 3.43Å; Q1641-S1644 PolarHBondContact O-OG 2.94Å; Q1641-Q1645 WeakPolarHBondContact O-CG 3.27Å; Q1641-Q1645 PolarHBondContact O-N 3.37Å
1642Q54.8Low54.6Low67 Ų67110.4 Ų110.431%0.31361%0.612SS.*Hα-helixtrans-64.1-41.3174-72.7179.1-20.900112.7Q1638 Q1639 Q1640 S1644 Q1645 M1646Q1638-Q1642 PolarHBondContact O-N 3.01Å; Q1639-Q1642 PolarHBondContact O-N 2.86Å; Q1640-Q1642 PolarHBondContact O-N 3.06Å; Q1642-S1644 PolarHBondContact O-N 3.29Å; Q1642-Q1645 PolarHBondContact O-N 3.43Å; Q1642-M1646 PolarHBondContact O-N 3.42Å
1643L48.5Very low52.1Low117 Ų117111.2 Ų111.261%0.61363%0.626SS**Hα-helixtrans-64.6-37.8175.6-76.6163.6000112.9Q1639 Q1640 S1647Q1639-L1643 WeakPolarHBondContact O-CG 3.12Å; Q1639-L1643 PolarHBondContact O-N 3.24Å; Q1640-L1643 PolarHBondContact O-N 3.15Å; L1643-S1647 PolarHBondContact O-OG 3.2Å
1644S44.6Very low49.7Very low75 Ų75114.3 Ų114.352%0.52465%0.648SS.*Hα-helixtrans-72.1-32.4175.863.80000113.1Q1640 Q1641 Q1642 S1647Q1640-S1644 PolarHBondContact O-N 3.01Å; Q1640-S1644 PolarHBondContact O-OG 2.76Å; Q1641-S1644 WeakPolarHBondContact CA-OG 3.5Å; Q1641-S1644 PolarHBondContact O-N 3.43Å; Q1641-S1644 PolarHBondContact O-OG 2.94Å; Q1642-S1644 PolarHBondContact O-N 3.29Å; S1644-S1647 PolarHBondContact O-N 3.28Å
1645Q45.4Very low47.4Very low157 Ų157115.3 Ų115.373%0.73466%0.657SS**Hα-helixtrans-73-23.8174.9-73-179.812.700113.7Q1641 Q1642 S1647Q1641-Q1645 WeakPolarHBondContact O-CG 3.27Å; Q1641-Q1645 PolarHBondContact O-N 3.37Å; Q1642-Q1645 PolarHBondContact O-N 3.43Å; Q1645-S1647 VanDerWaalsContact C-N 3.27Å
1646M43.7Very low45.7Very low174 Ų174113.8 Ų113.886%0.85765%0.654SS**THydrogen-bonded Turntrans-82-0.9169.6-65.1-148-167.400114Q1642Q1642-M1646 PolarHBondContact O-N 3.42Å
1647S32.4Very low43.9Very low100 Ų100117.7 Ų117.770%0.69967%0.672SS**SBendtrans-115.137.7-172.8-56.50000113L1643 S1644 Q1645L1643-S1647 PolarHBondContact O-OG 3.2Å; S1644-S1647 PolarHBondContact O-N 3.28Å; Q1645-S1647 VanDerWaalsContact C-N 3.27Å
1648G28.4Very low41.5Very low62 Ų62118.8 Ų118.864%0.63969%0.686SS**  trans-14081.6-171.400000115
1649C30.1Very low40.2Very low120 Ų120118.4 Ų118.481%0.81169%0.694SS**  trans-142.674.8170.3-91.20000113
1650T31.3Very low38.5Very low141 Ų141121.8 Ų121.887%0.86571%0.712SS**  trans67.7170.3160.6790000116.7
1651P36.5Very low36.9Very low113 Ų113120.5 Ų120.573%0.73473%0.727SS**  cis-125.8171.4-9.640.6-27.5000113.9
1652S25.4Very low35.7Very low115 Ų115119.3 Ų119.380%0.80474%0.738SS**  172.7140.3129.542.90000113.8
1653T32.4Very low34.6Very low152 Ų152124.4 Ų124.493%0.93376%0.762SS**  trans-158.5148.9144-8.90000107.9
1654S32.8Very low33.6Very low107 Ų107125.8 Ų125.875%0.74877%0.769SS**  trans-106-176-172.157.80000110.6
1655N31.9Very low32.8Very low143 Ų143129.8 Ų129.877%0.76578%0.78SS**  cis-154-152.213.6-15218000111.3
1656P40.5Very low32Very low88 Ų88129.9 Ų129.957%0.57179%0.785SS**  -118.4173.5-113.140.9-24.5000116.3
1657H32.5Very low31.4Very low185 Ų185128.5 Ų128.586%0.85679%0.787SS**  178163.9124.2-103.5-82.8000112.1
1658C25.8Very low31.2Very low114 Ų114135.1 Ų135.177%0.7780%0.798SS**  trans-141172.7179.9-123.90000107.8
1659P40.9Very low31.1Very low105 Ų105137.4 Ų137.468%0.68280%0.804SS**  cis-145.7-172.622.845.9-26.7000117.7
1660M30.3Very low31Very low192 Ų192136.1 Ų136.195%0.94680%0.802SS**  trans65.2124154.6-70.9-67.4-164.900121.1
1661G29.3Very low30.8Very low81 Ų81134.9 Ų134.984%0.83580%0.798SS**  trans165.4131.3166.700000110.6
1662A32.8Very low30.5Very low97 Ų97137.4 Ų137.480%0.80280%0.8SS**  trans-118.8149.7-161.500000116.2
1663Q30.4Very low30.7Very low174 Ų174137.3 Ų137.381%0.81379%0.794SS**  trans63.996.1156.9-70.8-177.6-31.700121.2
1664L28Very low30.9Very low147 Ų147135.2 Ų135.277%0.7778%0.783SS**  72.8145.6117.4-72.7169.6000122.9
1665H28.9Very low30.7Very low159 Ų159138.4 Ų138.474%0.73679%0.787SS**  trans64.475.4157.9-83-76000119.9
1666N28Very low30.5Very low158 Ų158138.7 Ų138.785%0.84579%0.788SS**  174.7135.5113.9-89.9-32.5000111.7
1667T30Very low29.8Very low146 Ų146139.2 Ų139.290%0.89679%0.794SS**  trans-140.598171.535.30000111.8
1668Y29.1Very low29.6Very low239 Ų239138.8 Ų138.894%0.93779%0.792SS**  trans-100.5173.2163.3-117.1-89.1000110.5
1669S26.9Very low29.6Very low109 Ų109138.5 Ų138.576%0.76279%0.791SS**  trans-73145.9-165.6-51.60000117.2
1670A28.1Very low29.1Very low94 Ų94139.7 Ų139.778%0.77780%0.797SS**  trans-3.5137.5150.600000121.7
1671C26.8Very low29Very low114 Ų114135.3 Ų135.377%0.7779%0.791SS**  trans-156.9155.9144.4-97.90000106.5
1672Q29.4Very low29Very low167 Ų167134.9 Ų134.978%0.7879%0.787SS**  cis-159.1158.119.1-117.5153.93900105.6
1673T29.7Very low28.9Very low112 Ų112136.5 Ų136.569%0.68779%0.792SS**  cis-170.4-170.2-6.58.70000106.3
1674P37.7Very low28.8Very low108 Ų108138 Ų13870%0.70179%0.79SS**  cis-129.5151.6-2.220.64.7000117.8
1675Q28.7Very low29.6Very low175 Ų175136.5 Ų136.582%0.81879%0.79SS**  46.4116.7129.4-55.9175.6-11.300122.9
1676N25.9Very low29.7Very low148 Ų148134.6 Ų134.679%0.79178%0.784SS**  35.9119.5106-11411.1000121.3
1677S25.5Very low30.3Very low100 Ų100132 Ų13270%0.69978%0.776SS**  trans72.2147.1133.471.30000122.7
1678Q29Very low30.5Very low175 Ų175133.9 Ų133.982%0.81878%0.775SS**  trans8392.5163.9-55.4-165.44.800121
1679S26.6Very low30.6Very low108 Ų108127.3 Ų127.376%0.75576%0.763SS**  87.6157.6118.179.60000123
1680V29.3Very low30.8Very low130 Ų130131.5 Ų131.579%0.78876%0.762SS**  trans71.194161.8-167.70000120.8
1681A29.3Very low30.9Very low100 Ų100135.9 Ų135.983%0.82676%0.76SS**  49.3138.3126.200000125.4
1682G29.5Very low31.5Very low73 Ų73135.8 Ų135.875%0.75376%0.758SS**  trans96.4150.9152.200000116.7
1683S30.5Very low31.5Very low131 Ų131139.2 Ų139.292%0.91677%0.766SS**  cis-158.4164-13.3-89.50000110.8
1684R28.3Very low31.4Very low204 Ų204139.3 Ų139.377%0.7777%0.771SS**  trans-95.8158.4-176.7-131.3179.7-176.2-169.93.4112.2
1685P44.4Very low30.9Very low116 Ų116143 Ų14375%0.75378%0.779SS**  -138.116181.618.65.5000113.5
1686L30.6Very low31.1Very low120 Ų120141.4 Ų141.463%0.62878%0.781SS**  cis74.5150.646-70.6171.5000115.1
1687P41.4Very low31.4Very low103 Ų103141.5 Ų141.567%0.66978%0.777SS**  cis-138.8176.7-15.834.1-13.4000116.1
1688Q33.3Very low31.7Very low186 Ų186143.6 Ų143.687%0.86978%0.775SS**  167.2146.4116.9-87.4-167.819.400116.5
1689S31.9Very low31.9Very low100 Ų100141.8 Ų141.870%0.69977%0.767SS**  trans69.9105.3155.2-148.60000123.9
1690R30.7Very low32.1Very low197 Ų197144.1 Ų144.174%0.74377%0.766SS**  45.3143.6128-61.1178.6178.5-163.80.4121
1691Y31.1Very low32.3Very low186 Ų186144.8 Ų144.873%0.72976%0.764SS**  cis-155.5169.7-2.8-107.9-31.2000109.3
1692P38.9Very low32.5Very low113 Ų113148.1 Ų148.173%0.73477%0.766SS**  trans-130.3-178.9-13042.9-27000117.4
1693Y28.4Very low32.6Very low238 Ų238148 Ų14893%0.93376%0.764SS**  trans-140.3103.3173.7-150.6-74.4000110.2
1694S28.6Very low32.7Very low114 Ų114149.2 Ų149.280%0.79776%0.761SS**  trans-173.1160165.9570000112.8
1695Q27.7Very low33.5Very low185 Ų185144.3 Ų144.386%0.86476%0.755SS**  trans-93.5-173.2-175.9-64.5177.9-37.400114.5
1696V31.2Very low32.9Very low143 Ų143146.8 Ų146.887%0.86776%0.757SS**  trans96.9161.3161.3-166.20000115
1697Q32.5Very low32.9Very low149 Ų149144.6 Ų144.670%0.69675%0.751SS**  -137.3135.9-122173.7180-1000115
1698Q33.4Very low32.4Very low144 Ų144147.2 Ų147.267%0.67375%0.754SS**  trans69.5157.1160.6-76.5176.221.800117.5
1699Q33.2Very low32.2Very low138 Ų138145.5 Ų145.565%0.64575%0.746SS**  cis-153.3167.512.5-143.9174.978.100113.6
1700Q30.9Very low32Very low157 Ų157146 Ų14673%0.73475%0.75SS**  trans76.4142.2161.5-62.1-172.219.400119.2
1701I32.7Very low31.9Very low144 Ų144145.3 Ų145.374%0.73876%0.755SS**  cis-163.8167-25.9-127.6169.4000110.5
1702I34.2Very low31.8Very low169 Ų169141.2 Ų141.287%0.86775%0.754SS**  trans71.2128.9-176-39.4-173.8000114.6
1703G30.1Very low31.2Very low70 Ų70147.4 Ų147.472%0.72276%0.763SS**  cis-158.5172.11.500000114.4
1704N33.9Very low31Very low157 Ų157140.8 Ų140.884%0.8475%0.751SS**  trans-73.3171.7-173-1150.2000113.7
1705P43.5Very low31Very low102 Ų102141 Ų14166%0.66275%0.753SS**  cis-118.8-168.85.543.8-29.3000112.3
1706Q32.4Very low31.2Very low168 Ų168139.6 Ų139.679%0.78575%0.75SS**  cis-140.2-145.98.3-157.2128.2-17.100112.6
1707S31.2Very low31.4Very low73 Ų73138.9 Ų138.951%0.5175%0.749SS.*  trans-157.6156.5-144.659.30000116.9
1708H31.5Very low31.1Very low158 Ų158136.2 Ų136.273%0.73174%0.743SS**  trans81.7145.8156.9-59.5-46.8000118.6
1709Q29Very low30.9Very low150 Ų150137.5 Ų137.570%0.70175%0.749SS**  cis-151.2168.40.7-132.916651.300113.8
1710S27Very low30.9Very low111 Ų111137.9 Ų137.978%0.77675%0.751SS**  trans-137.3149165.558.60000109.2
1711Q29.6Very low31.3Very low182 Ų182136.4 Ų136.485%0.8575%0.754SS**  trans-156162174.6-84.9-149.9-7.700113.8
1712S29.2Very low31Very low101 Ų101139.5 Ų139.571%0.70676%0.757SS**  trans-145123.2174.958.30000112
1713W24.4Very low30.8Very low242 Ų242140 Ų14092%0.91775%0.753SS**  trans68.2115.2156.2-71.769.4000122.2
1714S25.7Very low30.7Very low99 Ų99145.2 Ų145.269%0.69275%0.751SS**  trans77.3114.8135.166.90000122.8
1715S27Very low30.4Very low118 Ų118145 Ų14583%0.82575%0.745SS**  164156.4112.8-73.20000114.3
1716L33.6Very low29.6Very low156 Ų156143.7 Ų143.782%0.81774%0.743SS**  trans-82.3154.9-176.3-9571.8000113.4
1717P34.8Very low29.4Very low128 Ų128142.9 Ų142.983%0.83174%0.742SS**  -150.9-172.782.935-13.7000116.2
1718T26.9Very low29.3Very low94 Ų94145.1 Ų145.158%0.57775%0.753SS**  cis176.2138.9-47.3-80.90000109.5
1719Q28.5Very low29.7Very low170 Ų170143 Ų14379%0.79475%0.753SS**  trans69.7131.7171.9-72.5164.657.200117
1720Q32.4Very low30.2Very low147 Ų147141.5 Ų141.569%0.68776%0.757SS**  83.2129.854-76-164.613.600114.3
1721P39.2Very low30.2Very low125 Ų125140.6 Ų140.681%0.81275%0.75SS**  -127.9163.277.438.3-28.6000114.3
1722R26.6Very low30.4Very low209 Ų209140.9 Ų140.979%0.78975%0.749SS**  cis96.315027.1-98.8-173.1175-170.20115.9
1723F30.2Very low30.4Very low179 Ų179141.2 Ų141.279%0.78574%0.742SS**  trans90.9139-177.1-73.1-106.1000116.5
1724R28Very low30.7Very low180 Ų180136.8 Ų136.868%0.67973%0.732SS**  cis-178143.8-29.8-125.2-171.9176.9-151.917.8110.2
1725Q27.7Very low31Very low154 Ų154137.8 Ų137.872%0.7273%0.726SS**  trans61.3166.1148.6-70175.1-50.600119.8
1726A26.6Very low31.2Very low74 Ų74140.2 Ų140.261%0.61272%0.722SS**  cis-174.2179.5-35.400000110.4
1727I28.7Very low31.2Very low150 Ų150137.5 Ų137.577%0.76972%0.716SS**  trans73.5115159.5-62152.2000115.2
1728T28.2Very low31.1Very low120 Ų120137.5 Ų137.574%0.73671%0.708SS**  cis80.2157.341.868.80000116.1
1729P40.4Very low31.7Very low113 Ų113138.1 Ų138.173%0.73471%0.713SS**  -111.4-160-58.444-29.6000109.8
1730P40.6Very low31.8Very low120 Ų120135.4 Ų135.478%0.77971%0.712SS**  -131.7-161.650.612.815.8000112.2
1731S26.4Very low31.8Very low91 Ų91135.2 Ų135.264%0.63671%0.711SS**  cis159.7163.6-30.7-68.60000107.5
1732F33.1Very low31.4Very low189 Ų189136.2 Ų136.283%0.82970%0.704SS**  trans69.6149177.1-66.5-97.3000117.4
1733N30.2Very low31.7Very low107 Ų107133.3 Ų133.357%0.57270%0.7SS**  cis-156142.2-33.3-118.49.8000107.4
1734Q29.3Very low31.8Very low149 Ų149132.7 Ų132.770%0.69670%0.703SS**  56147.787.1-58.3-164.718.800114.8
1735Q31.8Very low31.9Very low121 Ų121127 Ų12757%0.56570%0.7SS**  cis-160.8160.730.9-140.415546.600109.5
1736F32.8Very low32.3Very low168 Ų168129.5 Ų129.574%0.73771%0.709SS**  cis-110.6-146.96-69.4-104.1000109.2I1738F1736-I1738 HydrophobicContact CD1-CD1 4.35Å
1737S32.1Very low33.1Very low100 Ų100131.5 Ų131.570%0.69972%0.715SS**  cis-156.5149.2-3.9-1500000107.8
1738I33.4Very low33.1Very low128 Ų128132.4 Ų132.466%0.65672%0.721SS**  cis80.912821.3-53.9168.2000112.9F1736F1736-I1738 HydrophobicContact CD1-CD1 4.35Å
1739P39.8Very low33.2Very low107 Ų107131.2 Ų131.270%0.69572%0.718SS**  cis-128.5156.4-237.1-20000118.3
1740C30.9Very low32.5Very low112 Ų112132 Ų13276%0.75772%0.72SS**  trans69147.1148.4-70.40000121.3
1741H30.8Very low31.8Very low144 Ų144132 Ų13267%0.66772%0.719SS**  cis-148.7145.14-135.3-86.3000111.9
1742Q31.9Very low31.9Very low145 Ų145135.3 Ų135.368%0.67873%0.727SS**  trans13.4158.4150.3-68.9174.2-15.700123.4
1743Q32.5Very low32Very low148 Ų148131.5 Ų131.569%0.69272%0.724SS**  cis-175.7161.7-15.6-111.6175.1-20.800110.4
1744I31.9Very low32Very low166 Ų166131.6 Ų131.685%0.85173%0.731SS**  trans68.7162.5156.6-69.9167.3000115.4
1745G30.1Very low32Very low61 Ų61129.6 Ų129.663%0.62973%0.729SS**  cis-169.1179.5-0.600000113.9
1746K36.5Very low31.8Very low207 Ų207132.3 Ų132.390%0.974%0.741SS**  trans-159.1-179.3-179.5-50.1-175.8-176.7179.90109.2
1747P44.4Very low31.6Very low115 Ų115128.6 Ų128.675%0.74774%0.742SS**  cis-139.4-168.7-4.643.6-24.3000116.5
1748L28.2Very low31.5Very low169 Ų169128.5 Ų128.589%0.88574%0.741SS**  trans73.1-167.2156.2-115.478.9000120.9
1749S29Very low31.1Very low95 Ų95130.1 Ų130.166%0.66475%0.751SS**  trans-104.5157.5-143.2-50.50000118.4
1750T27.2Very low30.5Very low129 Ų129130.5 Ų130.579%0.79176%0.756SS**  trans68.9131.3151.130.30000121.6
1751T25.7Very low30.8Very low122 Ų122130.1 Ų130.175%0.74875%0.753SS**  trans69132.7156.9260000121.2
1752I27.3Very low30.7Very low159 Ų159132.1 Ų132.182%0.81576%0.762SS**  trans69.2123.5149.8-62.5164.3000117.7
1753S35.3Very low30.5Very low109 Ų109135.4 Ų135.476%0.76277%0.769SS**  trans-64.6155.4172.4-37.40000112.4
1754P30.7Very low30.6Very low109 Ų109137.2 Ų137.271%0.70877%0.77SS**  -150.9171.989.440.9-24.3000116.8
1755T28.8Very low30.5Very low108 Ų108136.9 Ų136.966%0.66377%0.767SS**  trans38.4113.8149.2520000120.2
1756Q27.6Very low30.6Very low177 Ų177139.8 Ų139.883%0.82777%0.773SS**  79.8137.966.6-77.7-176.7-14.700115.9
1757A29.1Very low30.3Very low91 Ų91138.4 Ų138.475%0.75277%0.769SS**  trans70.1156.5140.900000119.2
1758S29.5Very low29.7Very low97 Ų97139 Ų13968%0.67877%0.772SS**  cis-172.6158.3-2052.10000110.4
1759N26.4Very low29.8Very low162 Ų162137.9 Ų137.987%0.86677%0.766SS**SBendtrans-145.6126.8148.5-90.5-41.2000106
1760S27.4Very low29.9Very low115 Ų115141.7 Ų141.780%0.80478%0.776SS**  cis-137.2169.738.646.50000115.3
1761P36.1Very low30.4Very low105 Ų105141 Ų14168%0.68277%0.774SS**  trans-133.7163.8-162.841.9-25.7000117.4
1762Q29.9Very low30.6Very low185 Ų185143.5 Ų143.586%0.86478%0.777SS**  trans171.1119.6146.9-94.6154.17.600108.2
1763R27.7Very low31.1Very low215 Ų215141 Ų14181%0.81177%0.771SS**  50.411377.9-75.6-168.3175.9-174.40.7114.9
1764Y33.3Very low30.7Very low186 Ų186143.4 Ų143.473%0.72977%0.772SS**  175.3129.3106.7-108.2-88.6000115.2
1765M30.3Very low30.6Very low158 Ų158143.6 Ų143.678%0.77877%0.771SS**  trans54.7165.9142.6-82.2179.217500125.9
1766T33.2Very low30.6Very low123 Ų123144.6 Ų144.676%0.75577%0.773SS**  trans60.5119.6171.243.60000117.2
1767Q28.9Very low30.8Very low177 Ų177144.1 Ų144.183%0.82777%0.77SS**  cis115.2106.330.2-94.9-173.2-500109.7
1768T32.4Very low31.1Very low129 Ų129147 Ų14779%0.79177%0.771SS**  -176.6139.5126.519.90000111.8
1769N29.4Very low31.5Very low145 Ų145147.6 Ų147.678%0.77577%0.773SS**  trans41.1115.7156.3-50.7-14.4000119.5
1770M31Very low31.8Very low174 Ų174146.8 Ų146.886%0.85777%0.767SS**  cis60.914444.3-61.1-73.3-17800115.5
1771P39Very low32.1Very low116 Ų116146.2 Ų146.275%0.75376%0.764SS**  cis-140.3-154.5-35.641-22000113.1
1772Q30.2Very low32Very low174 Ų174147.3 Ų147.381%0.81377%0.771SS**  trans-47.1160.6168.2-89.3-158.717.600115.1
1773P36.6Very low32.5Very low107 Ų107144.2 Ų144.270%0.69577%0.766SS**  -160.2-172.251.647.6-26.1000120.7
1774M26.5Very low32.6Very low158 Ų158138.4 Ų138.478%0.77876%0.764SS**  trans75.6132.5148.7-77.3-61.5170.900124.4
1775T28.2Very low32.5Very low113 Ų113134.1 Ų134.169%0.69376%0.762SS**  trans76.8131.814349.60000124.7
1776N29.7Very low32.5Very low130 Ų130133.8 Ų133.870%0.69576%0.763SS**  trans93.2117.9142.8-70.6-16.1000123.1
1777Q32.9Very low32.4Very low167 Ų167136.1 Ų136.178%0.7877%0.769SS**  trans71.4121.5152.1-59.8170.942.700116.9
1778I34Very low32.5Very low150 Ų150132.3 Ų132.377%0.76976%0.762SS**  cis74.6132.229.6-49.8170.6000113
1779P37.2Very low32.3Very low110 Ų110137 Ų13771%0.71477%0.765SS**  cis-101.6-146-9.420.73.1000110
1780I34.6Very low32.3Very low145 Ų145135.8 Ų135.874%0.74477%0.767SS**  cis-142.3111.44.5-62.3170.5000105.9
1781S32.1Very low32.4Very low104 Ų104131.3 Ų131.373%0.72776%0.757SS**  74.6131.393.5-49.40000117.2
1782P34.4Very low32Very low128 Ų128132.9 Ų132.983%0.83176%0.759SS**  trans-139-130.9-142.545.7-21.1000113.1
1783P40.9Very low32.1Very low119 Ų119130.9 Ų130.977%0.77376%0.759SS**  trans-119.6-164.7-149.132.7-6.4000114.4
1784A29.4Very low32Very low93 Ų93129.6 Ų129.677%0.76976%0.758SS**  trans-64.6157.216500000111.2
1785S32.5Very low32.2Very low97 Ų97130.5 Ų130.568%0.67876%0.762SS**  cis-159.5175.226.356.80000113.6
1786N28.5Very low32.7Very low150 Ų150129.7 Ų129.780%0.80276%0.759SS**  trans72.5118.5163.6-64-33000120.2
1787I33Very low32.6Very low172 Ų172132.8 Ų132.888%0.88277%0.769SS**  -164.4162.4124.2-101.8160.7000109.8
1788S29.9Very low32.5Very low97 Ų97133.7 Ų133.768%0.67878%0.776SS**  trans-83.3176.8-17065.50000114.6
1789R28.3Very low32.3Very low228 Ų228133.1 Ų133.186%0.8678%0.779SS**  cis-166.9175.58.4-140.3166.5-165.4-179.54.6110.5
1790C29.5Very low31.9Very low120 Ų120132.5 Ų132.581%0.81178%0.777SS**  trans73.3147.7164.4-60.70000118
1791A32.1Very low31.6Very low79 Ų79133.9 Ų133.965%0.65379%0.785SS**  cis-164.3156.6-19.700000111
1792N30.7Very low32Very low149 Ų149134.2 Ų134.280%0.79779%0.785SS**  trans65.3141166.4-59.2-11.7000116.6
1793T33.4Very low31.7Very low132 Ų132139.2 Ų139.281%0.8179%0.787SS**  cis-168.2160.4-4.816.70000107.4
1794A33.9Very low31.1Very low81 Ų81138.5 Ų138.567%0.66978%0.784SS**  cis-162.1140.4-2.600000113
1795M30.4Very low31.1Very low176 Ų176139.7 Ų139.787%0.86778%0.782SS**  trans78.4149.5135.3-66-77.5116.100122.6
1796P39.3Very low30.9Very low97 Ų97142.2 Ų142.263%0.6379%0.788SS**  trans-148.3178.6-142.243.8-22000119.1
1797Q28.3Very low31Very low194 Ų194139.4 Ų139.491%0.90778%0.78SS**  trans60.8170.8146.1-81.3-173.3-7.100121.6
1798M30.4Very low30.6Very low186 Ų186139 Ų13992%0.91678%0.778SS**  trans-96.8157.1-164.6-56174.9175.600113.6
1799V28.9Very low30.4Very low139 Ų139139.8 Ų139.884%0.84278%0.784SS**  trans-173.5166.7132.5134.90000111
1800S30.1Very low30.8Very low97 Ų97137.4 Ų137.468%0.67879%0.785SS**  trans82.784.716465.30000121.5
1801L27.7Very low30.9Very low174 Ų174137.5 Ų137.591%0.91178%0.784SS**  64.2156.3117.6-67.5167.5000122.8
1802P40.5Very low30.7Very low111 Ų111138.8 Ų138.872%0.72179%0.788SS**  trans-126172.8-165.143.9-30.4000115.9
1803R27.7Very low30.6Very low233 Ų233140.1 Ų140.188%0.87979%0.792SS**  trans-169150.1140.8-121.3-179176.3-179.5-1.5114.9
1804C28.5Very low30.4Very low104 Ų104136.7 Ų136.770%0.70378%0.782SS**  trans64.7156.5153.6-64.20000118.1
1805T29.5Very low30.1Very low117 Ų117140.4 Ų140.472%0.71879%0.79SS**  cis-165.5166.3-28.426.20000105.1
1806N29.4Very low30.1Very low151 Ų151137.4 Ų137.481%0.80778%0.782SS**  cis-153.5-173.515.4-133.80.9000111.1
1807S28.8Very low29.7Very low91 Ų91139.7 Ų139.764%0.63679%0.789SS**  trans-111.3155.2-174.653.30000115.6
1808L26.5Very low29.6Very low162 Ų162135.4 Ų135.485%0.84878%0.78SS**  trans65.6155.5143.5-75.9166.3000123
1809S25.6Very low29.6Very low115 Ų115131.8 Ų131.880%0.80478%0.779SS**  trans79.3137.9159.373.40000119.6
1810M34.9Very low29.5Very low178 Ų178128.6 Ų128.688%0.87778%0.775SS**  trans-100.6158.8161-62.5-164.878.300109.7
1811P32.7Very low29.4Very low122 Ų122133.1 Ų133.179%0.79279%0.787SS**  trans-126.1174.3133.537.1-29.8000112.4
1812S28.1Very low29.3Very low105 Ų105130.1 Ų130.173%0.73478%0.781SS**  trans-142.2153179.3176.40000110
1813M29.3Very low29.2Very low177 Ų177130 Ų13087%0.87278%0.78SS**  trans152.9149.3136.4-80.7-70.5-93.800113.7
1814G27.2Very low29.4Very low60 Ų60125.9 Ų125.962%0.61978%0.776SS**  trans107.297.5174.200000113.3
1815L28.8Very low29.4Very low159 Ų159131.1 Ų131.183%0.83278%0.781SS**  65.6134.674-62.6167.6000112.7
1816V30.9Very low29.3Very low114 Ų114130.2 Ų130.269%0.69179%0.785SS**  cis-150.4165.926.8-135.60000113.2
1817N29.4Very low29.2Very low145 Ų145128.8 Ų128.878%0.77578%0.781SS**  trans69.3151.9155.3-67.9-12.6000120.8
1818S27.1Very low29.2Very low104 Ų104133.5 Ų133.573%0.72779%0.794SS**  cis-173.9155.8-41.744.30000111.1
1819A30.4Very low29.3Very low109 Ų109131.4 Ų131.490%0.90179%0.79SS**  trans66.5149.4176.500000117.4
1820G26.6Very low29.4Very low72 Ų72130.8 Ų130.874%0.74279%0.785SS**  cis142.5118.4-15.500000114.8
1821M28.5Very low29.2Very low192 Ų192128.7 Ų128.795%0.94679%0.785SS**  trans-174.4153.8156.9-116.1179.3157.800113.9
1822S24.3Very low28.9Very low112 Ų112131.4 Ų131.478%0.78379%0.787SS**  trans-149.6176.7174.5-70.30000108.1
1823P40.2Very low28.9Very low107 Ų107137.4 Ų137.470%0.69580%0.795SS**  cis-128.2177.2-48.138.5-24.6000112.2
1824N29.9Very low28.8Very low148 Ų148134.7 Ų134.779%0.79179%0.793SS**  trans152164.7148.4-87.3-56.8000111.9
1825R28.5Very low28.6Very low214 Ų214137.3 Ų137.381%0.80880%0.802SS**  cis-179.7110.5-39.6175.9-179.5-176-171.41.8110.7
1826A29.5Very low28.4Very low97 Ų97136 Ų13680%0.80280%0.801SS**  trans-166.7125158.300000107.4
1827V27.2Very low28.3Very low121 Ų121139.4 Ų139.473%0.73381%0.811SS**  cis85.993.140.7-178.20000113.7
1828Q27.2Very low28Very low191 Ų191140.3 Ų140.389%0.89382%0.815SS**  -154.5153.9124.3-83.1-128.5-15.300109.6
1829P29.4Very low27.9Very low118 Ų118140.1 Ų140.177%0.76681%0.814SS**  trans-110.6147.2-169.938.7-30.2000115.1
1830S26.7Very low27.7Very low101 Ų101142.8 Ų142.871%0.70681%0.807SS**  trans-90.9147.9164.1-56.80000111.1H1832S1830-H1832 PolarHBondContact O-N 3.44Å; S1830-H1832 VanDerWaalsContact O-N 3.14Å
1831P30.7Very low27.6Very low134 Ų134145.9 Ų145.987%0.8781%0.806SS**  trans-74.5104.8-17529.3-34.6000112.3
1832H28Very low27.4Very low180 Ų180145.4 Ų145.483%0.83381%0.807SS**  trans-77.3137.5169.5-88.4-97.7000111.8S1830 S1834S1830-H1832 PolarHBondContact O-N 3.44Å; S1830-H1832 VanDerWaalsContact O-N 3.14Å; H1832-S1834 PolarHBondContact O-N 3.26Å
1833Y27Very low27.6Very low230 Ų230143.3 Ų143.390%0.90280%0.803SS**  trans-56.3131.9160.4-89.4-109.1000109.9S1835Y1833-S1835 PolarHBondContact O-N 2.82Å; Y1833-S1835 VanDerWaalsContact O-N 3.1Å
1834S27.2Very low27.3Very low120 Ų120145 Ų14584%0.83981%0.814SS**  trans-73.7100.8-175.555.60000112.1H1832H1832-S1834 PolarHBondContact O-N 3.26Å
1835S23.3Very low27.2Very low115 Ų115141.3 Ų141.380%0.80481%0.811SS**  trans-108.897.8164.6-173.40000109.5Y1833Y1833-S1835 PolarHBondContact O-N 2.82Å; Y1833-S1835 VanDerWaalsContact O-N 3.1Å
1836V24.8Very low27.2Very low133 Ų133140.6 Ų140.681%0.80682%0.817SS**  trans-138.189.9174.8-176.60000109.5
1837M27.8Very low27.1Very low184 Ų184142.8 Ų142.891%0.90682%0.82SS**  trans-160.5118.1147.5-97.7-53.9170.200107.4
1838L23.6Very low27.3Very low165 Ų165141.2 Ų141.286%0.86482%0.82SS**  trans-142.791.1-172.7-163168.1000110.6
1839S25.2Very low27.6Very low100 Ų100139.5 Ų139.570%0.69982%0.817SS**  trans-169.8138.8154-910000112.5
1840Q25.2Very low27.4Very low164 Ų164142 Ų14277%0.76682%0.823SS**  trans52.9101.5155.4-57.5179.722.900118.8
1841L25.4Very low27.8Very low137 Ų137143.6 Ų143.672%0.71783%0.828SS**  -169.3108.3113.9-103.4166.2000110.7
1842L24.6Very low27.7Very low182 Ų182144 Ų14495%0.95382%0.823SS**  trans-107.3133.5162.3-82.4171.9000108.8
1843G28.8Very low27.8Very low69 Ų69142 Ų14271%0.71182%0.824SS**  trans-143.6126.5171.300000107.8
1844P32.5Very low28.1Very low143 Ų143136.4 Ų136.493%0.92982%0.816SS**  trans-93.9154.5-148.934.8-37.6000115.4
1845G28.2Very low28.1Very low70 Ų70135.7 Ų135.772%0.72281%0.811SS**  trans-166.1102.717100000114.1
1846Q29.2Very low28.5Very low199 Ų199135.3 Ų135.393%0.9381%0.808SS**  trans68.7107.3159-58.4179-8.900119.5
1847T26.6Very low28.6Very low142 Ų142135.8 Ų135.887%0.87181%0.811SS**  trans-139.2159147.8500000108.6
1848A31.8Very low28.7Very low89 Ų89131.4 Ų131.474%0.73680%0.798SS**  trans65.9140.6-173.200000115.5
1849N33.6Very low28.9Very low155 Ų155132 Ų13283%0.82980%0.797SS**  cis-140.5160.74.8-97.7-33000113.2
1850L24.9Very low29Very low170 Ų170138.1 Ų138.189%0.8981%0.806SS**  trans-109.9124.3167.3-87.7162.1000109.5
1851V34.6Very low29.6Very low134 Ų134135 Ų13581%0.81280%0.8SS**  trans-147148.1159.5-166.60000109.1
1852N29.8Very low29.9Very low144 Ų144136.1 Ų136.177%0.7781%0.807SS**  trans-68.7166.8171.5-55.5-52.5000110.5
1853T29.6Very low30Very low138 Ų138135.4 Ų135.485%0.84780%0.8SS**  -167.2174.859.424.70000111.5
1854P33.9Very low30.6Very low112 Ų112137 Ų13773%0.72780%0.799SS**  trans-115.1177.9-15544-37.3000117.7
1855S27.5Very low30.6Very low105 Ų105136.5 Ų136.573%0.73479%0.788SS**  trans83.6113.4147.8-60.20000122.6
1856S30.7Very low30.7Very low106 Ų106141.2 Ų141.274%0.74179%0.788SS**  75108.2127.765.30000125
1857V28.3Very low30.7Very low143 Ų143138 Ų13887%0.86777%0.774SS**  75.8145.8121.9177.40000121
1858S27.9Very low30.9Very low92 Ų92138.3 Ų138.364%0.64377%0.765SS**  trans78.4139.5169.1166.60000116.6
1859E28.9Very low30.7Very low179 Ų179141 Ų14184%0.83677%0.766SS**  cis-158.4174.1-15.4-113.8155.7142.300111.3
1860Y26.4Very low30.5Very low227 Ų227139 Ų13989%0.8976%0.759SS**  trans-93.1179.7172.6-81.8-86.1000111.3
1861P38.8Very low30.7Very low99 Ų99140.4 Ų140.464%0.64375%0.753SS**  cis-133168.1-40.936.4-21.3000113.8
1862N30.9Very low30.4Very low160 Ų160139.1 Ų139.186%0.85674%0.738SS**  trans161.5161.8130.7-90.8-59.5000115.4
1863M27.8Very low30.4Very low167 Ų167138.3 Ų138.382%0.82373%0.73SS**  trans-102.6177.7170.4-79.3-147.991.900110.2
1864P41.3Very low30.4Very low104 Ų104139.7 Ų139.768%0.67572%0.724SS**  cis-151.7173.423.745-24000121.3
1865N31.8Very low30.3Very low132 Ų132140.6 Ų140.671%0.70672%0.721SS**  trans75136.5139.7-96.9-34.6000124.6
1866K30.4Very low30.8Very low168 Ų168140.4 Ų140.473%0.7372%0.718SS**  trans70.4150.9144.3-73.6-169.2175.3-174.60120.2
1867Q29.1Very low30.8Very low133 Ų133140.4 Ų140.462%0.62172%0.717SS**  cis-169.5152.2-28.2-132177.7-38.500110.3
1868H30.3Very low30.9Very low148 Ų148139.6 Ų139.669%0.68571%0.713SS**  trans62.5125.3168.3-73-86.1000118.7
1869L27.9Very low31Very low145 Ų145140.8 Ų140.876%0.75972%0.716SS**  84.8129.672.9-135.783.4000112.2
1870V29.3Very low31Very low114 Ų114140 Ų14069%0.69171%0.711SS**  -17812694147.50000112
1871R29.3Very low31.1Very low199 Ų199135.4 Ų135.475%0.75170%0.697SS**  trans56.8160.2139.7-64.4176.2145.1-152.98.5121.4
1872Q29.4Very low30.7Very low106 Ų106137 Ų13750%0.49570%0.696SS.*  cis-160.1148.9-6-118.7167-61.500112.3
1873E29.1Very low30.8Very low128 Ų128137.4 Ų137.460%0.59869%0.69SS**  trans50.4168.1146.7-61.9145.3-171.400121.1
1874F30Very low30.9Very low166 Ų166137 Ų13773%0.72869%0.69SS**  cis-126.4148.7-0.5-87.8-97.7000108.5
1875I30.6Very low30.3Very low132 Ų132143.3 Ų143.368%0.67772%0.718SS**  7713253.5-75.7169.7000113.9
1876P39Very low30.3Very low101 Ų101143.9 Ų143.966%0.65672%0.719SS**  cis-145.3-170.4-33.844.9-26.2000114.6
1877S29.5Very low30.2Very low105 Ų105142.6 Ų142.673%0.73472%0.718SS**  trans63.8165.7146-63.30000120.7
1878T31.5Very low30.3Very low127 Ų127143.1 Ų143.178%0.77972%0.724SS**  cis-170.1175.9-25.539.50000106.8
1879V30.4Very low30.3Very low117 Ų117142.8 Ų142.871%0.70973%0.726SS**  cis-159.4156.75.4101.40000111.8
1880F28.1Very low30.5Very low163 Ų163142.7 Ų142.772%0.71572%0.724SS**  trans64.9123.6153.2-87.3-151.1000126.8
1881Q29.3Very low30.5Very low129 Ų129144.6 Ų144.660%0.60373%0.726SS**  82.3130.5120.4-77.7-1682.800125.4
1882Q30.9Very low30.6Very low133 Ų133140.7 Ų140.762%0.62172%0.724SS**  trans65.4141.3138.2-67.6-167.481.200118.7
1883K31Very low30.7Very low168 Ų168143.4 Ų143.473%0.7374%0.742SS**  cis-165175-11.5-128.2178.1-168.4159.10108.4
1884L31.2Very low30.9Very low158 Ų158144.7 Ų144.783%0.82775%0.754SS**  trans69.286.2168.3-61.4164.8000117.1
1885N29.1Very low31Very low237 Ų237142.7 Ų142.7100%1.26776%0.756SS**  -154.4098.4-100-15.4000109.9

Retrieved 1,885 of 1,885 residues in 2106.1 ms (Link to these results)

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