A0A5K4F7K8_SCHMA Loading...

Par3_HAL_N_term domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F7K8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,828 aa.

>A0A5K4F7K8_SCHMA|A0A5K4F7K8
MKVTVCFDDVKVVVPCGNGSILIRELAEMALLRFQKSTSSLLHTKCCIDQNITSCTGSQTKSPEKRKQVNYNLEQQQQQHSQIISKGLDQSNDDSHLKSDNRKNVSWKLNIDSDYEVDSLTLARDGGILDWDDRVADVLDDRELLIVNFRKKTSLASSSVAPITVTIPKELKDSSFDHPKRLQSDFSSSSNINDSSLNQVKFNYPFSNIDNDKFERNQMISSSMNKHITTIPICSFLCNQTSLNISSLTPSSSSSSLTSCSPSMTGRIICDTGVTYVQLPYPQCQEQQTFPILSSIASIETSLPSYSQPPKPPHRHPVLSMLSERICSEGESCDCFLLRKNDISSKQAILTNDNEFRMNLTNHCGLEYELYSTQTPAGFRPPTNTSSIITKPTFNTKQTSVSITSPLVHRLNRPAPAVPPALHHQYHHCGTSSLLQTSLSLPPLAQPSIVNATEKINRSLVMNNLQQMNLSKLKTITNNNDVHNENYKENNINLNRNQYHISGQIHVNQSDGNVTSYHDASSLNASNLPGSYLSQSVIDQSDYVNIPQSKLNNDQISPNNNNSLTLTTNALPTYMILPSSVSSLNDYLLPIPNSLPTSILNKTDISIITNINNDDLLMDTSFLSTVPEEDYDIGDITSSNKTTPQQSPCKRVYLMKPLNNNLLESNQNNQNNTEGIHDIVHHSSPKSLSPVTILQTAQSLHNKETELNSNSSGQIHSDENVELQPLSPSSSPLLSSSKLSQISLSQSQEISDSYCARPNRKPKRYRNSRAPAPPTPTTTIMTTVTNSPTTSLPLSPSMNQSVIEPPPPPRRSMRNNPDTPHTSDSDMDDPDYKNLGKSRQIHQVSDKSSSSPNSMNKEEELKDDNPNCTSRINHLYQNRKQYHSNDLNKSMTSIQTTIAPSHLEQNQNITCICSYCNEIKQNDQIQQSNYNKSIIRKPTPPKRSPKTALTSLNTSSQSEERENHKVQMNSIQNSNQLANVMDPISGEVGVICNHKIGDDCDNEDSKEKAHTTMTTTGSGSHSSHEGSEQNEEKQYPMYDSNNNSNNNIKQSDLIMPNNIGQDNGAIACCVCNSLHQIDAEDEILHMTELLSKRRESEARRQLLLAEMEVGIERDDRLRAAANAMALAVSPMTSDIACNIDKSGLSSVSNCIHYNYCVRHHHHHHDHQQQIHSNNVYNVQQHIALNPPHLHSIDHRNMDNELIPPITCCCTSDCIREEDKLITLRKSSSGLGFSLTTKLIPKSISNTTINESLFAVYVKNILPDGSAIKDGQLRVGDRLIQIDNLDVIGKSQAQIVAILRIKPVGSIVNLLVRRQVHICQLHTQDCLTCQLLNSTITSSSSSSSSSTYQSPDVLNTRNLKCCDLTLPHGKLPSNYSWIDTRKCSSPPLQMTLYYDGLTNLERVFHPNYPLYPDVILLRLHIPLIPINEENIDNPKNCLNSSNNTTNSNSPLTTTSLRQMRLGVSVRESNSSRASKLNELSQNTIKLRTNEDRMNQITSFTDSYIADSIYGGVIVKCIIEGGAAHKDGRLQIGDELLEINGVVLVNANNPLSLLRSVLRKLSNTTVNDNKNCDDDNNMITTSTSVTDRTTTTTTTTAYTSTVTTDTTTITTSTTTPSPTKTNDQNTTSKSTFDKVDSMEMLDIIQPLVVDLLIARLTRHRRSASGHTLASNSEFSSETSTSSTVLTVTPKFLPPVNNKTSQESSYTSQEQSTDHHHGNHQHHQHRHHHRHHRNLSQLQQKCYCSNPLTTLSSLSSSPSSITTNPTESESHVTTININDIQNMNNNDDKNNETPRIKSEIHSVKVEQEDNVIDDDIITTKTTLGGDCAPLK
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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
1M87.9Confident93Very high33 Ų3362.2 Ų62.216%0.16331%0.312CS..  0117.50-61.6-166.584.800114.2C16 G17 G19 V135 A136 L139 D141M1-C16 HydrophobicContact CB-CB 3.84Å; M1-C16 PolarHBondContact O-N 3.21Å; M1-G17 PolarHBondContact N-O 3.41Å; M1-G19 WeakPolarHBondContact SD-CA 3Å; M1-V135 HydrophobicContact CE-CG1 3.49Å; M1-V135 VanDerWaalsContact CE-CG1 3.49Å; M1-V135 HydrophobicContact SD-CG1 3.84Å; M1-A136 HydrophobicContact SD-CB 3.99Å; M1-L139 HydrophobicContact CE-CB 4.14Å; M1-L139 WeakPolarHBondContact CE-O 3.43Å; M1-D141 WeakPolarHBondContact CA-OD1 3.18Å; M1-D141 WeakPolarHBondContact CA-OD2 3.37Å; M1-D141 WeakPolarHBondContact CG-OD1 3.32Å; M1-D141 PolarHBondContact N-OD1 2.8Å; M1-D141 PolarHBondContact N-OD2 3.16Å
2K91.6Very high93.2Very high137 Ų13757.8 Ų57.860%0.59629%0.291SS*.EExtended strand (participates in β ladder)trans-126129.6155-66.3175.8-177.6173.20107.7V13 V14 D141K2-V13 HydrophobicContact CB-CG1 4.21Å; K2-V14 WeakPolarHBondContact CA-O 3.49Å; K2-D141 PolarHBondContact N-OD2 3.48Å; K2-D141 CarbonylContact O-C 3.59Å
3V93.7Very high93.3Very high0 Ų058.8 Ų58.80%030%0.302CS..EExtended strand (participates in β ladder)trans-111.5143.9-179.5178.20000109V5 V14 L26 V135 L139 L145V3-V5 HydrophobicContact CG1-CG2 4.22Å; V3-V14 PolarHBondContact N-O 3.47Å; V3-V14 PolarHBondContact O-N 3.2Å; V3-L26 HydrophobicContact CB-CD1 4.18Å; V3-L26 HydrophobicContact CG1-CD2 4.42Å; V3-L26 HydrophobicContact CG2-CD1 4.48Å; V3-V135 HydrophobicContact CG2-CG1 4.18Å; V3-L139 HydrophobicContact CG1-CD1 4.34Å; V3-L139 HydrophobicContact CG2-CD1 4.29Å; V3-L145 HydrophobicContact CG1-CD1 3.86Å; V3-L145 HydrophobicContact CG1-CG 3.95Å
4T95.6Very high93.4Very high34 Ų3454.6 Ų54.621%0.20928%0.281CS..EExtended strand (participates in β ladder)trans-101.9126.7174.4-54.60000109.4K11 E143 L144 L145T4-K11 HydrophobicContact CG2-CB 4.22Å; T4-E143 PolarHBondContact N-O 2.77Å; T4-L144 HydrophobicContact CG2-CD1 3.84Å; T4-L144 HydrophobicContact CG2-CG 4.49Å; T4-L144 CarbonylContact O-C 3.54Å; T4-L144 WeakPolarHBondContact O-CA 3.49Å; T4-L145 PolarHBondContact O-N 3.27Å
5V96.2Very high93.3Very high0 Ų054.9 Ų54.90%029%0.287CS..EExtended strand (participates in β ladder)trans-120.3122.8-177.7-172.30000109.1V3 F7 V12 V14 A30 L120 L145 V147V3-V5 HydrophobicContact CG1-CG2 4.22Å; V5-F7 HydrophobicContact CB-CE2 4.36Å; V5-F7 HydrophobicContact CG1-CD2 4.36Å; V5-F7 HydrophobicContact CG1-CE2 3.8Å; V5-F7 HydrophobicContact CG1-CZ 4.31Å; V5-V12 PolarHBondContact N-O 3.34Å; V5-V12 WeakPolarHBondContact O-CA 3.1Å; V5-V12 WeakPolarHBondContact O-CB 2.67Å; V5-V12 PolarHBondContact O-N 2.76Å; V5-V14 HydrophobicContact CG2-CG2 4.05Å; V5-A30 HydrophobicContact CB-CB 3.99Å; V5-A30 HydrophobicContact CG1-CB 3.89Å; V5-A30 HydrophobicContact CG2-CB 4.01Å; V5-L120 HydrophobicContact CG1-CD2 3.9Å; V5-L145 HydrophobicContact CG1-CB 4.49Å; V5-L145 HydrophobicContact CG2-CB 4.47Å; V5-L145 HydrophobicContact CG2-CD1 4.46Å; V5-V147 HydrophobicContact CG1-CB 4.45Å; V5-V147 HydrophobicContact CG1-CG2 3.32Å
6C95.5Very high93.3Very high9 Ų951.8 Ų51.86%0.06127%0.271CS..EExtended strand (participates in β ladder)trans-97.6125.5-179.5-59.40000110.4V10 L145 V147C6-V10 WeakPolarHBondContact CA-O 3.23Å; C6-L145 WeakPolarHBondContact CB-O 3.23Å; C6-L145 PolarHBondContact N-O 3.35Å; C6-V147 PolarHBondContact O-N 3.19Å
7F95.1Very high93.2Very high1 Ų152.1 Ų52.10%0.00429%0.29CS..EExtended strand (participates in β ladder)trans-111.399.2168.2-66-100.7000106.5V5 D9 V10 V12 A30 L31 F34 V117 V147 F149V5-F7 HydrophobicContact CB-CE2 4.36Å; V5-F7 HydrophobicContact CG1-CD2 4.36Å; V5-F7 HydrophobicContact CG1-CE2 3.8Å; V5-F7 HydrophobicContact CG1-CZ 4.31Å; F7-D9 PolarHBondContact O-N 2.69Å; F7-V10 PolarHBondContact N-O 3.28Å; F7-V10 WeakPolarHBondContact O-CB 2.98Å; F7-V10 PolarHBondContact O-N 2.78Å; F7-V12 HydrophobicContact CD2-CG2 3.9Å; F7-V12 HydrophobicContact CE2-CB 4.48Å; F7-V12 HydrophobicContact CE2-CG2 4.24Å; F7-A30 HydrophobicContact CE2-CB 3.79Å; F7-A30 HydrophobicContact CZ-CB 3.76Å; F7-L31 HydrophobicContact CD1-CD1 4.5Å; F7-L31 HydrophobicContact CE1-CD1 3.63Å; F7-L31 HydrophobicContact CZ-CB 4.44Å; F7-L31 HydrophobicContact CZ-CD1 4.21Å; F7-F34 HydrophobicContact CB-CD1 4.45Å; F7-F34 HydrophobicContact CB-CD2 3.37Å; F7-F34 HydrophobicContact CB-CE1 4.43Å; F7-F34 HydrophobicContact CB-CE2 3.34Å; F7-F34 HydrophobicContact CB-CG 3.95Å; F7-F34 HydrophobicContact CB-CZ 3.9Å; F7-F34 HydrophobicContact CD1-CB 4.29Å; F7-F34 AromaticContact CD1-CD1 3.97Å; F7-F34 HydrophobicContact CD1-CD1 3.97Å; F7-F34 HydrophobicContact CD1-CD2 4.24Å; F7-F34 HydrophobicContact CD1-CE1 4.32Å; F7-F34 AromaticContact CD1-CG 3.91Å; F7-F34 HydrophobicContact CD1-CG 3.91Å; F7-F34 HydrophobicContact CD2-CB 3.72Å; F7-F34 AromaticContact CD2-CD2 3.86Å; F7-F34 HydrophobicContact CD2-CD2 3.86Å; F7-F34 AromaticContact CD2-CG 3.87Å; F7-F34 HydrophobicContact CD2-CG 3.87Å; F7-F34 HydrophobicContact CE1-CB 4.3Å; F7-F34 HydrophobicContact CE1-CD1 4.36Å; F7-F34 HydrophobicContact CE1-CG 4.34Å; F7-F34 HydrophobicContact CE2-CB 3.73Å; F7-F34 HydrophobicContact CE2-CG 4.3Å; F7-F34 HydrophobicContact CG-CB 4.01Å; F7-F34 HydrophobicContact CG-CD1 4.15Å; F7-F34 AromaticContact CG-CD2 3.59Å; F7-F34 HydrophobicContact CG-CD2 3.59Å; F7-F34 HydrophobicContact CG-CE2 4.01Å; F7-F34 AromaticContact CG-CG 3.65Å; F7-F34 HydrophobicContact CG-CG 3.65Å; F7-F34 HydrophobicContact CG-CZ 4.45Å; F7-F34 HydrophobicContact CZ-CB 4.04Å; F7-V117 HydrophobicContact CE1-CG2 4.41Å; F7-V147 HydrophobicContact CD1-CB 3.97Å; F7-V147 HydrophobicContact CD1-CG1 3.67Å; F7-V147 HydrophobicContact CD1-CG2 4.37Å; F7-V147 HydrophobicContact CE1-CB 4Å; F7-V147 HydrophobicContact CE1-CG1 3.59Å; F7-V147 HydrophobicContact CE1-CG2 3.97Å; F7-V147 HydrophobicContact CE2-CG2 4.32Å; F7-V147 HydrophobicContact CG-CB 4.37Å; F7-V147 HydrophobicContact CZ-CB 4.42Å; F7-V147 HydrophobicContact CZ-CG1 4.38Å; F7-V147 HydrophobicContact CZ-CG2 3.94Å; F7-F149 HydrophobicContact CB-CE1 4.01Å; F7-F149 HydrophobicContact CB-CZ 3.93Å; F7-F149 HydrophobicContact CD1-CD1 4.14Å; F7-F149 HydrophobicContact CD1-CD2 4.1Å; F7-F149 HydrophobicContact CD1-CE1 4.2Å; F7-F149 HydrophobicContact CD1-CE2 4.15Å; F7-F149 HydrophobicContact CD1-CG 4.11Å; F7-F149 HydrophobicContact CD1-CZ 4.21Å
8D91.3Very high93.1Very high119 Ų11955.8 Ų55.864%0.63631%0.309SS*.THydrogen-bonded Turntrans48.7-125.7-163.9-49.2-38.8000110.2V10 F149D8-V10 VanDerWaalsContact C-N 3.26Å; D8-V10 PolarHBondContact O-N 3.31Å; D8-F149 WeakPolarHBondContact OD2-CZ 3.45Å
9D89.2Confident93Very high157 Ų15752.8 Ų52.884%0.8429%0.293SS*.THydrogen-bonded Turntrans-69.7-17.2177.6-55.9-45.7000114.1F7 K11F7-D9 PolarHBondContact O-N 2.69Å; D9-K11 PolarHBondContact O-N 3.43Å
10V92.3Very high93Very high50 Ų5053.2 Ų53.230%0.30330%0.299SS..EExtended strand (participates in β ladder)trans-88.6107.8-169.5-174.60000110.8C6 F7 D8 V12 F34 T38C6-V10 WeakPolarHBondContact CA-O 3.23Å; F7-V10 PolarHBondContact N-O 3.28Å; F7-V10 WeakPolarHBondContact O-CB 2.98Å; F7-V10 PolarHBondContact O-N 2.78Å; D8-V10 VanDerWaalsContact C-N 3.26Å; D8-V10 PolarHBondContact O-N 3.31Å; V10-V12 HydrophobicContact CG1-CG2 4.03Å; V10-F34 HydrophobicContact CB-CD2 4.01Å; V10-F34 HydrophobicContact CB-CE2 3.86Å; V10-F34 HydrophobicContact CG1-CD2 3.88Å; V10-F34 HydrophobicContact CG1-CE2 4.16Å; V10-F34 HydrophobicContact CG2-CE2 4.03Å; V10-T38 HydrophobicContact CG2-CG2 4.33Å
11K95.1Very high93.1Very high144 Ų14452 Ų5263%0.62629%0.292SS*.EExtended strand (participates in β ladder)trans-91.5123.8180-51.4-165177.5176.70111.5T4 D9T4-K11 HydrophobicContact CG2-CB 4.22Å; D9-K11 PolarHBondContact O-N 3.43Å
12V94.6Very high93.5Very high10 Ų1053 Ų536%0.06130%0.297CS..EExtended strand (participates in β ladder)trans-125.4115.9-168.5-171.90000110.2V5 F7 V10 R33 F34V5-V12 PolarHBondContact N-O 3.34Å; V5-V12 WeakPolarHBondContact O-CA 3.1Å; V5-V12 WeakPolarHBondContact O-CB 2.67Å; V5-V12 PolarHBondContact O-N 2.76Å; F7-V12 HydrophobicContact CD2-CG2 3.9Å; F7-V12 HydrophobicContact CE2-CB 4.48Å; F7-V12 HydrophobicContact CE2-CG2 4.24Å; V10-V12 HydrophobicContact CG1-CG2 4.03Å; V12-R33 HydrophobicContact CG1-CB 3.25Å; V12-R33 HydrophobicContact CG1-CG 4.38Å; V12-F34 HydrophobicContact CG2-CB 4.13Å; V12-F34 HydrophobicContact CG2-CD2 4.45Å
13V94.8Very high93.8Very high71 Ų7146.5 Ų46.543%0.4327%0.269SS..EExtended strand (participates in β ladder)trans-86.7123.6179.7-177.70000110.7K2 R33K2-V13 HydrophobicContact CB-CG1 4.21Å; V13-R33 WeakPolarHBondContact O-CD 3.29Å; V13-R33 PolarHBondContact O-NH1 2.98Å
14V94.2Very high93.9Very high0 Ų048.8 Ų48.80%028%0.278CS..EExtended strand (participates in β ladder)trans-107.7117.9177.9-172.30000109.8K2 V3 V5 C16 L26 M29 A30K2-V14 WeakPolarHBondContact CA-O 3.49Å; V3-V14 PolarHBondContact N-O 3.47Å; V3-V14 PolarHBondContact O-N 3.2Å; V5-V14 HydrophobicContact CG2-CG2 4.05Å; V14-C16 PolarHBondContact O-N 3.24Å; V14-C16 PolarHBondContact O-SG 2.87Å; V14-L26 HydrophobicContact CB-CD1 4.04Å; V14-L26 HydrophobicContact CG1-CD1 3.91Å; V14-M29 HydrophobicContact CG1-CB 3.75Å; V14-M29 HydrophobicContact CG1-CE 4.35Å; V14-M29 HydrophobicContact CG1-SD 4.45Å; V14-A30 HydrophobicContact CG2-CB 3.8Å
15P93Very high93.9Very high58 Ų5851.2 Ų51.238%0.37729%0.287SS..EExtended strand (participates in β ladder)trans-74.4121170.530.7-31.3000109.2
16C92.9Very high93.9Very high5 Ų551.2 Ų51.23%0.03429%0.287CS..  trans-107.46.5-173.4-54.20000112.5M1 V14 N18 G19 I21 L26 V135M1-C16 HydrophobicContact CB-CB 3.84Å; M1-C16 PolarHBondContact O-N 3.21Å; V14-C16 PolarHBondContact O-N 3.24Å; V14-C16 PolarHBondContact O-SG 2.87Å; C16-N18 PolarHBondContact O-N 3.27Å; C16-G19 WeakPolarHBondContact O-CA 3.16Å; C16-G19 PolarHBondContact O-N 3.37Å; C16-I21 HydrophobicContact CB-CD1 3.76Å; C16-I21 HydrophobicContact CB-CG1 4.34Å; C16-L26 WeakPolarHBondContact SG-CD1 3.19Å; C16-V135 HydrophobicContact CB-CG1 4.06Å
17G91.2Very high93.9Very high57 Ų5750.8 Ų50.859%0.58828%0.284SS*.THydrogen-bonded Turntrans61.6-121.5-173.800000112M1M1-G17 PolarHBondContact N-O 3.41Å
18N91Very high93.8Very high119 Ų11953.7 Ų53.764%0.63630%0.297SS*.THydrogen-bonded Turntrans-84.4-3.5171.964.1-16.3000113.6C16 S20C16-N18 PolarHBondContact O-N 3.27Å; N18-S20 PolarHBondContact OD1-N 3.45Å; N18-S20 VanDerWaalsContact OD1-N 3.14Å; N18-S20 PolarHBondContact OD1-OG 2.8Å; N18-S20 VanDerWaalsContact OD1-OG 3.05Å
19G92.5Very high94Very high0 Ų051 Ų510%028%0.282CS..SBendtrans80.912.6-177.200000115.7M1 C16 I21 V135 A136M1-G19 WeakPolarHBondContact SD-CA 3Å; C16-G19 WeakPolarHBondContact O-CA 3.16Å; C16-G19 PolarHBondContact O-N 3.37Å; G19-I21 PolarHBondContact O-N 2.96Å; G19-V135 PolarHBondContact O-N 3.32Å; G19-A136 WeakPolarHBondContact O-CB 3.35Å; G19-A136 PolarHBondContact O-N 2.71Å
20S93Very high94.3Very high59 Ų5943.5 Ų43.541%0.41324%0.242SC..  trans-69.8-12.7177.164.90000114.2N18 R134N18-S20 PolarHBondContact OD1-N 3.45Å; N18-S20 VanDerWaalsContact OD1-N 3.14Å; N18-S20 PolarHBondContact OD1-OG 2.8Å; N18-S20 VanDerWaalsContact OD1-OG 3.05Å; S20-R134 PolarHBondContact O-NH1 2.97Å; S20-R134 VanDerWaalsContact O-NH1 3.15Å
21I94.8Very high94.5Very high30 Ų3041.3 Ų41.315%0.15423%0.228CC..SBendtrans-64.9154.7175.563.5169.2000112C16 G19 E25 L26 M29 R134 V135C16-I21 HydrophobicContact CB-CD1 3.76Å; C16-I21 HydrophobicContact CB-CG1 4.34Å; G19-I21 PolarHBondContact O-N 2.96Å; I21-E25 WeakPolarHBondContact CA-OE2 3.34Å; I21-E25 HydrophobicContact CB-CB 4.33Å; I21-E25 VanDerWaalsContact CB-OE2 3.29Å; I21-E25 WeakPolarHBondContact CB-OE2 3.31Å; I21-L26 HydrophobicContact CD1-CB 4.37Å; I21-L26 HydrophobicContact CD1-CD1 4.39Å; I21-M29 HydrophobicContact CD1-CE 3.48Å; I21-M29 VanDerWaalsContact CD1-CE 3.48Å; I21-R134 WeakPolarHBondContact O-CA 3.22Å; I21-V135 HydrophobicContact CD1-CG2 4.03Å; I21-V135 HydrophobicContact CG1-CB 3.98Å; I21-V135 HydrophobicContact CG1-CG2 3.7Å; I21-V135 PolarHBondContact O-N 3.38Å
22L96.9Very high94.3Very high53 Ų5338 Ų3828%0.27722%0.217SC..BIsolated β-bridgetrans-81.3156.6175.4-57.3-177.9000112.3R24 E25 L26 D133 R134L22-R24 HydrophobicContact CB-CB 4.45Å; L22-R24 PolarHBondContact O-N 3.39Å; L22-E25 HydrophobicContact CB-CG 4.28Å; L22-E25 PolarHBondContact N-OE2 2.98Å; L22-E25 PolarHBondContact O-N 3.08Å; L22-L26 PolarHBondContact O-N 3.16Å; L22-D133 CarbonylContact C-O 3.58Å; L22-D133 VanDerWaalsContact CA-O 3.31Å; L22-D133 WeakPolarHBondContact CA-O 3.11Å; L22-R134 HydrophobicContact CD2-CG 4.27Å
23I96.4Very high94.3Very high1 Ų142.9 Ų42.91%0.00523%0.234CC..Hα-helixtrans-56.6-32.5171-67.7-58.3000111.9L26 A27 L120 L129 D130 W131 D133 V135 V138 L139I23-L26 HydrophobicContact CD1-CD2 4.17Å; I23-L26 WeakPolarHBondContact O-CB 3.1Å; I23-L26 PolarHBondContact O-N 3.28Å; I23-A27 PolarHBondContact O-N 3.23Å; I23-L120 HydrophobicContact CG2-CD1 3.76Å; I23-L129 HydrophobicContact CD1-CB 4.31Å; I23-L129 HydrophobicContact CD1-CD1 3.71Å; I23-L129 HydrophobicContact CG1-CB 4.16Å; I23-L129 HydrophobicContact CG1-CD1 4.47Å; I23-L129 HydrophobicContact CG2-CB 3.95Å; I23-D130 WeakPolarHBondContact CB-O 3.25Å; I23-W131 HydrophobicContact CG2-CE3 4.18Å; I23-W131 HydrophobicContact CG2-CZ3 4.44Å; I23-D133 HydrophobicContact CG1-CB 3.94Å; I23-D133 PolarHBondContact N-O 3.27Å; I23-V135 HydrophobicContact CD1-CG2 3.88Å; I23-V138 HydrophobicContact CD1-CG2 3.99Å; I23-V138 HydrophobicContact CG1-CG2 4.25Å; I23-L139 HydrophobicContact CD1-CD1 4.04Å
24R95.7Very high94.3Very high47 Ų4740 Ų4018%0.17722%0.216CC..Hα-helixtrans-58-52.5169.4-174175.5-61.1-74.1-1.7113L22 L26 A27 E28 L109 W131 D132L22-R24 HydrophobicContact CB-CB 4.45Å; L22-R24 PolarHBondContact O-N 3.39Å; R24-L26 VanDerWaalsContact C-N 3.3Å; R24-L26 PolarHBondContact O-N 3.45Å; R24-A27 PolarHBondContact O-N 3.44Å; R24-A27 VanDerWaalsContact O-N 3.16Å; R24-E28 WeakPolarHBondContact O-CG 3.4Å; R24-E28 PolarHBondContact O-N 2.96Å; R24-L109 HydrophobicContact CG-CD2 3.9Å; R24-W131 HydrophobicContact CB-CE3 4.08Å; R24-W131 WeakPolarHBondContact CB-O 3.45Å; R24-W131 PolarHBondContact N-O 2.93Å; R24-D132 IonicContact NE-OD1 3.5Å; R24-D132 IonicContact NH2-OD1 3.83Å
25E95.5Very high94.1Very high86 Ų8642 Ų4240%0.40223%0.225SC..Hα-helixtrans-65.8-34.9-179.6-60.2174.6136.700111.5I21 L22 E28 M29I21-E25 WeakPolarHBondContact CA-OE2 3.34Å; I21-E25 HydrophobicContact CB-CB 4.33Å; I21-E25 VanDerWaalsContact CB-OE2 3.29Å; I21-E25 WeakPolarHBondContact CB-OE2 3.31Å; L22-E25 HydrophobicContact CB-CG 4.28Å; L22-E25 PolarHBondContact N-OE2 2.98Å; L22-E25 PolarHBondContact O-N 3.08Å; E25-E28 PolarHBondContact O-N 3.26Å; E25-M29 WeakPolarHBondContact O-CB 3.4Å; E25-M29 WeakPolarHBondContact O-CG 3.35Å; E25-M29 PolarHBondContact O-N 3.17Å
26L96Very high93.9Very high0 Ų046.9 Ų46.90%024%0.241CC..Hα-helixtrans-57.6-49.1170.9-179.476.2000111.2V3 V14 C16 I21 L22 I23 R24 M29 A30 L120 V135 L139 L145V3-L26 HydrophobicContact CB-CD1 4.18Å; V3-L26 HydrophobicContact CG1-CD2 4.42Å; V3-L26 HydrophobicContact CG2-CD1 4.48Å; V14-L26 HydrophobicContact CB-CD1 4.04Å; V14-L26 HydrophobicContact CG1-CD1 3.91Å; C16-L26 WeakPolarHBondContact SG-CD1 3.19Å; I21-L26 HydrophobicContact CD1-CB 4.37Å; I21-L26 HydrophobicContact CD1-CD1 4.39Å; L22-L26 PolarHBondContact O-N 3.16Å; I23-L26 HydrophobicContact CD1-CD2 4.17Å; I23-L26 WeakPolarHBondContact O-CB 3.1Å; I23-L26 PolarHBondContact O-N 3.28Å; R24-L26 VanDerWaalsContact C-N 3.3Å; R24-L26 PolarHBondContact O-N 3.45Å; L26-M29 PolarHBondContact O-N 3.07Å; L26-A30 VanDerWaalsContact O-CB 3.25Å; L26-A30 WeakPolarHBondContact O-CB 3.47Å; L26-A30 PolarHBondContact O-N 3.05Å; L26-L120 HydrophobicContact CD2-CD1 4.16Å; L26-V135 HydrophobicContact CB-CG2 3.97Å; L26-V135 HydrophobicContact CD1-CG2 4.27Å; L26-V135 HydrophobicContact CD2-CG2 4.03Å; L26-V135 HydrophobicContact CG-CG2 4.32Å; L26-L139 HydrophobicContact CD2-CD1 4.12Å; L26-L145 HydrophobicContact CD2-CD1 3.6Å
27A96Very high93.4Very high0 Ų048.9 Ų48.90%026%0.255CS..Hα-helixtrans-65.3-40.5179.400000112.4I23 R24 A30 L31 L120 W131I23-A27 PolarHBondContact O-N 3.23Å; R24-A27 PolarHBondContact O-N 3.44Å; R24-A27 VanDerWaalsContact O-N 3.16Å; A27-A30 PolarHBondContact O-N 3.35Å; A27-L31 VanDerWaalsContact O-CB 3.26Å; A27-L31 WeakPolarHBondContact O-CB 3.36Å; A27-L31 PolarHBondContact O-N 3.4Å; A27-L120 HydrophobicContact CB-CD1 3.88Å; A27-W131 HydrophobicContact CB-CH2 3.94Å; A27-W131 HydrophobicContact CB-CZ3 3.56Å
28E94.7Very high93Very high61 Ų6147.7 Ų47.729%0.28524%0.236SC..Hα-helixtrans-59.3-48.4174.8-71-179.7-140.700111.6R24 E25 A30 L31 L32 L109 I111R24-E28 WeakPolarHBondContact O-CG 3.4Å; R24-E28 PolarHBondContact O-N 2.96Å; E25-E28 PolarHBondContact O-N 3.26Å; E28-A30 PolarHBondContact O-N 2.91Å; E28-L31 PolarHBondContact O-N 2.72Å; E28-L32 WeakPolarHBondContact O-CB 3.07Å; E28-L32 WeakPolarHBondContact O-CG 3.12Å; E28-L32 PolarHBondContact O-N 3.27Å; E28-L109 HydrophobicContact CG-CD1 3.81Å; E28-L109 HydrophobicContact CG-CD2 4.04Å; E28-L109 HydrophobicContact CG-CG 4.39Å; E28-L109 VanDerWaalsContact OE1-CD2 3.26Å; E28-L109 WeakPolarHBondContact OE1-CD2 3.34Å; E28-I111 HydrophobicContact CB-CD1 3.89Å; E28-I111 HydrophobicContact CG-CD1 3.85Å
29M94.6Very high91.9Very high63 Ų6345.4 Ų45.431%0.3123%0.229SC..Hα-helixtrans-66.8-34.7176.5-73.6-169.4-78.600113.1V14 I21 E25 L26 R33V14-M29 HydrophobicContact CG1-CB 3.75Å; V14-M29 HydrophobicContact CG1-CE 4.35Å; V14-M29 HydrophobicContact CG1-SD 4.45Å; I21-M29 HydrophobicContact CD1-CE 3.48Å; I21-M29 VanDerWaalsContact CD1-CE 3.48Å; E25-M29 WeakPolarHBondContact O-CB 3.4Å; E25-M29 WeakPolarHBondContact O-CG 3.35Å; E25-M29 PolarHBondContact O-N 3.17Å; L26-M29 PolarHBondContact O-N 3.07Å; M29-R33 WeakPolarHBondContact O-CB 3.14Å; M29-R33 VanDerWaalsContact O-CG 3.27Å; M29-R33 WeakPolarHBondContact O-CG 3.43Å; M29-R33 PolarHBondContact O-N 2.72Å
30A96Very high89.8Confident0 Ų049.1 Ų49.10%026%0.256CS..Hα-helixtrans-64.1-46.7173.800000110.9V5 F7 V14 L26 A27 E28 R33 F34V5-A30 HydrophobicContact CB-CB 3.99Å; V5-A30 HydrophobicContact CG1-CB 3.89Å; V5-A30 HydrophobicContact CG2-CB 4.01Å; F7-A30 HydrophobicContact CE2-CB 3.79Å; F7-A30 HydrophobicContact CZ-CB 3.76Å; V14-A30 HydrophobicContact CG2-CB 3.8Å; L26-A30 VanDerWaalsContact O-CB 3.25Å; L26-A30 WeakPolarHBondContact O-CB 3.47Å; L26-A30 PolarHBondContact O-N 3.05Å; A27-A30 PolarHBondContact O-N 3.35Å; E28-A30 PolarHBondContact O-N 2.91Å; A30-R33 PolarHBondContact O-N 2.81Å; A30-F34 WeakPolarHBondContact O-CB 3.46Å; A30-F34 PolarHBondContact O-N 3.35Å
31L94.8Very high87.3Confident4 Ų452 Ų522%0.02127%0.265CS..Hα-helixtrans-64.8-44.1-178.8-163.667.9000111.9F7 A27 E28 R33 F34 Q35 S113 V117F7-L31 HydrophobicContact CD1-CD1 4.5Å; F7-L31 HydrophobicContact CE1-CD1 3.63Å; F7-L31 HydrophobicContact CZ-CB 4.44Å; F7-L31 HydrophobicContact CZ-CD1 4.21Å; A27-L31 VanDerWaalsContact O-CB 3.26Å; A27-L31 WeakPolarHBondContact O-CB 3.36Å; A27-L31 PolarHBondContact O-N 3.4Å; E28-L31 PolarHBondContact O-N 2.72Å; L31-R33 VanDerWaalsContact C-N 3.29Å; L31-R33 PolarHBondContact O-N 2.78Å; L31-F34 PolarHBondContact O-N 2.84Å; L31-Q35 WeakPolarHBondContact O-CG 3.4Å; L31-Q35 PolarHBondContact O-N 3.19Å; L31-S113 WeakPolarHBondContact CD2-OG 3.23Å; L31-V117 HydrophobicContact CD1-CG2 3.88Å; L31-V117 HydrophobicContact CD2-CG2 4.33Å
32L91.5Very high84.3Confident74 Ų7456.5 Ų56.539%0.38729%0.289SS..Hα-helixtrans-62.4-35.1175.2-73.9168.2000112.6E28 K36 I111E28-L32 WeakPolarHBondContact O-CB 3.07Å; E28-L32 WeakPolarHBondContact O-CG 3.12Å; E28-L32 PolarHBondContact O-N 3.27Å; L32-K36 WeakPolarHBondContact O-CG 3.37Å; L32-K36 PolarHBondContact O-N 3.08Å; L32-I111 HydrophobicContact CD1-CD1 4.42Å; L32-I111 HydrophobicContact CD2-CG2 4.03Å; L32-I111 HydrophobicContact CG-CD1 4.35Å
33R94.2Very high81.2Confident113 Ų11362 Ų6243%0.42631%0.313SS..Hα-helixtrans-76.6-39175.3-73.7172.8171-102-17.4111.9V12 V13 M29 A30 L31 K36 S37V12-R33 HydrophobicContact CG1-CB 3.25Å; V12-R33 HydrophobicContact CG1-CG 4.38Å; V13-R33 WeakPolarHBondContact O-CD 3.29Å; V13-R33 PolarHBondContact O-NH1 2.98Å; M29-R33 WeakPolarHBondContact O-CB 3.14Å; M29-R33 VanDerWaalsContact O-CG 3.27Å; M29-R33 WeakPolarHBondContact O-CG 3.43Å; M29-R33 PolarHBondContact O-N 2.72Å; A30-R33 PolarHBondContact O-N 2.81Å; L31-R33 VanDerWaalsContact C-N 3.29Å; L31-R33 PolarHBondContact O-N 2.78Å; R33-K36 PolarHBondContact O-N 2.92Å; R33-S37 PolarHBondContact O-N 3.24Å
34F95.3Very high78Confident9 Ų966.6 Ų66.64%0.03934%0.342CS..Hα-helixtrans-57.4-54.1172172.1-111.3000110.8F7 V10 V12 A30 L31 K36 S37 T38 Y115 F149F7-F34 HydrophobicContact CB-CD1 4.45Å; F7-F34 HydrophobicContact CB-CD2 3.37Å; F7-F34 HydrophobicContact CB-CE1 4.43Å; F7-F34 HydrophobicContact CB-CE2 3.34Å; F7-F34 HydrophobicContact CB-CG 3.95Å; F7-F34 HydrophobicContact CB-CZ 3.9Å; F7-F34 HydrophobicContact CD1-CB 4.29Å; F7-F34 AromaticContact CD1-CD1 3.97Å; F7-F34 HydrophobicContact CD1-CD1 3.97Å; F7-F34 HydrophobicContact CD1-CD2 4.24Å; F7-F34 HydrophobicContact CD1-CE1 4.32Å; F7-F34 AromaticContact CD1-CG 3.91Å; F7-F34 HydrophobicContact CD1-CG 3.91Å; F7-F34 HydrophobicContact CD2-CB 3.72Å; F7-F34 AromaticContact CD2-CD2 3.86Å; F7-F34 HydrophobicContact CD2-CD2 3.86Å; F7-F34 AromaticContact CD2-CG 3.87Å; F7-F34 HydrophobicContact CD2-CG 3.87Å; F7-F34 HydrophobicContact CE1-CB 4.3Å; F7-F34 HydrophobicContact CE1-CD1 4.36Å; F7-F34 HydrophobicContact CE1-CG 4.34Å; F7-F34 HydrophobicContact CE2-CB 3.73Å; F7-F34 HydrophobicContact CE2-CG 4.3Å; F7-F34 HydrophobicContact CG-CB 4.01Å; F7-F34 HydrophobicContact CG-CD1 4.15Å; F7-F34 AromaticContact CG-CD2 3.59Å; F7-F34 HydrophobicContact CG-CD2 3.59Å; F7-F34 HydrophobicContact CG-CE2 4.01Å; F7-F34 AromaticContact CG-CG 3.65Å; F7-F34 HydrophobicContact CG-CG 3.65Å; F7-F34 HydrophobicContact CG-CZ 4.45Å; F7-F34 HydrophobicContact CZ-CB 4.04Å; V10-F34 HydrophobicContact CB-CD2 4.01Å; V10-F34 HydrophobicContact CB-CE2 3.86Å; V10-F34 HydrophobicContact CG1-CD2 3.88Å; V10-F34 HydrophobicContact CG1-CE2 4.16Å; V10-F34 HydrophobicContact CG2-CE2 4.03Å; V12-F34 HydrophobicContact CG2-CB 4.13Å; V12-F34 HydrophobicContact CG2-CD2 4.45Å; A30-F34 WeakPolarHBondContact O-CB 3.46Å; A30-F34 PolarHBondContact O-N 3.35Å; L31-F34 PolarHBondContact O-N 2.84Å; F34-K36 VanDerWaalsContact C-N 3.29Å; F34-K36 PolarHBondContact O-N 2.82Å; F34-S37 WeakPolarHBondContact O-CA 3.39Å; F34-S37 PolarHBondContact O-N 2.94Å; F34-S37 PolarHBondContact O-OG 2.74Å; F34-T38 HydrophobicContact CD2-CG2 3.84Å; F34-T38 HydrophobicContact CE1-CG2 4.33Å; F34-T38 HydrophobicContact CE2-CG2 3.39Å; F34-T38 HydrophobicContact CG-CG2 4.49Å; F34-T38 HydrophobicContact CZ-CG2 3.69Å; F34-T38 PolarHBondContact O-N 2.82Å; F34-T38 PolarHBondContact O-OG1 3.37Å; F34-T38 VanDerWaalsContact O-OG1 3.11Å; F34-Y115 HydrophobicContact CE1-CD1 4.45Å; F34-Y115 HydrophobicContact CE1-CD2 4.25Å; F34-Y115 HydrophobicContact CE1-CE1 4.25Å; F34-Y115 HydrophobicContact CE1-CE2 4.06Å; F34-Y115 HydrophobicContact CE1-CG 4.44Å; F34-F149 AromaticContact CE1-CE2 3.71Å; F34-F149 HydrophobicContact CE1-CE2 3.71Å; F34-F149 HydrophobicContact CE1-CZ 4.31Å; F34-F149 AromaticContact CZ-CE2 3.81Å; F34-F149 HydrophobicContact CZ-CE2 3.81Å; F34-F149 AromaticContact CZ-CZ 3.96Å; F34-F149 HydrophobicContact CZ-CZ 3.96Å
35Q90.7Very high74.6Confident43 Ų4372.7 Ų72.720%0.20137%0.369CS..Hα-helixtrans-56.2-40.6176.6-73.9-169.6-70.800112.5L31 S37 T38 S39 Y115L31-Q35 WeakPolarHBondContact O-CG 3.4Å; L31-Q35 PolarHBondContact O-N 3.19Å; Q35-S37 VanDerWaalsContact C-N 3.31Å; Q35-S37 PolarHBondContact O-N 2.94Å; Q35-T38 PolarHBondContact O-N 3.31Å; Q35-S39 WeakPolarHBondContact O-CB 3.39Å; Q35-S39 PolarHBondContact O-N 3.37Å; Q35-S39 PolarHBondContact O-OG 3.01Å; Q35-Y115 HydrophobicContact CG-CD2 4.31Å
36K87.5Confident71.4Confident161 Ų16173.9 Ų73.970%0.739%0.386SS*.Hα-helixtrans-65-32.6175.1-77.5177.1178.8-177.60113.1L32 R33 F34L32-K36 WeakPolarHBondContact O-CG 3.37Å; L32-K36 PolarHBondContact O-N 3.08Å; R33-K36 PolarHBondContact O-N 2.92Å; F34-K36 VanDerWaalsContact C-N 3.29Å; F34-K36 PolarHBondContact O-N 2.82Å
37S83.7Confident68.1Low47 Ų4778.7 Ų78.733%0.32942%0.418SS..Hα-helixtrans-74.9-46.3174.268.90000112.3R33 F34 Q35 S40R33-S37 PolarHBondContact O-N 3.24Å; F34-S37 WeakPolarHBondContact O-CA 3.39Å; F34-S37 PolarHBondContact O-N 2.94Å; F34-S37 PolarHBondContact O-OG 2.74Å; Q35-S37 VanDerWaalsContact C-N 3.31Å; Q35-S37 PolarHBondContact O-N 2.94Å; S37-S40 PolarHBondContact O-N 3.26Å; S37-S40 PolarHBondContact O-OG 2.72Å
38T81.8Confident65Low32 Ų3285.4 Ų85.420%0.19645%0.453CS..Hα-helixtrans-77.3-30.5-175.252.50000113.6V10 F34 Q35 S40 L41V10-T38 HydrophobicContact CG2-CG2 4.33Å; F34-T38 HydrophobicContact CD2-CG2 3.84Å; F34-T38 HydrophobicContact CE1-CG2 4.33Å; F34-T38 HydrophobicContact CE2-CG2 3.39Å; F34-T38 HydrophobicContact CG-CG2 4.49Å; F34-T38 HydrophobicContact CZ-CG2 3.69Å; F34-T38 PolarHBondContact O-N 2.82Å; F34-T38 PolarHBondContact O-OG1 3.37Å; F34-T38 VanDerWaalsContact O-OG1 3.11Å; Q35-T38 PolarHBondContact O-N 3.31Å; T38-S40 PolarHBondContact O-N 2.95Å; T38-L41 VanDerWaalsContact O-CB 3.3Å; T38-L41 WeakPolarHBondContact O-CB 3.47Å; T38-L41 PolarHBondContact O-N 2.95Å
39S68.3Low61.7Low70 Ų7089.6 Ų89.649%0.4948%0.477SS..Hα-helixtrans-64.4-25.2173.555.10000113.6Q35 L41Q35-S39 WeakPolarHBondContact O-CB 3.39Å; Q35-S39 PolarHBondContact O-N 3.37Å; Q35-S39 PolarHBondContact O-OG 3.01Å; S39-L41 VanDerWaalsContact C-N 3.3Å
40S48.1Very low58.5Low79 Ų7995.2 Ų95.255%0.55250%0.502SS*.Hα-helixtrans-68.7-27.4169.472.30000113.4S37 T38 L42 H43S37-S40 PolarHBondContact O-N 3.26Å; S37-S40 PolarHBondContact O-OG 2.72Å; T38-S40 PolarHBondContact O-N 2.95Å; S40-L42 VanDerWaalsContact C-N 3.31Å; S40-L42 PolarHBondContact O-N 3.45Å; S40-H43 PolarHBondContact O-N 3.15Å
41L40.2Very low55.3Low118 Ų118102.6 Ų102.662%0.61854%0.542SS*.Hα-helixtrans-76.1-19.7-175.2-153.572.2000112.8T38 S39 H43 T44T38-L41 VanDerWaalsContact O-CB 3.3Å; T38-L41 WeakPolarHBondContact O-CB 3.47Å; T38-L41 PolarHBondContact O-N 2.95Å; S39-L41 VanDerWaalsContact C-N 3.3Å; L41-H43 VanDerWaalsContact C-N 3.3Å; L41-H43 PolarHBondContact O-N 2.91Å; L41-T44 PolarHBondContact O-N 3.45Å; L41-T44 PolarHBondContact O-OG1 2.78Å
42L32.6Very low52.2Low126 Ų126110.5 Ų110.566%0.6658%0.582SS**G310 helixtrans-70.9-20.9177.6-78.9167.9000113.6S40 T44 K45S40-L42 VanDerWaalsContact C-N 3.31Å; S40-L42 PolarHBondContact O-N 3.45Å; L42-T44 PolarHBondContact O-N 2.86Å; L42-K45 PolarHBondContact O-N 2.9Å
43H32Very low49.2Very low168 Ų168112.8 Ų112.878%0.77860%0.6SS**G310 helixtrans-71.1-11.3172-100.692.6000113.9S40 L41S40-H43 PolarHBondContact O-N 3.15Å; L41-H43 VanDerWaalsContact C-N 3.3Å; L41-H43 PolarHBondContact O-N 2.91Å
44T28.1Very low46.1Very low98 Ų98112.7 Ų112.760%0.60162%0.617SS**G310 helixtrans-1132.5177.938.20000114.1L41 L42L41-T44 PolarHBondContact O-N 3.45Å; L41-T44 PolarHBondContact O-OG1 2.78Å; L42-T44 PolarHBondContact O-N 2.86Å
45K25.8Very low42.6Very low175 Ų175118.2 Ų118.276%0.76166%0.655SS**SBendtrans-116.517.4174.5-136.4171.4-174.6177.20114L42L42-K45 PolarHBondContact O-N 2.9Å
46C27.8Very low39.7Very low110 Ų110123 Ų12374%0.74369%0.687SS**SBendtrans-107.328.3166.6-158.40000111.3
47C27.5Very low37Very low101 Ų101119 Ų11968%0.68269%0.691SS**SBendtrans-133.514-175.3-55.70000113.5
48I29.2Very low34.5Very low141 Ų141122.9 Ų122.972%0.72372%0.718SS**SBendtrans-133.752175.2-44.4-180000108.9
49D26.2Very low31.9Very low149 Ų149129.9 Ų129.980%0.79775%0.749SS**SBendtrans-149.457.6169.9-96.5-41.8000108.6
50Q27.6Very low30Very low181 Ų181132.2 Ų132.285%0.84676%0.76SS**  trans-166.787.6177.4-118152.493.600111.3
51N27.6Very low29.1Very low156 Ų156138 Ų13883%0.83478%0.775SS**  trans-16656.2154.5-111.1-18.3000114.8
52I29.7Very low28.6Very low169 Ų169137.5 Ų137.587%0.86778%0.782SS**SBendtrans-126.687.1140-59.6-174000108.3
53T29.2Very low28.6Very low123 Ų123137.2 Ų137.276%0.75579%0.788SS**  trans10.5107.4149.8-45.90000118.7
54S28.7Very low28.4Very low111 Ų111137.8 Ų137.878%0.77679%0.79SS**  -153.4126.8125.953.50000110.2
55C21.8Very low28.3Very low125 Ų125142.7 Ų142.785%0.84580%0.803SS**  trans-151.798.3-174.4-82.10000110.8
56T31.2Very low28.5Very low144 Ų144145.6 Ų145.688%0.88381%0.81SS**  trans-148.3111.217344.50000112
57G29.4Very low28.6Very low75 Ų75149.9 Ų149.977%0.77382%0.816SS**  trans77144.8168.400000115.9
58S32.1Very low28.5Very low129 Ų129153.7 Ų153.790%0.90282%0.824SS**  cis-152.5159.6-6.6-77.70000110
59Q26.8Very low28.3Very low179 Ų179152.3 Ų152.384%0.83682%0.821SS**  trans-94165.5-172.7-72.6-164.36.600115.7
60T27.6Very low28.3Very low119 Ų119151.7 Ų151.773%0.7382%0.818SS**  trans82.5141.9161.983.10000115.6
61K29.9Very low28.1Very low201 Ų201154 Ų15487%0.87482%0.821SS**  cis-131.3159.111.3-65.5170.2-176.2173.70112.1
62S29.9Very low28Very low107 Ų107153.4 Ų153.475%0.74882%0.817SS**  trans-97168.8168.6-160.90000110.3
63P32.2Very low27.8Very low121 Ų121151.5 Ų151.579%0.78681%0.808SS**  -146.2-176.385.238.4-19.3000116.2
64E27.5Very low27.7Very low179 Ų179152.3 Ų152.384%0.83680%0.803SS**  trans-68.5157.9-168.3-51.815989.200117.6
65K26.6Very low27.5Very low201 Ų201156.4 Ų156.487%0.87481%0.81SS**  -173.8144119.1-103.5162.2-175.3174.20113.8
66R30.5Very low27.7Very low236 Ų236157.8 Ų157.889%0.89180%0.804SS**  trans66.7136.2178.3-58.5176.1174.1171.4-1.4114.5
67K29.8Very low27.6Very low200 Ų200159.1 Ų159.187%0.8780%0.8SS**  cis-151.4148.9-7.2-119.1-173.6-179.2-170.30108.2
68Q24.7Very low27.5Very low182 Ų182163.9 Ų163.985%0.8580%0.803SS**  trans-137.1168.6171.5-160.5-174.139.900109.2
69V26Very low27.4Very low111 Ų111165.9 Ų165.967%0.67380%0.798SS**  trans93.3124.9162.7-173.70000117.8
70N26Very low27.4Very low136 Ų136164.5 Ų164.573%0.72779%0.791SS**  trans61.7126.3159.5-68.2-3.6000122.9
71Y23.4Very low27.3Very low231 Ų231164.4 Ų164.491%0.90680%0.795SS**  -122.8116.3125.1-113.1-81.1000109.1
72N24.2Very low27.3Very low143 Ų143161.3 Ų161.377%0.76578%0.784SS**  trans-161.5148.6163.2-132.2-6.8000106.5
73L25.3Very low27.3Very low128 Ų128163.9 Ų163.967%0.6779%0.788SS**  trans63.4157-154.5-88.555.5000112.6
74E28.3Very low27.1Very low140 Ų140165.4 Ų165.465%0.65479%0.788SS**  cis-120.2139.78.1-121107.3-153.700113.4Q76E74-Q76 HydrophobicContact CG-CB 4.17Å
75Q24Very low27.2Very low197 Ų197162 Ų16292%0.92178%0.783SS**  trans-99.981.7138.1-87-164.451.500107.5
76Q25.9Very low27.2Very low155 Ų155162 Ų16272%0.72478%0.783SS**  trans-172.1108.9160.5-112.6172.340.800110.8E74E74-Q76 HydrophobicContact CG-CB 4.17Å
77Q30Very low27Very low171 Ų171153.8 Ų153.880%0.79977%0.773SS**  172.3105.6123.1-931645100109.7
78Q26.5Very low27Very low176 Ų176152.7 Ų152.782%0.82278%0.775SS**  trans-82.4141.7151.4-71.1-175.8-12.700107.7
79Q30.2Very low27.1Very low170 Ų170150.9 Ų150.979%0.79477%0.771SS**  trans68.6138.2167.9-55.5176.435.800117.2
80H27.5Very low27.1Very low150 Ų150154.4 Ų154.469%0.69478%0.781SS**  cis-167.7137.4-23.2-162.5-142.9000109.8Q82H80-Q82 VanDerWaalsContact CE1-CG 3.45Å; H80-Q82 WeakPolarHBondContact CE1-CG 3.45Å; H80-Q82 PolarHBondContact CE1-NE2 2.73Å
81S25.6Very low27.2Very low117 Ų117153.4 Ų153.482%0.81878%0.784SS**  trans-148.1131.1153.155.40000110
82Q28.6Very low27.5Very low136 Ų136149.2 Ų149.264%0.63678%0.778SS**  trans-92.8-167178.6-67176.2-33.200110.5H80H80-Q82 VanDerWaalsContact CE1-CG 3.45Å; H80-Q82 WeakPolarHBondContact CE1-CG 3.45Å; H80-Q82 PolarHBondContact CE1-NE2 2.73Å
83I30.5Very low27.8Very low162 Ų162150 Ų15083%0.83178%0.782SS**  trans81.6101.7-175.1-56168.7000109.3
84I29Very low27.8Very low153 Ų153151.3 Ų151.379%0.78579%0.789SS**SBendcis-147.6144.913.7-67.8-174.2000107.8
85S29.6Very low27.8Very low106 Ų106149.2 Ų149.274%0.74179%0.79SS**  cis-159.1168.1-1452.80000110.3
86K24.7Very low28.1Very low201 Ų201147.6 Ų147.687%0.87478%0.782SS**  trans-79.9167.6165.5-65.9-177.2176.9-176.10111.7
87G26.9Very low28.3Very low65 Ų65146.8 Ų146.867%0.6778%0.782SS**  trans116.2131.2178.500000110.9
88L29.9Very low28.2Very low176 Ų176147.1 Ų147.192%0.92178%0.781SS**  cis-116.4165.912.2-124.972.8000113.6
89D26.6Very low28.3Very low145 Ų145142.7 Ų142.778%0.77577%0.769SS**  trans-90.6176.7-179-67.9-75.6000114.7
90Q26.5Very low28.2Very low185 Ų185141 Ų14186%0.86477%0.766SS**  trans-42.3138.6173.2-55.4154.97.200115.9
91S29.3Very low28.2Very low115 Ų115140.5 Ų140.580%0.80477%0.768SS**  trans-166.1142.3133.162.30000110.6
92N28.1Very low28.4Very low143 Ų143146.1 Ų146.177%0.76577%0.772SS**  trans-83.2160.2179.5-52.7-30.6000112
93D30.3Very low28.3Very low159 Ų159148.4 Ų148.485%0.8578%0.779SS**  167.3174.3107.1-86.3-25.2000112.1
94D26.1Very low28.2Very low156 Ų156148.5 Ų148.583%0.83478%0.781SS**  trans-102171.7-144.5-119.5-45.4000117.9
95S29.2Very low28.2Very low95 Ų95146 Ų14666%0.66477%0.773SS**  trans94.2105.9149.876.60000123.3
96H30.2Very low28.4Very low164 Ų164143.7 Ų143.776%0.75976%0.757SS**  78.1121.7124.8-80.7-56.2000126.2
97L28.8Very low29Very low138 Ų138142.4 Ų142.472%0.72375%0.747SS**  trans71.7149.4140.6-59169.7000117.5
98K27.6Very low29.4Very low177 Ų177145.8 Ų145.877%0.7774%0.743SS**  cis-157.8163.1-1.4-107.8162.2177.8-1780106.2
99S29.8Very low30Very low83 Ų83138.6 Ų138.658%0.5871%0.705SS**  cis-169.5175-18.749.10000110.7
100D28.4Very low30.7Very low135 Ų135139.1 Ų139.172%0.72271%0.708SS**  trans78.8144.3151.1-52.2-45.2000124.4
101N27.2Very low31.8Very low139 Ų139131.9 Ų131.974%0.74368%0.675SS**  trans66.3117.6162.6-71.8-46.4000118.5
102R29.8Very low33.2Very low236 Ų236134.4 Ų134.489%0.89168%0.68SS**  cis-144.416122.9-70.4-176.1168.6171.8-5.8114.7
103K26.1Very low35Very low183 Ų183127.9 Ų127.980%0.79665%0.645SS**  trans-19.6158.8165.8-55.3176.3-179.5179.50119.2
104N28.8Very low37.5Very low164 Ų164124.3 Ų124.388%0.87763%0.626SS**  trans70.1105.9-179.5-804.2000116.9
105V28.7Very low40.5Very low100 Ų100119.4 Ų119.461%0.60660%0.596SS**  trans-126.286.5159.8-170.20000108.1W107V105-W107 HydrophobicContact CG1-CD2 3.49Å; V105-W107 VanDerWaalsContact CG1-CD2 3.49Å; V105-W107 HydrophobicContact CG1-CE3 3.66Å; V105-W107 HydrophobicContact CG1-CG 4.08Å; V105-W107 HydrophobicContact CG1-CH2 3.97Å; V105-W107 HydrophobicContact CG1-CZ2 3.8Å; V105-W107 HydrophobicContact CG1-CZ3 3.9Å
106S33Very low43.3Very low59 Ų59115.5 Ų115.541%0.41357%0.568SS.*  trans-77.4132.3144.182.30000105.6K108 E116S106-K108 PolarHBondContact O-N 2.88Å; S106-E116 PolarHBondContact OG-OE1 3.09Å
107W37.2Very low46.3Very low173 Ų173108.3 Ų108.366%0.65554%0.535SS*.  trans-7967.2-174.9-63.299.6000110.3V105 L109V105-W107 HydrophobicContact CG1-CD2 3.49Å; V105-W107 VanDerWaalsContact CG1-CD2 3.49Å; V105-W107 HydrophobicContact CG1-CE3 3.66Å; V105-W107 HydrophobicContact CG1-CG 4.08Å; V105-W107 HydrophobicContact CG1-CH2 3.97Å; V105-W107 HydrophobicContact CG1-CZ2 3.8Å; V105-W107 HydrophobicContact CG1-CZ3 3.9Å; W107-L109 PolarHBondContact O-N 3.16Å
108K36.1Very low49.3Very low136 Ų136104.8 Ų104.859%0.59152%0.517SS*.  trans-56.799-179.7-79.9-176.4176.9-175.10110.8S106 N110 E116S106-K108 PolarHBondContact O-N 2.88Å; K108-N110 PolarHBondContact O-N 3.33Å; K108-E116 WeakPolarHBondContact CE-OE2 3.35Å; K108-E116 HydrophobicContact CG-CG 4.49Å; K108-E116 VanDerWaalsContact CG-OE1 3.25Å; K108-E116 WeakPolarHBondContact CG-OE1 3.47Å
109L42.1Very low52.4Low25 Ų2597.4 Ų97.413%0.13149%0.488CS..  trans-58.8109.1167.7-69.9173.8000108R24 E28 W107 I111R24-L109 HydrophobicContact CG-CD2 3.9Å; E28-L109 HydrophobicContact CG-CD1 3.81Å; E28-L109 HydrophobicContact CG-CD2 4.04Å; E28-L109 HydrophobicContact CG-CG 4.39Å; E28-L109 VanDerWaalsContact OE1-CD2 3.26Å; E28-L109 WeakPolarHBondContact OE1-CD2 3.34Å; W107-L109 PolarHBondContact O-N 3.16Å; L109-I111 PolarHBondContact O-N 2.84Å
110N41.8Very low55.5Low156 Ų15693.5 Ų93.583%0.83446%0.46SS*.  trans-83.748.5-171.3-162.570.9000111.8K108K108-N110 PolarHBondContact O-N 3.33Å
111I48.9Very low58.6Low34 Ų3488.4 Ų88.417%0.17443%0.434CS..SBendtrans-83.3141.8159.7-58.8175.8000106.5E28 L32 L109 S113 K152E28-I111 HydrophobicContact CB-CD1 3.89Å; E28-I111 HydrophobicContact CG-CD1 3.85Å; L32-I111 HydrophobicContact CD1-CD1 4.42Å; L32-I111 HydrophobicContact CD2-CG2 4.03Å; L32-I111 HydrophobicContact CG-CD1 4.35Å; L109-I111 PolarHBondContact O-N 2.84Å; I111-S113 PolarHBondContact O-N 3Å; I111-K152 PolarHBondContact O-NZ 3.42Å; I111-K152 VanDerWaalsContact O-NZ 3.08Å
112D58.8Low61.8Low167 Ų16782.2 Ų82.289%0.89340%0.401SS*.SBendtrans-6962.4166.9-76.7-36.5000110.6
113S65.4Low64.6Low6 Ų673.2 Ų73.24%0.04238%0.377CS..  trans-111.9129.2178.6161.20000108.2L31 I111 Y115 K152L31-S113 WeakPolarHBondContact CD2-OG 3.23Å; I111-S113 PolarHBondContact O-N 3Å; S113-Y115 PolarHBondContact O-N 3.2Å; S113-Y115 PolarHBondContact OG-N 2.86Å; S113-Y115 PolarHBondContact OG-O 2.84Å; S113-K152 VanDerWaalsContact O-CD 3.26Å; S113-K152 WeakPolarHBondContact O-CD 3.27Å; S113-K152 VanDerWaalsContact O-CE 3.29Å; S113-K152 WeakPolarHBondContact O-CE 3.37Å; S113-K152 PolarHBondContact O-NZ 3.49Å
114D83.2Confident67.4Low84 Ų8471.3 Ų71.345%0.44937%0.365SS..SBendtrans-57.3-6.8168.2-100.224.4000113.5K151 K152D114-K151 VanDerWaalsContact CG-CE 3.49Å; D114-K151 CarbonylContact O-C 3.57Å; D114-K151 WeakPolarHBondContact O-CA 3.42Å; D114-K151 WeakPolarHBondContact O-CG 3.47Å; D114-K151 WeakPolarHBondContact OD2-CE 3.45Å; D114-K151 IonicContact OD2-NZ 2.73Å; D114-K151 PolarHBondContact OD2-NZ 3.24Å; D114-K152 PolarHBondContact O-N 3.26Å
115Y88.7Confident70Confident54 Ų5467 Ų6721%0.21234%0.342CS..EExtended strand (participates in β ladder)trans-126.3147.5-173.2-59.8-86.9000112.1F34 Q35 S113 F149 R150 K151 K152F34-Y115 HydrophobicContact CE1-CD1 4.45Å; F34-Y115 HydrophobicContact CE1-CD2 4.25Å; F34-Y115 HydrophobicContact CE1-CE1 4.25Å; F34-Y115 HydrophobicContact CE1-CE2 4.06Å; F34-Y115 HydrophobicContact CE1-CG 4.44Å; Q35-Y115 HydrophobicContact CG-CD2 4.31Å; S113-Y115 PolarHBondContact O-N 3.2Å; S113-Y115 PolarHBondContact OG-N 2.86Å; S113-Y115 PolarHBondContact OG-O 2.84Å; Y115-F149 AromaticContact CD1-CD2 3.64Å; Y115-F149 HydrophobicContact CD1-CD2 3.64Å; Y115-F149 AromaticContact CD1-CE2 3.65Å; Y115-F149 HydrophobicContact CD1-CE2 3.65Å; Y115-F149 HydrophobicContact CE1-CD2 4.33Å; Y115-F149 AromaticContact CE1-CE2 3.87Å; Y115-F149 HydrophobicContact CE1-CE2 3.87Å; Y115-F149 HydrophobicContact CG-CD2 4.26Å; Y115-F149 HydrophobicContact CG-CE2 4.45Å; Y115-R150 WeakPolarHBondContact CA-O 3.34Å; Y115-K151 HydrophobicContact CD1-CB 4.2Å; Y115-K151 HydrophobicContact CD1-CG 4.24Å; Y115-K151 HydrophobicContact CE1-CB 4.18Å; Y115-K151 HydrophobicContact CE1-CG 4.1Å; Y115-K152 VanDerWaalsContact O-CE 3.27Å; Y115-K152 WeakPolarHBondContact O-CE 3.24Å
116E88.6Confident72.6Confident13 Ų1364.1 Ų64.16%0.06133%0.332CS..EExtended strand (participates in β ladder)trans-123.9127174.7-173.1-177.9173.800107.9S106 K108 F149 R150 K152S106-E116 PolarHBondContact OG-OE1 3.09Å; K108-E116 WeakPolarHBondContact CE-OE2 3.35Å; K108-E116 HydrophobicContact CG-CG 4.49Å; K108-E116 VanDerWaalsContact CG-OE1 3.25Å; K108-E116 WeakPolarHBondContact CG-OE1 3.47Å; E116-F149 WeakPolarHBondContact O-CA 3.38Å; E116-F149 WeakPolarHBondContact O-CB 3.37Å; E116-R150 HydrophobicContact CB-CG 4.09Å; E116-R150 PolarHBondContact N-O 2.81Å; E116-R150 PolarHBondContact O-N 2.79Å; E116-R150 IonicContact OE1-CZ 2.69Å; E116-R150 IonicContact OE1-NE 2.68Å; E116-R150 IonicContact OE1-NH2 3.55Å; E116-R150 PolarHBondContact OE1-NH2 2.93Å; E116-R150 IonicContact OE2-CZ 3.77Å; E116-R150 IonicContact OE2-NE 3.24Å; E116-R150 PolarHBondContact OE2-NE 2.92Å; E116-R150 IonicContact OE2-NH2 3.91Å; E116-R150 PolarHBondContact OE2-NH2 3.23Å; E116-K152 HydrophobicContact CB-CG 3.87Å
117V93.1Very high75.3Confident13 Ų1362.1 Ų62.18%0.07932%0.321CS..EExtended strand (participates in β ladder)trans-88.2127.9177.2178.60000108.9F7 L31 W131 V147 F149F7-V117 HydrophobicContact CE1-CG2 4.41Å; L31-V117 HydrophobicContact CD1-CG2 3.88Å; L31-V117 HydrophobicContact CD2-CG2 4.33Å; V117-W131 HydrophobicContact CB-CH2 4.34Å; V117-W131 HydrophobicContact CG1-CH2 3.75Å; V117-W131 HydrophobicContact CG1-CZ2 4.28Å; V117-V147 HydrophobicContact CG1-CG1 3.93Å; V117-V147 HydrophobicContact CG2-CG1 4.12Å; V117-F149 HydrophobicContact CG2-CB 4.42Å
118D91.2Very high77.9Confident63 Ų6358.5 Ų58.534%0.33731%0.314SS..EExtended strand (participates in β ladder)trans-93.3-39.4177.3-75-63.1000112.2N148 R150D118-N148 PolarHBondContact N-O 3.34Å; D118-R150 IonicContact OD1-CZ 3.25Å; D118-R150 IonicContact OD1-NH1 2.64Å; D118-R150 PolarHBondContact OD1-NH1 2.99Å; D118-R150 IonicContact OD1-NH2 2.97Å; D118-R150 PolarHBondContact OD1-NH2 2.79Å; D118-R150 IonicContact OD2-CZ 2.67Å; D118-R150 IonicContact OD2-NH1 3.5Å; D118-R150 PolarHBondContact OD2-NH1 3.45Å; D118-R150 IonicContact OD2-NH2 3.82Å
119S93.2Very high80.7Confident22 Ų2252.7 Ų52.715%0.15429%0.289CS..EExtended strand (participates in β ladder)trans-157.8157.4174.861.20000113.7N148S119-N148 PolarHBondContact N-O 3.22Å; S119-N148 PolarHBondContact O-N 3.31Å
120L95.3Very high83.2Confident1 Ų154.8 Ų54.81%0.00530%0.3CS..EExtended strand (participates in β ladder)trans-106.5129.8163.8-83.6165.1000109V5 I23 L26 A27 I128 L129 L145 V147V5-L120 HydrophobicContact CG1-CD2 3.9Å; I23-L120 HydrophobicContact CG2-CD1 3.76Å; L26-L120 HydrophobicContact CD2-CD1 4.16Å; A27-L120 HydrophobicContact CB-CD1 3.88Å; L120-I128 WeakPolarHBondContact O-CA 3.41Å; L120-L129 HydrophobicContact CB-CD1 4.3Å; L120-L129 PolarHBondContact O-N 3.1Å; L120-L129 VanDerWaalsContact O-N 3.15Å; L120-L145 HydrophobicContact CD1-CD1 4.45Å; L120-L145 HydrophobicContact CD2-CB 3.96Å; L120-L145 HydrophobicContact CD2-CD1 3.87Å; L120-V147 HydrophobicContact CD2-CG2 3.34Å; L120-V147 HydrophobicContact CG-CG2 4.23Å
121T94.1Very high85.6Confident28 Ų2849.1 Ų49.117%0.17227%0.267CS..EExtended strand (participates in β ladder)trans-121.3139.9173.944.70000112.5A123 G127 I128 L145 I146T121-A123 PolarHBondContact O-N 3.25Å; T121-G127 CarbonylContact C-O 3.48Å; T121-G127 VanDerWaalsContact CA-O 3.29Å; T121-G127 WeakPolarHBondContact CA-O 3.42Å; T121-I128 HydrophobicContact CG2-CB 4.38Å; T121-I128 HydrophobicContact CG2-CG1 3.55Å; T121-L145 CarbonylContact O-C 3.31Å; T121-L145 VanDerWaalsContact O-CA 3.28Å; T121-L145 WeakPolarHBondContact O-CA 3.35Å; T121-I146 PolarHBondContact N-O 2.81Å; T121-I146 PolarHBondContact O-N 2.61Å; T121-I146 PolarHBondContact OG1-O 3.36Å
122L93.1Very high87.8Confident10 Ų1052.9 Ų52.95%0.05229%0.287CS..EExtended strand (participates in β ladder)trans-64.2121.8168-90.1160000110.7R124 D125 G126 G127 L129 L139 E143 L145L122-R124 HydrophobicContact CB-CG 4.45Å; L122-R124 HydrophobicContact CD2-CG 4.36Å; L122-R124 PolarHBondContact O-N 3.26Å; L122-D125 WeakPolarHBondContact CB-OD1 3.43Å; L122-D125 PolarHBondContact O-N 3.45Å; L122-G126 WeakPolarHBondContact O-CA 3.45Å; L122-G126 PolarHBondContact O-N 3.05Å; L122-G127 PolarHBondContact N-O 3.28Å; L122-L129 HydrophobicContact CD1-CD2 3.92Å; L122-L129 HydrophobicContact CG-CD2 4.19Å; L122-L139 HydrophobicContact CD1-CD2 4.42Å; L122-L139 HydrophobicContact CD2-CD2 3.63Å; L122-L139 HydrophobicContact CG-CD2 4.03Å; L122-E143 HydrophobicContact CD2-CB 4.36Å; L122-E143 WeakPolarHBondContact CD2-OE1 3.5Å; L122-L145 HydrophobicContact CD2-CD2 3.98Å; L122-L145 HydrophobicContact CG-CD2 4.09Å
123A90.3Very high89.5Confident46 Ų4647.7 Ų47.738%0.3826%0.26SS..THydrogen-bonded Turntrans-66.9-19.9-179.800000113.7T121 L144 I146T121-A123 PolarHBondContact O-N 3.25Å; A123-L144 HydrophobicContact CB-CB 4.21Å; A123-L144 HydrophobicContact CB-CD2 3.67Å; A123-L144 WeakPolarHBondContact CB-O 3.38Å; A123-L144 PolarHBondContact N-O 3.39Å; A123-I146 HydrophobicContact CB-CD1 4.01Å; A123-I146 HydrophobicContact CB-CG1 4.05Å
124R83.3Confident90.9Very high144 Ų14453.4 Ų53.454%0.54328%0.28SS..THydrogen-bonded Turntrans-77.9-27-178.774.6178.5-179.7-152.4-5.7114.3L122 D140 E143L122-R124 HydrophobicContact CB-CG 4.45Å; L122-R124 HydrophobicContact CD2-CG 4.36Å; L122-R124 PolarHBondContact O-N 3.26Å; R124-D140 IonicContact NH1-OD2 3.43Å; R124-E143 VanDerWaalsContact CD-OE1 3.29Å; R124-E143 WeakPolarHBondContact CD-OE1 3.41Å; R124-E143 IonicContact CZ-OE1 3.89Å; R124-E143 VanDerWaalsContact CZ-OE1 3.24Å; R124-E143 IonicContact CZ-OE2 3.13Å; R124-E143 IonicContact NE-OE1 2.91Å; R124-E143 PolarHBondContact NE-OE1 3.27Å; R124-E143 IonicContact NH1-OE1 2.83Å; R124-E143 PolarHBondContact NH1-OE1 2.88Å; R124-E143 IonicContact NH1-OE2 2.88Å; R124-E143 PolarHBondContact NH1-OE2 3.49Å; R124-E143 IonicContact NH2-OE2 3.28Å
125D83.3Confident91.5Very high73 Ų7349.4 Ų49.439%0.3926%0.259SS..THydrogen-bonded Turntrans-148.4-2.4-16759.337000114.5L122 G127 K1258L122-D125 WeakPolarHBondContact CB-OD1 3.43Å; L122-D125 PolarHBondContact O-N 3.45Å; D125-G127 PolarHBondContact O-N 3.35Å; D125-G127 WeakPolarHBondContact OD1-CA 3.32Å; D125-G127 PolarHBondContact OD1-N 3.15Å; D125-K1258 PolarHBondContact O-NZ 2.82Å
126G84.8Confident91.7Very high39 Ų3949.2 Ų49.240%0.40227%0.269SS..  trans62.926.6-176.900000113.6L122 I128 K1258L122-G126 WeakPolarHBondContact O-CA 3.45Å; L122-G126 PolarHBondContact O-N 3.05Å; G126-I128 PolarHBondContact O-N 3.06Å; G126-K1258 PolarHBondContact O-NZ 2.8Å
127G89.2Confident91.9Very high18 Ų1854.1 Ų54.119%0.18630%0.295CS..PPolyproline II helixtrans-71.1117171.800000110.7T121 L122 D125T121-G127 CarbonylContact C-O 3.48Å; T121-G127 VanDerWaalsContact CA-O 3.29Å; T121-G127 WeakPolarHBondContact CA-O 3.42Å; L122-G127 PolarHBondContact N-O 3.28Å; D125-G127 PolarHBondContact O-N 3.35Å; D125-G127 WeakPolarHBondContact OD1-CA 3.32Å; D125-G127 PolarHBondContact OD1-N 3.15Å
128I92.5Very high91.9Very high97 Ų9755.7 Ų55.750%0.49731%0.305SS..BIsolated β-bridgetrans-70.8128.9166.5-62.7169.3000107.5L120 T121 G126L120-I128 WeakPolarHBondContact O-CA 3.41Å; T121-I128 HydrophobicContact CG2-CB 4.38Å; T121-I128 HydrophobicContact CG2-CG1 3.55Å; G126-I128 PolarHBondContact O-N 3.06Å
129L94.2Very high91.9Very high14 Ų1453.2 Ų53.27%0.07329%0.291CS..PPolyproline II helixtrans-85.5139.9175.1-52.2175.5000109.1I23 L120 L122 V138 L139 L145I23-L129 HydrophobicContact CD1-CB 4.31Å; I23-L129 HydrophobicContact CD1-CD1 3.71Å; I23-L129 HydrophobicContact CG1-CB 4.16Å; I23-L129 HydrophobicContact CG1-CD1 4.47Å; I23-L129 HydrophobicContact CG2-CB 3.95Å; L120-L129 HydrophobicContact CB-CD1 4.3Å; L120-L129 PolarHBondContact O-N 3.1Å; L120-L129 VanDerWaalsContact O-N 3.15Å; L122-L129 HydrophobicContact CD1-CD2 3.92Å; L122-L129 HydrophobicContact CG-CD2 4.19Å; L129-V138 HydrophobicContact CD2-CB 4.34Å; L129-V138 HydrophobicContact CD2-CG2 4.24Å; L129-L139 HydrophobicContact CD1-CD1 4.06Å; L129-L139 HydrophobicContact CD1-CD2 3.94Å; L129-L139 HydrophobicContact CD1-CG 4.29Å; L129-L139 HydrophobicContact CD2-CD2 4.27Å; L129-L145 HydrophobicContact CD1-CD1 3.93Å; L129-L145 HydrophobicContact CD1-CD2 4Å
130D93.3Very high91.6Very high68 Ų6857.2 Ų57.236%0.36431%0.311SS..PPolyproline II helixtrans-79.1151.6174.3-144.1-38.1000109.4I23 D132 D133 R1299I23-D130 WeakPolarHBondContact CB-O 3.25Å; D130-D132 PolarHBondContact O-N 3.22Å; D130-D133 PolarHBondContact N-OD2 3.39Å; D130-D133 VanDerWaalsContact N-OD2 3.1Å; D130-D133 PolarHBondContact O-N 3.48Å; D130-R1299 IonicContact OD2-NH2 3.73Å; D130-R1299 PolarHBondContact OD2-NH2 2.89Å
131W93.3Very high90.8Very high37 Ų3761.6 Ų61.614%0.1434%0.335CS..THydrogen-bonded Turntrans-69.1-24.8-167.3-78.2110.3000113.9I23 R24 A27 V117I23-W131 HydrophobicContact CG2-CE3 4.18Å; I23-W131 HydrophobicContact CG2-CZ3 4.44Å; R24-W131 HydrophobicContact CB-CE3 4.08Å; R24-W131 WeakPolarHBondContact CB-O 3.45Å; R24-W131 PolarHBondContact N-O 2.93Å; A27-W131 HydrophobicContact CB-CH2 3.94Å; A27-W131 HydrophobicContact CB-CZ3 3.56Å; V117-W131 HydrophobicContact CB-CH2 4.34Å; V117-W131 HydrophobicContact CG1-CH2 3.75Å; V117-W131 HydrophobicContact CG1-CZ2 4.28Å
132D94.4Very high89.7Confident113 Ų11371.4 Ų71.460%0.60437%0.368SS*.THydrogen-bonded Turntrans-106.14.8-172-50.8-30.6000111.9R24 D130R24-D132 IonicContact NE-OD1 3.5Å; R24-D132 IonicContact NH2-OD1 3.83Å; D130-D132 PolarHBondContact O-N 3.22Å
133D95.2Very high89.4Confident59 Ų5971.9 Ų71.932%0.31637%0.371SS..SBendtrans-68.7151.5168.1-69.8-34.3000110.8L22 I23 D130 V138L22-D133 CarbonylContact C-O 3.58Å; L22-D133 VanDerWaalsContact CA-O 3.31Å; L22-D133 WeakPolarHBondContact CA-O 3.11Å; I23-D133 HydrophobicContact CG1-CB 3.94Å; I23-D133 PolarHBondContact N-O 3.27Å; D130-D133 PolarHBondContact N-OD2 3.39Å; D130-D133 VanDerWaalsContact N-OD2 3.1Å; D130-D133 PolarHBondContact O-N 3.48Å; D133-V138 HydrophobicContact CB-CG1 4.29Å; D133-V138 HydrophobicContact CB-CG2 4.06Å
134R94.8Very high89.5Confident125 Ų12572.8 Ų72.847%0.47237%0.368SS..BIsolated β-bridgetrans-85.6142.3169.7-52.5-178-178.9-80-1.5110.8S20 I21 L22 A136 D137 V138S20-R134 PolarHBondContact O-NH1 2.97Å; S20-R134 VanDerWaalsContact O-NH1 3.15Å; I21-R134 WeakPolarHBondContact O-CA 3.22Å; L22-R134 HydrophobicContact CD2-CG 4.27Å; R134-A136 VanDerWaalsContact C-N 3.26Å; R134-A136 PolarHBondContact O-N 2.88Å; R134-D137 HydrophobicContact CB-CB 4.33Å; R134-D137 WeakPolarHBondContact CB-OD2 3.28Å; R134-D137 WeakPolarHBondContact CD-OD2 3.47Å; R134-D137 WeakPolarHBondContact CG-OD2 3.33Å; R134-D137 PolarHBondContact O-N 3.02Å; R134-V138 WeakPolarHBondContact O-CG2 3.49Å
135V95.1Very high90.1Very high0 Ų065.9 Ų65.90%034%0.343CS..Hα-helixtrans-54.2-40.5177.6164.40000112.6M1 V3 C16 G19 I21 I23 L26 D137 L139M1-V135 HydrophobicContact CE-CG1 3.49Å; M1-V135 VanDerWaalsContact CE-CG1 3.49Å; M1-V135 HydrophobicContact SD-CG1 3.84Å; V3-V135 HydrophobicContact CG2-CG1 4.18Å; C16-V135 HydrophobicContact CB-CG1 4.06Å; G19-V135 PolarHBondContact O-N 3.32Å; I21-V135 HydrophobicContact CD1-CG2 4.03Å; I21-V135 HydrophobicContact CG1-CB 3.98Å; I21-V135 HydrophobicContact CG1-CG2 3.7Å; I21-V135 PolarHBondContact O-N 3.38Å; I23-V135 HydrophobicContact CD1-CG2 3.88Å; L26-V135 HydrophobicContact CB-CG2 3.97Å; L26-V135 HydrophobicContact CD1-CG2 4.27Å; L26-V135 HydrophobicContact CD2-CG2 4.03Å; L26-V135 HydrophobicContact CG-CG2 4.32Å; V135-D137 VanDerWaalsContact C-N 3.32Å; V135-D137 PolarHBondContact O-N 3.11Å; V135-L139 HydrophobicContact CG1-CD1 4.35Å; V135-L139 WeakPolarHBondContact O-CB 3.24Å; V135-L139 PolarHBondContact O-N 3.38Å
136A92.8Very high90.7Very high50 Ų5066.3 Ų66.341%0.41334%0.344SS..Hα-helixtrans-69.9-21.2178.300000115M1 G19 R134M1-A136 HydrophobicContact SD-CB 3.99Å; G19-A136 WeakPolarHBondContact O-CB 3.35Å; G19-A136 PolarHBondContact O-N 2.71Å; R134-A136 VanDerWaalsContact C-N 3.26Å; R134-A136 PolarHBondContact O-N 2.88Å
137D93.1Very high91.2Very high117 Ų11764.7 Ų64.763%0.62633%0.326SS*.Hα-helixtrans-86.6-20.5-176-61.2-19.4000111.8R134 V135R134-D137 HydrophobicContact CB-CB 4.33Å; R134-D137 WeakPolarHBondContact CB-OD2 3.28Å; R134-D137 WeakPolarHBondContact CD-OD2 3.47Å; R134-D137 WeakPolarHBondContact CG-OD2 3.33Å; R134-D137 PolarHBondContact O-N 3.02Å; V135-D137 VanDerWaalsContact C-N 3.32Å; V135-D137 PolarHBondContact O-N 3.11Å
138V92.6Very high91.4Very high45 Ų4568.4 Ų68.427%0.27334%0.342SS..Hα-helixtrans-127.3-10.5-173.8-68.10000116I23 L129 D133 R134I23-V138 HydrophobicContact CD1-CG2 3.99Å; I23-V138 HydrophobicContact CG1-CG2 4.25Å; L129-V138 HydrophobicContact CD2-CB 4.34Å; L129-V138 HydrophobicContact CD2-CG2 4.24Å; D133-V138 HydrophobicContact CB-CG1 4.29Å; D133-V138 HydrophobicContact CB-CG2 4.06Å; R134-V138 WeakPolarHBondContact O-CG2 3.49Å
139L91.2Very high91.5Very high11 Ų1165.2 Ų65.26%0.05832%0.324CS..  trans-131.2145.8-176.4-59.5174.1000114.2M1 V3 I23 L26 L122 L129 V135 L145M1-L139 HydrophobicContact CE-CB 4.14Å; M1-L139 WeakPolarHBondContact CE-O 3.43Å; V3-L139 HydrophobicContact CG1-CD1 4.34Å; V3-L139 HydrophobicContact CG2-CD1 4.29Å; I23-L139 HydrophobicContact CD1-CD1 4.04Å; L26-L139 HydrophobicContact CD2-CD1 4.12Å; L122-L139 HydrophobicContact CD1-CD2 4.42Å; L122-L139 HydrophobicContact CD2-CD2 3.63Å; L122-L139 HydrophobicContact CG-CD2 4.03Å; L129-L139 HydrophobicContact CD1-CD1 4.06Å; L129-L139 HydrophobicContact CD1-CD2 3.94Å; L129-L139 HydrophobicContact CD1-CG 4.29Å; L129-L139 HydrophobicContact CD2-CD2 4.27Å; V135-L139 HydrophobicContact CG1-CD1 4.35Å; V135-L139 WeakPolarHBondContact O-CB 3.24Å; V135-L139 PolarHBondContact O-N 3.38Å; L139-L145 HydrophobicContact CD1-CD1 3.86Å; L139-L145 HydrophobicContact CD1-CD2 4.42Å; L139-L145 HydrophobicContact CD2-CD2 3.8Å
140D88.4Confident91.3Very high107 Ų10769 Ų6957%0.57234%0.338SS*.  trans-87.6159.9168.6-74.5-61.3000113.5R124 R142 E143R124-D140 IonicContact NH1-OD2 3.43Å; D140-R142 PolarHBondContact O-N 2.97Å; D140-E143 HydrophobicContact CB-CG 3.75Å; D140-E143 PolarHBondContact N-OE2 3.2Å; D140-E143 VanDerWaalsContact N-OE2 3.09Å; D140-E143 PolarHBondContact O-N 2.78Å
141D77.6Confident91Very high92 Ų9271.3 Ų71.349%0.49235%0.345SS..THydrogen-bonded Turntrans-61.97.7-176.1-122.996000116.4M1 K2M1-D141 WeakPolarHBondContact CA-OD1 3.18Å; M1-D141 WeakPolarHBondContact CA-OD2 3.37Å; M1-D141 WeakPolarHBondContact CG-OD1 3.32Å; M1-D141 PolarHBondContact N-OD1 2.8Å; M1-D141 PolarHBondContact N-OD2 3.16Å; K2-D141 PolarHBondContact N-OD2 3.48Å; K2-D141 CarbonylContact O-C 3.59Å
142R72Confident90.4Very high234 Ų23472.2 Ų72.288%0.88335%0.349SS*.THydrogen-bonded Turntrans-143.26.6-176.8-61.9-172.7-178179.61.8114.4D140D140-R142 PolarHBondContact O-N 2.97Å
143E85.6Confident88.8Confident21 Ų2172.5 Ų72.510%0.09836%0.355CS..  trans-72.3151.9-170.9-58.3-143.983.500113.5T4 L122 R124 D140T4-E143 PolarHBondContact N-O 2.77Å; L122-E143 HydrophobicContact CD2-CB 4.36Å; L122-E143 WeakPolarHBondContact CD2-OE1 3.5Å; R124-E143 VanDerWaalsContact CD-OE1 3.29Å; R124-E143 WeakPolarHBondContact CD-OE1 3.41Å; R124-E143 IonicContact CZ-OE1 3.89Å; R124-E143 VanDerWaalsContact CZ-OE1 3.24Å; R124-E143 IonicContact CZ-OE2 3.13Å; R124-E143 IonicContact NE-OE1 2.91Å; R124-E143 PolarHBondContact NE-OE1 3.27Å; R124-E143 IonicContact NH1-OE1 2.83Å; R124-E143 PolarHBondContact NH1-OE1 2.88Å; R124-E143 IonicContact NH1-OE2 2.88Å; R124-E143 PolarHBondContact NH1-OE2 3.49Å; R124-E143 IonicContact NH2-OE2 3.28Å; D140-E143 HydrophobicContact CB-CG 3.75Å; D140-E143 PolarHBondContact N-OE2 3.2Å; D140-E143 VanDerWaalsContact N-OE2 3.09Å; D140-E143 PolarHBondContact O-N 2.78Å
144L92.4Very high86.4Confident64 Ų6475 Ų7534%0.33538%0.377SS..EExtended strand (participates in β ladder)trans-109.2120.3178.2-163.2118.4000108T4 A123T4-L144 HydrophobicContact CG2-CD1 3.84Å; T4-L144 HydrophobicContact CG2-CG 4.49Å; T4-L144 CarbonylContact O-C 3.54Å; T4-L144 WeakPolarHBondContact O-CA 3.49Å; A123-L144 HydrophobicContact CB-CB 4.21Å; A123-L144 HydrophobicContact CB-CD2 3.67Å; A123-L144 WeakPolarHBondContact CB-O 3.38Å; A123-L144 PolarHBondContact N-O 3.39Å
145L96.3Very high83.5Confident0 Ų076.8 Ų76.80%040%0.396CS..EExtended strand (participates in β ladder)trans-103.8145.9175.7-56.6-175.7000110V3 T4 V5 C6 L26 L120 T121 L122 L129 L139V3-L145 HydrophobicContact CG1-CD1 3.86Å; V3-L145 HydrophobicContact CG1-CG 3.95Å; T4-L145 PolarHBondContact O-N 3.27Å; V5-L145 HydrophobicContact CG1-CB 4.49Å; V5-L145 HydrophobicContact CG2-CB 4.47Å; V5-L145 HydrophobicContact CG2-CD1 4.46Å; C6-L145 WeakPolarHBondContact CB-O 3.23Å; C6-L145 PolarHBondContact N-O 3.35Å; L26-L145 HydrophobicContact CD2-CD1 3.6Å; L120-L145 HydrophobicContact CD1-CD1 4.45Å; L120-L145 HydrophobicContact CD2-CB 3.96Å; L120-L145 HydrophobicContact CD2-CD1 3.87Å; T121-L145 CarbonylContact O-C 3.31Å; T121-L145 VanDerWaalsContact O-CA 3.28Å; T121-L145 WeakPolarHBondContact O-CA 3.35Å; L122-L145 HydrophobicContact CD2-CD2 3.98Å; L122-L145 HydrophobicContact CG-CD2 4.09Å; L129-L145 HydrophobicContact CD1-CD1 3.93Å; L129-L145 HydrophobicContact CD1-CD2 4Å; L139-L145 HydrophobicContact CD1-CD1 3.86Å; L139-L145 HydrophobicContact CD1-CD2 4.42Å; L139-L145 HydrophobicContact CD2-CD2 3.8Å
146I95.8Very high80.5Confident82 Ų8280.4 Ų80.442%0.42143%0.425SS..EExtended strand (participates in β ladder)trans-102.9130.6168.3-59.6168.2000106.5T121 A123T121-I146 PolarHBondContact N-O 2.81Å; T121-I146 PolarHBondContact O-N 2.61Å; T121-I146 PolarHBondContact OG1-O 3.36Å; A123-I146 HydrophobicContact CB-CD1 4.01Å; A123-I146 HydrophobicContact CB-CG1 4.05Å
147V95.2Very high77.4Confident5 Ų584.2 Ų84.23%0.0345%0.449CS..EExtended strand (participates in β ladder)trans-94.1127.6171162.40000109V5 C6 F7 V117 L120 F149V5-V147 HydrophobicContact CG1-CB 4.45Å; V5-V147 HydrophobicContact CG1-CG2 3.32Å; C6-V147 PolarHBondContact O-N 3.19Å; F7-V147 HydrophobicContact CD1-CB 3.97Å; F7-V147 HydrophobicContact CD1-CG1 3.67Å; F7-V147 HydrophobicContact CD1-CG2 4.37Å; F7-V147 HydrophobicContact CE1-CB 4Å; F7-V147 HydrophobicContact CE1-CG1 3.59Å; F7-V147 HydrophobicContact CE1-CG2 3.97Å; F7-V147 HydrophobicContact CE2-CG2 4.32Å; F7-V147 HydrophobicContact CG-CB 4.37Å; F7-V147 HydrophobicContact CZ-CB 4.42Å; F7-V147 HydrophobicContact CZ-CG1 4.38Å; F7-V147 HydrophobicContact CZ-CG2 3.94Å; V117-V147 HydrophobicContact CG1-CG1 3.93Å; V117-V147 HydrophobicContact CG2-CG1 4.12Å; L120-V147 HydrophobicContact CD2-CG2 3.34Å; L120-V147 HydrophobicContact CG-CG2 4.23Å; V147-F149 HydrophobicContact CG1-CB 3.61Å; V147-F149 HydrophobicContact CG1-CD1 3.76Å; V147-F149 HydrophobicContact CG1-CG 3.88Å
148N93.2Very high74.3Confident95 Ų9582.6 Ų82.651%0.50845%0.447SS..EExtended strand (participates in β ladder)trans-91.7122.6158.8-170.110000108.6D118 S119D118-N148 PolarHBondContact N-O 3.34Å; S119-N148 PolarHBondContact N-O 3.22Å; S119-N148 PolarHBondContact O-N 3.31Å
149F94.2Very high71.2Confident30 Ų3086.6 Ų86.613%0.13248%0.477CS..EExtended strand (participates in β ladder)trans-148.1152.4-173.668.8-58.2000111.5F7 D8 F34 Y115 E116 V117 V147F7-F149 HydrophobicContact CB-CE1 4.01Å; F7-F149 HydrophobicContact CB-CZ 3.93Å; F7-F149 HydrophobicContact CD1-CD1 4.14Å; F7-F149 HydrophobicContact CD1-CD2 4.1Å; F7-F149 HydrophobicContact CD1-CE1 4.2Å; F7-F149 HydrophobicContact CD1-CE2 4.15Å; F7-F149 HydrophobicContact CD1-CG 4.11Å; F7-F149 HydrophobicContact CD1-CZ 4.21Å; D8-F149 WeakPolarHBondContact OD2-CZ 3.45Å; F34-F149 AromaticContact CE1-CE2 3.71Å; F34-F149 HydrophobicContact CE1-CE2 3.71Å; F34-F149 HydrophobicContact CE1-CZ 4.31Å; F34-F149 AromaticContact CZ-CE2 3.81Å; F34-F149 HydrophobicContact CZ-CE2 3.81Å; F34-F149 AromaticContact CZ-CZ 3.96Å; F34-F149 HydrophobicContact CZ-CZ 3.96Å; Y115-F149 AromaticContact CD1-CD2 3.64Å; Y115-F149 HydrophobicContact CD1-CD2 3.64Å; Y115-F149 AromaticContact CD1-CE2 3.65Å; Y115-F149 HydrophobicContact CD1-CE2 3.65Å; Y115-F149 HydrophobicContact CE1-CD2 4.33Å; Y115-F149 AromaticContact CE1-CE2 3.87Å; Y115-F149 HydrophobicContact CE1-CE2 3.87Å; Y115-F149 HydrophobicContact CG-CD2 4.26Å; Y115-F149 HydrophobicContact CG-CE2 4.45Å; E116-F149 WeakPolarHBondContact O-CA 3.38Å; E116-F149 WeakPolarHBondContact O-CB 3.37Å; V117-F149 HydrophobicContact CG2-CB 4.42Å; V147-F149 HydrophobicContact CG1-CB 3.61Å; V147-F149 HydrophobicContact CG1-CD1 3.76Å; V147-F149 HydrophobicContact CG1-CG 3.88Å
150R91Very high68.3Low95 Ų9590.4 Ų90.436%0.35850%0.5SS..EExtended strand (participates in β ladder)trans-116.1151171.155.6167.5162.6-82.9-11.4110.5Y115 E116 D118 K152Y115-R150 WeakPolarHBondContact CA-O 3.34Å; E116-R150 HydrophobicContact CB-CG 4.09Å; E116-R150 PolarHBondContact N-O 2.81Å; E116-R150 PolarHBondContact O-N 2.79Å; E116-R150 IonicContact OE1-CZ 2.69Å; E116-R150 IonicContact OE1-NE 2.68Å; E116-R150 IonicContact OE1-NH2 3.55Å; E116-R150 PolarHBondContact OE1-NH2 2.93Å; E116-R150 IonicContact OE2-CZ 3.77Å; E116-R150 IonicContact OE2-NE 3.24Å; E116-R150 PolarHBondContact OE2-NE 2.92Å; E116-R150 IonicContact OE2-NH2 3.91Å; E116-R150 PolarHBondContact OE2-NH2 3.23Å; D118-R150 IonicContact OD1-CZ 3.25Å; D118-R150 IonicContact OD1-NH1 2.64Å; D118-R150 PolarHBondContact OD1-NH1 2.99Å; D118-R150 IonicContact OD1-NH2 2.97Å; D118-R150 PolarHBondContact OD1-NH2 2.79Å; D118-R150 IonicContact OD2-CZ 2.67Å; D118-R150 IonicContact OD2-NH1 3.5Å; D118-R150 PolarHBondContact OD2-NH1 3.45Å; D118-R150 IonicContact OD2-NH2 3.82Å; R150-K152 PolarHBondContact O-N 3.45Å
151K87.2Confident65.3Low116 Ų11689 Ų8950%0.50450%0.503SS..EExtended strand (participates in β ladder)trans-68.3127.4158.4-159.1178-175.3178.10108D114 Y115 T153D114-K151 VanDerWaalsContact CG-CE 3.49Å; D114-K151 CarbonylContact O-C 3.57Å; D114-K151 WeakPolarHBondContact O-CA 3.42Å; D114-K151 WeakPolarHBondContact O-CG 3.47Å; D114-K151 WeakPolarHBondContact OD2-CE 3.45Å; D114-K151 IonicContact OD2-NZ 2.73Å; D114-K151 PolarHBondContact OD2-NZ 3.24Å; Y115-K151 HydrophobicContact CD1-CB 4.2Å; Y115-K151 HydrophobicContact CD1-CG 4.24Å; Y115-K151 HydrophobicContact CE1-CB 4.18Å; Y115-K151 HydrophobicContact CE1-CG 4.1Å; K151-T153 PolarHBondContact O-N 2.97Å
152K80.4Confident62.9Low55 Ų5590.9 Ų90.924%0.23952%0.521CS..  trans-60.6108.8167.6-67.5-178.2-167153.70106.9I111 S113 D114 Y115 E116 R150 S154I111-K152 PolarHBondContact O-NZ 3.42Å; I111-K152 VanDerWaalsContact O-NZ 3.08Å; S113-K152 VanDerWaalsContact O-CD 3.26Å; S113-K152 WeakPolarHBondContact O-CD 3.27Å; S113-K152 VanDerWaalsContact O-CE 3.29Å; S113-K152 WeakPolarHBondContact O-CE 3.37Å; S113-K152 PolarHBondContact O-NZ 3.49Å; D114-K152 PolarHBondContact O-N 3.26Å; Y115-K152 VanDerWaalsContact O-CE 3.27Å; Y115-K152 WeakPolarHBondContact O-CE 3.24Å; E116-K152 HydrophobicContact CB-CG 3.87Å; R150-K152 PolarHBondContact O-N 3.45Å; K152-S154 PolarHBondContact O-N 3.49Å
153T60.8Low60.7Low119 Ų11985.8 Ų85.873%0.7351%0.509SS*.  trans-64.4108.4169.240.40000107.8K151 L155K151-T153 PolarHBondContact O-N 2.97Å; T153-L155 PolarHBondContact O-N 2.78Å
154S45.5Very low57.9Low111 Ų11191.1 Ų91.178%0.77654%0.544SS*.  trans-68.785.717456.70000108.6K152 A156K152-S154 PolarHBondContact O-N 3.49Å; S154-A156 PolarHBondContact O-N 3Å
155L33.4Very low54.7Low164 Ų16493.4 Ų93.486%0.85956%0.56SS**  trans-64.475165-87.8147.2000108.7T153 S157T153-L155 PolarHBondContact O-N 2.78Å; L155-S157 PolarHBondContact O-N 2.95Å
156A31.6Very low51.4Low75 Ų7599.4 Ų99.462%0.6260%0.597SS**  trans-55.1134160.900000107.8S154 S158S154-A156 PolarHBondContact O-N 3Å; A156-S158 PolarHBondContact O-N 3.04Å
157S27.2Very low48.2Very low130 Ų130102.7 Ų102.791%0.90961%0.614SS**SBendtrans-59.295.9178.251.60000110.7L155L155-S157 PolarHBondContact O-N 2.95Å
158S29.1Very low45Very low83 Ų83108 Ų10858%0.5865%0.648SS**  trans-151.872.5-173.4-177.30000111.5A156 V160A156-S158 PolarHBondContact O-N 3.04Å; S158-V160 PolarHBondContact O-N 3.22Å; S158-V160 VanDerWaalsContact OG-CG2 3.31Å; S158-V160 WeakPolarHBondContact OG-CG2 3.4Å
159S26.2Very low42Very low129 Ų129112.3 Ų112.390%0.90266%0.662SS**  trans-69.783.2160.454.40000109.2
160V31.1Very low38.9Very low92 Ų92119 Ų11956%0.55869%0.694SS**  trans-129109.1-175.8173.50000109.6S158 I163S158-V160 PolarHBondContact O-N 3.22Å; S158-V160 VanDerWaalsContact OG-CG2 3.31Å; S158-V160 WeakPolarHBondContact OG-CG2 3.4Å; V160-I163 HydrophobicContact CG1-CD1 3.74Å; V160-I163 HydrophobicContact CG1-CG1 3.89Å
161A25.5Very low35.8Very low77 Ų77121.3 Ų121.364%0.63671%0.713SS**  trans-64158.8164.800000110.4I163A161-I163 PolarHBondContact O-N 3.39Å
162P26.2Very low32.9Very low132 Ų132124.2 Ų124.286%0.85773%0.725SS**  trans-57.6124.1-175.823-34.6000112
163I27.3Very low30.5Very low126 Ų126128.7 Ų128.765%0.64675%0.752SS**  trans-96.8106.2179.8-55.7179.7000109.3V160 A161 V165V160-I163 HydrophobicContact CG1-CD1 3.74Å; V160-I163 HydrophobicContact CG1-CG1 3.89Å; A161-I163 PolarHBondContact O-N 3.39Å; I163-V165 HydrophobicContact CG2-CG2 3.7Å
164T26.4Very low29Very low133 Ų133128 Ų12882%0.81675%0.752SS**  trans-92.6123.5156.8-55.10000108.1
165V25.5Very low28.1Very low112 Ų112127.4 Ų127.468%0.67975%0.748SS**  trans-96.5128.4179.8-179.30000109.9I163I163-V165 HydrophobicContact CG2-CG2 3.7Å
166T26.3Very low27.9Very low127 Ų127128.7 Ų128.778%0.77975%0.747SS**  trans-140.2140.3162.6-41.60000110.3
167I28.4Very low27.8Very low151 Ų151132.3 Ų132.377%0.77476%0.756SS**  trans-104.7133-175.3-58.5167.8000108.8
168P28.3Very low27.9Very low115 Ų115134.2 Ų134.275%0.74775%0.75SS**  trans-92.713917734.4-32.1000112.7
169K30.1Very low28.4Very low186 Ų186134.8 Ų134.881%0.80975%0.752SS**  trans-161.8101.6149.8-123-176.4178.6-167.20114.8
170E30Very low28.7Very low172 Ų172137.8 Ų137.880%0.80475%0.749SS**  trans58.3-179.2143.1-63177.9132.400119.8
171L26.1Very low28.6Very low142 Ų142144.1 Ų144.174%0.74376%0.763SS**  trans-119.3151.5-146.7-87.975.1000114.8
172K25.9Very low28.8Very low177 Ų177146.3 Ų146.377%0.7776%0.763SS**  trans63.5136.8150.3-70174.1177.8-177.30116.9
173D29Very low29Very low149 Ų149146.5 Ų146.580%0.79775%0.753SS**  -158.8-169.761.6-112.9-30.1000115.3
174S29.1Very low29.1Very low106 Ų106145.1 Ų145.174%0.74175%0.754SS**  trans-55175.6174.3480000116.8
175S28.5Very low29.3Very low98 Ų98143.7 Ų143.769%0.68574%0.741SS**  cis-177.5150.1-20168.90000108.9
176F27.3Very low29.5Very low190 Ų190147 Ų14783%0.83375%0.747SS**  trans30.1131.7157.5-81.8-107.6000121.5
177D30.5Very low29.6Very low152 Ų152145 Ų14581%0.81374%0.738SS**  -16517590.8-135-34.1000114.5
178H28.7Very low29.4Very low170 Ų170142.7 Ų142.779%0.78774%0.736SS**  trans-116.5-163.7-171.5-122.3-9.4000111
179P40.1Very low29.2Very low95 Ų95141.4 Ų141.462%0.61773%0.729SS**  cis-146.1-172.615.946.8-27.1000118.2
180K32.3Very low28.9Very low192 Ų192136.9 Ų136.984%0.83572%0.721SS**  trans69.1117.4162-64.4170.9-173.91760116.9
181R29.7Very low28.8Very low225 Ų225136.1 Ų136.185%0.84972%0.722SS**  cis71.7137.823.3-140.6-165.9-176.6-159.5-0.4113
182L28.5Very low28.7Very low122 Ų122136.2 Ų136.264%0.63972%0.722SS**  cis-120175.58.4-57.3139.4000109.7
183Q30.8Very low28.7Very low137 Ų137134.1 Ų134.164%0.6472%0.719SS**  cis-157.6-165.4-6.1-132171.5-63.900106.2D185Q183-D185 PolarHBondContact NE2-OD2 3.03Å
184S30.2Very low28.5Very low96 Ų96133.4 Ų133.467%0.67172%0.715SS**  cis-167.3150.5-4.537.10000107.7
185D29.6Very low28.3Very low104 Ų104133.2 Ų133.256%0.55671%0.714SS**  cis-151.7138.4-18.6-99.2-35.6000109.6Q183Q183-D185 PolarHBondContact NE2-OD2 3.03Å
186F29.4Very low28.2Very low180 Ų180133.5 Ų133.579%0.78972%0.716SS**  trans42.692.9163.3-62.8-78.8000120.8
187S28.4Very low28.4Very low87 Ų87132 Ų13261%0.60872%0.716SS**  8.2142.1114.564.10000117.6
188S25Very low28.2Very low102 Ų102131.3 Ų131.371%0.71371%0.712SS**  53.7154.957.2108.70000112
189S24.3Very low28.3Very low88 Ų88128.8 Ų128.862%0.61570%0.701SS**  cis-178.3-176.3-3.840.80000106.7
190S24.5Very low27.7Very low90 Ų90130.5 Ų130.563%0.62971%0.709SS**  trans64.9132.5154.936.70000118
191N26.6Very low27.3Very low156 Ų156129.6 Ų129.683%0.83471%0.705SS**  70.2161.554.3-67.9-7.7000114.2
192I25.5Very low27Very low144 Ų144127.9 Ų127.974%0.73870%0.704SS**  trans87.598.1-179.9-53.9173.9000110.8
193N24.3Very low27Very low134 Ų134129.3 Ų129.372%0.71771%0.713SS**  74.2149.175.2-68.746000111.7
194D25.8Very low26.7Very low133 Ų133132.7 Ų132.771%0.71172%0.721SS**  cis-161.3178.21.7-128.8-48.1000110.9
195S24.6Very low26.8Very low102 Ų102132 Ų13271%0.71371%0.714SS**  trans134.2104.6139.971.10000119.8
196S27.3Very low26.7Very low104 Ų104135.9 Ų135.973%0.72773%0.727SS**  trans39.9127.2135.464.20000123.5
197L30.7Very low26.4Very low160 Ų160131.8 Ų131.884%0.83872%0.72SS**  -160.9166.5105.4-145.267.8000113.1
198N26.9Very low26.4Very low137 Ų137134.7 Ų134.773%0.73373%0.729SS**  trans-76.6152.5179.2-53.3-79.6000113.7
199Q31.1Very low26.8Very low117 Ų117137.5 Ų137.555%0.54773%0.734SS.*  -174155.7109.5-101.4173.479.600113.7T642 T643Q199-T642 VanDerWaalsContact OE1-CB 3.23Å; Q199-T642 VanDerWaalsContact OE1-CG2 3.28Å; Q199-T643 WeakPolarHBondContact CG-OG1 3.15Å; Q199-T643 PolarHBondContact OE1-OG1 2.92Å
200V26.9Very low27.1Very low130 Ų130138.9 Ų138.979%0.78874%0.735SS**  trans-122.7110.1167.4174.70000109.1
201K24.3Very low27.5Very low174 Ų174141.1 Ų141.176%0.75774%0.74SS**  trans-156.6152.7142.9-136.2177.2-179-175.50110.5
202F23.3Very low27.8Very low188 Ų188136.3 Ų136.383%0.82571%0.714SS**  trans-50.6141.1179.1-71.4-105.2000113.1
203N27.4Very low28.1Very low152 Ų152134.6 Ų134.681%0.81370%0.701SS**  -163125.7129.2-108.23000112.9
204Y25.4Very low28.3Very low209 Ų209133.6 Ų133.682%0.8269%0.691SS**  trans-63.9178.9141.4-87.9-81.8000109.6
205P32.9Very low28.5Very low82 Ų82134.2 Ų134.253%0.53269%0.689SS.*  cis-131.9-152.4-14.119.97.2000111
206F25.5Very low28.8Very low185 Ų185137.8 Ų137.881%0.81169%0.687SS**  trans76.9144.2156.2-55.4-49.8000117.8
207S24.7Very low28.9Very low94 Ų94139.3 Ų139.366%0.65769%0.687SS**  cis-165.1157.8-19.847.70000109.5
208N27.9Very low28.8Very low148 Ų148139.9 Ų139.979%0.79169%0.685SS**  trans-56139.9173.4-60.66.1000111.7
209I34.3Very low28.8Very low161 Ų161139 Ų13983%0.82668%0.678SS**  trans-133.7110.9149.5-66.8-176.2000106.6
210D29.3Very low28.6Very low116 Ų116136.6 Ų136.662%0.6267%0.668SS**  trans-67.2151.1163.7-56.9-86.9000110.1
211N33.1Very low28.8Very low138 Ų138134.4 Ų134.474%0.73866%0.659SS**  173.4142.1105.5-87.7-56.8000114
212D32Very low29Very low55 Ų55129 Ų12929%0.29464%0.643SS.*  trans48.2108.8143.1-75.8-63.3000122.6S256 L257D212-S256 VanDerWaalsContact O-CA 3.31Å; D212-S256 WeakPolarHBondContact O-CA 3.08Å; D212-L257 HydrophobicContact CB-CD2 4.27Å; D212-L257 HydrophobicContact CB-CG 4.14Å; D212-L257 WeakPolarHBondContact OD2-CD2 3.49Å
213K32.4Very low29.5Very low108 Ų108125.9 Ų125.947%0.4765%0.645SS.*  73.2134.995.4-161.3168.6-177.7174.10121.3S256 T258K213-S256 WeakPolarHBondContact O-CA 3.35Å; K213-T258 WeakPolarHBondContact CE-O 3.35Å; K213-T258 WeakPolarHBondContact CG-O 3.45Å
214F28Very low29.7Very low112 Ų112126 Ų12649%0.49164%0.642SS.*  trans66.1150.1160.7-82.9-142.6000116.6
215E31.2Very low30Very low146 Ų146122.6 Ų122.668%0.68264%0.638SS**  cis-135.4-158.1-3-143.2-166.514800113.2
216R31.4Very low30Very low178 Ų178126.3 Ų126.367%0.67265%0.646SS**  trans-97.9156.9-160.3-59.8171.7-175.391.8-3.6114.1
217N28.4Very low30.3Very low135 Ų135126 Ų12672%0.72265%0.647SS**  trans52.2136.6135.2-72.1-12000121.9
218Q29.2Very low30.6Very low172 Ų172127 Ų12780%0.80464%0.644SS**  trans69.8131.6150.8-73.6-176.625.700116.5
219M25.7Very low30.9Very low119 Ų119126.8 Ų126.859%0.58665%0.647SS**  cis-162.2-152.6-12.3-159.2-175.9-149.700105.2
220I26.8Very low30.9Very low66 Ų66124.8 Ų124.834%0.33864%0.643SS.*  trans78.9140.6148.8-57.2136.2000117S247 L248I220-S247 VanDerWaalsContact CG1-CA 3.46Å; I220-L248 VanDerWaalsContact CG1-CA 3.47Å; I220-L248 HydrophobicContact CG2-CD2 4.1Å
221S31.2Very low31.3Very low84 Ų84126.9 Ų126.959%0.58765%0.653SS**  cis-134.1161.813.452.80000114.8
222S28.2Very low31.8Very low60 Ų60124.7 Ų124.742%0.4265%0.646SS.*  trans-115.6154.8174.9480000111.3S246 S247S222-S246 WeakPolarHBondContact CA-OG 3.4Å; S222-S246 WeakPolarHBondContact CB-OG 3.43Å; S222-S246 PolarHBondContact N-OG 3.19Å; S222-S246 PolarHBondContact OG-OG 2.99Å; S222-S247 PolarHBondContact OG-OG 2.85Å
223S35Very low31.9Very low123 Ų123129.7 Ų129.786%0.8667%0.671SS**  trans-101.8145.7162.4-158.30000111.8
224M31.5Very low31.8Very low154 Ų154129.5 Ų129.576%0.75968%0.682SS**  trans-89.4174.2179.1-48.4-18081.800109.4
225N32.5Very low32Very low138 Ų138128.6 Ų128.674%0.73869%0.69SS**  cis-153.9176.717.5-143.9-20.2000112.7
226K30.8Very low32Very low160 Ų160130.4 Ų130.470%0.69670%0.696SS**  trans-101159.3-172.1-55.9169.8-178.2175.10113.2I228K226-I228 HydrophobicContact CB-CD1 3.96Å; K226-I228 HydrophobicContact CB-CG1 4.4Å; K226-I228 HydrophobicContact CD-CD1 4.14Å
227H33.2Very low32Very low180 Ų180129 Ų12983%0.83370%0.701SS**  trans179119.5131.9-97.8-74000107.6
228I30.4Very low32.1Very low115 Ų115127.8 Ų127.859%0.5970%0.701SS**  cis89.2119.434.3-59.3171.8000114.1K226K226-I228 HydrophobicContact CB-CD1 3.96Å; K226-I228 HydrophobicContact CB-CG1 4.4Å; K226-I228 HydrophobicContact CD-CD1 4.14Å
229T35Very low32.1Very low142 Ų142125.7 Ų125.787%0.87170%0.696SS**  trans-159.6132.7157.7-66.40000108.2
230T34.7Very low32.2Very low119 Ų119127.9 Ų127.973%0.7370%0.704SS**  trans-157.8134.4-168-48.60000111.6
231I36Very low32.2Very low161 Ų161129.9 Ų129.983%0.82672%0.72SS**  trans-172.2140.4163.2-103.6149000111.7
232P44.7Very low32Very low92 Ų92131 Ų13160%0.59773%0.728SS**  cis-145.2171.9-25.544.8-28.1000116.7
233I33.7Very low32Very low160 Ų160136 Ų13682%0.82175%0.749SS**  trans60.5129.6142.1-70.3163.3000119.2
234C29.6Very low31.7Very low103 Ų103136.8 Ų136.870%0.69674%0.744SS**  cis-159.3148.40.3-127.40000113.7
235S33.6Very low31.5Very low94 Ų94136.2 Ų136.266%0.65774%0.742SS**  trans42.6137.3143.668.30000122.2
236F31.2Very low31.2Very low184 Ų184131.6 Ų131.681%0.80772%0.72SS**  cis-143.7127.520.6-108.5-88.8000112.7
237L31.4Very low31.1Very low148 Ų148126.8 Ų126.878%0.77571%0.707SS**  trans16.2153.6135.4-60.5165.3000121.3
238C30.2Very low31.2Very low109 Ų109124 Ų12474%0.73670%0.698SS**  cis179.9153.2-23.3-117.20000106.8
239N28.8Very low31.3Very low129 Ų129123.5 Ų123.569%0.6970%0.7SS**  cis71.2131.512.7-77.8-20.8000118.3
240Q28.9Very low31.1Very low164 Ų164122 Ų12277%0.76669%0.692SS**  cis-165.9-153.7-15.4-145-179.590.900110.3
241T26.5Very low30.9Very low109 Ų109121.3 Ų121.367%0.66969%0.693SS**  trans-71.6145.9-167.647.40000119.6
242S25.7Very low30.6Very low106 Ų106118.7 Ų118.774%0.74169%0.689SS**  trans74.2132.4135.565.70000125.3
243L28.4Very low29.9Very low165 Ų165119.3 Ų119.386%0.86470%0.695SS**  trans87.4163.5152.5-67.2168.9000121.6
244N28.3Very low29.7Very low141 Ų141116.8 Ų116.875%0.75469%0.692SS**  trans-120.8166.5-141.2-84.1-49.5000116.8
245I28Very low29.7Very low142 Ų142116.9 Ų116.973%0.72869%0.694SS**  173.5118.6114.1-86.8157.2000114.7
246S27.1Very low29.4Very low40 Ų40115.6 Ų115.628%0.2868%0.684SS.*  trans67.6176.8158.770.80000121.1S222S222-S246 WeakPolarHBondContact CA-OG 3.4Å; S222-S246 WeakPolarHBondContact CB-OG 3.43Å; S222-S246 PolarHBondContact N-OG 3.19Å; S222-S246 PolarHBondContact OG-OG 2.99Å
247S28.4Very low29.2Very low59 Ų59111.6 Ų111.641%0.41367%0.671SS.*  cis-149.1-179.8861.50000112.7I220 S222I220-S247 VanDerWaalsContact CG1-CA 3.46Å; S222-S247 PolarHBondContact OG-OG 2.85Å
248L34Very low29Very low123 Ų123108.8 Ų108.864%0.64466%0.66SS**  cis-141.6144.114-117.8176.4000115.5I220I220-L248 VanDerWaalsContact CG1-CA 3.47Å; I220-L248 HydrophobicContact CG2-CD2 4.1Å
249T34Very low28.8Very low104 Ų104106.8 Ų106.864%0.63865%0.648SS**  trans50.1155.2171.844.10000123.6
250P30.3Very low28.6Very low109 Ų109106.2 Ų106.271%0.70865%0.652SS**  cis-138.8176.8-23.540.8-22.5000117.6
251S29.8Very low28.9Very low105 Ų105103.8 Ų103.873%0.73465%0.654SS**  trans71.4124.8155.649.30000123.7
252S30.7Very low29.4Very low107 Ų107104.2 Ų104.275%0.74866%0.658SS**  trans49.5123.4157.552.30000120.2
253S30.3Very low29.6Very low104 Ų104104.3 Ų104.373%0.72766%0.659SS**  cis81.99335.185.60000116.6
254S28.4Very low29.7Very low108 Ų108104.6 Ų104.676%0.75566%0.658SS**  trans42.6106.9143.360.60000120.2
255S30.9Very low29.8Very low105 Ų105103.2 Ų103.273%0.73465%0.654SS**  171.7130.7113.847.60000113.1
256S27.1Very low29.9Very low66 Ų6699.1 Ų99.146%0.46265%0.648SS.*  trans32.2144146.362.80000123.3D212 K213D212-S256 VanDerWaalsContact O-CA 3.31Å; D212-S256 WeakPolarHBondContact O-CA 3.08Å; K213-S256 WeakPolarHBondContact O-CA 3.35Å
257L25.6Very low29.9Very low100 Ų100108.6 Ų108.652%0.52468%0.677SS.*  trans78.9149.1165.6-72.9155.4000116.9D212D212-L257 HydrophobicContact CB-CD2 4.27Å; D212-L257 HydrophobicContact CB-CG 4.14Å; D212-L257 WeakPolarHBondContact OD2-CD2 3.49Å
258T28.5Very low30Very low90 Ų90112.7 Ų112.755%0.55269%0.693SS**  trans58.3166.6175.259.50000115.7K213K213-T258 WeakPolarHBondContact CE-O 3.35Å; K213-T258 WeakPolarHBondContact CG-O 3.45Å
259S26.3Very low29.7Very low67 Ų67113.4 Ų113.447%0.46970%0.696SS.*  cis-157.9161.1-37.352.70000110.4
260C24Very low29.4Very low117 Ų117113.5 Ų113.579%0.79170%0.7SS**  trans61.5154.6154.5-64.40000122.4
261S35.5Very low29.3Very low113 Ų113115 Ų11579%0.7970%0.702SS**  trans-74.2157.2169.3-39.40000111.7
262P35.8Very low29.4Very low118 Ų118116.6 Ų116.677%0.76671%0.707SS**  -143.8174.495.243.1-28.7000111.8
263S31.4Very low29.4Very low108 Ų108114.8 Ų114.876%0.75571%0.705SS**  cis76.6131.428.8-162.80000116.3
264M29.3Very low29.2Very low170 Ų170116 Ų11684%0.83771%0.709SS**  trans-161.8133.7-177.4-82.9-91.589.100106.3
265T31.1Very low29.1Very low112 Ų112116.1 Ų116.169%0.68771%0.705SS**  cis-160.1150.8-6.7-51.30000106.7
266G29.9Very low29.1Very low57 Ų57119.5 Ų119.559%0.58870%0.703SS**  cis-155.1173.8-0.400000111.2
267R27Very low29.2Very low238 Ų238121.1 Ų121.190%0.89871%0.709SS**  60128.6104.8-61-172.8171.1-160.9-1.7113.7
268I29.1Very low29.4Very low146 Ų146118.8 Ų118.875%0.74970%0.696SS**  -157.413856.1-82.9-177.3000111.7
269I28.6Very low29.4Very low137 Ų137120.1 Ų120.170%0.70370%0.699SS**  trans43.3109.8147.9-57.8173.6000119
270C27.5Very low29.8Very low107 Ų107118.3 Ų118.372%0.72369%0.685SS**  59.1128.7101.7-430000115.5
271D29.3Very low30.1Very low141 Ų141119 Ų11975%0.75467%0.673SS**  -171.2166.568.7-102-33.5000114.9
272T31.3Very low30.1Very low137 Ų137116.5 Ų116.584%0.8465%0.653SS**  trans43.3123.9154.758.80000123.6
273G30.5Very low29.7Very low69 Ų69118.1 Ų118.171%0.71165%0.651SS**  129.4108.2107.500000123
274V26.6Very low29.4Very low131 Ų131117 Ų11779%0.79464%0.642SS**  71.6106.6121.8176.10000122.8
275T26.6Very low29.1Very low110 Ų110116.4 Ų116.468%0.67564%0.637SS**  trans59.7171.214362.60000121.4
276Y30.4Very low28.8Very low176 Ų176118.2 Ų118.269%0.6964%0.638SS**  cis-144.8145.112.7-111.8-87.7000112.3
277V29.6Very low28.6Very low99 Ų99122 Ų12260%0.664%0.64SS**  41.1158.6127.4161.20000122.2
278Q28.6Very low28.6Very low52 Ų52117.9 Ų117.924%0.24363%0.631CS.*  cis177.8-161.2-22.9-159.4-163.6-41.900106.2D481 N508Q278-D481 WeakPolarHBondContact CG-OD1 3.18Å; Q278-D481 PolarHBondContact NE2-OD1 2.99Å; Q278-N508 VanDerWaalsContact NE2-N 3.15Å; Q278-N508 PolarHBondContact NE2-OD1 2.87Å; Q278-N508 VanDerWaalsContact OE1-CA 3.3Å
279L28.9Very low28.4Very low118 Ų118116.4 Ų116.462%0.61863%0.629SS**  trans-131.2-112.2170.8-143.7175000114.7V482L279-V482 HydrophobicContact CB-CG2 3.31Å
280P35.2Very low28.1Very low28 Ų28119.2 Ų119.218%0.18264%0.636CS.*  cis-134.1-149.50.445.9-26.6000115.9N480 D481P280-N480 HydrophobicContact CB-CB 4.49Å; P280-N480 WeakPolarHBondContact CG-OD1 3.38Å; P280-D481 HydrophobicContact CB-CB 4.36Å; P280-D481 VanDerWaalsContact CB-CG 3.46Å; P280-D481 WeakPolarHBondContact CB-OD2 3.34Å; P280-D481 WeakPolarHBondContact CG-OD2 3.39Å
281Y29Very low28.3Very low133 Ų133119 Ų11952%0.52263%0.634SS.*  trans121.899.4154.8-71.6-68.8000119.4N479 N480Y281-N479 HydrophobicContact CD1-CB 4.24Å; Y281-N479 WeakPolarHBondContact CD1-OD1 3.49Å; Y281-N479 HydrophobicContact CE1-CB 4.29Å; Y281-N479 WeakPolarHBondContact CE1-OD1 3.44Å; Y281-N480 WeakPolarHBondContact CD1-OD1 3.48Å; Y281-N480 WeakPolarHBondContact CE1-OD1 3.3Å
282P36.2Very low28.2Very low59 Ų59119.9 Ų119.938%0.38364%0.637SS.*  trans-100.6-116.9172.138.3-39.7000119.2N478 N479 N480P282-N478 PolarHBondContact O-N 3.47Å; P282-N479 WeakPolarHBondContact CG-O 3.44Å; P282-N480 VanDerWaalsContact CD-CA 3.45Å; P282-N480 VanDerWaalsContact CD-N 3.32Å
283Q27.2Very low27.8Very low153 Ų153120.8 Ų120.872%0.71564%0.636SS**  trans-99.6145-140.8-66.5-177.2-2100119.5T477 N478Q283-T477 CarbonylContact C-O 3.15Å; Q283-T477 CarbonylContact O-C 3.57Å; Q283-N478 CarbonylContact O-C 3.39Å; Q283-N478 PolarHBondContact O-N 3.04Å
284C24.5Very low27.6Very low84 Ų84122.9 Ų122.957%0.56864%0.639SS**  trans168.1-179.5135.6-91.40000113.9T477C284-T477 WeakPolarHBondContact CA-O 3.37Å; C284-T477 WeakPolarHBondContact CB-O 3.36Å; C284-T477 PolarHBondContact N-O 3.38Å; C284-T477 PolarHBondContact O-N 3.31Å; C284-T477 PolarHBondContact O-OG1 2.75Å
285Q24.3Very low27.5Very low158 Ų158121.5 Ų121.574%0.73864%0.635SS**  trans-64.6177.1-169.4-60.4150-48.300114T477Q285-T477 PolarHBondContact O-OG1 2.85Å
286E24.9Very low27.5Very low149 Ų149124.2 Ų124.270%0.69664%0.644SS**  cis-170.9168.639.2-143.7-161.4137.300113.6
287Q26.2Very low27.4Very low136 Ų136119.7 Ų119.764%0.63664%0.644SS**  trans65.5165.9159.8-64.6177.82900117.3
288Q25.8Very low27.2Very low152 Ų152120.4 Ų120.471%0.7165%0.653SS**  cis-155.2161.7-10.6-125.1177.851.500111.6
289T25.2Very low27.2Very low115 Ų115124.7 Ų124.771%0.70668%0.676SS**  trans29.9133.5156.146.60000125.6
290F22.5Very low27.1Very low196 Ų196127 Ų12786%0.8668%0.684SS**  trans-37.2172.7143.8-68.8-82.8000117.3
291P32Very low26.9Very low103 Ų103131.5 Ų131.567%0.66971%0.71SS**  cis-138.7-156.2-17.428.9-3.2000113.7
292I25.9Very low27Very low159 Ų159130.1 Ų130.182%0.81572%0.72SS**  trans94.4140.5152-69.6161.8000119.3
293L24.1Very low26.5Very low156 Ų156135.1 Ų135.182%0.81774%0.743SS**  trans-85.5141.6176-71.1141.4000113
294S26.1Very low26.9Very low113 Ų113133.2 Ų133.279%0.7974%0.744SS**  trans-159.8121.1138.5-67.40000106.6
295S23.7Very low27.1Very low102 Ų102133.3 Ų133.371%0.71375%0.745SS**  70.1122.858-58.50000113.5
296I28.4Very low27.4Very low167 Ų167136.5 Ų136.586%0.85675%0.752SS**  trans152.8137.9144.6-81155.3000111
297A27.9Very low27.5Very low82 Ų82133.6 Ų133.668%0.67875%0.749SS**  trans61.1125.8172.300000116.6
298S24.3Very low27.6Very low113 Ų113136 Ų13679%0.7976%0.76SS**  64.8129.962.5-52.20000111.5
299I30.1Very low28.5Very low143 Ų143134.5 Ų134.573%0.73376%0.763SS**  -151.4140.357.2-81.6166.7000112.1
300E26.4Very low28.7Very low167 Ų167135.4 Ų135.478%0.7877%0.771SS**  trans27.1136.3145-48.1172.5151.900120.8
301T30.7Very low28.9Very low121 Ų121135.7 Ų135.774%0.74277%0.772SS**  -168.3149.363.3270000113.5
302S30.1Very low29.6Very low105 Ų105136.4 Ų136.473%0.73478%0.777SS**  trans41.4123.315552.80000120.9
303L26.7Very low29.8Very low164 Ų164133.9 Ų133.986%0.85977%0.771SS**  cis60153.832.7-72.1165.1000116.4
304P35.9Very low30.1Very low112 Ų112134.6 Ų134.673%0.72777%0.769SS**  cis-108.9-141.2-7.419.35.9000110.9
305S27.5Very low30.1Very low86 Ų86139.7 Ų139.760%0.60177%0.771SS**  cis-164.6156.17.4-260000113.2
306Y30.3Very low30.6Very low226 Ų226143 Ų14389%0.88678%0.775SS**  trans49.8145.4158.6-66.9-83.2000122
307S28.7Very low30.9Very low88 Ų88141.1 Ų141.162%0.61577%0.774SS**  cis-174138-28.848.80000113.7
308Q27.8Very low30.9Very low186 Ų186143 Ų14387%0.86978%0.776SS**  trans54132.8144-65.5-175-15.800123.2
309P43.6Very low30.9Very low121 Ų121142.9 Ų142.979%0.78677%0.767SS**  trans-108.4173.9163.741.3-33.6000113.6
310P29.6Very low30.7Very low134 Ų134141 Ų14187%0.8777%0.766SS**  trans-132.1175.7148.636.5-22.8000116
311K27.3Very low30.7Very low201 Ų201141.1 Ų141.187%0.87477%0.769SS**  trans-80.9163.6-159.6-66173.9178.7178.50116.8
312P46.6Very low30.5Very low119 Ų119142.9 Ų142.977%0.77377%0.773SS**  trans-81.1174.1168.337-39000113
313P30.5Very low30.3Very low106 Ų106142.3 Ų142.369%0.68877%0.768SS**  -155172.4123.442.1-25.7000119
314H29Very low30.3Very low171 Ų171141.2 Ų141.279%0.79276%0.759SS**  trans78.7162.1152-66.7-47.8000123.5
315R27.6Very low29.9Very low219 Ų219144.9 Ų144.983%0.82676%0.758SS**  trans-112.3158.7-176.2-80.2177.4163.2-179.7-5.9110.7
316H33.7Very low30Very low173 Ų173147.9 Ų147.980%0.80177%0.766SS**  trans5.4140.6152.1-60.8-69.4000119.5
317P33.9Very low29.9Very low127 Ų127142.4 Ų142.483%0.82576%0.76SS**  -134.9-126.650.738.8-19.4000116.2
318V28Very low30.1Very low120 Ų120142.5 Ų142.573%0.72776%0.76SS**  trans-132.2137.3-146.5-168.60000113
319L25Very low30.3Very low112 Ų112141.8 Ų141.859%0.58676%0.757SS**  162.2163.3128.7-86.8174.2000114L350L319-L350 HydrophobicContact CD2-CD1 3.71Å
320S26.6Very low29.9Very low102 Ų102139.2 Ų139.271%0.71375%0.752SS**  trans-3.7129.9172.650.90000120.5
321M26.3Very low30.1Very low171 Ų171142.2 Ų142.284%0.84276%0.755SS**  85.1134.652.6-92.5-72175.600116.3
322L24.9Very low30.4Very low158 Ų158137.4 Ų137.483%0.82775%0.746SS**  trans68.3147.9171.3-59.7174.4000116.1
323S26Very low29.6Very low92 Ų92136.6 Ų136.664%0.64374%0.742SS**  cis-157.1160.9-9.337.30000109.2
324E27.6Very low29.6Very low141 Ų141138.6 Ų138.666%0.65975%0.747SS**  161.2158.594.8-86.7-149.4-170.200108.8
325R27.1Very low29.5Very low189 Ų189134.9 Ų134.971%0.71374%0.74SS**  cis-168.7170.9-15.3-172.3-165-69.2-124.40.6106.9
326I29.1Very low29.6Very low149 Ų149133.1 Ų133.176%0.76474%0.738SS**  trans78.2117166.3-49.7171.8000113.1
327C29.7Very low29.4Very low112 Ų112132.6 Ų132.676%0.75774%0.741SS**  cis-158.4-172.6-3.8-125.80000108.3
328S32.2Very low29Very low89 Ų89133.9 Ų133.962%0.62274%0.739SS**  cis-153.7-145.38.1-132.90000110.8
329E32.8Very low28.9Very low172 Ų172138.5 Ų138.580%0.80474%0.744SS**  trans-51.5155.2174-5494.4-9500116.2
330G34.7Very low29.1Very low67 Ų67141.8 Ų141.869%0.69175%0.753SS**  cis168.3158.5-6.600000113.1
331E32.8Very low29.1Very low197 Ų197143.9 Ų143.992%0.92176%0.757SS**  trans54.6149.5162-60.5177.2-17400119.4
332S33.6Very low29.2Very low99 Ų99143 Ų14369%0.69276%0.755SS**  cis-169.3165.7-22.555.50000108
333C30.7Very low29.5Very low103 Ų103142.8 Ų142.870%0.69675%0.753SS**  cis-163.6169-31.5-94.40000108.5
334D29.8Very low29.6Very low147 Ų147142.8 Ų142.879%0.78675%0.754SS**  trans64.4141.8151-65.2-35.3000122.1
335C28.3Very low29.7Very low94 Ų94140.8 Ų140.864%0.63576%0.755SS**  cis-163.5173.3-10.5-130.20000115.5
336F29.1Very low29.9Very low182 Ų182141.5 Ų141.580%0.79876%0.764SS**  trans57.595.5156.3-81.9-73.7000125.1
337L28.7Very low29.7Very low162 Ų162143.8 Ų143.885%0.84877%0.771SS**  trans7.7151.4132.8-68.4171.2000124.3
338L26.6Very low29.5Very low153 Ų153142.5 Ų142.580%0.80177%0.768SS**  trans-74.1145.9165.7-80.4161000115.7
339R25.7Very low29.4Very low217 Ų217146.4 Ų146.482%0.81978%0.781SS**  trans67.2105.8137.8-170.9-159.8-61.8-1790.2119.8
340K28.4Very low29.1Very low181 Ų181143.7 Ų143.779%0.78777%0.771SS**  trans-169.3153.5131-101.1159.2-174.61760108.4
341N27.8Very low28.9Very low147 Ų147146.5 Ų146.579%0.78678%0.775SS**  cis62.464.722.4-72.732.2000115.3
342D27.4Very low28.7Very low151 Ų151142.8 Ų142.881%0.80776%0.761SS**  trans-45.7143.5134.6-75.4-43.3000110.5
343I30.8Very low28.5Very low154 Ų154144.9 Ų144.979%0.7977%0.765SS**  cis-126139.8-3.2-68.599.2000105
344S28.9Very low28.6Very low93 Ų93147.9 Ų147.965%0.6577%0.774SS**  -156.1160.850.3-162.30000114.8
345S30.2Very low28.4Very low99 Ų99148.7 Ų148.769%0.69277%0.773SS**  trans20.395.5150.4570000118.1
346K31.2Very low28.5Very low204 Ų204154.7 Ų154.789%0.88779%0.789SS**  69109.882.9-75.6-168.9174.3-178.40116.3
347Q24.3Very low28.3Very low196 Ų196155 Ų15592%0.91679%0.785SS**  trans-114.2153.1140.3-84.6-177.7-10.600106.4
348A25.7Very low28.2Very low85 Ų85153.1 Ų153.170%0.70277%0.773SS**  cis-153.9166.6-10.300000109.5
349I29.3Very low28.2Very low172 Ų172152 Ų15288%0.88277%0.768SS**  trans-132.4141.4152.5-64.7-176.9000106.8
350L26.6Very low28.4Very low115 Ų115149 Ų14960%0.60277%0.767SS**  trans-101.8139.7175.3-70.6152.2000109.3L319L319-L350 HydrophobicContact CD2-CD1 3.71Å
351T31.2Very low28.6Very low126 Ų126145.7 Ų145.777%0.77376%0.762SS**  -178.6129113.431.40000113.3
352N29.2Very low28.9Very low118 Ų118144.8 Ų144.863%0.63176%0.757SS**  trans40.8106.9138.2-51.918.5000120.6
353D28.5Very low29.2Very low144 Ų144145.4 Ų145.477%0.7776%0.755SS**  46.9117.1113.8-45.2-30.5000120.4
354N32.2Very low29.1Very low165 Ų165143.9 Ų143.988%0.88276%0.756SS**  -153.6157.5123.9-107.9-67.4000111.1
355E27.6Very low29.1Very low164 Ų164142.8 Ų142.877%0.76676%0.76SS**  trans-69.9142.3-171.7-59.6179.695.500113.7
356F29Very low29Very low221 Ų221145.2 Ų145.297%0.96976%0.764SS**  trans-141.3146.9139.6-120.8-84.2000110.9
357R26.1Very low28.7Very low189 Ų189142.6 Ų142.671%0.71376%0.755SS**  trans-121.4155.2-157.9-133.4-178.182.1-1725.3112.8
358M26.8Very low28.8Very low121 Ų121143 Ų14360%0.59675%0.75SS**  trans85.4107152.7-53.6-117-72.800120.3
359N26.6Very low28.8Very low130 Ų130146.5 Ų146.570%0.69575%0.752SS**  79.1155.7119.1-67.8-2.5000122.6
360L29.5Very low28.6Very low154 Ų154145 Ų14581%0.80674%0.744SS**  trans68.8107.6160-70.3153.8000114.9
361T32.1Very low28.6Very low111 Ų111149.6 Ų149.668%0.68176%0.756SS**  -163.615751.515.90000114.8
362N33.9Very low28.4Very low129 Ų129148.3 Ų148.369%0.6975%0.752SS**  trans72.6102.7141.6-65.62.2000122.7
363H33.7Very low28.4Very low164 Ų164148.2 Ų148.276%0.75976%0.756SS**  trans105.397.9133.1-73.7-58.8000121.8
364C28.9Very low28.5Very low121 Ų121149.4 Ų149.482%0.81876%0.756SS**  trans70110.8132.4-62.40000119.8
365G28.3Very low28.5Very low70 Ų70147 Ų14772%0.72275%0.748SS**  trans-119.5-137.4149.800000110.1
366L28.7Very low28.9Very low151 Ų151145.4 Ų145.479%0.79175%0.752SS**  trans90.797.4176.5-54.6-176.7000117.5
367E25Very low29Very low149 Ų149139.4 Ų139.470%0.69674%0.743SS**  68.2147.3105.7-74.4-174.5161.500124.8
368Y27.1Very low29.3Very low203 Ų203133 Ų13380%0.79674%0.736SS**  trans76.1162.8148.3-80.4-59.1000122
369E25.4Very low29.5Very low160 Ų160136.3 Ų136.375%0.74875%0.747SS**  trans-97.5179.1-163.9-52.2-179.4113.200113.3
370L25Very low29.6Very low139 Ų139140.8 Ų140.873%0.72875%0.754SS**  trans80.4127.6152.4-67.9171.9000120.5
371Y26Very low29.8Very low213 Ų213138.6 Ų138.684%0.83575%0.75SS**  trans70.9147.3155.9-76.2-69.7000121.7
372S27.8Very low30.2Very low99 Ų99138.5 Ų138.569%0.69275%0.751SS**  trans62.2126173.8-62.50000116.7
373T28.5Very low29.8Very low116 Ų116137.7 Ų137.771%0.71275%0.751SS**  cis65.2135.242.181.80000114
374Q30.5Very low29.5Very low168 Ų168136.5 Ų136.579%0.78575%0.75SS**  cis-157.9154.5-12.1-125170.93.200111.3
375T32.2Very low29.5Very low115 Ų115136.6 Ų136.671%0.70675%0.747SS**  trans5.4141.5155.356.10000120.9
376P34.9Very low29.4Very low130 Ų130138.1 Ų138.184%0.84475%0.747SS**SBend-130.3153.2106.937.2-31.3000112.6
377A32.3Very low29.3Very low96 Ų96136.1 Ų136.179%0.79375%0.745SS**SBendcis-153.3156.1-11.300000108.7
378G31.4Very low29.5Very low55 Ų55136.6 Ų136.657%0.56775%0.751SS**  cis179.3-179.1-400000112.9
379F30.9Very low29.7Very low190 Ų190134.3 Ų134.383%0.83375%0.751SS**  trans62.1113.5172.4-60.1-88.5000117.1
380R29Very low30.1Very low223 Ų223132.8 Ų132.884%0.84275%0.752SS**  77.1152.461.7-86.8-167.5159.2-158.2-2.8114
381P33.9Very low30.3Very low109 Ų109134.4 Ų134.471%0.70875%0.754SS**  cis-134.5-167.7-21.336.6-15.7000112.7
382P40.2Very low30.9Very low109 Ų109130.8 Ų130.871%0.70876%0.756SS**  trans-121.5-154-172.442.7-29.6000114.8
383T26.7Very low30.8Very low111 Ų111130.5 Ų130.568%0.68175%0.75SS**  trans83.2124.8155.841.90000122.9
384N26Very low31Very low140 Ų140134.1 Ų134.175%0.74976%0.757SS**  trans84.5148.8132.5-66.9-4.5000123.9
385T28.7Very low31.1Very low123 Ų123131.7 Ų131.776%0.75575%0.749SS**  trans65.194149.342.20000121.4
386S27.2Very low31.2Very low102 Ų102131.6 Ų131.671%0.71375%0.749SS**  47.4150.9112.762.30000123.2
387S27.4Very low31.2Very low108 Ų108132.5 Ų132.576%0.75574%0.739SS**  trans72.9109.2177.165.90000114.5
388I27.9Very low31.2Very low160 Ų160135.5 Ų135.582%0.82174%0.737SS**  70102.874.1-62.1159.1000111.9
389I31.5Very low31.3Very low154 Ų154139 Ų13979%0.7975%0.748SS**  trans-168.7140.7136.5-104.4159.4000111.2
390T33.7Very low31.3Very low128 Ų128134.6 Ų134.679%0.78574%0.74SS**  trans27.9117.5167.558.70000121.8
391K28.9Very low31.4Very low173 Ų173130.4 Ų130.475%0.75274%0.739SS**  trans-81.6156.5144.2-58.1175.4-179.5-178.80110T393K391-T393 HydrophobicContact CB-CG2 4.02Å; K391-T393 HydrophobicContact CD-CG2 3.81Å
392P40.2Very low31.1Very low137 Ų137129.9 Ų129.989%0.8974%0.738SS**  trans-80.8119.1143.531.9-27.3000109.6
393T25.8Very low30.5Very low93 Ų93132.3 Ų132.357%0.57174%0.744SS**  trans-119.8135.6173.946.10000110.5K391K391-T393 HydrophobicContact CB-CG2 4.02Å; K391-T393 HydrophobicContact CD-CG2 3.81Å
394F32.3Very low30.6Very low192 Ų192133.5 Ų133.584%0.84275%0.751SS**  trans-154.9108.3146.6-95.2-83.4000105.6
395N32.5Very low30.6Very low117 Ų117132 Ų13263%0.62675%0.752SS**  94.8141.679.2-96.91.1000110.8
396T34.7Very low31.1Very low114 Ų114131.2 Ų131.270%0.69975%0.748SS**  cis-142.9158.410.545.20000110.4
397K33.9Very low31Very low149 Ų149133.9 Ų133.965%0.64875%0.754SS**  cis-162.1136.6-9.3-106.7176.4177.5-179.20107.4
398Q33.5Very low31.2Very low158 Ų158133.9 Ų133.974%0.73875%0.749SS**  59.8132.6108.2-59.9177.2-35.700114.9
399T32.3Very low31.4Very low130 Ų130133.9 Ų133.980%0.79875%0.745SS**  cis-149.5169.525.943.30000112.2
400S31.1Very low31.4Very low97 Ų97136 Ų13668%0.67874%0.743SS**  cis178168.4-28.964.80000110.5
401V31.8Very low31.3Very low134 Ų134136.2 Ų136.281%0.81274%0.739SS**  trans72.3138.7154.81660000118.8
402S27.7Very low31.6Very low99 Ų99134.5 Ų134.569%0.69274%0.738SS**  cis-167168.1-26.468.70000111.5
403I26.3Very low31.1Very low160 Ų160139.2 Ų139.282%0.82174%0.738SS**  trans-123.1131162.1-59.3168.2000108
404T28.8Very low31.6Very low135 Ų135140 Ų14083%0.82875%0.745SS**  trans-166.1155.5145.914.80000112.8
405S27.3Very low31.5Very low110 Ų110135 Ų13577%0.76974%0.739SS**  trans-98.7-150.1178.2-39.10000110.3
406P38.3Very low31.9Very low105 Ų105135 Ų13568%0.68275%0.745SS**  cis-148.6-177.425.345.4-23.9000118.9
407L25.1Very low31.7Very low158 Ų158133.8 Ų133.883%0.82775%0.747SS**  trans56.6131.6146.7-75.9157.5000119.4
408V32Very low31.5Very low109 Ų109132.9 Ų132.966%0.66175%0.753SS**  -174.513772.8159.50000110.3
409H31.2Very low31.9Very low159 Ų159130.7 Ų130.774%0.73675%0.753SS**  trans64.2156.4161.6-74-22.4000119.4
410R31.1Very low32.4Very low199 Ų199129.8 Ų129.875%0.75175%0.749SS**  cis-153.21460.3-123.5170.8-170.3-158.62.7111.8
411L33.5Very low32.2Very low133 Ų133129.4 Ų129.470%0.69675%0.752SS**  trans71.1127.1147.8-65.6160.5000123.1
412N33.4Very low32.3Very low137 Ų137130.2 Ų130.273%0.73375%0.751SS**  trans78.996.8134.9-62.8-0.6000123.2
413R30.8Very low32.5Very low235 Ų235132.6 Ų132.689%0.88775%0.75SS**  1.2162.8108.9-96.7-168.2171.7-161.9-0.4118.7
414P36.2Very low32.7Very low111 Ų111132.1 Ų132.172%0.72174%0.744SS**  cis-141.9-170.3-1236-13.4000115.3
415A30.9Very low32.8Very low86 Ų86132.2 Ų132.271%0.71174%0.736SS**  trans-80.5-166.515300000110.1
416P40.6Very low33Very low116 Ų116135.7 Ų135.775%0.75373%0.733SS**  cis-140.8-163.14.444.7-24000115.3
417A29Very low32.7Very low89 Ų89137.7 Ų137.774%0.73673%0.733SS**  trans28.6153.4145.100000121.9
418V31.3Very low33Very low131 Ų131136.6 Ų136.679%0.79472%0.723SS**  -163.3153.753.6171.90000110.2
419P41.6Very low32.7Very low112 Ų112137.5 Ų137.573%0.72773%0.733SS**  trans-94.1-144.1176.142.6-39.8000111.5
420P41.6Very low32.6Very low111 Ų111133 Ų13372%0.72173%0.73SS**  cis-137.4-169.2-16.242.2-23.2000116
421A28.3Very low32.6Very low88 Ų88129.8 Ų129.873%0.72773%0.733SS**  trans73.9160.9155.800000117.7
422L32.7Very low32.4Very low151 Ų151128.4 Ų128.479%0.79173%0.734SS**  cis-141154.720-77.4160.5000113.8
423H31.7Very low32.2Very low149 Ų149126.7 Ų126.769%0.6973%0.733SS**  trans57.4128.5148.7-82.8-114000120.1
424H31.2Very low32Very low150 Ų150123 Ų12369%0.69473%0.73SS**  58133.284.3-70.813000113.3
425Q30.5Very low31.7Very low137 Ų137125.7 Ų125.764%0.6474%0.737SS**  cis-165.8172.315.3-131.4169.5-0.500112.4
426Y31.4Very low31.5Very low183 Ų183129.2 Ų129.272%0.71874%0.739SS**  trans60.1115.1157.5-69.9-64.2000123.9
427H32.7Very low30.9Very low147 Ų147129.9 Ų129.968%0.68174%0.741SS**  trans70.6108.5130.4-83.1-144.7000124.4
428H30.8Very low30.9Very low135 Ų135130.4 Ų130.463%0.62574%0.739SS**  57.6105.9125.3-81-60.2000123.6
429C26.6Very low31Very low128 Ų128131.9 Ų131.987%0.86574%0.742SS**  76119.7116.5-153.70000120.8
430G29.7Very low30.6Very low65 Ų65130.6 Ų130.667%0.6774%0.736SS**  trans173.662.217100000118.4
431T30Very low30.2Very low132 Ų132133 Ų13381%0.8174%0.742SS**  trans38.7129.7149.354.70000123.4
432S29.3Very low31.2Very low103 Ų103133.9 Ų133.972%0.7274%0.74SS**  trans73116.9138.758.70000123.3
433S29.3Very low31.7Very low102 Ų102131.8 Ų131.871%0.71374%0.735SS**  trans73.4117134.661.20000122.8
434L27.3Very low31.6Very low158 Ų158132.7 Ų132.783%0.82775%0.745SS**  trans65.2107.8138.9-62.5170.9000119.5
435L29.2Very low31.7Very low167 Ų167130 Ų13087%0.87475%0.748SS**  -153.7150.3103.9-109.1167.9000111.7
436Q27.2Very low31.7Very low159 Ų159132 Ų13274%0.74376%0.757SS**  trans-78.4159.8162.2-58.7150.9-53.900107.1
437T28.5Very low32.1Very low131 Ų131128.1 Ų128.180%0.80475%0.754SS**  -174.2175.256.233.70000107.1
438S28.8Very low31.8Very low99 Ų99125.3 Ų125.369%0.69275%0.751SS**  cis-167.2161-20.648.90000106.8
439L32.8Very low31.6Very low163 Ų163126.2 Ų126.285%0.85376%0.759SS**  trans-174.8143.2139.1-100.9160.7000112.8
440S32.3Very low31.7Very low85 Ų85125.2 Ų125.259%0.59475%0.749SS**  trans-33.9161.2166.653.50000120.1
441L34.6Very low31.5Very low161 Ų161129 Ų12984%0.84375%0.754SS**  cis-157.8170.8-13-126.688.7000107.9
442P47.8Very low31.6Very low106 Ų106127 Ų12769%0.68875%0.75SS**  trans-95.3-160.3-170.745.1-40.7000111.4
443P44.2Very low31.5Very low107 Ų107128.2 Ų128.270%0.69575%0.753SS**  cis-144.9155.811.141.5-20.4000120.6
444L30.4Very low31.5Very low169 Ų169130.7 Ų130.789%0.88575%0.754SS**  -166.915396.3-94.7162000110.9
445A32.8Very low31.5Very low92 Ų92130.1 Ų130.176%0.7675%0.745SS**  trans-76.9143.5-170.800000112.4
446Q30.8Very low31.5Very low181 Ų181128.8 Ų128.885%0.84674%0.737SS**  cis86.9137.737.4-75.4-113-18.900115.2
447P39.3Very low31.5Very low100 Ų100128.5 Ų128.565%0.64974%0.741SS**  -149174.4-123.446.2-26.5000118.3
448S25.4Very low31.4Very low88 Ų88134.6 Ų134.662%0.61575%0.749SS**  trans17151.2138.775.30000124.6
449I27.1Very low31.3Very low154 Ų154134.4 Ų134.479%0.7975%0.748SS**  trans81.1137.6132.6-84.1165000118.4
450V28.7Very low31.1Very low107 Ų107134 Ų13465%0.64875%0.745SS**  cis-170.6156.5-11.884.60000115.8
451N26.8Very low30.8Very low146 Ų146135.9 Ų135.978%0.78175%0.753SS**  trans62.6151.8149.4-68.3-19.3000127.3
452A30.6Very low30.5Very low89 Ų89134.5 Ų134.574%0.73674%0.744SS**  trans86.9132.4148.700000119.2
453T27.6Very low29.6Very low128 Ų128133.3 Ų133.379%0.78573%0.732SS**  cis-163151.2-8.98.50000111.3
454E29.1Very low29Very low154 Ų154131.4 Ų131.472%0.7272%0.716SS**  trans64.4154.1167.5-60.1-143.312500117.7
455K27.8Very low28.9Very low146 Ų146130 Ų13064%0.63571%0.708SS**  cis-154.4142.1-3.3-128.1177178.982.30110
456I28.1Very low28.8Very low140 Ų140131.2 Ų131.272%0.71870%0.698SS**  trans51.9114.1152.2-58.9165.1000120.9
457N28Very low28.8Very low153 Ų153132.3 Ų132.382%0.81870%0.704SS**  trans28.2116.7145-58-7.9000122.3
458R27.2Very low28.2Very low259 Ų259133 Ų13398%0.97770%0.699SS**  -159.1174.7122-115.5179.1-170-145.62.1112.8
459S26.1Very low28.5Very low95 Ų95135.2 Ų135.266%0.66470%0.704SS**  trans-108.4150.9-165.3550000114.6
460L27.5Very low28.5Very low154 Ų154134.1 Ų134.181%0.80670%0.699SS**  trans64.6128.4151.7-95.884.9000120.4
461V27.3Very low28.6Very low125 Ų125134 Ų13476%0.75870%0.703SS**  53.2125.9122.2169.90000118
462M27.5Very low28.8Very low132 Ų132135.1 Ų135.165%0.6570%0.701SS**  cis-163.7171.14.4-105.6-77.9-12500110.2
463N29.9Very low28.7Very low81 Ų81137.2 Ų137.243%0.43370%0.699SS.*  trans10147.3152.4-55.7-10.7000120.2N545N463-N545 PolarHBondContact O-OD1 3.24Å
464N30.6Very low28.8Very low67 Ų67139.5 Ų139.536%0.35870%0.698SS.*  cis-137.3152.123.5-62.7-84.4000109.9N545N464-N545 WeakPolarHBondContact CB-OD1 3.22Å; N464-N545 PolarHBondContact N-ND2 2.95Å; N464-N545 VanDerWaalsContact N-ND2 3.16Å; N464-N545 PolarHBondContact N-OD1 2.84Å; N464-N545 PolarHBondContact ND2-OD1 3.42Å; N464-N545 VanDerWaalsContact ND2-OD1 3.1Å; N464-N545 PolarHBondContact O-ND2 2.89Å
465L28.7Very low28.8Very low139 Ų139137.4 Ų137.473%0.72870%0.696SS**  cis85.3111.337.2-171.3152.8000113.9
466Q30.7Very low28.9Very low118 Ų118135.7 Ų135.755%0.55169%0.693SS**  trans-172.1112.8143.2-102.8-175.922.700112.9M468Q466-M468 HydrophobicContact CG-CE 4.34Å; Q466-M468 HydrophobicContact CG-CG 3.96Å; Q466-M468 HydrophobicContact CG-SD 4.23Å
467Q31.7Very low29.1Very low204 Ų204131.8 Ų131.895%0.95368%0.676SS**  -123.9118126.5-88.1-164.42.100106.5
468M25.4Very low29.2Very low114 Ų114128.9 Ų128.956%0.56266%0.66SS**  trans-100.3151.6173-61.2178.1-6400109.2Q466Q466-M468 HydrophobicContact CG-CE 4.34Å; Q466-M468 HydrophobicContact CG-CG 3.96Å; Q466-M468 HydrophobicContact CG-SD 4.23Å
469N32Very low29.4Very low135 Ų135120.9 Ų120.972%0.72264%0.637SS**  -170.4130.3106.3-88.9-35.7000108.3
470L27Very low29.8Very low130 Ų130118 Ų11868%0.68161%0.614SS**  49.2104.584.3-78.7148.8000109.6
471S30.1Very low30.1Very low104 Ų104112 Ų11273%0.72758%0.583SS**  170.9170.960.749.60000108.7
472K31.9Very low30.6Very low171 Ų171109.5 Ų109.574%0.74357%0.567SS**  cis-164.8163.1-7.9-117.3171.2-177.9174.60108.2
473L28Very low31.1Very low132 Ų132108.8 Ų108.869%0.69156%0.562SS**  trans47124.9150.1-92.866.1000122.1
474K29.6Very low31.4Very low176 Ų176110.3 Ų110.377%0.76557%0.57SS**  trans65.5161.9132.5-68-174.3173.3-172.50117.3
475T30.7Very low31.3Very low110 Ų110111.6 Ų111.668%0.67557%0.574SS**  cis-152.5128.125-35.10000112.5
476I29.9Very low31.4Very low111 Ų111110.7 Ų110.757%0.56957%0.57SS**  trans48126139.4-59176.2000117.7
477T31Very low31.3Very low58 Ų58115.2 Ų115.236%0.35658%0.584SS.*  -15297.58922.20000117.3Q283 C284 Q285Q283-T477 CarbonylContact C-O 3.15Å; Q283-T477 CarbonylContact O-C 3.57Å; C284-T477 WeakPolarHBondContact CA-O 3.37Å; C284-T477 WeakPolarHBondContact CB-O 3.36Å; C284-T477 PolarHBondContact N-O 3.38Å; C284-T477 PolarHBondContact O-N 3.31Å; C284-T477 PolarHBondContact O-OG1 2.75Å; Q285-T477 PolarHBondContact O-OG1 2.85Å
478N31.2Very low31.3Very low92 Ų92112.3 Ų112.349%0.49257%0.568SS.*  124.9110.6129.6-59.9-13.6000121.8P282 Q283P282-N478 PolarHBondContact O-N 3.47Å; Q283-N478 CarbonylContact O-C 3.39Å; Q283-N478 PolarHBondContact O-N 3.04Å
479N31.2Very low31.5Very low90 Ų90114 Ų11448%0.48157%0.574SS.*  trans74.8132.6139.7-41.82.1000120.2Y281 P282Y281-N479 HydrophobicContact CD1-CB 4.24Å; Y281-N479 WeakPolarHBondContact CD1-OD1 3.49Å; Y281-N479 HydrophobicContact CE1-CB 4.29Å; Y281-N479 WeakPolarHBondContact CE1-OD1 3.44Å; P282-N479 WeakPolarHBondContact CG-O 3.44Å
480N34.3Very low31.2Very low34 Ų34114.3 Ų114.318%0.18258%0.576CS.*  cis-154.3168.1-7.8-105.113.6000113.9P280 Y281 P282 H506 V507P280-N480 HydrophobicContact CB-CB 4.49Å; P280-N480 WeakPolarHBondContact CG-OD1 3.38Å; Y281-N480 WeakPolarHBondContact CD1-OD1 3.48Å; Y281-N480 WeakPolarHBondContact CE1-OD1 3.3Å; P282-N480 VanDerWaalsContact CD-CA 3.45Å; P282-N480 VanDerWaalsContact CD-N 3.32Å; N480-H506 PolarHBondContact O-CE1 3.17Å; N480-V507 HydrophobicContact CB-CG1 4.32Å
481D33.9Very low31.3Very low30 Ų30114.8 Ų114.816%0.1658%0.579CS.*  trans36.5149.6158.2-68.9-87.5000125.1Q278 P280 H506 V507Q278-D481 WeakPolarHBondContact CG-OD1 3.18Å; Q278-D481 PolarHBondContact NE2-OD1 2.99Å; P280-D481 HydrophobicContact CB-CB 4.36Å; P280-D481 VanDerWaalsContact CB-CG 3.46Å; P280-D481 WeakPolarHBondContact CB-OD2 3.34Å; P280-D481 WeakPolarHBondContact CG-OD2 3.39Å; D481-H506 WeakPolarHBondContact CB-NE2 3.41Å; D481-H506 PolarHBondContact O-NE2 3.44Å; D481-V507 VanDerWaalsContact OD2-CG1 3.28Å; D481-V507 WeakPolarHBondContact OD2-CG1 3.29Å
482V37.8Very low31.2Very low71 Ų71116.6 Ų116.643%0.4358%0.579SS.*  cis-178.7146.2-25.71170000113.2L279L279-V482 HydrophobicContact CB-CG2 3.31Å
483H37.9Very low31Very low118 Ų118114.4 Ų114.455%0.54658%0.575SS.*  trans42.9163.6154.1-73.4-43.1000124.6
484N35.2Very low31.1Very low112 Ų112114.4 Ų114.460%0.59958%0.576SS**  cis-163.7171.8-25.8-168.233.5000110.3
485E29.6Very low31Very low95 Ų95112.9 Ų112.944%0.44458%0.576SS.*  trans-72.9172.6172.4-57.8164.7-163.800112.8N553E485-N553 WeakPolarHBondContact CG-ND2 3.41Å; E485-N553 PolarHBondContact OE1-ND2 2.99Å
486N29.6Very low31Very low119 Ų119113 Ų11364%0.63656%0.564SS**  cis-171.915539.2-126.6-61.6000111.2
487Y30Very low31Very low214 Ų214111.5 Ų111.584%0.83956%0.557SS**  trans169.4132.1135.9-102.5-63.3000117.5
488K30.9Very low31Very low142 Ų142118 Ų11862%0.61758%0.583SS**  trans63.9123.6140.3-97.8171.6171.3-75.70124.7
489E29.8Very low31Very low151 Ų151121.6 Ų121.671%0.70659%0.591SS**  73.2152.8128.7-80.2163.8-179.600123.5
490N25.6Very low31Very low141 Ų141125.7 Ų125.775%0.75461%0.607SS**  trans-76145.7-175.5-40.2-68.3000112.4
491N29.3Very low30.9Very low140 Ų140131.7 Ų131.775%0.74964%0.637SS**  172.1137.6109.6-88.9-44.6000114.7
492I28Very low30.9Very low141 Ų141135.2 Ų135.272%0.72367%0.665SS**  trans32.4131133.9-54.3175.3000120.3
493N27.8Very low30.9Very low125 Ų125135 Ų13567%0.66868%0.677SS**  trans88.9109.8156.4-81.6-17.1000122.4
494L30.3Very low30.7Very low133 Ų133137.9 Ų137.970%0.69669%0.69SS**  68107125.4-72.1167.1000122.3
495N27.8Very low30.6Very low144 Ų144138.9 Ų138.977%0.7769%0.694SS**  69.9153.5128.3-82.8-11.9000122
496R31.2Very low30.8Very low113 Ų113139.2 Ų139.243%0.42670%0.695SS.*  trans70.8117.7174.3-70.8-169.5177.6104.16.8118N612 N613R496-N612 WeakPolarHBondContact CD-OD1 3.06Å; R496-N612 PolarHBondContact NE-OD1 3.31Å; R496-N612 PolarHBondContact NH1-OD1 3.39Å; R496-N613 PolarHBondContact NH1-OD1 3.09Å
497N29.8Very low31.2Very low78 Ų78137.4 Ų137.442%0.41769%0.689SS.*  trans67.484.8131.1-54.7-3.7000118.3N610 I611N497-N610 VanDerWaalsContact ND2-CG 3.29Å; N497-N610 PolarHBondContact ND2-ND2 3.21Å; N497-N610 PolarHBondContact ND2-OD1 3.04Å; N497-I611 WeakPolarHBondContact ND2-CD1 3.48Å; N497-I611 VanDerWaalsContact OD1-CD1 3.32Å; N497-I611 WeakPolarHBondContact OD1-CD1 3.29Å
498Q30.3Very low31.4Very low195 Ų195130.8 Ų130.891%0.91167%0.668SS**  trans-73.4141.1147.5-68.5175.1-37.700110.2
499Y31.6Very low31.7Very low168 Ų168130.4 Ų130.466%0.65967%0.668SS**  trans-122.8152.2152-107.6-84000108.5N610Y499-N610 WeakPolarHBondContact CE2-ND2 3.36Å
500H31.4Very low32.1Very low175 Ų175126.2 Ų126.281%0.8166%0.656SS**  trans-64.5172173.2-86-96.4000111.2
501I31.5Very low32.6Very low160 Ų160127 Ų12782%0.82166%0.66SS**  cis-155.8151.449.3-68.4166.8000113.1
502S33.7Very low32.8Very low105 Ų105123.3 Ų123.373%0.73466%0.655SS**  trans-23.5160.7160.2-160.90000119.8
503G37.4Very low33.1Very low66 Ų66124.5 Ų124.568%0.6866%0.663SS**  cis142.2155.6-1000000116.5
504Q34Very low33.3Very low179 Ų179124.2 Ų124.284%0.83667%0.665SS**  trans70140.1160.3-75.8-172.3-19.700123.8
505I33.6Very low33.4Very low133 Ų133123 Ų12368%0.68266%0.664SS**  trans73.4149.4155.4-69164.3000116.6
506H33.9Very low33.5Very low101 Ų101120.4 Ų120.447%0.46866%0.656SS.*  cis-172.4-172.6-31-83.6167.9000106.1N480 D481N480-H506 PolarHBondContact O-CE1 3.17Å; D481-H506 WeakPolarHBondContact CB-NE2 3.41Å; D481-H506 PolarHBondContact O-NE2 3.44Å
507V38Very low33.3Very low82 Ų82124.2 Ų124.250%0.49767%0.672SS.*  cis-159.5154.7-2.6-125.90000108.9N480 D481N480-V507 HydrophobicContact CB-CG1 4.32Å; D481-V507 VanDerWaalsContact OD2-CG1 3.28Å; D481-V507 WeakPolarHBondContact OD2-CG1 3.29Å
508N34.1Very low33.5Very low74 Ų74127.7 Ų127.740%0.39669%0.685SS.*  trans66.9148.1150.9-69.2-14.6000119.9Q278Q278-N508 VanDerWaalsContact NE2-N 3.15Å; Q278-N508 PolarHBondContact NE2-OD1 2.87Å; Q278-N508 VanDerWaalsContact OE1-CA 3.3Å
509Q37.4Very low33.4Very low135 Ų135124.7 Ų124.763%0.63168%0.676SS**  cis-161.1149.77.2-134.3167.37.800113.7
510S38.4Very low33.3Very low63 Ų63120.7 Ų120.744%0.44168%0.678SS.*  trans55.9148.8152.444.70000121
511D35.1Very low33.3Very low158 Ų158117.4 Ų117.485%0.84567%0.674SS**  cis-165.4158.222.5-124.2-22.7000114.7
512G33.7Very low32.9Very low62 Ų62114.2 Ų114.264%0.63967%0.666SS**  trans100.8101.6139.800000125.5
513N34.4Very low32.6Very low166 Ų166116 Ų11689%0.88867%0.667SS**  trans55.4155.9130.3-72.8-14.6000123.1
514V32Very low32.1Very low118 Ų118119.6 Ų119.672%0.71567%0.67SS**  cis-156.3151.14.41060000114.7
515T31.9Very low31.7Very low109 Ų109115.3 Ų115.367%0.66967%0.665SS**  trans-9136.6167.765.20000126.6
516S29.8Very low31.4Very low88 Ų88113.7 Ų113.762%0.61567%0.666SS**  62.3162.2123.977.50000122.1
517Y28.1Very low31.1Very low194 Ų194115.9 Ų115.976%0.76168%0.681SS**  cis-167.3167.427.5-120.7-54.3000112
518H32.7Very low30.4Very low150 Ų150119.7 Ų119.769%0.69470%0.698SS**  trans66.5151.8157.2-74.4-68.6000119.4
519D28.4Very low30.3Very low132 Ų132122.3 Ų122.371%0.70672%0.719SS**  cis-150.2-1792.7-135.6-17.6000115.5
520A30.5Very low30Very low85 Ų85119.3 Ų119.370%0.70272%0.724SS**  trans72.399.1178.700000115.1
521S30.1Very low29.8Very low106 Ų106120.9 Ų120.974%0.74174%0.735SS**  cis77.3141.727.9110.80000114.6
522S24.7Very low29.6Very low92 Ų92124.3 Ų124.364%0.64374%0.737SS**  cis-168.8169.4-2056.10000111.8
523L27.5Very low29.3Very low143 Ų143128.5 Ų128.575%0.74974%0.744SS**  trans62.2129.2150.3-70.4161.8000122.3
524N25.9Very low29Very low142 Ų142124.9 Ų124.976%0.75973%0.732SS**  trans72.3128.9131.9-70.4-1.5000124.3
525A26.1Very low28.7Very low88 Ų88126.9 Ų126.973%0.72773%0.734SS**  82.9120.6127.600000122.3
526S26.5Very low28.9Very low99 Ų99127.7 Ų127.769%0.69274%0.744SS**  trans92.2136.8135.779.80000120.6
527N28.4Very low29.4Very low148 Ų148129.1 Ų129.179%0.79175%0.749SS**  trans77.3115147.3-58.7-19.5000121.6
528L23.9Very low29.5Very low162 Ų162126.7 Ų126.785%0.84875%0.747SS**  trans-30.4171.6132.3-79.573.4000115.3
529P31.4Very low29.3Very low129 Ų129125.6 Ų125.684%0.83875%0.747SS**  cis-129.2-177.4-4.530.9-10.6000113.5
530G31.1Very low29.4Very low71 Ų71125.6 Ų125.673%0.73274%0.742SS**  trans172.1100163.200000115.8
531S33.1Very low29.8Very low96 Ų96125.6 Ų125.667%0.67174%0.737SS**  trans-29.2143.7157.547.50000115.1
532Y30.8Very low29.9Very low230 Ų230124.5 Ų124.590%0.90272%0.723SS**  cis-122.6159.740.3-78.4-96.5000116
533L27.6Very low30.2Very low150 Ų150124 Ų12479%0.78571%0.708SS**  trans-128.3140.5-175.9-123.8169.4000108.5
534S29.4Very low30.4Very low90 Ų90120 Ų12063%0.62969%0.689SS**  trans69.5158.6163.9-51.80000116.5
535Q25.5Very low30.7Very low161 Ų161117.1 Ų117.175%0.75267%0.674SS**SBendcis-115.3157.48.5-110.477.11200114.5V537Q535-V537 PolarHBondContact O-N 3.05Å
536S34.6Very low30.8Very low125 Ų125119.7 Ų119.787%0.87467%0.673SS**SBendtrans73.6-3.1160.372.10000120.6
537V41.6Very low31.1Very low119 Ų119118.9 Ų118.972%0.72167%0.666SS**  trans-142.6164.1-175-166.10000111.1Q535Q535-V537 PolarHBondContact O-N 3.05Å
538I30.6Very low31.1Very low143 Ų143120.5 Ų120.573%0.73367%0.669SS**  trans92.9124.3169.5-53.2174.6000115.2
539D27.7Very low31.3Very low127 Ų127117.5 Ų117.568%0.67966%0.661SS**  trans55.7138.1163-68.35.3000120.4
540Q30.8Very low31.2Very low131 Ų131120 Ų12061%0.61266%0.659SS**  cis-152.4140.1-1.6-128.4166.457.100109.4Y1374Q540-Y1374 CarbonylContact C-O 3.58Å; Q540-Y1374 VanDerWaalsContact C-O 3.3Å; Q540-Y1374 WeakPolarHBondContact CB-O 3.1Å
541S37.8Very low31.1Very low86 Ų86123.2 Ų123.260%0.60166%0.659SS**  trans-117109.5-15364.20000117.4Y1374S541-Y1374 VanDerWaalsContact C-CA 3.44Å; S541-Y1374 PolarHBondContact N-O 2.74Å; S541-Y1374 WeakPolarHBondContact O-CA 3.2Å; S541-Y1374 PolarHBondContact O-N 3.14Å
542D33.5Very low30.8Very low83 Ų83124.8 Ų124.844%0.44466%0.66SS.*  38115.3128.4-65.837.8000121.1S1375 W1376D542-S1375 VanDerWaalsContact N-CA 3.26Å; D542-W1376 VanDerWaalsContact OD1-CA 3.28Å; D542-W1376 WeakPolarHBondContact OD1-CA 3.46Å; D542-W1376 VanDerWaalsContact OD2-CD1 3.27Å
543Y31.5Very low30.7Very low82 Ų82119.2 Ų119.232%0.32265%0.645SS.*  trans8117.8152-85.7-112.5000118.7S1375 W1376Y543-S1375 WeakPolarHBondContact CD2-OG 3.4Å; Y543-S1375 PolarHBondContact N-OG 3.3Å; Y543-W1376 HydrophobicContact CD1-CD2 4.21Å; Y543-W1376 HydrophobicContact CD1-CE3 4.29Å; Y543-W1376 HydrophobicContact CD1-CH2 4.05Å; Y543-W1376 AromaticContact CD1-CZ2 3.95Å; Y543-W1376 HydrophobicContact CD1-CZ2 3.95Å; Y543-W1376 HydrophobicContact CD1-CZ3 4.22Å; Y543-W1376 HydrophobicContact CD2-CB 3.6Å; Y543-W1376 AromaticContact CD2-CD1 3.68Å; Y543-W1376 AromaticContact CD2-CD2 3.19Å; Y543-W1376 HydrophobicContact CD2-CD2 3.19Å; Y543-W1376 AromaticContact CD2-CE2 3.66Å; Y543-W1376 AromaticContact CD2-CE3 3.58Å; Y543-W1376 HydrophobicContact CD2-CE3 3.58Å; Y543-W1376 AromaticContact CD2-CG 3.24Å; Y543-W1376 HydrophobicContact CD2-CG 3.24Å; Y543-W1376 HydrophobicContact CD2-CZ2 4.38Å; Y543-W1376 HydrophobicContact CD2-CZ3 4.31Å; Y543-W1376 AromaticContact CD2-NE1 3.93Å; Y543-W1376 HydrophobicContact CE1-CD2 4.41Å; Y543-W1376 HydrophobicContact CE1-CE3 4.05Å; Y543-W1376 HydrophobicContact CE1-CH2 4.03Å; Y543-W1376 HydrophobicContact CE1-CZ2 4.39Å; Y543-W1376 AromaticContact CE1-CZ3 3.84Å; Y543-W1376 HydrophobicContact CE1-CZ3 3.84Å; Y543-W1376 HydrophobicContact CE2-CB 3.85Å; Y543-W1376 AromaticContact CE2-CD2 3.44Å; Y543-W1376 HydrophobicContact CE2-CD2 3.44Å; Y543-W1376 VanDerWaalsContact CE2-CD2 3.44Å; Y543-W1376 AromaticContact CE2-CE3 3.28Å; Y543-W1376 HydrophobicContact CE2-CE3 3.28Å; Y543-W1376 AromaticContact CE2-CG 3.75Å; Y543-W1376 HydrophobicContact CE2-CG 3.75Å; Y543-W1376 AromaticContact CE2-CZ3 3.94Å; Y543-W1376 HydrophobicContact CE2-CZ3 3.94Å; Y543-W1376 AromaticContact CG-CD1 4Å; Y543-W1376 AromaticContact CG-CD2 3.62Å; Y543-W1376 HydrophobicContact CG-CD2 3.62Å; Y543-W1376 AromaticContact CG-CE2 3.54Å; Y543-W1376 HydrophobicContact CG-CE3 4.09Å; Y543-W1376 AromaticContact CG-CG 3.93Å; Y543-W1376 HydrophobicContact CG-CG 3.93Å; Y543-W1376 HydrophobicContact CG-CH2 4.39Å; Y543-W1376 AromaticContact CG-CZ2 3.96Å; Y543-W1376 HydrophobicContact CG-CZ2 3.96Å; Y543-W1376 HydrophobicContact CG-CZ3 4.45Å; Y543-W1376 AromaticContact CG-NE1 3.81Å; Y543-W1376 AromaticContact CZ-CE3 3.53Å; Y543-W1376 AromaticContact CZ-CZ3 3.68Å
544V31.3Very low30.9Very low59 Ų59116.4 Ų116.436%0.35863%0.631SS.*  74.2105.876167.60000113.8Y1374V544-Y1374 HydrophobicContact CG2-CD1 4.47Å; V544-Y1374 HydrophobicContact CG2-CE1 3.61Å
545N30.7Very low31Very low81 Ų81119.1 Ų119.143%0.43363%0.634SS.*  -167.6121.499.9-104.2-46.6000114.5N463 N464N463-N545 PolarHBondContact O-OD1 3.24Å; N464-N545 WeakPolarHBondContact CB-OD1 3.22Å; N464-N545 PolarHBondContact N-ND2 2.95Å; N464-N545 VanDerWaalsContact N-ND2 3.16Å; N464-N545 PolarHBondContact N-OD1 2.84Å; N464-N545 PolarHBondContact ND2-OD1 3.42Å; N464-N545 VanDerWaalsContact ND2-OD1 3.1Å; N464-N545 PolarHBondContact O-ND2 2.89Å
546I28.9Very low31.2Very low141 Ų141118.4 Ų118.472%0.72363%0.634SS**  trans-144.3123.9162.4-59.5179.3000107.7Q548I546-Q548 HydrophobicContact CG2-CB 4.33Å; I546-Q548 HydrophobicContact CG2-CG 4.12Å
547P33.3Very low31.2Very low82 Ų82117.2 Ų117.253%0.53263%0.626SS.*  trans-99.899.4161.432.8-25.1000110
548Q28.6Very low30.9Very low183 Ų183116.8 Ų116.886%0.85563%0.625SS**  trans-95.1166.5170.4-105-169.7-1.700112.5I546I546-Q548 HydrophobicContact CG2-CB 4.33Å; I546-Q548 HydrophobicContact CG2-CG 4.12Å
549S28.5Very low31Very low99 Ų99116.8 Ų116.869%0.69263%0.627SS**  trans-89.5145.2-166.154.80000114.8
550K29Very low31.3Very low180 Ų180117 Ų11778%0.78363%0.628SS**  trans51.2125.4136.7-70.5-175.8173.3-174.20120.1
551L28.7Very low31.5Very low139 Ų139118.1 Ų118.173%0.72864%0.638SS**  55.8141127.7-67.9159.1000120.3
552N27.2Very low31.4Very low129 Ų129122.1 Ų122.169%0.6965%0.653SS**  -168.1139.1101.8-93.2-3.3000112
553N27.1Very low31.3Very low113 Ų113124 Ų12460%0.60467%0.672SS**  trans-134.6131.5162.2-77.680000107.4E485E485-N553 WeakPolarHBondContact CG-ND2 3.41Å; E485-N553 PolarHBondContact OE1-ND2 2.99Å
554D31.8Very low31Very low91 Ų91127.5 Ų127.549%0.48770%0.696SS.*  trans-139.4149.4-176.3-89.5-51.5000106.5
555Q33Very low30.7Very low148 Ų148130.6 Ų130.669%0.69272%0.715SS**  cis-162164.7-12-82.1-139.93.100109.3
556I28.7Very low30.5Very low145 Ų145133.7 Ų133.774%0.74473%0.731SS**  trans-138.797.4151.3-55.6-177.1000112.1
557S34.7Very low30.6Very low101 Ų101132.7 Ų132.771%0.70673%0.731SS**  38.6159.6124-56.20000125.5
558P35.8Very low30.7Very low110 Ų110134.1 Ų134.171%0.71474%0.739SS**  trans-135-174.9-15743.9-25.6000118.3
559N31.7Very low30.9Very low143 Ų143132.4 Ų132.477%0.76574%0.735SS**  trans68.8155.2160.1-76.84.6000118.4
560N34Very low31.2Very low130 Ų130131.9 Ų131.970%0.69574%0.737SS**  cis-142.6159.54.6-90.8-32.5000108
561N35.7Very low31.4Very low156 Ų156130.2 Ų130.283%0.83474%0.736SS**  168.3167.575.4-114.5-21.1000109.9
562N36.2Very low31.5Very low169 Ų169129.3 Ų129.390%0.90474%0.738SS**  trans-102.7135.3176.6-89.6-19.8000114.3
563S30.9Very low31.6Very low123 Ų123127.8 Ų127.886%0.8673%0.734SS**  trans-162.4175.4150.2-1610000111.6
564L25.2Very low31.5Very low156 Ų156131.4 Ų131.482%0.81774%0.741SS**  trans-73.2168.5-173.7-79.1149.3000114.3
565T25.5Very low31.3Very low123 Ų123133.2 Ų133.276%0.75575%0.748SS**  trans90.9121.7156.3700000119.3
566L25.4Very low31Very low146 Ų146133.8 Ų133.876%0.76475%0.754SS**  trans65.3109.8140-65167.4000120.5
567T30.6Very low31.1Very low120 Ų120134 Ų13474%0.73676%0.756SS**  trans85.5153.4132.760.50000120.9
568T36.6Very low30.7Very low112 Ų112133.6 Ų133.669%0.68775%0.751SS**  trans65.584.5166.850.90000119.5
569N32.7Very low30.4Very low147 Ų147133 Ų13379%0.78675%0.75SS**  73.3119.8118.5-55.7-14.4000121.5
570A33.9Very low30.5Very low89 Ų89131.4 Ų131.474%0.73675%0.749SS**  trans72.6132134.300000118.7
571L34.4Very low30.4Very low144 Ų144131.7 Ų131.775%0.75476%0.755SS**  cis-129.6160.6-8.5-63.490.7000108.9
572P31.1Very low30Very low120 Ų120127.9 Ų127.978%0.77974%0.741SS**SBend-124.5145.386.536.6-32.8000114.6
573T28.1Very low29.6Very low98 Ų98123.7 Ų123.760%0.60173%0.725SS**SBendtrans71.7150.6163.5-14.90000118.5
574Y25.8Very low29.3Very low189 Ų189124 Ų12474%0.74172%0.716SS**  trans60.197.1175.7-63-75.9000116.6
575M27.5Very low29.4Very low128 Ų128122.6 Ų122.663%0.63171%0.709SS**  82.910972.9-77-130.6-56.800113.5
576I25.8Very low29.5Very low161 Ų161124.7 Ų124.783%0.82672%0.716SS**SBendtrans-136.9120.9159.7-63.7-179.5000103.4
577L30.8Very low29.6Very low149 Ų149126.5 Ų126.578%0.7871%0.714SS**SBendcis-122.9154.912.8-61.286.3000111.7
578P27.6Very low29.4Very low93 Ų93127.9 Ų127.960%0.60472%0.716SS**  cis-132.4173.2-28.837.3-21.9000113.3
579S29.8Very low29.3Very low98 Ų98130.9 Ų130.969%0.68573%0.727SS**  trans62.6149160.544.20000118.8
580S33Very low29.2Very low109 Ų109128.4 Ų128.476%0.76272%0.719SS**  cis-165.4171.8-20.1460000110.5
581V31.8Very low28.8Very low135 Ų135131.9 Ų131.982%0.81872%0.724SS**  trans-36.1156.4179.1-80.20000119.3
582S28Very low28.6Very low76 Ų76129.5 Ų129.553%0.53172%0.717SS.*  trans-77.8162.2-175.962.20000116.1N601S582-N601 PolarHBondContact OG-ND2 2.91Å
583S26.4Very low28.5Very low81 Ų81130.9 Ų130.957%0.56672%0.717SS**  trans55.8102.1154.161.30000118.4
584L26.5Very low28.6Very low129 Ų129131.4 Ų131.468%0.67573%0.725SS**  trans-161.8173.9144.6-114.9165.2000109.2
585N27.2Very low28.8Very low127 Ų127130.4 Ų130.468%0.67973%0.732SS**  trans-61144.8164.3-63.6-56.1000109.4
586D27.2Very low29.2Very low167 Ų167129.3 Ų129.389%0.89373%0.734SS**  -143.6150.7111.9-115.2-34.1000110.8
587Y27.3Very low29.4Very low185 Ų185127.9 Ų127.973%0.72573%0.733SS**  trans-83.2145-171.5-110-121.7000112.1
588L26.7Very low29.4Very low149 Ų149125.3 Ų125.378%0.7873%0.728SS**  trans69158156.1-62.9161000118.6P590L588-P590 WeakPolarHBondContact O-CD 3.24Å
589L34.5Very low29.7Very low174 Ų174127.6 Ų127.691%0.91173%0.734SS**  trans-59.6122.4150.2-64.6154.5000108
590P29.6Very low29.8Very low96 Ų96130.2 Ų130.262%0.62374%0.739SS**  -148.8147.2120.835.9-20000115.6L588L588-P590 WeakPolarHBondContact O-CD 3.24Å
591I26.7Very low29.7Very low162 Ų162128.7 Ų128.783%0.83172%0.722SS**  -85.7128.4127.6-68.1175.9000104
592P28.8Very low29.8Very low94 Ų94130.9 Ų130.961%0.6172%0.721SS**  cis-130.8152.237.138.5-22.8000117.6
593N29.5Very low30.1Very low148 Ų148132.3 Ų132.379%0.79173%0.726SS**  trans29.197.8137.6-50-14.5000119.3
594S30.7Very low30.2Very low109 Ų109135 Ų13576%0.76273%0.734SS**  160.7126.9114.5540000117.8
595L28.9Very low30.4Very low168 Ų168136.4 Ų136.488%0.8874%0.741SS**  trans71.1158.2149.3-84.569.9000121.2
596P35.8Very low30.5Very low106 Ų106135.1 Ų135.169%0.68874%0.742SS**  trans-142.6174.6-14435.8-12.5000120.4
597T31Very low30.7Very low130 Ų130134 Ų13480%0.79874%0.735SS**  trans138.7130.8131.356.90000121.2
598S31.7Very low30.9Very low95 Ų95132.4 Ų132.466%0.66474%0.737SS**  trans105.8109.4133.672.40000127.5
599I33.6Very low31.2Very low142 Ų142129.4 Ų129.473%0.72873%0.725SS**  91.9127.9118.7-69.5172.5000126.4
600L31.6Very low30.9Very low152 Ų152125 Ų12580%0.79670%0.703SS**  trans90.3164.4152.9-117.571.6000125.4
601N31.1Very low31.2Very low78 Ų78125.2 Ų125.242%0.41770%0.697SS.*  trans-167.2157.4-145.3-159.5-13.2000116.6S582S582-N601 PolarHBondContact OG-ND2 2.91Å
602K34Very low31.1Very low180 Ų180123.5 Ų123.578%0.78369%0.69SS**  trans71.6161.5154-99.7-179.5174.8-171.50122.8
603T33.5Very low31Very low106 Ų106123.3 Ų123.365%0.6568%0.684SS**  cis-126.4-143.9-2.438.40000111.9
604D28.4Very low31Very low138 Ų138122.6 Ų122.674%0.73868%0.68SS**  cis-168.5-178.83-135.9-55.6000115.7
605I31.6Very low30.8Very low159 Ų159124.3 Ų124.382%0.81568%0.68SS**  trans75.8156.6170.3-51.4-173.4000118.8
606S29.1Very low30.8Very low100 Ų100122.4 Ų122.470%0.69967%0.67SS**  trans-157-173.5-145.157.20000117.7
607I31.6Very low30.4Very low144 Ų144123 Ų12374%0.73867%0.667SS**  trans118115.5149.1-76.1167000122.8
608I29.6Very low30.3Very low151 Ų151123.2 Ų123.277%0.77466%0.661SS**  trans72.7172.4141.3-65.5178.1000122.1
609T33.1Very low30Very low86 Ų86121.1 Ų121.153%0.52864%0.642SS.*  trans-154.7172.9-141.761.10000115.7
610N29.3Very low29.8Very low82 Ų82120.4 Ų120.444%0.43964%0.644SS.*  trans82.994.3148.6-85.7-11.1000124.5N497 Y499N497-N610 VanDerWaalsContact ND2-CG 3.29Å; N497-N610 PolarHBondContact ND2-ND2 3.21Å; N497-N610 PolarHBondContact ND2-OD1 3.04Å; Y499-N610 WeakPolarHBondContact CE2-ND2 3.36Å
611I34.7Very low29.7Very low100 Ų100116.9 Ų116.951%0.51363%0.633SS.*  trans28.8124.3133.2-8.4178.7000123N497N497-I611 WeakPolarHBondContact ND2-CD1 3.48Å; N497-I611 VanDerWaalsContact OD1-CD1 3.32Å; N497-I611 WeakPolarHBondContact OD1-CD1 3.29Å
612N25.8Very low29.3Very low125 Ų125122.8 Ų122.867%0.66866%0.655SS**  trans-166.8158.6141.3-99.3-3.5000104.3R496R496-N612 WeakPolarHBondContact CD-OD1 3.06Å; R496-N612 PolarHBondContact NE-OD1 3.31Å; R496-N612 PolarHBondContact NH1-OD1 3.39Å
613N26.5Very low29Very low91 Ų91122 Ų12249%0.48766%0.658SS.*  cis-175.9-171.51.3-131.832.3000106.4R496R496-N613 PolarHBondContact NH1-OD1 3.09Å
614D30.4Very low28.6Very low133 Ų133121.6 Ų121.671%0.71166%0.66SS**  trans47.1101.2143.6-49.2-23.9000122.5
615D25.6Very low28.6Very low145 Ų145121 Ų12178%0.77566%0.661SS**  72.6151.1111.1-138.6-3.8000123.1
616L28.4Very low28.5Very low127 Ų127119 Ų11967%0.66566%0.656SS**  trans68.8117.9166-54.4-178.3000121.3
617L26.8Very low28.6Very low119 Ų119118.3 Ų118.362%0.62365%0.65SS**  trans56.3122.9130.4-53.5173.1000118.6
618M30.1Very low28.3Very low135 Ų135118.4 Ų118.467%0.66565%0.647SS**  cis-149.1172.620.9-85.3-59.4-165.100112.7
619D24.6Very low28.3Very low50 Ų50120.6 Ų120.627%0.26765%0.654SS.*  trans-19.4147.1151.9-44.4-52.6000116.3N1249D619-N1249 VanDerWaalsContact OD1-CB 3.27Å; D619-N1249 WeakPolarHBondContact OD1-CB 3.41Å; D619-N1249 PolarHBondContact OD1-N 3.08Å; D619-N1249 PolarHBondContact OD1-ND2 3.46Å; D619-N1249 PolarHBondContact OD2-ND2 3.04Å
620T29Very low28.2Very low127 Ų127122.3 Ų122.378%0.77966%0.66SS**  -165.9138.966.418.80000113.7
621S29.8Very low28.2Very low79 Ų79129.7 Ų129.755%0.55268%0.684SS**  trans27.4105151.6620000118.7L623S621-L623 PolarHBondContact O-N 3.36Å
622F23.7Very low27.8Very low201 Ų201131.6 Ų131.688%0.88269%0.694SS**  trans-49.1134.6132.6-96.8-107.9000108.8
623L27.7Very low27.9Very low163 Ų163132.6 Ų132.685%0.85370%0.699SS**  trans-110.4122.4149.7-148.5111.4000109.3S621 T625S621-L623 PolarHBondContact O-N 3.36Å; L623-T625 PolarHBondContact O-N 3.41Å
624S24.3Very low28.1Very low99 Ų99131.3 Ų131.369%0.69271%0.707SS**  trans-53.5115.1-179-177.70000113.2
625T28.9Very low28.1Very low124 Ų124131.4 Ų131.476%0.76171%0.707SS**  -156.292.8124.219.60000111.7L623L623-T625 PolarHBondContact O-N 3.41Å
626V29.6Very low28.2Very low117 Ų117130.9 Ų130.971%0.70970%0.703SS**  trans-76.4148.91611630000109
627P31.1Very low28.3Very low87 Ų87131 Ų13157%0.56571%0.709SS**  cis-132-175.5-1429.9-8.2000115.1
628E25.4Very low28.2Very low146 Ų146130 Ų13068%0.68271%0.712SS**  trans6.2131.6142.9-57.390.8-101.700120.3
629E29.9Very low28Very low196 Ų196128.5 Ų128.592%0.91672%0.715SS**  -123136.5110.8-94.2-176.1-17300107.2
630D30.8Very low28.1Very low123 Ų123133 Ų13366%0.65874%0.739SS**  trans-76138.1-159.2-50-71.6000114.4
631Y29.4Very low28.3Very low237 Ų237136.5 Ų136.593%0.92974%0.744SS**  trans-13844.1160.1-98.1-71.3000111.4
632D26.4Very low28.2Very low139 Ų139137.9 Ų137.974%0.74375%0.748SS**  trans-85.5146.9160.6-90.29000109.5
633I28.2Very low28.5Very low147 Ų147131.1 Ų131.175%0.75472%0.724SS**  cis-157.4158.9-17.2-126167.5000107.2
634G30.3Very low28.6Very low64 Ų64128.4 Ų128.466%0.6672%0.716SS**  trans141.3126.7163.500000115.5
635D30.5Very low28.7Very low134 Ų134131.1 Ų131.172%0.71772%0.718SS**  cis-149.5141.8-8.3-107.7-24.8000113.3
636I27.3Very low28.9Very low135 Ų135133.1 Ų133.169%0.69272%0.719SS**  trans23.6118.9140.8-42.8154.6000118.4
637T29.5Very low28.9Very low128 Ų128132.5 Ų132.579%0.78572%0.719SS**  -176.513111224.40000115.7
638S25.5Very low29.2Very low99 Ų99133.8 Ų133.869%0.69273%0.727SS**  trans36.5119146.764.90000123.5
639S26.7Very low29.3Very low103 Ų103132.4 Ų132.472%0.7273%0.733SS**  80.4131.6122.577.20000123.2
640N25.3Very low29.3Very low146 Ų146131.8 Ų131.878%0.78173%0.727SS**  trans53.180142.3-60.2-3.8000119.4
641K33.9Very low29.1Very low200 Ų200136.5 Ų136.587%0.8774%0.736SS**  trans-145.2135.4132.2-127.6163.5-170.6168.90114.5
642T28.5Very low29.2Very low107 Ų107130.8 Ų130.866%0.65673%0.725SS**  trans-73160.1176.433.70000112.5Q199Q199-T642 VanDerWaalsContact OE1-CB 3.23Å; Q199-T642 VanDerWaalsContact OE1-CG2 3.28Å
643T29.1Very low29.3Very low59 Ų59133.9 Ų133.936%0.36273%0.728SS.*  trans-40.9154.2163-5.90000113Q199Q199-T643 WeakPolarHBondContact CG-OG1 3.15Å; Q199-T643 PolarHBondContact OE1-OG1 2.92Å
644P29.3Very low29.3Very low106 Ų106132.5 Ų132.569%0.68872%0.721SS**  -152.6157.58143.3-25.8000117.8
645Q27.2Very low28.9Very low157 Ų157138.7 Ų138.773%0.73474%0.736SS**  trans68.5163.4162.4-33-148.730.500115.9
646Q32.2Very low28.9Very low166 Ų166140.2 Ų140.278%0.77674%0.736SS**  cis-148.1142.2-1.3-152.1171.263.800112.8
647S30.6Very low29.1Very low104 Ų104139.5 Ų139.573%0.72774%0.74SS**  trans-144.2166.214086.70000105.8
648P38.2Very low28.8Very low113 Ų113142 Ų14273%0.73475%0.748SS**  cis-137.516819.341.1-24.5000116.4
649C26.3Very low28.9Very low118 Ų118143.6 Ų143.680%0.79775%0.748SS**  trans-149.1130.5139.1-111.30000114.9
650K31.1Very low29Very low183 Ų183144.8 Ų144.880%0.79675%0.747SS**  trans15.6120.5142.3-68.4171.1-177.4170.70119.3
651R26.3Very low29.2Very low221 Ų221145.1 Ų145.183%0.83475%0.748SS**  61.1152.4101.7-158.8-175.6-176.81560118.8
652V31.8Very low28.9Very low118 Ų118143.7 Ų143.772%0.71575%0.75SS**  trans81.393.4173.5-167.60000112.1
653Y27.9Very low28.8Very low204 Ų204146.7 Ų146.780%0.876%0.76SS**  77.6118.271.1-84.9-70.4000115.1
654L27.5Very low28.9Very low117 Ų117151.7 Ų151.761%0.61378%0.78SS**  trans53.7102.6133.2-15181.2000118.5K656L654-K656 HydrophobicContact CD1-CD 3.83Å; L654-K656 HydrophobicContact CD1-CG 3.91Å; L654-K656 HydrophobicContact CG-CB 4.47Å; L654-K656 HydrophobicContact CG-CD 4.44Å; L654-K656 HydrophobicContact CG-CG 4.21Å
655M22.8Very low28.9Very low195 Ų195152 Ų15296%0.96178%0.784SS**  trans-112.6111.1145.3-86.7-67.8156.700109.7
656K29.6Very low29Very low165 Ų165151.2 Ų151.272%0.71779%0.785SS**  trans-140.6140.5173.2-74.2-173.9-178.2177.50107.9L654L654-K656 HydrophobicContact CD1-CD 3.83Å; L654-K656 HydrophobicContact CD1-CG 3.91Å; L654-K656 HydrophobicContact CG-CB 4.47Å; L654-K656 HydrophobicContact CG-CD 4.44Å; L654-K656 HydrophobicContact CG-CG 4.21Å
657P31.2Very low29Very low120 Ų120151 Ų15178%0.77978%0.784SS**SBendcis-133.695.6-31.434-15.3000110.4
658L24.5Very low29.1Very low181 Ų181151.7 Ų151.795%0.94878%0.78SS**  trans-160.5158.7165.1-111.3164.9000109.5
659N27.4Very low28.8Very low133 Ų133152.1 Ų152.171%0.71178%0.776SS**  trans-101.8121.8-175.3-162.236.5000110.5
660N28.2Very low29.2Very low127 Ų127153.7 Ų153.768%0.67977%0.771SS**  trans65.9149.6166.2-66.4-9.4000120.1
661N30.3Very low29.2Very low153 Ų153151.8 Ų151.882%0.81877%0.77SS**  trans66.287.1153.6-57.4-5.2000119.6
662L27.4Very low29.4Very low171 Ų171147.7 Ų147.790%0.89577%0.765SS**  -152.1120.2100.5-159.473000110.9
663L27.1Very low29.5Very low169 Ų169148.4 Ų148.489%0.88577%0.77SS**  trans-147.1100.6169.1-176.7156.4000107
664E29.3Very low29.5Very low165 Ų165148 Ų14877%0.77178%0.775SS**  trans-157.6103.1176.2-147.2166-118.200112.3
665S30.8Very low29.6Very low111 Ų111145.8 Ų145.878%0.77678%0.78SS**  trans173.4130.1130.638.30000110.1
666N29.8Very low29.9Very low141 Ų141144.7 Ų144.775%0.75478%0.777SS**  cis-158.1177.8-10.4-131.6-37.3000111.5
667Q30.8Very low30Very low163 Ų163144.5 Ų144.576%0.76278%0.778SS**  trans80.8129.7174-54.8-172.616.900115.8
668N33Very low29.8Very low117 Ų117144.8 Ų144.863%0.62677%0.773SS**  cis-155.9139.1-2.3-96.6-27000111.8
669N32.2Very low30.2Very low123 Ų123143.6 Ų143.666%0.65877%0.766SS**  trans54.2153.7140.7-61-24.3000121.3
670Q34.9Very low30.4Very low150 Ų150142.8 Ų142.870%0.70177%0.766SS**  cis-163.2130.6-13.4-103.2157.110.200105.1
671N30.4Very low30.5Very low144 Ų144144.3 Ų144.377%0.7777%0.768SS**  77.2132.674.8-79.27.5000117.3
672N31.4Very low30.6Very low134 Ų134144.6 Ų144.672%0.71776%0.764SS**  trans99.4108.8143.9-68.95.1000123.9
673T32.6Very low30.7Very low134 Ų134141.5 Ų141.582%0.82276%0.757SS**  71.5150.6125.457.80000124.3
674E27.6Very low30.8Very low195 Ų195138.9 Ų138.991%0.91175%0.753SS**  trans-63.5160.4168.6-54.8166.2144.600112.3
675G29.7Very low31.4Very low70 Ų70136.2 Ų136.272%0.72275%0.75SS**  cis178.2162.5-300000111.6
676I30.8Very low31.3Very low173 Ų173140 Ų14089%0.88775%0.752SS**  trans-137.9151.5177.3-68-176.3000110.4
677H30.9Very low31.3Very low161 Ų161137.8 Ų137.875%0.74575%0.748SS**  trans-47.2149.9179.8-80.8-96000118.2
678D27.6Very low31.1Very low126 Ų126138.1 Ų138.167%0.67475%0.754SS**  trans32120.8133.2-48.4-43.1000120.4
679I31.8Very low30.9Very low156 Ų156137.4 Ų137.480%0.876%0.759SS**  173.5117.8108.7-86.8162.8000110.5
680V31.5Very low31.4Very low116 Ų116137 Ų13770%0.70376%0.763SS**  trans28.1124.6133.6-169.80000117.2
681H31.8Very low31.1Very low158 Ų158136.4 Ų136.473%0.73177%0.769SS**  cis-163.5-173.428.8-128.6-17.2000113.7
682H30.5Very low31Very low159 Ų159135.2 Ų135.274%0.73677%0.767SS**  trans8285.2160.3-53.7-50.9000122
683S29.9Very low31Very low106 Ų106135.6 Ų135.674%0.74177%0.768SS**  50.195.4124-49.80000120.9
684S29.3Very low30.9Very low115 Ų115136.3 Ų136.380%0.80477%0.765SS**  80.7156.476.4-59.90000116
685P41.9Very low31.1Very low109 Ų109134.5 Ų134.571%0.70876%0.757SS**  -147.8172-86.738.3-15.2000119.8
686K29.1Very low31.1Very low189 Ų189136.9 Ų136.982%0.82276%0.757SS**  trans41111.4135.5-63.8172.7-177.4177.40123.8
687S29.3Very low31Very low96 Ų96132 Ų13267%0.67174%0.743SS**  30.4147.8110.2700000125.5
688L27.4Very low31Very low169 Ų169131.9 Ų131.989%0.88574%0.743SS**  trans95.2168.9149.1-74157.3000120.6
689S29.2Very low31Very low103 Ų103130 Ų13072%0.7274%0.739SS**  trans-153.6-169.7-148.466.50000112.9
690P42.6Very low30.8Very low115 Ų115129.4 Ų129.475%0.74774%0.737SS**  cis-129.2178.3-37.736.7-20.9000113.8
691V28.5Very low30.8Very low137 Ų137130.3 Ų130.383%0.8373%0.733SS**  trans179147131.4144.80000113.7
692T27.8Very low30.8Very low118 Ų118128.6 Ų128.672%0.72473%0.73SS**  trans-28.7135178.4-35.80000121
693I31.7Very low30.8Very low143 Ų143128 Ų12873%0.73373%0.725SS**  165.1127.1121.7-86.6167.8000110.2
694L30.9Very low30.8Very low148 Ų148129.2 Ų129.278%0.77572%0.719SS**  trans59.1150.6168.2-71.4165.8000116.7
695Q31.8Very low30.9Very low158 Ų158127.1 Ų127.174%0.73870%0.701SS**  cis-147.9170.5-15.4-170.6158.41.500109.2
696T28.8Very low30.1Very low119 Ų119130.8 Ų130.873%0.7371%0.709SS**  trans-51.3153.4166.341.80000113.6
697A29Very low29.8Very low70 Ų70128.4 Ų128.458%0.57971%0.705SS**  cis-170.7168.3-6.800000110.1
698Q30.7Very low29.7Very low160 Ų160129.1 Ų129.175%0.74870%0.701SS**  trans55.8153.1147.1-73.8168.3-30.200120.4
699S27.5Very low29.7Very low86 Ų86125.7 Ų125.760%0.60169%0.691SS**  cis-178117.5-24.1167.10000108.6
700L28Very low29.8Very low143 Ų143127.2 Ų127.275%0.74969%0.691SS**  trans63.4164.7167.9-54.3166.4000113.6
701H32Very low29.1Very low135 Ų135126.4 Ų126.463%0.62569%0.688SS**  cis-153.6145.6-16.6-130-10.5000109
702N31.7Very low29.1Very low123 Ų123125.6 Ų125.666%0.65869%0.689SS**  trans61.2166.7146.7-54.3-11.1000115.4
703K30.3Very low29.3Very low146 Ų146123.3 Ų123.364%0.63569%0.689SS**  -167.414060-91.4176.4149.6-78.50111.5
704E28.9Very low29Very low131 Ų131125.2 Ų125.261%0.61269%0.694SS**  trans64.9177.1138.6-70.4137.4-154.600115.1
705T31.1Very low28.9Very low71 Ų71124.6 Ų124.644%0.43669%0.691SS.*  cis-148159.427.257.10000109.1
706E25.2Very low28.7Very low186 Ų186124.6 Ų124.687%0.86969%0.69SS**SBendcis-100143.638.2-60.4175.2169.100113.7
707L24.5Very low28.8Very low140 Ų140123 Ų12373%0.73368%0.684SS**SBendcis-96.6125.68.6-75.9165.6000114.3
708N25.3Very low28.8Very low111 Ų111125.9 Ų125.959%0.59469%0.69SS**  trans56.9131.9148.3-58.6-9.9000123.6
709S28.5Very low29Very low97 Ų97126 Ų12668%0.67869%0.69SS**  trans78.580.4153.129.10000121.2
710N30.6Very low29.1Very low134 Ų134127.3 Ų127.372%0.71769%0.69SS**  60.7103.6103.4-61.40000121.5
711S28.2Very low29.3Very low99 Ų99126 Ų12669%0.69269%0.688SS**  54128.5115.571.20000123.8
712S28.3Very low29.1Very low120 Ų120127 Ų12784%0.83969%0.693SS**  trans65.5150.9133.267.20000122
713G32.1Very low29Very low70 Ų70128.3 Ų128.372%0.72270%0.699SS**  trans95.8134.5-178.600000111.3
714Q25.8Very low29.1Very low183 Ų183129.5 Ų129.586%0.85571%0.707SS**  cis69.913621.7-143.6-167.1-5.700114.6
715I28.1Very low29.4Very low135 Ų135128.4 Ų128.469%0.69271%0.712SS**  trans83.2122.6169.5-67.1166.1000116.8
716H29.2Very low29.1Very low157 Ų157133 Ų13373%0.72773%0.732SS**  trans32.2124.6146.4-66.4-95000119.9
717S28.9Very low29.5Very low86 Ų86129 Ų12960%0.60173%0.725SS**  81.2156.152.587.10000115.2
718D30.4Very low30.1Very low131 Ų131128.5 Ų128.570%0.70173%0.73SS**  trans103.7124.3167.7-52.7-0000111.3
719E33.8Very low30.4Very low161 Ų161128.7 Ų128.775%0.75274%0.74SS**  cis145.4160.131.9-99.5-153.9154.400102.8
720N30.1Very low30.5Very low114 Ų114129.2 Ų129.261%0.6174%0.744SS**  cis-163.1165.4-4.9-124.6-25.2000109.9
721V32.9Very low30.5Very low117 Ų117127.9 Ų127.971%0.70975%0.745SS**  trans66.5139.3145.21640000118.2
722E27.5Very low30.8Very low156 Ų156128.1 Ų128.173%0.72974%0.744SS**  cis-156.1157.41.9-130.8-178126.900114.1
723L29.6Very low30.7Very low150 Ų150129.9 Ų129.979%0.78574%0.744SS**  trans65.3170.2149.7-81.8171.9000124.5
724Q33.1Very low30.5Very low170 Ų170133.7 Ų133.779%0.79475%0.746SS**  trans-111.3175.6-160.9-79.1-173.610.700111.7
725P33.6Very low30.5Very low109 Ų109129.2 Ų129.271%0.70874%0.736SS**  cis-157.6168.236.945-22.3000122.7
726L26.4Very low30.4Very low167 Ų167127.6 Ų127.687%0.87474%0.736SS**  trans53.9148.3141.4-67.9168.2000124.2
727S33.7Very low30.3Very low103 Ų103125.9 Ų125.972%0.7274%0.742SS**  trans-96.5173.1-168.7570000116.1
728P37.2Very low30.2Very low128 Ų128131.9 Ų131.983%0.83176%0.757SS**  -134.6171.1110.839.1-31.1000116.1
729S31.3Very low29.9Very low116 Ų116132 Ų13281%0.81176%0.757SS**  trans-68.816217957.50000114.1
730S29.8Very low29.6Very low107 Ų107129.3 Ų129.375%0.74876%0.756SS**  cis-150.8-173.717.565.90000109.5
731S29.9Very low29.6Very low107 Ų107132.5 Ų132.575%0.74877%0.767SS**  cis-154159.89.4-137.80000109.9
732P35.2Very low29.5Very low103 Ų103134 Ų13467%0.66977%0.769SS**  trans-122.3139.6-138.939.4-29.4000120
733L26.3Very low29.5Very low158 Ų158130.6 Ų130.683%0.82776%0.763SS**  62129.6128.3-56.5171.8000119.8
734L27.9Very low29.3Very low149 Ų149131.3 Ų131.378%0.7877%0.767SS**  cis79100.225.3-95.681.8000118.9
735S26.2Very low29Very low90 Ų90127.4 Ų127.463%0.62976%0.758SS**  66.9120.6116.172.10000124
736S26.1Very low28.9Very low101 Ų101130.9 Ų130.971%0.70677%0.765SS**  70.1131.5125.766.50000123.6
737S26.2Very low29Very low121 Ų121127.2 Ų127.285%0.84675%0.754SS**  trans77.1142.4154.3820000119.2
738K27.7Very low28.9Very low212 Ų212130.1 Ų130.192%0.92276%0.756SS**  trans-156.5140.5158.8-124.1-179.6-176.5-178.80109.3
739L24.3Very low28.5Very low134 Ų134131 Ų13170%0.70275%0.749SS**  trans-116.9150.3172.8-160.280.5000109.3
740S27.1Very low28.6Very low103 Ų103132.2 Ų132.272%0.7274%0.744SS**  trans58138.1161.643.60000120.2
741Q29.9Very low28.5Very low181 Ų181131.4 Ų131.485%0.84674%0.739SS**  trans-76.5158.4158.2-63.8169.5-12.600108.7
742I30.7Very low28.4Very low148 Ų148133.3 Ų133.376%0.75974%0.741SS**  -179.414881.2-87174.9000106.2
743S26.6Very low28.2Very low86 Ų86133 Ų13360%0.60174%0.741SS**  cis-169.7-176.1-2267.90000108.4
744L26.5Very low28.3Very low164 Ų164135.5 Ų135.586%0.85974%0.741SS**  trans68.4140.3173.6-61.6165.5000115.8
745S27Very low28.4Very low88 Ų88134 Ų13462%0.61574%0.742SS**  cis-162.7140.4-7.849.30000112.6
746Q30.6Very low28.6Very low183 Ų183133.8 Ų133.886%0.85575%0.745SS**  trans65.8141.9160.8-61.2172.710.300117.6
747S29.1Very low28.9Very low90 Ų90138.3 Ų138.363%0.62975%0.747SS**  cis-163.3149.3-14.1-94.30000110.8
748Q30.6Very low29.9Very low163 Ų163138.1 Ų138.176%0.76274%0.743SS**  trans66.9148163.6-70.5159.9-95.600116.7
749E28.5Very low29.9Very low148 Ų148135.2 Ų135.269%0.69274%0.737SS**  cis-155.8165.59.9-135.4160.1-129.300113.8
750I33.5Very low30.5Very low140 Ų140138.9 Ų138.972%0.71874%0.742SS**  trans77.395.5158.8-57.9164.9000120.5
751S28.4Very low30.7Very low91 Ų91143.2 Ų143.264%0.63675%0.748SS**  trans13.5155132.859.50000124
752D27.9Very low31.1Very low146 Ų146139.5 Ų139.578%0.78174%0.739SS**  cis-172145.7-14.6-106-49.6000115
753S30.8Very low31.1Very low98 Ų98140.9 Ų140.969%0.68574%0.74SS**  trans68.6161.8153.385.20000121
754Y28.9Very low31.2Very low210 Ų210147.2 Ų147.282%0.82475%0.751SS**  cis-160.1152.56.5-126.2-47.4000114.2
755C28.8Very low31.5Very low117 Ų117149.6 Ų149.679%0.79175%0.749SS**  trans69.8156.6153.2-81.80000121.7
756A32.1Very low31.8Very low85 Ų85154.8 Ų154.870%0.70276%0.756SS**  cis-161.4141.2-8.800000110.5
757R31.8Very low31.7Very low197 Ų197152.7 Ų152.774%0.74375%0.75SS**  61.4146.491.5-106-171.3-166.1178.311.7117.5
758P47Very low31.7Very low116 Ų116153.5 Ų153.575%0.75376%0.756SS**  -138.3170.462.541.1-23.6000115
759N28.4Very low31.6Very low152 Ų152157.9 Ų157.981%0.81377%0.766SS**  -165.7127.171.4-134.7-19.3000111.6
760R35.6Very low31.8Very low210 Ų210155 Ų15579%0.79277%0.768SS**  trans-162.5137.1177.2-80.2-166.5179.3179.7-0.3113.8
761K31.9Very low31.8Very low195 Ų195154.1 Ų154.185%0.84877%0.771SS**  trans-158.4166.9167.4-78.1-174.5-176.7167.80109
762P38.7Very low31.9Very low103 Ų103153.9 Ų153.967%0.66977%0.774SS**  cis-135.7151.8-16.532.8-13.3000116.9
763K31.4Very low32.2Very low176 Ų176152.9 Ų152.977%0.76578%0.775SS**  trans55.6140.7140.5-60173.4-177.5177.40120.8
764R28.4Very low32.4Very low220 Ų220153.3 Ų153.383%0.8378%0.776SS**  cis-153.9144.8-8.5-118.4168.9-175.4179.6-2.4107.8
765Y31.8Very low32.5Very low213 Ų213149.2 Ų149.284%0.83577%0.773SS**  trans-146.6177.3-166.4-134.9-103.7000112.8
766R32.9Very low32.9Very low197 Ų197149.5 Ų149.574%0.74377%0.774SS**  trans-48.1153.7-178.1-69176.1171.2164.3-4.8116.7
767N28.7Very low32.9Very low139 Ų139150.7 Ų150.774%0.74377%0.772SS**  trans54.9126.6138-63.630.3000119.3
768S28.9Very low32.8Very low108 Ų108147.1 Ų147.176%0.75577%0.772SS**  83.7125.859.8-550000114.7
769R29.7Very low31.9Very low255 Ų255146.7 Ų146.796%0.96277%0.768SS**  trans67.5153.1160.9-146170.7-172.5176.51.8117
770A33.4Very low32.1Very low88 Ų88146.2 Ų146.273%0.72776%0.764SS**  trans-84.6153-170.500000114.3
771P31.5Very low31.7Very low121 Ų121144.2 Ų144.279%0.78677%0.765SS**  trans-87157153.936.5-31.4000111
772A30.6Very low31.6Very low86 Ų86140.6 Ų140.671%0.71176%0.76SS**  cis-161.8151.8-17.500000109.5
773P34.1Very low31.2Very low124 Ų124141.5 Ų141.581%0.80576%0.764SS**  trans-92.3159.1163.337.2-32.9000111.6
774P35.1Very low31.3Very low108 Ų108140 Ų14070%0.70177%0.769SS**  trans-110.7151.4162.636.5-28.2000113.1
775T32.6Very low31.5Very low123 Ų123134.4 Ų134.476%0.75576%0.759SS**  trans66156.2161.135.40000117.6
776P36.4Very low31.8Very low124 Ų124131.7 Ų131.781%0.80576%0.759SS**  cis-104.7150.115.339-33.4000117.8
777T32Very low31.5Very low110 Ų110127.6 Ų127.668%0.67576%0.761SS**  trans-38.2141.8150.4-42.90000111.1
778T29.9Very low31.9Very low121 Ų121126 Ų12674%0.74276%0.758SS**  -161.3134.776.8-61.60000114
779T28.9Very low31.8Very low108 Ų108126.7 Ų126.766%0.66376%0.758SS**  trans32.2105.7155.4-48.50000118.6
780I30.8Very low31.7Very low141 Ų141120.8 Ų120.872%0.72375%0.751SS**  86.5134.657.2-67.2166.3000113.7
781M27.4Very low31.2Very low168 Ų168122.2 Ų122.283%0.82876%0.755SS**  trans77.7143.6179.6-55.2-110.4176.600114.9
782T30.1Very low31.4Very low119 Ų119124.2 Ų124.273%0.7376%0.758SS**  cis-147.3146.71-6.40000114.7
783T31Very low31.4Very low122 Ų122125.1 Ų125.175%0.74876%0.757SS**  trans-37150.8167.154.20000120.7
784V33.8Very low31Very low144 Ų144126.4 Ų126.487%0.87376%0.756SS**  trans-156.1165.6157.1133.70000109
785T32.8Very low31.3Very low104 Ų104126.6 Ų126.664%0.63876%0.76SS**  -153.4158-92.722.50000113.4
786N36.1Very low31.3Very low155 Ų155126.2 Ų126.283%0.82976%0.76SS**  trans75.9151.8155.8-64.1-12.4000123
787S26.6Very low30.9Very low111 Ų111125.2 Ų125.278%0.77676%0.756SS**  trans-72.9173158.8-18.90000111
788P37.5Very low30.5Very low106 Ų106127.7 Ų127.769%0.68876%0.761SS**  cis-145.2161.439.245-25.9000119.1
789T27.9Very low30.6Very low122 Ų122128 Ų12875%0.74876%0.759SS**  trans51.7155.6138.859.50000124.9
790T26.2Very low30.8Very low132 Ų132131.8 Ų131.881%0.8177%0.769SS**  trans72.758.4146.8400000119.6
791S24.2Very low30.9Very low118 Ų118129.9 Ų129.983%0.82577%0.768SS**  trans-158.4153.3133.555.50000108.5
792L35.9Very low31.2Very low163 Ų163127.7 Ų127.785%0.85376%0.764SS**  cis-49.8175.7-14.7-73.8169.3000114.2
793P29.6Very low31.3Very low105 Ų105128.8 Ų128.868%0.68276%0.764SS**  cis-113.2-165.7724.31.4000111.3
794L25.6Very low31.1Very low151 Ų151131.5 Ų131.579%0.79177%0.768SS**  cis-154.6144.439.1-76154.3000112.2P796L794-P796 VanDerWaalsContact O-CD 3.22Å; L794-P796 WeakPolarHBondContact O-CD 3.18Å
795S42.5Very low31.4Very low112 Ų112129.7 Ų129.778%0.78376%0.759SS**PPolyproline II helixtrans-81116.5151.252.60000109.8
796P32.8Very low31.8Very low115 Ų115130.3 Ų130.375%0.74777%0.765SS**PPolyproline II helixtrans-84.3128.1142.731.6-28.6000109.2L794L794-P796 VanDerWaalsContact O-CD 3.22Å; L794-P796 WeakPolarHBondContact O-CD 3.18Å
797S26.3Very low32.3Very low102 Ų102128.4 Ų128.471%0.71376%0.761SS**PPolyproline II helixtrans-54.4167.6157.4440000112.5
798M25.4Very low33.4Very low162 Ų162128.5 Ų128.580%0.79876%0.759SS**  trans71.594.8171-43.3-172.675.400113.6
799N30.2Very low33.6Very low129 Ų129128.5 Ų128.569%0.6976%0.759SS**  -162.7152.560.1-81.2-48.8000112.7
800Q35Very low33.7Very low186 Ų186134 Ų13487%0.86977%0.766SS**  trans51.1122154.7-60.2163.95.300118.3
801S32.2Very low34.2Very low102 Ų102139.2 Ų139.271%0.71377%0.771SS**  cis-165.5119.6-1042.90000106.9
802V33.7Very low34.6Very low122 Ų122137.7 Ų137.774%0.73976%0.76SS**  64.3103.81011750000112.4
803I31.2Very low34.4Very low142 Ų142139.3 Ų139.373%0.72877%0.766SS**  74127.275.6-71.2164.3000110.5
804E27.5Very low34.5Very low179 Ų179141.8 Ų141.884%0.83676%0.762SS**  cis-155.2-157.17.6-120.7-171.713700111.4
805P40.7Very low34.8Very low105 Ų105142.1 Ų142.168%0.68276%0.764SS**  trans-108.3-165.8-162.547.3-40.7000115
806P39.8Very low34.4Very low118 Ų118140.3 Ų140.377%0.76675%0.746SS**  cis-117.7-114.7-13.922.63.8000115.2
807P47.2Very low34.7Very low114 Ų114140.2 Ų140.274%0.7475%0.745SS**  -122.9-155.6-121.748.6-30.3000115.3
808P50.2Low34.9Very low114 Ų114141.4 Ų141.474%0.7474%0.744SS**  -128.6-144.7-118.840.9-16.1000111.8
809P41.9Very low35.2Very low106 Ų106138.6 Ų138.669%0.68874%0.736SS**  cis-132.4-174.6-19.841.6-24.5000114.6
810R30.7Very low35.6Very low236 Ų236137.5 Ų137.589%0.89174%0.736SS**  trans150.9144.8138.5-86.1175.2-173.3-105.41.1115.3
811R34.9Very low35.5Very low243 Ų243136.3 Ų136.392%0.91773%0.73SS**  trans170.3167.6135.7-96.4-177-173.8-178.13.4109.9
812S34.5Very low35.5Very low86 Ų86137 Ų13760%0.60173%0.73SS**  cis178.8150.8-46.755.10000109.9
813M30.4Very low35.3Very low197 Ų197135.1 Ų135.197%0.9772%0.722SS**  trans-115.7161.1148.6-89.2-65-168.700109.6
814R31.7Very low35.3Very low157 Ų157135.1 Ų135.159%0.59272%0.724SS**  trans-144.4153.5-145.8-171.4-173.8-174.6-1712.7113.1N816R814-N816 HydrophobicContact CG-CB 4.24Å; R814-N816 VanDerWaalsContact NE-CG 3.34Å; R814-N816 PolarHBondContact NE-OD1 2.83Å; R814-N816 VanDerWaalsContact NH2-CG 3.27Å; R814-N816 PolarHBondContact NH2-ND2 3.4Å; R814-N816 PolarHBondContact NH2-OD1 2.7Å
815N33.1Very low35.4Very low157 Ų157130.8 Ų130.884%0.8471%0.713SS**  trans-175.2112.8139.4-84.3-20.8000105.2
816N33.7Very low35Very low74 Ų74132 Ų13240%0.39671%0.714SS.*  cis59.7146.645.9-108.878.7000112.7R814 D818R814-N816 HydrophobicContact CG-CB 4.24Å; R814-N816 VanDerWaalsContact NE-CG 3.34Å; R814-N816 PolarHBondContact NE-OD1 2.83Å; R814-N816 VanDerWaalsContact NH2-CG 3.27Å; R814-N816 PolarHBondContact NH2-ND2 3.4Å; R814-N816 PolarHBondContact NH2-OD1 2.7Å; N816-D818 WeakPolarHBondContact ND2-CA 3.39Å
817P39.3Very low34.8Very low113 Ų113133.6 Ų133.673%0.73471%0.713SS**  cis-65.1167.79.926.7-37.4000116.8
818D28.9Very low34.4Very low128 Ų128135.5 Ų135.568%0.68472%0.717SS**  cis-150-161.8-4.2-132-52.5000114.9N816N816-D818 WeakPolarHBondContact ND2-CA 3.39Å
819T33.5Very low33.6Very low103 Ų103137.3 Ų137.363%0.63272%0.72SS**  trans-155151.8179.923.30000110.8
820P37.2Very low33.5Very low106 Ų106137.3 Ų137.369%0.68872%0.72SS**  -156.5178.994.543.9-26000117.3
821H33.7Very low33.6Very low160 Ų160133.1 Ų133.174%0.74172%0.715SS**  trans67.7115.9159.6-68.6-54.3000118.6
822T32.4Very low33.3Very low117 Ų117130.6 Ų130.672%0.71871%0.707SS**  62.7139.472.463.70000114.2
823S28.4Very low33.2Very low82 Ų82131.3 Ų131.357%0.57370%0.7SS**  cis-176.7168.1-17.448.70000106.8
824D31.9Very low33.3Very low143 Ų143125.5 Ų125.577%0.76567%0.673SS**  trans64.6161.9162.2-41.2-48.7000116.7
825S29.6Very low33.2Very low88 Ų88122.4 Ų122.462%0.61567%0.667SS**  cis-155.9166.4-37.8580000110.3
826D31.4Very low33Very low131 Ų131118.3 Ų118.370%0.70166%0.662SS**  trans73.8151.7154.5-49.5-48000123
827M37.4Very low32.8Very low151 Ų151122.8 Ų122.874%0.74468%0.678SS**  trans75.2105.9162.3-49.1-46.7173.700121.6
828D37.1Very low32.3Very low153 Ų153122.6 Ų122.682%0.81868%0.679SS**  trans72.4129.6132.3-56.7-27.7000123.3
829D33.6Very low32.6Very low153 Ų153126.6 Ų126.682%0.81868%0.684SS**  trans-64.1167158.2-120.8-13.1000111
830P39.8Very low33Very low106 Ų106129.8 Ų129.869%0.68869%0.692SS**  cis-137.2167.94.939.6-20.9000117.4
831D32.8Very low33Very low147 Ų147128.8 Ų128.879%0.78668%0.68SS**  trans33114.7150.7-98.5-28000120.2
832Y29.8Very low33.3Very low190 Ų190128.2 Ų128.275%0.74568%0.678SS**  -171.6139.6114-119.6-123.4000115
833K30.7Very low33.5Very low102 Ų102130.1 Ų130.144%0.44368%0.678SS.*  trans26.2129.8152.3-62.9-175-173.7-177.90123.5E858K833-E858 IonicContact NZ-OE1 3.67Å; K833-E858 PolarHBondContact NZ-OE1 2.82Å; K833-E858 IonicContact NZ-OE2 2.68Å; K833-E858 PolarHBondContact NZ-OE2 3.24Å
834N32.3Very low33.8Very low75 Ų75132.3 Ų132.340%0.40169%0.688SS.*  trans72.5126.2131.5-76.5-20.9000122.6N856 K857N834-N856 PolarHBondContact ND2-O 2.78Å; N834-K857 PolarHBondContact ND2-O 2.88Å
835L31.2Very low33.8Very low92 Ų92129.6 Ų129.648%0.48268%0.68SS.*  trans59.393.8131.8-59.2165.5000119.3M855 N856L835-M855 HydrophobicContact CD1-CB 3.86Å; L835-M855 WeakPolarHBondContact CD1-O 3.4Å; L835-M855 HydrophobicContact CD2-CB 3.96Å; L835-M855 HydrophobicContact CD2-CE 4.14Å; L835-M855 HydrophobicContact CD2-SD 4.21Å; L835-N856 WeakPolarHBondContact CD1-O 3.47Å
836G28.6Very low33.9Very low70 Ų70131.9 Ų131.972%0.72269%0.686SS**  trans-75.8-164.1150.900000112.5
837K30Very low33.8Very low168 Ų168135.1 Ų135.173%0.7369%0.693SS**  trans-166.9114.2160.4-113.4163.9-176173.90115.3
838S29Very low33.3Very low109 Ų109133.3 Ų133.376%0.76270%0.696SS**  trans65.1-170132.6-51.50000120.1
839R34.4Very low33.1Very low212 Ų212131 Ų13180%0.869%0.691SS**  trans90.3156.2171.1-42.9176.9179.5-162.10.5113.4
840Q42.7Very low33Very low170 Ų170129.3 Ų129.379%0.79469%0.692SS**  cis-139.3178.318.7-63.2-175.33.800113.9
841I36Very low32.5Very low86 Ų86130.2 Ų130.244%0.44170%0.7SS.*  cis-164.6148.4-41.1-85.8159.5000103.3Q843I841-Q843 HydrophobicContact CG2-CG 4.26Å
842H41.1Very low32.6Very low148 Ų148128.5 Ų128.569%0.68570%0.697SS**  175.4117.5108.4-91.1-79.3000106.9
843Q35.4Very low32.6Very low156 Ų156126.2 Ų126.273%0.72970%0.698SS**  76.6137.183.7-78.2-176.7-4.200112.5I841I841-Q843 HydrophobicContact CG2-CG 4.26Å
844V34.6Very low32.5Very low129 Ų129126 Ų12678%0.78271%0.709SS**  cis-163.7165-0.392.40000108
845S32.6Very low32.3Very low85 Ų85128 Ų12859%0.59472%0.718SS**  cis-158178.7-5.1-152.10000111.7
846D31Very low32.3Very low137 Ų137128.3 Ų128.373%0.73372%0.72SS**  trans41.586.3147.3-59.6-51.7000121.8
847K29.5Very low32.6Very low198 Ų198131.4 Ų131.486%0.86171%0.713SS**  177134.1101.1-94.9163.6-175.9171.10114.5
848S27.1Very low32.7Very low113 Ų113127.5 Ų127.579%0.7970%0.698SS**  trans71.7150.9155.2780000121
849S32.7Very low33.1Very low104 Ų104128.1 Ų128.173%0.72769%0.689SS**  trans78.4117164.771.40000121.2
850S32.4Very low33Very low119 Ų119122 Ų12283%0.83267%0.669SS**  trans47.8102.3149.547.60000120.9
851S29.7Very low32.7Very low124 Ų124118.2 Ų118.287%0.86765%0.654SS**  trans-94.4156.8170.8-48.90000114.2
852P34.9Very low32.7Very low111 Ų111118.2 Ų118.272%0.72165%0.651SS**  trans-108.4172.6178.641.1-35.8000115.6
853N27.9Very low32.3Very low142 Ų142116.4 Ų116.476%0.75965%0.646SS**  trans54.5107.6148.2-71.3-13.1000123.2
854S28.8Very low32.3Very low98 Ų98115.6 Ų115.669%0.68565%0.647SS**  80.5142119.677.50000124
855M27.9Very low32.1Very low116 Ų116116 Ų11657%0.57164%0.644SS**  trans7597.3166-59.6-169.869.500120.7L835L835-M855 HydrophobicContact CD1-CB 3.86Å; L835-M855 WeakPolarHBondContact CD1-O 3.4Å; L835-M855 HydrophobicContact CD2-CB 3.96Å; L835-M855 HydrophobicContact CD2-CE 4.14Å; L835-M855 HydrophobicContact CD2-SD 4.21Å
856N31.8Very low32.4Very low100 Ų100117.5 Ų117.554%0.53565%0.652SS.*  56.7110.3122.9-58.6-9.7000123.6N834 L835N834-N856 PolarHBondContact ND2-O 2.78Å; L835-N856 WeakPolarHBondContact CD1-O 3.47Å
857K34.8Very low33Very low134 Ų134114.9 Ų114.958%0.58364%0.639SS**  55.1136.6119.3-72.2169.7146.8-71.50120N834N834-K857 PolarHBondContact ND2-O 2.88Å
858E33.4Very low33.2Very low87 Ų87110.5 Ų110.541%0.40763%0.632SS.*  cis-165.2145.126-127.4156.1-112.600115.8K833K833-E858 IonicContact NZ-OE1 3.67Å; K833-E858 PolarHBondContact NZ-OE1 2.82Å; K833-E858 IonicContact NZ-OE2 2.68Å; K833-E858 PolarHBondContact NZ-OE2 3.24Å
859E36Very low33.5Very low121 Ų121110.6 Ų110.657%0.56563%0.627SS**  trans46.8132.4132.5-63.2173.7-164.300126.4I872E859-I872 HydrophobicContact CB-CD1 3.85Å; E859-I872 HydrophobicContact CB-CG1 4.25Å; E859-I872 HydrophobicContact CG-CD1 3.78Å; E859-I872 HydrophobicContact CG-CG1 4.23Å
860E32.4Very low33.7Very low85 Ų85108.2 Ų108.240%0.39761%0.611SS.*  178.5-173.1117.4-107.7-7092.100113.4R871 I872E860-R871 WeakPolarHBondContact O-CB 3.38Å; E860-R871 VanDerWaalsContact O-CD 3.29Å; E860-R871 WeakPolarHBondContact O-CD 3.34Å; E860-R871 WeakPolarHBondContact O-CG 3Å; E860-R871 PolarHBondContact O-NE 3.11Å; E860-I872 VanDerWaalsContact O-CB 3.24Å; E860-I872 WeakPolarHBondContact O-CB 3.45Å; E860-I872 WeakPolarHBondContact O-CG1 3.31Å
861L36.1Very low33.5Very low89 Ų89109.3 Ų109.347%0.46660%0.597SS.*  trans-75.8159.4-165-71164.5000121.6R871 I872L861-R871 WeakPolarHBondContact O-CD 3.4Å; L861-R871 VanDerWaalsContact O-CZ 3.24Å; L861-R871 PolarHBondContact O-NE 3.4Å; L861-R871 PolarHBondContact O-NH1 3.1Å; L861-I872 HydrophobicContact CB-CG2 4.26Å; L861-I872 HydrophobicContact CD2-CG2 3.62Å; L861-I872 HydrophobicContact CG-CG2 3.86Å
862K37.2Very low33.6Very low86 Ų86105.6 Ų105.637%0.37457%0.567SS.*  cis-156.2-150.5-21.7-134.2-166.9-174-50.60118.2S870 R871 I872K862-S870 CarbonylContact C-O 3.56Å; K862-S870 CarbonylContact O-C 3.59Å; K862-S870 PolarHBondContact O-OG 3.13Å; K862-R871 VanDerWaalsContact CA-O 3.31Å; K862-R871 WeakPolarHBondContact CA-O 3.43Å; K862-R871 WeakPolarHBondContact CG-O 3.11Å; K862-I872 VanDerWaalsContact CE-O 3.24Å; K862-I872 WeakPolarHBondContact CE-O 3.23Å; K862-I872 HydrophobicContact CG-CG2 4.44Å; K862-I872 PolarHBondContact NZ-O 3.47Å
863D31.8Very low33.2Very low110 Ų110104.9 Ų104.959%0.58856%0.557SS**  trans-96.3152.7-157.6-42.6-56.3000118.5
864D36.8Very low33.2Very low139 Ų139105.4 Ų105.474%0.74355%0.554SS**  -174.9158.8124.3-134-30.1000113.2N867D864-N867 WeakPolarHBondContact O-CB 2.88Å; D864-N867 PolarHBondContact O-ND2 3.45Å
865N28.5Very low33.1Very low137 Ų137103.8 Ų103.873%0.73354%0.538SS*.SBendtrans-76.9163.6-163-127.70.1000117.2N867N865-N867 VanDerWaalsContact C-CG 3.5Å; N865-N867 VanDerWaalsContact C-ND2 3.31Å; N865-N867 PolarHBondContact O-ND2 2.95Å; N865-N867 VanDerWaalsContact O-ND2 3.15Å; N865-N867 PolarHBondContact OD1-N 3.11Å
866P40.5Very low33Very low117 Ų117106.1 Ų106.176%0.7654%0.541SS*.SBendcis-94.5539.140.6-39.2000113.8
867N42Very low33.1Very low83 Ų83109.8 Ų109.844%0.44456%0.555SS.*  trans-118.1148.5-130.1-89.5-20.4000113.5D864 N865D864-N867 WeakPolarHBondContact O-CB 2.88Å; D864-N867 PolarHBondContact O-ND2 3.45Å; N865-N867 VanDerWaalsContact C-CG 3.5Å; N865-N867 VanDerWaalsContact C-ND2 3.31Å; N865-N867 PolarHBondContact O-ND2 2.95Å; N865-N867 VanDerWaalsContact O-ND2 3.15Å; N865-N867 PolarHBondContact OD1-N 3.11Å
868C35.2Very low33.1Very low106 Ų106109.7 Ų109.772%0.71656%0.561SS**SBendcis58.972.333.3-55.70000113
869T33.2Very low32.7Very low114 Ų114111.5 Ų111.570%0.69956%0.564SS**  trans77.4144.3-167.775.60000113.1
870S35.8Very low32.3Very low54 Ų54111.7 Ų111.738%0.37856%0.563SS.*  cis-162.4166.2-16.8460000112.4K862K862-S870 CarbonylContact C-O 3.56Å; K862-S870 CarbonylContact O-C 3.59Å; K862-S870 PolarHBondContact O-OG 3.13Å
871R29.3Very low32.1Very low143 Ų143115.4 Ų115.454%0.5458%0.581SS.*  trans64.9106.9144.4-78.1178.5103.8-164.612.6119.8E860 L861 K862E860-R871 WeakPolarHBondContact O-CB 3.38Å; E860-R871 VanDerWaalsContact O-CD 3.29Å; E860-R871 WeakPolarHBondContact O-CD 3.34Å; E860-R871 WeakPolarHBondContact O-CG 3Å; E860-R871 PolarHBondContact O-NE 3.11Å; L861-R871 WeakPolarHBondContact O-CD 3.4Å; L861-R871 VanDerWaalsContact O-CZ 3.24Å; L861-R871 PolarHBondContact O-NE 3.4Å; L861-R871 PolarHBondContact O-NH1 3.1Å; K862-R871 VanDerWaalsContact CA-O 3.31Å; K862-R871 WeakPolarHBondContact CA-O 3.43Å; K862-R871 WeakPolarHBondContact CG-O 3.11Å
872I30.4Very low31.5Very low46 Ų46120 Ų12024%0.23659%0.593CS.*  trans81.6155131.4-113.4-110.5000125.3E859 E860 L861 K862E859-I872 HydrophobicContact CB-CD1 3.85Å; E859-I872 HydrophobicContact CB-CG1 4.25Å; E859-I872 HydrophobicContact CG-CD1 3.78Å; E859-I872 HydrophobicContact CG-CG1 4.23Å; E860-I872 VanDerWaalsContact O-CB 3.24Å; E860-I872 WeakPolarHBondContact O-CB 3.45Å; E860-I872 WeakPolarHBondContact O-CG1 3.31Å; L861-I872 HydrophobicContact CB-CG2 4.26Å; L861-I872 HydrophobicContact CD2-CG2 3.62Å; L861-I872 HydrophobicContact CG-CG2 3.86Å; K862-I872 VanDerWaalsContact CE-O 3.24Å; K862-I872 WeakPolarHBondContact CE-O 3.23Å; K862-I872 HydrophobicContact CG-CG2 4.44Å; K862-I872 PolarHBondContact NZ-O 3.47Å
873N27.2Very low31Very low96 Ų96123.8 Ų123.851%0.51361%0.611SS.*  trans60.8135.8166.2-94.1-40.5000124
874H27.8Very low30.7Very low152 Ų152123.1 Ų123.170%0.70462%0.615SS**  trans43.399.6159-100.9-103.8000118.3
875L27.4Very low30.2Very low65 Ų65122.9 Ų122.934%0.3461%0.614SS.*  -168.490.5112.6-102.8157.8000113.1Q877 N878 R879 K880L875-Q877 CarbonylContact O-C 3.3Å; L875-N878 PolarHBondContact O-N 3.02Å; L875-R879 HydrophobicContact CD2-CB 4.49Å; L875-K880 HydrophobicContact CD1-CD 3.93Å; L875-K880 HydrophobicContact CD1-CG 4.45Å
876Y25.9Very low30.1Very low165 Ų165122.3 Ų122.365%0.64761%0.611SS**SBendtrans56.1-159.8158.7-78.6-121.7000114.2R879Y876-R879 HydrophobicContact CD1-CG 4.35Å; Y876-R879 HydrophobicContact CG-CG 4.23Å
877Q34.5Very low29.5Very low177 Ų177123.4 Ų123.483%0.82761%0.61SS**SBendtrans-55.1134.4132.7-72.8178.4-2200106.7L875 R879L875-Q877 CarbonylContact O-C 3.3Å; Q877-R879 WeakPolarHBondContact O-CB 3.29Å; Q877-R879 PolarHBondContact O-N 2.8Å
878N33.3Very low29Very low132 Ų132126.5 Ų126.571%0.70663%0.626SS**  trans-55.2115.3163.6-73.3-60.6000106.9L875 K880L875-N878 PolarHBondContact O-N 3.02Å; N878-K880 WeakPolarHBondContact OD1-CE 3.27Å; N878-K880 PolarHBondContact OD1-NZ 2.75Å
879R25.1Very low28.8Very low124 Ų124131.4 Ų131.447%0.46864%0.636SS.*  cis41.585.819.9-76.6-152.3173.9-170-0.6114L875 Y876 Q877L875-R879 HydrophobicContact CD2-CB 4.49Å; Y876-R879 HydrophobicContact CD1-CG 4.35Å; Y876-R879 HydrophobicContact CG-CG 4.23Å; Q877-R879 WeakPolarHBondContact O-CB 3.29Å; Q877-R879 PolarHBondContact O-N 2.8Å
880K27.6Very low28.4Very low125 Ų125131.1 Ų131.154%0.54364%0.638SS.*  -161.9131.6115.7-96.8147.3-77.9-174.20104.8L875 N878L875-K880 HydrophobicContact CD1-CD 3.93Å; L875-K880 HydrophobicContact CD1-CG 4.45Å; N878-K880 WeakPolarHBondContact OD1-CE 3.27Å; N878-K880 PolarHBondContact OD1-NZ 2.75Å
881Q28.3Very low27.9Very low164 Ų164135.8 Ų135.877%0.76666%0.656SS**  cis-129.1147.57.3-94.9116.4-6.600110.3
882Y24.9Very low27.9Very low186 Ų186134.6 Ų134.673%0.72967%0.665SS**  54126.296.3-85.1-92.5000116.6
883H25.6Very low27.9Very low164 Ų164137.1 Ų137.176%0.75969%0.686SS**  trans65.3116.5171.1-78.6-68.5000120.5
884S25.4Very low28.1Very low96 Ų96139.6 Ų139.667%0.67170%0.698SS**  trans58.1136.4132.4-53.60000121.2
885N27Very low28.2Very low135 Ų135140.5 Ų140.572%0.72270%0.703SS**  trans73130.5160.4-75.856.1000119.3
886D26.9Very low28.4Very low125 Ų125142.9 Ų142.967%0.66872%0.72SS**  trans63.8130.6135.5-56.7-38000123.1
887L26.7Very low28.5Very low140 Ų140141 Ų14173%0.73373%0.726SS**  trans51.6115.6137.4-70.9160.3000120.2
888N32.3Very low28.5Very low147 Ų147140.9 Ų140.979%0.78673%0.729SS**  trans41.5105.7132.4-61.2-9.3000118.4
889K30.1Very low28.5Very low209 Ų209138.8 Ų138.891%0.90973%0.73SS**  trans-101.595.7151.9-75.4-160.1172-170.50112.2
890S25.1Very low29.2Very low108 Ų108138.9 Ų138.976%0.75575%0.747SS**  trans-72.9133.6134.1-172.80000108.1
891M26Very low29.5Very low153 Ų153137.9 Ų137.975%0.75476%0.756SS**SBendtrans44.5149.5152.9-72.2-72.3-100.800123.3
892T29.3Very low29.7Very low117 Ų117138.2 Ų138.272%0.71876%0.757SS**  trans71.8117.1152.142.10000122.3
893S28.8Very low30Very low99 Ų99135 Ų13569%0.69275%0.752SS**  69.1117.6127.8-56.90000124.8
894I31.6Very low30.2Very low148 Ų148134 Ų13476%0.75975%0.748SS**  62.891.9123.4-53.9170.8000119.6
895Q30.4Very low30.6Very low171 Ų171136.6 Ų136.680%0.79975%0.749SS**  74.9139.5115.3-150.1160.6-34.600123.4
896T31.1Very low30.7Very low116 Ų116136.7 Ų136.771%0.71275%0.75SS**  trans78.591.7156.323.30000122.9
897T28.1Very low31.1Very low126 Ų126139.2 Ų139.277%0.77376%0.757SS**  49.8119119.3-39.10000123.1
898I33.9Very low31.3Very low173 Ų173138.9 Ų138.989%0.88776%0.756SS**  -177.9166.8127-93.7159.4000109.4
899A33.1Very low31.2Very low89 Ų89138.5 Ų138.574%0.73675%0.753SS**  trans-133.6-162.1-160.100000114.8
900P40.5Very low31.2Very low126 Ų126134.7 Ų134.782%0.81875%0.747SS**  -134.8-176.3-119.739.8-18000117.4
901S34.6Very low31.3Very low104 Ų104134.9 Ų134.973%0.72775%0.747SS**  trans-163.8131.6166.761.60000116.7
902H32.9Very low31.4Very low171 Ų171135.8 Ų135.879%0.79275%0.754SS**  trans52.4154.6135.2-76.4-105.9000122.5
903L29.6Very low31.3Very low119 Ų119135.4 Ų135.462%0.62375%0.754SS**  cis-171.2145.6-23.1-162.576000111.3
904E30.7Very low31.5Very low142 Ų142135.4 Ų135.466%0.66475%0.754SS**  trans67.4146.9145.2-91.8171.4-138.800128.4
905Q33.4Very low31.5Very low151 Ų151139.4 Ų139.471%0.70676%0.761SS**  trans7899.9141.7-74.5-173.863.900125.3
906N30.2Very low31.4Very low137 Ų137135.8 Ų135.873%0.73375%0.754SS**  63.4138.8108.9-95.2-14000125.5
907Q33.9Very low31.3Very low177 Ų177136.6 Ų136.683%0.82775%0.754SS**  trans68.7166.3154.9-64178.626.600119.5
908N31.2Very low31.4Very low134 Ų134137.6 Ų137.672%0.71775%0.75SS**  -166.2156.2-53.5-155.13.9000109.7
909I30.7Very low31.2Very low139 Ų139135.9 Ų135.971%0.71374%0.741SS**  trans69.1128.4167-52.7160.5000114.9
910T30.2Very low31.1Very low128 Ų128140.1 Ų140.179%0.78574%0.743SS**  -170.5157.481.8-45.50000112.7
911C26.5Very low30.7Very low113 Ų113140.9 Ų140.976%0.76474%0.736SS**  trans-34.3166.4177.4-51.80000119.2
912I29.4Very low30.5Very low172 Ų172141.3 Ų141.388%0.88273%0.73SS**  cis-146165.241.2-70.3173.2000112.5
913C27.4Very low30.5Very low108 Ų108138.7 Ų138.773%0.7372%0.722SS**  trans-132.6146.2-179.5-174.70000113.6
914S32.7Very low30.7Very low100 Ų100140 Ų14070%0.69973%0.725SS**  trans40.9125159.4-600000122.9
915Y30.7Very low30.7Very low231 Ų231138.8 Ų138.891%0.90672%0.722SS**  -164.7-176.6117.1-123.2-93.1000111.7
916C28.4Very low30.6Very low96 Ų96139.2 Ų139.265%0.64972%0.723SS**  trans-105.5170.7-161.7-45.60000116.2
917N29.8Very low30.7Very low132 Ų132140.3 Ų140.371%0.70672%0.724SS**  trans67.7155158.6-67.629.7000117.7
918E30.1Very low30.6Very low148 Ų148136.7 Ų136.769%0.69272%0.719SS**  cis-155.6146.2-15.9-115.5171136.300112
919I28.4Very low30.6Very low137 Ų137138.1 Ų138.170%0.70373%0.726SS**  trans16.7133.4147.6-44.9161.2000119.7
920K30.9Very low30.7Very low177 Ų177139.8 Ų139.877%0.7773%0.725SS**  trans140.8143.1134.8-76.7-169.1178.3179.70111.2
921Q32.2Very low30.6Very low143 Ų143141.2 Ų141.267%0.66873%0.727SS**  cis-156.8157.2-20.9-92.9-175.4-106.100104.8
922N31.6Very low31Very low112 Ų112143.8 Ų143.860%0.59973%0.726SS**  cis-146.3-172.72.7-120.523.2000105.9
923D33.6Very low30.9Very low116 Ų116140.9 Ų140.962%0.6272%0.721SS**  cis-159-176.16.1-122-35.2000106.7
924Q32.4Very low31.2Very low148 Ų148143.1 Ų143.169%0.69272%0.724SS**  cis-143.1160.12.9-134.6-159.623.800113
925I31.3Very low31.2Very low116 Ų116145.4 Ų145.460%0.59573%0.727SS**  trans-1.9129.9139.6-62.8170.8000115.7
926Q31.6Very low31.1Very low159 Ų159145.8 Ų145.874%0.74373%0.726SS**  cis-147.7129.515.8-142.5160.324.400115.8
927Q31.5Very low31.1Very low161 Ų161149.2 Ų149.275%0.75273%0.73SS**  trans36.598.6141.3-65.4170.4-24.600122
928S31.4Very low31.3Very low101 Ų101149.3 Ų149.371%0.70674%0.738SS**  36.7124.5115.662.80000121.5
929N32Very low31.4Very low164 Ų164148.8 Ų148.888%0.87775%0.745SS**  trans-133.5125.3144-138-25.3000108
930Y31.6Very low31.6Very low174 Ų174147.7 Ų147.768%0.68275%0.747SS**  trans-128.186.4-162.9-140-73.1000112.6K932Y930-K932 HydrophobicContact CD1-CG 4.41Å; Y930-K932 HydrophobicContact CE1-CD 3.81Å; Y930-K932 HydrophobicContact CE1-CG 3.96Å; Y930-K932 PolarHBondContact OH-NZ 3.26Å
931N30Very low31.7Very low157 Ų157145.5 Ų145.584%0.8475%0.751SS**  trans-103.8114.9169.3-100.4-33000110
932K33.4Very low31.6Very low168 Ų168148 Ų14873%0.7376%0.76SS**  trans-112.697.7173.3-99.9-173.4-179.3162.70110.5Y930Y930-K932 HydrophobicContact CD1-CG 4.41Å; Y930-K932 HydrophobicContact CE1-CD 3.81Å; Y930-K932 HydrophobicContact CE1-CG 3.96Å; Y930-K932 PolarHBondContact OH-NZ 3.26Å
933S28.3Very low31.5Very low111 Ų111154.4 Ų154.478%0.77678%0.775SS**  trans-13873.9174.343.30000111.4
934I34.1Very low31.3Very low155 Ų155154.3 Ų154.380%0.79578%0.783SS**  trans-116.7139.2160.2-19.8-179.6000103.6
935I31.7Very low31.8Very low148 Ų148152.6 Ų152.676%0.75979%0.785SS**  cis-152.5142.232.3-45.9161000109.6
936R28.7Very low31.9Very low238 Ų238156.5 Ų156.590%0.89880%0.798SS**  trans169.9160.7131.4-94.5163.8-174.4-154.40.6116.1
937K28.8Very low32.1Very low169 Ų169155.5 Ų155.574%0.73580%0.803SS**  trans62.8102.3168.1-67.9-179.8179.51790117.1E1108K937-E1108 IonicContact NZ-OE1 3.69Å; K937-E1108 PolarHBondContact NZ-OE1 3.05Å
938P32.7Very low32.1Very low134 Ų134151.9 Ų151.987%0.8780%0.801SS**PPolyproline II helixtrans-79.6154.5163.234.1-34000112.2
939T32.9Very low32Very low136 Ų136154.6 Ų154.683%0.83481%0.807SS**PPolyproline II helixtrans-96.5155.2178.436.20000113.4
940P32.1Very low31.9Very low115 Ų115152.8 Ų152.875%0.74780%0.801SS**PPolyproline II helixtrans-81.5155.4-172.932.5-36.3000114.2
941P33.9Very low31.7Very low131 Ų131148.9 Ų148.985%0.85180%0.8SS**PPolyproline II helixtrans-77.9156.3-17831.9-35.8000114.2
942K29.7Very low31.8Very low196 Ų196148.4 Ų148.485%0.85280%0.796SS**PPolyproline II helixtrans-90.5149.1-177.5-56174.8-178.6178.30112.7
943R29.8Very low31.7Very low246 Ų246146.7 Ų146.793%0.92880%0.795SS**  trans137.4144130.1-79.6179.4167.7173.4-3.3115.4
944S28.5Very low31.8Very low113 Ų113146.7 Ų146.779%0.7979%0.79SS**  trans-158.4171.5141.964.20000108.1
945P43.5Very low31.5Very low113 Ų113144.3 Ų144.373%0.73479%0.788SS**  -136.6166-64.939.3-25.6000113.6
946K33.2Very low31.5Very low198 Ų198141.4 Ų141.486%0.86178%0.78SS**  trans-172.2136.9137.4-112.2171.7-177.8-179.90115
947T35.4Very low31.6Very low137 Ų137138.5 Ų138.584%0.8478%0.777SS**  trans64.7153.7153.8-39.20000118.3
948A31.8Very low31.5Very low86 Ų86134.3 Ų134.371%0.71177%0.769SS**  trans-151.3-175.3-166.200000112.5
949L29.9Very low31.4Very low158 Ų158136.3 Ų136.383%0.82777%0.767SS**  trans90.198.7170.9-58.1171.2000118.2
950T29.5Very low31.2Very low125 Ų125138.6 Ų138.677%0.76777%0.768SS**  -2.7156.7120.2260000118.8
951S28.8Very low31.1Very low93 Ų93144.2 Ų144.265%0.6577%0.774SS**  cis-169.2-177.621.726.70000112.9
952L30.2Very low30.9Very low147 Ų147146.9 Ų146.977%0.7778%0.775SS**  trans89.4137164-50.2179.8000114.5
953N32.2Very low30.9Very low132 Ų132143.7 Ų143.771%0.70677%0.768SS**  cis-141.6160.412.4-108-23000115.4
954T30.2Very low30.9Very low110 Ų110140 Ų14068%0.67576%0.761SS**  trans-14.7128.4158.951.30000118.7
955S28.6Very low31Very low106 Ų106143.7 Ų143.774%0.74176%0.763SS**  84.5155.576.795.90000113.9
956S30.4Very low30.4Very low86 Ų86143.9 Ų143.960%0.60176%0.761SS**  cis-167.9166518.60000112.2
957Q31.2Very low30.3Very low178 Ų178142.1 Ų142.183%0.83276%0.756SS**  trans69.9158.7154.3-76.9162.2-38.300119.9
958S27.2Very low30Very low81 Ų81142.1 Ų142.157%0.56675%0.748SS**  cis-171-179.3-37.547.50000110.1
959E30.5Very low30Very low176 Ų176144.5 Ų144.582%0.82275%0.749SS**  trans69.1159.8168.2-65.2158.6-141.600117.3
960E29.6Very low30.1Very low184 Ų184142.4 Ų142.486%0.8675%0.748SS**  cis-154.4176.1-43.8-168.9151.7-132.200108.1
961R28.1Very low30.1Very low232 Ų232143.3 Ų143.388%0.87575%0.747SS**  trans-97138.8175.8-75.3176165.6168.9-5.4111.5
962E30.7Very low30.3Very low187 Ų187146.6 Ų146.687%0.87475%0.751SS**  -179.2-178.4106.5-96.5-165.7164.500112.9
963N29.4Very low30.4Very low129 Ų129146 Ų14669%0.6975%0.749SS**  trans-116.6156.6-165.4-54.8-83.4000112.8
964H30.9Very low30.3Very low169 Ų169143.9 Ų143.978%0.78275%0.745SS**  164.1148.5102.7-87.3-52.6000116.2
965K28.8Very low30.4Very low191 Ų191145.8 Ų145.883%0.8375%0.751SS**  trans55.3129.1151.8-73179.4174.3176.30119.8
966V32Very low30.4Very low117 Ų117148.3 Ų148.371%0.70975%0.751SS**  -172.5128.593.9148.20000110.5
967Q31.1Very low30.5Very low161 Ų161152.2 Ų152.275%0.75276%0.764SS**  trans54.2145.8160.5-73.4170.7-59.900119.7
968M28.3Very low30.5Very low136 Ų136147.4 Ų147.467%0.6776%0.755SS**  cis-129.3149.410.8-75.4-68.1-177.600113.2
969N32.5Very low30.7Very low136 Ų136150.8 Ų150.873%0.72777%0.767SS**  trans42.2112.5143-53.7-10.7000120.3
970S31.1Very low30.8Very low115 Ų115148.5 Ų148.580%0.80476%0.764SS**  82.3137.485.8-118.20000113.6
971I30.8Very low30.8Very low144 Ų144148.1 Ų148.174%0.73876%0.764SS**  cis-137.2173.916-69.4178.9000111.1
972Q33.4Very low30.9Very low161 Ų161144 Ų14475%0.75276%0.76SS**  trans-55.9-175.6167.9-46159.5-70.500113.7
973N30.4Very low31.6Very low136 Ų136140.1 Ų140.173%0.72775%0.751SS**  cis-161.9-174.816-143.30.3000114.2
974S31.5Very low31.9Very low87 Ų87141 Ų14161%0.60875%0.754SS**  trans-67.6169.1-174.5-37.10000119.6
975N32.4Very low32.1Very low149 Ų149138.5 Ų138.580%0.79776%0.756SS**  trans96.7145.6136.4-77.4-6.7000123.5
976Q28.5Very low32.3Very low160 Ų160133.1 Ų133.175%0.74876%0.755SS**  trans-40.7152.3156.7-46.1158.514.600114.1
977L31.6Very low32.3Very low168 Ų168136.5 Ų136.588%0.8876%0.763SS**  -165-172.8104.8-130.573.3000111.2
978A31.4Very low32.4Very low77 Ų77135.8 Ų135.864%0.63677%0.769SS**  trans-126.1166-167.800000114.3
979N31.6Very low32.7Very low152 Ų152132.4 Ų132.481%0.81377%0.769SS**  trans78.7132152.1-69.7-10.2000121.4
980V31.8Very low32.9Very low128 Ų128132.1 Ų132.178%0.77677%0.772SS**  trans84.8103.5147173.70000119.7
981M31.2Very low33.2Very low175 Ų175133.7 Ų133.786%0.86277%0.769SS**  trans72140.7139.2-65.2-68.9168.100123
982D30Very low33.6Very low145 Ų145131.5 Ų131.578%0.77577%0.766SS**  trans-69.6173.5170.1-73.1-65.6000114.7
983P45.8Very low33.9Very low106 Ų106130.7 Ų130.769%0.68877%0.767SS**  cis-141.2-170.7-2631.2-8.3000115.2
984I35.6Very low34.2Very low148 Ų148131 Ų13176%0.75976%0.764SS**  trans90.695.7156.5-53.5-175000119.8
985S33.8Very low34.4Very low117 Ų117134.5 Ų134.582%0.81877%0.768SS**  trans49.3122141.972.60000123
986G33.3Very low34.6Very low78 Ų78133.7 Ų133.780%0.80476%0.762SS**  trans-174.453.7168.100000116
987E32.4Very low35Very low188 Ų188129 Ų12988%0.87976%0.756SS**  trans60.3128.1167.2-73.3-166.2132.400122.4
988V33.4Very low35.1Very low145 Ų145127.9 Ų127.988%0.87975%0.752SS**  trans67.2115.6151.2-177.30000121
989G34.7Very low35.3Very low65 Ų65131.4 Ų131.467%0.6776%0.76SS**  trans148.880.1138.400000123.5
990V37.2Very low35.3Very low131 Ų131129 Ų12979%0.79475%0.753SS**  trans68.9111.7134.1-177.50000122.8
991I36.8Very low35.5Very low147 Ų147130.7 Ų130.775%0.75476%0.758SS**  trans66.4123.9145.9-64.6172.1000119
992C38.1Very low35.6Very low99 Ų99128.7 Ų128.767%0.66975%0.751SS**  cis85147.734.5-60.60000115.2
993N40.8Very low35.7Very low143 Ų143128.9 Ų128.977%0.76575%0.747SS**  cis-165.7178.8-12.8-100.5-9.4000108.9
994H35.3Very low35.2Very low143 Ų143130.2 Ų130.266%0.66275%0.749SS**  cis156141.4-38.5-178.969.4000110.6
995K37.7Very low35.2Very low161 Ų161127.5 Ų127.570%0.774%0.743SS**  trans70.1168.6164.9-86.6-175.9178.5-171.70119.4
996I36.1Very low35.3Very low131 Ų131131.3 Ų131.367%0.67275%0.745SS**  cis-164160.5-34.2-126.4176.4000110.1
997G35.5Very low35.2Very low61 Ų61134.6 Ų134.663%0.62974%0.739SS**  trans74.2172.1139.400000121.8
998D35.1Very low35.4Very low146 Ų146133.9 Ų133.978%0.78173%0.733SS**  cis-161.7176.1-17.4-69.9-48.3000105.3
999D35Very low35.4Very low150 Ų150131 Ų13180%0.80273%0.725SS**  cis-154.2-157.75.7-153-23.2000110.2
1000C31.5Very low35.3Very low101 Ų101136.3 Ų136.368%0.68273%0.732SS**  trans-125.4-174.2-162-500000118.4
1001D36Very low35Very low164 Ų164135 Ų13588%0.87772%0.724SS**  trans88.1171.2154.1-60.6-22.4000122.8
1002N32.9Very low34.7Very low133 Ų133133.3 Ų133.371%0.71172%0.721SS**  trans-154.9171.8-135.7-174.233.1000114.5
1003E33.7Very low34.3Very low149 Ų149135.9 Ų135.970%0.69673%0.725SS**  trans88.4140.3164.6-61.5-55.4157.700123.7
1004D35.1Very low33.7Very low135 Ų135134.4 Ų134.472%0.72272%0.721SS**  trans85.9114.6143.5-107.4-37.5000127.4
1005S34.6Very low33.5Very low91 Ų91132.9 Ų132.964%0.63672%0.722SS**  trans64.3110.5136.4-75.30000126.5
1006K35Very low33.4Very low197 Ų197132 Ų13286%0.85773%0.73SS**  trans21.3140.5130.5-55.6166.2-173.3163.90118.8
1007E33.1Very low33.2Very low146 Ų146129.1 Ų129.168%0.68273%0.733SS**  cis-168.8158.244.3-151.4-170.9161.600114.2
1008K34.8Very low33.1Very low173 Ų173132.3 Ų132.375%0.75275%0.745SS**  trans49.7107.2155.3-83.6167.1-173.2148.10123.1
1009A33.9Very low33Very low85 Ų85128.8 Ų128.870%0.70274%0.744SS**  82.4122.5110.400000124.1
1010H32.8Very low33.1Very low177 Ų177126.5 Ų126.582%0.81974%0.74SS**  trans83.993.7135-84.6-59.8000124
1011T31.3Very low33.3Very low103 Ų103130.2 Ų130.263%0.63275%0.747SS**  81.5145.6124.4-110000122.4
1012T30.6Very low33.3Very low112 Ų112127 Ų12769%0.68774%0.737SS**  trans71141147.639.20000120.7
1013M29.2Very low33.4Very low153 Ų153125.8 Ų125.875%0.75474%0.739SS**  cis-174.3163.6-22.2-124-172.4-171.300112.2
1014T28.4Very low33.4Very low112 Ų112126.5 Ų126.569%0.68774%0.742SS**  trans61.8176.9147.359.30000118
1015T31.7Very low33.3Very low111 Ų111128.2 Ų128.268%0.68175%0.746SS**  cis-157157.318-29.60000115.4
1016T34.9Very low33.2Very low142 Ų142126.8 Ų126.887%0.87175%0.745SS**  trans98.5139.7157.369.60000117
1017G33.1Very low33.2Very low71 Ų71123 Ų12373%0.73274%0.744SS**  cis165.6166.2-5.700000109.8
1018S32.9Very low33.2Very low127 Ų127123.7 Ų123.789%0.88875%0.747SS**  cis180147.2-10.848.10000111.5
1019G33Very low33.1Very low73 Ų73122.3 Ų122.375%0.75374%0.743SS**  trans98.9158.1161.900000118.1
1020S36.4Very low33Very low102 Ų102124.9 Ų124.971%0.71375%0.745SS**  cis-168134.6-0-83.40000114.9
1021H36.3Very low32.9Very low179 Ų179125 Ų12583%0.82975%0.746SS**  trans52156.3135.1-58.1-55.5000123.6
1022S36.2Very low32.7Very low97 Ų97127 Ų12768%0.67875%0.748SS**  cis-175.8178.9-1554.70000113.5
1023S35.6Very low32.7Very low107 Ų107128.9 Ų128.975%0.74875%0.747SS**  trans84.3152.8163.1780000120.3
1024H33.1Very low32.6Very low163 Ų163130.5 Ų130.576%0.75575%0.753SS**  cis-148.8-176.9-4-130.2-66.7000113
1025E32.6Very low32.8Very low172 Ų172136 Ų13680%0.80476%0.762SS**  trans-73.2177.7-165.7-68.4154.7147.800118.9
1026G32.9Very low33.1Very low60 Ų60136.6 Ų136.662%0.61977%0.768SS**  cis166.2-164.1-3.800000115.4
1027S35.6Very low32.8Very low119 Ų119136.6 Ų136.683%0.83276%0.76SS**  trans65.7147.9172.550.70000119.8
1028E32.6Very low33.1Very low160 Ų160142.4 Ų142.475%0.74876%0.761SS**  cis-163.5150.1-6.7-112.9-170.7140.300114.9
1029Q32.8Very low33.1Very low143 Ų143142.1 Ų142.167%0.66875%0.749SS**  trans61.7131.6142-71.2-167.85200128.3
1030N32.1Very low33.1Very low139 Ų139142.7 Ų142.774%0.74374%0.742SS**  trans90.4170.8137.4-58.7-10.5000124.4
1031E28.9Very low32.7Very low181 Ų181145.7 Ų145.785%0.84675%0.75SS**  trans-121.1172.3-140.6-53-179.7107.400118.8
1032E27.3Very low32.4Very low145 Ų145142.6 Ų142.668%0.67874%0.74SS**  trans85.3131151.6-86.7-153.6121.400124.9
1033K30.4Very low32.1Very low151 Ų151145 Ų14566%0.65775%0.745SS**  trans87.3128142.3-75.6166.5175.9132.50124.3
1034Q28.9Very low31.9Very low187 Ų187143.9 Ų143.987%0.87474%0.737SS**  trans84.9145.9147.3-75.6172.6-104.500122.7
1035Y30.6Very low32.1Very low226 Ų226143.7 Ų143.789%0.88674%0.742SS**  trans-103155.2-174.9-87.5-79.9000111.4
1036P38Very low32.1Very low124 Ų124141.1 Ų141.181%0.80573%0.733SS**  -146179.686.438-19.1000117
1037M30.6Very low32.2Very low142 Ų142145.2 Ų145.270%0.774%0.741SS**  trans-50.7161.9171.7-64.5-61.5-159.600114.1
1038Y37.3Very low32.2Very low194 Ų194146.7 Ų146.776%0.76174%0.738SS**  cis-162.6170.614.7-118.8-30.1000108
1039D34.4Very low32.3Very low120 Ų120148.4 Ų148.464%0.64274%0.743SS**  cis-161.7173.4-6.6-170.337.5000111.2
1040S31.6Very low32.1Very low86 Ų86150.7 Ų150.760%0.60175%0.754SS**  trans73.7143.3150.3-880000121.8
1041N28Very low32Very low164 Ų164148.7 Ų148.788%0.87775%0.751SS**  trans54.584.2172.3-68.9-14.6000117
1042N30.8Very low32.3Very low114 Ų114146 Ų14661%0.6174%0.742SS**  trans-144.8126.4169.7-132.1-19.7000112.6N1046N1042-N1046 PolarHBondContact ND2-OD1 2.93Å
1043N30.5Very low32.6Very low147 Ų147146.3 Ų146.379%0.78675%0.748SS**  trans-113100163.1-179.79000108.3
1044S30.8Very low32.8Very low84 Ų84146.8 Ų146.859%0.58776%0.755SS**SBendtrans64.3113.9166-52.20000117.6
1045N38.4Very low32.9Very low159 Ų159145.6 Ų145.685%0.8575%0.752SS**  trans83117.8163.7-50.2-28.8000117.8
1046N32.4Very low33.4Very low118 Ų118139.5 Ų139.563%0.63174%0.74SS**  trans-110.8131.3179.5-97.7-4.8000112.2N1042N1042-N1046 PolarHBondContact ND2-OD1 2.93Å
1047N33.6Very low33.3Very low147 Ų147139.8 Ų139.879%0.78674%0.735SS**  151.4127.9123.4-82-26.4000112.9
1048I36Very low33.4Very low149 Ų149139.3 Ų139.376%0.76474%0.735SS**  177.3116.5118.5-93.2163.9000112.2
1049K35Very low33.3Very low197 Ų197136.9 Ų136.986%0.85773%0.734SS**  trans67.9151.1152.4-65.6174.5-173.4177.80121.8
1050Q28.6Very low33.3Very low191 Ų191134 Ų13489%0.89373%0.732SS**  trans-126.6161.2-178.5-50.4155.5-8000109.1
1051S30.1Very low33.4Very low96 Ų96137.5 Ų137.567%0.67174%0.739SS**  -178.9166118.664.90000113.1
1052D35.4Very low33.6Very low125 Ų125134.9 Ų134.967%0.66873%0.725SS**  trans67.396.5157.4-49.8-44.6000119.3
1053L33.1Very low33.7Very low152 Ų152136.7 Ų136.780%0.79674%0.735SS**  91.7161.496.7-79165.7000112.8
1054I35.4Very low33.8Very low160 Ų160133.4 Ų133.482%0.82174%0.736SS**  cis-128.5175.87.1-37157.9000110.3
1055M30.1Very low33.8Very low163 Ų163133.9 Ų133.980%0.80375%0.745SS**  trans-102.8-177.8174.8-99.1-67.2173.500110.7
1056P42Very low33.5Very low97 Ų97134.3 Ų134.363%0.6375%0.745SS**  cis-159.5-177.441.645.1-21.4000122.1
1057N34.5Very low33.4Very low131 Ų131132.8 Ų132.870%0.70175%0.749SS**  trans79.5138.3160.1-55.9-31.6000118.3
1058N33.8Very low33.2Very low131 Ų131131 Ų13170%0.70175%0.747SS**  cis-177.7167-13.1-95.9-17.9000106.5
1059I34.9Very low33Very low143 Ų143128.9 Ų128.973%0.73374%0.744SS**  cis-165.9162.6-14.3-104.7168.2000104.7
1060G34.9Very low32.8Very low59 Ų59126 Ų12661%0.60874%0.743SS**  cis-127.4-149.55.900000112.6
1061Q32.3Very low33Very low161 Ų161122.7 Ų122.775%0.75274%0.739SS**  cis85.3128.420.9-53.9-154.2-9600116
1062D32.6Very low33.1Very low109 Ų109125.2 Ų125.258%0.58375%0.745SS**  cis-162.2149.46.4-122.927.5000114.3
1063N32.7Very low33.1Very low151 Ų151124.7 Ų124.781%0.80775%0.751SS**  trans58149.5155.5-51.4-44.8000120.6
1064G32.7Very low33.1Very low78 Ų78124.1 Ų124.180%0.80475%0.749SS**  cis-166.9176-100000111.2
1065A32.2Very low33.2Very low95 Ų95124 Ų12479%0.78574%0.744SS**  trans-111.9168.7-165.400000115.6
1066I30.6Very low33.8Very low167 Ų167123.5 Ų123.586%0.85674%0.74SS**  trans166.2141.2131.8-86157.2000114.2
1067A31.4Very low33.8Very low86 Ų86124.1 Ų124.171%0.71174%0.737SS**  trans62.8113.3155.300000124.6
1068C29.2Very low34.4Very low109 Ų109122.9 Ų122.974%0.73673%0.73SS**  72.1106113.7-163.30000122.9
1069C31.1Very low35.1Very low106 Ų106119 Ų11972%0.71672%0.716SS**  100.7147112.1-57.20000122.8
1070V32.3Very low36.1Very low137 Ų137118.2 Ų118.283%0.8371%0.709SS**  trans80144.9159.8170.70000118.2
1071C32.2Very low37.3Very low120 Ų120120.4 Ų120.481%0.81171%0.707SS**  trans64.275.7175-71.20000118.1
1072N32.7Very low38.9Very low149 Ų149119.5 Ų119.580%0.79770%0.703SS**  trans-142.859154.2-157.710.7000112.4
1073S34.6Very low41Very low114 Ų114119.7 Ų119.780%0.79770%0.703SS**SBendtrans-14727.2-178.4-48.90000112.9
1074L33.3Very low42.9Very low141 Ų141117.8 Ų117.874%0.73869%0.692SS**SBendtrans-135.35.8-174.5-119154.6000113.5
1075H38.1Very low45Very low156 Ų156119.2 Ų119.272%0.72268%0.677SS**SBendtrans-111.77.8-179.1-111.6-55.7000114.4
1076Q41Very low46.9Very low154 Ų154119.7 Ų119.772%0.7267%0.665SS**SBendtrans-107.1-3.6-176.9-162162.66.500113.4
1077I43.1Very low49.4Very low109 Ų109115.7 Ų115.756%0.55965%0.648SS**SBendtrans-89.9-48.9-179-60.8175.5000110.3A1079 E1080 D1081I1077-A1079 PolarHBondContact O-N 3.47Å; I1077-E1080 PolarHBondContact O-N 2.68Å; I1077-E1080 VanDerWaalsContact O-N 3.09Å; I1077-D1081 PolarHBondContact O-N 3.25Å
1078D46.6Very low51.8Low105 Ų105116 Ų11656%0.56164%0.635SS**Hα-helixtrans-59.9-31.5-177.7-53.8-27.7000113.4E1082D1078-E1082 PolarHBondContact O-N 3.14Å; D1078-E1082 VanDerWaalsContact O-N 3.13Å
1079A48.2Very low54.3Low49 Ų49114.6 Ų114.641%0.40562%0.62SS.*Hα-helixtrans-70.6-30.817900000113.2I1077 I1083I1077-A1079 PolarHBondContact O-N 3.47Å; A1079-I1083 WeakPolarHBondContact O-CB 3.43Å; A1079-I1083 WeakPolarHBondContact O-CD1 3.47Å; A1079-I1083 VanDerWaalsContact O-CG1 3.24Å; A1079-I1083 WeakPolarHBondContact O-CG1 3.29Å; A1079-I1083 PolarHBondContact O-N 2.82Å
1080E56.9Low56.7Low127 Ų127113.7 Ų113.759%0.59361%0.607SS**Hα-helixtrans-76.1-37.4178-66.4-166.9165.200111.3I1077 I1083 L1084I1077-E1080 PolarHBondContact O-N 2.68Å; I1077-E1080 VanDerWaalsContact O-N 3.09Å; E1080-I1083 PolarHBondContact O-N 3.3Å; E1080-L1084 WeakPolarHBondContact O-CB 3.47Å; E1080-L1084 WeakPolarHBondContact O-CG 2.98Å; E1080-L1084 PolarHBondContact O-N 3.07Å
1081D59.8Low59.1Low106 Ų106110.7 Ų110.757%0.56759%0.592SS**Hα-helixtrans-68-36.7174.4-90.5-16.3000112.5I1077 L1084 H1085I1077-D1081 PolarHBondContact O-N 3.25Å; D1081-L1084 PolarHBondContact O-N 3.09Å; D1081-H1085 WeakPolarHBondContact O-CB 3.4Å; D1081-H1085 PolarHBondContact O-N 3.5Å
1082E66.1Low61.5Low142 Ų142109.8 Ų109.866%0.66458%0.575SS**Hα-helixtrans-65.8-40.9172.8-171.3173.2-148.700111.8D1078 H1085 M1086D1078-E1082 PolarHBondContact O-N 3.14Å; D1078-E1082 VanDerWaalsContact O-N 3.13Å; E1082-H1085 PolarHBondContact O-N 3.41Å; E1082-M1086 WeakPolarHBondContact O-CB 3.3Å; E1082-M1086 PolarHBondContact O-N 3.18Å
1083I76.1Confident63.9Low112 Ų112110.5 Ų110.557%0.57457%0.566SS**Hα-helixtrans-65.7-39.4175-71.5168.9000111.4A1079 E1080 T1087A1079-I1083 WeakPolarHBondContact O-CB 3.43Å; A1079-I1083 WeakPolarHBondContact O-CD1 3.47Å; A1079-I1083 VanDerWaalsContact O-CG1 3.24Å; A1079-I1083 WeakPolarHBondContact O-CG1 3.29Å; A1079-I1083 PolarHBondContact O-N 2.82Å; E1080-I1083 PolarHBondContact O-N 3.3Å; I1083-T1087 VanDerWaalsContact O-CB 3.26Å; I1083-T1087 WeakPolarHBondContact O-CB 3.4Å; I1083-T1087 PolarHBondContact O-N 3.13Å; I1083-T1087 PolarHBondContact O-OG1 2.82Å
1084L73.3Confident66.2Low111 Ų111113.9 Ų113.958%0.58156%0.561SS**Hα-helixtrans-62.9-46.5173.3-86.3163.2000111.4E1080 D1081 T1087 E1088E1080-L1084 WeakPolarHBondContact O-CB 3.47Å; E1080-L1084 WeakPolarHBondContact O-CG 2.98Å; E1080-L1084 PolarHBondContact O-N 3.07Å; D1081-L1084 PolarHBondContact O-N 3.09Å; L1084-T1087 PolarHBondContact O-N 3.43Å; L1084-E1088 WeakPolarHBondContact O-CB 3.47Å; L1084-E1088 PolarHBondContact O-N 2.92Å
1085H75.6Confident68.5Low108 Ų108111.8 Ų111.850%0.555%0.548SS..Hα-helixtrans-63.5-44.8178.2-171.354.1000112D1081 E1082 T1087 E1088 L1089D1081-H1085 WeakPolarHBondContact O-CB 3.4Å; D1081-H1085 PolarHBondContact O-N 3.5Å; E1082-H1085 PolarHBondContact O-N 3.41Å; H1085-T1087 VanDerWaalsContact C-N 3.32Å; H1085-T1087 PolarHBondContact O-N 2.99Å; H1085-E1088 PolarHBondContact O-N 2.88Å; H1085-L1089 WeakPolarHBondContact O-CB 3.37Å; H1085-L1089 WeakPolarHBondContact O-CG 3.32Å; H1085-L1089 PolarHBondContact O-N 2.85Å
1086M73Confident70.5Confident105 Ų105107.5 Ų107.552%0.51754%0.535SS..Hα-helixtrans-61.2-39.1173.4-83.9-72.1-76.400112.5E1082 L1089 L1090E1082-M1086 WeakPolarHBondContact O-CB 3.3Å; E1082-M1086 PolarHBondContact O-N 3.18Å; M1086-L1089 PolarHBondContact O-N 3.38Å; M1086-L1090 WeakPolarHBondContact O-CB 3.39Å; M1086-L1090 VanDerWaalsContact O-CG 3.27Å; M1086-L1090 WeakPolarHBondContact O-CG 3.45Å; M1086-L1090 PolarHBondContact O-N 3.37Å
1087T82Confident72.5Confident83 Ų83103.1 Ų103.151%0.50952%0.515SS..Hα-helixtrans-67.3-40.6176.5-60.30000111.5I1083 L1084 H1085 L1090 S1091I1083-T1087 VanDerWaalsContact O-CB 3.26Å; I1083-T1087 WeakPolarHBondContact O-CB 3.4Å; I1083-T1087 PolarHBondContact O-N 3.13Å; I1083-T1087 PolarHBondContact O-OG1 2.82Å; L1084-T1087 PolarHBondContact O-N 3.43Å; H1085-T1087 VanDerWaalsContact C-N 3.32Å; H1085-T1087 PolarHBondContact O-N 2.99Å; T1087-L1090 PolarHBondContact O-N 3.24Å; T1087-S1091 WeakPolarHBondContact O-CB 3.23Å; T1087-S1091 PolarHBondContact O-N 3.05Å
1088E83Confident74.4Confident92 Ų92100.7 Ų100.743%0.4351%0.511SS..Hα-helixtrans-66.7-41.1175.7-156.2-152.4-17400111.7L1084 H1085 S1091 K1092L1084-E1088 WeakPolarHBondContact O-CB 3.47Å; L1084-E1088 PolarHBondContact O-N 2.92Å; H1085-E1088 PolarHBondContact O-N 2.88Å; E1088-S1091 WeakPolarHBondContact O-CB 3.4Å; E1088-S1091 PolarHBondContact O-N 3.04Å; E1088-K1092 HydrophobicContact CG-CD 4.41Å; E1088-K1092 WeakPolarHBondContact O-CB 3.47Å; E1088-K1092 WeakPolarHBondContact O-CG 3.13Å; E1088-K1092 PolarHBondContact O-N 2.95Å; E1088-K1092 WeakPolarHBondContact OE1-CE 3.17Å; E1088-K1092 IonicContact OE1-NZ 2.82Å; E1088-K1092 PolarHBondContact OE1-NZ 2.81Å; E1088-K1092 IonicContact OE2-NZ 2.74Å; E1088-K1092 PolarHBondContact OE2-NZ 3.27Å
1089L81.4Confident76.2Confident81 Ų81103.3 Ų103.342%0.42451%0.513SS..Hα-helixtrans-62.6-42.2173.4-74.8174.1000112.1H1085 M1086 S1091 R1093H1085-L1089 WeakPolarHBondContact O-CB 3.37Å; H1085-L1089 WeakPolarHBondContact O-CG 3.32Å; H1085-L1089 PolarHBondContact O-N 2.85Å; M1086-L1089 PolarHBondContact O-N 3.38Å; L1089-S1091 VanDerWaalsContact C-N 3.33Å; L1089-R1093 WeakPolarHBondContact O-CB 3.28Å; L1089-R1093 PolarHBondContact O-N 3.25Å
1090L81.1Confident77.8Confident86 Ų86108.1 Ų108.145%0.4552%0.521SS..Hα-helixtrans-65.5-36174-74.1170.8000111.9M1086 T1087 R1093 R1094M1086-L1090 WeakPolarHBondContact O-CB 3.39Å; M1086-L1090 VanDerWaalsContact O-CG 3.27Å; M1086-L1090 WeakPolarHBondContact O-CG 3.45Å; M1086-L1090 PolarHBondContact O-N 3.37Å; T1087-L1090 PolarHBondContact O-N 3.24Å; L1090-R1093 PolarHBondContact O-N 2.69Å; L1090-R1094 VanDerWaalsContact O-CG 3.32Å; L1090-R1094 WeakPolarHBondContact O-CG 3.38Å; L1090-R1094 PolarHBondContact O-N 2.67Å
1091S82.3Confident79Confident74 Ų74108.2 Ų108.252%0.51752%0.521SS..Hα-helixtrans-66.6-50.7174.9-161.70000111.5T1087 E1088 L1089 R1093 R1094 E1095T1087-S1091 WeakPolarHBondContact O-CB 3.23Å; T1087-S1091 PolarHBondContact O-N 3.05Å; E1088-S1091 WeakPolarHBondContact O-CB 3.4Å; E1088-S1091 PolarHBondContact O-N 3.04Å; L1089-S1091 VanDerWaalsContact C-N 3.33Å; S1091-R1093 VanDerWaalsContact C-N 3.25Å; S1091-R1093 PolarHBondContact O-N 2.79Å; S1091-R1094 PolarHBondContact O-N 3.09Å; S1091-R1094 VanDerWaalsContact O-N 3.09Å; S1091-E1095 PolarHBondContact O-N 3.25Å
1092K83.4Confident80.1Confident101 Ų101108 Ų10844%0.43952%0.52SS..Hα-helixtrans-57.3-37.1173.6-72.9168179.9168.40112E1088 E1095 S1096E1088-K1092 HydrophobicContact CG-CD 4.41Å; E1088-K1092 WeakPolarHBondContact O-CB 3.47Å; E1088-K1092 WeakPolarHBondContact O-CG 3.13Å; E1088-K1092 PolarHBondContact O-N 2.95Å; E1088-K1092 WeakPolarHBondContact OE1-CE 3.17Å; E1088-K1092 IonicContact OE1-NZ 2.82Å; E1088-K1092 PolarHBondContact OE1-NZ 2.81Å; E1088-K1092 IonicContact OE2-NZ 2.74Å; E1088-K1092 PolarHBondContact OE2-NZ 3.27Å; K1092-E1095 PolarHBondContact O-N 2.97Å; K1092-S1096 PolarHBondContact O-N 3.37Å
1093R84Confident80.8Confident165 Ų165106.7 Ų106.762%0.62352%0.516SS*.Hα-helixtrans-64.9-49173.5-170.7175.7-175126.25.5111.7L1089 L1090 S1091 E1095 S1096 E1097L1089-R1093 WeakPolarHBondContact O-CB 3.28Å; L1089-R1093 PolarHBondContact O-N 3.25Å; L1090-R1093 PolarHBondContact O-N 2.69Å; S1091-R1093 VanDerWaalsContact C-N 3.25Å; S1091-R1093 PolarHBondContact O-N 2.79Å; R1093-E1095 VanDerWaalsContact C-N 3.29Å; R1093-E1095 PolarHBondContact O-N 3.49Å; R1093-S1096 PolarHBondContact O-N 3.44Å; R1093-S1096 VanDerWaalsContact O-N 3.14Å; R1093-S1096 PolarHBondContact O-OG 2.97Å; R1093-E1097 PolarHBondContact O-N 3.21Å
1094R81.3Confident80.9Confident184 Ų184105.4 Ų105.469%0.69451%0.51SS*.Hα-helixtrans-58-41175.6-71173.8-161.9-177.87.5111.7L1090 S1091 E1097 A1098L1090-R1094 VanDerWaalsContact O-CG 3.32Å; L1090-R1094 WeakPolarHBondContact O-CG 3.38Å; L1090-R1094 PolarHBondContact O-N 2.67Å; S1091-R1094 PolarHBondContact O-N 3.09Å; S1091-R1094 VanDerWaalsContact O-N 3.09Å; R1094-E1097 PolarHBondContact O-N 3.1Å; R1094-A1098 VanDerWaalsContact O-CB 3.3Å; R1094-A1098 WeakPolarHBondContact O-CB 3.22Å; R1094-A1098 PolarHBondContact O-N 2.64Å
1095E83Confident81.1Confident98 Ų98102.4 Ų102.446%0.45850%0.501SS..Hα-helixtrans-63-43175.4-159.4-158.6149.600111.7S1091 K1092 R1093 A1098 R1099S1091-E1095 PolarHBondContact O-N 3.25Å; K1092-E1095 PolarHBondContact O-N 2.97Å; R1093-E1095 VanDerWaalsContact C-N 3.29Å; R1093-E1095 PolarHBondContact O-N 3.49Å; E1095-A1098 PolarHBondContact O-N 3.22Å; E1095-R1099 WeakPolarHBondContact O-CB 3.46Å; E1095-R1099 VanDerWaalsContact O-CG 3.31Å; E1095-R1099 WeakPolarHBondContact O-CG 3.49Å; E1095-R1099 PolarHBondContact O-N 2.82Å; E1095-R1099 IonicContact OE1-CZ 3.49Å; E1095-R1099 IonicContact OE1-NE 3.04Å; E1095-R1099 PolarHBondContact OE1-NE 3.41Å; E1095-R1099 IonicContact OE1-NH2 3.85Å; E1095-R1099 PolarHBondContact OE1-NH2 3.11Å
1096S79.5Confident81.3Confident65 Ų65102.6 Ų102.646%0.45550%0.502SS..Hα-helixtrans-65.5-37.4175.974.60000113K1092 R1093 R1100K1092-S1096 PolarHBondContact O-N 3.37Å; R1093-S1096 PolarHBondContact O-N 3.44Å; R1093-S1096 VanDerWaalsContact O-N 3.14Å; R1093-S1096 PolarHBondContact O-OG 2.97Å; S1096-R1100 VanDerWaalsContact O-CB 3.32Å; S1096-R1100 WeakPolarHBondContact O-CB 3.26Å; S1096-R1100 PolarHBondContact O-N 3.08Å
1097E82.7Confident81.4Confident63 Ų63102.7 Ų102.729%0.29450%0.503SS..Hα-helixtrans-70.9-38.1177.1-150.381.3-113.200110.7R1093 R1094 R1100 Q1101R1093-E1097 PolarHBondContact O-N 3.21Å; R1094-E1097 PolarHBondContact O-N 3.1Å; E1097-R1100 WeakPolarHBondContact O-CB 3.37Å; E1097-R1100 PolarHBondContact O-N 2.68Å; E1097-R1100 IonicContact OE1-NH1 3.85Å; E1097-R1100 PolarHBondContact OE1-NH1 2.81Å; E1097-Q1101 WeakPolarHBondContact O-CG 3.26Å; E1097-Q1101 PolarHBondContact O-N 3.5Å
1098A83Confident81Confident57 Ų57104.5 Ų104.547%0.47151%0.506SS..Hα-helixtrans-66.3-45.1174.100000112.1R1094 E1095 R1100 Q1101 L1102R1094-A1098 VanDerWaalsContact O-CB 3.3Å; R1094-A1098 WeakPolarHBondContact O-CB 3.22Å; R1094-A1098 PolarHBondContact O-N 2.64Å; E1095-A1098 PolarHBondContact O-N 3.22Å; A1098-R1100 VanDerWaalsContact C-N 3.27Å; A1098-R1100 PolarHBondContact O-N 2.83Å; A1098-Q1101 PolarHBondContact O-N 3Å; A1098-L1102 WeakPolarHBondContact O-CB 3.49Å; A1098-L1102 PolarHBondContact O-N 3.07Å
1099R83.7Confident80.6Confident160 Ų160104.2 Ų104.260%0.60451%0.51SS*.Hα-helixtrans-60-37.1172.6-73171.8-180-113.78111.9E1095 L1103E1095-R1099 WeakPolarHBondContact O-CB 3.46Å; E1095-R1099 VanDerWaalsContact O-CG 3.31Å; E1095-R1099 WeakPolarHBondContact O-CG 3.49Å; E1095-R1099 PolarHBondContact O-N 2.82Å; E1095-R1099 IonicContact OE1-CZ 3.49Å; E1095-R1099 IonicContact OE1-NE 3.04Å; E1095-R1099 PolarHBondContact OE1-NE 3.41Å; E1095-R1099 IonicContact OE1-NH2 3.85Å; E1095-R1099 PolarHBondContact OE1-NH2 3.11Å; R1099-L1103 PolarHBondContact O-N 2.84Å
1100R82.8Confident80.2Confident151 Ų151101.7 Ų101.757%0.5750%0.503SS*.Hα-helixtrans-68.5-41.4174.7-178.5-175.3177.9-159.52.7112.3S1096 E1097 A1098 L1103 L1104S1096-R1100 VanDerWaalsContact O-CB 3.32Å; S1096-R1100 WeakPolarHBondContact O-CB 3.26Å; S1096-R1100 PolarHBondContact O-N 3.08Å; E1097-R1100 WeakPolarHBondContact O-CB 3.37Å; E1097-R1100 PolarHBondContact O-N 2.68Å; E1097-R1100 IonicContact OE1-NH1 3.85Å; E1097-R1100 PolarHBondContact OE1-NH1 2.81Å; A1098-R1100 VanDerWaalsContact C-N 3.27Å; A1098-R1100 PolarHBondContact O-N 2.83Å; R1100-L1103 PolarHBondContact O-N 2.83Å; R1100-L1104 HydrophobicContact CG-CD1 4.27Å; R1100-L1104 WeakPolarHBondContact O-CG 3.33Å; R1100-L1104 PolarHBondContact O-N 2.79Å
1101Q82.3Confident79.8Confident128 Ų128102 Ų10260%0.59850%0.504SS*.Hα-helixtrans-66.5-38.3175.4-74.1177.819.400111.8E1097 A1098 L1104 A1105E1097-Q1101 WeakPolarHBondContact O-CG 3.26Å; E1097-Q1101 PolarHBondContact O-N 3.5Å; A1098-Q1101 PolarHBondContact O-N 3Å; Q1101-L1104 PolarHBondContact O-N 2.77Å; Q1101-A1105 WeakPolarHBondContact O-CB 3.44Å; Q1101-A1105 PolarHBondContact O-N 3.44Å
1102L83.3Confident79.2Confident103 Ų103103.3 Ų103.354%0.53950%0.502SS..Hα-helixtrans-60.7-50.2173-172.968.4000111.2A1098 L1104 A1105 E1106A1098-L1102 WeakPolarHBondContact O-CB 3.49Å; A1098-L1102 PolarHBondContact O-N 3.07Å; L1102-L1104 VanDerWaalsContact C-N 3.3Å; L1102-L1104 PolarHBondContact O-N 2.87Å; L1102-A1105 PolarHBondContact O-N 3.4Å; L1102-A1105 VanDerWaalsContact O-N 3.12Å; L1102-E1106 WeakPolarHBondContact O-CB 3.44Å; L1102-E1106 WeakPolarHBondContact O-CG 3.48Å; L1102-E1106 PolarHBondContact O-N 2.81Å
1103L79.4Confident78.9Confident113 Ų113106 Ų10659%0.59251%0.51SS*.Hα-helixtrans-59.7-36.4175.9-88.5165.6000113.3R1099 R1100 M1107R1099-L1103 PolarHBondContact O-N 2.84Å; R1100-L1103 PolarHBondContact O-N 2.83Å; L1103-M1107 VanDerWaalsContact O-CB 3.26Å; L1103-M1107 WeakPolarHBondContact O-CB 3.25Å; L1103-M1107 PolarHBondContact O-N 2.93Å
1104L79.5Confident78.4Confident85 Ų85103 Ų10345%0.44551%0.506SS..Hα-helixtrans-70.2-37.4175.3-73.8170.4000112R1100 Q1101 L1102 M1107 E1108R1100-L1104 HydrophobicContact CG-CD1 4.27Å; R1100-L1104 WeakPolarHBondContact O-CG 3.33Å; R1100-L1104 PolarHBondContact O-N 2.79Å; Q1101-L1104 PolarHBondContact O-N 2.77Å; L1102-L1104 VanDerWaalsContact C-N 3.3Å; L1102-L1104 PolarHBondContact O-N 2.87Å; L1104-M1107 HydrophobicContact CD2-CE 3.9Å; L1104-M1107 PolarHBondContact O-N 3.33Å; L1104-E1108 WeakPolarHBondContact O-CB 3.44Å; L1104-E1108 PolarHBondContact O-N 2.81Å
1105A76.7Confident78Confident48 Ų4897.8 Ų97.840%0.39749%0.492SS..Hα-helixtrans-69.2-42.6174.800000112Q1101 L1102 M1107 E1108 V1109Q1101-A1105 WeakPolarHBondContact O-CB 3.44Å; Q1101-A1105 PolarHBondContact O-N 3.44Å; L1102-A1105 PolarHBondContact O-N 3.4Å; L1102-A1105 VanDerWaalsContact O-N 3.12Å; A1105-M1107 VanDerWaalsContact C-N 3.26Å; A1105-M1107 PolarHBondContact O-N 3.11Å; A1105-E1108 PolarHBondContact O-N 3.39Å; A1105-V1109 WeakPolarHBondContact O-CB 3.49Å; A1105-V1109 VanDerWaalsContact O-CG2 3.29Å; A1105-V1109 WeakPolarHBondContact O-CG2 3.36Å; A1105-V1109 PolarHBondContact O-N 2.73Å
1106E79.4Confident77.3Confident112 Ų112101.1 Ų101.152%0.52350%0.5SS..Hα-helixtrans-59.3-38.3172.3-72.4173.816400111.3L1102 G1110L1102-E1106 WeakPolarHBondContact O-CB 3.44Å; L1102-E1106 WeakPolarHBondContact O-CG 3.48Å; L1102-E1106 PolarHBondContact O-N 2.81Å; E1106-G1110 PolarHBondContact O-N 2.71Å
1107M74.9Confident77Confident108 Ų108102.2 Ų102.253%0.53250%0.501SS..Hα-helixtrans-72.5-42.3175.6-171-17475.800113.2L1103 L1104 A1105 V1109 G1110 I1111L1103-M1107 VanDerWaalsContact O-CB 3.26Å; L1103-M1107 WeakPolarHBondContact O-CB 3.25Å; L1103-M1107 PolarHBondContact O-N 2.93Å; L1104-M1107 HydrophobicContact CD2-CE 3.9Å; L1104-M1107 PolarHBondContact O-N 3.33Å; A1105-M1107 VanDerWaalsContact C-N 3.26Å; A1105-M1107 PolarHBondContact O-N 3.11Å; M1107-V1109 VanDerWaalsContact C-N 3.34Å; M1107-G1110 PolarHBondContact O-N 2.95Å; M1107-I1111 HydrophobicContact CG-CD1 4.12Å; M1107-I1111 VanDerWaalsContact O-CG1 3.31Å; M1107-I1111 WeakPolarHBondContact O-CG1 3.43Å; M1107-I1111 PolarHBondContact O-N 2.7Å
1108E75.1Confident76.6Confident120 Ų120106.3 Ų106.356%0.56151%0.513SS*.Hα-helixtrans-65.9-37.8177.1-161.5168-166.500110.3K937 L1104 A1105 E1112K937-E1108 IonicContact NZ-OE1 3.69Å; K937-E1108 PolarHBondContact NZ-OE1 3.05Å; L1104-E1108 WeakPolarHBondContact O-CB 3.44Å; L1104-E1108 PolarHBondContact O-N 2.81Å; A1105-E1108 PolarHBondContact O-N 3.39Å; E1108-E1112 PolarHBondContact O-N 2.84Å
1109V73.9Confident75.9Confident87 Ų87106.3 Ų106.353%0.52751%0.514SS..Hα-helixtrans-67.2-38.3170.4170.40000112.2A1105 M1107 E1112 R1113A1105-V1109 WeakPolarHBondContact O-CB 3.49Å; A1105-V1109 VanDerWaalsContact O-CG2 3.29Å; A1105-V1109 WeakPolarHBondContact O-CG2 3.36Å; A1105-V1109 PolarHBondContact O-N 2.73Å; M1107-V1109 VanDerWaalsContact C-N 3.34Å; V1109-E1112 PolarHBondContact O-N 3.26Å; V1109-R1113 VanDerWaalsContact O-CB 3.32Å; V1109-R1113 WeakPolarHBondContact O-CB 3.37Å; V1109-R1113 PolarHBondContact O-N 3.29Å
1110G73.8Confident75Confident27 Ų27100.8 Ų100.828%0.27850%0.502SS..Hα-helixtrans-60.4-48.517400000112E1106 M1107 E1112 R1113 D1114E1106-G1110 PolarHBondContact O-N 2.71Å; M1107-G1110 PolarHBondContact O-N 2.95Å; G1110-E1112 PolarHBondContact O-N 3.17Å; G1110-R1113 WeakPolarHBondContact O-CB 3.4Å; G1110-R1113 PolarHBondContact O-N 2.91Å; G1110-R1113 VanDerWaalsContact O-N 3.15Å; G1110-D1114 PolarHBondContact O-N 2.91Å
1111I71.6Confident74.1Confident92 Ų9296 Ų9647%0.47250%0.495SS..Hα-helixtrans-62.5-43.7177.5-66.5163.1000111.1M1107 R1113 D1114 D1115M1107-I1111 HydrophobicContact CG-CD1 4.12Å; M1107-I1111 VanDerWaalsContact O-CG1 3.31Å; M1107-I1111 WeakPolarHBondContact O-CG1 3.43Å; M1107-I1111 PolarHBondContact O-N 2.7Å; I1111-R1113 VanDerWaalsContact C-N 3.29Å; I1111-R1113 PolarHBondContact O-N 3.23Å; I1111-D1114 PolarHBondContact O-N 3Å; I1111-D1115 WeakPolarHBondContact O-CB 3.32Å; I1111-D1115 PolarHBondContact O-N 2.63Å
1112E69.7Low73.2Confident102 Ų10294.5 Ų94.548%0.47749%0.491SS..Hα-helixtrans-63.2-36.6175.3-160.3-156.9128.500111.8E1108 V1109 G1110 R1116E1108-E1112 PolarHBondContact O-N 2.84Å; V1109-E1112 PolarHBondContact O-N 3.26Å; G1110-E1112 PolarHBondContact O-N 3.17Å; E1112-R1116 WeakPolarHBondContact O-CB 3.42Å; E1112-R1116 WeakPolarHBondContact O-CG 3.29Å; E1112-R1116 PolarHBondContact O-N 3.43Å; E1112-R1116 VanDerWaalsContact OE1-CD 3.22Å; E1112-R1116 WeakPolarHBondContact OE1-CD 3.46Å; E1112-R1116 IonicContact OE1-CZ 2.71Å; E1112-R1116 IonicContact OE1-NE 3.51Å; E1112-R1116 IonicContact OE1-NH1 3.87Å; E1112-R1116 PolarHBondContact OE1-NH1 3.3Å
1113R77.1Confident72.2Confident158 Ų15892.3 Ų92.360%0.59649%0.488SS*.Hα-helixtrans-66.3-43.1176.8-160.2-178.3-161.497.4-2.5111.4V1109 G1110 I1111 R1116 L1117V1109-R1113 VanDerWaalsContact O-CB 3.32Å; V1109-R1113 WeakPolarHBondContact O-CB 3.37Å; V1109-R1113 PolarHBondContact O-N 3.29Å; G1110-R1113 WeakPolarHBondContact O-CB 3.4Å; G1110-R1113 PolarHBondContact O-N 2.91Å; G1110-R1113 VanDerWaalsContact O-N 3.15Å; I1111-R1113 VanDerWaalsContact C-N 3.29Å; I1111-R1113 PolarHBondContact O-N 3.23Å; R1113-R1116 PolarHBondContact O-N 3.23Å; R1113-L1117 HydrophobicContact CG-CD1 4.37Å; R1113-L1117 WeakPolarHBondContact O-CB 3.47Å; R1113-L1117 VanDerWaalsContact O-CG 3.29Å; R1113-L1117 WeakPolarHBondContact O-CG 3.42Å; R1113-L1117 PolarHBondContact O-N 3.42Å
1114D74.3Confident70.8Confident101 Ų10193 Ų9354%0.5449%0.49SS..Hα-helixtrans-68.3-38.9176.5-72.6-14.7000112.1G1110 I1111 R1116 L1117 R1118G1110-D1114 PolarHBondContact O-N 2.91Å; I1111-D1114 PolarHBondContact O-N 3Å; D1114-R1116 VanDerWaalsContact C-N 3.33Å; D1114-R1116 PolarHBondContact O-N 2.88Å; D1114-L1117 PolarHBondContact O-N 2.8Å; D1114-R1118 WeakPolarHBondContact O-CB 3.43Å; D1114-R1118 PolarHBondContact O-N 2.72Å
1115D71.9Confident69.2Low76 Ų7692 Ų9241%0.40649%0.494SS..Hα-helixtrans-63.2-39.2172.4-93.8-33.4000111.9I1111 R1118 A1119I1111-D1115 WeakPolarHBondContact O-CB 3.32Å; I1111-D1115 PolarHBondContact O-N 2.63Å; D1115-R1118 PolarHBondContact O-N 2.89Å; D1115-R1118 IonicContact OD1-CZ 3.35Å; D1115-R1118 IonicContact OD1-NE 3.52Å; D1115-R1118 IonicContact OD1-NH2 2.71Å; D1115-R1118 PolarHBondContact OD1-NH2 3.48Å; D1115-A1119 VanDerWaalsContact O-CB 3.28Å; D1115-A1119 WeakPolarHBondContact O-CB 3.11Å; D1115-A1119 PolarHBondContact O-N 2.89Å
1116R69.8Low67.8Low167 Ų16796.3 Ų96.363%0.6351%0.509SS*.Hα-helixtrans-75.8-33177.9-68.7172.477.8164.53.9112.5E1112 R1113 D1114 A1120E1112-R1116 WeakPolarHBondContact O-CB 3.42Å; E1112-R1116 WeakPolarHBondContact O-CG 3.29Å; E1112-R1116 PolarHBondContact O-N 3.43Å; E1112-R1116 VanDerWaalsContact OE1-CD 3.22Å; E1112-R1116 WeakPolarHBondContact OE1-CD 3.46Å; E1112-R1116 IonicContact OE1-CZ 2.71Å; E1112-R1116 IonicContact OE1-NE 3.51Å; E1112-R1116 IonicContact OE1-NH1 3.87Å; E1112-R1116 PolarHBondContact OE1-NH1 3.3Å; R1113-R1116 PolarHBondContact O-N 3.23Å; D1114-R1116 VanDerWaalsContact C-N 3.33Å; D1114-R1116 PolarHBondContact O-N 2.88Å; R1116-A1120 VanDerWaalsContact O-CB 3.3Å; R1116-A1120 WeakPolarHBondContact O-CB 3.35Å; R1116-A1120 PolarHBondContact O-N 3.29Å
1117L72Confident66.1Low88 Ų8894.9 Ų94.946%0.46152%0.516SS..Hα-helixtrans-65.7-43.6168.9-77.8166.6000111.3R1113 D1114 A1120 A1121R1113-L1117 HydrophobicContact CG-CD1 4.37Å; R1113-L1117 WeakPolarHBondContact O-CB 3.47Å; R1113-L1117 VanDerWaalsContact O-CG 3.29Å; R1113-L1117 WeakPolarHBondContact O-CG 3.42Å; R1113-L1117 PolarHBondContact O-N 3.42Å; D1114-L1117 PolarHBondContact O-N 2.8Å; L1117-A1120 PolarHBondContact O-N 2.85Å; L1117-A1121 VanDerWaalsContact O-CB 3.31Å; L1117-A1121 WeakPolarHBondContact O-CB 3.19Å; L1117-A1121 PolarHBondContact O-N 3.42Å
1118R73.9Confident64.3Low149 Ų14995.6 Ų95.656%0.56253%0.526SS*.Hα-helixtrans-64-40.5174.1175.7161.156.6-156.3-0.4112D1114 D1115 N1122D1114-R1118 WeakPolarHBondContact O-CB 3.43Å; D1114-R1118 PolarHBondContact O-N 2.72Å; D1115-R1118 PolarHBondContact O-N 2.89Å; D1115-R1118 IonicContact OD1-CZ 3.35Å; D1115-R1118 IonicContact OD1-NE 3.52Å; D1115-R1118 IonicContact OD1-NH2 2.71Å; D1115-R1118 PolarHBondContact OD1-NH2 3.48Å; R1118-N1122 VanDerWaalsContact O-CB 3.31Å; R1118-N1122 WeakPolarHBondContact O-CB 3.31Å; R1118-N1122 PolarHBondContact O-N 3.24Å
1119A69.1Low62.1Low58 Ų5894.1 Ų94.148%0.47953%0.53SS..Hα-helixtrans-65.1-41173.500000112D1115 N1122 A1123D1115-A1119 VanDerWaalsContact O-CB 3.28Å; D1115-A1119 WeakPolarHBondContact O-CB 3.11Å; D1115-A1119 PolarHBondContact O-N 2.89Å; A1119-N1122 PolarHBondContact O-N 3.44Å; A1119-A1123 VanDerWaalsContact O-CB 3.3Å; A1119-A1123 WeakPolarHBondContact O-CB 3.26Å; A1119-A1123 PolarHBondContact O-N 3.03Å
1120A65.1Low60.5Low44 Ų4495.4 Ų95.436%0.36454%0.54SS..Hα-helixtrans-68.4-40.5175.800000112.5R1116 L1117 A1123 M1124R1116-A1120 VanDerWaalsContact O-CB 3.3Å; R1116-A1120 WeakPolarHBondContact O-CB 3.35Å; R1116-A1120 PolarHBondContact O-N 3.29Å; L1117-A1120 PolarHBondContact O-N 2.85Å; A1120-A1123 PolarHBondContact O-N 2.9Å; A1120-M1124 HydrophobicContact CB-CE 4.37Å; A1120-M1124 WeakPolarHBondContact O-CB 3.47Å; A1120-M1124 WeakPolarHBondContact O-CE 3.17Å; A1120-M1124 WeakPolarHBondContact O-CG 3.48Å; A1120-M1124 PolarHBondContact O-N 2.84Å
1121A63.6Low58.4Low51 Ų51102.8 Ų102.842%0.42157%0.569SS.*Hα-helixtrans-63.2-43.5173.800000111.5L1117 M1124 A1125L1117-A1121 VanDerWaalsContact O-CB 3.31Å; L1117-A1121 WeakPolarHBondContact O-CB 3.19Å; L1117-A1121 PolarHBondContact O-N 3.42Å; A1121-M1124 PolarHBondContact O-N 3.16Å; A1121-A1125 WeakPolarHBondContact O-CB 3.26Å; A1121-A1125 PolarHBondContact O-N 3.06Å
1122N63.5Low56.4Low95 Ų95103.7 Ų103.751%0.50858%0.579SS.*Hα-helixtrans-64.7-38.8173.3-72.3-6.8000111.9R1118 A1119 A1125 L1126R1118-N1122 VanDerWaalsContact O-CB 3.31Å; R1118-N1122 WeakPolarHBondContact O-CB 3.31Å; R1118-N1122 PolarHBondContact O-N 3.24Å; A1119-N1122 PolarHBondContact O-N 3.44Å; N1122-A1125 PolarHBondContact O-N 2.85Å; N1122-L1126 WeakPolarHBondContact O-CB 3.39Å; N1122-L1126 VanDerWaalsContact O-CG 3.23Å; N1122-L1126 WeakPolarHBondContact O-CG 3.48Å; N1122-L1126 PolarHBondContact O-N 2.86Å
1123A61.1Low54.6Low58 Ų58103.9 Ų103.948%0.47959%0.592SS.*Hα-helixtrans-65.9-38.8175.500000112.2A1119 A1120 L1126 A1127A1119-A1123 VanDerWaalsContact O-CB 3.3Å; A1119-A1123 WeakPolarHBondContact O-CB 3.26Å; A1119-A1123 PolarHBondContact O-N 3.03Å; A1120-A1123 PolarHBondContact O-N 2.9Å; A1123-L1126 PolarHBondContact O-N 3.4Å; A1123-A1127 WeakPolarHBondContact O-CB 3.38Å; A1123-A1127 PolarHBondContact O-N 2.96Å
1124M51Low52.2Low128 Ų128103.7 Ų103.763%0.63160%0.603SS**Hα-helixtrans-69-38.8173.2-73.8-177.4-76.500112A1120 A1121 A1127 V1128A1120-M1124 HydrophobicContact CB-CE 4.37Å; A1120-M1124 WeakPolarHBondContact O-CB 3.47Å; A1120-M1124 WeakPolarHBondContact O-CE 3.17Å; A1120-M1124 WeakPolarHBondContact O-CG 3.48Å; A1120-M1124 PolarHBondContact O-N 2.84Å; A1121-M1124 PolarHBondContact O-N 3.16Å; M1124-A1127 PolarHBondContact O-N 3.04Å; M1124-V1128 WeakPolarHBondContact O-CG2 3.3Å; M1124-V1128 PolarHBondContact O-N 3.15Å
1125A46.4Very low50.3Low63 Ų63107.6 Ų107.652%0.52162%0.622SS.*Hα-helixtrans-64.7-39.2173.600000112.3A1121 N1122 V1128A1121-A1125 WeakPolarHBondContact O-CB 3.26Å; A1121-A1125 PolarHBondContact O-N 3.06Å; N1122-A1125 PolarHBondContact O-N 2.85Å; A1125-V1128 CarbonylContact O-C 3.59Å; A1125-V1128 PolarHBondContact O-N 2.96Å; A1125-V1128 VanDerWaalsContact O-N 3.17Å
1126L47.3Very low48.1Very low139 Ų139108.6 Ų108.673%0.72864%0.64SS**Hα-helixtrans-73.1-26.6175.3-71.2167.8000113N1122 A1123 V1128N1122-L1126 WeakPolarHBondContact O-CB 3.39Å; N1122-L1126 VanDerWaalsContact O-CG 3.23Å; N1122-L1126 WeakPolarHBondContact O-CG 3.48Å; N1122-L1126 PolarHBondContact O-N 2.86Å; A1123-L1126 PolarHBondContact O-N 3.4Å; L1126-V1128 PolarHBondContact O-N 3Å
1127A43.2Very low46.3Very low81 Ų81106.6 Ų106.667%0.66965%0.65SS**Hα-helixtrans-71.7-12.816900000113A1123 M1124A1123-A1127 WeakPolarHBondContact O-CB 3.38Å; A1123-A1127 PolarHBondContact O-N 2.96Å; M1124-A1127 PolarHBondContact O-N 3.04Å
1128V37.3Very low44.2Very low123 Ų123109.6 Ų109.675%0.74567%0.667SS**SBendtrans-100.958.3171.8-174.30000109.6M1124 A1125 L1126M1124-V1128 WeakPolarHBondContact O-CG2 3.3Å; M1124-V1128 PolarHBondContact O-N 3.15Å; A1125-V1128 CarbonylContact O-C 3.59Å; A1125-V1128 PolarHBondContact O-N 2.96Å; A1125-V1128 VanDerWaalsContact O-N 3.17Å; L1126-V1128 PolarHBondContact O-N 3Å
1129S28.9Very low42.3Very low90 Ų90109.3 Ų109.363%0.62968%0.675SS**SBendtrans-152.9140.1162.2-79.90000110.2
1130P40.6Very low40.6Very low114 Ų114111.5 Ų111.574%0.7468%0.679SS**  trans-91.7151.1-161.535-36.6000114.6
1131M29Very low38.9Very low181 Ų181118.2 Ų118.289%0.89270%0.7SS**  trans-130.4115154.4-54.1-161.988.700107.3
1132T28.8Very low37.2Very low111 Ų111121.4 Ų121.468%0.68172%0.719SS**  cis82.292.54571.70000114.9
1133S32.3Very low35.6Very low106 Ų106120.4 Ų120.474%0.74173%0.732SS**  trans-171.4109.7137.559.10000112.2
1134D27.2Very low34Very low155 Ų155125.6 Ų125.683%0.82975%0.75SS**  trans26.9124.8140.1-45.5-41000121.8
1135I33.9Very low32.8Very low183 Ų183123.8 Ų123.894%0.93875%0.75SS**  -157.4145.7114.6-98.4155.7000107.8
1136A26.6Very low31.9Very low96 Ų96125.9 Ų125.979%0.79376%0.761SS**  trans-115.7143.4-156.800000116.1
1137C31.1Very low31Very low125 Ų125126 Ų12685%0.84577%0.767SS**  trans-155.983.4156.547.70000113.7
1138N29.1Very low30.3Very low151 Ų151127 Ų12781%0.80777%0.769SS**  trans22.4117.3135.1-92.93.6000117.7
1139I33.9Very low29.7Very low143 Ų143128.8 Ų128.873%0.73378%0.775SS**  -178.1142.671.3-98.4144.8000112.5
1140D32.1Very low29.5Very low105 Ų105129.7 Ų129.756%0.56178%0.78SS**  trans20.1123.8157.8-64.4-64.8000126
1141K30.8Very low28.9Very low184 Ų184132.1 Ų132.180%0.879%0.785SS**  54.8145.6117.6-61.3170.9-174.4128.40120.7
1142S28.1Very low28.8Very low118 Ų118130.8 Ų130.883%0.82578%0.776SS**  cis-175.1147.3-5.547.60000110.9
1143G29.2Very low28.8Very low75 Ų75135.3 Ų135.377%0.77378%0.782SS**  trans166.897.6166.500000119.3
1144L26.6Very low28.5Very low166 Ų166136.2 Ų136.287%0.86978%0.778SS**  trans40.6117.2142.4-72.1166.9000123.8
1145S26.1Very low28.5Very low91 Ų91139.4 Ų139.464%0.63678%0.78SS**  trans55.2121.3130.865.80000123.6
1146S28.3Very low28.1Very low106 Ų106135.9 Ų135.974%0.74177%0.771SS**  trans57.8115.2142.564.60000121
1147V28.7Very low28.2Very low142 Ų142136.9 Ų136.986%0.86177%0.767SS**  -165.2153.9116.7138.90000108.7
1148S28Very low28Very low102 Ų102141.5 Ų141.571%0.71377%0.767SS**  trans-64.1149177-51.20000113
1149N25.3Very low28Very low160 Ų160142.6 Ų142.686%0.85677%0.767SS**  -169.4155.5125.3-100.2-23.9000113.7
1150C23.4Very low27.7Very low109 Ų109142.9 Ų142.974%0.73677%0.765SS**  trans-76146.7174.6-560000111.2
1151I29.3Very low27.6Very low165 Ų165145 Ų14585%0.84677%0.771SS**  trans-128119.2157.4-58.6-179.2000108
1152H25.3Very low27.4Very low153 Ų153143.5 Ų143.571%0.70877%0.766SS**  trans-116.6125.4170.7-161.5134.9000106.3
1153Y28.7Very low27.6Very low207 Ų207145.4 Ų145.481%0.81276%0.762SS**  trans-145.6122.1168.5-124.3-84000110.9
1154N26.6Very low27.7Very low124 Ų124148.9 Ų148.966%0.66376%0.758SS**  trans-88151.9167.8-78.6-78.2000109.3
1155Y27.3Very low27.8Very low222 Ų222146.6 Ų146.687%0.87175%0.746SS**  trans-151.7156.3136.4-121.4-80.3000110.4
1156C25.7Very low28.3Very low109 Ų109149.2 Ų149.274%0.73675%0.748SS**  trans-144.1173.1-172.1-168.20000110.9
1157V29.5Very low28.4Very low118 Ų118151 Ų15172%0.71575%0.745SS**  trans92.2102.9167.1-171.60000118
1158R27Very low28.6Very low221 Ų221151.1 Ų151.183%0.83474%0.736SS**  trans46118134.5-69.1178.3178.6141.61.3120.5
1159H28.4Very low28.8Very low174 Ų174153.7 Ų153.781%0.80674%0.737SS**  77.6114.976.3-93-97000116.1
1160H27.8Very low29Very low150 Ų150151.7 Ų151.769%0.69473%0.725SS**  178.1136.7116.8-109.2-88.7000114
1161H29Very low29.4Very low150 Ų150154.8 Ų154.869%0.69473%0.728SS**  trans51.9152.3142.6-72.90.8000122.7
1162H27.6Very low29.6Very low151 Ų151150.8 Ų150.870%0.69972%0.715SS**  cis-165.1-164.8-20.9-135.4-46000109.7
1163H31.8Very low30Very low158 Ų158150.2 Ų150.273%0.73172%0.717SS**  trans72.5122.9-178.1-74-98.7000116.4
1164H31.4Very low30.1Very low148 Ų148146.9 Ų146.969%0.68571%0.713SS**  85.5137.258.4-84.3-72.6000112.6
1165D29Very low30.4Very low119 Ų119146.5 Ų146.564%0.63672%0.715SS**  cis-169.6-171.1-14.8-146-38.3000111.1
1166H35.8Very low30.5Very low146 Ų146145.1 Ų145.168%0.67671%0.71SS**  trans80.9117.1172-66.4-53.6000116.5
1167Q30.5Very low30.8Very low144 Ų144146 Ų14667%0.67371%0.707SS**  74.5140.174.6-74.1-176.535.900113.2
1168Q33.9Very low30.7Very low144 Ų144146 Ų14667%0.67371%0.707SS**  cis-152.4135.226.1-117.9151.552.600109.4
1169Q32Very low30.7Very low156 Ų156141.6 Ų141.673%0.72970%0.696SS**  92.7124.991.8-85.4-168.3-3.600119.2
1170I29.5Very low30.8Very low118 Ų118142.3 Ų142.361%0.60570%0.7SS**  trans58.2120.1140.4-43.5162.4000117.2
1171H31.4Very low30.7Very low174 Ų174142.4 Ų142.481%0.80670%0.7SS**  -160.315670.5-74.774.5000109.8
1172S33.2Very low30.7Very low80 Ų80143.7 Ų143.756%0.55971%0.71SS**  cis-165.2159.5-5.4-101.70000111.5
1173N33.2Very low30.6Very low141 Ų141140.6 Ų140.675%0.75471%0.711SS**  trans68.1143.8167.8-51.4-22.1000115.9
1174N32.2Very low30.5Very low138 Ų138140.7 Ų140.774%0.73872%0.716SS**  cis-170.8162.2-10.3-100.8-14.9000106.9
1175V33Very low30.3Very low116 Ų116140.2 Ų140.270%0.70372%0.718SS**  cis-156.5173.13.9105.70000110.9
1176Y29.3Very low30.3Very low192 Ų192138.6 Ų138.675%0.75372%0.715SS**  trans-51.5169.3170.4-64.2-91000116.8
1177N30.6Very low30.3Very low128 Ų128134.6 Ų134.668%0.68470%0.701SS**  cis-148.314812-112.1-16.7000107.5
1178V29Very low29.9Very low117 Ų117134.4 Ų134.471%0.70970%0.7SS**  65.3136.354170.40000112
1179Q26.4Very low29.4Very low129 Ų129131.7 Ų131.760%0.60369%0.69SS**  cis-178.3144.2-13.2171.569-4.900106.3H1181Q1179-H1181 PolarHBondContact NE2-CD2 3.31Å; Q1179-H1181 VanDerWaalsContact NE2-CD2 3.29Å; Q1179-H1181 PolarHBondContact NE2-NE2 3.25Å; Q1179-H1181 VanDerWaalsContact NE2-NE2 3.18Å
1180Q30.1Very low28.9Very low190 Ų190129.2 Ų129.289%0.88868%0.678SS**  trans-179.3144.5136.1-100.9163.322.700113.6
1181H26.4Very low28.8Very low151 Ų151126.7 Ų126.770%0.69967%0.671SS**  trans-93.5166.7175.6-65.1-145.1000109.8Q1179Q1179-H1181 PolarHBondContact NE2-CD2 3.31Å; Q1179-H1181 VanDerWaalsContact NE2-CD2 3.29Å; Q1179-H1181 PolarHBondContact NE2-NE2 3.25Å; Q1179-H1181 VanDerWaalsContact NE2-NE2 3.18Å
1182I28.9Very low28.6Very low177 Ų177124.9 Ų124.991%0.90867%0.665SS**  -156155.6116.1-102154000109.1
1183A24.3Very low28.1Very low86 Ų86123.6 Ų123.671%0.71165%0.653SS**  trans-84.8158.6-162.100000114.9
1184L30.6Very low27.9Very low160 Ų160122.8 Ų122.884%0.83864%0.644SS**  trans-149.598.6142.1-102.1-179.4000111.2
1185N26.6Very low27.6Very low138 Ų138122.4 Ų122.474%0.73863%0.632SS**  trans52.7157.7153-65.3-11000123
1186P30.1Very low27.3Very low86 Ų86122.2 Ų122.256%0.55863%0.627SS**  trans-121.9-128.2-159.427.1-0.4000114.1S1446P1186-S1446 PolarHBondContact O-OG 2.9Å
1187P35.6Very low27.2Very low61 Ų61120.7 Ų120.740%0.39663%0.629SS.*  -116.3-143.7-97.737.6-23.7000114.3N1445 S1446 N1447P1187-N1445 WeakPolarHBondContact CD-O 3.38Å; P1187-S1446 CarbonylContact C-O 3.46Å; P1187-S1446 VanDerWaalsContact C-O 3.31Å; P1187-S1446 WeakPolarHBondContact CD-O 3.26Å; P1187-S1446 WeakPolarHBondContact CD-OG 3.5Å; P1187-S1446 CarbonylContact O-C 3.4Å; P1187-N1447 PolarHBondContact O-N 2.75Å
1188H22.8Very low27Very low140 Ų140120.9 Ų120.965%0.64863%0.63SS**  trans58148.2148.9-109.1-80.7000124.1S1446 N1447 S1448H1188-S1446 WeakPolarHBondContact CB-O 3.37Å; H1188-N1447 CarbonylContact O-C 3.44Å; H1188-N1447 VanDerWaalsContact O-C 3.27Å; H1188-S1448 PolarHBondContact O-N 3.34Å; H1188-S1448 PolarHBondContact O-OG 2.94Å
1189L21.4Very low26.9Very low88 Ų88122.9 Ų122.946%0.46164%0.636SS.*  trans61145.4179.7-75.874.6000110.8S1448L1189-S1448 WeakPolarHBondContact CB-O 3.36Å; L1189-S1448 WeakPolarHBondContact O-CB 3.29Å; L1189-S1448 PolarHBondContact O-OG 2.84Å
1190H22.3Very low27Very low104 Ų104125.4 Ų125.448%0.48165%0.648SS.*  cis173158.410-104.9-179.1000102.6P1449 L1450H1190-P1449 CarbonylContact C-O 3.53Å; H1190-L1450 VanDerWaalsContact CB-CA 3.41Å; H1190-L1450 HydrophobicContact CB-CB 3.57Å; H1190-L1450 HydrophobicContact CB-CD1 4.13Å; H1190-L1450 HydrophobicContact CB-CG 3.73Å; H1190-L1450 WeakPolarHBondContact ND1-CB 3.09Å; H1190-L1450 PolarHBondContact ND1-N 3Å
1191S27Very low26.9Very low64 Ų64124.7 Ų124.745%0.44865%0.65SS.*  trans-41.3152.8-171.7-171.70000121.8L1450 T1451S1191-L1450 VanDerWaalsContact CB-CD2 3.41Å; S1191-T1451 WeakPolarHBondContact O-CG2 3.16Å; S1191-T1451 PolarHBondContact O-N 3.11Å; S1191-T1451 PolarHBondContact O-OG1 3.46Å
1192I27.5Very low27Very low136 Ų136125.2 Ų125.270%0.69766%0.656SS**  trans-117.3133.7153.3-101.973.2000114.2T1451I1192-T1451 WeakPolarHBondContact CA-OG1 3.4Å; I1192-T1451 HydrophobicContact CD1-CG2 3.85Å; I1192-T1451 HydrophobicContact CG1-CG2 4.04Å
1193D22.4Very low27.1Very low54 Ų54120.1 Ų120.129%0.28963%0.634SS.*  trans-18134164.3-90.3-149.4000121.4R1195 T1451 T1452 T1453D1193-R1195 IonicContact OD1-NH2 3.99Å; D1193-R1195 PolarHBondContact OD1-NH2 2.66Å; D1193-T1451 PolarHBondContact N-OG1 2.68Å; D1193-T1451 WeakPolarHBondContact OD2-CB 3.18Å; D1193-T1451 PolarHBondContact OD2-OG1 3.07Å; D1193-T1452 PolarHBondContact OD2-N 2.64Å; D1193-T1453 WeakPolarHBondContact CA-OG1 3.38Å; D1193-T1453 WeakPolarHBondContact CB-OG1 3.33Å; D1193-T1453 WeakPolarHBondContact OD1-CG2 3.21Å; D1193-T1453 PolarHBondContact OD1-OG1 3.44Å; D1193-T1453 VanDerWaalsContact OD1-OG1 3.05Å; D1193-T1453 PolarHBondContact OD2-N 2.91Å
1194H29Very low27.3Very low123 Ų123118.1 Ų118.157%0.56961%0.614SS**  trans-59146.4157.4-79.4-127.7000114.5T1453 S1454H1194-T1453 VanDerWaalsContact CB-O 3.25Å; H1194-T1453 WeakPolarHBondContact CB-O 3.12Å; H1194-T1453 PolarHBondContact CD2-O 2.95Å; H1194-T1453 PolarHBondContact N-O 3Å; H1194-T1453 PolarHBondContact N-OG1 3.45Å; H1194-T1453 PolarHBondContact O-OG1 3.38Å; H1194-S1454 PolarHBondContact CD2-OG 3.49Å; H1194-S1454 PolarHBondContact CE1-OG 3.01Å; H1194-S1454 PolarHBondContact NE2-OG 2.73Å
1195R25.9Very low27.5Very low131 Ų131115 Ų11549%0.49460%0.597SS.*  -171158.1124.8-112.4157.4-73.2149.83.4118D1193 T1453D1193-R1195 IonicContact OD1-NH2 3.99Å; D1193-R1195 PolarHBondContact OD1-NH2 2.66Å; R1195-T1453 VanDerWaalsContact NH2-CG2 3.32Å; R1195-T1453 PolarHBondContact NH2-OG1 2.8Å; R1195-T1453 VanDerWaalsContact NH2-OG1 3.14Å
1196N26.9Very low28.1Very low111 Ų111109.7 Ų109.759%0.59457%0.57SS**  trans58.291.6161.2-75.359.6000118.9
1197M27.6Very low28.7Very low160 Ų160106.5 Ų106.579%0.78855%0.549SS*.  trans-123.9108.4137.6-81.3-69.4148.600107.5
1198D27.1Very low29.2Very low132 Ų132106.8 Ų106.871%0.70655%0.552SS**  trans-12290.7173.6-75.9-51.6000108.4
1199N26.5Very low30.3Very low159 Ų159101 Ų10185%0.8553%0.527SS*.SBendtrans-176.5140.6138.8-96.4-27.2000112.4
1200E27.2Very low31.7Very low183 Ų183101.8 Ų101.886%0.85554%0.536SS*.SBendtrans64.7143.5171.2-53.5-160.3132.100119.1
1201L28.5Very low33.4Very low174 Ų174101.4 Ų101.491%0.91155%0.545SS*.  trans72.443163.8-142.278.8000121.1
1202I29.6Very low34.8Very low163 Ų163103.8 Ų103.884%0.83655%0.553SS**  trans-135.6124.6155.3-51.5179.4000111.1
1203P29.9Very low36.6Very low70 Ų7098.3 Ų98.346%0.45553%0.526SS..  trans-87.4161.1179.734.2-35.1000114.9T1206P1203-T1206 WeakPolarHBondContact CB-OG1 3.43Å; P1203-T1206 HydrophobicContact CG-CG2 4.23Å; P1203-T1206 WeakPolarHBondContact CG-OG1 3.49Å
1204P28.9Very low38.9Very low44 Ų4498.2 Ų98.229%0.28653%0.525SS..THydrogen-bonded Turntrans-98.1108.5-157.935.4-33.3000115.5T1206P1204-T1206 PolarHBondContact O-N 2.97Å
1205I34.1Very low41.2Very low93 Ų9399.8 Ų99.848%0.47753%0.526SS..THydrogen-bonded Turntrans37.952.9-163.3-49.1-159.8000110.6K1524I1205-K1524 HydrophobicContact CD1-CB 3.57Å; I1205-K1524 HydrophobicContact CD1-CD 4.08Å; I1205-K1524 HydrophobicContact CD1-CG 3.63Å; I1205-K1524 HydrophobicContact CG1-CB 4.32Å; I1205-K1524 HydrophobicContact CG1-CD 4.31Å; I1205-K1524 HydrophobicContact CG1-CG 3.86Å
1206T39.8Very low44.1Very low27 Ų2797.8 Ų97.817%0.16652%0.522CS..  trans-64.3137.5152.5-52.30000107.2P1203 P1204 H1316P1203-T1206 WeakPolarHBondContact CB-OG1 3.43Å; P1203-T1206 HydrophobicContact CG-CG2 4.23Å; P1203-T1206 WeakPolarHBondContact CG-OG1 3.49Å; P1204-T1206 PolarHBondContact O-N 2.97Å; T1206-H1316 WeakPolarHBondContact CG2-CE1 3.32Å; T1206-H1316 PolarHBondContact OG1-CE1 2.94Å; T1206-H1316 PolarHBondContact OG1-NE2 3.24Å
1207C43.2Very low47Very low19 Ų1996.2 Ų96.213%0.12851%0.511CS..  trans-13.4144.9139.5-161.10000113.2C1209 C1213 C1318 C1325 C1328C1207-C1209 HydrophobicContact CB-CB 3.62Å; C1207-C1209 WeakPolarHBondContact CB-SG 3.43Å; C1207-C1209 PolarHBondContact O-N 3.22Å; C1207-C1209 WeakPolarHBondContact SG-CB 3.39Å; C1207-C1209 CovalentContact SG-SG 2.02Å; C1207-C1209 PolarHBondContact SG-SG 2.84Å; C1207-C1213 HydrophobicContact CB-CB 4.34Å; C1207-C1318 HydrophobicContact CB-CB 4.25Å; C1207-C1318 PolarHBondContact SG-SG 2.91Å; C1207-C1325 PolarHBondContact SG-SG 2.78Å; C1207-C1328 PolarHBondContact SG-SG 3.33Å
1208C45.3Very low50.2Low68 Ų6892 Ų9246%0.45949%0.492SS..SBendtrans-74.245.3175.7-54.40000112.5T1327 L1331C1208-T1327 WeakPolarHBondContact O-CG2 3.41Å; C1208-L1331 HydrophobicContact CB-CD1 3.6Å; C1208-L1331 HydrophobicContact CB-CD2 4.25Å; C1208-L1331 HydrophobicContact CB-CG 4.4Å
1209C45.5Very low53.4Low18 Ų1888.5 Ų88.512%0.12247%0.47CS..SBendtrans-148.3133.4-150.6-34.70000106.2C1207 C1213 C1325 T1327C1207-C1209 HydrophobicContact CB-CB 3.62Å; C1207-C1209 WeakPolarHBondContact CB-SG 3.43Å; C1207-C1209 PolarHBondContact O-N 3.22Å; C1207-C1209 WeakPolarHBondContact SG-CB 3.39Å; C1207-C1209 CovalentContact SG-SG 2.02Å; C1207-C1209 PolarHBondContact SG-SG 2.84Å; C1209-C1213 HydrophobicContact CB-CB 3.83Å; C1209-C1213 WeakPolarHBondContact CB-SG 3.44Å; C1209-C1325 PolarHBondContact SG-SG 3.43Å; C1209-T1327 VanDerWaalsContact SG-CB 3.57Å
1210T52.2Low56.7Low105 Ų10585.7 Ų85.764%0.64446%0.455SS*.  trans-65.7178.4-176.837.90000112.5D1212 C1213T1210-D1212 WeakPolarHBondContact CB-OD2 3.28Å; T1210-D1212 PolarHBondContact O-N 3.45Å; T1210-D1212 PolarHBondContact OG1-OD2 2.89Å; T1210-C1213 PolarHBondContact O-N 2.94Å
1211S56.6Low60Low96 Ų9677.1 Ų77.167%0.67142%0.415SS*.G310 helixtrans-47.3-24.2-174-50.20000115C1213 I1214S1211-C1213 PolarHBondContact O-N 2.87Å; S1211-C1213 VanDerWaalsContact O-N 3.11Å; S1211-I1214 WeakPolarHBondContact O-CB 3.49Å; S1211-I1214 PolarHBondContact O-N 2.96Å
1212D58.1Low63.2Low114 Ų11472 Ų7261%0.6139%0.391SS*.G310 helixtrans-52.9-24.3173.1-37.8-83.2000113.8T1210 I1214T1210-D1212 WeakPolarHBondContact CB-OD2 3.28Å; T1210-D1212 PolarHBondContact O-N 3.45Å; T1210-D1212 PolarHBondContact OG1-OD2 2.89Å; D1212-I1214 VanDerWaalsContact C-N 3.34Å
1213C64.3Low66.4Low21 Ų2164.3 Ų64.314%0.14235%0.352CS..G310 helixtrans-91.816.4177-72.60000114.1C1207 C1209 T1210 S1211 H1316 I1317C1207-C1213 HydrophobicContact CB-CB 4.34Å; C1209-C1213 HydrophobicContact CB-CB 3.83Å; C1209-C1213 WeakPolarHBondContact CB-SG 3.44Å; T1210-C1213 PolarHBondContact O-N 2.94Å; S1211-C1213 PolarHBondContact O-N 2.87Å; S1211-C1213 VanDerWaalsContact O-N 3.11Å; C1213-H1316 WeakPolarHBondContact O-CA 3.3Å; C1213-H1316 PolarHBondContact O-ND1 3.37Å; C1213-I1317 PolarHBondContact O-N 2.85Å
1214I71.3Confident69.5Low51 Ų5169.4 Ų69.426%0.26236%0.362SS..EExtended strand (participates in β ladder)trans-106.6123.1168.2-61.2166.4000108.5S1211 D1212 Q1314 H1316S1211-I1214 WeakPolarHBondContact O-CB 3.49Å; S1211-I1214 PolarHBondContact O-N 2.96Å; D1212-I1214 VanDerWaalsContact C-N 3.34Å; I1214-Q1314 HydrophobicContact CG2-CB 3.94Å; I1214-Q1314 HydrophobicContact CG2-CG 4.03Å; I1214-H1316 WeakPolarHBondContact CG1-CE1 3.36Å
1215R76.7Confident72.6Confident157 Ų15768.4 Ų68.459%0.59235%0.353SS*.EExtended strand (participates in β ladder)trans-105.5136.6164.5-78.8176.160.7-166.4-4.9109.5V1315 I1317R1215-V1315 PolarHBondContact N-O 3.42Å; R1215-V1315 PolarHBondContact O-N 3.09Å; R1215-I1317 HydrophobicContact CB-CG1 4.46Å; R1215-I1317 HydrophobicContact CG-CD1 3.87Å; R1215-I1317 HydrophobicContact CG-CG1 3.82Å
1216E85.9Confident75.3Confident89 Ų8965.5 Ų65.542%0.41634%0.341SS..EExtended strand (participates in β ladder)trans-84.8132.7164-51.9-151.3122.600109.3R1312 R1313 Q1314E1216-R1312 HydrophobicContact CB-CG 3.88Å; E1216-R1312 WeakPolarHBondContact OE2-CD 3.34Å; E1216-R1312 IonicContact OE2-NH1 3.27Å; E1216-R1312 PolarHBondContact OE2-NH1 3.34Å; E1216-R1313 CarbonylContact C-O 3.53Å; E1216-R1313 WeakPolarHBondContact CA-O 3.48Å; E1216-Q1314 HydrophobicContact CG-CG 4.17Å; E1216-Q1314 PolarHBondContact OE1-NE2 3.24Å
1217E89.6Confident77.7Confident77 Ų7769.6 Ų69.636%0.3637%0.371SS..EExtended strand (participates in β ladder)trans-123.9122.9177.6-166.2-164.8162.500109.4K1219 R1313 V1315E1217-K1219 HydrophobicContact CG-CG 4.45Å; E1217-K1219 IonicContact OE1-NZ 2.73Å; E1217-K1219 PolarHBondContact OE1-NZ 3.09Å; E1217-K1219 WeakPolarHBondContact OE2-CE 3.41Å; E1217-K1219 IonicContact OE2-NZ 3.25Å; E1217-K1219 PolarHBondContact OE2-NZ 2.74Å; E1217-R1313 PolarHBondContact N-O 3.43Å; E1217-R1313 PolarHBondContact O-N 2.02Å; E1217-V1315 HydrophobicContact CB-CG2 4.31Å
1218D93.7Very high79.8Confident72 Ų7272.1 Ų72.139%0.38539%0.389SS..EExtended strand (participates in β ladder)trans-84.8122.9172.7-76.6-26.4000110.2L1310 V1311 R1312D1218-L1310 HydrophobicContact CB-CD1 4.32Å; D1218-V1311 CarbonylContact C-O 3.56Å; D1218-V1311 WeakPolarHBondContact CA-O 3.44Å; D1218-R1312 VanDerWaalsContact OD1-CB 3.25Å; D1218-R1312 WeakPolarHBondContact OD1-CB 3.34Å; D1218-R1312 WeakPolarHBondContact OD1-CG 3.45Å; D1218-R1312 IonicContact OD1-CZ 3.63Å; D1218-R1312 IonicContact OD1-NE 3.34Å; D1218-R1312 PolarHBondContact OD1-NE 2.91Å; D1218-R1312 IonicContact OD1-NH2 2.82Å; D1218-R1312 PolarHBondContact OD1-NH2 2.98Å; D1218-R1312 IonicContact OD2-CZ 3.25Å; D1218-R1312 IonicContact OD2-NE 2.68Å; D1218-R1312 IonicContact OD2-NH2 3.65Å; D1218-R1312 PolarHBondContact OD2-NH2 2.71Å
1219K94.8Very high82Confident58 Ų5869.8 Ų69.825%0.25238%0.376SS..EExtended strand (participates in β ladder)trans-119.7132.3178.4-63.6-176.6-172.2-72.20110.3E1217 I1221 V1311E1217-K1219 HydrophobicContact CG-CG 4.45Å; E1217-K1219 IonicContact OE1-NZ 2.73Å; E1217-K1219 PolarHBondContact OE1-NZ 3.09Å; E1217-K1219 WeakPolarHBondContact OE2-CE 3.41Å; E1217-K1219 IonicContact OE2-NZ 3.25Å; E1217-K1219 PolarHBondContact OE2-NZ 2.74Å; K1219-I1221 HydrophobicContact CB-CG1 4.46Å; K1219-V1311 HydrophobicContact CB-CG2 4.19Å; K1219-V1311 PolarHBondContact N-O 3.24Å; K1219-V1311 PolarHBondContact O-N 3.39Å
1220L95.9Very high84.3Confident101 Ų10169.8 Ų69.853%0.52938%0.375SS..EExtended strand (participates in β ladder)trans-91.3118.5170.4-175.166.1000109.1N1308 L1310L1220-N1308 HydrophobicContact CD1-CB 4.22Å; L1220-L1310 HydrophobicContact CB-CD1 4.35Å
1221I96.1Very high86.3Confident2 Ų265 Ų651%0.0135%0.347CS..EExtended strand (participates in β ladder)trans-116.9130.9-177.1-59.7175.8000109.1K1219 L1223 Q1271 L1272 L1309 V1311K1219-I1221 HydrophobicContact CB-CG1 4.46Å; I1221-L1223 HydrophobicContact CG2-CD2 3.95Å; I1221-L1223 HydrophobicContact CG2-CG 4.07Å; I1221-Q1271 HydrophobicContact CD1-CB 4.23Å; I1221-Q1271 HydrophobicContact CG1-CB 4.21Å; I1221-Q1271 HydrophobicContact CG2-CB 4.11Å; I1221-L1272 HydrophobicContact CD1-CB 4.14Å; I1221-L1272 HydrophobicContact CD1-CD1 3.77Å; I1221-L1272 HydrophobicContact CG2-CB 4.45Å; I1221-L1309 PolarHBondContact N-O 3.09Å; I1221-L1309 PolarHBondContact O-N 2.83Å; I1221-V1311 HydrophobicContact CD1-CG2 3.53Å; I1221-V1311 HydrophobicContact CG1-CG2 4.22Å
1222T96.1Very high88.1Confident68 Ų6861.9 Ų61.942%0.41732%0.321SS..EExtended strand (participates in β ladder)trans-114.992.1-168.3-60.20000110.4I1306T1222-I1306 HydrophobicContact CG2-CG2 3.42Å; T1222-I1306 VanDerWaalsContact CG2-CG2 3.42Å
1223L96.1Very high89.9Confident1 Ų157.9 Ų57.91%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-97.9124.7-175.6-61.9-175.2000112.1I1221 K1225 L1230 F1232 A1266 D1269 L1272 V1307 L1309I1221-L1223 HydrophobicContact CG2-CD2 3.95Å; I1221-L1223 HydrophobicContact CG2-CG 4.07Å; L1223-K1225 PolarHBondContact O-N 3.32Å; L1223-L1230 HydrophobicContact CB-CD2 3.84Å; L1223-L1230 HydrophobicContact CD1-CD2 4.48Å; L1223-F1232 HydrophobicContact CD1-CD1 4.22Å; L1223-F1232 HydrophobicContact CD1-CE1 3.92Å; L1223-A1266 HydrophobicContact CD1-CB 3.81Å; L1223-D1269 HydrophobicContact CD2-CB 3.45Å; L1223-D1269 VanDerWaalsContact CD2-CB 3.45Å; L1223-D1269 WeakPolarHBondContact CD2-OD2 3.3Å; L1223-L1272 HydrophobicContact CD1-CD2 4.24Å; L1223-V1307 PolarHBondContact N-O 2.9Å; L1223-V1307 PolarHBondContact O-N 2.89Å; L1223-L1309 HydrophobicContact CD1-CD1 3.85Å; L1223-L1309 HydrophobicContact CG-CD1 4.41Å
1224R94.6Very high91.3Very high176 Ų17657.7 Ų57.766%0.66430%0.3SS*.EExtended strand (participates in β ladder)trans-82.1114.3168.5-171.3-178.5178.5-145.50.7110.3S1226 S1265 G1304 S1305R1224-S1226 PolarHBondContact O-N 3.11Å; R1224-S1265 VanDerWaalsContact O-CB 3.24Å; R1224-S1265 WeakPolarHBondContact O-CB 3.37Å; R1224-S1265 PolarHBondContact O-OG 3.05Å; R1224-G1304 WeakPolarHBondContact CG-O 3.47Å; R1224-G1304 PolarHBondContact NE-O 3.23Å; R1224-G1304 VanDerWaalsContact NE-O 3.16Å; R1224-S1305 CarbonylContact C-O 3.57Å; R1224-S1305 WeakPolarHBondContact CA-O 3.33Å
1225K94.1Very high92.3Very high23 Ų2357 Ų5710%0.130%0.298CS..  trans-61.3116.4-179.7-172.7167.4179.5175.90111L1223 L1230 L1298 R1299 K1301 G1304 S1305L1223-K1225 PolarHBondContact O-N 3.32Å; K1225-L1230 HydrophobicContact CB-CD2 3.87Å; K1225-L1230 HydrophobicContact CB-CG 4.28Å; K1225-L1230 HydrophobicContact CD-CG 4.38Å; K1225-L1230 HydrophobicContact CG-CD2 4.27Å; K1225-L1230 HydrophobicContact CG-CG 4.13Å; K1225-L1298 PolarHBondContact NZ-O 2.85Å; K1225-R1299 PolarHBondContact NZ-O 2.74Å; K1225-K1301 HydrophobicContact CD-CB 4.27Å; K1225-K1301 WeakPolarHBondContact CD-O 3.5Å; K1225-K1301 WeakPolarHBondContact CE-O 3.32Å; K1225-K1301 PolarHBondContact NZ-O 2.9Å; K1225-G1304 VanDerWaalsContact O-CA 3.32Å; K1225-G1304 WeakPolarHBondContact O-CA 3.17Å; K1225-G1304 PolarHBondContact O-N 2.87Å; K1225-S1305 PolarHBondContact N-O 3.12Å
1226S91.3Very high93Very high32 Ų3251.6 Ų51.622%0.22428%0.282CS..BIsolated β-bridgetrans-83.8178.5177.869.20000112R1224 S1228 G1229 S1265R1224-S1226 PolarHBondContact O-N 3.11Å; S1226-S1228 VanDerWaalsContact C-N 3.27Å; S1226-S1228 PolarHBondContact OG-N 2.85Å; S1226-S1228 PolarHBondContact OG-OG 2.81Å; S1226-G1229 PolarHBondContact N-O 3.21Å; S1226-G1229 WeakPolarHBondContact O-CA 3.33Å; S1226-G1229 PolarHBondContact O-N 2.89Å; S1226-G1229 PolarHBondContact OG-N 2.88Å; S1226-G1229 PolarHBondContact OG-O 3.04Å; S1226-S1265 WeakPolarHBondContact CB-OG 3.21Å; S1226-S1265 PolarHBondContact N-OG 2.86Å; S1226-S1265 VanDerWaalsContact N-OG 3.11Å; S1226-S1265 PolarHBondContact OG-OG 3.37Å
1227S90.1Very high93Very high114 Ų11452.4 Ų52.480%0.79729%0.285SS*.THydrogen-bonded Turntrans-63.7-31.7169.345.50000112.4G1229S1227-G1229 PolarHBondContact O-N 2.94Å
1228S87Confident92.3Very high72 Ų7254 Ų5450%0.50330%0.295SS..THydrogen-bonded Turntrans-79.316167.344.30000113.3S1226S1226-S1228 VanDerWaalsContact C-N 3.27Å; S1226-S1228 PolarHBondContact OG-N 2.85Å; S1226-S1228 PolarHBondContact OG-OG 2.81Å
1229G91.7Very high91.2Very high19 Ų1953 Ų5320%0.19629%0.289CS..BIsolated β-bridgetrans76-145.1179.500000112.8S1226 S1227 S1265S1226-G1229 PolarHBondContact N-O 3.21Å; S1226-G1229 WeakPolarHBondContact O-CA 3.33Å; S1226-G1229 PolarHBondContact O-N 2.89Å; S1226-G1229 PolarHBondContact OG-N 2.88Å; S1226-G1229 PolarHBondContact OG-O 3.04Å; S1227-G1229 PolarHBondContact O-N 2.94Å; G1229-S1265 PolarHBondContact O-OG 2.88Å
1230L94.3Very high89.1Confident17 Ų1754.9 Ų54.99%0.08931%0.307CS..THydrogen-bonded Turntrans-93.5-11.7-178.3-72.3167.7000114L1223 K1225 F1232 S1265 A1266 L1298 V1307L1223-L1230 HydrophobicContact CB-CD2 3.84Å; L1223-L1230 HydrophobicContact CD1-CD2 4.48Å; K1225-L1230 HydrophobicContact CB-CD2 3.87Å; K1225-L1230 HydrophobicContact CB-CG 4.28Å; K1225-L1230 HydrophobicContact CD-CG 4.38Å; K1225-L1230 HydrophobicContact CG-CD2 4.27Å; K1225-L1230 HydrophobicContact CG-CG 4.13Å; L1230-F1232 HydrophobicContact CB-CD1 3.97Å; L1230-F1232 HydrophobicContact CB-CE1 3.62Å; L1230-F1232 HydrophobicContact CB-CZ 4.42Å; L1230-F1232 HydrophobicContact CD1-CE1 4.13Å; L1230-F1232 HydrophobicContact CD1-CZ 4.29Å; L1230-F1232 HydrophobicContact CG-CE1 4.42Å; L1230-S1265 PolarHBondContact O-N 3.25Å; L1230-A1266 WeakPolarHBondContact O-CB 3.48Å; L1230-A1266 PolarHBondContact O-N 3.32Å; L1230-L1298 HydrophobicContact CD1-CB 4.32Å; L1230-L1298 HydrophobicContact CD1-CD2 3.71Å; L1230-L1298 HydrophobicContact CD1-CG 4.5Å; L1230-V1307 HydrophobicContact CD1-CG1 4.45Å; L1230-V1307 HydrophobicContact CD1-CG2 4.45Å; L1230-V1307 HydrophobicContact CD2-CB 4.24Å; L1230-V1307 HydrophobicContact CD2-CG2 4.21Å
1231G94.4Very high86.7Confident6 Ų657.2 Ų57.26%0.06231%0.313CS..  trans73.436.9175.500000115.7L1261G1231-L1261 PolarHBondContact O-N 2.89Å
1232F95.1Very high84.1Confident29 Ų2961.6 Ų61.613%0.12734%0.344CS..EExtended strand (participates in β ladder)trans-149.3164.3169.462.3-94.8000112.6L1223 L1230 L1234 V1257 N1259 I1260 A1266 L1272 L1298 L1309L1223-F1232 HydrophobicContact CD1-CD1 4.22Å; L1223-F1232 HydrophobicContact CD1-CE1 3.92Å; L1230-F1232 HydrophobicContact CB-CD1 3.97Å; L1230-F1232 HydrophobicContact CB-CE1 3.62Å; L1230-F1232 HydrophobicContact CB-CZ 4.42Å; L1230-F1232 HydrophobicContact CD1-CE1 4.13Å; L1230-F1232 HydrophobicContact CD1-CZ 4.29Å; L1230-F1232 HydrophobicContact CG-CE1 4.42Å; F1232-L1234 HydrophobicContact CD2-CD2 3.8Å; F1232-L1234 HydrophobicContact CD2-CG 4.15Å; F1232-L1234 HydrophobicContact CE2-CD1 4.28Å; F1232-L1234 HydrophobicContact CE2-CD2 3.74Å; F1232-L1234 HydrophobicContact CE2-CG 4.03Å; F1232-V1257 HydrophobicContact CB-CG1 4.34Å; F1232-N1259 CarbonylContact C-O 3.52Å; F1232-N1259 WeakPolarHBondContact CA-O 3.25Å; F1232-I1260 HydrophobicContact CB-CD1 4.24Å; F1232-A1266 HydrophobicContact CB-CB 4.45Å; F1232-A1266 HydrophobicContact CD1-CB 4.02Å; F1232-L1272 HydrophobicContact CB-CD2 4.09Å; F1232-L1272 HydrophobicContact CD1-CD2 3.51Å; F1232-L1272 HydrophobicContact CD2-CD2 4.46Å; F1232-L1272 HydrophobicContact CE1-CD2 3.94Å; F1232-L1272 HydrophobicContact CG-CD2 3.79Å; F1232-L1298 HydrophobicContact CE2-CD1 3.99Å; F1232-L1298 HydrophobicContact CZ-CD1 3.88Å; F1232-L1309 HydrophobicContact CE1-CD1 3.81Å; F1232-L1309 HydrophobicContact CZ-CD1 3.86Å
1233S93.9Very high81.8Confident31 Ų3165.6 Ų65.622%0.21736%0.361CS..EExtended strand (participates in β ladder)trans-123.2150.9176.560.40000110.6K1258 N1259S1233-K1258 PolarHBondContact O-N 2.81Å; S1233-N1259 PolarHBondContact N-O 3.02Å; S1233-N1259 VanDerWaalsContact OG-CB 3.3Å; S1233-N1259 WeakPolarHBondContact OG-CB 3.41Å; S1233-N1259 PolarHBondContact OG-N 3.42Å; S1233-N1259 VanDerWaalsContact OG-N 3.11Å; S1233-N1259 PolarHBondContact OG-ND2 3.05Å; S1233-N1259 PolarHBondContact OG-O 3.37Å; S1233-N1259 VanDerWaalsContact OG-O 3.07Å
1234L94.9Very high79.1Confident17 Ų1768.1 Ų68.19%0.08938%0.379CS..EExtended strand (participates in β ladder)trans-116157.1-173.6-64179.6000112.3F1232 V1255 Y1256 V1257 L1278 Q1291 I1294 V1295 L1298F1232-L1234 HydrophobicContact CD2-CD2 3.8Å; F1232-L1234 HydrophobicContact CD2-CG 4.15Å; F1232-L1234 HydrophobicContact CE2-CD1 4.28Å; F1232-L1234 HydrophobicContact CE2-CD2 3.74Å; F1232-L1234 HydrophobicContact CE2-CG 4.03Å; L1234-V1255 HydrophobicContact CB-CG1 3.87Å; L1234-V1255 HydrophobicContact CD1-CG1 3.91Å; L1234-V1255 HydrophobicContact CD2-CG1 4.21Å; L1234-V1255 HydrophobicContact CG-CG1 4.21Å; L1234-Y1256 CarbonylContact C-O 3.27Å; L1234-Y1256 VanDerWaalsContact CA-O 3.31Å; L1234-Y1256 WeakPolarHBondContact CA-O 3.27Å; L1234-V1257 HydrophobicContact CD2-CG2 4.26Å; L1234-L1278 HydrophobicContact CD1-CD1 3.74Å; L1234-L1278 HydrophobicContact CD2-CD1 3.6Å; L1234-L1278 HydrophobicContact CG-CD1 4.34Å; L1234-Q1291 HydrophobicContact CB-CG 4.41Å; L1234-Q1291 PolarHBondContact O-NE2 2.9Å; L1234-I1294 HydrophobicContact CD1-CG2 3.71Å; L1234-V1295 HydrophobicContact CD1-CG2 4.21Å; L1234-L1298 HydrophobicContact CD1-CD1 4.2Å
1235T92.4Very high76.6Confident36 Ų3667.8 Ų67.822%0.22139%0.39CS..EExtended strand (participates in β ladder)trans-140.1136.7168-166.30000110.1V1255 Y1256 K1258T1235-V1255 WeakPolarHBondContact O-CA 3.4Å; T1235-Y1256 PolarHBondContact N-O 3.23Å; T1235-Y1256 PolarHBondContact O-N 3.39Å; T1235-K1258 HydrophobicContact CG2-CB 3.97Å; T1235-K1258 HydrophobicContact CG2-CG 4.11Å
1236T91.1Very high74.1Confident43 Ų4371.8 Ų71.826%0.26442%0.417SS..EExtended strand (participates in β ladder)trans-71.5143161-70.30000110.1F1253 A1254 Q1291T1236-F1253 HydrophobicContact CG2-CB 3.84Å; T1236-F1253 HydrophobicContact CG2-CD1 3.43Å; T1236-F1253 VanDerWaalsContact CG2-CD1 3.43Å; T1236-F1253 HydrophobicContact CG2-CE1 4.33Å; T1236-F1253 HydrophobicContact CG2-CG 3.98Å; T1236-A1254 CarbonylContact C-O 3.18Å; T1236-A1254 WeakPolarHBondContact CA-O 3.44Å; T1236-Q1291 WeakPolarHBondContact OG1-CB 3.27Å
1237K85.7Confident71.4Confident107 Ų10775.5 Ų75.547%0.46544%0.438SS..EExtended strand (participates in β ladder)trans-123.2144.9154.4-57.7-179.1-178.3177.30107.7A1254 Y1256K1237-A1254 PolarHBondContact N-O 2.83Å; K1237-A1254 PolarHBondContact O-N 2.84Å; K1237-A1254 VanDerWaalsContact O-O 3.13Å; K1237-Y1256 HydrophobicContact CB-CD2 4.03Å; K1237-Y1256 HydrophobicContact CB-CE2 3.8Å; K1237-Y1256 HydrophobicContact CD-CD2 3.85Å; K1237-Y1256 HydrophobicContact CD-CE2 3.82Å; K1237-Y1256 HydrophobicContact CD-CG 4.41Å; K1237-Y1256 HydrophobicContact CG-CD2 3.79Å; K1237-Y1256 HydrophobicContact CG-CE2 3.96Å
1238L75.9Confident69.2Low111 Ų11174.3 Ų74.358%0.58142%0.422SS*.EExtended strand (participates in β ladder)trans-70.3136.8165.9-77.4158.9000108.6P1240 F1253L1238-P1240 WeakPolarHBondContact O-CD 3.42Å; L1238-F1253 HydrophobicContact CD2-CD1 3.79Å; L1238-F1253 HydrophobicContact CD2-CE1 3.46Å; L1238-F1253 VanDerWaalsContact CD2-CE1 3.46Å; L1238-F1253 HydrophobicContact CD2-CZ 4.29Å; L1238-F1253 HydrophobicContact CG-CD1 4.31Å; L1238-F1253 HydrophobicContact CG-CE1 4.12Å
1239I68.9Low67Low51 Ų5175.2 Ų75.226%0.26242%0.421SS..PPolyproline II helixtrans-88.7120166.2-48.2172000107.4L1252 A1254I1239-L1252 HydrophobicContact CD1-CB 4.1Å; I1239-L1252 WeakPolarHBondContact CG1-O 3.26Å; I1239-L1252 PolarHBondContact N-O 2.96Å; I1239-L1252 VanDerWaalsContact N-O 3.12Å; I1239-A1254 HydrophobicContact CD1-CB 3.84Å; I1239-A1254 HydrophobicContact CG1-CB 3.69Å
1240P50.6Low64.9Low96 Ų9681 Ų8162%0.62344%0.443SS*.PPolyproline II helixtrans-58.7145.1168.6-23.535.2000110.8L1238 S1242L1238-P1240 WeakPolarHBondContact O-CD 3.42Å; P1240-S1242 PolarHBondContact O-N 2.76Å
1241K45.6Very low63Low150 Ų15083.9 Ų83.965%0.65247%0.465SS*.THydrogen-bonded Turntrans-79.846.8-160.8-154.7-178.5-176.7-174.40114.6N1249K1241-N1249 PolarHBondContact NZ-OD1 3.33Å
1242S42.2Very low61.6Low95 Ų9586.8 Ų86.866%0.66448%0.478SS*.THydrogen-bonded Turntrans-115.7-6.3-171.957.80000115.9P1240P1240-S1242 PolarHBondContact O-N 2.76Å
1243I47.8Very low60.9Low151 Ų15189.6 Ų89.677%0.77449%0.491SS*.SBendtrans-134.346.7-177.2-36.2-179.1000112.4
1244S40.8Very low60.6Low54 Ų5488.2 Ų88.238%0.37848%0.481SS..  trans-159.6100.7166.958.90000111.8T1246S1244-T1246 PolarHBondContact O-N 3.25Å
1245N41.6Very low60.5Low170 Ų17087.6 Ų87.691%0.90948%0.478SS*.  trans-77.970.4173.2-70.90.9000110.1
1246T40.3Very low60.6Low106 Ų10688 Ų8865%0.6548%0.476SS*.  trans-148.7131.6177.8-43.80000110.6S1244 I1248S1244-T1246 PolarHBondContact O-N 3.25Å; T1246-I1248 HydrophobicContact CG2-CD1 4.43Å; T1246-I1248 PolarHBondContact O-N 3.06Å; T1246-I1248 VanDerWaalsContact O-N 3.17Å
1247T35.8Very low60.8Low110 Ų11086 Ų8668%0.67546%0.464SS*.  trans-85.379.9-166.726.90000113.7
1248I43.6Very low61.1Low90 Ų9083.6 Ų83.646%0.46245%0.454SS..  trans-139132153.3-52.984.9000109T1246 E1250T1246-I1248 HydrophobicContact CG2-CD1 4.43Å; T1246-I1248 PolarHBondContact O-N 3.06Å; T1246-I1248 VanDerWaalsContact O-N 3.17Å; I1248-E1250 HydrophobicContact CG2-CB 4.38Å; I1248-E1250 HydrophobicContact CG2-CG 4.07Å; I1248-E1250 PolarHBondContact O-N 2.73Å
1249N39.8Very low61.9Low90 Ų9080 Ų8048%0.48144%0.435SS..  trans-79.648175.1-73.9-36.8000114.2D619 K1241D619-N1249 VanDerWaalsContact OD1-CB 3.27Å; D619-N1249 WeakPolarHBondContact OD1-CB 3.41Å; D619-N1249 PolarHBondContact OD1-N 3.08Å; D619-N1249 PolarHBondContact OD1-ND2 3.46Å; D619-N1249 PolarHBondContact OD2-ND2 3.04Å; K1241-N1249 PolarHBondContact NZ-OD1 3.33Å
1250E48.4Very low63Low142 Ų14277.9 Ų77.966%0.66442%0.424SS*.SBendtrans-105.3137.8167.4-72-167.9150.700111.3I1248 L1252I1248-E1250 HydrophobicContact CG2-CB 4.38Å; I1248-E1250 HydrophobicContact CG2-CG 4.07Å; I1248-E1250 PolarHBondContact O-N 2.73Å; E1250-L1252 PolarHBondContact O-N 2.8Å
1251S54.1Low65Low77 Ų7776.7 Ų76.754%0.53841%0.412SS..  trans-71.298.7176.7-56.50000110.2F1253S1251-F1253 VanDerWaalsContact O-CD2 3.29Å; S1251-F1253 WeakPolarHBondContact O-CD2 3.35Å; S1251-F1253 WeakPolarHBondContact O-CE2 3.32Å; S1251-F1253 PolarHBondContact O-N 3.1Å
1252L65.9Low66.7Low67 Ų6770.3 Ų70.335%0.35139%0.386SS..  trans-58.8106.6-178.8-75.3171.7000111.2I1239 E1250I1239-L1252 HydrophobicContact CD1-CB 4.1Å; I1239-L1252 WeakPolarHBondContact CG1-O 3.26Å; I1239-L1252 PolarHBondContact N-O 2.96Å; I1239-L1252 VanDerWaalsContact N-O 3.12Å; E1250-L1252 PolarHBondContact O-N 2.8Å
1253F79.6Confident68.7Low87 Ų8769.1 Ų69.138%0.38237%0.372SS..EExtended strand (participates in β ladder)trans-79.5119.2173.1-62.1-67.5000109.5T1236 L1238 S1251T1236-F1253 HydrophobicContact CG2-CB 3.84Å; T1236-F1253 HydrophobicContact CG2-CD1 3.43Å; T1236-F1253 VanDerWaalsContact CG2-CD1 3.43Å; T1236-F1253 HydrophobicContact CG2-CE1 4.33Å; T1236-F1253 HydrophobicContact CG2-CG 3.98Å; L1238-F1253 HydrophobicContact CD2-CD1 3.79Å; L1238-F1253 HydrophobicContact CD2-CE1 3.46Å; L1238-F1253 VanDerWaalsContact CD2-CE1 3.46Å; L1238-F1253 HydrophobicContact CD2-CZ 4.29Å; L1238-F1253 HydrophobicContact CG-CD1 4.31Å; L1238-F1253 HydrophobicContact CG-CE1 4.12Å; S1251-F1253 VanDerWaalsContact O-CD2 3.29Å; S1251-F1253 WeakPolarHBondContact O-CD2 3.35Å; S1251-F1253 WeakPolarHBondContact O-CE2 3.32Å; S1251-F1253 PolarHBondContact O-N 3.1Å
1254A87.4Confident70.7Confident3 Ų362 Ų623%0.02534%0.335CS..EExtended strand (participates in β ladder)trans-94.7138.9165.500000109.4T1236 K1237 I1239 Y1256 R1277T1236-A1254 CarbonylContact C-O 3.18Å; T1236-A1254 WeakPolarHBondContact CA-O 3.44Å; K1237-A1254 PolarHBondContact N-O 2.83Å; K1237-A1254 PolarHBondContact O-N 2.84Å; K1237-A1254 VanDerWaalsContact O-O 3.13Å; I1239-A1254 HydrophobicContact CD1-CB 3.84Å; I1239-A1254 HydrophobicContact CG1-CB 3.69Å; A1254-Y1256 HydrophobicContact CB-CD2 4.21Å; A1254-Y1256 HydrophobicContact CB-CE2 3.41Å; A1254-Y1256 VanDerWaalsContact CB-CE2 3.41Å; A1254-R1277 HydrophobicContact CB-CG 4.4Å
1255V92.9Very high73.1Confident4 Ų460 Ų602%0.02432%0.322CS..EExtended strand (participates in β ladder)trans-110.1126.7177.9-1800000109.6L1234 T1235 L1278 Q1291 I1294L1234-V1255 HydrophobicContact CB-CG1 3.87Å; L1234-V1255 HydrophobicContact CD1-CG1 3.91Å; L1234-V1255 HydrophobicContact CD2-CG1 4.21Å; L1234-V1255 HydrophobicContact CG-CG1 4.21Å; T1235-V1255 WeakPolarHBondContact O-CA 3.4Å; V1255-L1278 HydrophobicContact CG1-CD1 4.42Å; V1255-L1278 PolarHBondContact O-N 3.07Å; V1255-Q1291 HydrophobicContact CG2-CB 4.25Å; V1255-I1294 HydrophobicContact CB-CD1 3.95Å; V1255-I1294 HydrophobicContact CG1-CD1 4.38Å; V1255-I1294 HydrophobicContact CG2-CD1 3.62Å
1256Y94.7Very high75.7Confident43 Ų4351.9 Ų51.917%0.16928%0.278CS..EExtended strand (participates in β ladder)trans-118.2152.4-173.9-66.1-98000110.8L1234 T1235 K1237 A1254 K1258 G1275 D1276 R1277L1234-Y1256 CarbonylContact C-O 3.27Å; L1234-Y1256 VanDerWaalsContact CA-O 3.31Å; L1234-Y1256 WeakPolarHBondContact CA-O 3.27Å; T1235-Y1256 PolarHBondContact N-O 3.23Å; T1235-Y1256 PolarHBondContact O-N 3.39Å; K1237-Y1256 HydrophobicContact CB-CD2 4.03Å; K1237-Y1256 HydrophobicContact CB-CE2 3.8Å; K1237-Y1256 HydrophobicContact CD-CD2 3.85Å; K1237-Y1256 HydrophobicContact CD-CE2 3.82Å; K1237-Y1256 HydrophobicContact CD-CG 4.41Å; K1237-Y1256 HydrophobicContact CG-CD2 3.79Å; K1237-Y1256 HydrophobicContact CG-CE2 3.96Å; A1254-Y1256 HydrophobicContact CB-CD2 4.21Å; A1254-Y1256 HydrophobicContact CB-CE2 3.41Å; A1254-Y1256 VanDerWaalsContact CB-CE2 3.41Å; Y1256-K1258 PolarHBondContact O-N 3.16Å; Y1256-G1275 WeakPolarHBondContact CD1-O 3.32Å; Y1256-D1276 CarbonylContact C-O 3.16Å; Y1256-D1276 VanDerWaalsContact CA-O 3.3Å; Y1256-D1276 WeakPolarHBondContact CA-O 3.44Å; Y1256-R1277 HydrophobicContact CD1-CB 3.83Å; Y1256-R1277 HydrophobicContact CD1-CG 4.48Å; Y1256-R1277 HydrophobicContact CE1-CB 3.66Å; Y1256-R1277 HydrophobicContact CE1-CG 4.15Å
1257V95.1Very high78.1Confident3 Ų348.8 Ų48.82%0.01826%0.258CS..EExtended strand (participates in β ladder)trans-70.4114.8167.9-179.90000109.2F1232 L1234 I1260 L1272 R1273 G1275 D1276F1232-V1257 HydrophobicContact CB-CG1 4.34Å; L1234-V1257 HydrophobicContact CD2-CG2 4.26Å; V1257-I1260 HydrophobicContact CG1-CD1 3.77Å; V1257-L1272 HydrophobicContact CG2-CD1 4.07Å; V1257-L1272 HydrophobicContact CG2-CD2 4.13Å; V1257-L1272 HydrophobicContact CG2-CG 4.16Å; V1257-R1273 VanDerWaalsContact CB-O 3.32Å; V1257-R1273 WeakPolarHBondContact CB-O 3.36Å; V1257-R1273 WeakPolarHBondContact CG1-O 3.46Å; V1257-G1275 PolarHBondContact O-N 3.31Å; V1257-D1276 HydrophobicContact CB-CB 4.42Å; V1257-D1276 HydrophobicContact CG2-CB 4.06Å; V1257-D1276 PolarHBondContact N-O 2.8Å
1258K93Very high80.7Confident56 Ų5649.8 Ų49.824%0.24325%0.252CS..EExtended strand (participates in β ladder)trans-86.4-41.7-177.6-165.3-172.6-171.7176.50112.5D125 G126 S1233 T1235 Y1256 V1274D125-K1258 PolarHBondContact O-NZ 2.82Å; G126-K1258 PolarHBondContact O-NZ 2.8Å; S1233-K1258 PolarHBondContact O-N 2.81Å; T1235-K1258 HydrophobicContact CG2-CB 3.97Å; T1235-K1258 HydrophobicContact CG2-CG 4.11Å; Y1256-K1258 PolarHBondContact O-N 3.16Å; K1258-V1274 WeakPolarHBondContact O-CG1 3.5Å
1259N91.3Very high83Confident35 Ų3548 Ų4819%0.18724%0.244CC..EExtended strand (participates in β ladder)trans-149.2139.8173.6-44.7-100.6000108.2F1232 S1233F1232-N1259 CarbonylContact C-O 3.52Å; F1232-N1259 WeakPolarHBondContact CA-O 3.25Å; S1233-N1259 PolarHBondContact N-O 3.02Å; S1233-N1259 VanDerWaalsContact OG-CB 3.3Å; S1233-N1259 WeakPolarHBondContact OG-CB 3.41Å; S1233-N1259 PolarHBondContact OG-N 3.42Å; S1233-N1259 VanDerWaalsContact OG-N 3.11Å; S1233-N1259 PolarHBondContact OG-ND2 3.05Å; S1233-N1259 PolarHBondContact OG-O 3.37Å; S1233-N1259 VanDerWaalsContact OG-O 3.07Å
1260I93.7Very high85.5Confident7 Ų746 Ų464%0.03625%0.245CC..EExtended strand (participates in β ladder)trans-71.7138.6155.4-55.5-57.8000107.4F1232 V1257 A1266 I1267 L1272 V1274 I1530F1232-I1260 HydrophobicContact CB-CD1 4.24Å; V1257-I1260 HydrophobicContact CG1-CD1 3.77Å; I1260-A1266 HydrophobicContact CD1-CB 4.23Å; I1260-A1266 HydrophobicContact CG2-CB 4.28Å; I1260-I1267 HydrophobicContact CG2-CB 3.76Å; I1260-I1267 HydrophobicContact CG2-CD1 4.48Å; I1260-I1267 HydrophobicContact CG2-CG1 4.09Å; I1260-L1272 HydrophobicContact CD1-CB 4.11Å; I1260-L1272 HydrophobicContact CD1-CD2 3.87Å; I1260-L1272 HydrophobicContact CD1-CG 3.9Å; I1260-L1272 WeakPolarHBondContact CD1-O 3.31Å; I1260-V1274 HydrophobicContact CG1-CG2 4.39Å; I1260-I1530 HydrophobicContact CB-CG2 4.44Å
1261L90.8Very high87.6Confident71 Ų7144 Ų4437%0.37224%0.236SC..PPolyproline II helixtrans-101118.6175.2-60.6176.1000108.1G1231G1231-L1261 PolarHBondContact O-N 2.89Å
1262P81.9Confident89.6Confident15 Ų1540.6 Ų40.610%0.09721%0.211CC..THydrogen-bonded Turntrans-58.4165.2176.121.5-32.6000113G1264 I1267P1262-G1264 PolarHBondContact O-N 3.15Å; P1262-I1267 HydrophobicContact CB-CD1 3.85Å
1263D85.2Confident90.8Very high70 Ų7044.7 Ų44.737%0.37422%0.222SC..THydrogen-bonded Turntrans67.4-23.3-173.4-35.8-43.1000115.5K1268 R1465D1263-K1268 WeakPolarHBondContact O-CE 3.46Å; D1263-K1268 PolarHBondContact O-NZ 3.49Å; D1263-K1268 VanDerWaalsContact O-NZ 3.09Å; D1263-R1465 IonicContact OD1-CZ 3.54Å; D1263-R1465 IonicContact OD1-NH2 3.22Å; D1263-R1465 PolarHBondContact OD1-NH2 3.04Å; D1263-R1465 IonicContact OD2-CZ 2.73Å; D1263-R1465 VanDerWaalsContact OD2-CZ 3.25Å; D1263-R1465 IonicContact OD2-NH1 3.44Å; D1263-R1465 PolarHBondContact OD2-NH1 3.05Å; D1263-R1465 IonicContact OD2-NH2 3.31Å; D1263-R1465 PolarHBondContact OD2-NH2 3.34Å
1264G88.4Confident91.4Very high1 Ų142 Ų421%0.0121%0.213CC..SBendtrans-86.6174.3179.500000115.3P1262 A1266 I1267 K1268P1262-G1264 PolarHBondContact O-N 3.15Å; G1264-A1266 PolarHBondContact O-N 2.92Å; G1264-I1267 WeakPolarHBondContact O-CG2 3.45Å; G1264-I1267 PolarHBondContact O-N 3.19Å; G1264-K1268 PolarHBondContact O-N 3.31Å
1265S92.6Very high91.6Very high12 Ų1243.2 Ų43.28%0.08423%0.225CC..Hα-helixtrans-58.4-39.6-168.9-52.70000115.4R1224 S1226 G1229 L1230 I1267 K1268 D1269R1224-S1265 VanDerWaalsContact O-CB 3.24Å; R1224-S1265 WeakPolarHBondContact O-CB 3.37Å; R1224-S1265 PolarHBondContact O-OG 3.05Å; S1226-S1265 WeakPolarHBondContact CB-OG 3.21Å; S1226-S1265 PolarHBondContact N-OG 2.86Å; S1226-S1265 VanDerWaalsContact N-OG 3.11Å; S1226-S1265 PolarHBondContact OG-OG 3.37Å; G1229-S1265 PolarHBondContact O-OG 2.88Å; L1230-S1265 PolarHBondContact O-N 3.25Å; S1265-I1267 PolarHBondContact O-N 3.24Å; S1265-K1268 PolarHBondContact O-N 3.35Å; S1265-D1269 WeakPolarHBondContact O-CB 3.28Å; S1265-D1269 PolarHBondContact O-N 3.03Å
1266A94.4Very high91.7Very high0 Ų043.1 Ų43.10%023%0.225CC..Hα-helixtrans-68.2-32.9-176.400000113.9L1223 L1230 F1232 I1260 G1264 G1270 L1272L1223-A1266 HydrophobicContact CD1-CB 3.81Å; L1230-A1266 WeakPolarHBondContact O-CB 3.48Å; L1230-A1266 PolarHBondContact O-N 3.32Å; F1232-A1266 HydrophobicContact CB-CB 4.45Å; F1232-A1266 HydrophobicContact CD1-CB 4.02Å; I1260-A1266 HydrophobicContact CD1-CB 4.23Å; I1260-A1266 HydrophobicContact CG2-CB 4.28Å; G1264-A1266 PolarHBondContact O-N 2.92Å; A1266-G1270 PolarHBondContact O-N 3.39Å; A1266-L1272 HydrophobicContact CB-CB 4.28Å; A1266-L1272 HydrophobicContact CB-CD2 3.85Å
1267I90.8Very high91.7Very high42 Ų4242.8 Ų42.822%0.21522%0.223CC..Hα-helixtrans-73.7-33.3173.3-150.1167.9000111.4I1260 P1262 G1264 S1265 D1269 G1270 I1530I1260-I1267 HydrophobicContact CG2-CB 3.76Å; I1260-I1267 HydrophobicContact CG2-CD1 4.48Å; I1260-I1267 HydrophobicContact CG2-CG1 4.09Å; P1262-I1267 HydrophobicContact CB-CD1 3.85Å; G1264-I1267 WeakPolarHBondContact O-CG2 3.45Å; G1264-I1267 PolarHBondContact O-N 3.19Å; S1265-I1267 PolarHBondContact O-N 3.24Å; I1267-D1269 VanDerWaalsContact C-N 3.3Å; I1267-D1269 PolarHBondContact O-N 3.18Å; I1267-G1270 PolarHBondContact O-N 2.99Å; I1267-I1530 HydrophobicContact CD1-CG2 4.37Å
1268K90.2Very high91.7Very high130 Ų13042.9 Ų42.957%0.56522%0.223SC*.Hα-helixtrans-76.2-16.7-179.5-72.5176.3168.8169.20113.3D1263 G1264 S1265 D1505D1263-K1268 WeakPolarHBondContact O-CE 3.46Å; D1263-K1268 PolarHBondContact O-NZ 3.49Å; D1263-K1268 VanDerWaalsContact O-NZ 3.09Å; G1264-K1268 PolarHBondContact O-N 3.31Å; S1265-K1268 PolarHBondContact O-N 3.35Å; K1268-D1505 IonicContact NZ-OD2 3.11Å; K1268-D1505 PolarHBondContact NZ-OD2 3.42Å
1269D92.9Very high91.8Very high53 Ų5340.9 Ų40.928%0.28322%0.215SC..Hα-helixtrans-95.3-33.9168.8168.785.1000112.5L1223 S1265 I1267 Q1271L1223-D1269 HydrophobicContact CD2-CB 3.45Å; L1223-D1269 VanDerWaalsContact CD2-CB 3.45Å; L1223-D1269 WeakPolarHBondContact CD2-OD2 3.3Å; S1265-D1269 WeakPolarHBondContact O-CB 3.28Å; S1265-D1269 PolarHBondContact O-N 3.03Å; I1267-D1269 VanDerWaalsContact C-N 3.3Å; I1267-D1269 PolarHBondContact O-N 3.18Å; D1269-Q1271 PolarHBondContact O-N 2.85Å; D1269-Q1271 PolarHBondContact OD1-NE2 2.82Å; D1269-Q1271 WeakPolarHBondContact OD2-CB 3.48Å; D1269-Q1271 VanDerWaalsContact OD2-CG 3.3Å; D1269-Q1271 WeakPolarHBondContact OD2-CG 3.34Å; D1269-Q1271 PolarHBondContact OD2-N 2.91Å; D1269-Q1271 VanDerWaalsContact OD2-N 3.11Å; D1269-Q1271 PolarHBondContact OD2-NE2 3.47Å
1270G92.1Very high92Very high49 Ų4942.1 Ų42.151%0.50522%0.22SC..  trans72.3-9.5173.400000116.1A1266 I1267A1266-G1270 PolarHBondContact O-N 3.39Å; I1267-G1270 PolarHBondContact O-N 2.99Å
1271Q93.6Very high92.1Very high100 Ų10041.9 Ų41.947%0.46722%0.219SC..  trans-77.7-31.9-177-54.3-178.676.800112.4I1221 D1269 R1313I1221-Q1271 HydrophobicContact CD1-CB 4.23Å; I1221-Q1271 HydrophobicContact CG1-CB 4.21Å; I1221-Q1271 HydrophobicContact CG2-CB 4.11Å; D1269-Q1271 PolarHBondContact O-N 2.85Å; D1269-Q1271 PolarHBondContact OD1-NE2 2.82Å; D1269-Q1271 WeakPolarHBondContact OD2-CB 3.48Å; D1269-Q1271 VanDerWaalsContact OD2-CG 3.3Å; D1269-Q1271 WeakPolarHBondContact OD2-CG 3.34Å; D1269-Q1271 PolarHBondContact OD2-N 2.91Å; D1269-Q1271 VanDerWaalsContact OD2-N 3.11Å; D1269-Q1271 PolarHBondContact OD2-NE2 3.47Å; Q1271-R1313 PolarHBondContact O-NH2 2.81Å
1272L95.1Very high92.2Very high5 Ų540.4 Ų40.43%0.02621%0.211CC..  trans-78.4131.5178.9-167.673.3000110.7I1221 L1223 F1232 V1257 I1260 A1266 D1276 L1309 V1311I1221-L1272 HydrophobicContact CD1-CB 4.14Å; I1221-L1272 HydrophobicContact CD1-CD1 3.77Å; I1221-L1272 HydrophobicContact CG2-CB 4.45Å; L1223-L1272 HydrophobicContact CD1-CD2 4.24Å; F1232-L1272 HydrophobicContact CB-CD2 4.09Å; F1232-L1272 HydrophobicContact CD1-CD2 3.51Å; F1232-L1272 HydrophobicContact CD2-CD2 4.46Å; F1232-L1272 HydrophobicContact CE1-CD2 3.94Å; F1232-L1272 HydrophobicContact CG-CD2 3.79Å; V1257-L1272 HydrophobicContact CG2-CD1 4.07Å; V1257-L1272 HydrophobicContact CG2-CD2 4.13Å; V1257-L1272 HydrophobicContact CG2-CG 4.16Å; I1260-L1272 HydrophobicContact CD1-CB 4.11Å; I1260-L1272 HydrophobicContact CD1-CD2 3.87Å; I1260-L1272 HydrophobicContact CD1-CG 3.9Å; I1260-L1272 WeakPolarHBondContact CD1-O 3.31Å; A1266-L1272 HydrophobicContact CB-CB 4.28Å; A1266-L1272 HydrophobicContact CB-CD2 3.85Å; L1272-D1276 HydrophobicContact CD1-CB 4.39Å; L1272-L1309 HydrophobicContact CD2-CD1 4.48Å; L1272-V1311 HydrophobicContact CD1-CG1 3.88Å
1273R91.6Very high92.7Very high152 Ų15245.7 Ų45.757%0.57424%0.239SC*.  trans-120.1159-177.7-65.1-173.5-178.6-178.2-2.9111.8V1257 D1276V1257-R1273 VanDerWaalsContact CB-O 3.32Å; V1257-R1273 WeakPolarHBondContact CB-O 3.36Å; V1257-R1273 WeakPolarHBondContact CG1-O 3.46Å; R1273-D1276 PolarHBondContact N-OD2 2.96Å; R1273-D1276 WeakPolarHBondContact O-CB 3.32Å; R1273-D1276 PolarHBondContact O-N 2.84Å
1274V92.2Very high93Very high32 Ų3246 Ų4619%0.19424%0.24CC..THydrogen-bonded Turntrans-60.4145160.8179.20000108.5K1258 I1260 D1276 I1530K1258-V1274 WeakPolarHBondContact O-CG1 3.5Å; I1260-V1274 HydrophobicContact CG1-CG2 4.39Å; V1274-D1276 VanDerWaalsContact C-N 3.28Å; V1274-D1276 PolarHBondContact O-N 2.8Å; V1274-I1530 HydrophobicContact CG2-CD1 3.74Å
1275G91.7Very high93.2Very high28 Ų2849.9 Ų49.929%0.28926%0.26SS..THydrogen-bonded Turntrans85.5-13.6-176.800000114.8Y1256 V1257 R1277Y1256-G1275 WeakPolarHBondContact CD1-O 3.32Å; V1257-G1275 PolarHBondContact O-N 3.31Å; G1275-R1277 PolarHBondContact O-N 2.86Å
1276D94.7Very high93.2Very high1 Ų149.5 Ų49.51%0.00526%0.257CS..PPolyproline II helixtrans-62.2127.5173-76.9-17.8000111.1Y1256 V1257 L1272 R1273 V1274 V1311 R1313Y1256-D1276 CarbonylContact C-O 3.16Å; Y1256-D1276 VanDerWaalsContact CA-O 3.3Å; Y1256-D1276 WeakPolarHBondContact CA-O 3.44Å; V1257-D1276 HydrophobicContact CB-CB 4.42Å; V1257-D1276 HydrophobicContact CG2-CB 4.06Å; V1257-D1276 PolarHBondContact N-O 2.8Å; L1272-D1276 HydrophobicContact CD1-CB 4.39Å; R1273-D1276 PolarHBondContact N-OD2 2.96Å; R1273-D1276 WeakPolarHBondContact O-CB 3.32Å; R1273-D1276 PolarHBondContact O-N 2.84Å; V1274-D1276 VanDerWaalsContact C-N 3.28Å; V1274-D1276 PolarHBondContact O-N 2.8Å; D1276-V1311 HydrophobicContact CB-CB 4.06Å; D1276-V1311 HydrophobicContact CB-CG1 4.29Å; D1276-V1311 HydrophobicContact CB-CG2 4.27Å; D1276-R1313 VanDerWaalsContact CG-NH2 3.31Å; D1276-R1313 IonicContact OD1-CZ 2.86Å; D1276-R1313 IonicContact OD1-NE 3.01Å; D1276-R1313 PolarHBondContact OD1-NE 3.34Å; D1276-R1313 IonicContact OD1-NH2 2.78Å; D1276-R1313 PolarHBondContact OD1-NH2 3.35Å; D1276-R1313 VanDerWaalsContact OD1-NH2 3.11Å; D1276-R1313 IonicContact OD2-CZ 2.73Å; D1276-R1313 IonicContact OD2-NE 3.78Å; D1276-R1313 IonicContact OD2-NH2 2.74Å; D1276-R1313 PolarHBondContact OD2-NH2 3.47Å
1277R94Very high92.9Very high37 Ų3753 Ų5314%0.1428%0.276CS..EExtended strand (participates in β ladder)trans-87126.8173.7179.4-179.8169-179-1.3109.9A1254 Y1256 G1275 I1279 V1311 R1312A1254-R1277 HydrophobicContact CB-CG 4.4Å; Y1256-R1277 HydrophobicContact CD1-CB 3.83Å; Y1256-R1277 HydrophobicContact CD1-CG 4.48Å; Y1256-R1277 HydrophobicContact CE1-CB 3.66Å; Y1256-R1277 HydrophobicContact CE1-CG 4.15Å; G1275-R1277 PolarHBondContact O-N 2.86Å; R1277-I1279 HydrophobicContact CG-CD1 4.06Å; R1277-V1311 CarbonylContact O-C 3.6Å; R1277-V1311 WeakPolarHBondContact O-CA 3.29Å; R1277-V1311 WeakPolarHBondContact O-CB 3.26Å; R1277-R1312 HydrophobicContact CB-CB 4.32Å; R1277-R1312 PolarHBondContact N-O 3.28Å; R1277-R1312 PolarHBondContact O-N 2.84Å
1278L95Very high92.6Very high4 Ų453 Ų532%0.02129%0.285CS..EExtended strand (participates in β ladder)trans-71.4130.6171.3-79.7167.3000110.9L1234 V1255 I1281 V1286 I1294 L1309 V1311L1234-L1278 HydrophobicContact CD1-CD1 3.74Å; L1234-L1278 HydrophobicContact CD2-CD1 3.6Å; L1234-L1278 HydrophobicContact CG-CD1 4.34Å; V1255-L1278 HydrophobicContact CG1-CD1 4.42Å; V1255-L1278 PolarHBondContact O-N 3.07Å; L1278-I1281 HydrophobicContact CD1-CD1 4.34Å; L1278-I1281 HydrophobicContact CD2-CD1 4.4Å; L1278-I1281 HydrophobicContact CD2-CG1 4.28Å; L1278-V1286 HydrophobicContact CB-CG2 4.02Å; L1278-I1294 HydrophobicContact CD1-CG2 4.09Å; L1278-L1309 HydrophobicContact CD2-CB 4.33Å; L1278-L1309 HydrophobicContact CD2-CD2 4.1Å; L1278-V1311 HydrophobicContact CD2-CG1 3.98Å
1279I94.8Very high92.6Very high15 Ų1549.8 Ų49.88%0.07727%0.271CS..EExtended strand (participates in β ladder)trans-113.9-46.3175.8-55.2-60.1000110.4R1277 D1285 V1286 I1287 L1310 R1312R1277-I1279 HydrophobicContact CG-CD1 4.06Å; I1279-D1285 VanDerWaalsContact O-OD1 3.12Å; I1279-V1286 WeakPolarHBondContact O-CG2 3.18Å; I1279-V1286 PolarHBondContact O-N 2.97Å; I1279-I1287 HydrophobicContact CD1-CD1 4.39Å; I1279-I1287 HydrophobicContact CG2-CD1 4.22Å; I1279-L1310 HydrophobicContact CB-CB 4.45Å; I1279-L1310 HydrophobicContact CB-CD2 4.29Å; I1279-L1310 HydrophobicContact CB-CG 4.34Å; I1279-L1310 WeakPolarHBondContact CB-O 3.27Å; I1279-L1310 HydrophobicContact CG2-CD2 3.99Å; I1279-L1310 PolarHBondContact N-O 3.19Å; I1279-R1312 HydrophobicContact CD1-CB 3.93Å; I1279-R1312 HydrophobicContact CG1-CB 3.8Å
1280Q95.5Very high92.5Very high61 Ų6149.3 Ų49.329%0.28527%0.272SS..EExtended strand (participates in β ladder)trans-143.2148.6-175.2-149.4178.717.600111.4N1283 L1284 L1309 L1310Q1280-N1283 VanDerWaalsContact NE2-C 3.33Å; Q1280-N1283 PolarHBondContact NE2-O 3.39Å; Q1280-L1284 CarbonylContact C-O 3.56Å; Q1280-L1284 WeakPolarHBondContact CA-O 3.1Å; Q1280-L1284 WeakPolarHBondContact CG-O 3.37Å; Q1280-L1309 WeakPolarHBondContact O-CA 3.41Å; Q1280-L1310 HydrophobicContact CB-CB 3.5Å; Q1280-L1310 VanDerWaalsContact CB-CB 3.5Å; Q1280-L1310 HydrophobicContact CB-CD2 4.16Å; Q1280-L1310 HydrophobicContact CB-CG 4.47Å; Q1280-L1310 PolarHBondContact N-O 2.79Å; Q1280-L1310 VanDerWaalsContact N-O 3.11Å; Q1280-L1310 PolarHBondContact O-N 2.94Å
1281I95.6Very high92.5Very high1 Ų148.9 Ų48.91%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-135.6113.9178.3-57-178.3000108.8L1278 N1283 L1284 V1286 I1294 I1297 L1298 V1307 N1308 L1309L1278-I1281 HydrophobicContact CD1-CD1 4.34Å; L1278-I1281 HydrophobicContact CD2-CD1 4.4Å; L1278-I1281 HydrophobicContact CD2-CG1 4.28Å; I1281-N1283 VanDerWaalsContact C-N 3.3Å; I1281-N1283 PolarHBondContact O-N 3.29Å; I1281-L1284 PolarHBondContact N-O 3.09Å; I1281-L1284 VanDerWaalsContact O-CB 3.26Å; I1281-L1284 WeakPolarHBondContact O-CB 3.44Å; I1281-L1284 PolarHBondContact O-N 2.87Å; I1281-V1286 HydrophobicContact CB-CG1 4.29Å; I1281-V1286 HydrophobicContact CD1-CG1 3.85Å; I1281-V1286 HydrophobicContact CD1-CG2 4.29Å; I1281-V1286 HydrophobicContact CG1-CG1 3.9Å; I1281-V1286 HydrophobicContact CG1-CG2 4.13Å; I1281-I1294 HydrophobicContact CD1-CG2 3.78Å; I1281-I1297 HydrophobicContact CG2-CG2 4.12Å; I1281-L1298 HydrophobicContact CD1-CD1 4.04Å; I1281-L1298 HydrophobicContact CD1-CD2 3.99Å; I1281-L1298 HydrophobicContact CD1-CG 3.94Å; I1281-L1298 HydrophobicContact CG2-CD2 3.64Å; I1281-L1298 HydrophobicContact CG2-CG 4.42Å; I1281-V1307 HydrophobicContact CG2-CG1 4.16Å; I1281-N1308 CarbonylContact C-O 3.55Å; I1281-N1308 WeakPolarHBondContact CA-O 3.43Å; I1281-L1309 HydrophobicContact CB-CD2 4.39Å; I1281-L1309 HydrophobicContact CD1-CD2 4.46Å; I1281-L1309 HydrophobicContact CG1-CD2 3.94Å; I1281-L1309 HydrophobicContact CG2-CD2 4.06Å
1282D94.3Very high92.4Very high41 Ų4147.7 Ų47.722%0.21926%0.264CS..THydrogen-bonded Turntrans47.152.8-175.6-66.6-40000112.6L1284 K1301 V1307 N1308D1282-L1284 PolarHBondContact O-N 3.48Å; D1282-L1284 VanDerWaalsContact O-N 3.09Å; D1282-K1301 VanDerWaalsContact CG-NZ 3.34Å; D1282-K1301 WeakPolarHBondContact OD2-CD 3.4Å; D1282-K1301 WeakPolarHBondContact OD2-CE 3.42Å; D1282-K1301 IonicContact OD2-NZ 3.99Å; D1282-K1301 PolarHBondContact OD2-NZ 2.89Å; D1282-V1307 WeakPolarHBondContact OD1-CA 3.45Å; D1282-N1308 PolarHBondContact N-O 3.42Å; D1282-N1308 PolarHBondContact OD1-N 3.1Å
1283N91Very high92.3Very high126 Ų12652.5 Ų52.567%0.67429%0.286SS*.THydrogen-bonded Turntrans64.5-2.5-175.8-55.8-8.7000115.9Q1280 I1281Q1280-N1283 VanDerWaalsContact NE2-C 3.33Å; Q1280-N1283 PolarHBondContact NE2-O 3.39Å; I1281-N1283 VanDerWaalsContact C-N 3.3Å; I1281-N1283 PolarHBondContact O-N 3.29Å
1284L92.9Very high92.4Very high76 Ų7645.2 Ų45.240%0.39826%0.259SS..EExtended strand (participates in β ladder)trans-84.5117.6172.3-176.164000110.5Q1280 I1281 D1282 I1297Q1280-L1284 CarbonylContact C-O 3.56Å; Q1280-L1284 WeakPolarHBondContact CA-O 3.1Å; Q1280-L1284 WeakPolarHBondContact CG-O 3.37Å; I1281-L1284 PolarHBondContact N-O 3.09Å; I1281-L1284 VanDerWaalsContact O-CB 3.26Å; I1281-L1284 WeakPolarHBondContact O-CB 3.44Å; I1281-L1284 PolarHBondContact O-N 2.87Å; D1282-L1284 PolarHBondContact O-N 3.48Å; D1282-L1284 VanDerWaalsContact O-N 3.09Å; L1284-I1297 HydrophobicContact CD2-CD1 3.77Å; L1284-I1297 HydrophobicContact CD2-CG1 4.37Å
1285D93Very high92.5Very high82 Ų8245.7 Ų45.744%0.43926%0.262SS..EExtended strand (participates in β ladder)trans-58.1138.3171.5-174.2-2.5000110.5I1279 I1287 K1289I1279-D1285 VanDerWaalsContact O-OD1 3.12Å; D1285-I1287 WeakPolarHBondContact OD1-CB 3.25Å; D1285-I1287 WeakPolarHBondContact OD1-CG1 3.39Å; D1285-I1287 PolarHBondContact OD1-N 2.89Å; D1285-K1289 PolarHBondContact O-NZ 2.82Å
1286V92Very high92.6Very high4 Ų446.5 Ų46.52%0.02427%0.266CS..  trans-121.45.5178-65.50000114.5L1278 I1279 I1281 G1288 K1289 I1294L1278-V1286 HydrophobicContact CB-CG2 4.02Å; I1279-V1286 WeakPolarHBondContact O-CG2 3.18Å; I1279-V1286 PolarHBondContact O-N 2.97Å; I1281-V1286 HydrophobicContact CB-CG1 4.29Å; I1281-V1286 HydrophobicContact CD1-CG1 3.85Å; I1281-V1286 HydrophobicContact CD1-CG2 4.29Å; I1281-V1286 HydrophobicContact CG1-CG1 3.9Å; I1281-V1286 HydrophobicContact CG1-CG2 4.13Å; V1286-G1288 PolarHBondContact O-N 3.14Å; V1286-K1289 HydrophobicContact CG1-CD 4.43Å; V1286-K1289 PolarHBondContact O-N 3.39Å; V1286-I1294 HydrophobicContact CB-CD1 3.91Å; V1286-I1294 HydrophobicContact CB-CG1 3.86Å; V1286-I1294 HydrophobicContact CG1-CG1 3.98Å; V1286-I1294 HydrophobicContact CG2-CD1 4.45Å
1287I88.1Confident92.5Very high75 Ų7548.3 Ų48.339%0.38528%0.275SS..THydrogen-bonded Turntrans-58.1137.5166.8-62.3176000109.3I1279 D1285 K1289I1279-I1287 HydrophobicContact CD1-CD1 4.39Å; I1279-I1287 HydrophobicContact CG2-CD1 4.22Å; D1285-I1287 WeakPolarHBondContact OD1-CB 3.25Å; D1285-I1287 WeakPolarHBondContact OD1-CG1 3.39Å; D1285-I1287 PolarHBondContact OD1-N 2.89Å; I1287-K1289 PolarHBondContact O-N 2.82Å
1288G84.6Confident92.6Very high40 Ų4047.1 Ų47.141%0.41227%0.272SS..THydrogen-bonded Turntrans73.1-13.1-178.500000115.4V1286V1286-G1288 PolarHBondContact O-N 3.14Å
1289K89.7Confident92.5Very high63 Ų6355 Ų5527%0.27430%0.301SS..  trans-75.9138.4175.3-70.6-179.9-178143.50110.7D1285 V1286 I1287 Q1293 I1294D1285-K1289 PolarHBondContact O-NZ 2.82Å; V1286-K1289 HydrophobicContact CG1-CD 4.43Å; V1286-K1289 PolarHBondContact O-N 3.39Å; I1287-K1289 PolarHBondContact O-N 2.82Å; K1289-Q1293 HydrophobicContact CB-CB 4.5Å; K1289-I1294 HydrophobicContact CB-CD1 4.09Å; K1289-I1294 HydrophobicContact CB-CG1 3.99Å; K1289-I1294 WeakPolarHBondContact O-CD1 3.19Å
1290S90.1Very high92.4Very high44 Ų4460.9 Ų60.931%0.30833%0.331SS..  trans-62.6149.9174.6650000111.4A1292 Q1293 I1294S1290-A1292 PolarHBondContact O-N 3.28Å; S1290-A1292 VanDerWaalsContact O-N 3.14Å; S1290-Q1293 PolarHBondContact O-N 3.41Å; S1290-Q1293 VanDerWaalsContact OG-CG 3.3Å; S1290-Q1293 WeakPolarHBondContact OG-CG 3.16Å; S1290-Q1293 PolarHBondContact OG-N 3.35Å; S1290-Q1293 PolarHBondContact OG-OE1 2.79Å; S1290-I1294 PolarHBondContact O-N 3.04Å; S1290-I1294 VanDerWaalsContact O-N 3.07Å
1291Q92.8Very high92.2Very high40 Ų4061 Ų6119%0.18733%0.331CS..Hα-helixtrans-53.1-36174.6174.8172.1-10.200112.2L1234 T1236 V1255 I1294 V1295L1234-Q1291 HydrophobicContact CB-CG 4.41Å; L1234-Q1291 PolarHBondContact O-NE2 2.9Å; T1236-Q1291 WeakPolarHBondContact OG1-CB 3.27Å; V1255-Q1291 HydrophobicContact CG2-CB 4.25Å; Q1291-I1294 PolarHBondContact O-N 3.14Å; Q1291-V1295 HydrophobicContact CG-CG2 4.21Å; Q1291-V1295 WeakPolarHBondContact O-CB 3.34Å; Q1291-V1295 VanDerWaalsContact O-CG2 3.26Å; Q1291-V1295 WeakPolarHBondContact O-CG2 3.18Å; Q1291-V1295 PolarHBondContact O-N 2.76Å
1292A91.4Very high92.1Very high74 Ų7465.1 Ų65.161%0.61236%0.358SS*.Hα-helixtrans-63.8-42.9177.200000112.9S1290 A1296S1290-A1292 PolarHBondContact O-N 3.28Å; S1290-A1292 VanDerWaalsContact O-N 3.14Å; A1292-A1296 WeakPolarHBondContact O-CB 3.2Å; A1292-A1296 PolarHBondContact O-N 2.89Å
1293Q93Very high92.1Very high106 Ų10668 Ų6850%0.49538%0.376SS..Hα-helixtrans-64.9-42.8175.2-72157.6-33.700111.4K1289 S1290 A1296 I1297K1289-Q1293 HydrophobicContact CB-CB 4.5Å; S1290-Q1293 PolarHBondContact O-N 3.41Å; S1290-Q1293 VanDerWaalsContact OG-CG 3.3Å; S1290-Q1293 WeakPolarHBondContact OG-CG 3.16Å; S1290-Q1293 PolarHBondContact OG-N 3.35Å; S1290-Q1293 PolarHBondContact OG-OE1 2.79Å; Q1293-A1296 WeakPolarHBondContact O-CB 3.43Å; Q1293-A1296 PolarHBondContact O-N 2.68Å; Q1293-I1297 WeakPolarHBondContact O-CD1 3.25Å; Q1293-I1297 VanDerWaalsContact O-CG1 3.32Å; Q1293-I1297 WeakPolarHBondContact O-CG1 3.47Å; Q1293-I1297 PolarHBondContact O-N 2.83Å
1294I94.3Very high92.1Very high0 Ų063.3 Ų63.30%036%0.358CS..Hα-helixtrans-63.2-46.3178.3-70.9163.3000111.3L1234 V1255 L1278 I1281 V1286 K1289 S1290 Q1291 A1296 I1297 L1298L1234-I1294 HydrophobicContact CD1-CG2 3.71Å; V1255-I1294 HydrophobicContact CB-CD1 3.95Å; V1255-I1294 HydrophobicContact CG1-CD1 4.38Å; V1255-I1294 HydrophobicContact CG2-CD1 3.62Å; L1278-I1294 HydrophobicContact CD1-CG2 4.09Å; I1281-I1294 HydrophobicContact CD1-CG2 3.78Å; V1286-I1294 HydrophobicContact CB-CD1 3.91Å; V1286-I1294 HydrophobicContact CB-CG1 3.86Å; V1286-I1294 HydrophobicContact CG1-CG1 3.98Å; V1286-I1294 HydrophobicContact CG2-CD1 4.45Å; K1289-I1294 HydrophobicContact CB-CD1 4.09Å; K1289-I1294 HydrophobicContact CB-CG1 3.99Å; K1289-I1294 WeakPolarHBondContact O-CD1 3.19Å; S1290-I1294 PolarHBondContact O-N 3.04Å; S1290-I1294 VanDerWaalsContact O-N 3.07Å; Q1291-I1294 PolarHBondContact O-N 3.14Å; I1294-A1296 VanDerWaalsContact C-N 3.31Å; I1294-A1296 PolarHBondContact O-N 2.84Å; I1294-I1297 PolarHBondContact O-N 2.85Å; I1294-L1298 HydrophobicContact CG2-CD1 4.22Å; I1294-L1298 WeakPolarHBondContact O-CG 3.44Å; I1294-L1298 PolarHBondContact O-N 2.85Å; I1294-L1298 VanDerWaalsContact O-N 3.08Å
1295V94.6Very high92.2Very high42 Ų4261 Ų6126%0.25535%0.348SS..Hα-helixtrans-63.1-37.4175.1169.60000111.1L1234 Q1291 L1298 R1299L1234-V1295 HydrophobicContact CD1-CG2 4.21Å; Q1291-V1295 HydrophobicContact CG-CG2 4.21Å; Q1291-V1295 WeakPolarHBondContact O-CB 3.34Å; Q1291-V1295 VanDerWaalsContact O-CG2 3.26Å; Q1291-V1295 WeakPolarHBondContact O-CG2 3.18Å; Q1291-V1295 PolarHBondContact O-N 2.76Å; V1295-L1298 PolarHBondContact O-N 3.48Å; V1295-R1299 HydrophobicContact CG1-CG 4.1Å; V1295-R1299 VanDerWaalsContact O-CB 3.27Å; V1295-R1299 WeakPolarHBondContact O-CB 3.09Å; V1295-R1299 VanDerWaalsContact O-CG 3.29Å; V1295-R1299 WeakPolarHBondContact O-CG 3.03Å; V1295-R1299 PolarHBondContact O-N 2.86Å
1296A93.2Very high92.3Very high45 Ų4562.1 Ų62.137%0.37235%0.353SS..Hα-helixtrans-62.6-46.6174.600000112.1A1292 Q1293 I1294 L1298 R1299 I1300A1292-A1296 WeakPolarHBondContact O-CB 3.2Å; A1292-A1296 PolarHBondContact O-N 2.89Å; Q1293-A1296 WeakPolarHBondContact O-CB 3.43Å; Q1293-A1296 PolarHBondContact O-N 2.68Å; I1294-A1296 VanDerWaalsContact C-N 3.31Å; I1294-A1296 PolarHBondContact O-N 2.84Å; A1296-L1298 VanDerWaalsContact C-N 3.34Å; A1296-L1298 PolarHBondContact O-N 2.93Å; A1296-R1299 PolarHBondContact O-N 2.73Å; A1296-I1300 WeakPolarHBondContact O-CD1 3.41Å; A1296-I1300 VanDerWaalsContact O-CG1 3.23Å; A1296-I1300 WeakPolarHBondContact O-CG1 3.46Å; A1296-I1300 PolarHBondContact O-N 3.14Å
1297I93.6Very high92.5Very high38 Ų3861.9 Ų61.920%0.19535%0.352CS..Hα-helixtrans-56.3-47.4176.4-67.6156.3000110.8I1281 L1284 Q1293 I1294 I1300I1281-I1297 HydrophobicContact CG2-CG2 4.12Å; L1284-I1297 HydrophobicContact CD2-CD1 3.77Å; L1284-I1297 HydrophobicContact CD2-CG1 4.37Å; Q1293-I1297 WeakPolarHBondContact O-CD1 3.25Å; Q1293-I1297 VanDerWaalsContact O-CG1 3.32Å; Q1293-I1297 WeakPolarHBondContact O-CG1 3.47Å; Q1293-I1297 PolarHBondContact O-N 2.83Å; I1294-I1297 PolarHBondContact O-N 2.85Å; I1297-I1300 PolarHBondContact O-N 3.05Å
1298L94.8Very high92.9Very high13 Ų1360.7 Ų60.77%0.06835%0.346CS..Hα-helixtrans-70-33.4178.4-68.1171.4000113.4K1225 L1230 F1232 L1234 I1281 I1294 V1295 A1296 V1307 L1309K1225-L1298 PolarHBondContact NZ-O 2.85Å; L1230-L1298 HydrophobicContact CD1-CB 4.32Å; L1230-L1298 HydrophobicContact CD1-CD2 3.71Å; L1230-L1298 HydrophobicContact CD1-CG 4.5Å; F1232-L1298 HydrophobicContact CE2-CD1 3.99Å; F1232-L1298 HydrophobicContact CZ-CD1 3.88Å; L1234-L1298 HydrophobicContact CD1-CD1 4.2Å; I1281-L1298 HydrophobicContact CD1-CD1 4.04Å; I1281-L1298 HydrophobicContact CD1-CD2 3.99Å; I1281-L1298 HydrophobicContact CD1-CG 3.94Å; I1281-L1298 HydrophobicContact CG2-CD2 3.64Å; I1281-L1298 HydrophobicContact CG2-CG 4.42Å; I1294-L1298 HydrophobicContact CG2-CD1 4.22Å; I1294-L1298 WeakPolarHBondContact O-CG 3.44Å; I1294-L1298 PolarHBondContact O-N 2.85Å; I1294-L1298 VanDerWaalsContact O-N 3.08Å; V1295-L1298 PolarHBondContact O-N 3.48Å; A1296-L1298 VanDerWaalsContact C-N 3.34Å; A1296-L1298 PolarHBondContact O-N 2.93Å; L1298-V1307 HydrophobicContact CD2-CG1 3.99Å; L1298-L1309 HydrophobicContact CD2-CD2 4.08Å
1299R93Very high93.5Very high169 Ų16958.8 Ų58.864%0.63833%0.326SS*.Hα-helixtrans-67.7-40175.5-79.7-177.9177.1-167.4-0.9111.1D130 K1225 V1295 A1296 K1301D130-R1299 IonicContact OD2-NH2 3.73Å; D130-R1299 PolarHBondContact OD2-NH2 2.89Å; K1225-R1299 PolarHBondContact NZ-O 2.74Å; V1295-R1299 HydrophobicContact CG1-CG 4.1Å; V1295-R1299 VanDerWaalsContact O-CB 3.27Å; V1295-R1299 WeakPolarHBondContact O-CB 3.09Å; V1295-R1299 VanDerWaalsContact O-CG 3.29Å; V1295-R1299 WeakPolarHBondContact O-CG 3.03Å; V1295-R1299 PolarHBondContact O-N 2.86Å; A1296-R1299 PolarHBondContact O-N 2.73Å; R1299-K1301 PolarHBondContact O-N 3.43Å
1300I92.7Very high93.8Very high139 Ų13957.6 Ų57.671%0.71332%0.322SS*.Hα-helixtrans-64.8-31.4-177.2-71.9162.7000114.1A1296 I1297A1296-I1300 WeakPolarHBondContact O-CD1 3.41Å; A1296-I1300 VanDerWaalsContact O-CG1 3.23Å; A1296-I1300 WeakPolarHBondContact O-CG1 3.46Å; A1296-I1300 PolarHBondContact O-N 3.14Å; I1297-I1300 PolarHBondContact O-N 3.05Å
1301K92.6Very high94.1Very high64 Ų6455.5 Ų55.528%0.27831%0.308SS..SBendtrans-58.1132.2179.3-65.8-77.9165.4157.80111K1225 D1282 R1299 V1307K1225-K1301 HydrophobicContact CD-CB 4.27Å; K1225-K1301 WeakPolarHBondContact CD-O 3.5Å; K1225-K1301 WeakPolarHBondContact CE-O 3.32Å; K1225-K1301 PolarHBondContact NZ-O 2.9Å; D1282-K1301 VanDerWaalsContact CG-NZ 3.34Å; D1282-K1301 WeakPolarHBondContact OD2-CD 3.4Å; D1282-K1301 WeakPolarHBondContact OD2-CE 3.42Å; D1282-K1301 IonicContact OD2-NZ 3.99Å; D1282-K1301 PolarHBondContact OD2-NZ 2.89Å; R1299-K1301 PolarHBondContact O-N 3.43Å; K1301-V1307 HydrophobicContact CB-CG2 4.12Å; K1301-V1307 HydrophobicContact CD-CG2 4.43Å; K1301-V1307 HydrophobicContact CG-CG2 4.07Å
1302P92.4Very high94.2Very high87 Ų8757.2 Ų57.257%0.56531%0.313SS*.PPolyproline II helixtrans-71.4157.2-174.526.4-31000112.6G1304 S1305P1302-G1304 PolarHBondContact O-N 2.87Å; P1302-S1305 WeakPolarHBondContact O-CB 3.35Å; P1302-S1305 PolarHBondContact O-N 2.93Å; P1302-S1305 PolarHBondContact O-OG 2.66Å; P1302-S1305 VanDerWaalsContact O-OG 3.06Å
1303V94.2Very high94.2Very high101 Ų10155 Ų5561%0.61229%0.288SS*.THydrogen-bonded Turntrans-61.3137.3172.7174.70000109.4
1304G92Very high93.7Very high28 Ų2855.9 Ų55.929%0.28929%0.292SS..THydrogen-bonded Turntrans89.4-13.7-175.600000114.9R1224 K1225 P1302R1224-G1304 WeakPolarHBondContact CG-O 3.47Å; R1224-G1304 PolarHBondContact NE-O 3.23Å; R1224-G1304 VanDerWaalsContact NE-O 3.16Å; K1225-G1304 VanDerWaalsContact O-CA 3.32Å; K1225-G1304 WeakPolarHBondContact O-CA 3.17Å; K1225-G1304 PolarHBondContact O-N 2.87Å; P1302-G1304 PolarHBondContact O-N 2.87Å
1305S94.1Very high93Very high26 Ų2656.9 Ų56.918%0.18230%0.299CS..  trans-71.1148.8179.978.60000112.5R1224 K1225 P1302R1224-S1305 CarbonylContact C-O 3.57Å; R1224-S1305 WeakPolarHBondContact CA-O 3.33Å; K1225-S1305 PolarHBondContact N-O 3.12Å; P1302-S1305 WeakPolarHBondContact O-CB 3.35Å; P1302-S1305 PolarHBondContact O-N 2.93Å; P1302-S1305 PolarHBondContact O-OG 2.66Å; P1302-S1305 VanDerWaalsContact O-OG 3.06Å
1306I95Very high91.8Very high106 Ų10656 Ų5654%0.54429%0.292SS..EExtended strand (participates in β ladder)trans-76.5142.1165.2-60173.9000108.4T1222T1222-I1306 HydrophobicContact CG2-CG2 3.42Å; T1222-I1306 VanDerWaalsContact CG2-CG2 3.42Å
1307V96.3Very high90.5Very high0 Ų056.5 Ų56.50%029%0.288CS..EExtended strand (participates in β ladder)trans-132.4119.9174.9-179.90000108.2L1223 L1230 I1281 D1282 L1298 K1301 L1309L1223-V1307 PolarHBondContact N-O 2.9Å; L1223-V1307 PolarHBondContact O-N 2.89Å; L1230-V1307 HydrophobicContact CD1-CG1 4.45Å; L1230-V1307 HydrophobicContact CD1-CG2 4.45Å; L1230-V1307 HydrophobicContact CD2-CB 4.24Å; L1230-V1307 HydrophobicContact CD2-CG2 4.21Å; I1281-V1307 HydrophobicContact CG2-CG1 4.16Å; D1282-V1307 WeakPolarHBondContact OD1-CA 3.45Å; L1298-V1307 HydrophobicContact CD2-CG1 3.99Å; K1301-V1307 HydrophobicContact CB-CG2 4.12Å; K1301-V1307 HydrophobicContact CD-CG2 4.43Å; K1301-V1307 HydrophobicContact CG-CG2 4.07Å; V1307-L1309 HydrophobicContact CG1-CD2 3.86Å; V1307-L1309 HydrophobicContact CG1-CG 4.41Å
1308N96.8Very high89Confident49 Ų4955.6 Ų55.626%0.26229%0.285SS..EExtended strand (participates in β ladder)trans-92.3123.2178.5-64.7-17.7000109.5L1220 I1281 D1282L1220-N1308 HydrophobicContact CD1-CB 4.22Å; I1281-N1308 CarbonylContact C-O 3.55Å; I1281-N1308 WeakPolarHBondContact CA-O 3.43Å; D1282-N1308 PolarHBondContact N-O 3.42Å; D1282-N1308 PolarHBondContact OD1-N 3.1Å
1309L96.8Very high87.1Confident0 Ų061.1 Ų61.10%031%0.31CS..EExtended strand (participates in β ladder)trans-114.9114.8178.9-56177.5000108.8I1221 L1223 F1232 L1272 L1278 Q1280 I1281 L1298 V1307 V1311I1221-L1309 PolarHBondContact N-O 3.09Å; I1221-L1309 PolarHBondContact O-N 2.83Å; L1223-L1309 HydrophobicContact CD1-CD1 3.85Å; L1223-L1309 HydrophobicContact CG-CD1 4.41Å; F1232-L1309 HydrophobicContact CE1-CD1 3.81Å; F1232-L1309 HydrophobicContact CZ-CD1 3.86Å; L1272-L1309 HydrophobicContact CD2-CD1 4.48Å; L1278-L1309 HydrophobicContact CD2-CB 4.33Å; L1278-L1309 HydrophobicContact CD2-CD2 4.1Å; Q1280-L1309 WeakPolarHBondContact O-CA 3.41Å; I1281-L1309 HydrophobicContact CB-CD2 4.39Å; I1281-L1309 HydrophobicContact CD1-CD2 4.46Å; I1281-L1309 HydrophobicContact CG1-CD2 3.94Å; I1281-L1309 HydrophobicContact CG2-CD2 4.06Å; L1298-L1309 HydrophobicContact CD2-CD2 4.08Å; V1307-L1309 HydrophobicContact CG1-CD2 3.86Å; V1307-L1309 HydrophobicContact CG1-CG 4.41Å; L1309-V1311 HydrophobicContact CB-CG1 4.37Å
1310L96.8Very high85.2Confident38 Ų3858.8 Ų58.820%0.19931%0.309CS..EExtended strand (participates in β ladder)trans-84117.7163.4-168.669.6000107.3D1218 L1220 I1279 Q1280D1218-L1310 HydrophobicContact CB-CD1 4.32Å; L1220-L1310 HydrophobicContact CB-CD1 4.35Å; I1279-L1310 HydrophobicContact CB-CB 4.45Å; I1279-L1310 HydrophobicContact CB-CD2 4.29Å; I1279-L1310 HydrophobicContact CB-CG 4.34Å; I1279-L1310 WeakPolarHBondContact CB-O 3.27Å; I1279-L1310 HydrophobicContact CG2-CD2 3.99Å; I1279-L1310 PolarHBondContact N-O 3.19Å; Q1280-L1310 HydrophobicContact CB-CB 3.5Å; Q1280-L1310 VanDerWaalsContact CB-CB 3.5Å; Q1280-L1310 HydrophobicContact CB-CD2 4.16Å; Q1280-L1310 HydrophobicContact CB-CG 4.47Å; Q1280-L1310 PolarHBondContact N-O 2.79Å; Q1280-L1310 VanDerWaalsContact N-O 3.11Å; Q1280-L1310 PolarHBondContact O-N 2.94Å
1311V95.7Very high83.3Confident0 Ų057.6 Ų57.60%030%0.301CS..EExtended strand (participates in β ladder)trans-119.1147.7176.4-62.60000111.2D1218 K1219 I1221 L1272 D1276 R1277 L1278 L1309D1218-V1311 CarbonylContact C-O 3.56Å; D1218-V1311 WeakPolarHBondContact CA-O 3.44Å; K1219-V1311 HydrophobicContact CB-CG2 4.19Å; K1219-V1311 PolarHBondContact N-O 3.24Å; K1219-V1311 PolarHBondContact O-N 3.39Å; I1221-V1311 HydrophobicContact CD1-CG2 3.53Å; I1221-V1311 HydrophobicContact CG1-CG2 4.22Å; L1272-V1311 HydrophobicContact CD1-CG1 3.88Å; D1276-V1311 HydrophobicContact CB-CB 4.06Å; D1276-V1311 HydrophobicContact CB-CG1 4.29Å; D1276-V1311 HydrophobicContact CB-CG2 4.27Å; R1277-V1311 CarbonylContact O-C 3.6Å; R1277-V1311 WeakPolarHBondContact O-CA 3.29Å; R1277-V1311 WeakPolarHBondContact O-CB 3.26Å; L1278-V1311 HydrophobicContact CD2-CG1 3.98Å; L1309-V1311 HydrophobicContact CB-CG1 4.37Å
1312R94.3Very high81.4Confident76 Ų7659.6 Ų59.629%0.28732%0.319SS..EExtended strand (participates in β ladder)trans-104.2123.8171-169163.8-65.7-168.8-5.2110E1216 D1218 R1277 I1279E1216-R1312 HydrophobicContact CB-CG 3.88Å; E1216-R1312 WeakPolarHBondContact OE2-CD 3.34Å; E1216-R1312 IonicContact OE2-NH1 3.27Å; E1216-R1312 PolarHBondContact OE2-NH1 3.34Å; D1218-R1312 VanDerWaalsContact OD1-CB 3.25Å; D1218-R1312 WeakPolarHBondContact OD1-CB 3.34Å; D1218-R1312 WeakPolarHBondContact OD1-CG 3.45Å; D1218-R1312 IonicContact OD1-CZ 3.63Å; D1218-R1312 IonicContact OD1-NE 3.34Å; D1218-R1312 PolarHBondContact OD1-NE 2.91Å; D1218-R1312 IonicContact OD1-NH2 2.82Å; D1218-R1312 PolarHBondContact OD1-NH2 2.98Å; D1218-R1312 IonicContact OD2-CZ 3.25Å; D1218-R1312 IonicContact OD2-NE 2.68Å; D1218-R1312 IonicContact OD2-NH2 3.65Å; D1218-R1312 PolarHBondContact OD2-NH2 2.71Å; R1277-R1312 HydrophobicContact CB-CB 4.32Å; R1277-R1312 PolarHBondContact N-O 3.28Å; R1277-R1312 PolarHBondContact O-N 2.84Å; I1279-R1312 HydrophobicContact CD1-CB 3.93Å; I1279-R1312 HydrophobicContact CG1-CB 3.8Å
1313R92.3Very high79.5Confident28 Ų2862.7 Ų62.711%0.10633%0.325CS..EExtended strand (participates in β ladder)trans-111.5135.9178.5-174.8171.9-63.7160.29.3109.7E1216 E1217 Q1271 D1276 V1315E1216-R1313 CarbonylContact C-O 3.53Å; E1216-R1313 WeakPolarHBondContact CA-O 3.48Å; E1217-R1313 PolarHBondContact N-O 3.43Å; E1217-R1313 PolarHBondContact O-N 2.02Å; Q1271-R1313 PolarHBondContact O-NH2 2.81Å; D1276-R1313 VanDerWaalsContact CG-NH2 3.31Å; D1276-R1313 IonicContact OD1-CZ 2.86Å; D1276-R1313 IonicContact OD1-NE 3.01Å; D1276-R1313 PolarHBondContact OD1-NE 3.34Å; D1276-R1313 IonicContact OD1-NH2 2.78Å; D1276-R1313 PolarHBondContact OD1-NH2 3.35Å; D1276-R1313 VanDerWaalsContact OD1-NH2 3.11Å; D1276-R1313 IonicContact OD2-CZ 2.73Å; D1276-R1313 IonicContact OD2-NE 3.78Å; D1276-R1313 IonicContact OD2-NH2 2.74Å; D1276-R1313 PolarHBondContact OD2-NH2 3.47Å; R1313-V1315 HydrophobicContact CB-CG2 4.46Å; R1313-V1315 HydrophobicContact CG-CG2 3.99Å
1314Q83.2Confident77.6Confident124 Ų12463.2 Ų63.258%0.57933%0.325SS*.EExtended strand (participates in β ladder)trans-86125.5168-72.4178.7-7.100108.7I1214 E1216I1214-Q1314 HydrophobicContact CG2-CB 3.94Å; I1214-Q1314 HydrophobicContact CG2-CG 4.03Å; E1216-Q1314 HydrophobicContact CG-CG 4.17Å; E1216-Q1314 PolarHBondContact OE1-NE2 3.24Å
1315V79.1Confident76.1Confident22 Ų2262.2 Ų62.213%0.13331%0.313CS..EExtended strand (participates in β ladder)trans-125.3124.9-176-177.20000108.3R1215 E1217 R1313 I1317 L1320R1215-V1315 PolarHBondContact N-O 3.42Å; R1215-V1315 PolarHBondContact O-N 3.09Å; E1217-V1315 HydrophobicContact CB-CG2 4.31Å; R1313-V1315 HydrophobicContact CB-CG2 4.46Å; R1313-V1315 HydrophobicContact CG-CG2 3.99Å; V1315-I1317 PolarHBondContact O-N 3.32Å; V1315-L1320 HydrophobicContact CG1-CD1 4.16Å; V1315-L1320 HydrophobicContact CG1-CG 4.47Å
1316H68.8Low74.4Confident22 Ų2266.8 Ų66.810%0.10234%0.335CS..EExtended strand (participates in β ladder)trans-73.8121.3170.4-78-53.8000109.9T1206 C1213 I1214 C1318 Q1319T1206-H1316 WeakPolarHBondContact CG2-CE1 3.32Å; T1206-H1316 PolarHBondContact OG1-CE1 2.94Å; T1206-H1316 PolarHBondContact OG1-NE2 3.24Å; C1213-H1316 WeakPolarHBondContact O-CA 3.3Å; C1213-H1316 PolarHBondContact O-ND1 3.37Å; I1214-H1316 WeakPolarHBondContact CG1-CE1 3.36Å; H1316-C1318 PolarHBondContact O-N 3.22Å; H1316-C1318 VanDerWaalsContact O-N 3.08Å; H1316-Q1319 HydrophobicContact CB-CG 3.97Å; H1316-Q1319 WeakPolarHBondContact O-CB 3.49Å; H1316-Q1319 PolarHBondContact O-N 2.99Å
1317I65.8Low72.4Confident56 Ų5664.9 Ų64.929%0.28733%0.329SS..G310 helixtrans-52.3-38.7-177.9-50.5-180000110.5C1213 R1215 V1315 Q1319 L1320 H1321C1213-I1317 PolarHBondContact O-N 2.85Å; R1215-I1317 HydrophobicContact CB-CG1 4.46Å; R1215-I1317 HydrophobicContact CG-CD1 3.87Å; R1215-I1317 HydrophobicContact CG-CG1 3.82Å; V1315-I1317 PolarHBondContact O-N 3.32Å; I1317-Q1319 VanDerWaalsContact C-N 3.28Å; I1317-Q1319 PolarHBondContact O-N 2.97Å; I1317-L1320 WeakPolarHBondContact O-CB 3.48Å; I1317-L1320 PolarHBondContact O-N 3.44Å; I1317-H1321 PolarHBondContact O-N 2.98Å
1318C62.4Low70.6Confident20 Ų2066.2 Ų66.214%0.13534%0.337CS..G310 helixtrans-84.70.9-170.6-42.50000113.5C1207 H1316 C1325C1207-C1318 HydrophobicContact CB-CB 4.25Å; C1207-C1318 PolarHBondContact SG-SG 2.91Å; H1316-C1318 PolarHBondContact O-N 3.22Å; H1316-C1318 VanDerWaalsContact O-N 3.08Å; C1318-C1325 HydrophobicContact CB-CB 4.05Å; C1318-C1325 WeakPolarHBondContact SG-CB 3.49Å
1319Q55.3Low68.7Low129 Ų12967.3 Ų67.360%0.60334%0.341SS*.G310 helixtrans-83.8-15162.2-67.5177.2-3.500112.1H1316 I1317H1316-Q1319 HydrophobicContact CB-CG 3.97Å; H1316-Q1319 WeakPolarHBondContact O-CB 3.49Å; H1316-Q1319 PolarHBondContact O-N 2.99Å; I1317-Q1319 VanDerWaalsContact C-N 3.28Å; I1317-Q1319 PolarHBondContact O-N 2.97Å
1320L53.4Low66.6Low119 Ų11972.8 Ų72.862%0.62337%0.369SS*.THydrogen-bonded Turntrans-92.9-46.4178.2-62.1172.4000111.4V1315 I1317V1315-L1320 HydrophobicContact CG1-CD1 4.16Å; V1315-L1320 HydrophobicContact CG1-CG 4.47Å; I1317-L1320 WeakPolarHBondContact O-CB 3.48Å; I1317-L1320 PolarHBondContact O-N 3.44Å
1321H52.8Low64.4Low115 Ų11574.4 Ų74.453%0.53238%0.378SS..  trans-129.3121.5172.5-52.8147.8000110.9I1317 Q1323 D1324I1317-H1321 PolarHBondContact O-N 2.98Å; H1321-Q1323 VanDerWaalsContact C-N 3.3Å; H1321-D1324 HydrophobicContact CB-CB 4.19Å; H1321-D1324 WeakPolarHBondContact CB-OD2 3.29Å; H1321-D1324 IonicContact CE1-OD2 2.71Å; H1321-D1324 IonicContact CG-OD2 2.95Å; H1321-D1324 IonicContact ND1-OD2 2.57Å; H1321-D1324 PolarHBondContact ND1-OD2 3.21Å
1322T51.8Low62Low106 Ų10679.5 Ų79.565%0.6541%0.405SS*.SBendtrans-79.4-11.5177.150.30000113.5
1323Q53Low59.4Low151 Ų15179.3 Ų79.371%0.70642%0.415SS*.SBendtrans-96.8-20.3-177.8-63.2-174-2.800113.9H1321 C1325 Q1329H1321-Q1323 VanDerWaalsContact C-N 3.3Å; Q1323-C1325 VanDerWaalsContact C-N 3.27Å; Q1323-C1325 PolarHBondContact O-N 3.48Å; Q1323-Q1329 PolarHBondContact O-NE2 3.31Å
1324D53.5Low56.9Low113 Ų11382.4 Ų82.460%0.60444%0.438SS*.SBendtrans-81.9-4.8-175.8-64.5-5.2000113.3H1321H1321-D1324 HydrophobicContact CB-CB 4.19Å; H1321-D1324 WeakPolarHBondContact CB-OD2 3.29Å; H1321-D1324 IonicContact CE1-OD2 2.71Å; H1321-D1324 IonicContact CG-OD2 2.95Å; H1321-D1324 IonicContact ND1-OD2 2.57Å; H1321-D1324 PolarHBondContact ND1-OD2 3.21Å
1325C61.8Low54.9Low7 Ų781.7 Ų81.75%0.04744%0.437CS..  trans-114.299.7-174.6-173.90000112.7C1207 C1209 C1318 Q1323 T1327 C1328 Q1329C1207-C1325 PolarHBondContact SG-SG 2.78Å; C1209-C1325 PolarHBondContact SG-SG 3.43Å; C1318-C1325 HydrophobicContact CB-CB 4.05Å; C1318-C1325 WeakPolarHBondContact SG-CB 3.49Å; Q1323-C1325 VanDerWaalsContact C-N 3.27Å; Q1323-C1325 PolarHBondContact O-N 3.48Å; C1325-T1327 PolarHBondContact O-N 3.24Å; C1325-C1328 HydrophobicContact CB-CB 4.14Å; C1325-C1328 PolarHBondContact O-N 3.42Å; C1325-C1328 VanDerWaalsContact O-N 3.09Å; C1325-Q1329 WeakPolarHBondContact O-CG 3.33Å; C1325-Q1329 PolarHBondContact O-N 3.14Å
1326L56.8Low52.8Low122 Ų12285.9 Ų85.964%0.63946%0.462SS*.Hα-helixtrans-51.4-40.8174-94.567.1000112.6C1328 Q1329 L1330L1326-C1328 VanDerWaalsContact C-N 3.33Å; L1326-C1328 PolarHBondContact O-N 2.89Å; L1326-Q1329 PolarHBondContact O-N 2.72Å; L1326-L1330 WeakPolarHBondContact O-CD1 3.49Å; L1326-L1330 PolarHBondContact O-N 2.87Å
1327T53.5Low51.1Low66 Ų6688.8 Ų88.841%0.40549%0.485SS..Hα-helixtrans-70.7-26.7-177.6-5.70000113.2C1208 C1209 C1325 L1331C1208-T1327 WeakPolarHBondContact O-CG2 3.41Å; C1209-T1327 VanDerWaalsContact SG-CB 3.57Å; C1325-T1327 PolarHBondContact O-N 3.24Å; T1327-L1331 WeakPolarHBondContact O-CD1 3.21Å
1328C58.7Low49.4Very low27 Ų2791 Ų9118%0.18251%0.506CS..Hα-helixtrans-76.9-40.2166.9-75.10000111.9C1207 C1325 L1326 L1330 L1331 N1332C1207-C1328 PolarHBondContact SG-SG 3.33Å; C1325-C1328 HydrophobicContact CB-CB 4.14Å; C1325-C1328 PolarHBondContact O-N 3.42Å; C1325-C1328 VanDerWaalsContact O-N 3.09Å; L1326-C1328 VanDerWaalsContact C-N 3.33Å; L1326-C1328 PolarHBondContact O-N 2.89Å; C1328-L1330 VanDerWaalsContact C-N 3.34Å; C1328-L1330 PolarHBondContact O-N 2.73Å; C1328-L1331 PolarHBondContact O-N 3.3Å; C1328-N1332 PolarHBondContact O-N 2.87Å
1329Q57.4Low47.8Very low73 Ų7395 Ų9534%0.34153%0.534SS..Hα-helixtrans-60.9-40.2178.3-72.7175.5-31.100112.5Q1323 C1325 L1326 L1331 N1332 S1333Q1323-Q1329 PolarHBondContact O-NE2 3.31Å; C1325-Q1329 WeakPolarHBondContact O-CG 3.33Å; C1325-Q1329 PolarHBondContact O-N 3.14Å; L1326-Q1329 PolarHBondContact O-N 2.72Å; Q1329-L1331 PolarHBondContact O-N 3.27Å; Q1329-N1332 PolarHBondContact O-N 3.29Å; Q1329-S1333 WeakPolarHBondContact O-CB 3.33Å; Q1329-S1333 PolarHBondContact O-N 2.93Å; Q1329-S1333 PolarHBondContact O-OG 3.18Å
1330L52.4Low46.5Very low114 Ų11493.9 Ų93.960%0.59754%0.54SS*.Hα-helixtrans-65-36.3177.1-97.370.3000112.5L1326 C1328 T1334L1326-L1330 WeakPolarHBondContact O-CD1 3.49Å; L1326-L1330 PolarHBondContact O-N 2.87Å; C1328-L1330 VanDerWaalsContact C-N 3.34Å; C1328-L1330 PolarHBondContact O-N 2.73Å; L1330-T1334 PolarHBondContact O-N 3.08Å; L1330-T1334 VanDerWaalsContact O-N 3.14Å; L1330-T1334 PolarHBondContact O-OG1 3.28Å
1331L49.9Very low45.3Very low73 Ų7393.9 Ų93.938%0.38255%0.55SS.*Hα-helixtrans-75.2-39.1175.1-88.992.3000113.1C1208 T1327 C1328 Q1329 S1333 T1334 I1335C1208-L1331 HydrophobicContact CB-CD1 3.6Å; C1208-L1331 HydrophobicContact CB-CD2 4.25Å; C1208-L1331 HydrophobicContact CB-CG 4.4Å; T1327-L1331 WeakPolarHBondContact O-CD1 3.21Å; C1328-L1331 PolarHBondContact O-N 3.3Å; Q1329-L1331 PolarHBondContact O-N 3.27Å; L1331-S1333 PolarHBondContact O-N 2.9Å; L1331-T1334 WeakPolarHBondContact CA-OG1 3.44Å; L1331-T1334 PolarHBondContact O-N 3.24Å; L1331-T1334 PolarHBondContact O-OG1 2.88Å; L1331-I1335 WeakPolarHBondContact O-CB 3.19Å; L1331-I1335 VanDerWaalsContact O-CG1 3.28Å; L1331-I1335 WeakPolarHBondContact O-CG1 3.45Å; L1331-I1335 PolarHBondContact O-N 2.83Å
1332N45.6Very low44.2Very low106 Ų10693.7 Ų93.757%0.56756%0.562SS**Hα-helixtrans-57-42.8171.2-77.60.3000110.9C1328 Q1329 T1334 I1335 T1336C1328-N1332 PolarHBondContact O-N 2.87Å; Q1329-N1332 PolarHBondContact O-N 3.29Å; N1332-T1334 PolarHBondContact O-N 3Å; N1332-I1335 PolarHBondContact O-N 2.91Å; N1332-T1336 WeakPolarHBondContact O-CG2 2.99Å; N1332-T1336 PolarHBondContact O-N 2.81Å; N1332-T1336 PolarHBondContact O-OG1 2.99Å
1333S40.3Very low43.1Very low72 Ų7293.6 Ų93.650%0.50357%0.566SS.*Hα-helixtrans-64.3-34178.8-54.10000114.1Q1329 L1331 T1336 S1337Q1329-S1333 WeakPolarHBondContact O-CB 3.33Å; Q1329-S1333 PolarHBondContact O-N 2.93Å; Q1329-S1333 PolarHBondContact O-OG 3.18Å; L1331-S1333 PolarHBondContact O-N 2.9Å; S1333-T1336 PolarHBondContact O-OG1 2.91Å; S1333-S1337 PolarHBondContact O-OG 3.4Å
1334T39Very low42Very low94 Ų9491.7 Ų91.758%0.57757%0.569SS**Hα-helixtrans-86.7-20.1179.743.30000113.3L1330 L1331 N1332 S1337L1330-T1334 PolarHBondContact O-N 3.08Å; L1330-T1334 VanDerWaalsContact O-N 3.14Å; L1330-T1334 PolarHBondContact O-OG1 3.28Å; L1331-T1334 WeakPolarHBondContact CA-OG1 3.44Å; L1331-T1334 PolarHBondContact O-N 3.24Å; L1331-T1334 PolarHBondContact O-OG1 2.88Å; N1332-T1334 PolarHBondContact O-N 3Å; T1334-S1337 WeakPolarHBondContact CA-OG 3.14Å; T1334-S1337 PolarHBondContact O-OG 2.91Å
1335I41.6Very low40.7Very low109 Ų10991 Ų9156%0.55957%0.573SS**Hα-helixtrans-76.3-42.8169.1-67.5165.5000110.3L1331 N1332 S1337 S1338L1331-I1335 WeakPolarHBondContact O-CB 3.19Å; L1331-I1335 VanDerWaalsContact O-CG1 3.28Å; L1331-I1335 WeakPolarHBondContact O-CG1 3.45Å; L1331-I1335 PolarHBondContact O-N 2.83Å; N1332-I1335 PolarHBondContact O-N 2.91Å; I1335-S1337 PolarHBondContact O-N 2.73Å; I1335-S1338 PolarHBondContact O-OG 2.73Å
1336T35.8Very low39Very low109 Ų10995.4 Ų95.467%0.66960%0.6SS**THydrogen-bonded Turntrans-701.8-179.452.50000115.6N1332 S1333N1332-T1336 WeakPolarHBondContact O-CG2 2.99Å; N1332-T1336 PolarHBondContact O-N 2.81Å; N1332-T1336 PolarHBondContact O-OG1 2.99Å; S1333-T1336 PolarHBondContact O-OG1 2.91Å
1337S32.9Very low37.7Very low83 Ų8399.5 Ų99.558%0.5861%0.608SS**THydrogen-bonded Turntrans-112.918.4-176.338.20000114.1S1333 T1334 I1335S1333-S1337 PolarHBondContact O-OG 3.4Å; T1334-S1337 WeakPolarHBondContact CA-OG 3.14Å; T1334-S1337 PolarHBondContact O-OG 2.91Å; I1335-S1337 PolarHBondContact O-N 2.73Å
1338S30.6Very low36.6Very low102 Ų102105.3 Ų105.371%0.71363%0.631SS**SBendtrans-125.78.4-176.5620000116I1335I1335-S1338 PolarHBondContact O-OG 2.73Å
1339S28.5Very low34.8Very low104 Ų104109.1 Ų109.173%0.72766%0.658SS**  trans-137.962.2-174.263.70000113.8
1340S26.7Very low33.7Very low106 Ų106110.3 Ų110.374%0.74167%0.672SS**  trans-152.167.1-178.960.70000115
1341S29Very low32.4Very low119 Ų119111.9 Ų111.983%0.83268%0.681SS**  trans171.7141156.734.90000106.7
1342S29.5Very low31.5Very low111 Ų111114.3 Ų114.378%0.77670%0.698SS**  cis-164.8167.728.438.50000108.4
1343S29.3Very low30.8Very low104 Ų104116.4 Ų116.473%0.72771%0.709SS**  cis-174.3155.4-11.546.50000111.9
1344S29.3Very low30.1Very low111 Ų111119.3 Ų119.378%0.77672%0.719SS**  trans-159.8106.8137.7-90.40000108
1345S26.5Very low29.4Very low100 Ų100118.7 Ų118.770%0.69972%0.715SS**  77.8127.173.578.60000111.5
1346T26.3Very low28.9Very low99 Ų99123.6 Ų123.661%0.60773%0.727SS**  cis-158.4170.718.1-46.20000110.7
1347Y28Very low28.4Very low207 Ų207125.5 Ų125.581%0.81273%0.733SS**  trans77.5134169.5-50.3-70.3000115.1
1348Q30.7Very low28.3Very low188 Ų188130.2 Ų130.288%0.87975%0.751SS**  cis-139.9167.88.7-120.3162.81100111.5
1349S21.7Very low28.1Very low107 Ų107133.7 Ų133.775%0.74875%0.753SS**  trans-129-176178.164.60000109.5
1350P34.9Very low28.1Very low98 Ų98134.7 Ų134.764%0.63676%0.758SS**  cis-139.4-167.8-1.440.7-20.2000116.1
1351D24.9Very low27.9Very low148 Ų148133.3 Ų133.379%0.79175%0.748SS**  trans87.2154.5142-72.4-22.1000125.5
1352V30.8Very low27.7Very low123 Ų123134.6 Ų134.675%0.74575%0.745SS**  trans90.3101.7158.8-160.80000120.2
1353L30.2Very low27.6Very low150 Ų150137.4 Ų137.479%0.78575%0.751SS**  trans51.4134.6154.6-82.971000119.9
1354N25.3Very low27.4Very low134 Ų134138 Ų13872%0.71775%0.75SS**  cis103.7146.733.6-170.224000113.6
1355T26Very low27.3Very low81 Ų81140.8 Ų140.850%0.49776%0.756SS.*  trans72.8121.4166.339.90000122.2
1356R29.1Very low27.5Very low212 Ų212141.1 Ų141.180%0.876%0.755SS**  trans80.1112.2135.2-66.3165.2-173.7142.7-0.6120.5
1357N27.1Very low27.4Very low148 Ų148145.5 Ų145.579%0.79177%0.768SS**  27.6114.1125.1-59.1-9.9000118.6
1358L29.6Very low27.4Very low183 Ų183139.2 Ų139.296%0.95877%0.766SS**  -106.9153.9129.9-101.882.3000109.8
1359K27Very low27.4Very low174 Ų174140.4 Ų140.476%0.75777%0.769SS**  trans-154.2122-167.4172.7-163.6174.7-170.60109.3
1360C27.2Very low27.5Very low126 Ų126143 Ų14385%0.85177%0.774SS**  trans-156.4133.5166.7-94.50000106.8
1361C24.3Very low27.5Very low77 Ų77143.2 Ų143.252%0.5278%0.775SS.*  cis55.798.816.6-43.30000110.9
1362D23.8Very low27.6Very low145 Ų145141 Ų14178%0.77577%0.771SS**  cis-147.7173.942.1-65.2-45.7000112.9
1363L27.5Very low27.5Very low171 Ų171140 Ų14090%0.89576%0.761SS**  -161.3101.4127.6-109164.9000111
1364T24.4Very low27.3Very low116 Ų116138 Ų13871%0.71274%0.744SS**  trans-65.814216041.60000109.9
1365L29Very low27.3Very low170 Ų170134.4 Ų134.489%0.8973%0.73SS**  trans-66.1141165.8-77.4163.4000109.8
1366P30.1Very low27.3Very low106 Ų106136.6 Ų136.669%0.68873%0.729SS**  -143.8144.8107.535.2-20.3000116.4
1367H24.3Very low27.2Very low191 Ų191132 Ų13288%0.88472%0.719SS**  trans14.6128.8151.8-52.7-80.8000121.9
1368G27.5Very low27.2Very low75 Ų75131.4 Ų131.477%0.77372%0.716SS**  trans-170.741.6174.900000123.4
1369K30.5Very low27.1Very low213 Ų213128 Ų12893%0.92670%0.702SS**  trans64159.7159.6-64-179.5177.4178.10121.2
1370L23.8Very low27.2Very low163 Ų163131.1 Ų131.185%0.85371%0.71SS**  trans-112.9-175.4178.3-107.370.6000109.8
1371P34.6Very low27.1Very low101 Ų101134.3 Ų134.366%0.65671%0.709SS**  cis-141.5169.7-30.437.2-18.4000117.5
1372S28.6Very low27Very low103 Ų103136.2 Ų136.272%0.7272%0.722SS**  trans71162.6149.474.30000121.7
1373N27.2Very low27.1Very low100 Ų100134.4 Ų134.454%0.53572%0.721SS.*  cis-173.8173.7-17.9-101.721000111.9
1374Y26.2Very low27.2Very low109 Ų109132 Ų13243%0.42772%0.718SS.*  trans79.9162155.2-57.5-30.9000118.9Q540 S541 V544Q540-Y1374 CarbonylContact C-O 3.58Å; Q540-Y1374 VanDerWaalsContact C-O 3.3Å; Q540-Y1374 WeakPolarHBondContact CB-O 3.1Å; S541-Y1374 VanDerWaalsContact C-CA 3.44Å; S541-Y1374 PolarHBondContact N-O 2.74Å; S541-Y1374 WeakPolarHBondContact O-CA 3.2Å; S541-Y1374 PolarHBondContact O-N 3.14Å; V544-Y1374 HydrophobicContact CG2-CD1 4.47Å; V544-Y1374 HydrophobicContact CG2-CE1 3.61Å
1375S25.9Very low27.3Very low59 Ų59131.7 Ų131.741%0.41372%0.718SS.*  cis-178.9160-12.7-94.40000112.2D542 Y543D542-S1375 VanDerWaalsContact N-CA 3.26Å; Y543-S1375 WeakPolarHBondContact CD2-OG 3.4Å; Y543-S1375 PolarHBondContact N-OG 3.3Å
1376W24.5Very low27.2Very low127 Ų127129.1 Ų129.148%0.48171%0.712SS.*  cis-169.3158.4-11-171.744.1000112.3D542 Y543D542-W1376 VanDerWaalsContact OD1-CA 3.28Å; D542-W1376 WeakPolarHBondContact OD1-CA 3.46Å; D542-W1376 VanDerWaalsContact OD2-CD1 3.27Å; Y543-W1376 HydrophobicContact CD1-CD2 4.21Å; Y543-W1376 HydrophobicContact CD1-CE3 4.29Å; Y543-W1376 HydrophobicContact CD1-CH2 4.05Å; Y543-W1376 AromaticContact CD1-CZ2 3.95Å; Y543-W1376 HydrophobicContact CD1-CZ2 3.95Å; Y543-W1376 HydrophobicContact CD1-CZ3 4.22Å; Y543-W1376 HydrophobicContact CD2-CB 3.6Å; Y543-W1376 AromaticContact CD2-CD1 3.68Å; Y543-W1376 AromaticContact CD2-CD2 3.19Å; Y543-W1376 HydrophobicContact CD2-CD2 3.19Å; Y543-W1376 AromaticContact CD2-CE2 3.66Å; Y543-W1376 AromaticContact CD2-CE3 3.58Å; Y543-W1376 HydrophobicContact CD2-CE3 3.58Å; Y543-W1376 AromaticContact CD2-CG 3.24Å; Y543-W1376 HydrophobicContact CD2-CG 3.24Å; Y543-W1376 HydrophobicContact CD2-CZ2 4.38Å; Y543-W1376 HydrophobicContact CD2-CZ3 4.31Å; Y543-W1376 AromaticContact CD2-NE1 3.93Å; Y543-W1376 HydrophobicContact CE1-CD2 4.41Å; Y543-W1376 HydrophobicContact CE1-CE3 4.05Å; Y543-W1376 HydrophobicContact CE1-CH2 4.03Å; Y543-W1376 HydrophobicContact CE1-CZ2 4.39Å; Y543-W1376 AromaticContact CE1-CZ3 3.84Å; Y543-W1376 HydrophobicContact CE1-CZ3 3.84Å; Y543-W1376 HydrophobicContact CE2-CB 3.85Å; Y543-W1376 AromaticContact CE2-CD2 3.44Å; Y543-W1376 HydrophobicContact CE2-CD2 3.44Å; Y543-W1376 VanDerWaalsContact CE2-CD2 3.44Å; Y543-W1376 AromaticContact CE2-CE3 3.28Å; Y543-W1376 HydrophobicContact CE2-CE3 3.28Å; Y543-W1376 AromaticContact CE2-CG 3.75Å; Y543-W1376 HydrophobicContact CE2-CG 3.75Å; Y543-W1376 AromaticContact CE2-CZ3 3.94Å; Y543-W1376 HydrophobicContact CE2-CZ3 3.94Å; Y543-W1376 AromaticContact CG-CD1 4Å; Y543-W1376 AromaticContact CG-CD2 3.62Å; Y543-W1376 HydrophobicContact CG-CD2 3.62Å; Y543-W1376 AromaticContact CG-CE2 3.54Å; Y543-W1376 HydrophobicContact CG-CE3 4.09Å; Y543-W1376 AromaticContact CG-CG 3.93Å; Y543-W1376 HydrophobicContact CG-CG 3.93Å; Y543-W1376 HydrophobicContact CG-CH2 4.39Å; Y543-W1376 AromaticContact CG-CZ2 3.96Å; Y543-W1376 HydrophobicContact CG-CZ2 3.96Å; Y543-W1376 HydrophobicContact CG-CZ3 4.45Å; Y543-W1376 AromaticContact CG-NE1 3.81Å; Y543-W1376 AromaticContact CZ-CE3 3.53Å; Y543-W1376 AromaticContact CZ-CZ3 3.68Å
1377I27.8Very low27.2Very low116 Ų116132.6 Ų132.660%0.59572%0.723SS**  trans62152.2160.346.5170.8000121.4
1378D28Very low27.1Very low135 Ų135131.7 Ų131.772%0.72272%0.72SS**  cis-160.5169.8-12.5178.636.2000111
1379T26Very low27.1Very low110 Ų110136.8 Ų136.868%0.67573%0.725SS**  trans78.6134.1169.575.30000116.4
1380R29.8Very low26.9Very low241 Ų241132.5 Ų132.591%0.90972%0.717SS**  -139.5152.456.7-52.2-175-169.6-171.63.3116.2
1381K25Very low26.9Very low193 Ų193131.3 Ų131.384%0.83971%0.711SS**  trans-53.2145164.3-54.1165.2179.2174.60112.5
1382C22.5Very low26.5Very low116 Ų116137.5 Ų137.578%0.78472%0.723SS**  176.3154.6102.6-95.60000114.2
1383S26.1Very low26.2Very low108 Ų108139.5 Ų139.576%0.75572%0.715SS**  trans32.1133154.6-54.40000122.3P1385S1383-P1385 WeakPolarHBondContact O-CD 3.42Å
1384S29.8Very low26.1Very low120 Ų120142.8 Ų142.884%0.83973%0.733SS**  trans-63.1139.6154.5-39.60000112
1385P26.3Very low26.2Very low110 Ų110140.7 Ų140.771%0.71475%0.745SS**  trans-117.6163.3141.20.621.6000110.9S1383S1383-P1385 WeakPolarHBondContact O-CD 3.42Å
1386P27.3Very low26.2Very low116 Ų116146.7 Ų146.775%0.75377%0.771SS**  trans-73.3142.1177.331-34.6000111.5Q1388P1386-Q1388 PolarHBondContact O-N 2.86Å
1387L29Very low26.3Very low178 Ų178144.9 Ų144.993%0.93277%0.774SS**  trans-71.3101.7169.1-74.9178.8000110.2M1389L1387-M1389 PolarHBondContact O-N 2.88Å
1388Q23.5Very low26.5Very low173 Ų173144.8 Ų144.881%0.80878%0.775SS**  trans-61.2113.3157.6-65.7173.1-18.100108.1P1386 T1390P1386-Q1388 PolarHBondContact O-N 2.86Å; Q1388-T1390 PolarHBondContact O-N 3.35Å
1389M26.1Very low26.9Very low181 Ų181141.2 Ų141.289%0.89276%0.755SS**  trans-83.8105.8160.6-162.175.578.300106.7L1387L1387-M1389 PolarHBondContact O-N 2.88Å
1390T27.3Very low27.4Very low123 Ų123143 Ų14376%0.75576%0.756SS**  trans-62.2139.5179.821.20000111.1Q1388 Y1392Q1388-T1390 PolarHBondContact O-N 3.35Å; T1390-Y1392 PolarHBondContact O-N 2.86Å
1391L22.5Very low27.6Very low138 Ų138142.7 Ų142.772%0.72376%0.755SS**  trans-71.9122.4174.9-65173.4000109.8Y1393L1391-Y1393 HydrophobicContact CD2-CE2 4.12Å
1392Y26.2Very low28Very low231 Ų231136 Ų13691%0.90673%0.73SS**  trans-126.3111.7151.6-116.4-91.3000106.9T1390T1390-Y1392 PolarHBondContact O-N 2.86Å
1393Y24Very low28.5Very low145 Ų145138.6 Ų138.657%0.56973%0.729SS**  trans-98.4132.4171-85.6-72.9000108.5L1391 T1397L1391-Y1393 HydrophobicContact CD2-CE2 4.12Å; Y1393-T1397 HydrophobicContact CD1-CG2 3.84Å; Y1393-T1397 HydrophobicContact CE1-CG2 3.69Å
1394D25.2Very low28.7Very low170 Ų170138.1 Ų138.191%0.90971%0.714SS**  trans-159.4128.8133-102-32.6000109.3
1395G26.5Very low28.7Very low65 Ų65138.2 Ų138.267%0.6771%0.712SS**SBendtrans88.3128.6-175.100000115.4
1396L26Very low29Very low184 Ų184139.3 Ų139.396%0.96371%0.712SS**  trans64.361.4172-54.8178000117
1397T26.7Very low29.3Very low89 Ų89141 Ų14155%0.54670%0.704SS.*  trans-70.3171.1162.542.70000113.4Y1393Y1393-T1397 HydrophobicContact CD1-CG2 3.84Å; Y1393-T1397 HydrophobicContact CE1-CG2 3.69Å
1398N31.8Very low29.3Very low114 Ų114137.5 Ų137.561%0.6169%0.692SS**  trans101.140.1165.7-53.1-17.3000119.1
1399L38.3Very low29.6Very low60 Ų60136 Ų13631%0.31469%0.689SS.*  trans-123.6113.6144-127.788.4000109.2L1416 R1417L1399-L1416 HydrophobicContact CD2-CD2 4.36Å; L1399-R1417 VanDerWaalsContact CD1-O 3.23Å; L1399-R1417 WeakPolarHBondContact CD1-O 3.33Å
1400E34.8Very low29.7Very low149 Ų149133.4 Ų133.470%0.69667%0.67SS**  trans-115.9133.2-176.7-174.2177-146.400111V1402E1400-V1402 HydrophobicContact CB-CG2 4.44Å; E1400-V1402 HydrophobicContact CG-CG2 4.06Å; E1400-V1402 PolarHBondContact O-N 3.33Å
1401R33.9Very low29.9Very low233 Ų233133.1 Ų133.188%0.87967%0.67SS**  trans-84.691.7174.3-84.5-173.1-74.2-149.7-4.9110.3
1402V34.4Very low30.2Very low52 Ų52133.8 Ų133.832%0.31568%0.675SS.*  trans-85.5111.8179.6-179.30000111E1400 H1404E1400-V1402 HydrophobicContact CB-CG2 4.44Å; E1400-V1402 HydrophobicContact CG-CG2 4.06Å; E1400-V1402 PolarHBondContact O-N 3.33Å; V1402-H1404 PolarHBondContact O-N 2.97Å
1403F33.7Very low30.4Very low172 Ų172126.1 Ų126.175%0.75465%0.652SS**  trans-71.6115.1161-84-98.8000109L1409F1403-L1409 HydrophobicContact CD1-CD2 4.34Å; F1403-L1409 HydrophobicContact CE1-CD1 4.47Å; F1403-L1409 HydrophobicContact CE1-CD2 3.92Å
1404H29.8Very low31Very low98 Ų98122.8 Ų122.845%0.45464%0.643SS.*  trans-97.4123.5175.3-132.2-77.1000109.9V1402 N1406 Y1407V1402-H1404 PolarHBondContact O-N 2.97Å; H1404-N1406 PolarHBondContact O-N 3.38Å; H1404-Y1407 HydrophobicContact CB-CD2 3.95Å; H1404-Y1407 HydrophobicContact CB-CE2 4.36Å
1405P30.4Very low31.2Very low122 Ų122119.1 Ų119.179%0.79262%0.623SS**THydrogen-bonded Turntrans-70.80.6-171.527.8-36.2000115.5
1406N31.3Very low31.6Very low132 Ų132116.8 Ų116.871%0.70660%0.595SS**THydrogen-bonded Turntrans-109.76.7-174-67.60.8000114H1404H1404-N1406 PolarHBondContact O-N 3.38Å
1407Y33.8Very low32Very low152 Ų152112.4 Ų112.460%0.59657%0.565SS**SBendtrans-125.8132.8177.4-59.8-63.6000111.1H1404H1404-Y1407 HydrophobicContact CB-CD2 3.95Å; H1404-Y1407 HydrophobicContact CB-CE2 4.36Å
1408P29.9Very low32.7Very low105 Ų105109.3 Ų109.368%0.68255%0.546SS*.PPolyproline II helixtrans-69.6141.3176.729.5-34.1000110.9Y1410P1408-Y1410 PolarHBondContact O-N 3.04Å
1409L28.1Very low33.1Very low140 Ų140108.3 Ų108.373%0.73354%0.537SS*.PPolyproline II helixtrans-71.7117.5-179.1-72.6163.1000111.4F1403F1403-L1409 HydrophobicContact CD1-CD2 4.34Å; F1403-L1409 HydrophobicContact CE1-CD1 4.47Å; F1403-L1409 HydrophobicContact CE1-CD2 3.92Å
1410Y29.4Very low33.7Very low128 Ų128107.8 Ų107.850%0.50253%0.534SS..PPolyproline II helixtrans-94.1137.2157.6-77.6-85.4000109.2P1408 D1412 A1504P1408-Y1410 PolarHBondContact O-N 3.04Å; Y1410-D1412 VanDerWaalsContact C-N 3.32Å; Y1410-D1412 PolarHBondContact O-N 2.87Å; Y1410-A1504 HydrophobicContact CE1-CB 3.71Å
1411P30.6Very low33.6Very low117 Ų117106 Ų10676%0.7654%0.535SS*.THydrogen-bonded Turntrans-70-24.6-17325-32.5000114.4
1412D29.4Very low33.5Very low152 Ų15298.9 Ų98.981%0.81351%0.514SS*.THydrogen-bonded Turntrans-115.114.2-167.2-54-59.8000114.4Y1410Y1410-D1412 VanDerWaalsContact C-N 3.32Å; Y1410-D1412 PolarHBondContact O-N 2.87Å
1413V31.4Very low33.4Very low70 Ų70103.2 Ų103.242%0.42453%0.534SS..  trans-108.9112.8-179.6-177.40000110.7L1415V1413-L1415 PolarHBondContact O-N 3.22Å
1414I34.9Very low33Very low74 Ų7499.5 Ų99.538%0.37953%0.527SS..  trans-83.5106.6177.3-51.3-179.3000109.5L1416I1414-L1416 HydrophobicContact CG2-CD2 3.76Å; I1414-L1416 HydrophobicContact CG2-CG 3.91Å; I1414-L1416 PolarHBondContact O-N 3.47Å
1415L29.7Very low32.8Very low93 Ų93102 Ų10249%0.48754%0.542SS..  trans-71.3116172.3-67.589.8000110V1413 L1535V1413-L1415 PolarHBondContact O-N 3.22Å; L1415-L1535 HydrophobicContact CB-CD1 3.95Å; L1415-L1535 HydrophobicContact CD2-CD1 3.63Å; L1415-L1535 HydrophobicContact CG-CD1 3.61Å
1416L35.9Very low32.7Very low16 Ų16102.6 Ų102.68%0.08454%0.539CS..EExtended strand (participates in β ladder)trans-116.6127.5-179.8-66.8178.3000112.9L1399 I1414 L1528 D1532L1399-L1416 HydrophobicContact CD2-CD2 4.36Å; I1414-L1416 HydrophobicContact CG2-CD2 3.76Å; I1414-L1416 HydrophobicContact CG2-CG 3.91Å; I1414-L1416 PolarHBondContact O-N 3.47Å; L1416-L1528 HydrophobicContact CD1-CD2 3.49Å; L1416-L1528 VanDerWaalsContact CD1-CD2 3.49Å; L1416-L1528 HydrophobicContact CD1-CG 4.03Å; L1416-D1532 HydrophobicContact CD1-CB 4.37Å; L1416-D1532 VanDerWaalsContact CD1-OD2 3.27Å; L1416-D1532 WeakPolarHBondContact CD1-OD2 3.29Å
1417R32.9Very low32.6Very low92 Ų92105.6 Ų105.635%0.34755%0.549SS..EExtended strand (participates in β ladder)trans-101.3109.4163.1-83.3-178.7154.9163-1.8108.8L1399 E1536L1399-R1417 VanDerWaalsContact CD1-O 3.23Å; L1399-R1417 WeakPolarHBondContact CD1-O 3.33Å; R1417-E1536 HydrophobicContact CG-CB 4.17Å; R1417-E1536 IonicContact CZ-OE1 3.14Å; R1417-E1536 IonicContact CZ-OE2 2.7Å; R1417-E1536 IonicContact NE-OE1 3.82Å; R1417-E1536 PolarHBondContact NE-OE1 3.36Å; R1417-E1536 IonicContact NE-OE2 2.66Å; R1417-E1536 PolarHBondContact NE-OE2 2.68Å; R1417-E1536 IonicContact NH2-OE1 2.8Å; R1417-E1536 IonicContact NH2-OE2 2.63Å; R1417-E1536 PolarHBondContact NH2-OE2 2.63Å
1418L43Very low32.4Very low25 Ų25107.2 Ų107.213%0.13156%0.562CS.*EExtended strand (participates in β ladder)trans-87.5112.7176.9-74.6166.6000110.5L1528 L1534 E1536 I1537 N1538L1418-L1528 HydrophobicContact CD1-CD1 4.32Å; L1418-L1528 HydrophobicContact CD1-CD2 4.45Å; L1418-L1528 HydrophobicContact CD2-CD1 3.98Å; L1418-L1528 HydrophobicContact CD2-CG 4.44Å; L1418-L1534 HydrophobicContact CD1-CD2 4.08Å; L1418-E1536 PolarHBondContact N-O 2.69Å; L1418-I1537 HydrophobicContact CB-CG1 4.29Å; L1418-I1537 HydrophobicContact CB-CG2 4.36Å; L1418-I1537 HydrophobicContact CD1-CD1 4.27Å; L1418-I1537 HydrophobicContact CD1-CG1 4.25Å; L1418-N1538 PolarHBondContact O-N 2.95Å; L1418-N1538 PolarHBondContact O-OD1 3.05Å; L1418-N1538 VanDerWaalsContact O-OD1 3.1Å
1419H39.4Very low32.3Very low92 Ų92109.6 Ų109.643%0.42657%0.569SS.*  trans-101.8106.6164.2-79.6103.5000110.1P1421H1419-P1421 WeakPolarHBondContact O-CD 3.45Å
1420I50.7Low32.5Very low50 Ų50110.7 Ų110.726%0.25657%0.574SS.*  trans-89.5110.2169.8-55.3172.3000107.3L1422 L1460 N1538 L1556 L1559I1420-L1422 PolarHBondContact O-N 3.23Å; I1420-L1460 HydrophobicContact CD1-CD1 4.17Å; I1420-L1460 HydrophobicContact CD1-CD2 4.46Å; I1420-N1538 PolarHBondContact N-OD1 3.35Å; I1420-N1538 PolarHBondContact O-ND2 3.49Å; I1420-L1556 HydrophobicContact CD1-CD2 3.81Å; I1420-L1559 HydrophobicContact CD1-CD1 4.31Å
1421P34Very low32.6Very low110 Ų110111.1 Ų111.171%0.71459%0.585SS**  trans-68.1121.9175.227.3-32.9000110.1H1419H1419-P1421 WeakPolarHBondContact O-CD 3.45Å
1422L31.2Very low32.5Very low85 Ų85111.5 Ų111.545%0.44558%0.58SS.*  trans-73.7130.9157-66.3176.7000107.4I1420 P1424 L1559I1420-L1422 PolarHBondContact O-N 3.23Å; L1422-P1424 WeakPolarHBondContact O-CD 3.32Å; L1422-L1559 HydrophobicContact CD1-CD2 3.81Å; L1422-L1559 HydrophobicContact CD2-CB 4.23Å; L1422-L1559 HydrophobicContact CD2-CD2 3.92Å; L1422-L1559 HydrophobicContact CG-CD2 3.88Å
1423I31.3Very low32.6Very low142 Ų142108.8 Ų108.873%0.72857%0.571SS**  trans-96.9102.1164.2-59.2175.4000106.6I1425I1423-I1425 HydrophobicContact CG2-CG1 4.42Å; I1423-I1425 PolarHBondContact O-N 2.99Å
1424P26.6Very low32.5Very low95 Ų95113.9 Ų113.962%0.61759%0.587SS**  trans-70.3123.916130.4-30.9000107.9L1422 N1426L1422-P1424 WeakPolarHBondContact O-CD 3.32Å; P1424-N1426 PolarHBondContact O-N 3.12Å; P1424-N1426 VanDerWaalsContact O-N 3.09Å
1425I26Very low32.2Very low149 Ų149117.5 Ų117.576%0.76461%0.608SS**  trans-86.374.2173.1-50.2175.7000107.4I1423I1423-I1425 HydrophobicContact CG2-CG1 4.42Å; I1423-I1425 PolarHBondContact O-N 2.99Å
1426N28.2Very low32Very low135 Ų135118.1 Ų118.172%0.72262%0.618SS**  trans-92116.4170.9-74.837000108.1P1424 E1428P1424-N1426 PolarHBondContact O-N 3.12Å; P1424-N1426 VanDerWaalsContact O-N 3.09Å; N1426-E1428 PolarHBondContact O-N 3.49Å; N1426-E1428 VanDerWaalsContact O-N 3.14Å
1427E28.2Very low31.7Very low195 Ų195124.8 Ų124.891%0.91165%0.653SS**  trans-72.498.4173.1-63.6-176.2143.900109.5
1428E30.2Very low31.4Very low187 Ų187127.2 Ų127.287%0.87467%0.673SS**  trans-143.889.2171.7-150.2172.1-10700111.5N1426N1426-E1428 PolarHBondContact O-N 3.49Å; N1426-E1428 VanDerWaalsContact O-N 3.14Å
1429N27.5Very low30.8Very low155 Ų155130.6 Ų130.683%0.82970%0.699SS**  trans-15881.1157.2-149.6-10.4000111
1430I31.5Very low30.3Very low163 Ų163130.5 Ų130.584%0.83671%0.709SS**  trans-162.8108.6145.5-91.7141.9000107.9
1431D31.5Very low29.4Very low136 Ų136134.4 Ų134.473%0.72773%0.73SS**  trans-133.3147.1132.5-121.6-10.1000103.7
1432N29.3Very low29.2Very low126 Ų126135.4 Ų135.467%0.67473%0.729SS**  cis-145.8-167.623-124.3-59000109
1433P31.2Very low29Very low94 Ų94136.8 Ų136.861%0.6174%0.741SS**  trans-128170.2-134.436.2-14.4000117.2
1434K28.7Very low28.9Very low178 Ų178135 Ų13577%0.77474%0.737SS**  trans42.898.6144-66.2169.9-176.6172.80118.9
1435N29.1Very low29Very low150 Ų150136.3 Ų136.380%0.80274%0.739SS**  179.1121.394.2-88.2-23000109.5
1436C25.1Very low29.1Very low106 Ų106131 Ų13172%0.71672%0.716SS**  79.6108.752.4-64.40000114.1
1437L30.4Very low29.2Very low156 Ų156131.2 Ų131.282%0.81772%0.717SS**  trans-152.3124.8138.3-140.281.5000110.2
1438N27Very low29.3Very low142 Ų142124.9 Ų124.976%0.75969%0.694SS**  trans37.1137.6146.5-54.5-4.9000120.3
1439S29.8Very low29.4Very low96 Ų96120 Ų12067%0.67168%0.679SS**  cis-166.1159.211.9-141.50000112.8
1440S29.3Very low29.4Very low91 Ų91117.4 Ų117.464%0.63666%0.664SS**  trans52.3129.2135.1-62.90000120.9
1441N31.6Very low29.3Very low132 Ų132111.5 Ų111.571%0.70664%0.635SS**  cis-160.6157.112-90.4-20.8000112.4
1442N28.9Very low29.1Very low130 Ų130110.8 Ų110.870%0.69564%0.636SS**  trans64.7103.6144.6-66.710.9000120
1443T27.5Very low29Very low114 Ų114105.4 Ų105.470%0.69961%0.608SS**  78.3140.275.360.70000114.3
1444T29.6Very low29Very low105 Ų105105 Ų10564%0.64461%0.608SS**  cis-175.1167.63.524.10000108
1445N27.6Very low29.1Very low123 Ų123104 Ų10466%0.65861%0.61SS**  cis-170.4178.6-26-101.617.6000107.6P1187P1187-N1445 WeakPolarHBondContact CD-O 3.38Å
1446S28.9Very low29.1Very low38 Ų38104.8 Ų104.827%0.26660%0.601SS.*  trans92.2177.917673.10000117.6P1186 P1187 H1188P1186-S1446 PolarHBondContact O-OG 2.9Å; P1187-S1446 CarbonylContact C-O 3.46Å; P1187-S1446 VanDerWaalsContact C-O 3.31Å; P1187-S1446 WeakPolarHBondContact CD-O 3.26Å; P1187-S1446 WeakPolarHBondContact CD-OG 3.5Å; P1187-S1446 CarbonylContact O-C 3.4Å; H1188-S1446 WeakPolarHBondContact CB-O 3.37Å
1447N29.6Very low29.9Very low139 Ų139107.5 Ų107.574%0.74360%0.604SS**  -151.1122.9-81.7-79.2-27.3000114.5P1187 H1188P1187-N1447 PolarHBondContact O-N 2.75Å; H1188-N1447 CarbonylContact O-C 3.44Å; H1188-N1447 VanDerWaalsContact O-C 3.27Å
1448S31Very low30.5Very low61 Ų61107.2 Ų107.243%0.42760%0.6SS.*  trans-157.2171.7153.3-0.20000111.5H1188 L1189H1188-S1448 PolarHBondContact O-N 3.34Å; H1188-S1448 PolarHBondContact O-OG 2.94Å; L1189-S1448 WeakPolarHBondContact CB-O 3.36Å; L1189-S1448 WeakPolarHBondContact O-CB 3.29Å; L1189-S1448 PolarHBondContact O-OG 2.84Å
1449P31.3Very low31.9Very low86 Ų86110.5 Ų110.556%0.55860%0.602SS**  trans-116.9148.8-168.638.5-28.1000116.2H1190H1190-P1449 CarbonylContact C-O 3.53Å
1450L28.7Very low34.2Very low100 Ų100108.9 Ų108.952%0.52459%0.585SS.*  trans-81.5137179.3-132.6151.5000109.6H1190 S1191H1190-L1450 VanDerWaalsContact CB-CA 3.41Å; H1190-L1450 HydrophobicContact CB-CB 3.57Å; H1190-L1450 HydrophobicContact CB-CD1 4.13Å; H1190-L1450 HydrophobicContact CB-CG 3.73Å; H1190-L1450 WeakPolarHBondContact ND1-CB 3.09Å; H1190-L1450 PolarHBondContact ND1-N 3Å; S1191-L1450 VanDerWaalsContact CB-CD2 3.41Å
1451T28.5Very low36.7Very low38 Ų38104.8 Ų104.823%0.23356%0.558CS.*  trans-116.7179.8174.384.80000113.9S1191 I1192 D1193S1191-T1451 WeakPolarHBondContact O-CG2 3.16Å; S1191-T1451 PolarHBondContact O-N 3.11Å; S1191-T1451 PolarHBondContact O-OG1 3.46Å; I1192-T1451 WeakPolarHBondContact CA-OG1 3.4Å; I1192-T1451 HydrophobicContact CD1-CG2 3.85Å; I1192-T1451 HydrophobicContact CG1-CG2 4.04Å; D1193-T1451 PolarHBondContact N-OG1 2.68Å; D1193-T1451 WeakPolarHBondContact OD2-CB 3.18Å; D1193-T1451 PolarHBondContact OD2-OG1 3.07Å
1452T27.6Very low39.2Very low122 Ų122100 Ų10075%0.74853%0.533SS*.  trans-147.736.2-141.447.30000112.5D1193D1193-T1452 PolarHBondContact OD2-N 2.64Å
1453T28.1Very low41.7Very low12 Ų1296.1 Ų96.17%0.07452%0.516CS..  trans-116.5109.7153.366.80000114.8D1193 H1194 R1195 R1456D1193-T1453 WeakPolarHBondContact CA-OG1 3.38Å; D1193-T1453 WeakPolarHBondContact CB-OG1 3.33Å; D1193-T1453 WeakPolarHBondContact OD1-CG2 3.21Å; D1193-T1453 PolarHBondContact OD1-OG1 3.44Å; D1193-T1453 VanDerWaalsContact OD1-OG1 3.05Å; D1193-T1453 PolarHBondContact OD2-N 2.91Å; H1194-T1453 VanDerWaalsContact CB-O 3.25Å; H1194-T1453 WeakPolarHBondContact CB-O 3.12Å; H1194-T1453 PolarHBondContact CD2-O 2.95Å; H1194-T1453 PolarHBondContact N-O 3Å; H1194-T1453 PolarHBondContact N-OG1 3.45Å; H1194-T1453 PolarHBondContact O-OG1 3.38Å; R1195-T1453 VanDerWaalsContact NH2-CG2 3.32Å; R1195-T1453 PolarHBondContact NH2-OG1 2.8Å; R1195-T1453 VanDerWaalsContact NH2-OG1 3.14Å; T1453-R1456 HydrophobicContact CG2-CB 4.26Å; T1453-R1456 HydrophobicContact CG2-CG 3.71Å
1454S29.8Very low44.6Very low87 Ų8792.6 Ų92.661%0.60849%0.494SS*.SBend-110.37.6118.6-145.60000112.6H1194H1194-S1454 PolarHBondContact CD2-OG 3.49Å; H1194-S1454 PolarHBondContact CE1-OG 3.01Å; H1194-S1454 PolarHBondContact NE2-OG 2.73Å
1455L32.3Very low47Very low157 Ų15789.9 Ų89.982%0.82247%0.472SS*.  trans-117.419.6-163.4-72175.8000117.3Q1457L1455-Q1457 PolarHBondContact O-N 2.81Å
1456R27.7Very low49.5Very low165 Ų16586.8 Ų86.862%0.62345%0.454SS*.SBendtrans-82.5102.2169.7-81.6-167.9-158.7-1707.2112.4T1453T1453-R1456 HydrophobicContact CG2-CB 4.26Å; T1453-R1456 HydrophobicContact CG2-CG 3.71Å
1457Q43.3Very low51.4Low164 Ų16485.6 Ų85.677%0.76645%0.446SS*.  trans73.856.2147.1-55.6-178.9-12.600118.8L1455 R1459L1455-Q1457 PolarHBondContact O-N 2.81Å; Q1457-R1459 PolarHBondContact O-N 2.88Å
1458M42Very low52.4Low149 Ų14985.4 Ų85.473%0.73444%0.444SS*.  trans-67.5115147-77.9-163176.500109.2
1459R57.6Low53.3Low212 Ų21283.9 Ų83.980%0.843%0.434SS*.  trans-72.1155.8170.7-69.1179.2173.9174.2-1.3109.9Q1457 G1461Q1457-R1459 PolarHBondContact O-N 2.88Å; R1459-G1461 PolarHBondContact O-N 3.11Å
1460L77.2Confident53.6Low61 Ų6184.7 Ų84.732%0.31944%0.442SS..  trans-54-22.2-178.1-168.166000114.1I1420 V1462 A1522I1420-L1460 HydrophobicContact CD1-CD1 4.17Å; I1420-L1460 HydrophobicContact CD1-CD2 4.46Å; L1460-V1462 VanDerWaalsContact C-N 3.35Å; L1460-V1462 HydrophobicContact CD2-CG2 4.14Å; L1460-V1462 HydrophobicContact CG-CG2 3.97Å; L1460-A1522 VanDerWaalsContact O-CB 3.29Å; L1460-A1522 WeakPolarHBondContact O-CB 3.3Å; L1460-A1522 PolarHBondContact O-N 2.68Å
1461G82.2Confident54Low6 Ų689.5 Ų89.56%0.06245%0.453CS..  trans78.317.1175.600000114.3R1459 I1517R1459-G1461 PolarHBondContact O-N 3.11Å; G1461-I1517 PolarHBondContact O-N 3.22Å
1462V83.8Confident54.5Low32 Ų3289.7 Ų89.719%0.19446%0.458CS..EExtended strand (participates in β ladder)trans-114.3135.6-178.9-1700000110L1460 V1464 V1513 A1522 L1528L1460-V1462 VanDerWaalsContact C-N 3.35Å; L1460-V1462 HydrophobicContact CD2-CG2 4.14Å; L1460-V1462 HydrophobicContact CG-CG2 3.97Å; V1462-V1464 HydrophobicContact CG1-CG1 3.94Å; V1462-V1513 HydrophobicContact CG1-CB 4.49Å; V1462-V1513 HydrophobicContact CG1-CG1 3.83Å; V1462-V1513 HydrophobicContact CG1-CG2 4.07Å; V1462-A1522 HydrophobicContact CG2-CB 3.29Å; V1462-L1528 HydrophobicContact CG2-CD1 3.93Å
1463S81.4Confident55.1Low47 Ų4788.2 Ų88.233%0.32945%0.453SS..EExtended strand (participates in β ladder)trans-105.2133.1164.4-171.80000109K1514 C1515S1463-K1514 PolarHBondContact O-N 3.02Å; S1463-C1515 WeakPolarHBondContact CB-O 2.88Å; S1463-C1515 PolarHBondContact N-O 3.44Å; S1463-C1515 PolarHBondContact O-N 3.03Å
1464V88.1Confident55.6Low41 Ų4193.8 Ų93.825%0.24848%0.476CS..EExtended strand (participates in β ladder)trans-127.6152.9-174.8-76.40000110.9V1462 V1511 I1512 L1534 L1549 L1552V1462-V1464 HydrophobicContact CG1-CG1 3.94Å; V1464-V1511 HydrophobicContact CB-CG1 3.78Å; V1464-V1511 HydrophobicContact CG1-CG1 3.94Å; V1464-V1511 HydrophobicContact CG2-CG1 4.47Å; V1464-I1512 WeakPolarHBondContact CA-O 3.22Å; V1464-L1534 HydrophobicContact CG1-CD1 3.59Å; V1464-L1549 HydrophobicContact CB-CD1 4.26Å; V1464-L1549 HydrophobicContact CG2-CD1 3.54Å; V1464-L1552 HydrophobicContact CG1-CD2 4.37Å; V1464-L1552 HydrophobicContact CG2-CD2 4.01Å
1465R79.5Confident56.2Low48 Ų4894.5 Ų94.518%0.18147%0.473CS..EExtended strand (participates in β ladder)trans-129.5163.5166.768.3158.5-160.2174.24.3110.5D1263 V1511 I1512D1263-R1465 IonicContact OD1-CZ 3.54Å; D1263-R1465 IonicContact OD1-NH2 3.22Å; D1263-R1465 PolarHBondContact OD1-NH2 3.04Å; D1263-R1465 IonicContact OD2-CZ 2.73Å; D1263-R1465 VanDerWaalsContact OD2-CZ 3.25Å; D1263-R1465 IonicContact OD2-NH1 3.44Å; D1263-R1465 PolarHBondContact OD2-NH1 3.05Å; D1263-R1465 IonicContact OD2-NH2 3.31Å; D1263-R1465 PolarHBondContact OD2-NH2 3.34Å; R1465-V1511 CarbonylContact O-C 3.53Å; R1465-V1511 WeakPolarHBondContact O-CA 3.48Å; R1465-I1512 HydrophobicContact CG-CB 4.48Å; R1465-I1512 PolarHBondContact N-O 3.42Å; R1465-I1512 PolarHBondContact O-N 2.86Å
1466E81.5Confident56.6Low58 Ų5892.3 Ų92.327%0.27146%0.462SS..EExtended strand (participates in β ladder)trans-77149.9157.8-62.7-178.3147.600109N1468 N1547 P1548 L1549E1466-N1468 PolarHBondContact O-N 2.91Å; E1466-N1547 PolarHBondContact OE1-OD1 2.77Å; E1466-P1548 HydrophobicContact CG-CG 4.43Å; E1466-P1548 WeakPolarHBondContact OE1-CD 3.3Å; E1466-L1549 HydrophobicContact CG-CB 3.45Å; E1466-L1549 VanDerWaalsContact CG-CB 3.45Å; E1466-L1549 HydrophobicContact CG-CD2 4.04Å; E1466-L1549 HydrophobicContact CG-CG 4.32Å; E1466-L1549 WeakPolarHBondContact OE1-CB 3.31Å; E1466-L1549 PolarHBondContact OE1-N 3.28Å
1467S68.8Low57.1Low13 Ų1390 Ų909%0.09146%0.458CS..  trans-71.9118.5166.8440000108.8S1469 S1506 G1509 G1510S1467-S1469 PolarHBondContact O-N 3.34Å; S1467-S1506 PolarHBondContact OG-OG 3.32Å; S1467-G1509 WeakPolarHBondContact OG-CA 3.32Å; S1467-G1510 PolarHBondContact N-O 3.2Å; S1467-G1510 PolarHBondContact OG-N 3.46Å; S1467-G1510 PolarHBondContact OG-O 2.92Å
1468N50.3Low57Low134 Ų13487.2 Ų87.272%0.71745%0.448SS*.  trans-77.660.1-177.7-77.96.7000111.4E1466 S1470E1466-N1468 PolarHBondContact O-N 2.91Å; N1468-S1470 PolarHBondContact O-N 2.98Å
1469S48.8Very low57.1Low30 Ų3082.9 Ų82.921%0.2143%0.432CS..  trans-70.882.7171.9-168.80000109.9S1467 R1471 A1472 S1506S1467-S1469 PolarHBondContact O-N 3.34Å; S1469-R1471 PolarHBondContact O-N 3.33Å; S1469-A1472 PolarHBondContact O-N 3Å; S1469-S1506 VanDerWaalsContact CB-O 3.31Å; S1469-S1506 WeakPolarHBondContact CB-O 3.4Å; S1469-S1506 PolarHBondContact OG-O 3.49Å
1470S39.3Very low56.1Low103 Ų10380 Ų8072%0.7243%0.428SS*.THydrogen-bonded Turntrans-63.54.7175.954.60000114.2N1468N1468-S1470 PolarHBondContact O-N 2.98Å
1471R37.1Very low54.2Low200 Ų20083.2 Ų83.276%0.75545%0.445SS*.THydrogen-bonded Turntrans-96.5-27168.8-80.9-178.4142.9104.7-3.9113.9S1469 S1473 K1474 L1475S1469-R1471 PolarHBondContact O-N 3.33Å; R1471-S1473 PolarHBondContact O-N 2.93Å; R1471-K1474 PolarHBondContact O-N 2.83Å; R1471-L1475 PolarHBondContact O-N 3.35Å
1472A38.8Very low52.1Low43 Ų4387.6 Ų87.636%0.35547%0.471SS..Hα-helixtrans-63-43.8-172.200000112.6S1469 K1474S1469-A1472 PolarHBondContact O-N 3Å; A1472-K1474 VanDerWaalsContact C-N 3.31Å; A1472-K1474 PolarHBondContact O-N 2.92Å
1473S38.5Very low50Low90 Ų9093.5 Ų93.563%0.62950%0.5SS*.Hα-helixtrans-63.2-36.4172.247.60000112.6R1471 N1476R1471-S1473 PolarHBondContact O-N 2.93Å; S1473-N1476 PolarHBondContact O-N 3.4Å
1474K39.9Very low47.8Very low130 Ų130100.6 Ų100.657%0.56553%0.525SS*.Hα-helixtrans-78-23.5-175.8-150.2152.8-163.2164.60113.8R1471 A1472 N1476 E1477 L1478R1471-K1474 PolarHBondContact O-N 2.83Å; A1472-K1474 VanDerWaalsContact C-N 3.31Å; A1472-K1474 PolarHBondContact O-N 2.92Å; K1474-N1476 VanDerWaalsContact C-N 3.27Å; K1474-E1477 PolarHBondContact O-N 2.88Å; K1474-L1478 PolarHBondContact O-N 3.03Å; K1474-L1478 VanDerWaalsContact O-N 3.16Å
1475L41.7Very low45Very low102 Ų102106.5 Ų106.553%0.53455%0.554SS.*Hα-helixtrans-65.8-30.8167.7-97.5163000112.2R1471 L1478 S1479R1471-L1475 PolarHBondContact O-N 3.35Å; L1475-L1478 PolarHBondContact O-N 2.8Å; L1475-S1479 PolarHBondContact O-N 2.71Å
1476N41.5Very low42.7Very low110 Ų110115.9 Ų115.959%0.58859%0.589SS**Hα-helixtrans-79-17.4177.4-127.45.8000113.5S1473 K1474 S1479S1473-N1476 PolarHBondContact O-N 3.4Å; K1474-N1476 VanDerWaalsContact C-N 3.27Å; N1476-S1479 PolarHBondContact O-OG 3.12Å; N1476-S1479 VanDerWaalsContact O-OG 3.08Å; N1476-S1479 PolarHBondContact OD1-OG 2.91Å
1477E36.8Very low40.3Very low116 Ų116119.2 Ų119.254%0.54261%0.614SS.*Hα-helixtrans-79.9-33.3164.4-65.8-175.6125.200111.6K1474 N1481K1474-E1477 PolarHBondContact O-N 2.88Å; E1477-N1481 PolarHBondContact O-N 2.74Å; E1477-N1481 PolarHBondContact O-ND2 2.95Å
1478L41.7Very low38.7Very low106 Ų106126 Ų12656%0.55565%0.649SS**Hα-helixtrans-71.5-34.8176.5-111.470.4000113K1474 L1475 Q1480 N1481 T1482K1474-L1478 PolarHBondContact O-N 3.03Å; K1474-L1478 VanDerWaalsContact O-N 3.16Å; L1475-L1478 PolarHBondContact O-N 2.8Å; L1478-Q1480 VanDerWaalsContact C-N 3.28Å; L1478-Q1480 PolarHBondContact O-N 2.57Å; L1478-N1481 PolarHBondContact O-N 3.41Å; L1478-T1482 PolarHBondContact O-N 3Å; L1478-T1482 PolarHBondContact O-OG1 3.18Å
1479S43.5Very low37.8Very low58 Ų58128.8 Ų128.841%0.40666%0.658SS.*Hα-helixtrans-65-29.9177.263.70000112.9L1475 N1476 T1482L1475-S1479 PolarHBondContact O-N 2.71Å; N1476-S1479 PolarHBondContact O-OG 3.12Å; N1476-S1479 VanDerWaalsContact O-OG 3.08Å; N1476-S1479 PolarHBondContact OD1-OG 2.91Å; S1479-T1482 PolarHBondContact O-OG1 3.4Å
1480Q38.6Very low37.1Very low153 Ų153135 Ų13572%0.71569%0.688SS**Hα-helixtrans-81.6-24176.7-62.9-176.117.700113L1478L1478-Q1480 VanDerWaalsContact C-N 3.28Å; L1478-Q1480 PolarHBondContact O-N 2.57Å
1481N36.3Very low36.9Very low127 Ų127139.4 Ų139.468%0.67969%0.69SS**Hα-helixtrans-94.6-3.2180-75.9-73.3000114.5E1477 L1478 I1483E1477-N1481 PolarHBondContact O-N 2.74Å; E1477-N1481 PolarHBondContact O-ND2 2.95Å; L1478-N1481 PolarHBondContact O-N 3.41Å; N1481-I1483 VanDerWaalsContact C-N 3.35Å; N1481-I1483 PolarHBondContact O-N 3.01Å
1482T38.1Very low36.6Very low98 Ų98137.3 Ų137.360%0.60169%0.69SS**  trans-87.25.4-176.928.50000114.9L1478 S1479 K1484L1478-T1482 PolarHBondContact O-N 3Å; L1478-T1482 PolarHBondContact O-OG1 3.18Å; S1479-T1482 PolarHBondContact O-OG1 3.4Å; T1482-K1484 VanDerWaalsContact C-N 3.33Å; T1482-K1484 PolarHBondContact O-N 3.06Å
1483I39Very low36.5Very low156 Ų156142.7 Ų142.780%0.871%0.713SS**THydrogen-bonded Turntrans-93.850.8170.5-41.6-178.3000111.1N1481N1481-I1483 VanDerWaalsContact C-N 3.35Å; N1481-I1483 PolarHBondContact O-N 3.01Å
1484K35.3Very low36.5Very low196 Ų196145.5 Ų145.585%0.85272%0.716SS**THydrogen-bonded Turntrans-157.72171.2-121163.7-171.3174.20117.9T1482T1482-K1484 VanDerWaalsContact C-N 3.33Å; T1482-K1484 PolarHBondContact O-N 3.06Å
1485L31Very low36.4Very low165 Ų165145 Ų14586%0.86472%0.718SS**  trans-123.388.1176.9-67.6175000110.7
1486R29.4Very low35.9Very low245 Ų245145 Ų14593%0.92572%0.723SS**  trans-135.769.5171.5-84.7-163.7175.2-153.61.5111.5
1487T32.5Very low35.4Very low128 Ų128143.6 Ų143.679%0.78572%0.721SS**  trans-154.8150.7159.342.10000108.4
1488N34Very low35.2Very low157 Ų157147.3 Ų147.384%0.8474%0.736SS**  trans88.476.6177.4-51.73.1000115.4D1490N1488-D1490 PolarHBondContact O-N 3Å
1489E31.4Very low34.8Very low192 Ų192145 Ų14590%0.89773%0.726SS**  trans-74.294.1160.9-61.3174.213700109.4
1490D35Very low34.1Very low159 Ų159149.1 Ų149.185%0.8574%0.744SS**  trans-165.722.4165.4-113.2-20.9000116.6N1488N1488-D1490 PolarHBondContact O-N 3Å
1491R35.2Very low33.9Very low197 Ų197146.3 Ų146.374%0.74374%0.741SS**  trans-127.417.9177-59-167.481.8142.84.3115.2N1493R1491-N1493 VanDerWaalsContact C-N 3.27Å; R1491-N1493 PolarHBondContact O-N 2.75Å
1492M31Very low33.7Very low155 Ų155150.4 Ų150.476%0.76475%0.749SS**THydrogen-bonded Turntrans-75.71.8-172.9-77.5-64.3-67.800116.3
1493N36.2Very low33.6Very low156 Ų156150.4 Ų150.483%0.83474%0.744SS**THydrogen-bonded Turntrans-119.216.5-178.1-82.1-31000114.9R1491R1491-N1493 VanDerWaalsContact C-N 3.27Å; R1491-N1493 PolarHBondContact O-N 2.75Å
1494Q37.7Very low33.5Very low149 Ų149145.6 Ų145.670%0.69673%0.728SS**SBendtrans-131.915.1178.2-149.4172.249.500114.2
1495I38.1Very low33.5Very low120 Ų120141.7 Ų141.762%0.61572%0.716SS**SBendtrans-107.3-12.3177.8-65.4175.4000111.3S1497I1495-S1497 PolarHBondContact O-N 3.46Å
1496T31.5Very low34.1Very low103 Ų103135.5 Ų135.563%0.63269%0.686SS**THydrogen-bonded Turntrans-92.123.2-170.744.90000115
1497S30.6Very low34.8Very low79 Ų79128.1 Ų128.155%0.55267%0.665SS**THydrogen-bonded Turntrans-141.614.4-177.577.30000115.7I1495I1495-S1497 PolarHBondContact O-N 3.46Å
1498F33.6Very low35.4Very low195 Ų195128.9 Ų128.986%0.85565%0.654SS**SBendtrans-134.812.3179.9-79.1-75.3000113.6
1499T32.1Very low36.4Very low57 Ų57122.9 Ų122.935%0.3563%0.629SS.*  trans-105.2-13.1-170.5410000114.9S1501 I1503T1499-S1501 PolarHBondContact O-N 2.84Å; T1499-I1503 HydrophobicContact CG2-CD1 3.98Å; T1499-I1503 VanDerWaalsContact O-CD1 3.25Å; T1499-I1503 WeakPolarHBondContact O-CD1 3.31Å; T1499-I1503 WeakPolarHBondContact O-CG1 3.46Å
1500D29.8Very low38.5Very low144 Ų144113.8 Ų113.877%0.7759%0.587SS**THydrogen-bonded Turntrans-96.518.6-153.9-57.5-3.1000114.4
1501S33.3Very low40.9Very low94 Ų94106.2 Ų106.266%0.65755%0.547SS*.THydrogen-bonded Turntrans-140-5.8-176.3-173.90000116T1499T1499-S1501 PolarHBondContact O-N 2.84Å
1502Y32.1Very low43.4Very low213 Ų21398 Ų9884%0.83552%0.517SS*.SBendtrans-141.121.2-171.9-73.6-74.4000114.7
1503I36.4Very low46Very low98 Ų9890.7 Ų90.750%0.50348%0.481SS..  trans-117.123.4-176.9-46.7-177.3000111.2T1499 I1507T1499-I1503 HydrophobicContact CG2-CD1 3.98Å; T1499-I1503 VanDerWaalsContact O-CD1 3.25Å; T1499-I1503 WeakPolarHBondContact O-CD1 3.31Å; T1499-I1503 WeakPolarHBondContact O-CG1 3.46Å; I1503-I1507 HydrophobicContact CG2-CD1 3.77Å; I1503-I1507 HydrophobicContact CG2-CG1 4.44Å
1504A36.8Very low48.2Very low56 Ų5686.6 Ų86.646%0.46346%0.456SS..  trans-91-30.1172.900000113.3Y1410 S1506Y1410-A1504 HydrophobicContact CE1-CB 3.71Å; A1504-S1506 PolarHBondContact O-N 2.98Å
1505D35Very low50.2Low114 Ų11480.1 Ų80.161%0.6143%0.427SS*.SBendtrans-73.786.8-176.8-74.33.4000111K1268K1268-D1505 IonicContact NZ-OD2 3.11Å; K1268-D1505 PolarHBondContact NZ-OD2 3.42Å
1506S44.7Very low52.4Low34 Ų3475.3 Ų75.324%0.23840%0.402CS..  trans50.776.6161.7-178.70000116.2S1467 S1469 A1504 Y1508S1467-S1506 PolarHBondContact OG-OG 3.32Å; S1469-S1506 VanDerWaalsContact CB-O 3.31Å; S1469-S1506 WeakPolarHBondContact CB-O 3.4Å; S1469-S1506 PolarHBondContact OG-O 3.49Å; A1504-S1506 PolarHBondContact O-N 2.98Å; S1506-Y1508 VanDerWaalsContact C-N 3.25Å; S1506-Y1508 PolarHBondContact OG-O 3.43Å
1507I44.1Very low54.6Low91 Ų9175.1 Ų75.147%0.46740%0.396SS..SBendtrans-65.5-35.1156.3-72.3178.7000110.4I1503I1503-I1507 HydrophobicContact CG2-CD1 3.77Å; I1503-I1507 HydrophobicContact CG2-CG1 4.44Å
1508Y45.5Very low56.8Low144 Ų14475.9 Ų75.957%0.56539%0.391SS*.SBendtrans-102.3122.4177.9-52.7-69.5000109.3S1506 G1510 N1544S1506-Y1508 VanDerWaalsContact C-N 3.25Å; S1506-Y1508 PolarHBondContact OG-O 3.43Å; Y1508-G1510 PolarHBondContact O-N 2.71Å; Y1508-G1510 VanDerWaalsContact O-N 3.08Å; Y1508-N1544 WeakPolarHBondContact CD1-OD1 3.28Å
1509G53.5Low58.7Low30 Ų3067.8 Ų67.831%0.30936%0.363SS..  trans-78.887.3-177.700000112S1467S1467-G1509 WeakPolarHBondContact OG-CA 3.32Å
1510G75.9Confident60.8Low2 Ų265.8 Ų65.82%0.02135%0.353CS..  trans-96-178.5175.700000114.9S1467 Y1508 E1533S1467-G1510 PolarHBondContact N-O 3.2Å; S1467-G1510 PolarHBondContact OG-N 3.46Å; S1467-G1510 PolarHBondContact OG-O 2.92Å; Y1508-G1510 PolarHBondContact O-N 2.71Å; Y1508-G1510 VanDerWaalsContact O-N 3.08Å; G1510-E1533 WeakPolarHBondContact CA-OE1 2.99Å
1511V85.5Confident63Low0 Ų060.5 Ų60.50%033%0.33CS..EExtended strand (participates in β ladder)trans-100.1124.6-176.9174.80000110.3V1464 R1465 E1533 L1534 L1542 P1548 L1549 L1552V1464-V1511 HydrophobicContact CB-CG1 3.78Å; V1464-V1511 HydrophobicContact CG1-CG1 3.94Å; V1464-V1511 HydrophobicContact CG2-CG1 4.47Å; R1465-V1511 CarbonylContact O-C 3.53Å; R1465-V1511 WeakPolarHBondContact O-CA 3.48Å; V1511-E1533 WeakPolarHBondContact O-CA 3.31Å; V1511-L1534 HydrophobicContact CB-CB 4.45Å; V1511-L1534 HydrophobicContact CG1-CB 4.45Å; V1511-L1534 HydrophobicContact CG1-CD1 4.24Å; V1511-L1534 PolarHBondContact O-N 3.01Å; V1511-L1542 HydrophobicContact CB-CD1 4.45Å; V1511-L1542 HydrophobicContact CG2-CD1 4.42Å; V1511-P1548 HydrophobicContact CG2-CB 3.75Å; V1511-P1548 HydrophobicContact CG2-CG 3.81Å; V1511-L1549 HydrophobicContact CG1-CD1 4.42Å; V1511-L1549 HydrophobicContact CG2-CB 4.41Å; V1511-L1552 HydrophobicContact CG1-CD2 3.83Å
1512I86.9Confident65.3Low25 Ų2556.2 Ų56.213%0.12830%0.3CS..EExtended strand (participates in β ladder)trans-112.2137.8-176.4-61.4175.2000110.7V1464 R1465 K1514 D1532 E1533V1464-I1512 WeakPolarHBondContact CA-O 3.22Å; R1465-I1512 HydrophobicContact CG-CB 4.48Å; R1465-I1512 PolarHBondContact N-O 3.42Å; R1465-I1512 PolarHBondContact O-N 2.86Å; I1512-K1514 PolarHBondContact O-N 3.03Å; I1512-D1532 CarbonylContact C-O 3.55Å; I1512-D1532 WeakPolarHBondContact CA-O 3.27Å; I1512-E1533 HydrophobicContact CG1-CG 4.46Å
1513V87Confident67.8Low0 Ų049.2 Ų49.20%028%0.275CS..EExtended strand (participates in β ladder)trans-67.3111.8171.3179.30000110V1462 I1516 L1528 Q1529 G1531 D1532 L1534V1462-V1513 HydrophobicContact CG1-CB 4.49Å; V1462-V1513 HydrophobicContact CG1-CG1 3.83Å; V1462-V1513 HydrophobicContact CG1-CG2 4.07Å; V1513-I1516 HydrophobicContact CG1-CD1 4.2Å; V1513-I1516 HydrophobicContact CG1-CG1 3.77Å; V1513-L1528 HydrophobicContact CG2-CD2 4.09Å; V1513-Q1529 WeakPolarHBondContact CB-O 3.1Å; V1513-Q1529 VanDerWaalsContact CG1-O 3.23Å; V1513-Q1529 WeakPolarHBondContact CG1-O 3.05Å; V1513-G1531 PolarHBondContact O-N 2.79Å; V1513-D1532 HydrophobicContact CB-CB 4.38Å; V1513-D1532 HydrophobicContact CG2-CB 4.03Å; V1513-D1532 PolarHBondContact N-O 3.46Å; V1513-L1534 HydrophobicContact CG2-CD1 4.19Å; V1513-L1534 HydrophobicContact CG2-CD2 3.84Å; V1513-L1534 HydrophobicContact CG2-CG 3.99Å
1514K82.1Confident69.5Low71 Ų7149 Ų4931%0.30927%0.271SS..EExtended strand (participates in β ladder)trans-86-37.5-177.7177.6-178.6174.3-178.70112.7S1463 I1512 I1530S1463-K1514 PolarHBondContact O-N 3.02Å; I1512-K1514 PolarHBondContact O-N 3.03Å; K1514-I1530 WeakPolarHBondContact O-CG2 3.46Å
1515C79.6Confident71.7Confident13 Ų1349.8 Ų49.89%0.08827%0.267CS..EExtended strand (participates in β ladder)trans-160.3147.8-178.4-1730000109.3S1463S1463-C1515 WeakPolarHBondContact CB-O 2.88Å; S1463-C1515 PolarHBondContact N-O 3.44Å; S1463-C1515 PolarHBondContact O-N 3.03Å
1516I83.9Confident73.9Confident19 Ų1946.7 Ų46.710%0.09726%0.261CS..EExtended strand (participates in β ladder)trans-115.3127.8171.8-58-178.9000107V1513 E1518 A1522 H1523 L1528 I1530V1513-I1516 HydrophobicContact CG1-CD1 4.2Å; V1513-I1516 HydrophobicContact CG1-CG1 3.77Å; I1516-E1518 PolarHBondContact O-N 2.91Å; I1516-A1522 HydrophobicContact CG2-CB 4.02Å; I1516-H1523 HydrophobicContact CG2-CB 3.88Å; I1516-L1528 HydrophobicContact CD1-CB 3.81Å; I1516-L1528 WeakPolarHBondContact CD1-O 3.11Å; I1516-I1530 HydrophobicContact CG1-CG1 4.19Å
1517I78.5Confident75.7Confident99 Ų9951 Ų5151%0.50827%0.272SS..  trans-78.9116-174-57.4176.4000108.2G1461 G1519 G1520 H1523G1461-I1517 PolarHBondContact O-N 3.22Å; I1517-G1519 PolarHBondContact O-N 3.17Å; I1517-G1520 WeakPolarHBondContact O-CA 3.2Å; I1517-G1520 PolarHBondContact O-N 3.15Å; I1517-H1523 VanDerWaalsContact O-CB 3.23Å; I1517-H1523 WeakPolarHBondContact O-CB 3.35Å
1518E76.4Confident77.6Confident94 Ų9447.1 Ų47.144%0.43925%0.253SS..THydrogen-bonded Turntrans-47.1127.4174.1-68.7168.8-167.800110.9I1516 G1520I1516-E1518 PolarHBondContact O-N 2.91Å; E1518-G1520 PolarHBondContact O-N 2.94Å
1519G72.4Confident79.4Confident25 Ų2545.5 Ų45.526%0.25825%0.25SS..THydrogen-bonded Turntrans75.7-10.4-175.900000116.4I1517 H1523 K1524I1517-G1519 PolarHBondContact O-N 3.17Å; G1519-H1523 PolarHBondContact N-ND1 2.94Å; G1519-K1524 WeakPolarHBondContact O-CE 3.18Å
1520G77.5Confident80.7Confident15 Ų1546.5 Ų46.516%0.15525%0.248CC..SBendtrans-72.5164.5172.200000113.1I1517 E1518 A1522 H1523 K1524I1517-G1520 WeakPolarHBondContact O-CA 3.2Å; I1517-G1520 PolarHBondContact O-N 3.15Å; E1518-G1520 PolarHBondContact O-N 2.94Å; G1520-A1522 VanDerWaalsContact C-N 3.33Å; G1520-A1522 PolarHBondContact O-N 3.49Å; G1520-H1523 WeakPolarHBondContact O-CA 3.37Å; G1520-H1523 WeakPolarHBondContact O-CB 3.29Å; G1520-H1523 PolarHBondContact O-N 3.32Å; G1520-K1524 WeakPolarHBondContact O-CG 3.31Å; G1520-K1524 PolarHBondContact O-N 3.4Å
1521A75.1Confident80.9Confident34 Ų3447.9 Ų47.928%0.28126%0.262SS..Hα-helixtrans-55.8-40.1-16900000114.5K1524 D1525A1521-K1524 WeakPolarHBondContact O-CB 3.38Å; A1521-K1524 PolarHBondContact O-N 3.3Å; A1521-D1525 WeakPolarHBondContact O-CB 3.12Å; A1521-D1525 PolarHBondContact O-N 2.92Å
1522A83.2Confident80.9Confident4 Ų448.5 Ų48.53%0.03327%0.265CS..Hα-helixtrans-71.2-30.8175.300000114.2L1460 V1462 I1516 G1520 K1524 D1525 G1526 L1528L1460-A1522 VanDerWaalsContact O-CB 3.29Å; L1460-A1522 WeakPolarHBondContact O-CB 3.3Å; L1460-A1522 PolarHBondContact O-N 2.68Å; V1462-A1522 HydrophobicContact CG2-CB 3.29Å; I1516-A1522 HydrophobicContact CG2-CB 4.02Å; G1520-A1522 VanDerWaalsContact C-N 3.33Å; G1520-A1522 PolarHBondContact O-N 3.49Å; A1522-K1524 VanDerWaalsContact C-N 3.3Å; A1522-D1525 PolarHBondContact O-N 2.9Å; A1522-G1526 PolarHBondContact O-N 3.48Å; A1522-L1528 HydrophobicContact CB-CB 4.43Å; A1522-L1528 HydrophobicContact CB-CD1 3.72Å
1523H84.3Confident80.8Confident65 Ų6549.8 Ų49.830%0.30127%0.271SS..Hα-helixtrans-68.7-34169.1-179-80.2000111.1I1516 I1517 G1519 G1520I1516-H1523 HydrophobicContact CG2-CB 3.88Å; I1517-H1523 VanDerWaalsContact O-CB 3.23Å; I1517-H1523 WeakPolarHBondContact O-CB 3.35Å; G1519-H1523 PolarHBondContact N-ND1 2.94Å; G1520-H1523 WeakPolarHBondContact O-CA 3.37Å; G1520-H1523 WeakPolarHBondContact O-CB 3.29Å; G1520-H1523 PolarHBondContact O-N 3.32Å
1524K71.9Confident80.9Confident95 Ų9550.1 Ų50.141%0.41327%0.273SS..Hα-helixtrans-68.8-36.1175-68.4-161.3171.5-177.30112.7I1205 G1519 G1520 A1521 A1522I1205-K1524 HydrophobicContact CD1-CB 3.57Å; I1205-K1524 HydrophobicContact CD1-CD 4.08Å; I1205-K1524 HydrophobicContact CD1-CG 3.63Å; I1205-K1524 HydrophobicContact CG1-CB 4.32Å; I1205-K1524 HydrophobicContact CG1-CD 4.31Å; I1205-K1524 HydrophobicContact CG1-CG 3.86Å; G1519-K1524 WeakPolarHBondContact O-CE 3.18Å; G1520-K1524 WeakPolarHBondContact O-CG 3.31Å; G1520-K1524 PolarHBondContact O-N 3.4Å; A1521-K1524 WeakPolarHBondContact O-CB 3.38Å; A1521-K1524 PolarHBondContact O-N 3.3Å; A1522-K1524 VanDerWaalsContact C-N 3.3Å
1525D82.8Confident81Confident72 Ų7248.4 Ų48.439%0.38527%0.267SS..Hα-helixtrans-75.8-38.4177.4-175.9-86.7000112.8A1521 A1522 R1527A1521-D1525 WeakPolarHBondContact O-CB 3.12Å; A1521-D1525 PolarHBondContact O-N 2.92Å; A1522-D1525 PolarHBondContact O-N 2.9Å; D1525-R1527 PolarHBondContact O-N 3.23Å; D1525-R1527 VanDerWaalsContact OD1-CB 3.24Å; D1525-R1527 WeakPolarHBondContact OD1-CB 3.36Å; D1525-R1527 WeakPolarHBondContact OD1-CG 3.02Å; D1525-R1527 IonicContact OD1-CZ 3.43Å; D1525-R1527 PolarHBondContact OD1-N 2.57Å; D1525-R1527 IonicContact OD1-NE 2.89Å; D1525-R1527 PolarHBondContact OD1-NE 2.95Å; D1525-R1527 IonicContact OD1-NH2 2.74Å; D1525-R1527 IonicContact OD2-CZ 3.54Å; D1525-R1527 IonicContact OD2-NE 3.51Å; D1525-R1527 PolarHBondContact OD2-NE 2.96Å; D1525-R1527 IonicContact OD2-NH2 2.73Å; D1525-R1527 PolarHBondContact OD2-NH2 3.3Å
1526G80.9Confident81.1Confident48 Ų4848.8 Ų48.850%0.49527%0.267SS..  trans71.7-6.3172.200000116.3A1522A1522-G1526 PolarHBondContact O-N 3.48Å
1527R82.4Confident81.1Confident124 Ų12448 Ų4847%0.46826%0.264SS..  trans-81.2-28.7179.6-58.6177.5-71.5-175.3-3.1113.2D1525D1525-R1527 PolarHBondContact O-N 3.23Å; D1525-R1527 VanDerWaalsContact OD1-CB 3.24Å; D1525-R1527 WeakPolarHBondContact OD1-CB 3.36Å; D1525-R1527 WeakPolarHBondContact OD1-CG 3.02Å; D1525-R1527 IonicContact OD1-CZ 3.43Å; D1525-R1527 PolarHBondContact OD1-N 2.57Å; D1525-R1527 IonicContact OD1-NE 2.89Å; D1525-R1527 PolarHBondContact OD1-NE 2.95Å; D1525-R1527 IonicContact OD1-NH2 2.74Å; D1525-R1527 IonicContact OD2-CZ 3.54Å; D1525-R1527 IonicContact OD2-NE 3.51Å; D1525-R1527 PolarHBondContact OD2-NE 2.96Å; D1525-R1527 IonicContact OD2-NH2 2.73Å; D1525-R1527 PolarHBondContact OD2-NH2 3.3Å
1528L85.3Confident81Confident10 Ų1045.4 Ų45.45%0.05225%0.251CS..  trans-77.3141.1169.3-82.1159.2000110.4L1416 L1418 V1462 V1513 I1516 A1522 D1532 L1534L1416-L1528 HydrophobicContact CD1-CD2 3.49Å; L1416-L1528 VanDerWaalsContact CD1-CD2 3.49Å; L1416-L1528 HydrophobicContact CD1-CG 4.03Å; L1418-L1528 HydrophobicContact CD1-CD1 4.32Å; L1418-L1528 HydrophobicContact CD1-CD2 4.45Å; L1418-L1528 HydrophobicContact CD2-CD1 3.98Å; L1418-L1528 HydrophobicContact CD2-CG 4.44Å; V1462-L1528 HydrophobicContact CG2-CD1 3.93Å; V1513-L1528 HydrophobicContact CG2-CD2 4.09Å; I1516-L1528 HydrophobicContact CD1-CB 3.81Å; I1516-L1528 WeakPolarHBondContact CD1-O 3.11Å; A1522-L1528 HydrophobicContact CB-CB 4.43Å; A1522-L1528 HydrophobicContact CB-CD1 3.72Å; L1528-D1532 WeakPolarHBondContact CA-OD2 3.16Å; L1528-L1534 HydrophobicContact CD2-CD2 3.83Å
1529Q82.6Confident80.9Confident110 Ų11043.3 Ų43.351%0.51425%0.254SS..  trans-130.5166.6176.2-56.3-165.931.900112.1V1513 G1531 D1532V1513-Q1529 WeakPolarHBondContact CB-O 3.1Å; V1513-Q1529 VanDerWaalsContact CG1-O 3.23Å; V1513-Q1529 WeakPolarHBondContact CG1-O 3.05Å; Q1529-G1531 PolarHBondContact O-N 3.44Å; Q1529-D1532 PolarHBondContact N-OD2 2.95Å
1530I80.6Confident81.3Confident51 Ų5144.4 Ų44.426%0.26226%0.256SS..THydrogen-bonded Turntrans-78.9120.1176.2-61.1176.8000108.4I1260 I1267 V1274 K1514 I1516I1260-I1530 HydrophobicContact CB-CG2 4.44Å; I1267-I1530 HydrophobicContact CD1-CG2 4.37Å; V1274-I1530 HydrophobicContact CG2-CD1 3.74Å; K1514-I1530 WeakPolarHBondContact O-CG2 3.46Å; I1516-I1530 HydrophobicContact CG1-CG1 4.19Å
1531G79.4Confident81.5Confident31 Ų3147.3 Ų47.332%0.3227%0.27SS..THydrogen-bonded Turntrans114.9-19.7-173.100000114.1V1513 Q1529V1513-G1531 PolarHBondContact O-N 2.79Å; Q1529-G1531 PolarHBondContact O-N 3.44Å
1532D86Confident81.8Confident13 Ų1345.8 Ų45.87%0.0726%0.257CS..  trans-57.9138.6179.1-67.7-7.2000112L1416 I1512 V1513 L1528 Q1529L1416-D1532 HydrophobicContact CD1-CB 4.37Å; L1416-D1532 VanDerWaalsContact CD1-OD2 3.27Å; L1416-D1532 WeakPolarHBondContact CD1-OD2 3.29Å; I1512-D1532 CarbonylContact C-O 3.55Å; I1512-D1532 WeakPolarHBondContact CA-O 3.27Å; V1513-D1532 HydrophobicContact CB-CB 4.38Å; V1513-D1532 HydrophobicContact CG2-CB 4.03Å; V1513-D1532 PolarHBondContact N-O 3.46Å; L1528-D1532 WeakPolarHBondContact CA-OD2 3.16Å; Q1529-D1532 PolarHBondContact N-OD2 2.95Å
1533E85.5Confident81.6Confident52 Ų5247.4 Ų47.424%0.24327%0.266CS..EExtended strand (participates in β ladder)trans-93.1125170.8-164.5177.4173.100110.4G1510 V1511 I1512 L1535G1510-E1533 WeakPolarHBondContact CA-OE1 2.99Å; V1511-E1533 WeakPolarHBondContact O-CA 3.31Å; I1512-E1533 HydrophobicContact CG1-CG 4.46Å; E1533-L1535 HydrophobicContact CB-CD2 4.22Å; E1533-L1535 HydrophobicContact CG-CD2 3.82Å; E1533-L1535 PolarHBondContact O-N 3.27Å
1534L87.8Confident80.9Confident7 Ų749.2 Ų49.24%0.03728%0.279CS..EExtended strand (participates in β ladder)trans-85.897.8179.4-57.7-176.3000109.1L1418 V1464 V1511 V1513 L1528 I1537 L1542 L1552L1418-L1534 HydrophobicContact CD1-CD2 4.08Å; V1464-L1534 HydrophobicContact CG1-CD1 3.59Å; V1511-L1534 HydrophobicContact CB-CB 4.45Å; V1511-L1534 HydrophobicContact CG1-CB 4.45Å; V1511-L1534 HydrophobicContact CG1-CD1 4.24Å; V1511-L1534 PolarHBondContact O-N 3.01Å; V1513-L1534 HydrophobicContact CG2-CD1 4.19Å; V1513-L1534 HydrophobicContact CG2-CD2 3.84Å; V1513-L1534 HydrophobicContact CG2-CG 3.99Å; L1528-L1534 HydrophobicContact CD2-CD2 3.83Å; L1534-I1537 HydrophobicContact CB-CD1 4.32Å; L1534-I1537 HydrophobicContact CD1-CD1 4.08Å; L1534-L1542 HydrophobicContact CB-CD1 4.17Å; L1534-L1542 WeakPolarHBondContact O-CB 3.24Å; L1534-L1542 WeakPolarHBondContact O-CD1 3.46Å; L1534-L1552 HydrophobicContact CD1-CD2 4.29Å
1535L84.2Confident81.1Confident36 Ų3645.9 Ų45.919%0.18827%0.268CS..EExtended strand (participates in β ladder)trans-84.5-32.5-175.8-54.3177.3000112.6L1415 E1533 L1542 V1543L1415-L1535 HydrophobicContact CB-CD1 3.95Å; L1415-L1535 HydrophobicContact CD2-CD1 3.63Å; L1415-L1535 HydrophobicContact CG-CD1 3.61Å; E1533-L1535 HydrophobicContact CB-CD2 4.22Å; E1533-L1535 HydrophobicContact CG-CD2 3.82Å; E1533-L1535 PolarHBondContact O-N 3.27Å; L1535-L1542 PolarHBondContact O-N 2.82Å; L1535-V1543 HydrophobicContact CB-CG2 3.85Å; L1535-V1543 HydrophobicContact CD2-CG2 3.57Å; L1535-V1543 HydrophobicContact CG-CG2 4.27Å
1536E82.9Confident80.6Confident20 Ų2050 Ų509%0.09329%0.29CS..EExtended strand (participates in β ladder)trans-156138.6-177.7-169.6-167.5114.100112.4R1417 L1418 V1540 V1541R1417-E1536 HydrophobicContact CG-CB 4.17Å; R1417-E1536 IonicContact CZ-OE1 3.14Å; R1417-E1536 IonicContact CZ-OE2 2.7Å; R1417-E1536 IonicContact NE-OE1 3.82Å; R1417-E1536 PolarHBondContact NE-OE1 3.36Å; R1417-E1536 IonicContact NE-OE2 2.66Å; R1417-E1536 PolarHBondContact NE-OE2 2.68Å; R1417-E1536 IonicContact NH2-OE1 2.8Å; R1417-E1536 IonicContact NH2-OE2 2.63Å; R1417-E1536 PolarHBondContact NH2-OE2 2.63Å; L1418-E1536 PolarHBondContact N-O 2.69Å; E1536-V1540 WeakPolarHBondContact CA-O 2.98Å; E1536-V1541 HydrophobicContact CG-CG2 4.07Å
1537I83.2Confident80.5Confident4 Ų452 Ų522%0.02129%0.29CS..EExtended strand (participates in β ladder)trans-136.5121.5-179.3-58.8-179.3000109.9L1418 L1534 G1539 V1540 L1542 L1552 V1555L1418-I1537 HydrophobicContact CB-CG1 4.29Å; L1418-I1537 HydrophobicContact CB-CG2 4.36Å; L1418-I1537 HydrophobicContact CD1-CD1 4.27Å; L1418-I1537 HydrophobicContact CD1-CG1 4.25Å; L1534-I1537 HydrophobicContact CB-CD1 4.32Å; L1534-I1537 HydrophobicContact CD1-CD1 4.08Å; I1537-G1539 VanDerWaalsContact C-N 3.3Å; I1537-G1539 PolarHBondContact O-N 2.71Å; I1537-V1540 PolarHBondContact N-O 3.43Å; I1537-V1540 WeakPolarHBondContact O-CB 2.94Å; I1537-V1540 PolarHBondContact O-N 2.87Å; I1537-L1542 HydrophobicContact CD1-CD1 3.84Å; I1537-L1542 HydrophobicContact CG1-CD1 4.17Å; I1537-L1552 HydrophobicContact CD1-CD1 3.5Å; I1537-L1552 VanDerWaalsContact CD1-CD1 3.5Å; I1537-L1552 HydrophobicContact CD1-CD2 4.18Å; I1537-L1552 HydrophobicContact CD1-CG 4.36Å; I1537-V1555 HydrophobicContact CG2-CG1 4.32Å
1538N76.1Confident80.5Confident44 Ų4446.5 Ų46.524%0.23527%0.27CS..THydrogen-bonded Turntrans45.749.9-174.4-74.540.7000112.6L1418 I1420 V1540L1418-N1538 PolarHBondContact O-N 2.95Å; L1418-N1538 PolarHBondContact O-OD1 3.05Å; L1418-N1538 VanDerWaalsContact O-OD1 3.1Å; I1420-N1538 PolarHBondContact N-OD1 3.35Å; I1420-N1538 PolarHBondContact O-ND2 3.49Å; N1538-V1540 PolarHBondContact O-N 2.81Å
1539G75.2Confident80.4Confident49 Ų4946.7 Ų46.751%0.50527%0.271SS..THydrogen-bonded Turntrans74.7-3-177.800000115.6I1537I1537-G1539 VanDerWaalsContact C-N 3.3Å; I1537-G1539 PolarHBondContact O-N 2.71Å
1540V79.7Confident80.3Confident49 Ų4943.9 Ų43.930%0.29726%0.263SS..EExtended strand (participates in β ladder)trans-94.3107.9178-1770000109.9E1536 I1537 N1538 L1551 V1555E1536-V1540 WeakPolarHBondContact CA-O 2.98Å; I1537-V1540 PolarHBondContact N-O 3.43Å; I1537-V1540 WeakPolarHBondContact O-CB 2.94Å; I1537-V1540 PolarHBondContact O-N 2.87Å; N1538-V1540 PolarHBondContact O-N 2.81Å; V1540-L1551 HydrophobicContact CG1-CD1 3.93Å; V1540-L1551 HydrophobicContact CG1-CD2 3.77Å; V1540-L1551 HydrophobicContact CG1-CG 3.86Å; V1540-V1555 HydrophobicContact CB-CG2 3.91Å; V1540-V1555 HydrophobicContact CG1-CG2 3.92Å; V1540-V1555 HydrophobicContact CG2-CG2 3.81Å
1541V82.2Confident80.3Confident76 Ų7644 Ų4446%0.46126%0.264SS..EExtended strand (participates in β ladder)trans-66.6132.7175.5-1800000110.1E1536 V1543E1536-V1541 HydrophobicContact CG-CG2 4.07Å; V1541-V1543 HydrophobicContact CG1-CB 3.95Å; V1541-V1543 HydrophobicContact CG1-CG2 4.31Å
1542L82.6Confident80.6Confident1 Ų142.9 Ų42.91%0.00525%0.251CS..  trans-101-21.7176-59.9-175.2000112.5V1511 L1534 L1535 I1537 N1544 A1545 P1548 L1551 L1552V1511-L1542 HydrophobicContact CB-CD1 4.45Å; V1511-L1542 HydrophobicContact CG2-CD1 4.42Å; L1534-L1542 HydrophobicContact CB-CD1 4.17Å; L1534-L1542 WeakPolarHBondContact O-CB 3.24Å; L1534-L1542 WeakPolarHBondContact O-CD1 3.46Å; L1535-L1542 PolarHBondContact O-N 2.82Å; I1537-L1542 HydrophobicContact CD1-CD1 3.84Å; I1537-L1542 HydrophobicContact CG1-CD1 4.17Å; L1542-N1544 PolarHBondContact O-N 3.3Å; L1542-A1545 WeakPolarHBondContact O-CB 3.32Å; L1542-A1545 PolarHBondContact O-N 2.8Å; L1542-A1545 VanDerWaalsContact O-N 3.17Å; L1542-P1548 HydrophobicContact CB-CB 4.28Å; L1542-L1551 HydrophobicContact CD2-CB 4.24Å; L1542-L1551 HydrophobicContact CD2-CD2 3.94Å; L1542-L1551 HydrophobicContact CD2-CG 3.97Å; L1542-L1552 HydrophobicContact CD1-CB 4.19Å; L1542-L1552 HydrophobicContact CD1-CD2 4.37Å; L1542-L1552 HydrophobicContact CD2-CB 4.33Å
1543V77.8Confident80.3Confident38 Ų3849 Ų4923%0.2327%0.273CS..THydrogen-bonded Turntrans-58.1128.2174.3-172.50000109.9L1535 V1541 A1545L1535-V1543 HydrophobicContact CB-CG2 3.85Å; L1535-V1543 HydrophobicContact CD2-CG2 3.57Å; L1535-V1543 HydrophobicContact CG-CG2 4.27Å; V1541-V1543 HydrophobicContact CG1-CB 3.95Å; V1541-V1543 HydrophobicContact CG1-CG2 4.31Å; V1543-A1545 PolarHBondContact O-N 2.89Å
1544N70.2Confident80Confident104 Ų10448.5 Ų48.556%0.55628%0.275SS*.THydrogen-bonded Turntrans57.613.6-177.8-59.6-25.3000115.7Y1508 L1542Y1508-N1544 WeakPolarHBondContact CD1-OD1 3.28Å; L1542-N1544 PolarHBondContact O-N 3.3Å
1545A76.6Confident79.5Confident24 Ų2448.8 Ų48.820%0.19828%0.278CS..  trans-72140.5173.200000110.9L1542 V1543 N1547 P1548 L1551L1542-A1545 WeakPolarHBondContact O-CB 3.32Å; L1542-A1545 PolarHBondContact O-N 2.8Å; L1542-A1545 VanDerWaalsContact O-N 3.17Å; V1543-A1545 PolarHBondContact O-N 2.89Å; A1545-N1547 PolarHBondContact O-N 3.45Å; A1545-P1548 HydrophobicContact CB-CB 4.22Å; A1545-P1548 WeakPolarHBondContact O-CD 3.3Å; A1545-L1551 HydrophobicContact CB-CD2 3.57Å
1546N72.1Confident79.2Confident159 Ų15950 Ų5085%0.8528%0.284SS*.SBendtrans-68.4114.8173.9-72.1-33.8000110
1547N78.6Confident78.6Confident90 Ų9056.1 Ų56.148%0.48131%0.306SS..SBendtrans5668.4-174.5-167.8-40.7000111.6E1466 A1545 L1549 S1550 L1551E1466-N1547 PolarHBondContact OE1-OD1 2.77Å; A1545-N1547 PolarHBondContact O-N 3.45Å; N1547-L1549 PolarHBondContact O-N 2.81Å; N1547-S1550 WeakPolarHBondContact CB-OG 3.43Å; N1547-S1550 PolarHBondContact O-N 3.28Å; N1547-S1550 PolarHBondContact O-OG 3.38Å; N1547-S1550 WeakPolarHBondContact OD1-CB 3.37Å; N1547-S1550 PolarHBondContact OD1-N 2.78Å; N1547-S1550 PolarHBondContact OD1-OG 2.85Å; N1547-L1551 PolarHBondContact O-N 3.49Å; N1547-L1551 VanDerWaalsContact O-N 3.16Å
1548P82Confident77.8Confident8 Ų862.9 Ų62.95%0.05234%0.335CS..Hα-helixtrans-64.2-25.6-170.629.7-37.8000112.7E1466 V1511 L1542 A1545 L1551 L1552E1466-P1548 HydrophobicContact CG-CG 4.43Å; E1466-P1548 WeakPolarHBondContact OE1-CD 3.3Å; V1511-P1548 HydrophobicContact CG2-CB 3.75Å; V1511-P1548 HydrophobicContact CG2-CG 3.81Å; L1542-P1548 HydrophobicContact CB-CB 4.28Å; A1545-P1548 HydrophobicContact CB-CB 4.22Å; A1545-P1548 WeakPolarHBondContact O-CD 3.3Å; P1548-L1551 PolarHBondContact O-N 3.29Å; P1548-L1552 WeakPolarHBondContact O-CB 3.48Å; P1548-L1552 PolarHBondContact O-N 3.36Å
1549L82.4Confident77Confident15 Ų1562.4 Ų62.48%0.07933%0.333CS..Hα-helixtrans-73.1-30.3174.3-171.465.6000112.3V1464 E1466 V1511 N1547 L1552 R1553V1464-L1549 HydrophobicContact CB-CD1 4.26Å; V1464-L1549 HydrophobicContact CG2-CD1 3.54Å; E1466-L1549 HydrophobicContact CG-CB 3.45Å; E1466-L1549 VanDerWaalsContact CG-CB 3.45Å; E1466-L1549 HydrophobicContact CG-CD2 4.04Å; E1466-L1549 HydrophobicContact CG-CG 4.32Å; E1466-L1549 WeakPolarHBondContact OE1-CB 3.31Å; E1466-L1549 PolarHBondContact OE1-N 3.28Å; V1511-L1549 HydrophobicContact CG1-CD1 4.42Å; V1511-L1549 HydrophobicContact CG2-CB 4.41Å; N1547-L1549 PolarHBondContact O-N 2.81Å; L1549-L1552 HydrophobicContact CD1-CD2 4.29Å; L1549-R1553 WeakPolarHBondContact O-CB 3.37Å; L1549-R1553 WeakPolarHBondContact O-CD 3.46Å; L1549-R1553 WeakPolarHBondContact O-CG 3.35Å; L1549-R1553 PolarHBondContact O-N 2.84Å
1550S80.8Confident75.9Confident50 Ų5063.1 Ų63.135%0.3533%0.33SS..Hα-helixtrans-68.9-37.9168.5760000112.1N1547 R1553 S1554N1547-S1550 WeakPolarHBondContact CB-OG 3.43Å; N1547-S1550 PolarHBondContact O-N 3.28Å; N1547-S1550 PolarHBondContact O-OG 3.38Å; N1547-S1550 WeakPolarHBondContact OD1-CB 3.37Å; N1547-S1550 PolarHBondContact OD1-N 2.78Å; N1547-S1550 PolarHBondContact OD1-OG 2.85Å; S1550-R1553 CarbonylContact O-C 3.44Å; S1550-R1553 PolarHBondContact O-N 2.82Å; S1550-S1554 WeakPolarHBondContact O-CB 3.14Å; S1550-S1554 PolarHBondContact O-N 3.49Å
1551L82Confident74.2Confident54 Ų5465.8 Ų65.828%0.28334%0.343SS..Hα-helixtrans-63.8-50.4176-178.656.7000110.7V1540 L1542 A1545 N1547 P1548 R1553 S1554 V1555V1540-L1551 HydrophobicContact CG1-CD1 3.93Å; V1540-L1551 HydrophobicContact CG1-CD2 3.77Å; V1540-L1551 HydrophobicContact CG1-CG 3.86Å; L1542-L1551 HydrophobicContact CD2-CB 4.24Å; L1542-L1551 HydrophobicContact CD2-CD2 3.94Å; L1542-L1551 HydrophobicContact CD2-CG 3.97Å; A1545-L1551 HydrophobicContact CB-CD2 3.57Å; N1547-L1551 PolarHBondContact O-N 3.49Å; N1547-L1551 VanDerWaalsContact O-N 3.16Å; P1548-L1551 PolarHBondContact O-N 3.29Å; L1551-R1553 PolarHBondContact O-N 2.76Å; L1551-S1554 CarbonylContact O-C 3.58Å; L1551-S1554 WeakPolarHBondContact O-CA 3.39Å; L1551-S1554 VanDerWaalsContact O-CB 3.29Å; L1551-S1554 WeakPolarHBondContact O-CB 3.38Å; L1551-S1554 PolarHBondContact O-N 3.33Å; L1551-V1555 WeakPolarHBondContact O-CG2 3.43Å; L1551-V1555 PolarHBondContact O-N 2.9Å
1552L84.6Confident72.3Confident8 Ų866.2 Ų66.24%0.04235%0.346CS..Hα-helixtrans-53.5-51.5171.8167.144.5000112.1V1464 V1511 L1534 I1537 L1542 P1548 L1549 S1554 V1555 L1556V1464-L1552 HydrophobicContact CG1-CD2 4.37Å; V1464-L1552 HydrophobicContact CG2-CD2 4.01Å; V1511-L1552 HydrophobicContact CG1-CD2 3.83Å; L1534-L1552 HydrophobicContact CD1-CD2 4.29Å; I1537-L1552 HydrophobicContact CD1-CD1 3.5Å; I1537-L1552 VanDerWaalsContact CD1-CD1 3.5Å; I1537-L1552 HydrophobicContact CD1-CD2 4.18Å; I1537-L1552 HydrophobicContact CD1-CG 4.36Å; L1542-L1552 HydrophobicContact CD1-CB 4.19Å; L1542-L1552 HydrophobicContact CD1-CD2 4.37Å; L1542-L1552 HydrophobicContact CD2-CB 4.33Å; P1548-L1552 WeakPolarHBondContact O-CB 3.48Å; P1548-L1552 PolarHBondContact O-N 3.36Å; L1549-L1552 HydrophobicContact CD1-CD2 4.29Å; L1552-S1554 PolarHBondContact O-N 3.42Å; L1552-V1555 PolarHBondContact O-N 2.86Å; L1552-L1556 HydrophobicContact CD1-CD1 3.56Å; L1552-L1556 HydrophobicContact CD1-CG 3.81Å; L1552-L1556 HydrophobicContact CG-CD1 4.46Å; L1552-L1556 PolarHBondContact O-N 3.48Å
1553R80.7Confident70.3Confident140 Ų14071.1 Ų71.153%0.52838%0.376SS..Hα-helixtrans-60.9-25174.3-73.4171.2-177.7139.1-9.3112.7L1549 S1550 L1551 R1557L1549-R1553 WeakPolarHBondContact O-CB 3.37Å; L1549-R1553 WeakPolarHBondContact O-CD 3.46Å; L1549-R1553 WeakPolarHBondContact O-CG 3.35Å; L1549-R1553 PolarHBondContact O-N 2.84Å; S1550-R1553 CarbonylContact O-C 3.44Å; S1550-R1553 PolarHBondContact O-N 2.82Å; L1551-R1553 PolarHBondContact O-N 2.76Å; R1553-R1557 WeakPolarHBondContact O-CB 3.42Å; R1553-R1557 VanDerWaalsContact O-CG 3.28Å; R1553-R1557 WeakPolarHBondContact O-CG 3.5Å; R1553-R1557 PolarHBondContact O-N 2.73Å; R1553-R1557 PolarHBondContact O-NE 2.84Å
1554S78Confident68.2Low42 Ų4274.9 Ų74.929%0.29440%0.398SS..Hα-helixtrans-79.5-40.8174.9-168.30000112S1550 L1551 L1552 R1557 K1558S1550-S1554 WeakPolarHBondContact O-CB 3.14Å; S1550-S1554 PolarHBondContact O-N 3.49Å; L1551-S1554 CarbonylContact O-C 3.58Å; L1551-S1554 WeakPolarHBondContact O-CA 3.39Å; L1551-S1554 VanDerWaalsContact O-CB 3.29Å; L1551-S1554 WeakPolarHBondContact O-CB 3.38Å; L1551-S1554 PolarHBondContact O-N 3.33Å; L1552-S1554 PolarHBondContact O-N 3.42Å; S1554-R1557 PolarHBondContact O-N 3.31Å; S1554-K1558 WeakPolarHBondContact O-CG 3.07Å; S1554-K1558 PolarHBondContact O-N 3.25Å
1555V78.2Confident66.3Low13 Ų1376.8 Ų76.88%0.07941%0.409CS..Hα-helixtrans-61.7-53.5175.8174.40000109.7I1537 V1540 L1551 L1552 R1557 K1558 L1559I1537-V1555 HydrophobicContact CG2-CG1 4.32Å; V1540-V1555 HydrophobicContact CB-CG2 3.91Å; V1540-V1555 HydrophobicContact CG1-CG2 3.92Å; V1540-V1555 HydrophobicContact CG2-CG2 3.81Å; L1551-V1555 WeakPolarHBondContact O-CG2 3.43Å; L1551-V1555 PolarHBondContact O-N 2.9Å; L1552-V1555 PolarHBondContact O-N 2.86Å; V1555-R1557 VanDerWaalsContact C-N 3.25Å; V1555-R1557 PolarHBondContact O-N 2.84Å; V1555-K1558 WeakPolarHBondContact O-CB 3.11Å; V1555-K1558 PolarHBondContact O-N 2.88Å; V1555-L1559 HydrophobicContact CG1-CD1 4.1Å; V1555-L1559 WeakPolarHBondContact O-CG 3.28Å; V1555-L1559 PolarHBondContact O-N 2.9Å
1556L77.1Confident64.1Low63 Ų6382.7 Ų82.733%0.3344%0.437SS..Hα-helixtrans-60.8-31.6178.3-68.2175.8000113.2I1420 L1552 L1559 S1560I1420-L1556 HydrophobicContact CD1-CD2 3.81Å; L1552-L1556 HydrophobicContact CD1-CD1 3.56Å; L1552-L1556 HydrophobicContact CD1-CG 3.81Å; L1552-L1556 HydrophobicContact CG-CD1 4.46Å; L1552-L1556 PolarHBondContact O-N 3.48Å; L1556-L1559 HydrophobicContact CD2-CD1 4.42Å; L1556-S1560 PolarHBondContact O-N 3.27Å; L1556-S1560 PolarHBondContact O-OG 2.99Å
1557R69.8Low62.1Low148 Ų14882.3 Ų82.356%0.55844%0.435SS*.Hα-helixtrans-75.5-29.5173.9-81.4-178.4-65.7161.62.4114.1R1553 S1554 V1555 S1560 N1561R1553-R1557 WeakPolarHBondContact O-CB 3.42Å; R1553-R1557 VanDerWaalsContact O-CG 3.28Å; R1553-R1557 WeakPolarHBondContact O-CG 3.5Å; R1553-R1557 PolarHBondContact O-N 2.73Å; R1553-R1557 PolarHBondContact O-NE 2.84Å; S1554-R1557 PolarHBondContact O-N 3.31Å; V1555-R1557 VanDerWaalsContact C-N 3.25Å; V1555-R1557 PolarHBondContact O-N 2.84Å; R1557-S1560 WeakPolarHBondContact CA-OG 3.31Å; R1557-S1560 PolarHBondContact O-OG 3.21Å; R1557-S1560 VanDerWaalsContact O-OG 3.1Å; R1557-N1561 WeakPolarHBondContact O-CB 3.24Å; R1557-N1561 PolarHBondContact O-N 2.86Å; R1557-N1561 PolarHBondContact O-OD1 3.42Å; R1557-N1561 VanDerWaalsContact O-OD1 3.13Å
1558K66.4Low59.9Low145 Ų14587.4 Ų87.463%0.6345%0.453SS*.Hα-helixtrans-65.2-48.5170-74.5176.1177.6-175.40109.5S1554 V1555 S1560 N1561 T1562S1554-K1558 WeakPolarHBondContact O-CG 3.07Å; S1554-K1558 PolarHBondContact O-N 3.25Å; V1555-K1558 WeakPolarHBondContact O-CB 3.11Å; V1555-K1558 PolarHBondContact O-N 2.88Å; K1558-S1560 VanDerWaalsContact C-N 3.28Å; K1558-S1560 PolarHBondContact O-N 2.9Å; K1558-N1561 PolarHBondContact O-N 3.38Å; K1558-N1561 VanDerWaalsContact O-N 3.11Å; K1558-T1562 PolarHBondContact O-N 3.48Å
1559L59Low57.5Low34 Ų3492.8 Ų92.818%0.17848%0.481CS..Hα-helixtrans-62-29.5177.7-60.1173.7000113.5I1420 L1422 V1555 L1556I1420-L1559 HydrophobicContact CD1-CD1 4.31Å; L1422-L1559 HydrophobicContact CD1-CD2 3.81Å; L1422-L1559 HydrophobicContact CD2-CB 4.23Å; L1422-L1559 HydrophobicContact CD2-CD2 3.92Å; L1422-L1559 HydrophobicContact CG-CD2 3.88Å; V1555-L1559 HydrophobicContact CG1-CD1 4.1Å; V1555-L1559 WeakPolarHBondContact O-CG 3.28Å; V1555-L1559 PolarHBondContact O-N 2.9Å; L1556-L1559 HydrophobicContact CD2-CD1 4.42Å
1560S54.1Low54.8Low64 Ų6498 Ų9845%0.44852%0.518SS..THydrogen-bonded Turntrans-81.4-12176.169.10000115L1556 R1557 K1558L1556-S1560 PolarHBondContact O-N 3.27Å; L1556-S1560 PolarHBondContact O-OG 2.99Å; R1557-S1560 WeakPolarHBondContact CA-OG 3.31Å; R1557-S1560 PolarHBondContact O-OG 3.21Å; R1557-S1560 VanDerWaalsContact O-OG 3.1Å; K1558-S1560 VanDerWaalsContact C-N 3.28Å; K1558-S1560 PolarHBondContact O-N 2.9Å
1561N43Very low52.5Low106 Ų106101.7 Ų101.757%0.56753%0.533SS*.THydrogen-bonded Turntrans-110.1-14.4-169.9-71.518.3000113.4R1557 K1558 T1563R1557-N1561 WeakPolarHBondContact O-CB 3.24Å; R1557-N1561 PolarHBondContact O-N 2.86Å; R1557-N1561 PolarHBondContact O-OD1 3.42Å; R1557-N1561 VanDerWaalsContact O-OD1 3.13Å; K1558-N1561 PolarHBondContact O-N 3.38Å; K1558-N1561 VanDerWaalsContact O-N 3.11Å; N1561-T1563 PolarHBondContact O-N 3.17Å
1562T41.5Very low50.3Low85 Ų85106.8 Ų106.852%0.52156%0.561SS.*THydrogen-bonded Turntrans-75.523.4175.947.20000114K1558K1558-T1562 PolarHBondContact O-N 3.48Å
1563T41.2Very low47.8Very low104 Ų104113.9 Ų113.964%0.63860%0.599SS**THydrogen-bonded Turntrans-132.613.7-174.952.90000113.4N1561N1561-T1563 PolarHBondContact O-N 3.17Å
1564V34.9Very low45.6Very low116 Ų116114.9 Ų114.970%0.70362%0.615SS**SBendtrans-137.76-171.1-161.40000113.6
1565N28.7Very low43.4Very low144 Ų144119 Ų11977%0.7763%0.633SS**  trans-120-8.4-169.5-112.618.9000116.7N1567N1565-N1567 PolarHBondContact O-N 3.18Å
1566D31.6Very low40.9Very low149 Ų149124.8 Ų124.880%0.79766%0.661SS**  trans-94.472176.2-59.1-61.6000110.3
1567N29.9Very low38.6Very low150 Ų150128 Ų12880%0.80268%0.677SS**  trans-162.177.4162.7-107.9-41.7000110.2N1565N1565-N1567 PolarHBondContact O-N 3.18Å
1568K32.7Very low36.6Very low198 Ų198126.3 Ų126.386%0.86168%0.684SS**  trans-121.6111.3156.5-75.9-176.8178.4178.50106.8C1570K1568-C1570 PolarHBondContact O-N 3.29Å
1569N30.6Very low34.8Very low120 Ų120125.9 Ų125.964%0.64269%0.693SS**  trans-59.2128.8170.6-78.424000109.8D1571N1569-D1571 VanDerWaalsContact C-N 3.28Å; N1569-D1571 HydrophobicContact CB-CB 4.45Å; N1569-D1571 WeakPolarHBondContact CB-OD2 3.1Å; N1569-D1571 PolarHBondContact ND2-OD2 2.81Å; N1569-D1571 PolarHBondContact O-N 3.15Å
1570C25.7Very low33.1Very low126 Ų126129 Ų12985%0.85172%0.718SS**  trans-80.180.6151.448.20000108.3K1568K1568-C1570 PolarHBondContact O-N 3.29Å
1571D32.3Very low31.8Very low126 Ų126132.3 Ų132.367%0.67474%0.736SS**  trans-99.674166.5-77.3-52.3000108.8N1569N1569-D1571 VanDerWaalsContact C-N 3.28Å; N1569-D1571 HydrophobicContact CB-CB 4.45Å; N1569-D1571 WeakPolarHBondContact CB-OD2 3.1Å; N1569-D1571 PolarHBondContact ND2-OD2 2.81Å; N1569-D1571 PolarHBondContact O-N 3.15Å
1572D35.9Very low30.9Very low162 Ų162132.2 Ų132.287%0.86674%0.743SS**  trans-163.881.5168.2-116.7-20.2000109.2
1573D31.8Very low30.4Very low157 Ų157134 Ų13484%0.8475%0.754SS**  trans-150.897.7164.7-135.2-23.5000110.9
1574N34.7Very low30Very low161 Ų161134.6 Ų134.686%0.86176%0.758SS**  trans-156.8128161-113.7-62.2000111.7
1575N32Very low29.6Very low128 Ų128134.6 Ų134.668%0.68475%0.753SS**  trans74.678.6154.7-146.347.5000118.3
1576M26.5Very low29.6Very low134 Ų134137 Ų13766%0.6675%0.752SS**  156.4132.4100-76.3-112.398.600115.1
1577I27.8Very low29.4Very low131 Ų131135.4 Ų135.467%0.67275%0.748SS**  trans58.9114.2136.5-62.3177.9000116.5
1578T28.8Very low29.3Very low113 Ų113133.5 Ų133.569%0.69374%0.742SS**  cis-157.916539.9-22.80000113
1579T29.4Very low29.3Very low135 Ų135129.9 Ų129.983%0.82874%0.736SS**  trans54.976.3157.147.90000118
1580S22Very low29.5Very low100 Ų100129.7 Ų129.770%0.69974%0.74SS**  trans-96.7-178.9138.9610000109.9
1581T27.3Very low29.7Very low134 Ų134128.9 Ų128.982%0.82273%0.731SS**  trans73.3146172.670.10000117.1
1582S24.3Very low29.6Very low104 Ų104128.9 Ų128.973%0.72774%0.736SS**  cis-169.2-149.2-18.658.90000109.5
1583V31.3Very low29.3Very low122 Ų122126.4 Ų126.474%0.73973%0.727SS**  trans96.282.9-177.9-176.90000113.4
1584T32.3Very low29.2Very low117 Ų117125 Ų12572%0.71872%0.724SS**  76135.368.864.60000114.9
1585D27.2Very low28.8Very low115 Ų115121.1 Ų121.162%0.61571%0.714SS**  cis-170.2168.8-11.8-166.314.9000111.4
1586R28.1Very low28.7Very low194 Ų194125.3 Ų125.373%0.73272%0.722SS**  trans62.4110.8144.3-96.4174.8175.999.9-1.7124.3
1587T26.9Very low28.7Very low117 Ų117124.5 Ų124.572%0.71873%0.725SS**  63.5157.7122.457.40000120.8
1588T27.8Very low28.7Very low110 Ų110123.1 Ų123.168%0.67573%0.727SS**  cis-162.8177.829.8-26.80000112.8
1589T32.5Very low28.7Very low122 Ų122123.9 Ų123.975%0.74873%0.731SS**  trans71.7145.615852.80000118.8
1590T35.4Very low28.7Very low116 Ų116123.4 Ų123.471%0.71273%0.728SS**  cis-158.7133.532.70000114.5
1591T30.7Very low29Very low109 Ų109124.2 Ų124.267%0.66973%0.729SS**  trans40.4123.8136.158.40000125.8
1592T29.2Very low29.1Very low126 Ų126123.2 Ų123.277%0.77372%0.722SS**  60.8153.6127.663.90000123.1
1593T29Very low29.2Very low110 Ų110124.7 Ų124.768%0.67572%0.722SS**  cis-173.2160.3-14.3-860000110.7
1594T30.1Very low29.2Very low127 Ų127125.5 Ų125.578%0.77973%0.727SS**  trans67.4111.916240.90000124.3
1595A27.2Very low29.1Very low79 Ų79125.3 Ų125.365%0.65373%0.727SS**  81.5160.1111.700000124.7
1596Y28.7Very low29.1Very low217 Ų217125.1 Ų125.185%0.85173%0.73SS**  trans8190.5166.5-65.3-75.4000122.2
1597T27.9Very low29.1Very low117 Ų117122.8 Ų122.872%0.71873%0.73SS**  28.9132.9123.1560000123.5
1598S27.2Very low29.2Very low102 Ų102122.7 Ų122.771%0.71373%0.729SS**  trans87.8113.3135.3-64.20000122.3
1599T29.2Very low29.2Very low129 Ų129123.2 Ų123.279%0.79173%0.733SS**  trans55.9142.7134.858.70000120.1
1600V29.3Very low29Very low125 Ų125122 Ų12276%0.75873%0.729SS**  -165.5165.976154.40000111.8
1601T27.7Very low28.5Very low117 Ų117122.3 Ų122.372%0.71873%0.731SS**  trans-47.2170.1176.2540000116.7
1602T29.4Very low28.5Very low112 Ų112124 Ų12469%0.68774%0.742SS**  cis-159.8158.145.2230000116
1603D26.6Very low28.5Very low136 Ų136124.2 Ų124.273%0.72774%0.743SS**  trans32135.6137.8-44.3-22.8000123
1604T31.5Very low28.7Very low138 Ų138124.8 Ų124.885%0.84775%0.749SS**  178.6175.4102.2-64.90000109.9
1605T29.5Very low28.7Very low114 Ų114124 Ų12470%0.69975%0.748SS**  trans-102168-158.259.50000117.3
1606T28.1Very low29.3Very low111 Ų111125.2 Ų125.268%0.68175%0.75SS**  trans71.9113.7144.7420000122.8
1607I27.3Very low29.3Very low144 Ų144120.6 Ų120.674%0.73874%0.744SS**  80.1148.1127.1-61.8167.7000119.6
1608T29Very low29.5Very low115 Ų115122.9 Ų122.971%0.70674%0.744SS**  trans72.2100.5164.933.60000121.8
1609T28.8Very low29.7Very low121 Ų121123.7 Ų123.774%0.74275%0.745SS**  51.9123.2120.958.30000123
1610S26.7Very low30Very low97 Ų97123.6 Ų123.668%0.67874%0.739SS**  trans71.9112.5131.166.70000122.2
1611T25.7Very low30.3Very low123 Ų123122.7 Ų122.776%0.75573%0.73SS**  trans54.7117132.959.90000120.8
1612T29.8Very low30.8Very low144 Ų144124.2 Ų124.288%0.88373%0.729SS**  -175.1150.1106.722.80000112.8
1613T29.3Very low31Very low130 Ų130124.2 Ų124.280%0.79873%0.725SS**  trans-93.7151.3166.953.70000109.5
1614P33Very low31.4Very low123 Ų123123.2 Ų123.280%0.79972%0.724SS**  -152.9161.984.240.5-22.3000117.2
1615S31Very low31.5Very low109 Ų109122.2 Ų122.276%0.76272%0.718SS**  trans-73.1169.6157.9-43.10000110.9
1616P38.9Very low31.7Very low106 Ų106121.6 Ų121.669%0.68872%0.718SS**  -160.3147.210038.3-18.1000119.1
1617T28.8Very low31.9Very low119 Ų119125.9 Ų125.973%0.7373%0.727SS**  trans69.4166.7139.265.40000119.7
1618K32.7Very low32.1Very low165 Ų165123.2 Ų123.272%0.71772%0.722SS**  cis-160.6143.111.7-141148.7-168.6176.40114.1
1619T30.8Very low32.3Very low119 Ų119123.4 Ų123.473%0.7372%0.723SS**  trans60.9157.914646.70000119.5
1620N36Very low32.4Very low128 Ų128126 Ų12668%0.68472%0.724SS**  cis-159.8171.313.7-131.222000108.9
1621D35.5Very low32.6Very low106 Ų106128.1 Ų128.157%0.56773%0.728SS**  cis-170.4177.5-5.7-149-10.6000112
1622Q38.9Very low32.9Very low148 Ų148131.4 Ų131.469%0.69273%0.732SS**  trans60.9138.3145.7-56.5-122.6700122.1
1623N32.7Very low33Very low113 Ų113131 Ų13160%0.60473%0.728SS**  cis-167166.3-17.4-137-28.6000114.6
1624T35.6Very low33Very low114 Ų114131.6 Ų131.670%0.69973%0.727SS**  trans65.8141153.952.40000120.4
1625T34Very low32.8Very low118 Ų118131.1 Ų131.172%0.72473%0.726SS**  cis-154.2137.86.6-140000114.1
1626S33.2Very low32.6Very low101 Ų101134 Ų13471%0.70673%0.73SS**  trans53.5145.3145.854.70000121.8
1627K32.6Very low32.2Very low200 Ų200136.7 Ų136.787%0.8773%0.733SS**  cis-165.7157.51.2-105.7168.1179.7177.10106
1628S31.8Very low32Very low89 Ų89138 Ų13862%0.62273%0.733SS**  cis-169.2167.1-1.148.50000111.4
1629T32.8Very low31.7Very low119 Ų119136.8 Ų136.873%0.7373%0.734SS**  trans66.2134.1157.764.90000118.9
1630F31.4Very low31.6Very low175 Ų175137 Ų13777%0.76873%0.73SS**  cis-159.5143.2-6-138.8-100.7000111.7
1631D30.6Very low31.1Very low141 Ų141137.7 Ų137.775%0.75473%0.732SS**  trans55.8177.8158.7-74.4-6.5000124.1
1632K31.6Very low30.9Very low193 Ų193140.2 Ų140.284%0.83974%0.744SS**  trans-133.2167.8-157.8-50.9169.2-179.1174.10111.8
1633V31.1Very low30.6Very low134 Ų134141.4 Ų141.481%0.81275%0.75SS**  163.3148.6119.8158.30000109.7
1634D30.4Very low30.8Very low144 Ų144141.7 Ų141.777%0.7776%0.758SS**  trans-86.9170.9-172.6-49-89.8000115.5
1635S28.6Very low30.6Very low112 Ų112143.4 Ų143.478%0.78376%0.762SS**  trans84.1107.9147.7-57.40000122
1636M27.3Very low30.4Very low171 Ų171144 Ų14484%0.84277%0.765SS**  86.6127.1124.2-147.375.595.300122.2
1637E29.3Very low30.2Very low161 Ų161144.9 Ų144.975%0.75277%0.766SS**  trans78.9132.6150-96.4-179-167.600124.8
1638M26.3Very low29.9Very low148 Ų148142.1 Ų142.173%0.72976%0.761SS**  trans66.9116150-75.2-162.6-77.400124.1
1639L26.1Very low29.8Very low139 Ų139145.7 Ų145.773%0.72877%0.772SS**  trans91.6135.2134.3-97.570.9000122.8
1640D27.3Very low29.7Very low123 Ų123147.6 Ų147.666%0.65878%0.777SS**  trans80.5105.7145.6-66.9-5000125.7
1641I27.1Very low29.6Very low142 Ų142148 Ų14873%0.72879%0.785SS**  51.4111.6126.1-42.5168.8000118.4
1642I30.4Very low29.4Very low159 Ų159145.1 Ų145.182%0.81578%0.781SS**  -173.9133.5112.3-93.6168.3000109.1
1643Q31.7Very low29.2Very low174 Ų174147.8 Ų147.881%0.81379%0.786SS**  trans-93.1162.1166.3-70.6-172.2-17.100110.4
1644P38.4Very low29.1Very low118 Ų118149.4 Ų149.477%0.76679%0.789SS**  -139.7162.6106.437.5-26.1000116.2
1645L29.9Very low29Very low151 Ų151149.3 Ų149.379%0.79179%0.794SS**  trans-43157.6174.2-52.498.6000116.8
1646V29.9Very low29.1Very low130 Ų130153.9 Ų153.979%0.78879%0.794SS**  174.5130.2109.7149.90000112.2
1647V30.6Very low29.4Very low119 Ų119154.7 Ų154.772%0.72180%0.795SS**  trans59.9114.91621670000117.5
1648D26.2Very low29.5Very low143 Ų143154.8 Ų154.877%0.76579%0.789SS**  71.181.159.5-74.4-46.5000116.3
1649L29.7Very low29.7Very low163 Ų163157.1 Ų157.185%0.85379%0.79SS**  trans-161.8163.3140.1-132.870000112.3
1650L29.6Very low29.9Very low159 Ų159156.2 Ų156.283%0.83279%0.794SS**SBendtrans86.917.1170.4-72.4163.9000121.6
1651I28.8Very low30.1Very low183 Ų183155.1 Ų155.194%0.93880%0.803SS**SBendtrans-11563.5142.1-52.7-175.5000109.1
1652A27Very low30.2Very low82 Ų82154.6 Ų154.668%0.67881%0.812SS**  trans-155.762.8-172.200000115
1653R27.5Very low30.2Very low248 Ų248149.7 Ų149.794%0.93680%0.8SS**SBendtrans-143.816.3161.7-137.6171.2-177.1148.11.5117.9
1654L29.3Very low30.2Very low168 Ų168150.5 Ų150.588%0.8880%0.803SS**SBendtrans-134.963.4170.1-93.4174.3000112.8
1655T28.8Very low29.8Very low142 Ų142150.8 Ų150.887%0.87180%0.803SS**  trans179.496149.519.90000112.6
1656R30.3Very low29.6Very low208 Ų208152.3 Ų152.379%0.78581%0.811SS**  trans-158.763.9150.7-144.8173.7-77-167.60.2117.1
1657H32.8Very low29.6Very low189 Ų189150.1 Ų150.188%0.87581%0.807SS**  trans-149.3110.7138.7-101.4-76.7000105
1658R31.5Very low29.6Very low163 Ų163149.5 Ų149.562%0.61581%0.808SS**  cis58.8124.530.5-78.4-164.7175.7-164.12.3112.7
1659R30.5Very low29.8Very low197 Ų197151 Ų15174%0.74382%0.816SS**  cis-162.7-174-4.8-135.9173.9-168.3-174.2-0.1109.7
1660S31.2Very low29.8Very low119 Ų119147.7 Ų147.783%0.83281%0.806SS**  trans78.6135.4174.1-52.40000115.2
1661A31.2Very low29.8Very low101 Ų101149.5 Ų149.584%0.83581%0.811SS**  cis-136.8126.9-2.900000113.1
1662S29.1Very low29.8Very low131 Ų131149.2 Ų149.292%0.91680%0.803SS**  trans-141.2132.9145.552.90000106.9
1663G30.4Very low29.9Very low55 Ų55150.2 Ų150.257%0.56781%0.805SS**  trans-128167-175.400000111.3
1664H31.7Very low30.1Very low191 Ų191142.6 Ų142.688%0.88479%0.79SS**  trans66.481.6-161.5-47.3-72.4000109.9
1665T30.4Very low30Very low125 Ų125142.8 Ų142.877%0.76779%0.786SS**  cis65.9103.638.2-35.50000112.6
1666L26Very low30.1Very low182 Ų182142 Ų14295%0.95378%0.781SS**  trans-100.4123.1161.2-77.1167.3000108.9
1667A30Very low30Very low84 Ų84136.1 Ų136.169%0.69477%0.772SS**  trans-160.9115157.300000106.1
1668S29.9Very low30Very low107 Ų107133.5 Ų133.575%0.74877%0.769SS**  77.392.152.879.40000113.6
1669N30.3Very low29.9Very low175 Ų175130.5 Ų130.594%0.93677%0.774SS**  trans-102.7146.8152.5-84.42.7000108.4
1670S29.3Very low29.9Very low93 Ų93126.3 Ų126.365%0.6578%0.775SS**  trans-155.4123.9-177.157.40000112.7
1671E29.4Very low29.7Very low197 Ų197127.3 Ų127.392%0.92178%0.776SS**  trans-126.2117.9154.3-67.7179.5129.100103.1
1672F29.1Very low29.6Very low177 Ų177128.9 Ų128.978%0.77678%0.775SS**  cis60.8133.539.4-89.6-91.3000112.6
1673S28.6Very low29.4Very low102 Ų102129.6 Ų129.671%0.71377%0.768SS**  cis-132.4-171.214.9-52.60000111.1
1674S31.4Very low29.2Very low89 Ų89133 Ų13362%0.62278%0.777SS**  cis-160.9148.611.450.60000111.7
1675E29Very low29.1Very low171 Ų171130.1 Ų130.180%0.79977%0.773SS**  trans46.8140.6132.1-63.9157.3-142.400120.6
1676T29.7Very low29Very low125 Ų125130.3 Ų130.377%0.76777%0.774SS**  cis-170.8166.8119.10000107.3
1677S29Very low29.7Very low86 Ų86127.6 Ų127.660%0.60177%0.767SS**  cis-170.2173.8-14.155.20000109.7
1678T31.6Very low29.7Very low133 Ų133132.7 Ų132.782%0.81677%0.774SS**  trans59.4150154.549.90000120.7
1679S30.1Very low29.7Very low101 Ų101137.8 Ų137.871%0.70678%0.783SS**  cis-167.4151.4-33.8-158.20000110.8
1680S30.1Very low29.8Very low109 Ų109136.7 Ų136.776%0.76278%0.776SS**  trans61.9130.4149.8-52.40000121.5
1681T26.8Very low30.2Very low140 Ų140137.6 Ų137.686%0.85978%0.78SS**  trans-102.1129.4168.9-52.60000111.2
1682V29Very low30.9Very low133 Ų133133.3 Ų133.381%0.80677%0.769SS**  trans-142.9131.7165.8177.40000110.3
1683L26.4Very low31Very low147 Ų147130.7 Ų130.777%0.7777%0.767SS**  trans-93.2145.2159.5-65.4162.6000106.7
1684T26.3Very low31.2Very low126 Ų126132.2 Ų132.277%0.77377%0.768SS**  -172.8163.670.629.30000114.5
1685V28.7Very low31.1Very low131 Ų131135 Ų13579%0.79478%0.776SS**  trans71.7118.9147.2167.80000120.3
1686T28.7Very low31.3Very low129 Ų129136.3 Ų136.379%0.79178%0.779SS**PPolyproline II helixtrans-92.6138.8159.5510000112
1687P39.2Very low31.3Very low124 Ų124136 Ų13681%0.80578%0.777SS**PPolyproline II helixtrans-88.5153.4158.933.8-30.4000112.3
1688K30.7Very low31.2Very low192 Ų192136.1 Ų136.184%0.83578%0.777SS**PPolyproline II helixtrans-76.1146.7-170-55.2157.2-176.8172.10112.9
1689F31.1Very low31.1Very low213 Ų213137.5 Ų137.593%0.93478%0.775SS**  -160.7164.9114.7-104.7-73.1000110.7
1690L30.5Very low31Very low153 Ų153140 Ų14080%0.80178%0.775SS**  trans-127.5176.9-168.4-74.9151000109.1
1691P39.2Very low30.9Very low111 Ų111139.1 Ų139.172%0.72177%0.769SS**  -126.4-142.3-51.440.3-21.9000107.8
1692P42.6Very low31Very low107 Ų107137.3 Ų137.370%0.69576%0.762SS**  cis-137.3179-18.139.7-20.5000117.2
1693V32.1Very low31.1Very low122 Ų122141.3 Ų141.374%0.73976%0.764SS**  trans86.2125.8139.6148.80000122.7
1694N32.7Very low31.3Very low135 Ų135139.9 Ų139.972%0.72276%0.762SS**  trans70.493.8153.8-70.1-4000124
1695N29.2Very low31.4Very low148 Ų148138.6 Ų138.679%0.79176%0.758SS**  20.6123118.3-57.5-4.7000120
1696K32.9Very low31.3Very low198 Ų198140 Ų14086%0.86176%0.756SS**  -173.2149.9107.1-101.5167.8-177-179.80115.2
1697T30.2Very low31.4Very low119 Ų119140.8 Ų140.873%0.7375%0.75SS**  trans-30.2156.315348.80000116.6
1698S27.9Very low31Very low88 Ų88142.3 Ų142.362%0.61575%0.747SS**  cis-175.1166.5-4.8-89.60000109.7
1699Q28.6Very low30.9Very low162 Ų162137 Ų13776%0.75773%0.733SS**  trans66.8160.2159.1-72155.7-85.600116.1
1700E27Very low31.1Very low153 Ų153132.7 Ų132.772%0.71573%0.725SS**  cis-153.5-179.21.2-140145.6-133.700113.9
1701S28.1Very low31.2Very low90 Ų90131.8 Ų131.863%0.62972%0.721SS**  trans5137.3159.249.10000121.7
1702S29.2Very low30.8Very low103 Ų103133.2 Ų133.272%0.7272%0.718SS**  cis99113.827.777.20000116.7
1703Y31.3Very low30.3Very low217 Ų217135.4 Ų135.485%0.85172%0.718SS**  trans-144.7125.7165.2-89.3-105.4000106.3
1704T30.3Very low30.3Very low117 Ų117137.7 Ų137.772%0.71872%0.721SS**  54.6141.578.960.70000114.2
1705S28.5Very low30.2Very low98 Ų98135 Ų13569%0.68572%0.724SS**  cis-167.3171.5-2.3-1030000106.1
1706Q28.1Very low30.4Very low161 Ų161134.1 Ų134.175%0.75272%0.72SS**  cis169.4-179.2-3.4-177.1175.8-21.400106
1707E30.6Very low30.5Very low145 Ų145131.4 Ų131.468%0.67871%0.71SS**  trans87.2119163.5-49.6-138.4105.900118.6
1708Q30.8Very low30.8Very low157 Ų157132 Ų13273%0.73471%0.705SS**  88149.888.7-71.5-154.755.700114.7
1709S28.6Very low31.2Very low79 Ų79134.6 Ų134.655%0.55271%0.707SS**  cis-171.7173.7-20.555.10000110.1
1710T34Very low31.6Very low123 Ų123133.4 Ų133.476%0.75570%0.701SS**  trans69157.4166.370.50000118.9
1711D32.5Very low32Very low134 Ų134132.7 Ų132.772%0.71770%0.698SS**  cis-155.7173.2-15.9-121.6-36.6000116.9
1712H30.8Very low32.4Very low142 Ų142134.6 Ų134.666%0.65770%0.696SS**  trans-34.3166.3176.2-79.674.5000125.3
1713H32.6Very low32.7Very low152 Ų152137.7 Ų137.770%0.70469%0.692SS**  trans78.5154.8143.7-77-35.6000121.3
1714H32Very low33.1Very low170 Ų170135.7 Ų135.779%0.78769%0.69SS**  cis-170.6124.8-33.8-134.536000112.4
1715G31.9Very low33.4Very low78 Ų78136.4 Ų136.480%0.80469%0.685SS**  trans65.3-179.215600000119.8
1716N31.9Very low33.8Very low131 Ų131137.9 Ų137.970%0.70168%0.681SS**  cis-167.7157.9-29.9-158.60.1000111.2
1717H35.2Very low34.1Very low140 Ų140138.6 Ų138.665%0.64868%0.677SS**  trans65.9157.2157.9-70.1-13.3000120
1718Q37.1Very low34.4Very low132 Ų132138.7 Ų138.762%0.61768%0.677SS**  cis-170-176.8-28.9-116.5-178.916.700110.3
1719H35.7Very low34.6Very low142 Ų142137.5 Ų137.566%0.65767%0.671SS**  trans77.7147.6152.9-71.3-29.9000120.3
1720H37.3Very low34.8Very low138 Ų138143.2 Ų143.264%0.63968%0.68SS**  cis-171.4161.9-16.8-126-10.3000116.2
1721Q35.3Very low34.7Very low138 Ų138143.5 Ų143.565%0.64568%0.677SS**  trans73164.8143.3-77.9177.435.500120.5
1722H37.5Very low34.8Very low130 Ų130143.8 Ų143.860%0.60268%0.678SS**  cis-130.2-160.214.7-154.374000114.7
1723R35.2Very low34.9Very low168 Ų168140.8 Ų140.863%0.63467%0.673SS**  trans-151.8160.5-170.784.3-49.9-153-151.12.3117
1724H39Very low35.1Very low174 Ų174141.1 Ų141.181%0.80668%0.675SS**  trans-133.2115.3159.2-87.1-54.6000108.5
1725H36.6Very low35.1Very low132 Ų132138.6 Ų138.661%0.61167%0.667SS**  77124.488.8-81.21.6000113
1726H36.7Very low35.1Very low129 Ų129141.4 Ų141.460%0.59766%0.659SS**  cis-139.9-179.713.7-90.5-19.5000108.9
1727R34.8Very low35Very low177 Ų177142.5 Ų142.567%0.66866%0.66SS**  cis-171.8168.9-15.5-99.7169.9141.7144.5-19103.8
1728H36.2Very low34.5Very low147 Ų147145 Ų14568%0.68167%0.668SS**  cis-168.2169-8.7-103.4-27.8000104.7
1729H35Very low33.9Very low132 Ų132143.7 Ų143.761%0.61167%0.673SS**  cis179.3150.3-24.2168.152.3000107.5
1730R33.6Very low33.4Very low199 Ų199147.3 Ų147.375%0.75168%0.683SS**  trans78.1141.8-179.4-58.3175.9-176.4168.4-3.1114.2
1731N32.2Very low32.7Very low129 Ų129146.1 Ų146.169%0.6969%0.689SS**  cis-161.91670.2-103.6-1.3000107.7
1732L34Very low32.5Very low140 Ų140144.6 Ų144.673%0.73369%0.693SS**  cis-153.6173.90.4-153.174.1000110.7
1733S33.9Very low32.5Very low78 Ų78145 Ų14555%0.54570%0.7SS.*  trans-15.6163.9147.2-64.30000122.1
1734Q36.2Very low32.6Very low159 Ų159142.8 Ų142.874%0.74371%0.707SS**  cis-179.1-177.7-2.5-99.3168.2-4200106.8
1735L32.2Very low31.9Very low118 Ų118141.5 Ų141.562%0.61871%0.705SS**  cis-162.6159.4-4.8-116.4163.9000110.2
1736Q31.2Very low31.8Very low136 Ų136141 Ų14164%0.63671%0.711SS**  trans56143.6143.8-86.8162.9-8.700126.1
1737Q30.9Very low31.5Very low154 Ų154140.5 Ų140.572%0.7272%0.718SS**  trans62.8130.2140-66.6159.29.600119
1738K24.8Very low31.4Very low192 Ų192139.6 Ų139.684%0.83573%0.725SS**  73.2130.655.3-87.3-165172.8-174.90115
1739C24.3Very low31.2Very low106 Ų106137 Ų13772%0.71672%0.724SS**  trans81.5137.2166.7-57.50000117.6
1740Y25.4Very low31.2Very low218 Ų218135.2 Ų135.286%0.85573%0.726SS**  trans64.1126.4171.5-61.6-72.3000116
1741C22.7Very low31Very low113 Ų113133.5 Ų133.576%0.76473%0.731SS**  cis66.1139.718.4-62.30000117
1742S29.2Very low30.9Very low105 Ų105131.7 Ų131.773%0.73473%0.728SS**  trans77.9127.1-177-49.20000113.3
1743N37.9Very low30.8Very low140 Ų140129.6 Ų129.675%0.74973%0.726SS**  cis62.6135.537.4-57.5-12.9000113
1744P37.7Very low30.5Very low121 Ų121131.2 Ų131.279%0.78674%0.737SS**  -118.9148.188.2-1.623.5000112.2
1745L25.5Very low30.7Very low146 Ų146129 Ų12976%0.76474%0.736SS**  52.5127.374.9-88.869.5000111.3
1746T32.7Very low30.6Very low121 Ų121128.1 Ų128.174%0.74274%0.74SS**  cis-158.3164.448.7480000108.9
1747T32.1Very low30.2Very low119 Ų119126.3 Ų126.373%0.7374%0.742SS**  cis-177.8164.5-6.7290000104.9
1748L31Very low30.1Very low159 Ų159125.8 Ų125.883%0.83274%0.743SS**  cis-155.2171.2-1-111.4173.3000104.1
1749S32.8Very low30Very low93 Ų93122.3 Ų122.365%0.6574%0.738SS**  cis-135.5-136.70.246.70000107.4
1750S34.3Very low30.2Very low94 Ų94123.2 Ų123.266%0.65774%0.74SS**  cis-174.1145.2-12.225.50000106
1751L30.2Very low30.2Very low163 Ų163120.2 Ų120.285%0.85374%0.739SS**  cis-158.1148.1-21-86.1178.1000103.8
1752S30.1Very low30.8Very low90 Ų90119.9 Ų119.963%0.62974%0.735SS**  cis-162.5-178.6-8.855.40000108.2
1753S31.1Very low30.7Very low97 Ų97120 Ų12068%0.67873%0.732SS**  trans64.1124.2161.832.40000116.6
1754S28.7Very low30.3Very low111 Ų111121.4 Ų121.478%0.77673%0.734SS**  cis73.6154.529.4-38.20000114.5
1755P40.8Very low29.7Very low112 Ų112119.4 Ų119.473%0.72772%0.723SS**  -134.9-144.7-60.640.8-24.1000110.7
1756S28.5Very low29.8Very low101 Ų101120.2 Ų120.271%0.70672%0.723SS**  trans73.3137.9172.28.70000114.5
1757S23.5Very low29.5Very low97 Ų97118.6 Ų118.668%0.67872%0.716SS**  cis87.8149.140.685.20000114.2
1758I29.4Very low29.4Very low144 Ų144121.1 Ų121.174%0.73872%0.72SS**  trans72103.5172.5-59.7166.5000111.2
1759T22.2Very low29.2Very low119 Ų119118.8 Ų118.873%0.7371%0.712SS**  63.8149.776.364.90000115.8
1760T27.4Very low29.1Very low125 Ų125120.4 Ų120.477%0.76772%0.718SS**  trans64.3103.217254.10000119
1761N26.9Very low28.8Very low154 Ų154121 Ų12182%0.82472%0.718SS**  2.2155.4115.7-64.36.9000117.4
1762P35.3Very low28.9Very low106 Ų106121.4 Ų121.469%0.68872%0.719SS**  cis-138.2-163.326.933.6-9.2000114.1
1763T26.1Very low29Very low109 Ų109122.9 Ų122.967%0.66972%0.72SS**  trans49.1145.4147.8480000120.5
1764E28.9Very low29.2Very low168 Ų168124.4 Ų124.479%0.78572%0.719SS**  cis-153.9-171.913.1-139.5139.1-132.900112.5
1765S25.1Very low29.4Very low79 Ų79125.4 Ų125.455%0.55272%0.715SS**  trans-69.9175.9172.654.30000113.7
1766E28.7Very low28.9Very low163 Ų163125.8 Ų125.876%0.76271%0.712SS**  trans68.6123.3156.9-74.4148.3-118.100117
1767S26Very low29Very low87 Ų87127.3 Ų127.361%0.60871%0.71SS**  85.6142.559.594.70000113.6
1768H30.5Very low29.3Very low173 Ų173130.4 Ų130.480%0.80171%0.714SS**  trans64.7157.7-177.9-65.3-78.9000117.7
1769V27.2Very low29.2Very low109 Ų109129.4 Ų129.466%0.66171%0.71SS**  177.9128.8-52.1137.50000107.1
1770T29.1Very low29.4Very low127 Ų127127.8 Ų127.878%0.77970%0.695SS**  trans63.2166.9169.553.70000115.9
1771T29.4Very low29.5Very low107 Ų107125.9 Ų125.966%0.65668%0.681SS**  cis-145123.319-45.10000114.6
1772I32Very low29.7Very low172 Ų172122.8 Ų122.888%0.88266%0.664SS**  trans-151129.4156.6-58-176.3000107.6
1773N31.4Very low29.4Very low121 Ų121124.3 Ų124.365%0.64767%0.666SS**  cis-161.9161.6-31.4-142.9-8000111
1774I37.1Very low29.8Very low128 Ų128125.4 Ų125.466%0.65667%0.668SS**  trans56.7101.1157.6-62.4169.9000118.5
1775N30.9Very low30Very low132 Ų132123.1 Ų123.171%0.70666%0.661SS**  trans62143.6138.7-56.245000121.3
1776D31.5Very low30.4Very low121 Ų121126.8 Ų126.865%0.64767%0.667SS**  cis-167.4150-20.4-106.7-36000112.3
1777I30.2Very low30.7Very low133 Ų133126 Ų12668%0.68267%0.669SS**  trans67.8116.9143-65.8169.8000122.3
1778Q29.2Very low31.3Very low161 Ų161128.8 Ų128.875%0.75268%0.677SS**  trans74128.8145.7-76.2170.3-5.400125.1
1779N29Very low31.3Very low123 Ų123129.1 Ų129.166%0.65868%0.678SS**  trans59.2169.4144.8-61.213.3000119.8E1803N1779-E1803 WeakPolarHBondContact CB-OE2 3.23Å
1780M26.4Very low31.7Very low85 Ų85127 Ų12742%0.41967%0.665SS.*  trans133.196143.5-81.933.7-145.400123.2K1801 V1802 E1803M1780-K1801 PolarHBondContact O-NZ 3.24Å; M1780-V1802 CarbonylContact C-O 3.37Å; M1780-V1802 WeakPolarHBondContact CB-O 3.37Å; M1780-V1802 CarbonylContact O-C 2.77Å; M1780-V1802 VanDerWaalsContact O-CA 3.23Å; M1780-V1802 WeakPolarHBondContact O-CA 3.42Å; M1780-V1802 WeakPolarHBondContact O-CB 3.13Å; M1780-V1802 WeakPolarHBondContact O-CG1 3.31Å; M1780-E1803 VanDerWaalsContact C-CD 3.47Å; M1780-E1803 WeakPolarHBondContact CA-OE2 3.33Å; M1780-E1803 HydrophobicContact CB-CB 3.64Å; M1780-E1803 HydrophobicContact CE-CB 3.86Å; M1780-E1803 HydrophobicContact CG-CB 3.58Å; M1780-E1803 PolarHBondContact N-OE2 3.37Å; M1780-E1803 PolarHBondContact O-N 3.4Å; M1780-E1803 HydrophobicContact SD-CB 3.86Å; M1780-E1803 HydrophobicContact SD-CG 4.4Å
1781N28.2Very low32Very low86 Ų86127.1 Ų127.146%0.4667%0.669SS.*  trans-57.2-56.2167.8128.1104.7000134.4V1802 E1803 Q1804N1781-V1802 VanDerWaalsContact C-CB 3.41Å; N1781-V1802 VanDerWaalsContact CA-C 3.43Å; N1781-V1802 VanDerWaalsContact CA-CA 3.47Å; N1781-V1802 VanDerWaalsContact CA-CG1 3.41Å; N1781-V1802 HydrophobicContact CB-CB 3.96Å; N1781-V1802 HydrophobicContact CB-CG1 3.34Å; N1781-V1802 HydrophobicContact CB-CG2 4.3Å; N1781-V1802 WeakPolarHBondContact O-CA 3.47Å; N1781-V1802 VanDerWaalsContact O-CB 3.22Å; N1781-V1802 WeakPolarHBondContact O-CB 3.39Å; N1781-V1802 WeakPolarHBondContact O-CG2 3.39Å; N1781-E1803 WeakPolarHBondContact CA-OE1 3.04Å; N1781-E1803 HydrophobicContact CB-CG 4.43Å; N1781-E1803 WeakPolarHBondContact CB-OE1 3.4Å; N1781-E1803 PolarHBondContact N-OE1 2.93Å; N1781-E1803 PolarHBondContact ND2-OE1 3.33Å; N1781-Q1804 PolarHBondContact ND2-OE1 2.78Å
1782N30.6Very low32.2Very low88 Ų88131.1 Ų131.147%0.47167%0.672SS.*  trans175.5150.8158.2-91.4-42.9000117.9K1801 E1803N1782-K1801 PolarHBondContact OD1-O 3.32Å; N1782-E1803 CarbonylContact C-O 3.41Å; N1782-E1803 CarbonylContact O-C 3.57Å
1783N30Very low32.2Very low138 Ų138130.1 Ų130.174%0.73867%0.667SS**  trans167.2136.9136.6-92.611.3000122.5
1784D33.8Very low32.1Very low133 Ų133131.8 Ų131.871%0.71167%0.668SS**  trans72.7102.5137.3-62.3-12.4000130.9
1785D34.5Very low32Very low120 Ų120130.1 Ų130.164%0.64267%0.668SS**  101.2134.8111.8-114.6-16000129.7
1786K33.6Very low32.2Very low156 Ų156131.5 Ų131.568%0.67867%0.67SS**  trans61.9109.3149.1-78.9147.8-168.71540126.5
1787N34Very low32.1Very low147 Ų147131.5 Ų131.579%0.78667%0.669SS**  158.5154.9103.7-84.9-36.4000118
1788N37.8Very low32.1Very low145 Ų145133.4 Ų133.478%0.77567%0.674SS**  trans67.8106.8156.5-68.3-1.6000124.4
1789E32.3Very low32.1Very low180 Ų180129.9 Ų129.984%0.84167%0.668SS**  trans50.6147.8138-60.5-135.697.800125.1
1790T34Very low32Very low63 Ų63130.7 Ų130.739%0.38768%0.677SS.*  trans-116.1160.9-168.956.60000113.1R1792T1790-R1792 PolarHBondContact OG1-NE 2.68Å
1791P36.4Very low32.1Very low131 Ų131132.7 Ų132.785%0.85168%0.683SS**  -138.9155.4108.738-28.7000114.4
1792R33.2Very low32.1Very low190 Ų190131.4 Ų131.472%0.71768%0.678SS**SBendcis-177.2140.5-38.2-114.6173.4-163.4-170.57.7105.2T1790T1790-R1792 PolarHBondContact OG1-NE 2.68Å
1793I31.2Very low32Very low152 Ų152129.7 Ų129.778%0.77967%0.667SS**SBendcis-133101.416.7-55.2175.4000110.3
1794K31Very low32Very low156 Ų156127.7 Ų127.768%0.67865%0.654SS**  trans33.6109151.4-57-168.6175.4-166.30118.9
1795S34.7Very low31.7Very low93 Ų93128.4 Ų128.465%0.6565%0.653SS**  74.2145.756.981.30000114.8
1796E34.4Very low31.6Very low160 Ų160128.5 Ų128.575%0.74865%0.653SS**  cis152.5140.4-27.1-96.1174133.200109.9
1797I29.9Very low31.5Very low121 Ų121127.9 Ų127.962%0.62166%0.657SS**  trans62.8132.7131.1-60.3171.2000122.3
1798H30.1Very low31.5Very low173 Ų173126.4 Ų126.480%0.80165%0.654SS**  trans62.2173.5156.9-72.7-37.8000121.4
1799S28.7Very low31.5Very low88 Ų88126.2 Ų126.262%0.61565%0.651SS**  175.5124.7-53.4-87.90000111.6
1800V26.8Very low31.7Very low140 Ų140123.7 Ų123.785%0.84864%0.643SS**  trans66158.1154-172.70000118.1
1801K28.8Very low31.8Very low127 Ų127127.2 Ų127.255%0.55266%0.66SS**  trans87.6132.1158.6-120.6-73.9162.5-164.20122.7M1780 N1782M1780-K1801 PolarHBondContact O-NZ 3.24Å; N1782-K1801 PolarHBondContact OD1-O 3.32Å
1802V28.3Very low31.8Very low59 Ų59126.7 Ų126.736%0.35865%0.65SS.*  162.30-50.91560000109.5M1780 N1781M1780-V1802 CarbonylContact C-O 3.37Å; M1780-V1802 WeakPolarHBondContact CB-O 3.37Å; M1780-V1802 CarbonylContact O-C 2.77Å; M1780-V1802 VanDerWaalsContact O-CA 3.23Å; M1780-V1802 WeakPolarHBondContact O-CA 3.42Å; M1780-V1802 WeakPolarHBondContact O-CB 3.13Å; M1780-V1802 WeakPolarHBondContact O-CG1 3.31Å; N1781-V1802 VanDerWaalsContact C-CB 3.41Å; N1781-V1802 VanDerWaalsContact CA-C 3.43Å; N1781-V1802 VanDerWaalsContact CA-CA 3.47Å; N1781-V1802 VanDerWaalsContact CA-CG1 3.41Å; N1781-V1802 HydrophobicContact CB-CB 3.96Å; N1781-V1802 HydrophobicContact CB-CG1 3.34Å; N1781-V1802 HydrophobicContact CB-CG2 4.3Å; N1781-V1802 WeakPolarHBondContact O-CA 3.47Å; N1781-V1802 VanDerWaalsContact O-CB 3.22Å; N1781-V1802 WeakPolarHBondContact O-CB 3.39Å; N1781-V1802 WeakPolarHBondContact O-CG2 3.39Å
1803E28.6Very low31.7Very low51 Ų51124 Ų12424%0.23865%0.649CS.*  0-164.40-120.8106.3-103.100109.4N1779 M1780 N1781 N1782N1779-E1803 WeakPolarHBondContact CB-OE2 3.23Å; M1780-E1803 VanDerWaalsContact C-CD 3.47Å; M1780-E1803 WeakPolarHBondContact CA-OE2 3.33Å; M1780-E1803 HydrophobicContact CB-CB 3.64Å; M1780-E1803 HydrophobicContact CE-CB 3.86Å; M1780-E1803 HydrophobicContact CG-CB 3.58Å; M1780-E1803 PolarHBondContact N-OE2 3.37Å; M1780-E1803 PolarHBondContact O-N 3.4Å; M1780-E1803 HydrophobicContact SD-CB 3.86Å; M1780-E1803 HydrophobicContact SD-CG 4.4Å; N1781-E1803 WeakPolarHBondContact CA-OE1 3.04Å; N1781-E1803 HydrophobicContact CB-CG 4.43Å; N1781-E1803 WeakPolarHBondContact CB-OE1 3.4Å; N1781-E1803 PolarHBondContact N-OE1 2.93Å; N1781-E1803 PolarHBondContact ND2-OE1 3.33Å; N1782-E1803 CarbonylContact C-O 3.41Å; N1782-E1803 CarbonylContact O-C 3.57Å
1804Q29.2Very low31.9Very low97 Ų97123.4 Ų123.445%0.45365%0.645SS.*  cis178.1161-45.2-110.1175.5-116.500103.1N1781N1781-Q1804 PolarHBondContact ND2-OE1 2.78Å
1805E28.6Very low31.7Very low148 Ų148122.5 Ų122.569%0.69265%0.653SS**  trans66.7150.1155.2-76.6153.6-171.700114.9
1806D31.6Very low31.7Very low122 Ų122123.9 Ų123.965%0.65266%0.657SS**  cis-143.716011.6-134.6-30.1000111
1807N32.6Very low31.5Very low142 Ų142125.4 Ų125.476%0.75966%0.662SS**  158.290.5125-85.3-74.9000115.4
1808V33.8Very low31.5Very low117 Ų117125.5 Ų125.571%0.70967%0.668SS**  trans63.3153.9133.1-139.70000121.7
1809I37Very low31.5Very low140 Ų140122.9 Ų122.972%0.71867%0.665SS**  trans81.7114.2162.9-56.9178.1000114.8
1810D36.6Very low31.7Very low127 Ų127127 Ų12768%0.67968%0.679SS**  cis-150.2160.4-2-84-25.7000110.2
1811D35.9Very low32Very low137 Ų137124.4 Ų124.473%0.73368%0.68SS**  trans31.6144.9139.4-52.2-7.4000121.7
1812D35.7Very low32.2Very low120 Ų120122 Ų12264%0.64269%0.691SS**  cis-162.4141.47.2-133.57.1000114
1813I33Very low32.3Very low135 Ų135127.1 Ų127.169%0.69272%0.716SS**  45137.5122.8-73.5-176.8000121
1814I35.5Very low32.5Very low139 Ų139130.7 Ų130.771%0.71375%0.746SS**  cis-155.2169.42.8-126.5174.8000112.5
1815T26.6Very low32.8Very low137 Ų137130.7 Ų130.784%0.8476%0.763SS**  trans-115.3114.6175-300000114.4
1816T32.9Very low33.5Very low121 Ų121129.5 Ų129.574%0.74277%0.767SS**  trans-150.4122.7159.249.20000108.8
1817K30.3Very low34Very low193 Ų193131.9 Ų131.984%0.83978%0.779SS**  cis84.1118.247.5-158.5179.5-172177.20113.4
1818T30.1Very low33.8Very low122 Ų122137.8 Ų137.875%0.74880%0.798SS**  trans94.9125.6160.6-12.70000120.9
1819T31.2Very low33.7Very low119 Ų119138.8 Ų138.873%0.7380%0.802SS**  trans79126.7149.322.20000123.4
1820L32.2Very low33.6Very low175 Ų175138.7 Ų138.792%0.91681%0.807SS**  trans68.3122.8156.5-58171.6000118.5
1821G33Very low33.4Very low84 Ų84139.4 Ų139.487%0.86681%0.814SS**  trans179.614.5178.700000122.5
1822G33.7Very low33.3Very low77 Ų77139.5 Ų139.579%0.79482%0.819SS**  trans77.797.5165.100000117.6
1823D31Very low33.1Very low166 Ų166140.8 Ų140.889%0.88883%0.83SS**  trans-71.5143.3176.9-55.5-87.5000114.2
1824C32.6Very low33.1Very low127 Ų127141.1 Ų141.186%0.85884%0.839SS**  trans-157.6100.9149.9-143.50000114.5
1825A34.8Very low32.9Very low97 Ų97141.3 Ų141.380%0.80285%0.848SS**  trans71.5156.8153.200000119.7
1826P44.2Very low33.4Very low122 Ų122141.6 Ų141.679%0.79285%0.849SS**  trans-126.2-175.5-150.343.8-30.3000114.7
1827L40.7Very low33.5Very low172 Ų172143.3 Ų143.390%0.90186%0.858SS**  trans-153.4138.6141.8-115.4169.8000112.1
1828K27.9Very low33.8Very low266 Ų266138.8 Ų138.8100%1.15786%0.859SS**  trans-149.70167.1-170.7178.9-177.8-178.60108.3

Retrieved 1,828 of 1,828 residues in 311 ms (Link to these results)