A0A077Z739_TRITR Loading...

E3 ubiquitin-protein ligase

Ubiquitin ligase protein which is a component of the N-end rule pathway. Recognizes and binds to proteins bearing specific N-terminal residues that are destabilizing according to the N-end rule, leading to their ubiquitination and subsequent degradation.

AlphaFold DB , UniProt , Accession A0A077Z739, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,813 aa.

>A0A077Z739_TRITR|A0A077Z739
MDEHVQSPALVEVISTRVVRDLTLDRSKFEQLYLEICSYLSKHVPQVYNAYDDPAEQQEPSQEINNLIFRPIVELYCGAAKLDFPEFFKRHNIPQLEASHRCNHVFANGEATYSCRGCAADPTCVLCASCFELSAHKKHKYMITTSSGTGYCDCGDPEAWKADPFCQQHEPKKSLPSHEAVASLLPEGTEQRWQMITECLLIYISNVLLSTSLPKPLVAQQSERGFQCVLFNDELHSYESVIYAVMSTLNCSLSVATLYVTRVDRIGRATIYCGDQADCNAIRDRVAGYSAEQSLRPLEVKTIESSFVAHQYFAQALLDWISGKLLYDCPLLLPTFCAVLMGYEGSCCRASKKCLAATLLTSDSFLWKTCRVSVQRLIMSTLLKEARSRKKFSVLFLKLYPELLDLYILDDYSLVVCSISMSVQVFTVKSIAMNLIKSHDALSHIFKALHSRCVEYHTDDGPLTFRREVGIHPVSFIGQCLKDVSYLLTNVPKKDQWDDLLRVKFVKGYRALTMFLKCMQDMEKSVRHIDVHIEWEPIIETAYNLAESSTSLLQLIHEWASSDAKVASLLLRQAACDVAFYLHKQSYRYRWIDFGCKRVSCIAYDSKVDEVSFFSPLQRMLAGFYLNIPLCEVPFNTWKTLFGVEMNPVELIQSALRVQVCCAETSCGMWRRNGRAAAYQEYAFRSFERRAEMYDRDILLLQIAATLMNTDHFVIQLISSFDLQDFLSHNYQETRSEEEGLQAHITERFLQLLIIVLGERWAIGVGNVTKRDILRRSALHVLFQGPATFSKLEQCVSQDRSDNSFEQIVSSIADFKPPTVCAGGTYSLKEEYLVEYNPFYWHYNKKQVAEADKFQTDFRKEKPTHIKACPPPVAPQFTQLFLPVLRILCCDSFLYLLATIFGRATENSQLVTETQLHRALFLVGMALNEESAQLSADPPPAEGVNFTERAGQVCKWKDLNLTQLLERIRVAKLSAMVRSLLDWTFRMLRSIEQRKDATLKGECSSTPVESSKLDLSSEEGESARKRQCRETALLKRQLAMAHIKQMQESFQTKNKLELEETIHLLEGLSYGTETRQVKEQEFAVSLGPKQSITLPFEDSNADCVLCQESDTVKTDGRLMVYAALIQDSSVYRNRRKKRSRDEDIWNYYYTPFSFNSAVHLSTCGHAMHWECWNAYFAGIAQQEQHQGFMWRSSITPTDPPEYLCPLCKRISNTVVPLLPAARELWHSSASKEEFSYKKWQETIVSVINPLSHWADEVVDVRMLRIPWLKKKTLSPGEIMLRIVRPIEEQERSARADGSSATSNDSENSQTVSEGDASDYFSTGELLDERTSSEWKSHSAYKSYYKPGLQLTNDYKTAIAAFVDSVYAMGYIRTSPCSYYVLQTTYQALAYTIRCVESELELENKALFGAFSRSCLTAFPRCVAYLGAAFGQHYLRFTLLQQLKPFLPSRLFEKATKMVPGQPGIPCVLQIDLFTSYVLMTFMMTALSSEESFEAVLPVGGPCEHHLLRLVLSALFLQIFCSSTDDGPPAMDAALAGSADESAFERLRTPLSEWLKLNGPLPMESAPLRHVILREAVRKFLRMVALFQYSLTLIPPPEALKDPSIKDDFPLVCRYLGLPNTLSELVDFLDMDAIKSWCSLHKVRSLMHDRELPRFPIVHPERLINLPLKYDDALAAWASCKCPSLGTVDSATGSVCLVCGKVICTQPYCCKKALGHRLVSNCFFHSLNCSSAIYLYLRISTCQIQVSAPGCRVCLVSAPYVDDHGETDEGLTRSNPLFFNKTMYEHIQLKWMTHSMPEFVVKHTEIGENGLILL
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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
1M26.9Very low40.9Very low226 Ų226104.8 Ų104.8100%1.11355%0.546SS*.  0138.90-73.7-170.671.900107.2
2D29.9Very low41.9Very low123 Ų123103.9 Ų103.966%0.65854%0.537SS*.  trans73.971172.1-53.6-19.2000117.8
3E31.5Very low42.7Very low188 Ų188101 Ų10188%0.87953%0.526SS*.  trans-111.182.6137.9-77.9-169.5170.600108V5E3-V5 PolarHBondContact O-N 3.2Å
4H32.9Very low43.3Very low166 Ų16693.9 Ų93.977%0.76949%0.489SS*.  trans-67.187.5165.6-81-63.8000108.7Q6H4-Q6 VanDerWaalsContact C-N 3.32Å; H4-Q6 PolarHBondContact O-N 3.01Å
5V36.7Very low43.5Very low122 Ų12290.1 Ų90.174%0.73947%0.474SS*.  trans-63.499.7161.1179.80000106.5E3 S7E3-V5 PolarHBondContact O-N 3.2Å; V5-S7 VanDerWaalsContact C-N 3.32Å; V5-S7 PolarHBondContact O-N 2.85Å
6Q37.3Very low43.7Very low185 Ų18591.6 Ų91.686%0.86449%0.488SS*.  trans-62.296.8166-74.7-176.3-10.500107.4H4H4-Q6 VanDerWaalsContact C-N 3.32Å; H4-Q6 PolarHBondContact O-N 3.01Å
7S47.7Very low43.9Very low47 Ų4799.4 Ų99.433%0.32951%0.509SS..PPolyproline II helixtrans-66.4132.4168.160.10000108.6V5 A9V5-S7 VanDerWaalsContact C-N 3.32Å; V5-S7 PolarHBondContact O-N 2.85Å; S7-A9 PolarHBondContact O-N 3.02Å
8P48.3Very low44.1Very low59 Ų5994.1 Ų94.138%0.38348%0.482SS..PPolyproline II helixtrans-59.2138.1176.421.5-29.7000110.1E12 V13P8-E12 VanDerWaalsContact CA-OE2 3.24Å; P8-E12 WeakPolarHBondContact CA-OE2 3.04Å; P8-E12 HydrophobicContact CB-CB 3.81Å; P8-E12 WeakPolarHBondContact CB-OE2 3.07Å; P8-V13 HydrophobicContact CB-CG2 4.23Å; P8-V13 HydrophobicContact CG-CG2 3.95Å
9A53Low44.2Very low22 Ų2289.4 Ų89.418%0.18246%0.458CS..PPolyproline II helixtrans-56.6151.5177.700000110.4S7 V11 E12 V13S7-A9 PolarHBondContact O-N 3.02Å; A9-V11 PolarHBondContact O-N 2.66Å; A9-E12 HydrophobicContact CB-CG 4.39Å; A9-E12 PolarHBondContact N-OE2 2.69Å; A9-E12 CarbonylContact O-C 3.52Å; A9-E12 WeakPolarHBondContact O-CA 3.49Å; A9-E12 WeakPolarHBondContact O-CB 3.28Å; A9-E12 PolarHBondContact O-N 3.14Å; A9-V13 PolarHBondContact O-N 3.18Å
10L54.6Low44.3Very low4 Ų495.2 Ų95.22%0.02147%0.474CS..Hα-helixtrans-44.9-40.4172.2178.167.1000111.7E12 V13 I14 Y39 P71 I72 L75L10-E12 PolarHBondContact O-N 2.65Å; L10-V13 PolarHBondContact O-N 3.23Å; L10-I14 HydrophobicContact CD1-CD1 3.77Å; L10-I14 HydrophobicContact CD1-CG1 4.31Å; L10-I14 HydrophobicContact CG-CD1 3.76Å; L10-I14 WeakPolarHBondContact O-CB 3.35Å; L10-I14 VanDerWaalsContact O-CG1 3.25Å; L10-I14 WeakPolarHBondContact O-CG1 3.33Å; L10-I14 PolarHBondContact O-N 3.14Å; L10-Y39 VanDerWaalsContact CA-CE2 3.46Å; L10-Y39 HydrophobicContact CB-CD1 4.38Å; L10-Y39 HydrophobicContact CB-CD2 4.13Å; L10-Y39 HydrophobicContact CB-CE1 4.09Å; L10-Y39 HydrophobicContact CB-CE2 3.82Å; L10-Y39 HydrophobicContact CB-CG 4.39Å; L10-Y39 HydrophobicContact CD1-CD1 3.53Å; L10-Y39 HydrophobicContact CD1-CD2 3.53Å; L10-Y39 HydrophobicContact CD1-CE1 4.11Å; L10-Y39 HydrophobicContact CD1-CE2 4.12Å; L10-Y39 HydrophobicContact CD1-CG 3.18Å; L10-Y39 HydrophobicContact CG-CD1 4.41Å; L10-Y39 HydrophobicContact CG-CD2 4.44Å; L10-Y39 HydrophobicContact CG-CG 4.33Å; L10-P71 HydrophobicContact CB-CB 3.38Å; L10-P71 HydrophobicContact CD2-CB 4.33Å; L10-I72 HydrophobicContact CD2-CG1 4.19Å; L10-L75 HydrophobicContact CD2-CB 4.36Å; L10-L75 HydrophobicContact CD2-CD2 4.04Å
11V51.2Low44.5Very low11 Ų1194.4 Ų94.47%0.06747%0.472CS..Hα-helixtrans-63.1-37.7175.8-178.80000112.5A9 I14 S15 V19 E74 A80A9-V11 PolarHBondContact O-N 2.66Å; V11-I14 CarbonylContact O-C 3.51Å; V11-S15 WeakPolarHBondContact O-CA 3.39Å; V11-S15 WeakPolarHBondContact O-CB 3.44Å; V11-S15 PolarHBondContact O-N 3.35Å; V11-V19 HydrophobicContact CG1-CG1 4.48Å; V11-E74 HydrophobicContact CG2-CB 3.64Å; V11-A80 HydrophobicContact CB-CB 4.18Å; V11-A80 HydrophobicContact CG1-CB 4.12Å
12E52.9Low45.5Very low94 Ų9488.4 Ų88.444%0.43944%0.443SS..Hα-helixtrans-72.4-37.2175.6-71.8-179.7166.800112.6P8 A9 L10 S15P8-E12 VanDerWaalsContact CA-OE2 3.24Å; P8-E12 WeakPolarHBondContact CA-OE2 3.04Å; P8-E12 HydrophobicContact CB-CB 3.81Å; P8-E12 WeakPolarHBondContact CB-OE2 3.07Å; A9-E12 HydrophobicContact CB-CG 4.39Å; A9-E12 PolarHBondContact N-OE2 2.69Å; A9-E12 CarbonylContact O-C 3.52Å; A9-E12 WeakPolarHBondContact O-CA 3.49Å; A9-E12 WeakPolarHBondContact O-CB 3.28Å; A9-E12 PolarHBondContact O-N 3.14Å; L10-E12 PolarHBondContact O-N 2.65Å; E12-S15 VanDerWaalsContact O-CB 3.27Å; E12-S15 WeakPolarHBondContact O-CB 3.42Å; E12-S15 PolarHBondContact O-N 3.19Å; E12-S15 VanDerWaalsContact O-N 3.09Å; E12-S15 PolarHBondContact O-OG 3.33Å
13V52.4Low46.6Very low66 Ų6686.4 Ų86.440%0.444%0.436SS..Hα-helixtrans-64.4-44.3173.4178.20000110.5P8 A9 L10 S15 Y39P8-V13 HydrophobicContact CB-CG2 4.23Å; P8-V13 HydrophobicContact CG-CG2 3.95Å; A9-V13 PolarHBondContact O-N 3.18Å; L10-V13 PolarHBondContact O-N 3.23Å; V13-S15 PolarHBondContact O-N 3.4Å; V13-Y39 HydrophobicContact CB-CD2 4.32Å; V13-Y39 HydrophobicContact CG2-CD2 4.09Å; V13-Y39 HydrophobicContact CG2-CE2 4.21Å
14I51Low48.1Very low1 Ų177.5 Ų77.51%0.00539%0.394CS..Hα-helixtrans-72.8-15173.4-61.9170000111.8L10 V11 T16 V18 V19 L32 E35 L75L10-I14 HydrophobicContact CD1-CD1 3.77Å; L10-I14 HydrophobicContact CD1-CG1 4.31Å; L10-I14 HydrophobicContact CG-CD1 3.76Å; L10-I14 WeakPolarHBondContact O-CB 3.35Å; L10-I14 VanDerWaalsContact O-CG1 3.25Å; L10-I14 WeakPolarHBondContact O-CG1 3.33Å; L10-I14 PolarHBondContact O-N 3.14Å; V11-I14 CarbonylContact O-C 3.51Å; I14-T16 PolarHBondContact O-N 2.88Å; I14-V18 HydrophobicContact CG2-CB 4.25Å; I14-V19 HydrophobicContact CB-CG2 4.25Å; I14-V19 HydrophobicContact CG2-CB 3.74Å; I14-V19 HydrophobicContact CG2-CG2 3.14Å; I14-L32 HydrophobicContact CD1-CD1 4.44Å; I14-E35 HydrophobicContact CG1-CB 4.16Å; I14-E35 VanDerWaalsContact CG2-OE2 3.24Å; I14-E35 WeakPolarHBondContact CG2-OE2 3.35Å; I14-L75 HydrophobicContact CD1-CD1 3.74Å; I14-L75 HydrophobicContact CD1-CD2 4.25Å
15S46.8Very low49.8Very low38 Ų3873.8 Ų73.827%0.26638%0.38SS..THydrogen-bonded Turntrans-69.7-2.9-173.381.20000115.3V11 E12 V13 R17V11-S15 WeakPolarHBondContact O-CA 3.39Å; V11-S15 WeakPolarHBondContact O-CB 3.44Å; V11-S15 PolarHBondContact O-N 3.35Å; E12-S15 VanDerWaalsContact O-CB 3.27Å; E12-S15 WeakPolarHBondContact O-CB 3.42Å; E12-S15 PolarHBondContact O-N 3.19Å; E12-S15 VanDerWaalsContact O-N 3.09Å; E12-S15 PolarHBondContact O-OG 3.33Å; V13-S15 PolarHBondContact O-N 3.4Å; S15-R17 PolarHBondContact O-N 3.46Å
16T46.6Very low51.6Low114 Ų11475.7 Ų75.770%0.69937%0.374SS*.THydrogen-bonded Turntrans-72.5-9.1-17949.40000114.4I14I14-T16 PolarHBondContact O-N 2.88Å
17R46.2Very low53.4Low223 Ų22371.2 Ų71.284%0.84236%0.363SS*.THydrogen-bonded Turntrans-176.7-16.7156.8-103.9150.8-168.9-160.64.5116.3S15S15-R17 PolarHBondContact O-N 3.46Å
18V47.3Very low54.9Low5 Ų571.4 Ų71.43%0.0336%0.358CS..THydrogen-bonded Turntrans-90-38.9-159.8179.70000114.8I14 L24 K28 Q31I14-V18 HydrophobicContact CG2-CB 4.25Å; V18-L24 HydrophobicContact CG1-CD2 4.02Å; V18-K28 HydrophobicContact CG1-CD 4.26Å; V18-Q31 VanDerWaalsContact CG2-CD 3.49Å; V18-Q31 HydrophobicContact CG2-CG 4.27Å
19V45.8Very low56.6Low4 Ų470.5 Ų70.52%0.02435%0.348CS..SBendtrans-96.3-15.5-168.6164.50000115.4V11 I14 D21 L75V11-V19 HydrophobicContact CG1-CG1 4.48Å; I14-V19 HydrophobicContact CB-CG2 4.25Å; I14-V19 HydrophobicContact CG2-CB 3.74Å; I14-V19 HydrophobicContact CG2-CG2 3.14Å; V19-D21 PolarHBondContact O-N 2.81Å; V19-L75 HydrophobicContact CG1-CD1 4.2Å; V19-L75 HydrophobicContact CG2-CD1 3.8Å
20R46.3Very low58Low206 Ų20676.3 Ų76.378%0.77737%0.372SS*.SBendtrans-67.8-21.7176-74.4-170.9-177.7177.83.3113L22R20-L22 PolarHBondContact O-N 3.27Å
21D49Very low59.4Low78 Ų7880.5 Ų80.542%0.41739%0.391SS..SBendtrans-71117.8168.1-77-23.2000109V19 T23 K28V19-D21 PolarHBondContact O-N 2.81Å; D21-T23 PolarHBondContact O-N 2.77Å; D21-T23 VanDerWaalsContact O-N 3.1Å; D21-K28 IonicContact OD2-NZ 3.17Å; D21-K28 PolarHBondContact OD2-NZ 2.93Å; D21-K28 VanDerWaalsContact OD2-NZ 3.17Å
22L47.3Very low61Low100 Ų10080 Ų8052%0.52439%0.388SS..SBendtrans-55.8-21.3167.1-73.6168.3000111.9R20 L24R20-L22 PolarHBondContact O-N 3.27Å; L22-L24 PolarHBondContact O-N 3.43Å
23T54.1Low62.7Low81 Ų8176.5 Ų76.550%0.49737%0.371SS..  trans-96.876.3176.658.90000110.9D21 D25D21-T23 PolarHBondContact O-N 2.77Å; D21-T23 VanDerWaalsContact O-N 3.1Å; T23-D25 PolarHBondContact O-N 3.3Å
24L61.6Low64.3Low1 Ų177.3 Ų77.31%0.00537%0.373CS..  trans-65.6100.3161-89.5160.3000107.7V18 L22 L32 R192 M195V18-L24 HydrophobicContact CG1-CD2 4.02Å; L22-L24 PolarHBondContact O-N 3.43Å; L24-L32 HydrophobicContact CD2-CD2 4.45Å; L24-R192 HydrophobicContact CB-CB 4.48Å; L24-R192 HydrophobicContact CD1-CB 3.82Å; L24-R192 HydrophobicContact CD1-CG 3.61Å; L24-M195 HydrophobicContact CB-CE 4.36Å; L24-M195 HydrophobicContact CB-SD 3.82Å; L24-M195 HydrophobicContact CD2-CE 4.18Å
25D69.7Low66Low88 Ų8879.2 Ų79.247%0.47138%0.382SS..  trans-74.6142.2172178.917000109.7T23 S27 K28 M195T23-D25 PolarHBondContact O-N 3.3Å; D25-S27 VanDerWaalsContact CG-OG 3.22Å; D25-S27 PolarHBondContact O-N 2.9Å; D25-S27 VanDerWaalsContact O-N 3.08Å; D25-S27 PolarHBondContact OD1-N 3.49Å; D25-S27 WeakPolarHBondContact OD2-CB 3.17Å; D25-S27 PolarHBondContact OD2-OG 3.21Å; D25-K28 WeakPolarHBondContact O-CB 3.22Å; D25-K28 PolarHBondContact O-N 3.18Å; D25-M195 WeakPolarHBondContact O-CE 3.33Å
26R74.2Confident68Low162 Ų16277.6 Ų77.661%0.61137%0.37SS*.G310 helixtrans-57.8-23.9178.5-164.7170-171.8167.84.6112.6K28 F29R26-K28 PolarHBondContact O-N 3.34Å; R26-F29 WeakPolarHBondContact O-CB 3.32Å; R26-F29 PolarHBondContact O-N 3.11Å; R26-F29 VanDerWaalsContact O-N 3.13Å
27S75.1Confident70Confident92 Ų9272.2 Ų72.264%0.64334%0.337SS*.G310 helixtrans-59.1-26.8172.165.50000113.6D25 F29D25-S27 VanDerWaalsContact CG-OG 3.22Å; D25-S27 PolarHBondContact O-N 2.9Å; D25-S27 VanDerWaalsContact O-N 3.08Å; D25-S27 PolarHBondContact OD1-N 3.49Å; D25-S27 WeakPolarHBondContact OD2-CB 3.17Å; D25-S27 PolarHBondContact OD2-OG 3.21Å; S27-F29 VanDerWaalsContact C-N 3.33Å
28K79.2Confident72Confident51 Ų5165 Ų6522%0.22232%0.321CS..G310 helixtrans-87.63.7178.4-59.5-178.3-178.7173.40113.6V18 D21 D25 R26 E30 Q31 L32V18-K28 HydrophobicContact CG1-CD 4.26Å; D21-K28 IonicContact OD2-NZ 3.17Å; D21-K28 PolarHBondContact OD2-NZ 2.93Å; D21-K28 VanDerWaalsContact OD2-NZ 3.17Å; D25-K28 WeakPolarHBondContact O-CB 3.22Å; D25-K28 PolarHBondContact O-N 3.18Å; R26-K28 PolarHBondContact O-N 3.34Å; K28-E30 PolarHBondContact O-N 3.5Å; K28-Q31 PolarHBondContact O-N 2.85Å; K28-L32 PolarHBondContact O-N 2.85Å
29F83.7Confident73.9Confident39 Ų3965.1 Ų65.117%0.17132%0.32CS..Hα-helixtrans-56.7-48.7-174.9176.4-94.6000113.7R26 S27 Q31 L32 Y33 M195 E198 C199 I202R26-F29 WeakPolarHBondContact O-CB 3.32Å; R26-F29 PolarHBondContact O-N 3.11Å; R26-F29 VanDerWaalsContact O-N 3.13Å; S27-F29 VanDerWaalsContact C-N 3.33Å; F29-Q31 VanDerWaalsContact C-N 3.29Å; F29-Q31 PolarHBondContact O-N 2.62Å; F29-L32 PolarHBondContact O-N 2.91Å; F29-Y33 PolarHBondContact O-N 2.71Å; F29-M195 HydrophobicContact CB-CE 4.02Å; F29-M195 HydrophobicContact CD2-CB 4.37Å; F29-M195 HydrophobicContact CD2-CE 4.49Å; F29-M195 HydrophobicContact CD2-CG 4.33Å; F29-E198 HydrophobicContact CE2-CB 3.87Å; F29-E198 HydrophobicContact CE2-CG 3.66Å; F29-E198 HydrophobicContact CZ-CB 4.38Å; F29-E198 HydrophobicContact CZ-CG 3.77Å; F29-C199 VanDerWaalsContact CE2-SG 3.51Å; F29-I202 HydrophobicContact CE1-CD1 4.33Å; F29-I202 HydrophobicContact CZ-CD1 3.71Å
30E83.1Confident76Confident144 Ų14465 Ų6567%0.67332%0.32SS*.Hα-helixtrans-62.5-39.2-178.9-173.4172.3-171.800111.4K28 Y33 L34K28-E30 PolarHBondContact O-N 3.5Å; E30-Y33 PolarHBondContact O-N 3.12Å; E30-L34 HydrophobicContact CG-CD1 4.34Å; E30-L34 WeakPolarHBondContact O-CB 3.44Å; E30-L34 VanDerWaalsContact O-CG 3.27Å; E30-L34 WeakPolarHBondContact O-CG 3.41Å; E30-L34 PolarHBondContact O-N 3.2Å
31Q83Confident78Confident92 Ų9256.1 Ų56.143%0.4329%0.289SS..Hα-helixtrans-63.3-48.6175.1-176.5176.62.900111.6V18 K28 F29 Y33 L34 E35V18-Q31 VanDerWaalsContact CG2-CD 3.49Å; V18-Q31 HydrophobicContact CG2-CG 4.27Å; K28-Q31 PolarHBondContact O-N 2.85Å; F29-Q31 VanDerWaalsContact C-N 3.29Å; F29-Q31 PolarHBondContact O-N 2.62Å; Q31-Y33 VanDerWaalsContact C-N 3.31Å; Q31-Y33 PolarHBondContact O-N 3.26Å; Q31-L34 PolarHBondContact O-N 3.06Å; Q31-E35 WeakPolarHBondContact CG-OE1 3.28Å; Q31-E35 PolarHBondContact NE2-OE1 3.17Å; Q31-E35 WeakPolarHBondContact O-CG 3.34Å; Q31-E35 PolarHBondContact O-N 3.36Å
32L85.1Confident79.8Confident0 Ų058.5 Ų58.50%030%0.296CS..Hα-helixtrans-58.8-43.7177.7178.465.1000111.5I14 L24 K28 F29 E35 I36 M195 I196I14-L32 HydrophobicContact CD1-CD1 4.44Å; L24-L32 HydrophobicContact CD2-CD2 4.45Å; K28-L32 PolarHBondContact O-N 2.85Å; F29-L32 PolarHBondContact O-N 2.91Å; L32-E35 PolarHBondContact O-N 3.48Å; L32-I36 HydrophobicContact CD1-CD1 4.11Å; L32-I36 HydrophobicContact CD1-CG1 4.4Å; L32-I36 HydrophobicContact CG-CD1 3.98Å; L32-I36 WeakPolarHBondContact O-CG1 3.49Å; L32-I36 PolarHBondContact O-N 3.41Å; L32-M195 HydrophobicContact CD2-CB 3.99Å; L32-M195 HydrophobicContact CD2-CE 4.16Å; L32-I196 HydrophobicContact CD2-CG1 4.34Å
33Y88.2Confident81.7Confident22 Ų2254 Ų549%0.08627%0.272CS..Hα-helixtrans-62-44.5178.1177.2-105.7000112F29 E30 Q31 I36 C37 C199 I202 N206 P216F29-Y33 PolarHBondContact O-N 2.71Å; E30-Y33 PolarHBondContact O-N 3.12Å; Q31-Y33 VanDerWaalsContact C-N 3.31Å; Q31-Y33 PolarHBondContact O-N 3.26Å; Y33-I36 PolarHBondContact O-N 2.94Å; Y33-C37 WeakPolarHBondContact O-CB 3.44Å; Y33-C37 PolarHBondContact O-N 3.24Å; Y33-C37 PolarHBondContact O-SG 2.77Å; Y33-C199 HydrophobicContact CD2-CB 4.04Å; Y33-I202 HydrophobicContact CD2-CG2 4.45Å; Y33-I202 HydrophobicContact CE2-CB 4.21Å; Y33-I202 HydrophobicContact CE2-CG2 3.71Å; Y33-N206 PolarHBondContact OH-ND2 2.78Å; Y33-P216 HydrophobicContact CE1-CB 4.48Å; Y33-P216 HydrophobicContact CE1-CG 4.13Å
34L87.7Confident83.3Confident83 Ų8350.2 Ų50.244%0.43525%0.249SC..Hα-helixtrans-65.1-38.3177.2-71.1174.3000112E30 Q31 C37 S38 P216E30-L34 HydrophobicContact CG-CD1 4.34Å; E30-L34 WeakPolarHBondContact O-CB 3.44Å; E30-L34 VanDerWaalsContact O-CG 3.27Å; E30-L34 WeakPolarHBondContact O-CG 3.41Å; E30-L34 PolarHBondContact O-N 3.2Å; Q31-L34 PolarHBondContact O-N 3.06Å; L34-C37 PolarHBondContact O-N 3.3Å; L34-S38 WeakPolarHBondContact O-CB 3.36Å; L34-S38 PolarHBondContact O-N 3.39Å; L34-P216 HydrophobicContact CD2-CB 4Å; L34-P216 HydrophobicContact CD2-CG 4.3Å
35E85.8Confident84.4Confident41 Ų4151.8 Ų51.819%0.19226%0.259CS..Hα-helixtrans-67.3-43.1177-73.3172.8-175.400112I14 Q31 L32 S38 Y39I14-E35 HydrophobicContact CG1-CB 4.16Å; I14-E35 VanDerWaalsContact CG2-OE2 3.24Å; I14-E35 WeakPolarHBondContact CG2-OE2 3.35Å; Q31-E35 WeakPolarHBondContact CG-OE1 3.28Å; Q31-E35 PolarHBondContact NE2-OE1 3.17Å; Q31-E35 WeakPolarHBondContact O-CG 3.34Å; Q31-E35 PolarHBondContact O-N 3.36Å; L32-E35 PolarHBondContact O-N 3.48Å; E35-S38 PolarHBondContact O-N 2.92Å; E35-Y39 PolarHBondContact O-N 3.43Å
36I88.8Confident85Confident4 Ų452 Ų522%0.02126%0.257CS..Hα-helixtrans-60.6-47.5172.5-68.7167.9000110L32 Y33 S38 Y39 L40 L75 C199L32-I36 HydrophobicContact CD1-CD1 4.11Å; L32-I36 HydrophobicContact CD1-CG1 4.4Å; L32-I36 HydrophobicContact CG-CD1 3.98Å; L32-I36 WeakPolarHBondContact O-CG1 3.49Å; L32-I36 PolarHBondContact O-N 3.41Å; Y33-I36 PolarHBondContact O-N 2.94Å; I36-S38 VanDerWaalsContact C-N 3.33Å; I36-S38 PolarHBondContact O-N 3.5Å; I36-Y39 PolarHBondContact O-N 3.09Å; I36-L40 HydrophobicContact CG2-CD1 3.81Å; I36-L40 HydrophobicContact CG2-CG 4.27Å; I36-L40 WeakPolarHBondContact O-CB 3.38Å; I36-L40 VanDerWaalsContact O-CG 3.3Å; I36-L40 WeakPolarHBondContact O-CG 3.25Å; I36-L40 PolarHBondContact O-N 3.35Å; I36-L75 HydrophobicContact CD1-CD2 3.99Å; I36-L75 HydrophobicContact CG1-CD2 4.22Å; I36-C199 HydrophobicContact CD1-CB 3.67Å
37C89.7Confident85.4Confident0 Ų044.8 Ų44.80%023%0.231CC..Hα-helixtrans-59.4-43176.8-71.50000111.9Y33 L34 Y39 L40 S41 P216 L217Y33-C37 WeakPolarHBondContact O-CB 3.44Å; Y33-C37 PolarHBondContact O-N 3.24Å; Y33-C37 PolarHBondContact O-SG 2.77Å; L34-C37 PolarHBondContact O-N 3.3Å; C37-Y39 VanDerWaalsContact C-N 3.31Å; C37-Y39 PolarHBondContact O-N 3.18Å; C37-L40 PolarHBondContact O-N 2.85Å; C37-S41 WeakPolarHBondContact O-CB 3.34Å; C37-S41 PolarHBondContact O-N 3.28Å; C37-S41 PolarHBondContact O-OG 3.2Å; C37-P216 HydrophobicContact CB-CB 3.84Å; C37-L217 HydrophobicContact CB-CD2 3.71Å; C37-L217 HydrophobicContact CB-CG 4.44Å; C37-L217 WeakPolarHBondContact O-CD2 3.34Å
38S86.4Confident85.6Confident72 Ų7241.4 Ų41.450%0.50320%0.204SC..Hα-helixtrans-65-33178.2-175.30000112.9L34 E35 I36 S41L34-S38 WeakPolarHBondContact O-CB 3.36Å; L34-S38 PolarHBondContact O-N 3.39Å; E35-S38 PolarHBondContact O-N 2.92Å; I36-S38 VanDerWaalsContact C-N 3.33Å; I36-S38 PolarHBondContact O-N 3.5Å; S38-S41 PolarHBondContact O-OG 3.27Å
39Y87.2Confident85.3Confident7 Ų743.2 Ų43.23%0.02722%0.217CC..Hα-helixtrans-72-46.5174.4-176.5-90000110.9L10 V13 E35 I36 C37 S41 K42 H43 L67L10-Y39 VanDerWaalsContact CA-CE2 3.46Å; L10-Y39 HydrophobicContact CB-CD1 4.38Å; L10-Y39 HydrophobicContact CB-CD2 4.13Å; L10-Y39 HydrophobicContact CB-CE1 4.09Å; L10-Y39 HydrophobicContact CB-CE2 3.82Å; L10-Y39 HydrophobicContact CB-CG 4.39Å; L10-Y39 HydrophobicContact CD1-CD1 3.53Å; L10-Y39 HydrophobicContact CD1-CD2 3.53Å; L10-Y39 HydrophobicContact CD1-CE1 4.11Å; L10-Y39 HydrophobicContact CD1-CE2 4.12Å; L10-Y39 HydrophobicContact CD1-CG 3.18Å; L10-Y39 HydrophobicContact CG-CD1 4.41Å; L10-Y39 HydrophobicContact CG-CD2 4.44Å; L10-Y39 HydrophobicContact CG-CG 4.33Å; V13-Y39 HydrophobicContact CB-CD2 4.32Å; V13-Y39 HydrophobicContact CG2-CD2 4.09Å; V13-Y39 HydrophobicContact CG2-CE2 4.21Å; E35-Y39 PolarHBondContact O-N 3.43Å; I36-Y39 PolarHBondContact O-N 3.09Å; C37-Y39 VanDerWaalsContact C-N 3.31Å; C37-Y39 PolarHBondContact O-N 3.18Å; Y39-S41 PolarHBondContact O-N 3.37Å; Y39-K42 PolarHBondContact O-N 3.36Å; Y39-H43 AromaticContact CD1-CD2 3.84Å; Y39-H43 AromaticContact CD2-CD2 3.8Å; Y39-H43 AromaticContact CE1-CD2 3.63Å; Y39-H43 AromaticContact CE2-CD2 3.59Å; Y39-H43 AromaticContact CE2-NE2 3.63Å; Y39-H43 AromaticContact CG-CD2 3.93Å; Y39-H43 AromaticContact CZ-CD2 3.5Å; Y39-H43 AromaticContact CZ-NE2 3.84Å; Y39-H43 PolarHBondContact O-CD2 3.38Å; Y39-H43 VanDerWaalsContact O-CD2 3.3Å; Y39-H43 PolarHBondContact O-N 3.09Å; Y39-H43 VanDerWaalsContact O-N 3.16Å; Y39-L67 WeakPolarHBondContact CE1-O 3.46Å; Y39-L67 PolarHBondContact OH-O 2.97Å
40L90.9Very high84.4Confident3 Ų343.2 Ų43.22%0.01622%0.224CC..Hα-helixtrans-64.6-39.2-179.9-67.2177.5000111.9I36 C37 K42 H43 V44 I68 Y203 L217 H310 F313I36-L40 HydrophobicContact CG2-CD1 3.81Å; I36-L40 HydrophobicContact CG2-CG 4.27Å; I36-L40 WeakPolarHBondContact O-CB 3.38Å; I36-L40 VanDerWaalsContact O-CG 3.3Å; I36-L40 WeakPolarHBondContact O-CG 3.25Å; I36-L40 PolarHBondContact O-N 3.35Å; C37-L40 PolarHBondContact O-N 2.85Å; L40-K42 PolarHBondContact O-N 3.3Å; L40-H43 PolarHBondContact O-N 3.16Å; L40-V44 HydrophobicContact CB-CG2 4.07Å; L40-V44 HydrophobicContact CD2-CG2 4.05Å; L40-V44 VanDerWaalsContact O-CB 3.24Å; L40-V44 WeakPolarHBondContact O-CB 3.38Å; L40-V44 VanDerWaalsContact O-CG2 3.29Å; L40-V44 WeakPolarHBondContact O-CG2 3.25Å; L40-V44 PolarHBondContact O-N 3.31Å; L40-I68 HydrophobicContact CD2-CG2 3.75Å; L40-Y203 HydrophobicContact CB-CE2 4.39Å; L40-Y203 HydrophobicContact CD1-CD1 4.24Å; L40-Y203 HydrophobicContact CD1-CD2 3.75Å; L40-Y203 HydrophobicContact CD1-CE1 4.22Å; L40-Y203 HydrophobicContact CD1-CE2 3.67Å; L40-Y203 HydrophobicContact CD1-CG 4.05Å; L40-L217 HydrophobicContact CB-CD2 4.46Å; L40-H310 PolarHBondContact O-CE1 2.97Å; L40-F313 HydrophobicContact CD1-CE1 4.03Å; L40-F313 HydrophobicContact CD2-CE1 3.67Å; L40-F313 HydrophobicContact CD2-CZ 3.81Å; L40-F313 HydrophobicContact CG-CE1 4.44Å
41S88.9Confident83.6Confident19 Ų1940.9 Ų40.913%0.13321%0.21CC..Hα-helixtrans-61.6-27.9177.665.50000113.2C37 S38 Y39 P45 L217C37-S41 WeakPolarHBondContact O-CB 3.34Å; C37-S41 PolarHBondContact O-N 3.28Å; C37-S41 PolarHBondContact O-OG 3.2Å; S38-S41 PolarHBondContact O-OG 3.27Å; Y39-S41 PolarHBondContact O-N 3.37Å; S41-P45 WeakPolarHBondContact O-CD 3.18Å; S41-L217 VanDerWaalsContact CB-O 3.22Å; S41-L217 WeakPolarHBondContact CB-O 3.22Å
42K85.3Confident82.2Confident127 Ų12744.6 Ų44.655%0.55223%0.233SC*.Hα-helixtrans-80.5-41.8175.8-174.5-179.3177.5-175.80112.8Y39 L40 Q46Y39-K42 PolarHBondContact O-N 3.36Å; L40-K42 PolarHBondContact O-N 3.3Å; K42-Q46 WeakPolarHBondContact O-CG 3.23Å; K42-Q46 PolarHBondContact O-NE2 3.07Å
43H87.2Confident81Confident7 Ų748.2 Ų48.23%0.03225%0.252CS..Hα-helixtrans-99.5-29.3-167.6-71.7-67.8000114.8Y39 L40 Q46 V47 I68Y39-H43 AromaticContact CD1-CD2 3.84Å; Y39-H43 AromaticContact CD2-CD2 3.8Å; Y39-H43 AromaticContact CE1-CD2 3.63Å; Y39-H43 AromaticContact CE2-CD2 3.59Å; Y39-H43 AromaticContact CE2-NE2 3.63Å; Y39-H43 AromaticContact CG-CD2 3.93Å; Y39-H43 AromaticContact CZ-CD2 3.5Å; Y39-H43 AromaticContact CZ-NE2 3.84Å; Y39-H43 PolarHBondContact O-CD2 3.38Å; Y39-H43 VanDerWaalsContact O-CD2 3.3Å; Y39-H43 PolarHBondContact O-N 3.09Å; Y39-H43 VanDerWaalsContact O-N 3.16Å; L40-H43 PolarHBondContact O-N 3.16Å; H43-Q46 PolarHBondContact ND1-OE1 2.92Å; H43-Q46 VanDerWaalsContact ND1-OE1 3.15Å; H43-Q46 WeakPolarHBondContact O-CB 2.94Å; H43-Q46 PolarHBondContact O-N 2.84Å; H43-V47 PolarHBondContact O-N 3.19Å; H43-I68 HydrophobicContact CB-CD1 4.37Å; H43-I68 HydrophobicContact CB-CG1 4.34Å
44V89.1Confident79.6Confident0 Ų048 Ų480%025%0.253CS..Hα-helixtrans-63.6-45.8-178.71690000112.4L40 Q46 V47 Y48 I68 A309 F313L40-V44 HydrophobicContact CB-CG2 4.07Å; L40-V44 HydrophobicContact CD2-CG2 4.05Å; L40-V44 VanDerWaalsContact O-CB 3.24Å; L40-V44 WeakPolarHBondContact O-CB 3.38Å; L40-V44 VanDerWaalsContact O-CG2 3.29Å; L40-V44 WeakPolarHBondContact O-CG2 3.25Å; L40-V44 PolarHBondContact O-N 3.31Å; V44-Q46 PolarHBondContact O-N 2.85Å; V44-V47 PolarHBondContact O-N 2.74Å; V44-V47 VanDerWaalsContact O-N 3.16Å; V44-Y48 HydrophobicContact CG1-CD2 4.38Å; V44-Y48 PolarHBondContact O-N 3.02Å; V44-I68 HydrophobicContact CG2-CD1 3.9Å; V44-A309 HydrophobicContact CG1-CB 4.29Å; V44-F313 HydrophobicContact CB-CB 4.47Å; V44-F313 HydrophobicContact CG1-CB 3.54Å; V44-F313 HydrophobicContact CG1-CD1 4.47Å; V44-F313 HydrophobicContact CG1-CG 4.07Å; V44-F313 HydrophobicContact CG2-CB 4.08Å; V44-F313 HydrophobicContact CG2-CD1 3.56Å; V44-F313 HydrophobicContact CG2-CD2 4.14Å; V44-F313 HydrophobicContact CG2-CE1 4.03Å; V44-F313 HydrophobicContact CG2-CG 3.62Å
45P84.7Confident78.3Confident34 Ų3445.1 Ų45.122%0.22124%0.241CC..Hα-helixtrans-57.7-36.5175.2-26.336.5000112.6S41 V47 Y48 N49S41-P45 WeakPolarHBondContact O-CD 3.18Å; P45-V47 VanDerWaalsContact C-N 3.3Å; P45-V47 PolarHBondContact O-N 3.12Å; P45-Y48 CarbonylContact O-C 3.38Å; P45-Y48 PolarHBondContact O-N 2.93Å; P45-N49 WeakPolarHBondContact O-CA 3.33Å; P45-N49 PolarHBondContact O-N 3.44Å; P45-N49 VanDerWaalsContact O-N 3.12Å; P45-N49 PolarHBondContact O-OD1 3.47Å
46Q82.1Confident77Confident93 Ų9348.7 Ų48.744%0.43526%0.258SS..Hα-helixtrans-63.3-34.4179.2-59.6175.2-14.100112.9K42 H43 V44 N49K42-Q46 WeakPolarHBondContact O-CG 3.23Å; K42-Q46 PolarHBondContact O-NE2 3.07Å; H43-Q46 PolarHBondContact ND1-OE1 2.92Å; H43-Q46 VanDerWaalsContact ND1-OE1 3.15Å; H43-Q46 WeakPolarHBondContact O-CB 2.94Å; H43-Q46 PolarHBondContact O-N 2.84Å; V44-Q46 PolarHBondContact O-N 2.85Å; Q46-N49 PolarHBondContact O-ND2 2.94Å; Q46-N49 VanDerWaalsContact O-ND2 3.12Å
47V81.3Confident75.2Confident11 Ų1152.8 Ų52.87%0.06728%0.277CS..Hα-helixtrans-83.3-39.3-179.3175.50000111.6H43 V44 P45 I64 L67 I68H43-V47 PolarHBondContact O-N 3.19Å; V44-V47 PolarHBondContact O-N 2.74Å; V44-V47 VanDerWaalsContact O-N 3.16Å; P45-V47 VanDerWaalsContact C-N 3.3Å; P45-V47 PolarHBondContact O-N 3.12Å; V47-I64 HydrophobicContact CG1-CB 3.8Å; V47-I64 HydrophobicContact CG1-CD1 4.22Å; V47-I64 HydrophobicContact CG1-CG1 4.02Å; V47-L67 HydrophobicContact CG2-CD1 3.97Å; V47-I68 HydrophobicContact CG2-CD1 4.17Å
48Y81.3Confident73.5Confident20 Ų2055.3 Ų55.38%0.07829%0.288CS..SBendtrans-112.255.1-178.7-67.4-82.4000110.9V44 P45 I64 A309 Y312 F313 A316V44-Y48 HydrophobicContact CG1-CD2 4.38Å; V44-Y48 PolarHBondContact O-N 3.02Å; P45-Y48 CarbonylContact O-C 3.38Å; P45-Y48 PolarHBondContact O-N 2.93Å; Y48-I64 HydrophobicContact CE2-CD1 3.73Å; Y48-I64 VanDerWaalsContact OH-CD1 3.26Å; Y48-I64 WeakPolarHBondContact OH-CD1 3.47Å; Y48-A309 WeakPolarHBondContact O-CB 3.39Å; Y48-Y312 HydrophobicContact CD1-CG 4.47Å; Y48-F313 HydrophobicContact CD2-CB 3.99Å; Y48-F313 HydrophobicContact CE2-CB 3.75Å; Y48-F313 HydrophobicContact CE2-CD2 4.09Å; Y48-F313 HydrophobicContact CE2-CG 4.42Å; Y48-A316 WeakPolarHBondContact OH-CB 3.33Å
49N71.8Confident71.8Confident90 Ų9057.7 Ų57.748%0.48129%0.292SS..PPolyproline II helixtrans-63.1149.6177.1-80.5-44000111.3P45 Q46 Y51P45-N49 WeakPolarHBondContact O-CA 3.33Å; P45-N49 PolarHBondContact O-N 3.44Å; P45-N49 VanDerWaalsContact O-N 3.12Å; P45-N49 PolarHBondContact O-OD1 3.47Å; Q46-N49 PolarHBondContact O-ND2 2.94Å; Q46-N49 VanDerWaalsContact O-ND2 3.12Å; N49-Y51 PolarHBondContact O-N 3.34Å
50A65.1Low70.3Confident39 Ų3961.2 Ų61.232%0.32232%0.315SS..PPolyproline II helixtrans-72.6123.1165.900000108.2Q227A50-Q227 VanDerWaalsContact CB-NE2 3.34Å
51Y65.5Low68.8Low94 Ų9462.6 Ų62.637%0.36933%0.325SS..PPolyproline II helixtrans-81.6150.2171.5-66.3-86.5000109.9N49 D53 Q58 C273N49-Y51 PolarHBondContact O-N 3.34Å; Y51-D53 PolarHBondContact O-N 2.77Å; Y51-Q58 HydrophobicContact CD2-CG 4.07Å; Y51-Q58 HydrophobicContact CE2-CG 3.97Å; Y51-C273 PolarHBondContact O-SG 3.38Å
52D54.3Low67.7Low171 Ų17170 Ų7091%0.91436%0.358SS*.SBendtrans-62.4-33.7173.8-70-33.3000111.4
53D59.3Low67.1Low76 Ų7669.3 Ų69.341%0.40636%0.356SS..SBendtrans-107.4108.5169.4-172.5-1.3000111Y51 A55 E56Y51-D53 PolarHBondContact O-N 2.77Å; D53-A55 PolarHBondContact O-N 2.85Å; D53-A55 VanDerWaalsContact O-N 3.15Å; D53-A55 WeakPolarHBondContact OD1-CB 3.42Å; D53-A55 PolarHBondContact OD1-N 3.3Å; D53-E56 HydrophobicContact CB-CG 4.35Å; D53-E56 PolarHBondContact O-N 3.33Å
54P60.3Low67Low18 Ų1869.2 Ų69.212%0.11736%0.356CS..THydrogen-bonded Turntrans-64.5-13.8176.5-14.927.1000114Y259 R262 T270P54-Y259 HydrophobicContact CB-CE1 3.98Å; P54-Y259 WeakPolarHBondContact CB-OH 3.34Å; P54-R262 PolarHBondContact O-NH1 3.35Å; P54-T270 HydrophobicContact CB-CG2 4.2Å; P54-T270 VanDerWaalsContact CB-O 3.3Å; P54-T270 WeakPolarHBondContact CB-O 3.22Å; P54-T270 HydrophobicContact CG-CG2 4.41Å
55A58.6Low66.7Low21 Ų2172.3 Ų72.317%0.17437%0.373CS..THydrogen-bonded Turntrans-72-29176.600000112.4D53 V255 Y259D53-A55 PolarHBondContact O-N 2.85Å; D53-A55 VanDerWaalsContact O-N 3.15Å; D53-A55 WeakPolarHBondContact OD1-CB 3.42Å; D53-A55 PolarHBondContact OD1-N 3.3Å; A55-V255 HydrophobicContact CB-CG1 4.29Å; A55-Y259 PolarHBondContact N-OH 2.82Å
56E58.4Low66.5Low117 Ų11776 Ų7655%0.54739%0.39SS..SBendtrans-63.8135172.7-65.9-169.6163.700109.8D53 Q58D53-E56 HydrophobicContact CB-CG 4.35Å; D53-E56 PolarHBondContact O-N 3.33Å; E56-Q58 PolarHBondContact O-N 2.99Å
57Q51.3Low66.5Low90 Ų9073.4 Ų73.442%0.42138%0.379SS..  trans-66.4128.2-175.4-79.1179.48.200111.3E59 T1686Q57-E59 HydrophobicContact CB-CG 4.32Å; Q57-E59 PolarHBondContact O-N 3.41Å; Q57-T1686 PolarHBondContact NE2-OG1 3.09Å
58Q54Low66.9Low52 Ų5272.9 Ų72.924%0.24338%0.377CS..  trans-70.775.6157.1-74179.6-23.600108.9Y51 E56 Y312Y51-Q58 HydrophobicContact CD2-CG 4.07Å; Y51-Q58 HydrophobicContact CE2-CG 3.97Å; E56-Q58 PolarHBondContact O-N 2.99Å; Q58-Y312 VanDerWaalsContact OE1-CZ 3.24Å
59E51.3Low67.3Low123 Ų12372.6 Ų72.658%0.57538%0.376SS*.  trans-69.3137.3163.4-72.9-150.515600108.9Q57 S61Q57-E59 HydrophobicContact CB-CG 4.32Å; Q57-E59 PolarHBondContact O-N 3.41Å; E59-S61 PolarHBondContact O-N 2.94Å
60P55.7Low68Low80 Ų8074.7 Ų74.752%0.51938%0.377SS..  trans-61.1108.7169.124.1-29.7000107.6Q62P60-Q62 PolarHBondContact O-N 3.05Å
61S59.1Low69.1Low32 Ų3273 Ų7322%0.22436%0.363CS..  trans-55.1142.4-178.272.90000109.2E59 E63 I64E59-S61 PolarHBondContact O-N 2.94Å; S61-E63 PolarHBondContact O-N 2.7Å; S61-E63 VanDerWaalsContact OG-CB 3.29Å; S61-E63 WeakPolarHBondContact OG-CB 3.41Å; S61-E63 PolarHBondContact OG-OE2 2.92Å; S61-I64 VanDerWaalsContact O-CG2 3.24Å; S61-I64 WeakPolarHBondContact O-CG2 3.44Å; S61-I64 PolarHBondContact O-N 3.36Å
62Q66.5Low70.3Confident174 Ų17468.8 Ų68.881%0.81335%0.346SS*.THydrogen-bonded Turntrans-53.8-19.6173.4-73.4-176.1-4.400111.8P60 I64 N65P60-Q62 PolarHBondContact O-N 3.05Å; Q62-I64 VanDerWaalsContact C-N 3.29Å; Q62-I64 PolarHBondContact O-N 3.38Å; Q62-N65 PolarHBondContact O-N 3.44Å
63E72.8Confident71.9Confident113 Ų11361.2 Ų61.253%0.52831%0.306SS..Hα-helixtrans-61.1-29.2174.5-45177.4143.900113.3S61 N65 N66 L67S61-E63 PolarHBondContact O-N 2.7Å; S61-E63 VanDerWaalsContact OG-CB 3.29Å; S61-E63 WeakPolarHBondContact OG-CB 3.41Å; S61-E63 PolarHBondContact OG-OE2 2.92Å; E63-N65 PolarHBondContact O-N 3.27Å; E63-N66 PolarHBondContact O-N 2.9Å; E63-N66 VanDerWaalsContact O-N 3.07Å; E63-L67 HydrophobicContact CB-CD1 3.86Å; E63-L67 HydrophobicContact CB-CG 4.41Å; E63-L67 WeakPolarHBondContact O-CB 3.41Å; E63-L67 WeakPolarHBondContact O-CG 3.39Å; E63-L67 PolarHBondContact O-N 3.04Å
64I83.8Confident73.3Confident6 Ų658.1 Ų58.13%0.03129%0.289CS..Hα-helixtrans-56.6-36.9177.9-164172.7000112.3V47 Y48 S61 Q62 I68 F69 F313V47-I64 HydrophobicContact CG1-CB 3.8Å; V47-I64 HydrophobicContact CG1-CD1 4.22Å; V47-I64 HydrophobicContact CG1-CG1 4.02Å; Y48-I64 HydrophobicContact CE2-CD1 3.73Å; Y48-I64 VanDerWaalsContact OH-CD1 3.26Å; Y48-I64 WeakPolarHBondContact OH-CD1 3.47Å; S61-I64 VanDerWaalsContact O-CG2 3.24Å; S61-I64 WeakPolarHBondContact O-CG2 3.44Å; S61-I64 PolarHBondContact O-N 3.36Å; Q62-I64 VanDerWaalsContact C-N 3.29Å; Q62-I64 PolarHBondContact O-N 3.38Å; I64-I68 HydrophobicContact CG1-CD1 4.48Å; I64-I68 PolarHBondContact O-N 3.23Å; I64-F69 HydrophobicContact CD1-CE2 3.74Å; I64-F69 HydrophobicContact CD1-CZ 3.74Å; I64-F69 HydrophobicContact CG1-CD2 4.2Å; I64-F69 HydrophobicContact CG1-CE2 3.86Å; I64-F69 HydrophobicContact CG1-CZ 4.16Å; I64-F69 HydrophobicContact CG2-CD2 4.19Å; I64-F69 HydrophobicContact CG2-CE2 3.94Å; I64-F69 PolarHBondContact O-N 3.44Å; I64-F69 VanDerWaalsContact O-N 3.13Å; I64-F313 HydrophobicContact CD1-CD2 4.04Å; I64-F313 HydrophobicContact CD1-CE2 4.31Å
65N82.9Confident74.6Confident65 Ų6557.3 Ų57.335%0.34828%0.284SS..Iπ-helixtrans-65.2-42.7179.8-72.9-57.9000110.9Q62 E63 R70Q62-N65 PolarHBondContact O-N 3.44Å; E63-N65 PolarHBondContact O-N 3.27Å; N65-R70 WeakPolarHBondContact O-CB 3.33Å; N65-R70 PolarHBondContact O-N 2.86Å
66N81.3Confident76Confident110 Ų11056.3 Ų56.359%0.58828%0.276SS*.Iπ-helixtrans-80.7-39.4-177.1-69.5-28.7000112.4E63 P71E63-N66 PolarHBondContact O-N 2.9Å; E63-N66 VanDerWaalsContact O-N 3.07Å; N66-P71 WeakPolarHBondContact O-CD 3.49Å
67L82.9Confident77.4Confident39 Ų3951 Ų5120%0.20425%0.251CS..Iπ-helixtrans-81.3-29.6-174.6-69.1173.7000113.4Y39 V47 E63Y39-L67 WeakPolarHBondContact CE1-O 3.46Å; Y39-L67 PolarHBondContact OH-O 2.97Å; V47-L67 HydrophobicContact CG2-CD1 3.97Å; E63-L67 HydrophobicContact CB-CD1 3.86Å; E63-L67 HydrophobicContact CB-CG 4.41Å; E63-L67 WeakPolarHBondContact O-CB 3.41Å; E63-L67 WeakPolarHBondContact O-CG 3.39Å; E63-L67 PolarHBondContact O-N 3.04Å
68I88.1Confident78.7Confident1 Ų147.6 Ų47.61%0.00524%0.241CC..Iπ-helixtrans-130.4-59.5-170.7-52.4178.9000112.9L40 H43 V44 V47 I64 R70 P71 I72 F313L40-I68 HydrophobicContact CD2-CG2 3.75Å; H43-I68 HydrophobicContact CB-CD1 4.37Å; H43-I68 HydrophobicContact CB-CG1 4.34Å; V44-I68 HydrophobicContact CG2-CD1 3.9Å; V47-I68 HydrophobicContact CG2-CD1 4.17Å; I64-I68 HydrophobicContact CG1-CD1 4.48Å; I64-I68 PolarHBondContact O-N 3.23Å; I68-R70 PolarHBondContact O-N 3.39Å; I68-P71 VanDerWaalsContact O-CD 3.3Å; I68-P71 WeakPolarHBondContact O-CD 3.49Å; I68-I72 HydrophobicContact CG2-CD1 3.83Å; I68-I72 WeakPolarHBondContact O-CG1 3.48Å; I68-I72 PolarHBondContact O-N 2.91Å; I68-F313 HydrophobicContact CB-CE2 4.26Å; I68-F313 HydrophobicContact CD1-CD2 4.18Å; I68-F313 HydrophobicContact CD1-CE2 3.9Å; I68-F313 HydrophobicContact CD1-CZ 4.45Å; I68-F313 HydrophobicContact CG2-CE2 3.57Å; I68-F313 HydrophobicContact CG2-CZ 3.46Å; I68-F313 VanDerWaalsContact CG2-CZ 3.46Å
69F90.1Very high79.7Confident13 Ų1346.4 Ų46.46%0.05724%0.24CC..Iπ-helixtrans-65.3-44.8-171.9-66.4-39000113.3I64 I72 V73 F313 L317 W320I64-F69 HydrophobicContact CD1-CE2 3.74Å; I64-F69 HydrophobicContact CD1-CZ 3.74Å; I64-F69 HydrophobicContact CG1-CD2 4.2Å; I64-F69 HydrophobicContact CG1-CE2 3.86Å; I64-F69 HydrophobicContact CG1-CZ 4.16Å; I64-F69 HydrophobicContact CG2-CD2 4.19Å; I64-F69 HydrophobicContact CG2-CE2 3.94Å; I64-F69 PolarHBondContact O-N 3.44Å; I64-F69 VanDerWaalsContact O-N 3.13Å; F69-I72 WeakPolarHBondContact O-CB 3.39Å; F69-I72 PolarHBondContact O-N 3.48Å; F69-V73 WeakPolarHBondContact O-CG2 3.5Å; F69-V73 PolarHBondContact O-N 3.28Å; F69-F313 AromaticContact CE1-CE2 3.97Å; F69-F313 HydrophobicContact CE1-CE2 3.97Å; F69-F313 HydrophobicContact CZ-CE2 4.46Å; F69-L317 HydrophobicContact CD1-CD1 4.35Å; F69-L317 HydrophobicContact CE1-CD1 3.92Å; F69-W320 HydrophobicContact CB-CD2 4.35Å; F69-W320 HydrophobicContact CB-CZ2 3.89Å; F69-W320 HydrophobicContact CD1-CB 4.35Å; F69-W320 AromaticContact CD1-CD2 3.57Å; F69-W320 HydrophobicContact CD1-CD2 3.57Å; F69-W320 AromaticContact CD1-CE2 3.9Å; F69-W320 AromaticContact CD1-CE3 3.84Å; F69-W320 HydrophobicContact CD1-CE3 3.84Å; F69-W320 AromaticContact CD1-CG 3.8Å; F69-W320 HydrophobicContact CD1-CG 3.8Å; F69-W320 HydrophobicContact CD1-CZ2 4.42Å; F69-W320 HydrophobicContact CD1-CZ3 4.33Å; F69-W320 AromaticContact CD2-CD1 3.71Å; F69-W320 HydrophobicContact CD2-CD2 4.46Å; F69-W320 HydrophobicContact CD2-CG 4.05Å; F69-W320 AromaticContact CD2-NE1 3.95Å; F69-W320 HydrophobicContact CE1-CB 3.79Å; F69-W320 AromaticContact CE1-CD2 3.9Å; F69-W320 HydrophobicContact CE1-CD2 3.9Å; F69-W320 HydrophobicContact CE1-CE3 4.13Å; F69-W320 AromaticContact CE1-CG 3.75Å; F69-W320 HydrophobicContact CE1-CG 3.75Å; F69-W320 HydrophobicContact CE2-CB 4.1Å; F69-W320 AromaticContact CE2-CD1 3.9Å; F69-W320 AromaticContact CE2-CG 3.98Å; F69-W320 HydrophobicContact CE2-CG 3.98Å; F69-W320 AromaticContact CG-CD1 3.87Å; F69-W320 AromaticContact CG-CD2 3.9Å; F69-W320 HydrophobicContact CG-CD2 3.9Å; F69-W320 AromaticContact CG-CE2 3.79Å; F69-W320 AromaticContact CG-CG 3.97Å; F69-W320 HydrophobicContact CG-CG 3.97Å; F69-W320 HydrophobicContact CG-CZ2 4.34Å; F69-W320 AromaticContact CG-NE1 3.77Å; F69-W320 HydrophobicContact CZ-CB 3.64Å; F69-W320 HydrophobicContact CZ-CD2 4.46Å; F69-W320 AromaticContact CZ-CG 3.84Å; F69-W320 HydrophobicContact CZ-CG 3.84Å
70R87.3Confident80.8Confident135 Ų13542.5 Ų42.551%0.50923%0.229SC..Hα-helixtrans-60.7-48.5175.5173-178.4-173.1146.610.7112N65 I68 I72 V73 E74N65-R70 WeakPolarHBondContact O-CB 3.33Å; N65-R70 PolarHBondContact O-N 2.86Å; I68-R70 PolarHBondContact O-N 3.39Å; R70-I72 VanDerWaalsContact C-N 3.26Å; R70-I72 PolarHBondContact O-N 2.83Å; R70-V73 WeakPolarHBondContact O-CB 3.15Å; R70-V73 PolarHBondContact O-N 3.2Å; R70-E74 HydrophobicContact CG-CG 4.47Å; R70-E74 WeakPolarHBondContact CG-OE1 3.35Å; R70-E74 IonicContact NE-OE1 2.65Å; R70-E74 PolarHBondContact NE-OE1 3.36Å; R70-E74 WeakPolarHBondContact O-CG 3.19Å; R70-E74 PolarHBondContact O-N 3.29Å
71P87.2Confident81.7Confident4 Ų446.7 Ų46.73%0.02624%0.239CC..Hα-helixtrans-57.6-32.4173.4-2833.2000115.2L10 N66 I68 E74 L75L10-P71 HydrophobicContact CB-CB 3.38Å; L10-P71 HydrophobicContact CD2-CB 4.33Å; N66-P71 WeakPolarHBondContact O-CD 3.49Å; I68-P71 VanDerWaalsContact O-CD 3.3Å; I68-P71 WeakPolarHBondContact O-CD 3.49Å; P71-E74 PolarHBondContact O-N 2.96Å; P71-L75 PolarHBondContact O-N 3.36Å
72I89.9Confident82.8Confident4 Ų445.9 Ų45.92%0.02123%0.232CC..Hα-helixtrans-65.8-43172.1-69168.2000110.9L10 I68 F69 R70 E74 L75 Y76 L200 L317 W320L10-I72 HydrophobicContact CD2-CG1 4.19Å; I68-I72 HydrophobicContact CG2-CD1 3.83Å; I68-I72 WeakPolarHBondContact O-CG1 3.48Å; I68-I72 PolarHBondContact O-N 2.91Å; F69-I72 WeakPolarHBondContact O-CB 3.39Å; F69-I72 PolarHBondContact O-N 3.48Å; R70-I72 VanDerWaalsContact C-N 3.26Å; R70-I72 PolarHBondContact O-N 2.83Å; I72-E74 VanDerWaalsContact C-N 3.33Å; I72-E74 PolarHBondContact O-N 3Å; I72-L75 VanDerWaalsContact O-CB 3.31Å; I72-L75 WeakPolarHBondContact O-CB 3.33Å; I72-L75 PolarHBondContact O-N 2.89Å; I72-L75 VanDerWaalsContact O-N 3.17Å; I72-Y76 HydrophobicContact CG2-CD2 4.02Å; I72-Y76 HydrophobicContact CG2-CE2 3.88Å; I72-Y76 WeakPolarHBondContact O-CD2 3.3Å; I72-Y76 PolarHBondContact O-N 2.68Å; I72-L200 HydrophobicContact CD1-CD2 4.16Å; I72-L200 HydrophobicContact CG2-CD1 3.84Å; I72-L317 HydrophobicContact CD1-CD1 4.23Å; I72-W320 HydrophobicContact CB-CH2 4.43Å; I72-W320 HydrophobicContact CG2-CH2 4.04Å; I72-W320 HydrophobicContact CG2-CZ3 4.09Å
73V89.4Confident83.6Confident13 Ų1341.3 Ų41.38%0.07921%0.213CC..Hα-helixtrans-62.1-42.11751740000111.3F69 R70 L75 Y76 C77 D83 F84 W320 L325F69-V73 WeakPolarHBondContact O-CG2 3.5Å; F69-V73 PolarHBondContact O-N 3.28Å; R70-V73 WeakPolarHBondContact O-CB 3.15Å; R70-V73 PolarHBondContact O-N 3.2Å; V73-L75 PolarHBondContact O-N 3.25Å; V73-Y76 WeakPolarHBondContact O-CB 3.35Å; V73-Y76 PolarHBondContact O-N 3.15Å; V73-Y76 VanDerWaalsContact O-N 3.15Å; V73-C77 PolarHBondContact O-N 3.47Å; V73-C77 PolarHBondContact O-SG 3.03Å; V73-D83 VanDerWaalsContact CG1-OD1 3.29Å; V73-D83 WeakPolarHBondContact CG1-OD1 3.5Å; V73-F84 HydrophobicContact CB-CE2 4.4Å; V73-F84 HydrophobicContact CG1-CD2 3.78Å; V73-F84 HydrophobicContact CG1-CE2 3.68Å; V73-F84 HydrophobicContact CG1-CG 4.48Å; V73-F84 HydrophobicContact CG1-CZ 4.31Å; V73-F84 HydrophobicContact CG2-CE2 4.11Å; V73-W320 HydrophobicContact CG2-CH2 3.81Å; V73-W320 HydrophobicContact CG2-CZ2 3.68Å; V73-L325 HydrophobicContact CG2-CD1 4.5Å
74E88Confident84.3Confident10 Ų1036 Ų365%0.04719%0.188CC..Hα-helixtrans-61.4-34.9175-66.8175.7-173.700111.7V11 R70 P71 I72 C77 G78 A79 K81V11-E74 HydrophobicContact CG2-CB 3.64Å; R70-E74 HydrophobicContact CG-CG 4.47Å; R70-E74 WeakPolarHBondContact CG-OE1 3.35Å; R70-E74 IonicContact NE-OE1 2.65Å; R70-E74 PolarHBondContact NE-OE1 3.36Å; R70-E74 WeakPolarHBondContact O-CG 3.19Å; R70-E74 PolarHBondContact O-N 3.29Å; P71-E74 PolarHBondContact O-N 2.96Å; I72-E74 VanDerWaalsContact C-N 3.33Å; I72-E74 PolarHBondContact O-N 3Å; E74-C77 CarbonylContact O-C 3.58Å; E74-C77 PolarHBondContact O-N 3.21Å; E74-G78 PolarHBondContact O-N 3Å; E74-A79 PolarHBondContact O-N 3.48Å; E74-K81 WeakPolarHBondContact OE1-CA 3.12Å; E74-K81 PolarHBondContact OE1-N 3.02Å; E74-K81 PolarHBondContact OE2-N 3.06Å; E74-K81 VanDerWaalsContact OE2-N 3.11Å
75L87.3Confident84.3Confident2 Ų238.8 Ų38.81%0.0121%0.206CC..Hα-helixtrans-65.8-43173.5-171.166.2000111.8L10 I14 V19 I36 P71 I72 V73 C77 G78 I196L10-L75 HydrophobicContact CD2-CB 4.36Å; L10-L75 HydrophobicContact CD2-CD2 4.04Å; I14-L75 HydrophobicContact CD1-CD1 3.74Å; I14-L75 HydrophobicContact CD1-CD2 4.25Å; V19-L75 HydrophobicContact CG1-CD1 4.2Å; V19-L75 HydrophobicContact CG2-CD1 3.8Å; I36-L75 HydrophobicContact CD1-CD2 3.99Å; I36-L75 HydrophobicContact CG1-CD2 4.22Å; P71-L75 PolarHBondContact O-N 3.36Å; I72-L75 VanDerWaalsContact O-CB 3.31Å; I72-L75 WeakPolarHBondContact O-CB 3.33Å; I72-L75 PolarHBondContact O-N 2.89Å; I72-L75 VanDerWaalsContact O-N 3.17Å; V73-L75 PolarHBondContact O-N 3.25Å; L75-C77 VanDerWaalsContact C-N 3.32Å; L75-C77 PolarHBondContact O-N 2.7Å; L75-G78 PolarHBondContact O-N 3.16Å; L75-I196 HydrophobicContact CB-CD1 4.37Å; L75-I196 HydrophobicContact CD2-CD1 4.21Å; L75-I196 HydrophobicContact CD2-CG1 4Å; L75-I196 HydrophobicContact CD2-CG2 4.11Å; L75-I196 HydrophobicContact CG-CD1 3.7Å; L75-I196 HydrophobicContact CG-CG1 4.02Å; L75-I196 WeakPolarHBondContact O-CD1 3.26Å
76Y89Confident84.3Confident0 Ų040.4 Ų40.40%021%0.212CC..Hα-helixtrans-60.6-41.6172.8-85.3-75.6000112I72 V73 G78 F84 W193 I196 T197 L200 L325 L332I72-Y76 HydrophobicContact CG2-CD2 4.02Å; I72-Y76 HydrophobicContact CG2-CE2 3.88Å; I72-Y76 WeakPolarHBondContact O-CD2 3.3Å; I72-Y76 PolarHBondContact O-N 2.68Å; V73-Y76 WeakPolarHBondContact O-CB 3.35Å; V73-Y76 PolarHBondContact O-N 3.15Å; V73-Y76 VanDerWaalsContact O-N 3.15Å; Y76-G78 VanDerWaalsContact C-N 3.3Å; Y76-G78 PolarHBondContact O-N 3.5Å; Y76-F84 HydrophobicContact CD2-CZ 4.5Å; Y76-F84 HydrophobicContact CG-CZ 4.21Å; Y76-W193 HydrophobicContact CD1-CB 4.32Å; Y76-W193 AromaticContact CD1-CD1 3.62Å; Y76-W193 HydrophobicContact CD1-CG 4.01Å; Y76-W193 HydrophobicContact CE1-CB 4.36Å; Y76-W193 HydrophobicContact CE1-CG 4.49Å; Y76-W193 PolarHBondContact O-NE1 3.01Å; Y76-I196 HydrophobicContact CD1-CB 4.44Å; Y76-I196 HydrophobicContact CD1-CD1 4.19Å; Y76-I196 HydrophobicContact CD1-CG2 4.36Å; Y76-I196 HydrophobicContact CD2-CG2 4.09Å; Y76-I196 HydrophobicContact CE1-CB 4.05Å; Y76-I196 HydrophobicContact CE1-CG2 3.95Å; Y76-I196 HydrophobicContact CE2-CG2 3.65Å; Y76-I196 HydrophobicContact CG-CD1 4.32Å; Y76-I196 HydrophobicContact CG-CG2 4.42Å; Y76-T197 WeakPolarHBondContact CE1-OG1 3.33Å; Y76-T197 WeakPolarHBondContact OH-CA 3.34Å; Y76-T197 PolarHBondContact OH-OG1 2.88Å; Y76-L200 HydrophobicContact CE2-CD1 3.94Å; Y76-L325 HydrophobicContact CE2-CD2 4.15Å; Y76-L332 HydrophobicContact CD1-CD1 4.26Å; Y76-L332 HydrophobicContact CD1-CD2 3.73Å; Y76-L332 HydrophobicContact CE1-CD1 4.18Å; Y76-L332 HydrophobicContact CE1-CD2 3.59Å
77C86.5Confident84.5Confident5 Ų535.2 Ų35.23%0.03418%0.184CC..Hα-helixtrans-75.8-17.8178.6-60.60000112.9V73 E74 L75 A79 L82 F87V73-C77 PolarHBondContact O-N 3.47Å; V73-C77 PolarHBondContact O-SG 3.03Å; E74-C77 CarbonylContact O-C 3.58Å; E74-C77 PolarHBondContact O-N 3.21Å; L75-C77 VanDerWaalsContact C-N 3.32Å; L75-C77 PolarHBondContact O-N 2.7Å; C77-A79 VanDerWaalsContact C-N 3.33Å; C77-A79 PolarHBondContact O-N 3.02Å; C77-L82 HydrophobicContact CB-CB 4.02Å; C77-L82 HydrophobicContact CB-CD2 3.87Å; C77-L82 HydrophobicContact CB-CG 3.96Å; C77-F87 HydrophobicContact CB-CB 4.29Å; C77-F87 HydrophobicContact CB-CD2 4.16Å; C77-F87 HydrophobicContact CB-CG 4.44Å
78G79.9Confident84.6Confident19 Ų1934.1 Ų34.120%0.19618%0.177CC..THydrogen-bonded Turntrans74.614.3178.700000115.7E74 L75 Y76 R192E74-G78 PolarHBondContact O-N 3Å; L75-G78 PolarHBondContact O-N 3.16Å; Y76-G78 VanDerWaalsContact C-N 3.3Å; Y76-G78 PolarHBondContact O-N 3.5Å; G78-R192 VanDerWaalsContact CA-NH1 3.33Å
79A75.3Confident84.5Confident27 Ų2741.1 Ų41.122%0.22321%0.208CC..SBendtrans-147.4136.8179.600000110.5E74 C77 L82E74-A79 PolarHBondContact O-N 3.48Å; C77-A79 VanDerWaalsContact C-N 3.33Å; C77-A79 PolarHBondContact O-N 3.02Å; A79-L82 HydrophobicContact CB-CB 4Å; A79-L82 HydrophobicContact CB-CD2 3.92Å; A79-L82 WeakPolarHBondContact O-CB 3.24Å; A79-L82 PolarHBondContact O-N 3.26Å
80A72.8Confident84.1Confident41 Ų4148.2 Ų48.234%0.33923%0.234SC..THydrogen-bonded Turntrans-60.4142.6175.900000110.5V11 L82V11-A80 HydrophobicContact CB-CB 4.18Å; V11-A80 HydrophobicContact CG1-CB 4.12Å; A80-L82 PolarHBondContact O-N 3.48Å
81K76.2Confident83.8Confident168 Ų16845.2 Ų45.273%0.7323%0.226SC*.THydrogen-bonded Turntrans62.113.9-177.2-52.1179-178.9177.20115.7E74E74-K81 WeakPolarHBondContact OE1-CA 3.12Å; E74-K81 PolarHBondContact OE1-N 3.02Å; E74-K81 PolarHBondContact OE2-N 3.06Å; E74-K81 VanDerWaalsContact OE2-N 3.11Å
82L80.6Confident83.5Confident15 Ų1552 Ų528%0.07926%0.262CS..  trans-99.5128.9176.7-164.766.4000110.7C77 A79 A80 E86 F87C77-L82 HydrophobicContact CB-CB 4.02Å; C77-L82 HydrophobicContact CB-CD2 3.87Å; C77-L82 HydrophobicContact CB-CG 3.96Å; A79-L82 HydrophobicContact CB-CB 4Å; A79-L82 HydrophobicContact CB-CD2 3.92Å; A79-L82 WeakPolarHBondContact O-CB 3.24Å; A79-L82 PolarHBondContact O-N 3.26Å; A80-L82 PolarHBondContact O-N 3.48Å; L82-E86 HydrophobicContact CD1-CB 3.77Å; L82-E86 HydrophobicContact CD1-CG 3.51Å; L82-F87 HydrophobicContact CD2-CB 4.07Å; L82-F87 HydrophobicContact CD2-CD2 3.99Å; L82-F87 HydrophobicContact CG-CB 4.18Å
83D84.9Confident83Confident78 Ų7852.1 Ų52.142%0.41726%0.263SS..  trans-109.7164.3174.1-170.17.3000110.1V73 E86 F87V73-D83 VanDerWaalsContact CG1-OD1 3.29Å; V73-D83 WeakPolarHBondContact CG1-OD1 3.5Å; D83-E86 PolarHBondContact O-N 2.99Å; D83-E86 VanDerWaalsContact O-N 3.1Å; D83-F87 WeakPolarHBondContact O-CB 3.3Å; D83-F87 PolarHBondContact O-N 3.36Å
84F86.6Confident82.1Confident2 Ų254.4 Ų54.41%0.00928%0.278CS..Hα-helixtrans-54-46.5-176.5-68.4-68.3000114V73 Y76 E86 F87 F88 L325 D328 C329 L332V73-F84 HydrophobicContact CB-CE2 4.4Å; V73-F84 HydrophobicContact CG1-CD2 3.78Å; V73-F84 HydrophobicContact CG1-CE2 3.68Å; V73-F84 HydrophobicContact CG1-CG 4.48Å; V73-F84 HydrophobicContact CG1-CZ 4.31Å; V73-F84 HydrophobicContact CG2-CE2 4.11Å; Y76-F84 HydrophobicContact CD2-CZ 4.5Å; Y76-F84 HydrophobicContact CG-CZ 4.21Å; F84-E86 VanDerWaalsContact C-N 3.27Å; F84-E86 PolarHBondContact O-N 3.49Å; F84-F87 WeakPolarHBondContact O-CB 2.92Å; F84-F87 PolarHBondContact O-N 3.12Å; F84-F88 HydrophobicContact CB-CD2 4.37Å; F84-F88 HydrophobicContact CB-CE2 3.88Å; F84-F88 HydrophobicContact CB-CZ 4.44Å; F84-F88 HydrophobicContact CD1-CZ 4.38Å; F84-F88 WeakPolarHBondContact O-CD2 3.47Å; F84-F88 VanDerWaalsContact O-CG 3.3Å; F84-F88 WeakPolarHBondContact O-CG 3.48Å; F84-F88 PolarHBondContact O-N 2.89Å; F84-L325 HydrophobicContact CE2-CD1 3.58Å; F84-L325 HydrophobicContact CZ-CD1 3.89Å; F84-D328 HydrophobicContact CD2-CB 4.48Å; F84-C329 HydrophobicContact CB-CB 4.46Å; F84-C329 HydrophobicContact CD1-CB 3.7Å; F84-C329 VanDerWaalsContact CD1-SG 3.6Å; F84-C329 HydrophobicContact CD2-CB 3.74Å; F84-C329 HydrophobicContact CE1-CB 3.75Å; F84-C329 HydrophobicContact CE2-CB 3.78Å; F84-C329 HydrophobicContact CG-CB 3.71Å; F84-C329 HydrophobicContact CZ-CB 3.79Å; F84-L332 HydrophobicContact CE1-CD1 4.18Å; F84-L332 HydrophobicContact CZ-CD1 3.71Å
85P83.7Confident80.8Confident63 Ų6360.1 Ų60.141%0.40930%0.304SS..Hα-helixtrans-60.2-38.2178.6-24.235.6000112.6K89P85-K89 VanDerWaalsContact O-CB 3.3Å; P85-K89 WeakPolarHBondContact O-CB 3.49Å; P85-K89 PolarHBondContact O-N 3.34Å
86E83.6Confident79.5Confident99 Ų9962.5 Ų62.546%0.46332%0.317SS..Hα-helixtrans-75.7-35.9178.9-168.364-161.200111.3L82 D83 F84 K89 R90L82-E86 HydrophobicContact CD1-CB 3.77Å; L82-E86 HydrophobicContact CD1-CG 3.51Å; D83-E86 PolarHBondContact O-N 2.99Å; D83-E86 VanDerWaalsContact O-N 3.1Å; F84-E86 VanDerWaalsContact C-N 3.27Å; F84-E86 PolarHBondContact O-N 3.49Å; E86-K89 PolarHBondContact O-N 3.07Å; E86-R90 WeakPolarHBondContact O-CB 3.47Å; E86-R90 PolarHBondContact O-N 3.32Å
87F85.3Confident77.8Confident2 Ų268.8 Ų68.81%0.00935%0.346CS..Hα-helixtrans-59.6-49.1171.2174.1-94.5000111.3C77 L82 D83 F84 R90 H91 I93 L185 P186 T189 W193C77-F87 HydrophobicContact CB-CB 4.29Å; C77-F87 HydrophobicContact CB-CD2 4.16Å; C77-F87 HydrophobicContact CB-CG 4.44Å; L82-F87 HydrophobicContact CD2-CB 4.07Å; L82-F87 HydrophobicContact CD2-CD2 3.99Å; L82-F87 HydrophobicContact CG-CB 4.18Å; D83-F87 WeakPolarHBondContact O-CB 3.3Å; D83-F87 PolarHBondContact O-N 3.36Å; F84-F87 WeakPolarHBondContact O-CB 2.92Å; F84-F87 PolarHBondContact O-N 3.12Å; F87-R90 PolarHBondContact O-N 3.42Å; F87-H91 AromaticContact CD2-CD2 3.67Å; F87-H91 AromaticContact CE2-CD2 3.5Å; F87-H91 VanDerWaalsContact CE2-CD2 3.5Å; F87-H91 WeakPolarHBondContact CE2-CD2 3.4Å; F87-H91 AromaticContact CE2-NE2 3.7Å; F87-H91 AromaticContact CZ-CD2 3.9Å; F87-H91 PolarHBondContact O-CD2 3.29Å; F87-H91 VanDerWaalsContact O-CD2 3.29Å; F87-H91 PolarHBondContact O-N 3.49Å; F87-H91 VanDerWaalsContact O-N 3.09Å; F87-I93 HydrophobicContact CE1-CD1 4.03Å; F87-L185 HydrophobicContact CE1-CD2 4.14Å; F87-P186 HydrophobicContact CZ-CG 4.22Å; F87-T189 HydrophobicContact CZ-CG2 4.02Å; F87-W193 HydrophobicContact CE1-CZ2 4.19Å
88F85.7Confident76.2Confident15 Ų1572.4 Ų72.47%0.06638%0.377CS..Hα-helixtrans-63.7-43.8178.2-64.1-42.6000112F84 R90 H91 N92 I93 L331F84-F88 HydrophobicContact CB-CD2 4.37Å; F84-F88 HydrophobicContact CB-CE2 3.88Å; F84-F88 HydrophobicContact CB-CZ 4.44Å; F84-F88 HydrophobicContact CD1-CZ 4.38Å; F84-F88 WeakPolarHBondContact O-CD2 3.47Å; F84-F88 VanDerWaalsContact O-CG 3.3Å; F84-F88 WeakPolarHBondContact O-CG 3.48Å; F84-F88 PolarHBondContact O-N 2.89Å; F88-R90 PolarHBondContact O-N 2.71Å; F88-H91 CarbonylContact O-C 3.57Å; F88-H91 PolarHBondContact O-N 2.78Å; F88-N92 PolarHBondContact O-N 3.5Å; F88-I93 HydrophobicContact CB-CB 4.26Å; F88-I93 HydrophobicContact CD1-CB 3.93Å; F88-I93 HydrophobicContact CD1-CD1 4.01Å; F88-I93 HydrophobicContact CD1-CG2 3.93Å; F88-I93 HydrophobicContact CE1-CG2 4.49Å; F88-I93 HydrophobicContact CG-CB 4.5Å; F88-I93 PolarHBondContact O-N 3.25Å; F88-L331 HydrophobicContact CE1-CD1 3.61Å; F88-L331 HydrophobicContact CZ-CD1 3.85Å
89K84.2Confident75.4Confident148 Ų14874.5 Ų74.564%0.64339%0.388SS*.Hα-helixtrans-60.5-43.5175.1-174.9-177.8175.9-169.30112P85 E86 H91 N92P85-K89 VanDerWaalsContact O-CB 3.3Å; P85-K89 WeakPolarHBondContact O-CB 3.49Å; P85-K89 PolarHBondContact O-N 3.34Å; E86-K89 PolarHBondContact O-N 3.07Å; K89-H91 VanDerWaalsContact C-N 3.31Å; K89-H91 PolarHBondContact O-N 3Å; K89-N92 PolarHBondContact O-N 3.45Å
90R82.3Confident75.2Confident162 Ų16276.4 Ų76.461%0.61139%0.392SS*.Hα-helixtrans-64.2-34179.9-178.1175.7-179.5171.5-0.6112.9E86 F87 F88E86-R90 WeakPolarHBondContact O-CB 3.47Å; E86-R90 PolarHBondContact O-N 3.32Å; F87-R90 PolarHBondContact O-N 3.42Å; F88-R90 PolarHBondContact O-N 2.71Å
91H82.1Confident75.3Confident73 Ų7378 Ų7834%0.33839%0.389SS..THydrogen-bonded Turntrans-100.89.4-178.7-68.2-69.5000113.9F87 F88 K89 I93 P186F87-H91 AromaticContact CD2-CD2 3.67Å; F87-H91 AromaticContact CE2-CD2 3.5Å; F87-H91 VanDerWaalsContact CE2-CD2 3.5Å; F87-H91 WeakPolarHBondContact CE2-CD2 3.4Å; F87-H91 AromaticContact CE2-NE2 3.7Å; F87-H91 AromaticContact CZ-CD2 3.9Å; F87-H91 PolarHBondContact O-CD2 3.29Å; F87-H91 VanDerWaalsContact O-CD2 3.29Å; F87-H91 PolarHBondContact O-N 3.49Å; F87-H91 VanDerWaalsContact O-N 3.09Å; F88-H91 CarbonylContact O-C 3.57Å; F88-H91 PolarHBondContact O-N 2.78Å; K89-H91 VanDerWaalsContact C-N 3.31Å; K89-H91 PolarHBondContact O-N 3Å; H91-I93 HydrophobicContact CB-CD1 3.86Å; H91-I93 HydrophobicContact CB-CG1 3.96Å; H91-I93 PolarHBondContact O-N 3.34Å; H91-P186 HydrophobicContact CB-CG 4.38Å; H91-P186 WeakPolarHBondContact ND1-CG 3.44Å
92N80.6Confident75.6Confident145 Ų14571.3 Ų71.378%0.77536%0.364SS*.THydrogen-bonded Turntrans5434.2-177.2-62.5-40.2000113.8F88 K89F88-N92 PolarHBondContact O-N 3.5Å; K89-N92 PolarHBondContact O-N 3.45Å
93I78.9Confident75.2Confident8 Ų872.5 Ų72.54%0.04137%0.37CS..PPolyproline II helixtrans-86.6121.9177.3-58169.1000107.5F87 F88 H91 Q95 V181 L184 L185F87-I93 HydrophobicContact CE1-CD1 4.03Å; F88-I93 HydrophobicContact CB-CB 4.26Å; F88-I93 HydrophobicContact CD1-CB 3.93Å; F88-I93 HydrophobicContact CD1-CD1 4.01Å; F88-I93 HydrophobicContact CD1-CG2 3.93Å; F88-I93 HydrophobicContact CE1-CG2 4.49Å; F88-I93 HydrophobicContact CG-CB 4.5Å; F88-I93 PolarHBondContact O-N 3.25Å; H91-I93 HydrophobicContact CB-CD1 3.86Å; H91-I93 HydrophobicContact CB-CG1 3.96Å; H91-I93 PolarHBondContact O-N 3.34Å; I93-Q95 PolarHBondContact O-N 2.94Å; I93-V181 HydrophobicContact CG2-CG1 3.55Å; I93-L184 HydrophobicContact CG1-CB 4.33Å; I93-L185 HydrophobicContact CD1-CD2 3.72Å
94P70.5Confident74.9Confident61 Ų6172.3 Ų72.340%0.39637%0.367SS..PPolyproline II helixtrans-63.3133.7176.524.8-31000110L96 L184P94-L96 PolarHBondContact O-N 3.21Å; P94-L184 HydrophobicContact CG-CD1 4.27Å
95Q61.6Low74.2Confident129 Ų12974.8 Ų74.860%0.60338%0.382SS*.PPolyproline II helixtrans-64128171.2-68.8-174.3-8.300108.6I93 E97I93-Q95 PolarHBondContact O-N 2.94Å; Q95-E97 PolarHBondContact O-N 3.45Å; Q95-E97 VanDerWaalsContact O-N 3.09Å
96L59.9Low73.6Confident53 Ų5372 Ų7228%0.27736%0.363SS..  trans-64.2109.6169.2-83147.1000107.6P94 V181 L331P94-L96 PolarHBondContact O-N 3.21Å; L96-V181 HydrophobicContact CD1-CG1 4.41Å; L96-V181 HydrophobicContact CD2-CG2 4.3Å; L96-V181 HydrophobicContact CG-CG2 4.26Å; L96-L331 HydrophobicContact CD1-CD2 3.35Å; L96-L331 HydrophobicContact CD1-CG 3.71Å
97E52.3Low72.7Confident132 Ų13270.1 Ų70.162%0.61737%0.365SS*.  trans-62.3158.8169-71.2-168.6167.300110.7Q95 S99 L175Q95-E97 PolarHBondContact O-N 3.45Å; Q95-E97 VanDerWaalsContact O-N 3.09Å; E97-S99 PolarHBondContact O-N 2.99Å; E97-L175 HydrophobicContact CB-CD2 4.04Å
98A53.7Low71.6Confident81 Ų8176.3 Ų76.367%0.66940%0.398SS*.  trans-44.4130.4-173.300000113.3
99S61.8Low70.5Confident62 Ų6277.9 Ų77.943%0.43442%0.418SS..  trans-43.4139.8170.4153.90000111.8E97 R101E97-S99 PolarHBondContact O-N 2.99Å; S99-R101 PolarHBondContact O-N 2.99Å; S99-R101 WeakPolarHBondContact OG-CA 3.47Å; S99-R101 WeakPolarHBondContact OG-CB 3.35Å; S99-R101 PolarHBondContact OG-N 3.02Å; S99-R101 PolarHBondContact OG-O 3.3Å
100H72.6Confident69.9Low67 Ų6773.3 Ų73.331%0.3140%0.399SS..SBendtrans-63.9-2.6170-56.5-52.9000113.6G155 P171H100-G155 VanDerWaalsContact O-CA 3.26Å; H100-G155 WeakPolarHBondContact O-CA 3.21Å; H100-P171 WeakPolarHBondContact ND1-CA 3.17Å
101R74.7Confident69.7Low74 Ų7466.6 Ų66.628%0.27938%0.379SS..SBendtrans-110.1134.2170.8-62.3177.3176.2-134.8-10.5110.4S99 N103 C154 D156S99-R101 PolarHBondContact O-N 2.99Å; S99-R101 WeakPolarHBondContact OG-CA 3.47Å; S99-R101 WeakPolarHBondContact OG-CB 3.35Å; S99-R101 PolarHBondContact OG-N 3.02Å; S99-R101 PolarHBondContact OG-O 3.3Å; R101-N103 WeakPolarHBondContact CB-ND2 3.4Å; R101-C154 CarbonylContact C-O 3.58Å; R101-C154 VanDerWaalsContact CA-O 3.25Å; R101-C154 WeakPolarHBondContact CA-O 3.46Å; R101-D156 IonicContact CZ-OD1 3.22Å; R101-D156 IonicContact CZ-OD2 3.52Å; R101-D156 IonicContact NH1-OD1 3.03Å; R101-D156 IonicContact NH1-OD2 2.64Å; R101-D156 PolarHBondContact NH1-OD2 2.89Å; R101-D156 VanDerWaalsContact NH2-CG 3.3Å; R101-D156 IonicContact NH2-OD1 2.69Å; R101-D156 PolarHBondContact NH2-OD1 3.38Å; R101-D156 IonicContact NH2-OD2 2.93Å; R101-D156 PolarHBondContact NH2-OD2 2.92Å
102C82.1Confident69.8Low29 Ų2963.4 Ų63.420%0.19636%0.364CS..  trans-64.3-55.4177.9179.60000111.8H104 C130 C152 C154 H169C102-H104 PolarHBondContact O-N 3.36Å; C102-H104 VanDerWaalsContact O-N 3.1Å; C102-H104 VanDerWaalsContact SG-CB 3.51Å; C102-C130 VanDerWaalsContact CB-SG 3.52Å; C102-C130 PolarHBondContact SG-SG 3.35Å; C102-C152 HydrophobicContact CB-CB 4.06Å; C102-C154 HydrophobicContact CB-CB 3.72Å; C102-C154 PolarHBondContact N-O 2.97Å; C102-H169 WeakPolarHBondContact CA-NE2 2.86Å; C102-H169 WeakPolarHBondContact CB-CE1 3.44Å
103N72.6Confident70.2Confident40 Ų4057.7 Ų57.721%0.21433%0.332CS..  trans49.432.9-176.4-54.2-47.4000113.5R101 V105 Y151 C152R101-N103 WeakPolarHBondContact CB-ND2 3.4Å; N103-V105 PolarHBondContact O-N 3.35Å; N103-Y151 HydrophobicContact CB-CD1 4.21Å; N103-Y151 WeakPolarHBondContact O-CD1 3.37Å; N103-C152 PolarHBondContact N-O 2.79Å
104H78.3Confident70.7Confident73 Ų7357.7 Ų57.734%0.33833%0.332SS..PPolyproline II helixtrans-64.5120.9171.9174.875.2000109.2C102 F106 E110 C127 Y151 C152C102-H104 PolarHBondContact O-N 3.36Å; C102-H104 VanDerWaalsContact O-N 3.1Å; C102-H104 VanDerWaalsContact SG-CB 3.51Å; H104-F106 AromaticContact CD2-CD1 3.9Å; H104-E110 IonicContact CD2-OE1 2.76Å; H104-E110 IonicContact CD2-OE2 3.69Å; H104-E110 IonicContact CE1-OE1 3.89Å; H104-E110 IonicContact NE2-OE1 2.99Å; H104-E110 PolarHBondContact NE2-OE1 2.88Å; H104-E110 IonicContact NE2-OE2 2.94Å; H104-E110 PolarHBondContact NE2-OE2 3.08Å; H104-E110 VanDerWaalsContact NE2-OE2 3.09Å; H104-C127 HydrophobicContact CB-CB 4.19Å; H104-Y151 CarbonylContact O-C 3.58Å; H104-Y151 VanDerWaalsContact O-CA 3.24Å; H104-Y151 WeakPolarHBondContact O-CA 3.2Å; H104-C152 HydrophobicContact CB-CB 4.01Å; H104-C152 PolarHBondContact O-N 3.1Å
105V71Confident71.5Confident54 Ų5454.9 Ų54.933%0.32731%0.314SS..BIsolated β-bridgetrans-75.4122.3176-177.80000107.9N103 Y151N103-V105 PolarHBondContact O-N 3.35Å; V105-Y151 HydrophobicContact CB-CE1 4.28Å; V105-Y151 HydrophobicContact CG2-CD1 3.81Å; V105-Y151 HydrophobicContact CG2-CE1 3.23Å
106F71.8Confident72.4Confident6 Ų650.2 Ų50.23%0.02629%0.291CS..PPolyproline II helixtrans-71.1137.3178.7-61-62.4000112.1H104 E110 T112 V125 C127 S146 G148 G150 Y151 C152H104-F106 AromaticContact CD2-CD1 3.9Å; F106-E110 WeakPolarHBondContact CA-OE2 3.43Å; F106-T112 HydrophobicContact CB-CG2 4.47Å; F106-T112 HydrophobicContact CD1-CG2 3.5Å; F106-T112 HydrophobicContact CD2-CG2 3.88Å; F106-T112 HydrophobicContact CE1-CG2 3.5Å; F106-T112 HydrophobicContact CE2-CG2 3.9Å; F106-T112 HydrophobicContact CG-CG2 3.68Å; F106-T112 HydrophobicContact CZ-CG2 3.71Å; F106-V125 HydrophobicContact CE2-CB 4.31Å; F106-V125 HydrophobicContact CE2-CG2 3.46Å; F106-V125 VanDerWaalsContact CE2-CG2 3.46Å; F106-V125 HydrophobicContact CZ-CB 4.3Å; F106-V125 HydrophobicContact CZ-CG2 3.89Å; F106-C127 HydrophobicContact CE1-CB 3.7Å; F106-C127 HydrophobicContact CZ-CB 4.49Å; F106-S146 WeakPolarHBondContact CB-OG 3.24Å; F106-G148 CarbonylContact O-C 3.59Å; F106-G148 WeakPolarHBondContact O-CA 3.49Å; F106-G150 VanDerWaalsContact CD2-C 3.48Å; F106-G150 WeakPolarHBondContact CD2-O 3.19Å; F106-G150 PolarHBondContact N-O 3.39Å; F106-G150 VanDerWaalsContact N-O 3.15Å; F106-Y151 WeakPolarHBondContact CE2-O 3.28Å; F106-C152 HydrophobicContact CZ-CB 4.13Å
107A65.5Low73.2Confident59 Ų5949.6 Ų49.649%0.48830%0.298SS..PPolyproline II helixtrans-79.2156.8166.400000111G109 E110A107-G109 PolarHBondContact O-N 3.1Å; A107-E110 HydrophobicContact CB-CB 4.27Å; A107-E110 PolarHBondContact N-OE2 2.99Å; A107-E110 WeakPolarHBondContact O-CB 3.45Å; A107-E110 PolarHBondContact O-N 2.73Å
108N61.5Low74.9Confident132 Ų13243.9 Ų43.971%0.70627%0.272SS*.EExtended strand (participates in β ladder)trans-63.8127.4174.5-171.820.6000110.2E110 S146N108-E110 VanDerWaalsContact C-N 3.32Å; N108-S146 PolarHBondContact OD1-O 2.77Å
109G63.1Low76.4Confident48 Ų4840.5 Ų40.550%0.49524%0.244SC..EExtended strand (participates in β ladder)trans83.2-2.5-174.100000115.2A107 S146A107-G109 PolarHBondContact O-N 3.1Å; G109-S146 PolarHBondContact N-O 3.24Å
110E70.5Confident77.2Confident51 Ų5139 Ų3924%0.23824%0.235CC..EExtended strand (participates in β ladder)trans-69.2140.1177-169.1178.4170.600111.3H104 F106 A107 N108 T145 S146H104-E110 IonicContact CD2-OE1 2.76Å; H104-E110 IonicContact CD2-OE2 3.69Å; H104-E110 IonicContact CE1-OE1 3.89Å; H104-E110 IonicContact NE2-OE1 2.99Å; H104-E110 PolarHBondContact NE2-OE1 2.88Å; H104-E110 IonicContact NE2-OE2 2.94Å; H104-E110 PolarHBondContact NE2-OE2 3.08Å; H104-E110 VanDerWaalsContact NE2-OE2 3.09Å; F106-E110 WeakPolarHBondContact CA-OE2 3.43Å; A107-E110 HydrophobicContact CB-CB 4.27Å; A107-E110 PolarHBondContact N-OE2 2.99Å; A107-E110 WeakPolarHBondContact O-CB 3.45Å; A107-E110 PolarHBondContact O-N 2.73Å; N108-E110 VanDerWaalsContact C-N 3.32Å; E110-T145 WeakPolarHBondContact O-CA 3.26Å; E110-S146 PolarHBondContact O-N 3.05Å
111A78.5Confident77.3Confident22 Ų2236.9 Ų36.918%0.18223%0.226CC..EExtended strand (participates in β ladder)trans-73.8131177.100000111.7Y113 I143A111-Y113 HydrophobicContact CB-CE2 4.22Å; A111-I143 HydrophobicContact CB-CG2 4.13Å
112T85.2Confident77.2Confident5 Ų539 Ų393%0.03125%0.25CC..EExtended strand (participates in β ladder)trans-122.1144.6177.871.50000110.2F106 L126 I143 T144F106-T112 HydrophobicContact CB-CG2 4.47Å; F106-T112 HydrophobicContact CD1-CG2 3.5Å; F106-T112 HydrophobicContact CD2-CG2 3.88Å; F106-T112 HydrophobicContact CE1-CG2 3.5Å; F106-T112 HydrophobicContact CE2-CG2 3.9Å; F106-T112 HydrophobicContact CG-CG2 3.68Å; F106-T112 HydrophobicContact CZ-CG2 3.71Å; T112-L126 WeakPolarHBondContact CA-O 3.05Å; T112-I143 VanDerWaalsContact O-CA 3.32Å; T112-I143 WeakPolarHBondContact O-CA 3.09Å; T112-T144 PolarHBondContact N-O 3.46Å; T112-T144 PolarHBondContact O-N 2.86Å; T112-T144 PolarHBondContact OG1-O 3.38Å; T112-T144 PolarHBondContact OG1-OG1 3.33Å
113Y89.2Confident77Confident25 Ų2540.4 Ų40.410%0.09826%0.257CS..EExtended strand (participates in β ladder)trans-120.8123.1-169.3-59.8-99.7000110.8A111 V125 L126 A128 F131 Y141 M142 I143A111-Y113 HydrophobicContact CB-CE2 4.22Å; Y113-V125 CarbonylContact O-C 3.56Å; Y113-V125 WeakPolarHBondContact O-CA 3.43Å; Y113-L126 PolarHBondContact N-O 3.22Å; Y113-L126 PolarHBondContact O-N 2.9Å; Y113-A128 HydrophobicContact CE2-CB 3.84Å; Y113-F131 HydrophobicContact CD1-CB 4.36Å; Y113-F131 AromaticContact CD1-CD1 3.48Å; Y113-F131 HydrophobicContact CD1-CD1 3.48Å; Y113-F131 VanDerWaalsContact CD1-CD1 3.48Å; Y113-F131 AromaticContact CD1-CD2 4Å; Y113-F131 HydrophobicContact CD1-CD2 4Å; Y113-F131 AromaticContact CD1-CE1 3.64Å; Y113-F131 HydrophobicContact CD1-CE1 3.64Å; Y113-F131 HydrophobicContact CD1-CE2 4.14Å; Y113-F131 AromaticContact CD1-CG 3.67Å; Y113-F131 HydrophobicContact CD1-CG 3.67Å; Y113-F131 AromaticContact CD1-CZ 3.96Å; Y113-F131 HydrophobicContact CD1-CZ 3.96Å; Y113-F131 HydrophobicContact CD2-CB 3.92Å; Y113-F131 HydrophobicContact CD2-CD1 4.36Å; Y113-F131 HydrophobicContact CD2-CG 4.13Å; Y113-F131 AromaticContact CE1-CD1 3.7Å; Y113-F131 HydrophobicContact CE1-CD1 3.7Å; Y113-F131 AromaticContact CE1-CE1 3.84Å; Y113-F131 HydrophobicContact CE1-CE1 3.84Å; Y113-F131 HydrophobicContact CE1-CG 4.3Å; Y113-F131 HydrophobicContact CG-CB 3.82Å; Y113-F131 AromaticContact CG-CD1 3.85Å; Y113-F131 HydrophobicContact CG-CD1 3.85Å; Y113-F131 AromaticContact CG-CD2 3.92Å; Y113-F131 HydrophobicContact CG-CD2 3.92Å; Y113-F131 HydrophobicContact CG-CE1 4.4Å; Y113-F131 HydrophobicContact CG-CE2 4.47Å; Y113-F131 AromaticContact CG-CG 3.57Å; Y113-F131 HydrophobicContact CG-CG 3.57Å; Y113-Y141 AromaticContact CD1-CD2 3.96Å; Y113-Y141 HydrophobicContact CD1-CD2 3.96Å; Y113-Y141 HydrophobicContact CD1-CE2 4.01Å; Y113-Y141 HydrophobicContact CE1-CE2 4.29Å; Y113-M142 CarbonylContact C-O 3.36Å; Y113-M142 WeakPolarHBondContact CA-O 3.33Å; Y113-I143 HydrophobicContact CD1-CD1 4.48Å; Y113-I143 HydrophobicContact CD1-CG1 3.95Å; Y113-I143 HydrophobicContact CE1-CD1 4Å; Y113-I143 HydrophobicContact CE1-CG1 3.94Å; Y113-I143 HydrophobicContact CE1-CG2 4.41Å
114S88.3Confident77.6Confident8 Ų838.6 Ų38.66%0.05625%0.248CC..EExtended strand (participates in β ladder)trans-119.2137.9176.9-1720000111.1C124 Y141 M142S114-C124 WeakPolarHBondContact CB-O 3.25Å; S114-C124 PolarHBondContact OG-O 3.36Å; S114-Y141 CarbonylContact O-C 3.57Å; S114-Y141 WeakPolarHBondContact O-CA 3.45Å; S114-Y141 WeakPolarHBondContact O-CB 3.47Å; S114-M142 PolarHBondContact N-O 2.69Å; S114-M142 PolarHBondContact O-N 2.85Å
115C87.8Confident78.2Confident3 Ų336.1 Ų36.12%0.0224%0.238CC..EExtended strand (participates in β ladder)trans-93.3121.8176.9-179.10000111.3G117 C118 A119 H136 H139 K140 W160C115-G117 VanDerWaalsContact C-N 3.27Å; C115-G117 PolarHBondContact O-N 2.87Å; C115-C118 HydrophobicContact CB-CB 3.95Å; C115-C118 PolarHBondContact O-N 3.38Å; C115-C118 VanDerWaalsContact SG-SG 3.65Å; C115-A119 WeakPolarHBondContact O-CB 3.22Å; C115-A119 PolarHBondContact O-N 3.45Å; C115-H136 HydrophobicContact CB-CB 4.36Å; C115-H139 VanDerWaalsContact SG-CB 3.53Å; C115-K140 PolarHBondContact SG-O 3.22Å; C115-W160 HydrophobicContact CB-CZ3 3.86Å
116R79.6Confident79.2Confident31 Ų3133.8 Ų33.812%0.11722%0.224CC..THydrogen-bonded Turntrans-58.7-35.9-177.8-68.4-168.7179.8-156.66.3113.3K140 M142 E793 R800 N1774R116-K140 PolarHBondContact N-O 3.19Å; R116-M142 HydrophobicContact CG-CE 4.2Å; R116-M142 HydrophobicContact CG-CG 3.82Å; R116-M142 HydrophobicContact CG-SD 3.94Å; R116-M142 PolarHBondContact NE-SD 3.2Å; R116-M142 VanDerWaalsContact NE-SD 3.39Å; R116-E793 IonicContact NH1-OE1 3.68Å; R116-E793 PolarHBondContact NH1-OE1 2.98Å; R116-R800 PolarHBondContact NH1-O 3.25Å; R116-R800 VanDerWaalsContact NH1-O 3.13Å; R116-N1774 PolarHBondContact NH2-OD1 3.36Å
117G78Confident80Confident40 Ų4033.8 Ų33.841%0.41222%0.224SC..THydrogen-bonded Turntrans-91.8-30.5-177.900000115.1C115C115-G117 VanDerWaalsContact C-N 3.27Å; C115-G117 PolarHBondContact O-N 2.87Å
118C87.6Confident80.9Confident12 Ų1232.9 Ų32.98%0.08122%0.216CC..THydrogen-bonded Turntrans-96.2-26.7-173.2-59.30000113.1C115 A120 H139 W160 K161C115-C118 HydrophobicContact CB-CB 3.95Å; C115-C118 PolarHBondContact O-N 3.38Å; C115-C118 VanDerWaalsContact SG-SG 3.65Å; C118-A120 PolarHBondContact O-N 3.41Å; C118-H139 VanDerWaalsContact SG-CE1 3.58Å; C118-H139 PolarHBondContact SG-ND1 3.28Å; C118-W160 HydrophobicContact CB-CE3 3.98Å; C118-W160 HydrophobicContact CB-CZ3 4.5Å; C118-W160 CarbonylContact O-C 3.53Å; C118-W160 WeakPolarHBondContact O-CA 3.12Å; C118-K161 WeakPolarHBondContact O-CB 3.21Å; C118-K161 PolarHBondContact O-N 2.82Å
119A85.3Confident82.2Confident9 Ų929.6 Ų29.67%0.07420%0.204CC..BIsolated β-bridgetrans-60137.1-18000000111.4C115 C124 W160 K161C115-A119 WeakPolarHBondContact O-CB 3.22Å; C115-A119 PolarHBondContact O-N 3.45Å; A119-C124 HydrophobicContact CB-CB 3.9Å; A119-W160 HydrophobicContact CB-CE3 4.36Å; A119-W160 HydrophobicContact CB-CZ3 3.97Å; A119-K161 VanDerWaalsContact O-CE 3.31Å; A119-K161 WeakPolarHBondContact O-CE 3.32Å; A119-K161 PolarHBondContact O-NZ 3.2Å
120A78.5Confident83.5Confident30 Ų3027.4 Ų27.425%0.24818%0.181CC..SBendtrans-67.7-41.5173.200000110.7C118 E158 A159C118-A120 PolarHBondContact O-N 3.41Å; A120-E158 WeakPolarHBondContact CB-O 3.42Å; A120-A159 VanDerWaalsContact CB-O 3.22Å; A120-A159 WeakPolarHBondContact CB-O 3.29Å; A120-A159 PolarHBondContact N-O 2.79Å
121D74Confident84.5Confident24 Ų2425.2 Ų25.213%0.12817%0.171CC..SBendtrans-147169.4177.871.181.5000111.4T123 C124 T489D121-T123 PolarHBondContact O-N 2.69Å; D121-T123 VanDerWaalsContact O-N 3.09Å; D121-T123 WeakPolarHBondContact OD1-CA 3.43Å; D121-T123 VanDerWaalsContact OD1-CB 3.25Å; D121-T123 WeakPolarHBondContact OD1-CB 3.24Å; D121-T123 PolarHBondContact OD1-N 3Å; D121-T123 PolarHBondContact OD1-OG1 3.5Å; D121-C124 PolarHBondContact N-SG 3.45Å; D121-C124 PolarHBondContact O-N 2.77Å; D121-C124 PolarHBondContact O-SG 3.26Å; D121-C124 PolarHBondContact OD2-SG 3.09Å; D121-T489 HydrophobicContact CB-CG2 4.08Å
122P72Confident85Confident119 Ų11928.5 Ų28.577%0.77318%0.182SC*.THydrogen-bonded Turntrans-64.8-10-176-23.535.3000116
123T78Confident85.3Confident57 Ų5731.1 Ų31.135%0.3520%0.196SC..THydrogen-bonded Turntrans-89.2-7.9179.372.40000113.3D121 V125 V423 T427D121-T123 PolarHBondContact O-N 2.69Å; D121-T123 VanDerWaalsContact O-N 3.09Å; D121-T123 WeakPolarHBondContact OD1-CA 3.43Å; D121-T123 VanDerWaalsContact OD1-CB 3.25Å; D121-T123 WeakPolarHBondContact OD1-CB 3.24Å; D121-T123 PolarHBondContact OD1-N 3Å; D121-T123 PolarHBondContact OD1-OG1 3.5Å; T123-V125 PolarHBondContact O-N 3.43Å; T123-V423 HydrophobicContact CG2-CG2 4Å; T123-T427 HydrophobicContact CG2-CG2 4.3Å
124C86.3Confident85.4Confident2 Ų230.5 Ų30.51%0.01420%0.195CC..  trans-73.1121.7-179.2-49.10000112.1S114 A119 D121 D153 A159 W160S114-C124 WeakPolarHBondContact CB-O 3.25Å; S114-C124 PolarHBondContact OG-O 3.36Å; A119-C124 HydrophobicContact CB-CB 3.9Å; D121-C124 PolarHBondContact N-SG 3.45Å; D121-C124 PolarHBondContact O-N 2.77Å; D121-C124 PolarHBondContact O-SG 3.26Å; D121-C124 PolarHBondContact OD2-SG 3.09Å; C124-D153 VanDerWaalsContact CA-OD2 3.26Å; C124-D153 WeakPolarHBondContact CA-OD2 3.45Å; C124-A159 HydrophobicContact CB-CB 4.4Å; C124-A159 PolarHBondContact SG-O 3.45Å; C124-W160 HydrophobicContact CB-CH2 4.19Å; C124-W160 HydrophobicContact CB-CZ2 4.2Å; C124-W160 HydrophobicContact CB-CZ3 4.46Å
125V90.7Very high85.5Confident22 Ų2232.2 Ų32.213%0.13321%0.21CC..  trans-141148.6-171.8-71.80000114.1F106 Y113 T123 C152 D153F106-V125 HydrophobicContact CE2-CB 4.31Å; F106-V125 HydrophobicContact CE2-CG2 3.46Å; F106-V125 VanDerWaalsContact CE2-CG2 3.46Å; F106-V125 HydrophobicContact CZ-CB 4.3Å; F106-V125 HydrophobicContact CZ-CG2 3.89Å; Y113-V125 CarbonylContact O-C 3.56Å; Y113-V125 WeakPolarHBondContact O-CA 3.43Å; T123-V125 PolarHBondContact O-N 3.43Å; V125-C152 WeakPolarHBondContact O-CA 3.43Å; V125-D153 PolarHBondContact N-OD2 2.68Å; V125-D153 PolarHBondContact O-N 3.41Å
126L91.3Very high85.6Confident5 Ų532.2 Ų32.23%0.02621%0.209CC..EExtended strand (participates in β ladder)trans-113.6147.8174.7-59.8-177.8000111.3T112 Y113 C130 F131 H136 C154 W160T112-L126 WeakPolarHBondContact CA-O 3.05Å; Y113-L126 PolarHBondContact N-O 3.22Å; Y113-L126 PolarHBondContact O-N 2.9Å; L126-C130 HydrophobicContact CB-CB 4.49Å; L126-F131 HydrophobicContact CB-CB 4.23Å; L126-F131 HydrophobicContact CD1-CB 4.47Å; L126-F131 HydrophobicContact CD1-CD2 4.47Å; L126-H136 HydrophobicContact CD1-CB 4.33Å; L126-C154 HydrophobicContact CD2-CB 3.75Å; L126-W160 HydrophobicContact CD1-CH2 4.47Å; L126-W160 HydrophobicContact CD1-CZ2 4.33Å; L126-W160 HydrophobicContact CD2-CH2 4.38Å; L126-W160 HydrophobicContact CD2-CZ2 3.52Å; L126-W160 HydrophobicContact CG-CH2 3.96Å; L126-W160 HydrophobicContact CG-CZ2 3.58Å
127C89Confident85.9Confident6 Ų635 Ų354%0.04122%0.223CC..EExtended strand (participates in β ladder)trans-77.7161.3166.172.70000111.5H104 F106 S129 C130 F131 C152H104-C127 HydrophobicContact CB-CB 4.19Å; F106-C127 HydrophobicContact CE1-CB 3.7Å; F106-C127 HydrophobicContact CZ-CB 4.49Å; C127-S129 VanDerWaalsContact C-N 3.29Å; C127-S129 PolarHBondContact O-N 3.05Å; C127-C130 PolarHBondContact O-N 3.45Å; C127-C130 VanDerWaalsContact O-N 3.12Å; C127-C130 PolarHBondContact SG-N 3.32Å; C127-C130 VanDerWaalsContact SG-SG 3.67Å; C127-F131 WeakPolarHBondContact O-CB 3.46Å; C127-F131 PolarHBondContact O-N 2.87Å; C127-C152 HydrophobicContact CB-CB 4.06Å; C127-C152 PolarHBondContact N-SG 3.12Å
128A85.4Confident86.2Confident39 Ų3942.7 Ų42.732%0.32224%0.244SC..Hα-helixtrans-52.5-45.6-178.100000112.7Y113 C130 F131 E132Y113-A128 HydrophobicContact CE2-CB 3.84Å; A128-C130 PolarHBondContact O-N 2.99Å; A128-F131 PolarHBondContact O-N 2.97Å; A128-E132 VanDerWaalsContact O-CG 3.29Å; A128-E132 WeakPolarHBondContact O-CG 3.43Å; A128-E132 PolarHBondContact O-N 2.92Å
129S86.9Confident86.2Confident64 Ų6445.2 Ų45.245%0.44826%0.255SS..Hα-helixtrans-61-47.1178.4-178.30000112.5C127 E132 L133C127-S129 VanDerWaalsContact C-N 3.29Å; C127-S129 PolarHBondContact O-N 3.05Å; S129-E132 PolarHBondContact O-N 3.35Å; S129-L133 WeakPolarHBondContact O-CG 3.37Å; S129-L133 PolarHBondContact O-N 2.85Å
130C91.8Very high85.9Confident1 Ų149 Ų491%0.00727%0.27CS..Hα-helixtrans-67.5-41.6179.3-75.90000112.3C102 L126 C127 A128 E132 L133 S134 C154 C166 H169C102-C130 VanDerWaalsContact CB-SG 3.52Å; C102-C130 PolarHBondContact SG-SG 3.35Å; L126-C130 HydrophobicContact CB-CB 4.49Å; C127-C130 PolarHBondContact O-N 3.45Å; C127-C130 VanDerWaalsContact O-N 3.12Å; C127-C130 PolarHBondContact SG-N 3.32Å; C127-C130 VanDerWaalsContact SG-SG 3.67Å; A128-C130 PolarHBondContact O-N 2.99Å; C130-E132 VanDerWaalsContact C-N 3.34Å; C130-E132 PolarHBondContact O-N 3.5Å; C130-L133 CarbonylContact O-C 3.6Å; C130-L133 PolarHBondContact O-N 3.17Å; C130-S134 WeakPolarHBondContact O-CB 3.26Å; C130-S134 PolarHBondContact O-N 3.23Å; C130-C154 HydrophobicContact CB-CB 3.89Å; C130-C166 WeakPolarHBondContact O-CB 3.49Å; C130-H169 PolarHBondContact SG-CE1 3.23Å; C130-H169 PolarHBondContact SG-ND1 2.85Å; C130-H169 VanDerWaalsContact SG-ND1 3.44Å
131F91.3Very high86.2Confident5 Ų548.9 Ų48.92%0.02226%0.263CS..Hα-helixtrans-58.1-47.6177.6175.5-105.7000111Y113 L126 C127 A128 L133 S134 H136 K137 Y141Y113-F131 HydrophobicContact CD1-CB 4.36Å; Y113-F131 AromaticContact CD1-CD1 3.48Å; Y113-F131 HydrophobicContact CD1-CD1 3.48Å; Y113-F131 VanDerWaalsContact CD1-CD1 3.48Å; Y113-F131 AromaticContact CD1-CD2 4Å; Y113-F131 HydrophobicContact CD1-CD2 4Å; Y113-F131 AromaticContact CD1-CE1 3.64Å; Y113-F131 HydrophobicContact CD1-CE1 3.64Å; Y113-F131 HydrophobicContact CD1-CE2 4.14Å; Y113-F131 AromaticContact CD1-CG 3.67Å; Y113-F131 HydrophobicContact CD1-CG 3.67Å; Y113-F131 AromaticContact CD1-CZ 3.96Å; Y113-F131 HydrophobicContact CD1-CZ 3.96Å; Y113-F131 HydrophobicContact CD2-CB 3.92Å; Y113-F131 HydrophobicContact CD2-CD1 4.36Å; Y113-F131 HydrophobicContact CD2-CG 4.13Å; Y113-F131 AromaticContact CE1-CD1 3.7Å; Y113-F131 HydrophobicContact CE1-CD1 3.7Å; Y113-F131 AromaticContact CE1-CE1 3.84Å; Y113-F131 HydrophobicContact CE1-CE1 3.84Å; Y113-F131 HydrophobicContact CE1-CG 4.3Å; Y113-F131 HydrophobicContact CG-CB 3.82Å; Y113-F131 AromaticContact CG-CD1 3.85Å; Y113-F131 HydrophobicContact CG-CD1 3.85Å; Y113-F131 AromaticContact CG-CD2 3.92Å; Y113-F131 HydrophobicContact CG-CD2 3.92Å; Y113-F131 HydrophobicContact CG-CE1 4.4Å; Y113-F131 HydrophobicContact CG-CE2 4.47Å; Y113-F131 AromaticContact CG-CG 3.57Å; Y113-F131 HydrophobicContact CG-CG 3.57Å; L126-F131 HydrophobicContact CB-CB 4.23Å; L126-F131 HydrophobicContact CD1-CB 4.47Å; L126-F131 HydrophobicContact CD1-CD2 4.47Å; C127-F131 WeakPolarHBondContact O-CB 3.46Å; C127-F131 PolarHBondContact O-N 2.87Å; A128-F131 PolarHBondContact O-N 2.97Å; F131-L133 VanDerWaalsContact C-N 3.26Å; F131-L133 PolarHBondContact O-N 3.1Å; F131-S134 PolarHBondContact O-N 3.49Å; F131-S134 PolarHBondContact O-OG 2.82Å; F131-H136 HydrophobicContact CD2-CB 4.3Å; F131-H136 HydrophobicContact CE2-CB 4.27Å; F131-K137 HydrophobicContact CE1-CB 4.4Å; F131-K137 HydrophobicContact CE1-CG 4.36Å; F131-K137 HydrophobicContact CZ-CB 4.24Å; F131-K137 HydrophobicContact CZ-CG 4.47Å; F131-Y141 HydrophobicContact CE1-CD2 4.41Å; F131-Y141 HydrophobicContact CE1-CE1 4.45Å; F131-Y141 HydrophobicContact CE1-CE2 4.09Å; F131-Y141 AromaticContact CE2-CD1 3.94Å; F131-Y141 HydrophobicContact CE2-CD1 3.94Å; F131-Y141 AromaticContact CE2-CD2 3.96Å; F131-Y141 HydrophobicContact CE2-CD2 3.96Å; F131-Y141 HydrophobicContact CE2-CE1 4.45Å; F131-Y141 HydrophobicContact CE2-CE2 4.43Å; F131-Y141 AromaticContact CE2-CG 3.68Å; F131-Y141 HydrophobicContact CE2-CG 3.68Å; F131-Y141 AromaticContact CZ-CD1 3.54Å; F131-Y141 HydrophobicContact CZ-CD1 3.54Å; F131-Y141 AromaticContact CZ-CD2 3.61Å; F131-Y141 HydrophobicContact CZ-CD2 3.61Å; F131-Y141 AromaticContact CZ-CE1 3.6Å; F131-Y141 HydrophobicContact CZ-CE1 3.6Å; F131-Y141 AromaticContact CZ-CE2 3.63Å; F131-Y141 HydrophobicContact CZ-CE2 3.63Å; F131-Y141 AromaticContact CZ-CG 3.56Å; F131-Y141 HydrophobicContact CZ-CG 3.56Å; F131-Y141 AromaticContact CZ-CZ 3.64Å
132E88Confident86.6Confident91 Ų9149.6 Ų49.643%0.42527%0.266SS..Hα-helixtrans-67.5-25.1-177.4-67.3-64.8-107.600114.7A128 S129 C130 K137A128-E132 VanDerWaalsContact O-CG 3.29Å; A128-E132 WeakPolarHBondContact O-CG 3.43Å; A128-E132 PolarHBondContact O-N 2.92Å; S129-E132 PolarHBondContact O-N 3.35Å; C130-E132 VanDerWaalsContact C-N 3.34Å; C130-E132 PolarHBondContact O-N 3.5Å; E132-K137 IonicContact OE1-NZ 3.23Å; E132-K137 PolarHBondContact OE1-NZ 2.86Å; E132-K137 WeakPolarHBondContact OE2-CD 3.4Å; E132-K137 WeakPolarHBondContact OE2-CE 3.46Å; E132-K137 IonicContact OE2-NZ 3.32Å; E132-K137 PolarHBondContact OE2-NZ 2.6Å
133L91.7Very high86.9Confident60 Ų6044.9 Ų44.931%0.31423%0.234SC..THydrogen-bonded Turntrans-97.44.5174.9-62.1177.3000113.1S129 C130 F131 C166 Q167 Q168S129-L133 WeakPolarHBondContact O-CG 3.37Å; S129-L133 PolarHBondContact O-N 2.85Å; C130-L133 CarbonylContact O-C 3.6Å; C130-L133 PolarHBondContact O-N 3.17Å; F131-L133 VanDerWaalsContact C-N 3.26Å; F131-L133 PolarHBondContact O-N 3.1Å; L133-C166 HydrophobicContact CB-CB 4.21Å; L133-Q167 HydrophobicContact CB-CB 4.38Å; L133-Q167 VanDerWaalsContact O-CG 3.28Å; L133-Q167 WeakPolarHBondContact O-CG 3.4Å; L133-Q167 PolarHBondContact O-N 2.84Å; L133-Q168 HydrophobicContact CD1-CB 4.09Å
134S91.6Very high86.9Confident13 Ų1344.8 Ų44.89%0.09123%0.234CC..SBendtrans-101.2163.7-178.674.10000112.8C130 F131 H136C130-S134 WeakPolarHBondContact O-CB 3.26Å; C130-S134 PolarHBondContact O-N 3.23Å; F131-S134 PolarHBondContact O-N 3.49Å; F131-S134 PolarHBondContact O-OG 2.82Å; S134-H136 PolarHBondContact O-N 2.82Å; S134-H136 WeakPolarHBondContact OG-CB 3.32Å; S134-H136 PolarHBondContact OG-N 2.9Å
135A90.4Very high86.3Confident43 Ų4349.3 Ų49.336%0.35526%0.261SS..G310 helixtrans-64.1-25.7168.400000112.3K137 K138 D163A135-K137 PolarHBondContact O-N 3.15Å; A135-K137 VanDerWaalsContact O-N 3.14Å; A135-K138 PolarHBondContact O-N 3.18Å; A135-D163 HydrophobicContact CB-CB 4.04Å
136H90.4Very high85.3Confident3 Ų348.8 Ų48.81%0.01426%0.259CS..G310 helixtrans-63.7-20.6-175.8-61.8-7.7000114C115 L126 F131 S134 K138 H139 W160 A162 D163C115-H136 HydrophobicContact CB-CB 4.36Å; L126-H136 HydrophobicContact CD1-CB 4.33Å; F131-H136 HydrophobicContact CD2-CB 4.3Å; F131-H136 HydrophobicContact CE2-CB 4.27Å; S134-H136 PolarHBondContact O-N 2.82Å; S134-H136 WeakPolarHBondContact OG-CB 3.32Å; S134-H136 PolarHBondContact OG-N 2.9Å; H136-K138 PolarHBondContact O-N 3.16Å; H136-K138 VanDerWaalsContact O-N 3.16Å; H136-H139 AromaticContact ND1-CE1 3.83Å; H136-H139 AromaticContact ND1-ND1 3.41Å; H136-H139 PolarHBondContact ND1-ND1 3.47Å; H136-H139 WeakPolarHBondContact O-CB 3.36Å; H136-H139 PolarHBondContact O-N 2.98Å; H136-W160 AromaticContact CD2-CE3 3.89Å; H136-W160 AromaticContact CD2-CH2 3.97Å; H136-W160 AromaticContact CD2-CZ3 3.67Å; H136-W160 AromaticContact NE2-CD2 3.55Å; H136-W160 AromaticContact NE2-CE3 3.14Å; H136-W160 AromaticContact NE2-CZ3 3.44Å; H136-W160 WeakPolarHBondContact NE2-CZ3 3.46Å; H136-A162 PolarHBondContact CE1-O 3.07Å; H136-D163 PolarHBondContact CE1-O 3.14Å
137K85.8Confident83.9Confident91 Ų9151.8 Ų51.840%0.39628%0.28SS..G310 helixtrans-55-29.7170.1-175.5178.4-174.2141.10113.3F131 E132 A135F131-K137 HydrophobicContact CE1-CB 4.4Å; F131-K137 HydrophobicContact CE1-CG 4.36Å; F131-K137 HydrophobicContact CZ-CB 4.24Å; F131-K137 HydrophobicContact CZ-CG 4.47Å; E132-K137 IonicContact OE1-NZ 3.23Å; E132-K137 PolarHBondContact OE1-NZ 2.86Å; E132-K137 WeakPolarHBondContact OE2-CD 3.4Å; E132-K137 WeakPolarHBondContact OE2-CE 3.46Å; E132-K137 IonicContact OE2-NZ 3.32Å; E132-K137 PolarHBondContact OE2-NZ 2.6Å; A135-K137 PolarHBondContact O-N 3.15Å; A135-K137 VanDerWaalsContact O-N 3.14Å
138K84.1Confident82.6Confident200 Ų20052.1 Ų52.187%0.8728%0.284SS*.G310 helixtrans-95.1-2.6178-61.5-178.8-178.5177.10112.9A135 H136A135-K138 PolarHBondContact O-N 3.18Å; H136-K138 PolarHBondContact O-N 3.16Å; H136-K138 VanDerWaalsContact O-N 3.16Å
139H87.2Confident81.5Confident65 Ų6552.4 Ų52.430%0.30128%0.282SS..SBendtrans-93.1176.5178-62.4177000110.6C115 C118 H136 Y141 D163C115-H139 VanDerWaalsContact SG-CB 3.53Å; C118-H139 VanDerWaalsContact SG-CE1 3.58Å; C118-H139 PolarHBondContact SG-ND1 3.28Å; H136-H139 AromaticContact ND1-CE1 3.83Å; H136-H139 AromaticContact ND1-ND1 3.41Å; H136-H139 PolarHBondContact ND1-ND1 3.47Å; H136-H139 WeakPolarHBondContact O-CB 3.36Å; H136-H139 PolarHBondContact O-N 2.98Å; H139-Y141 WeakPolarHBondContact O-CD1 3.44Å; H139-Y141 PolarHBondContact O-N 3.22Å; H139-D163 IonicContact CE1-OD2 3.39Å; H139-D163 PolarHBondContact CE1-OD2 3.01Å; H139-D163 IonicContact NE2-OD2 2.7Å
140K78.9Confident80.8Confident90 Ų9049.8 Ų49.839%0.39127%0.265SS..  trans-77.5119.6165.4-70.2-172.9174.3-174.50109.6C115 R116 E806C115-K140 PolarHBondContact SG-O 3.22Å; R116-K140 PolarHBondContact N-O 3.19Å; K140-E806 IonicContact NZ-OE1 3.47Å; K140-E806 PolarHBondContact NZ-OE1 2.65Å; K140-E806 IonicContact NZ-OE2 2.82Å; K140-E806 PolarHBondContact NZ-OE2 3.14Å
141Y84.9Confident80Confident27 Ų2751.2 Ų51.211%0.10627%0.27CS..EExtended strand (participates in β ladder)trans-127.4163.9-177.367.3-85.8000111.4Y113 S114 F131 H139 I143 D1670 P1775Y113-Y141 AromaticContact CD1-CD2 3.96Å; Y113-Y141 HydrophobicContact CD1-CD2 3.96Å; Y113-Y141 HydrophobicContact CD1-CE2 4.01Å; Y113-Y141 HydrophobicContact CE1-CE2 4.29Å; S114-Y141 CarbonylContact O-C 3.57Å; S114-Y141 WeakPolarHBondContact O-CA 3.45Å; S114-Y141 WeakPolarHBondContact O-CB 3.47Å; F131-Y141 HydrophobicContact CE1-CD2 4.41Å; F131-Y141 HydrophobicContact CE1-CE1 4.45Å; F131-Y141 HydrophobicContact CE1-CE2 4.09Å; F131-Y141 AromaticContact CE2-CD1 3.94Å; F131-Y141 HydrophobicContact CE2-CD1 3.94Å; F131-Y141 AromaticContact CE2-CD2 3.96Å; F131-Y141 HydrophobicContact CE2-CD2 3.96Å; F131-Y141 HydrophobicContact CE2-CE1 4.45Å; F131-Y141 HydrophobicContact CE2-CE2 4.43Å; F131-Y141 AromaticContact CE2-CG 3.68Å; F131-Y141 HydrophobicContact CE2-CG 3.68Å; F131-Y141 AromaticContact CZ-CD1 3.54Å; F131-Y141 HydrophobicContact CZ-CD1 3.54Å; F131-Y141 AromaticContact CZ-CD2 3.61Å; F131-Y141 HydrophobicContact CZ-CD2 3.61Å; F131-Y141 AromaticContact CZ-CE1 3.6Å; F131-Y141 HydrophobicContact CZ-CE1 3.6Å; F131-Y141 AromaticContact CZ-CE2 3.63Å; F131-Y141 HydrophobicContact CZ-CE2 3.63Å; F131-Y141 AromaticContact CZ-CG 3.56Å; F131-Y141 HydrophobicContact CZ-CG 3.56Å; F131-Y141 AromaticContact CZ-CZ 3.64Å; H139-Y141 WeakPolarHBondContact O-CD1 3.44Å; H139-Y141 PolarHBondContact O-N 3.22Å; Y141-I143 HydrophobicContact CD2-CG1 3.95Å; Y141-I143 HydrophobicContact CE2-CD1 3.86Å; Y141-I143 HydrophobicContact CE2-CG1 3.74Å; Y141-D1670 PolarHBondContact OH-OD2 3.09Å; Y141-P1775 HydrophobicContact CD2-CG 4.31Å; Y141-P1775 HydrophobicContact CE1-CG 4.06Å; Y141-P1775 HydrophobicContact CE2-CG 3.79Å
142M82.2Confident79.9Confident39 Ų3951 Ų5119%0.19227%0.269CS..EExtended strand (participates in β ladder)trans-124150.5173.8-63.1-176.6-55.100109.5Y113 S114 R116 S1773Y113-M142 CarbonylContact C-O 3.36Å; Y113-M142 WeakPolarHBondContact CA-O 3.33Å; S114-M142 PolarHBondContact N-O 2.69Å; S114-M142 PolarHBondContact O-N 2.85Å; R116-M142 HydrophobicContact CG-CE 4.2Å; R116-M142 HydrophobicContact CG-CG 3.82Å; R116-M142 HydrophobicContact CG-SD 3.94Å; R116-M142 PolarHBondContact NE-SD 3.2Å; R116-M142 VanDerWaalsContact NE-SD 3.39Å; M142-S1773 CarbonylContact C-O 3.35Å; M142-S1773 WeakPolarHBondContact CA-O 3.08Å; M142-S1773 WeakPolarHBondContact CB-O 3.3Å
143I79.2Confident79.8Confident19 Ų1948.6 Ų48.610%0.09726%0.26CS..EExtended strand (participates in β ladder)trans-119120.4179.9-47.4174.8000109.9A111 T112 Y113 Y141 D1670 S1773A111-I143 HydrophobicContact CB-CG2 4.13Å; T112-I143 VanDerWaalsContact O-CA 3.32Å; T112-I143 WeakPolarHBondContact O-CA 3.09Å; Y113-I143 HydrophobicContact CD1-CD1 4.48Å; Y113-I143 HydrophobicContact CD1-CG1 3.95Å; Y113-I143 HydrophobicContact CE1-CD1 4Å; Y113-I143 HydrophobicContact CE1-CG1 3.94Å; Y113-I143 HydrophobicContact CE1-CG2 4.41Å; Y141-I143 HydrophobicContact CD2-CG1 3.95Å; Y141-I143 HydrophobicContact CE2-CD1 3.86Å; Y141-I143 HydrophobicContact CE2-CG1 3.74Å; I143-D1670 VanDerWaalsContact CD1-CG 3.46Å; I143-D1670 WeakPolarHBondContact CD1-OD1 3.24Å; I143-S1773 PolarHBondContact N-O 3.28Å; I143-S1773 WeakPolarHBondContact O-CA 3.42Å; I143-S1773 WeakPolarHBondContact O-CB 3.24Å; I143-S1773 PolarHBondContact O-OG 3.03Å
144T77.2Confident79.7Confident56 Ų5645.8 Ų45.834%0.34425%0.245SC..EExtended strand (participates in β ladder)trans-122.3146.817547.30000110T112 S1773T112-T144 PolarHBondContact N-O 3.46Å; T112-T144 PolarHBondContact O-N 2.86Å; T112-T144 PolarHBondContact OG1-O 3.38Å; T112-T144 PolarHBondContact OG1-OG1 3.33Å; T144-S1773 VanDerWaalsContact CG2-OG 3.27Å; T144-S1773 WeakPolarHBondContact CG2-OG 3.11Å
145T74.3Confident79.4Confident97 Ų9745.4 Ų45.460%0.59524%0.243SC*.EExtended strand (participates in β ladder)trans-82.1130.5170.7430000109.8E110E110-T145 WeakPolarHBondContact O-CA 3.26Å
146S70.4Confident79Confident11 Ų1144 Ų448%0.07723%0.229CC..EExtended strand (participates in β ladder)trans-71.7141.6176.3-173.80000110.7F106 N108 G109 E110 G148F106-S146 WeakPolarHBondContact CB-OG 3.24Å; N108-S146 PolarHBondContact OD1-O 2.77Å; G109-S146 PolarHBondContact N-O 3.24Å; E110-S146 PolarHBondContact O-N 3.05Å; S146-G148 PolarHBondContact O-N 3.43Å; S146-G148 PolarHBondContact OG-N 3.18Å
147S62Low78.5Confident67 Ų6747.6 Ų47.647%0.46925%0.253SS..EExtended strand (participates in β ladder)trans-74.83.8164.347.40000113.2T149S147-T149 PolarHBondContact OG-OG1 2.64Å
148G61.9Low78.3Confident13 Ų1347.1 Ų47.113%0.13425%0.252CS..SBendtrans86.87.5-173.500000114.2F106 S146F106-G148 CarbonylContact O-C 3.59Å; F106-G148 WeakPolarHBondContact O-CA 3.49Å; S146-G148 PolarHBondContact O-N 3.43Å; S146-G148 PolarHBondContact OG-N 3.18Å
149T62.4Low78.2Confident46 Ų4638 Ų3828%0.28221%0.214SC..  trans-118.3100.6-179.8490000109.8S147 V415S147-T149 PolarHBondContact OG-OG1 2.64Å; T149-V415 HydrophobicContact CG2-CG1 3.98Å
150G70.3Confident78.2Confident8 Ų835.4 Ų35.48%0.08220%0.202CC..  trans152.4170.1177.600000113.6F106F106-G150 VanDerWaalsContact CD2-C 3.48Å; F106-G150 WeakPolarHBondContact CD2-O 3.19Å; F106-G150 PolarHBondContact N-O 3.39Å; F106-G150 VanDerWaalsContact N-O 3.15Å
151Y76.7Confident78.5Confident31 Ų3138.3 Ų38.312%0.12221%0.214CC..BIsolated β-bridgetrans-129.8153.1179.7-63.5-99.5000110.8N103 H104 V105 F106 D153 M379N103-Y151 HydrophobicContact CB-CD1 4.21Å; N103-Y151 WeakPolarHBondContact O-CD1 3.37Å; H104-Y151 CarbonylContact O-C 3.58Å; H104-Y151 VanDerWaalsContact O-CA 3.24Å; H104-Y151 WeakPolarHBondContact O-CA 3.2Å; V105-Y151 HydrophobicContact CB-CE1 4.28Å; V105-Y151 HydrophobicContact CG2-CD1 3.81Å; V105-Y151 HydrophobicContact CG2-CE1 3.23Å; F106-Y151 WeakPolarHBondContact CE2-O 3.28Å; Y151-D153 PolarHBondContact O-N 3.05Å; Y151-M379 HydrophobicContact CE2-CB 3.49Å; Y151-M379 VanDerWaalsContact CE2-CB 3.49Å; Y151-M379 HydrophobicContact CE2-CG 3.99Å; Y151-M379 HydrophobicContact CE2-SD 3.76Å; Y151-M379 WeakPolarHBondContact OH-CB 3.43Å
152C88.5Confident78.7Confident0 Ų039.1 Ų39.10%023%0.227CC..  trans-65.7121.1166.6177.80000111.1C102 N103 H104 F106 V125 C127 C154C102-C152 HydrophobicContact CB-CB 4.06Å; N103-C152 PolarHBondContact N-O 2.79Å; H104-C152 HydrophobicContact CB-CB 4.01Å; H104-C152 PolarHBondContact O-N 3.1Å; F106-C152 HydrophobicContact CZ-CB 4.13Å; V125-C152 WeakPolarHBondContact O-CA 3.43Å; C127-C152 HydrophobicContact CB-CB 4.06Å; C127-C152 PolarHBondContact N-SG 3.12Å; C152-C154 PolarHBondContact O-N 2.85Å; C152-C154 WeakPolarHBondContact SG-CB 2.83Å; C152-C154 PolarHBondContact SG-N 2.83Å
153D86.5Confident79Confident41 Ų4140.8 Ų40.822%0.21924%0.237CC..  trans-79.69.1178.5-64.4-54.4000113.8C124 V125 Y151 G155 D156 A159 W160C124-D153 VanDerWaalsContact CA-OD2 3.26Å; C124-D153 WeakPolarHBondContact CA-OD2 3.45Å; V125-D153 PolarHBondContact N-OD2 2.68Å; V125-D153 PolarHBondContact O-N 3.41Å; Y151-D153 PolarHBondContact O-N 3.05Å; D153-G155 PolarHBondContact O-N 2.88Å; D153-D156 PolarHBondContact O-N 2.67Å; D153-D156 VanDerWaalsContact O-N 3.07Å; D153-A159 HydrophobicContact CB-CB 3.73Å; D153-W160 HydrophobicContact CB-CZ2 4.31Å; D153-W160 PolarHBondContact O-NE1 3.23Å
154C89.8Confident79.5Confident2 Ų241.1 Ų41.11%0.01424%0.24CC..THydrogen-bonded Turntrans-59.7126174.7-178.10000109.3R101 C102 L126 C130 C152 C166R101-C154 CarbonylContact C-O 3.58Å; R101-C154 VanDerWaalsContact CA-O 3.25Å; R101-C154 WeakPolarHBondContact CA-O 3.46Å; C102-C154 HydrophobicContact CB-CB 3.72Å; C102-C154 PolarHBondContact N-O 2.97Å; L126-C154 HydrophobicContact CD2-CB 3.75Å; C130-C154 HydrophobicContact CB-CB 3.89Å; C152-C154 PolarHBondContact O-N 2.85Å; C152-C154 WeakPolarHBondContact SG-CB 2.83Å; C152-C154 PolarHBondContact SG-N 2.83Å; C154-C166 PolarHBondContact SG-N 2.8Å; C154-C166 VanDerWaalsContact SG-N 3.38Å
155G85Confident80.1Confident4 Ų441.9 Ų41.94%0.04124%0.239CC..THydrogen-bonded Turntrans91.8-0.6-178.100000115.3H100 D153 P157 P164H100-G155 VanDerWaalsContact O-CA 3.26Å; H100-G155 WeakPolarHBondContact O-CA 3.21Å; D153-G155 PolarHBondContact O-N 2.88Å; G155-P157 VanDerWaalsContact O-CD 3.24Å; G155-P157 WeakPolarHBondContact O-CD 3.46Å; G155-P164 WeakPolarHBondContact CA-O 3.38Å; G155-P164 PolarHBondContact N-O 3.39Å
156D81Confident81Confident13 Ų1337.4 Ų37.47%0.0721%0.211CC..  trans-94.4104.1173.1-158.1-19.1000111.4R101 D153 E158 A159 R389R101-D156 IonicContact CZ-OD1 3.22Å; R101-D156 IonicContact CZ-OD2 3.52Å; R101-D156 IonicContact NH1-OD1 3.03Å; R101-D156 IonicContact NH1-OD2 2.64Å; R101-D156 PolarHBondContact NH1-OD2 2.89Å; R101-D156 VanDerWaalsContact NH2-CG 3.3Å; R101-D156 IonicContact NH2-OD1 2.69Å; R101-D156 PolarHBondContact NH2-OD1 3.38Å; R101-D156 IonicContact NH2-OD2 2.93Å; R101-D156 PolarHBondContact NH2-OD2 2.92Å; D153-D156 PolarHBondContact O-N 2.67Å; D153-D156 VanDerWaalsContact O-N 3.07Å; D156-E158 PolarHBondContact O-N 3.06Å; D156-E158 VanDerWaalsContact O-N 3.16Å; D156-E158 PolarHBondContact OD1-N 3.13Å; D156-E158 VanDerWaalsContact OD1-N 3.08Å; D156-A159 HydrophobicContact CB-CB 4.06Å; D156-A159 PolarHBondContact O-N 3.29Å; D156-A159 VanDerWaalsContact O-N 3.13Å; D156-R389 IonicContact OD2-NH1 3.4Å
157P81.2Confident81.8Confident79 Ų7943.5 Ų43.551%0.51324%0.239SC..THydrogen-bonded Turntrans-66.8-11.6177.328.9-35.7000113.6G155 P164G155-P157 VanDerWaalsContact O-CD 3.24Å; G155-P157 WeakPolarHBondContact O-CD 3.46Å; P157-P164 HydrophobicContact CB-CB 4.44Å; P157-P164 HydrophobicContact CB-CG 4.45Å
158E80.6Confident82.9Confident81 Ų8145.5 Ų45.538%0.37924%0.241SC..THydrogen-bonded Turntrans-81-27.9172.4-66.1-166-176.200112.8A120 D156 V428 S430A120-E158 WeakPolarHBondContact CB-O 3.42Å; D156-E158 PolarHBondContact O-N 3.06Å; D156-E158 VanDerWaalsContact O-N 3.16Å; D156-E158 PolarHBondContact OD1-N 3.13Å; D156-E158 VanDerWaalsContact OD1-N 3.08Å; E158-V428 WeakPolarHBondContact OE2-CG1 3.03Å; E158-S430 WeakPolarHBondContact OE1-CB 3.06Å; E158-S430 PolarHBondContact OE1-OG 2.73Å; E158-S430 PolarHBondContact OE2-OG 3.31Å
159A82.5Confident84Confident9 Ų945.6 Ų45.67%0.07424%0.238CC..THydrogen-bonded Turntrans-80-20.8-179.800000112.8A120 C124 D153 D156A120-A159 VanDerWaalsContact CB-O 3.22Å; A120-A159 WeakPolarHBondContact CB-O 3.29Å; A120-A159 PolarHBondContact N-O 2.79Å; C124-A159 HydrophobicContact CB-CB 4.4Å; C124-A159 PolarHBondContact SG-O 3.45Å; D153-A159 HydrophobicContact CB-CB 3.73Å; D156-A159 HydrophobicContact CB-CB 4.06Å; D156-A159 PolarHBondContact O-N 3.29Å; D156-A159 VanDerWaalsContact O-N 3.13Å
160W87.6Confident84.9Confident10 Ų1049.4 Ų49.44%0.03825%0.252CS..BIsolated β-bridgetrans-127.1127.2-174.5-54.597.3000112.2C115 C118 A119 C124 L126 H136 D153 A162 P164C115-W160 HydrophobicContact CB-CZ3 3.86Å; C118-W160 HydrophobicContact CB-CE3 3.98Å; C118-W160 HydrophobicContact CB-CZ3 4.5Å; C118-W160 CarbonylContact O-C 3.53Å; C118-W160 WeakPolarHBondContact O-CA 3.12Å; A119-W160 HydrophobicContact CB-CE3 4.36Å; A119-W160 HydrophobicContact CB-CZ3 3.97Å; C124-W160 HydrophobicContact CB-CH2 4.19Å; C124-W160 HydrophobicContact CB-CZ2 4.2Å; C124-W160 HydrophobicContact CB-CZ3 4.46Å; L126-W160 HydrophobicContact CD1-CH2 4.47Å; L126-W160 HydrophobicContact CD1-CZ2 4.33Å; L126-W160 HydrophobicContact CD2-CH2 4.38Å; L126-W160 HydrophobicContact CD2-CZ2 3.52Å; L126-W160 HydrophobicContact CG-CH2 3.96Å; L126-W160 HydrophobicContact CG-CZ2 3.58Å; H136-W160 AromaticContact CD2-CE3 3.89Å; H136-W160 AromaticContact CD2-CH2 3.97Å; H136-W160 AromaticContact CD2-CZ3 3.67Å; H136-W160 AromaticContact NE2-CD2 3.55Å; H136-W160 AromaticContact NE2-CE3 3.14Å; H136-W160 AromaticContact NE2-CZ3 3.44Å; H136-W160 WeakPolarHBondContact NE2-CZ3 3.46Å; D153-W160 HydrophobicContact CB-CZ2 4.31Å; D153-W160 PolarHBondContact O-NE1 3.23Å; W160-A162 PolarHBondContact O-N 2.75Å; W160-P164 HydrophobicContact CB-CB 4.11Å
161K84.6Confident85.1Confident151 Ų15152.4 Ų52.466%0.65727%0.27SS*.SBendtrans-65.5-28.1172.2-63.8168.1-179.8141.50112.2C118 A119C118-K161 WeakPolarHBondContact O-CB 3.21Å; C118-K161 PolarHBondContact O-N 2.82Å; A119-K161 VanDerWaalsContact O-CE 3.31Å; A119-K161 WeakPolarHBondContact O-CE 3.32Å; A119-K161 PolarHBondContact O-NZ 3.2Å
162A88.1Confident84.6Confident45 Ų4557.8 Ų57.837%0.37229%0.294SS..SBendtrans-153.5157.2179.300000110.6H136 W160H136-A162 PolarHBondContact CE1-O 3.07Å; W160-A162 PolarHBondContact O-N 2.75Å
163D90.1Very high82.9Confident74 Ų7467.5 Ų67.540%0.39634%0.337SS..  trans46.355.3-179.5-50.5-52.3000115.8A135 H136 H139 F165A135-D163 HydrophobicContact CB-CB 4.04Å; H136-D163 PolarHBondContact CE1-O 3.14Å; H139-D163 IonicContact CE1-OD2 3.39Å; H139-D163 PolarHBondContact CE1-OD2 3.01Å; H139-D163 IonicContact NE2-OD2 2.7Å; D163-F165 PolarHBondContact O-N 3.08Å; D163-F165 VanDerWaalsContact O-N 3.13Å
164P89.2Confident81.2Confident26 Ų2671.3 Ų71.317%0.16937%0.366CS..  trans-67.3-12.8-176.825.6-33000114.6G155 P157 W160G155-P164 WeakPolarHBondContact CA-O 3.38Å; G155-P164 PolarHBondContact N-O 3.39Å; P157-P164 HydrophobicContact CB-CB 4.44Å; P157-P164 HydrophobicContact CB-CG 4.45Å; W160-P164 HydrophobicContact CB-CB 4.11Å
165F90.2Very high79.5Confident71 Ų7174 Ų7431%0.31138%0.38SS..  trans-116.9139-174.1-52.2-77.7000111.7D163 H169 P171D163-F165 PolarHBondContact O-N 3.08Å; D163-F165 VanDerWaalsContact O-N 3.13Å; F165-H169 WeakPolarHBondContact CD1-O 3.38Å; F165-P171 HydrophobicContact CD1-CG 4.21Å; F165-P171 HydrophobicContact CD2-CG 4.43Å; F165-P171 HydrophobicContact CE1-CG 3.89Å; F165-P171 HydrophobicContact CE2-CG 4.1Å; F165-P171 HydrophobicContact CZ-CG 3.84Å
166C91.8Very high78.2Confident3 Ų376.8 Ų76.82%0.0240%0.397CS..  trans-86.8168.1162.280.70000110.7C130 L133 C154 Q168 H169 E170C130-C166 WeakPolarHBondContact O-CB 3.49Å; L133-C166 HydrophobicContact CB-CB 4.21Å; C154-C166 PolarHBondContact SG-N 2.8Å; C154-C166 VanDerWaalsContact SG-N 3.38Å; C166-Q168 PolarHBondContact O-N 3.43Å; C166-Q168 VanDerWaalsContact O-N 3.12Å; C166-Q168 PolarHBondContact SG-N 2.81Å; C166-H169 CarbonylContact O-C 3.6Å; C166-H169 PolarHBondContact O-N 2.75Å; C166-H169 PolarHBondContact SG-ND1 3.11Å; C166-E170 PolarHBondContact O-N 2.93Å
167Q88.8Confident77.1Confident139 Ų13979.2 Ų79.265%0.6542%0.415SS*.THydrogen-bonded Turntrans-56.9-29.5179.8-67.5167.725.700113.7L133L133-Q167 HydrophobicContact CB-CB 4.38Å; L133-Q167 VanDerWaalsContact O-CG 3.28Å; L133-Q167 WeakPolarHBondContact O-CG 3.4Å; L133-Q167 PolarHBondContact O-N 2.84Å
168Q83.9Confident76.4Confident109 Ų10978.6 Ų78.651%0.50941%0.406SS..THydrogen-bonded Turntrans-77.9-32.7178.3-175.2177.3-3.600112.9L133 C166L133-Q168 HydrophobicContact CD1-CB 4.09Å; C166-Q168 PolarHBondContact O-N 3.43Å; C166-Q168 VanDerWaalsContact O-N 3.12Å; C166-Q168 PolarHBondContact SG-N 2.81Å
169H85.4Confident75.7Confident16 Ų1682.3 Ų82.37%0.07442%0.423CS..THydrogen-bonded Turntrans-106.110-173.3-63.5112.2000113.2C102 C130 F165 C166C102-H169 WeakPolarHBondContact CA-NE2 2.86Å; C102-H169 WeakPolarHBondContact CB-CE1 3.44Å; C130-H169 PolarHBondContact SG-CE1 3.23Å; C130-H169 PolarHBondContact SG-ND1 2.85Å; C130-H169 VanDerWaalsContact SG-ND1 3.44Å; F165-H169 WeakPolarHBondContact CD1-O 3.38Å; C166-H169 CarbonylContact O-C 3.6Å; C166-H169 PolarHBondContact O-N 2.75Å; C166-H169 PolarHBondContact SG-ND1 3.11Å
170E81.9Confident75.1Confident125 Ų12583.8 Ų83.858%0.58444%0.435SS*.SBendtrans-58.7139174.8-165.1172.5-163.400110.6C166 K172C166-E170 PolarHBondContact O-N 2.93Å; E170-K172 PolarHBondContact O-N 3.37Å
171P73.1Confident74.2Confident71 Ų7183.3 Ų83.346%0.46143%0.433SS..  trans-61.993.7179.8-21.632.6000113H100 F165H100-P171 WeakPolarHBondContact ND1-CA 3.17Å; F165-P171 HydrophobicContact CD1-CG 4.21Å; F165-P171 HydrophobicContact CD2-CG 4.43Å; F165-P171 HydrophobicContact CE1-CG 3.89Å; F165-P171 HydrophobicContact CE2-CG 4.1Å; F165-P171 HydrophobicContact CZ-CG 3.84Å
172K66.2Low73.5Confident144 Ų14476.9 Ų76.963%0.62641%0.408SS*.  trans-69.5147167.7-64.6-179.4-176.1173.50109.6E170E170-K172 PolarHBondContact O-N 3.37Å
173K53.3Low72.9Confident205 Ų20579.3 Ų79.389%0.89142%0.423SS*.SBendtrans-38136.8-174.5-78.4180176.21770113.3L175K173-L175 PolarHBondContact O-N 3.29Å; K173-L175 VanDerWaalsContact O-N 3.09Å
174S50.9Low72.5Confident120 Ų12080.2 Ų80.284%0.83943%0.427SS*.  trans-19.696-176.359.80000115.5
175L55Low72.2Confident59 Ų5980 Ų8031%0.30943%0.425SS..PPolyproline II helixtrans-60.5146.8162.7-75.8155.5000109.5E97 K173 S177E97-L175 HydrophobicContact CB-CD2 4.04Å; K173-L175 PolarHBondContact O-N 3.29Å; K173-L175 VanDerWaalsContact O-N 3.09Å; L175-S177 PolarHBondContact O-N 3.45Å
176P56.3Low71.8Confident62 Ų6278 Ų7840%0.40342%0.418SS..PPolyproline II helixtrans-56.9132.5170.722.8-30.3000109.2A180 V181P176-A180 HydrophobicContact CB-CB 4.23Å; P176-V181 HydrophobicContact CB-CG2 3.91Å; P176-V181 HydrophobicContact CG-CG2 3.85Å
177S59.5Low71.2Confident64 Ų6486.5 Ų86.545%0.44846%0.458SS..PPolyproline II helixtrans-58.9153.5179.864.20000110.4L175 E179 A180 V181L175-S177 PolarHBondContact O-N 3.45Å; S177-E179 PolarHBondContact O-N 2.89Å; S177-E179 VanDerWaalsContact O-N 3.08Å; S177-A180 WeakPolarHBondContact O-CA 3.16Å; S177-A180 WeakPolarHBondContact O-CB 3.38Å; S177-A180 PolarHBondContact O-N 3.34Å; S177-A180 WeakPolarHBondContact OG-CB 3.21Å; S177-A180 PolarHBondContact OG-N 3.23Å; S177-A180 VanDerWaalsContact OG-N 3.17Å; S177-V181 PolarHBondContact O-N 2.97Å
178H66Low70.8Confident67 Ų6780.5 Ų80.531%0.3143%0.433SS..Hα-helixtrans-52.1-33.7174.9-164.2-61.9000111.9A182 L331 P334H178-A182 WeakPolarHBondContact O-CB 3.09Å; H178-A182 PolarHBondContact O-N 2.79Å; H178-L331 WeakPolarHBondContact NE2-CA 3.34Å; H178-P334 WeakPolarHBondContact CE1-CG 3.27Å; H178-P334 WeakPolarHBondContact NE2-CD 3.47Å
179E65.9Low70.8Confident159 Ų15975.3 Ų75.374%0.74341%0.409SS*.Hα-helixtrans-68.8-39.4174.9-64.6173.9165.900112.5S177 A182 S183S177-E179 PolarHBondContact O-N 2.89Å; S177-E179 VanDerWaalsContact O-N 3.08Å; E179-A182 PolarHBondContact O-N 3.47Å; E179-S183 PolarHBondContact O-N 3.29Å
180A68.5Low70.7Confident40 Ų4080 Ų8033%0.33143%0.431SS..Hα-helixtrans-66.4-41.5176.200000111.7P176 S177 S183P176-A180 HydrophobicContact CB-CB 4.23Å; S177-A180 WeakPolarHBondContact O-CA 3.16Å; S177-A180 WeakPolarHBondContact O-CB 3.38Å; S177-A180 PolarHBondContact O-N 3.34Å; S177-A180 WeakPolarHBondContact OG-CB 3.21Å; S177-A180 PolarHBondContact OG-N 3.23Å; S177-A180 VanDerWaalsContact OG-N 3.17Å; A180-S183 PolarHBondContact O-N 3.13Å; A180-S183 PolarHBondContact O-OG 2.89Å
181V70Confident70.8Confident0 Ų079.1 Ų79.10%043%0.427CS..Hα-helixtrans-71.4-40.1176.5-174.90000111.2I93 L96 P176 S177 S183 L184 L331I93-V181 HydrophobicContact CG2-CG1 3.55Å; L96-V181 HydrophobicContact CD1-CG1 4.41Å; L96-V181 HydrophobicContact CD2-CG2 4.3Å; L96-V181 HydrophobicContact CG-CG2 4.26Å; P176-V181 HydrophobicContact CB-CG2 3.91Å; P176-V181 HydrophobicContact CG-CG2 3.85Å; S177-V181 PolarHBondContact O-N 2.97Å; V181-S183 PolarHBondContact O-N 3.31Å; V181-L184 WeakPolarHBondContact O-CB 3.34Å; V181-L184 PolarHBondContact O-N 3.26Å; V181-L331 HydrophobicContact CB-CD2 4.22Å; V181-L331 HydrophobicContact CG1-CD1 3.96Å; V181-L331 HydrophobicContact CG1-CD2 3.97Å
182A68.8Low71.4Confident16 Ų1675.9 Ų75.913%0.13241%0.405CS..Hα-helixtrans-59.6-35.9175.600000112.2H178 E179 L184 L185H178-A182 WeakPolarHBondContact O-CB 3.09Å; H178-A182 PolarHBondContact O-N 2.79Å; E179-A182 PolarHBondContact O-N 3.47Å; A182-L184 PolarHBondContact O-N 2.69Å; A182-L184 VanDerWaalsContact O-N 3.14Å; A182-L185 HydrophobicContact CB-CD1 4.33Å; A182-L185 VanDerWaalsContact O-CB 3.29Å; A182-L185 WeakPolarHBondContact O-CB 3.2Å; A182-L185 WeakPolarHBondContact O-CG 3.47Å; A182-L185 PolarHBondContact O-N 2.89Å
183S75.2Confident72.6Confident96 Ų9669.1 Ų69.167%0.67138%0.376SS*.THydrogen-bonded Turntrans-64.6-14.9176.176.50000114.9E179 A180 V181E179-S183 PolarHBondContact O-N 3.29Å; A180-S183 PolarHBondContact O-N 3.13Å; A180-S183 PolarHBondContact O-OG 2.89Å; V181-S183 PolarHBondContact O-N 3.31Å
184L82.6Confident74.2Confident92 Ų9262.9 Ų62.948%0.48235%0.35SS..THydrogen-bonded Turntrans-89.8-5.3175.6-60.2171.4000112.8I93 P94 V181 A182I93-L184 HydrophobicContact CG1-CB 4.33Å; P94-L184 HydrophobicContact CG-CD1 4.27Å; V181-L184 WeakPolarHBondContact O-CB 3.34Å; V181-L184 PolarHBondContact O-N 3.26Å; A182-L184 PolarHBondContact O-N 2.69Å; A182-L184 VanDerWaalsContact O-N 3.14Å
185L83.2Confident76Confident23 Ų2357.5 Ų57.512%0.1231%0.312CS..SBendtrans-67.8142.6178.8-69166.9000110.5F87 I93 A182 T189 E190 W193F87-L185 HydrophobicContact CE1-CD2 4.14Å; I93-L185 HydrophobicContact CD1-CD2 3.72Å; A182-L185 HydrophobicContact CB-CD1 4.33Å; A182-L185 VanDerWaalsContact O-CB 3.29Å; A182-L185 WeakPolarHBondContact O-CB 3.2Å; A182-L185 WeakPolarHBondContact O-CG 3.47Å; A182-L185 PolarHBondContact O-N 2.89Å; L185-T189 HydrophobicContact CD2-CG2 4.19Å; L185-E190 HydrophobicContact CD1-CG 4.18Å; L185-W193 HydrophobicContact CD1-CH2 4.06Å; L185-W193 HydrophobicContact CD1-CZ3 3.8Å; L185-W193 HydrophobicContact CD2-CH2 3.63Å; L185-W193 HydrophobicContact CD2-CZ2 4.13Å; L185-W193 HydrophobicContact CD2-CZ3 4.25Å
186P81.6Confident77.7Confident28 Ų2854.7 Ų54.718%0.18230%0.297CS..PPolyproline II helixtrans-57.4144.7173.4-21.931.5000112F87 H91 G188 T189F87-P186 HydrophobicContact CZ-CG 4.22Å; H91-P186 HydrophobicContact CB-CG 4.38Å; H91-P186 WeakPolarHBondContact ND1-CG 3.44Å; P186-G188 PolarHBondContact O-N 3.4Å; P186-T189 WeakPolarHBondContact CB-OG1 3.4Å; P186-T189 WeakPolarHBondContact CD-OG1 3.37Å; P186-T189 WeakPolarHBondContact O-CB 3.34Å; P186-T189 PolarHBondContact O-N 3.44Å; P186-T189 PolarHBondContact O-OG1 3.3Å
187E80.1Confident79.4Confident181 Ų18151.7 Ų51.785%0.84628%0.278SS*.THydrogen-bonded Turntrans-53.6133.9176.9-167.4176.8-177.200111.3T189E187-T189 VanDerWaalsContact C-N 3.33Å; E187-T189 PolarHBondContact O-N 2.97Å
188G79.3Confident80.9Confident13 Ų1349.3 Ų49.313%0.13426%0.259CS..THydrogen-bonded Turntrans85.7-13.3-176.200000115.7P186 E190 Q191 R192P186-G188 PolarHBondContact O-N 3.4Å; G188-E190 PolarHBondContact O-N 3.39Å; G188-Q191 PolarHBondContact O-N 3.34Å; G188-R192 PolarHBondContact O-N 3.31Å
189T84.8Confident82.1Confident1 Ų146.1 Ų46.11%0.00625%0.245CC..Hα-helixtrans-60.7-44.6-179.1-56.20000112.4F87 L185 P186 E187 Q191 R192 W193F87-T189 HydrophobicContact CZ-CG2 4.02Å; L185-T189 HydrophobicContact CD2-CG2 4.19Å; P186-T189 WeakPolarHBondContact CB-OG1 3.4Å; P186-T189 WeakPolarHBondContact CD-OG1 3.37Å; P186-T189 WeakPolarHBondContact O-CB 3.34Å; P186-T189 PolarHBondContact O-N 3.44Å; P186-T189 PolarHBondContact O-OG1 3.3Å; E187-T189 VanDerWaalsContact C-N 3.33Å; E187-T189 PolarHBondContact O-N 2.97Å; T189-Q191 PolarHBondContact O-N 3.42Å; T189-R192 WeakPolarHBondContact O-CB 3.46Å; T189-R192 PolarHBondContact O-N 3.31Å; T189-W193 HydrophobicContact CG2-CD2 3.94Å; T189-W193 VanDerWaalsContact CG2-CE2 3.44Å; T189-W193 HydrophobicContact CG2-CG 4.31Å; T189-W193 HydrophobicContact CG2-CH2 4.41Å; T189-W193 HydrophobicContact CG2-CZ2 3.72Å; T189-W193 WeakPolarHBondContact O-CB 3.14Å; T189-W193 VanDerWaalsContact O-CG 3.29Å; T189-W193 PolarHBondContact O-N 3.25Å
190E83.2Confident83.5Confident113 Ų11338.6 Ų38.653%0.52821%0.209SC..Hα-helixtrans-63.3-42.4179.7-65.8-172.5157.900112.4L185 G188 W193 Q194L185-E190 HydrophobicContact CD1-CG 4.18Å; G188-E190 PolarHBondContact O-N 3.39Å; E190-W193 PolarHBondContact O-N 2.97Å; E190-Q194 WeakPolarHBondContact O-CB 3.46Å; E190-Q194 PolarHBondContact O-N 3.36Å
191Q83.4Confident84.6Confident108 Ų10836.8 Ų36.851%0.50519%0.194SC..Hα-helixtrans-63.7-43.8177.2-71.3175.5-5.400111.1G188 T189 Q194 M195G188-Q191 PolarHBondContact O-N 3.34Å; T189-Q191 PolarHBondContact O-N 3.42Å; Q191-Q194 PolarHBondContact O-N 2.88Å; Q191-M195 WeakPolarHBondContact O-CG 3.3Å; Q191-M195 PolarHBondContact O-N 3.06Å
192R86Confident85.6Confident2 Ų237.4 Ų37.41%0.00820%0.197CC..Hα-helixtrans-57.4-53.1172.9168.4-175.5-58.1161-6.9111.3L24 G78 G188 T189 Q194 M195 I196L24-R192 HydrophobicContact CB-CB 4.48Å; L24-R192 HydrophobicContact CD1-CB 3.82Å; L24-R192 HydrophobicContact CD1-CG 3.61Å; G78-R192 VanDerWaalsContact CA-NH1 3.33Å; G188-R192 PolarHBondContact O-N 3.31Å; T189-R192 WeakPolarHBondContact O-CB 3.46Å; T189-R192 PolarHBondContact O-N 3.31Å; R192-Q194 PolarHBondContact O-N 2.79Å; R192-M195 PolarHBondContact O-N 2.86Å; R192-I196 HydrophobicContact CG-CD1 3.5Å; R192-I196 VanDerWaalsContact CG-CD1 3.5Å; R192-I196 HydrophobicContact CG-CG1 4.35Å; R192-I196 VanDerWaalsContact O-CG1 3.31Å; R192-I196 WeakPolarHBondContact O-CG1 3.41Å; R192-I196 PolarHBondContact O-N 2.57Å
193W90.7Very high86.8Confident3 Ų336.6 Ų36.61%0.01119%0.191CC..Hα-helixtrans-58.3-41.2-179.7-72.52.5000111.1Y76 F87 L185 T189 E190 T197 L331 L332 T335Y76-W193 HydrophobicContact CD1-CB 4.32Å; Y76-W193 AromaticContact CD1-CD1 3.62Å; Y76-W193 HydrophobicContact CD1-CG 4.01Å; Y76-W193 HydrophobicContact CE1-CB 4.36Å; Y76-W193 HydrophobicContact CE1-CG 4.49Å; Y76-W193 PolarHBondContact O-NE1 3.01Å; F87-W193 HydrophobicContact CE1-CZ2 4.19Å; L185-W193 HydrophobicContact CD1-CH2 4.06Å; L185-W193 HydrophobicContact CD1-CZ3 3.8Å; L185-W193 HydrophobicContact CD2-CH2 3.63Å; L185-W193 HydrophobicContact CD2-CZ2 4.13Å; L185-W193 HydrophobicContact CD2-CZ3 4.25Å; T189-W193 HydrophobicContact CG2-CD2 3.94Å; T189-W193 VanDerWaalsContact CG2-CE2 3.44Å; T189-W193 HydrophobicContact CG2-CG 4.31Å; T189-W193 HydrophobicContact CG2-CH2 4.41Å; T189-W193 HydrophobicContact CG2-CZ2 3.72Å; T189-W193 WeakPolarHBondContact O-CB 3.14Å; T189-W193 VanDerWaalsContact O-CG 3.29Å; T189-W193 PolarHBondContact O-N 3.25Å; E190-W193 PolarHBondContact O-N 2.97Å; W193-T197 WeakPolarHBondContact O-CB 3.36Å; W193-T197 PolarHBondContact O-N 3.48Å; W193-T197 PolarHBondContact O-OG1 3.34Å; W193-L331 HydrophobicContact CH2-CB 3.98Å; W193-L331 HydrophobicContact CH2-CD1 4.43Å; W193-L331 HydrophobicContact CZ3-CB 3.82Å; W193-L332 HydrophobicContact CB-CD2 3.89Å; W193-L332 HydrophobicContact CD2-CD2 3.5Å; W193-L332 VanDerWaalsContact CD2-CD2 3.5Å; W193-L332 HydrophobicContact CE3-CD2 3.58Å; W193-L332 HydrophobicContact CE3-CG 4.41Å; W193-L332 HydrophobicContact CG-CD2 3.68Å; W193-L332 HydrophobicContact CZ3-CD2 4.26Å; W193-T335 HydrophobicContact CB-CG2 4.21Å
194Q88.1Confident87.7Confident73 Ų7332.1 Ų32.134%0.34116%0.159SC..Hα-helixtrans-61.1-50.7175.6-173.6176.72.700111.8E190 Q191 R192 T197 E198 T335 V339E190-Q194 WeakPolarHBondContact O-CB 3.46Å; E190-Q194 PolarHBondContact O-N 3.36Å; Q191-Q194 PolarHBondContact O-N 2.88Å; R192-Q194 PolarHBondContact O-N 2.79Å; Q194-T197 PolarHBondContact O-N 3.15Å; Q194-E198 VanDerWaalsContact O-CB 3.26Å; Q194-E198 WeakPolarHBondContact O-CB 3.45Å; Q194-E198 PolarHBondContact O-N 3.49Å; Q194-T335 VanDerWaalsContact CA-CG2 3.43Å; Q194-T335 HydrophobicContact CB-CG2 4.05Å; Q194-V339 HydrophobicContact CG-CG2 4.06Å
195M87.9Confident88Confident7 Ų728.1 Ų28.13%0.03414%0.139CC..Hα-helixtrans-61.9-46.1-179.8-71.6174.366.200112.4L24 D25 F29 L32 Q191 R192 E198 C199L24-M195 HydrophobicContact CB-CE 4.36Å; L24-M195 HydrophobicContact CB-SD 3.82Å; L24-M195 HydrophobicContact CD2-CE 4.18Å; D25-M195 WeakPolarHBondContact O-CE 3.33Å; F29-M195 HydrophobicContact CB-CE 4.02Å; F29-M195 HydrophobicContact CD2-CB 4.37Å; F29-M195 HydrophobicContact CD2-CE 4.49Å; F29-M195 HydrophobicContact CD2-CG 4.33Å; L32-M195 HydrophobicContact CD2-CB 3.99Å; L32-M195 HydrophobicContact CD2-CE 4.16Å; Q191-M195 WeakPolarHBondContact O-CG 3.3Å; Q191-M195 PolarHBondContact O-N 3.06Å; R192-M195 PolarHBondContact O-N 2.86Å; M195-E198 PolarHBondContact O-N 2.88Å; M195-C199 PolarHBondContact O-N 3.3Å; M195-C199 PolarHBondContact O-SG 2.85Å
196I90.8Very high88.4Confident0 Ų029.8 Ų29.80%015%0.148CC..Hα-helixtrans-62.8-47178.8-63.4162.8000110.2L32 L75 Y76 R192 E198 C199 L200L32-I196 HydrophobicContact CD2-CG1 4.34Å; L75-I196 HydrophobicContact CB-CD1 4.37Å; L75-I196 HydrophobicContact CD2-CD1 4.21Å; L75-I196 HydrophobicContact CD2-CG1 4Å; L75-I196 HydrophobicContact CD2-CG2 4.11Å; L75-I196 HydrophobicContact CG-CD1 3.7Å; L75-I196 HydrophobicContact CG-CG1 4.02Å; L75-I196 WeakPolarHBondContact O-CD1 3.26Å; Y76-I196 HydrophobicContact CD1-CB 4.44Å; Y76-I196 HydrophobicContact CD1-CD1 4.19Å; Y76-I196 HydrophobicContact CD1-CG2 4.36Å; Y76-I196 HydrophobicContact CD2-CG2 4.09Å; Y76-I196 HydrophobicContact CE1-CB 4.05Å; Y76-I196 HydrophobicContact CE1-CG2 3.95Å; Y76-I196 HydrophobicContact CE2-CG2 3.65Å; Y76-I196 HydrophobicContact CG-CD1 4.32Å; Y76-I196 HydrophobicContact CG-CG2 4.42Å; R192-I196 HydrophobicContact CG-CD1 3.5Å; R192-I196 VanDerWaalsContact CG-CD1 3.5Å; R192-I196 HydrophobicContact CG-CG1 4.35Å; R192-I196 VanDerWaalsContact O-CG1 3.31Å; R192-I196 WeakPolarHBondContact O-CG1 3.41Å; R192-I196 PolarHBondContact O-N 2.57Å; I196-E198 VanDerWaalsContact C-N 3.3Å; I196-E198 PolarHBondContact O-N 3.25Å; I196-C199 PolarHBondContact O-N 3.44Å; I196-L200 HydrophobicContact CG2-CD1 4.04Å; I196-L200 HydrophobicContact CG2-CG 4.28Å; I196-L200 WeakPolarHBondContact O-CG 3.29Å; I196-L200 PolarHBondContact O-N 2.96Å
197T92.5Very high88.9Confident0 Ų028.4 Ų28.40%014%0.139CC..Hα-helixtrans-60.2-42.5178.9-57.80000111.3Y76 W193 Q194 L200 L201 F336 V339Y76-T197 WeakPolarHBondContact CE1-OG1 3.33Å; Y76-T197 WeakPolarHBondContact OH-CA 3.34Å; Y76-T197 PolarHBondContact OH-OG1 2.88Å; W193-T197 WeakPolarHBondContact O-CB 3.36Å; W193-T197 PolarHBondContact O-N 3.48Å; W193-T197 PolarHBondContact O-OG1 3.34Å; Q194-T197 PolarHBondContact O-N 3.15Å; T197-L200 PolarHBondContact O-N 3.18Å; T197-L201 HydrophobicContact CG2-CD1 3.88Å; T197-L201 HydrophobicContact CG2-CG 4.38Å; T197-L201 WeakPolarHBondContact O-CB 3.45Å; T197-L201 VanDerWaalsContact O-CG 3.29Å; T197-L201 WeakPolarHBondContact O-CG 3.36Å; T197-L201 PolarHBondContact O-N 3.27Å; T197-F336 HydrophobicContact CG2-CB 4.42Å; T197-F336 HydrophobicContact CG2-CD1 3.56Å; T197-F336 HydrophobicContact CG2-CD2 3.82Å; T197-F336 HydrophobicContact CG2-CE1 3.59Å; T197-F336 HydrophobicContact CG2-CE2 3.86Å; T197-F336 HydrophobicContact CG2-CG 3.68Å; T197-F336 HydrophobicContact CG2-CZ 3.74Å; T197-V339 HydrophobicContact CG2-CB 4.29Å; T197-V339 HydrophobicContact CG2-CG2 4.13Å
198E90.8Very high89.5Confident13 Ų1319.9 Ų19.96%0.06110%0.099CC..Hα-helixtrans-62.5-45.8174.8-172173.5171.200111.5F29 Q194 M195 I196 L200 L201 I202 V339 Y343F29-E198 HydrophobicContact CE2-CB 3.87Å; F29-E198 HydrophobicContact CE2-CG 3.66Å; F29-E198 HydrophobicContact CZ-CB 4.38Å; F29-E198 HydrophobicContact CZ-CG 3.77Å; Q194-E198 VanDerWaalsContact O-CB 3.26Å; Q194-E198 WeakPolarHBondContact O-CB 3.45Å; Q194-E198 PolarHBondContact O-N 3.49Å; M195-E198 PolarHBondContact O-N 2.88Å; I196-E198 VanDerWaalsContact C-N 3.3Å; I196-E198 PolarHBondContact O-N 3.25Å; E198-L200 PolarHBondContact O-N 2.71Å; E198-L201 PolarHBondContact O-N 3.49Å; E198-I202 HydrophobicContact CG-CD1 3.68Å; E198-I202 VanDerWaalsContact O-CB 3.3Å; E198-I202 WeakPolarHBondContact O-CB 3.36Å; E198-I202 VanDerWaalsContact O-CD1 3.31Å; E198-I202 WeakPolarHBondContact O-CD1 3.35Å; E198-I202 WeakPolarHBondContact O-CG1 3.26Å; E198-I202 PolarHBondContact O-N 2.9Å; E198-V339 HydrophobicContact CB-CG1 3.94Å; E198-V339 HydrophobicContact CB-CG2 4.24Å; E198-V339 HydrophobicContact CG-CG1 4.25Å; E198-Y343 HydrophobicContact CG-CD2 3.96Å; E198-Y343 HydrophobicContact CG-CE2 4.21Å; E198-Y343 WeakPolarHBondContact OE1-CD2 3.48Å; E198-Y343 WeakPolarHBondContact OE1-CE2 3.46Å
199C91.4Very high90Very high0 Ų020.7 Ų20.70%010%0.101CC..Hα-helixtrans-59.3-46.4174.7-670000112.9F29 Y33 I36 M195 I196 Y203F29-C199 VanDerWaalsContact CE2-SG 3.51Å; Y33-C199 HydrophobicContact CD2-CB 4.04Å; I36-C199 HydrophobicContact CD1-CB 3.67Å; M195-C199 PolarHBondContact O-N 3.3Å; M195-C199 PolarHBondContact O-SG 2.85Å; I196-C199 PolarHBondContact O-N 3.44Å; C199-Y203 WeakPolarHBondContact O-CB 3.29Å; C199-Y203 PolarHBondContact O-N 2.98Å
200L93.9Very high90.2Very high1 Ų122.6 Ų22.61%0.00511%0.114CC..Hα-helixtrans-65-45.9-179.1-68.1177.4000111.5I72 Y76 I196 T197 E198 Y203 I204 L317I72-L200 HydrophobicContact CD1-CD2 4.16Å; I72-L200 HydrophobicContact CG2-CD1 3.84Å; Y76-L200 HydrophobicContact CE2-CD1 3.94Å; I196-L200 HydrophobicContact CG2-CD1 4.04Å; I196-L200 HydrophobicContact CG2-CG 4.28Å; I196-L200 WeakPolarHBondContact O-CG 3.29Å; I196-L200 PolarHBondContact O-N 2.96Å; T197-L200 PolarHBondContact O-N 3.18Å; E198-L200 PolarHBondContact O-N 2.71Å; L200-Y203 WeakPolarHBondContact O-CB 3.37Å; L200-Y203 PolarHBondContact O-N 3.17Å; L200-I204 VanDerWaalsContact O-CG1 3.27Å; L200-I204 WeakPolarHBondContact O-CG1 3.42Å; L200-I204 PolarHBondContact O-N 3.28Å; L200-L317 HydrophobicContact CD2-CD2 4.27Å
201L92.8Very high90.4Very high3 Ų323.1 Ų23.12%0.01613%0.125CC..Hα-helixtrans-70.6-34-179-68.8177.3000112.3T197 E198 I204 S205 F336 V339 L340 L355 L377T197-L201 HydrophobicContact CG2-CD1 3.88Å; T197-L201 HydrophobicContact CG2-CG 4.38Å; T197-L201 WeakPolarHBondContact O-CB 3.45Å; T197-L201 VanDerWaalsContact O-CG 3.29Å; T197-L201 WeakPolarHBondContact O-CG 3.36Å; T197-L201 PolarHBondContact O-N 3.27Å; E198-L201 PolarHBondContact O-N 3.49Å; L201-I204 HydrophobicContact CD2-CD1 4.3Å; L201-I204 PolarHBondContact O-N 2.98Å; L201-S205 WeakPolarHBondContact O-CB 3.44Å; L201-S205 PolarHBondContact O-N 3.18Å; L201-F336 HydrophobicContact CD1-CD1 4.02Å; L201-F336 HydrophobicContact CD1-CE1 4.33Å; L201-F336 HydrophobicContact CD2-CD1 4.43Å; L201-F336 HydrophobicContact CD2-CE1 4.24Å; L201-F336 HydrophobicContact CG-CD1 4.47Å; L201-F336 HydrophobicContact CG-CE1 4.31Å; L201-V339 HydrophobicContact CD1-CB 4.27Å; L201-V339 HydrophobicContact CD1-CG1 3.74Å; L201-L340 HydrophobicContact CD1-CD2 4.01Å; L201-L340 HydrophobicContact CD1-CG 3.95Å; L201-L355 HydrophobicContact CB-CD2 3.41Å; L201-L355 VanDerWaalsContact CB-CD2 3.41Å; L201-L355 HydrophobicContact CD1-CD2 4.22Å; L201-L355 HydrophobicContact CG-CD2 4.37Å; L201-L377 HydrophobicContact CD2-CD2 3.95Å
202I90.4Very high90.6Very high12 Ų1221.4 Ų21.46%0.06213%0.125CC..Hα-helixtrans-67.3-41.4170.9-71.2162.9000111F29 Y33 E198 I204 S205 N206 Y343F29-I202 HydrophobicContact CE1-CD1 4.33Å; F29-I202 HydrophobicContact CZ-CD1 3.71Å; Y33-I202 HydrophobicContact CD2-CG2 4.45Å; Y33-I202 HydrophobicContact CE2-CB 4.21Å; Y33-I202 HydrophobicContact CE2-CG2 3.71Å; E198-I202 HydrophobicContact CG-CD1 3.68Å; E198-I202 VanDerWaalsContact O-CB 3.3Å; E198-I202 WeakPolarHBondContact O-CB 3.36Å; E198-I202 VanDerWaalsContact O-CD1 3.31Å; E198-I202 WeakPolarHBondContact O-CD1 3.35Å; E198-I202 WeakPolarHBondContact O-CG1 3.26Å; E198-I202 PolarHBondContact O-N 2.9Å; I202-I204 VanDerWaalsContact C-N 3.35Å; I202-I204 PolarHBondContact O-N 3.14Å; I202-S205 PolarHBondContact O-N 2.92Å; I202-N206 VanDerWaalsContact CG2-ND2 3.26Å; I202-N206 WeakPolarHBondContact CG2-ND2 3.46Å; I202-N206 VanDerWaalsContact O-CB 3.24Å; I202-N206 WeakPolarHBondContact O-CB 3.48Å; I202-N206 PolarHBondContact O-N 3.49Å; I202-N206 PolarHBondContact O-ND2 3.2Å; I202-Y343 HydrophobicContact CD1-CD2 4.34Å; I202-Y343 HydrophobicContact CD1-CE1 3.89Å; I202-Y343 HydrophobicContact CD1-CE2 3.63Å; I202-Y343 WeakPolarHBondContact CD1-OH 3.48Å; I202-Y343 HydrophobicContact CG1-CD1 4.4Å; I202-Y343 HydrophobicContact CG1-CE1 3.81Å; I202-Y343 HydrophobicContact CG1-CE2 4.42Å
203Y93.7Very high90.8Very high0 Ų021.9 Ų21.90%013%0.128CC..Hα-helixtrans-56.8-50.1173.6165.6-87.9000110.5L40 C199 L200 S205 N206 V207 L217 H310 F313 A314 L317L40-Y203 HydrophobicContact CB-CE2 4.39Å; L40-Y203 HydrophobicContact CD1-CD1 4.24Å; L40-Y203 HydrophobicContact CD1-CD2 3.75Å; L40-Y203 HydrophobicContact CD1-CE1 4.22Å; L40-Y203 HydrophobicContact CD1-CE2 3.67Å; L40-Y203 HydrophobicContact CD1-CG 4.05Å; C199-Y203 WeakPolarHBondContact O-CB 3.29Å; C199-Y203 PolarHBondContact O-N 2.98Å; L200-Y203 WeakPolarHBondContact O-CB 3.37Å; L200-Y203 PolarHBondContact O-N 3.17Å; Y203-S205 PolarHBondContact O-N 2.93Å; Y203-N206 PolarHBondContact O-N 3.34Å; Y203-V207 HydrophobicContact CD2-CG2 4.14Å; Y203-V207 HydrophobicContact CE1-CG2 4.27Å; Y203-V207 HydrophobicContact CE2-CG2 3.73Å; Y203-V207 WeakPolarHBondContact O-CB 3.37Å; Y203-V207 VanDerWaalsContact O-CG2 3.32Å; Y203-V207 WeakPolarHBondContact O-CG2 3.47Å; Y203-V207 PolarHBondContact O-N 3.16Å; Y203-L217 HydrophobicContact CD2-CD1 4.01Å; Y203-L217 HydrophobicContact CD2-CD2 4.13Å; Y203-L217 HydrophobicContact CE2-CD1 3.52Å; Y203-L217 HydrophobicContact CE2-CD2 3.72Å; Y203-L217 HydrophobicContact CE2-CG 4.25Å; Y203-H310 AromaticContact CE2-ND1 3.93Å; Y203-H310 AromaticContact CZ-ND1 3.79Å; Y203-H310 PolarHBondContact OH-ND1 3.19Å; Y203-F313 AromaticContact CE1-CD1 3.71Å; Y203-F313 HydrophobicContact CE1-CD1 3.71Å; Y203-F313 AromaticContact CE1-CE1 3.77Å; Y203-F313 HydrophobicContact CE1-CE1 3.77Å; Y203-F313 AromaticContact CZ-CD1 3.82Å; Y203-F313 WeakPolarHBondContact OH-CD1 3.12Å; Y203-A314 HydrophobicContact CE1-CB 4.17Å; Y203-L317 HydrophobicContact CD1-CD2 4.07Å; Y203-L317 HydrophobicContact CE1-CD2 4.34Å
204I93.7Very high90.7Very high1 Ų122.4 Ų22.41%0.00513%0.132CC..Hα-helixtrans-57.8-52178.1-69166.1000110.3L200 L201 I202 N206 V207 L208 L317 L318 I321L200-I204 VanDerWaalsContact O-CG1 3.27Å; L200-I204 WeakPolarHBondContact O-CG1 3.42Å; L200-I204 PolarHBondContact O-N 3.28Å; L201-I204 HydrophobicContact CD2-CD1 4.3Å; L201-I204 PolarHBondContact O-N 2.98Å; I202-I204 VanDerWaalsContact C-N 3.35Å; I202-I204 PolarHBondContact O-N 3.14Å; I204-N206 PolarHBondContact O-N 2.71Å; I204-V207 PolarHBondContact O-N 2.94Å; I204-L208 HydrophobicContact CG2-CD1 3.66Å; I204-L208 HydrophobicContact CG2-CG 4.29Å; I204-L208 WeakPolarHBondContact O-CB 3.49Å; I204-L208 WeakPolarHBondContact O-CG 3.49Å; I204-L208 PolarHBondContact O-N 2.63Å; I204-L317 HydrophobicContact CD1-CB 4.4Å; I204-L317 HydrophobicContact CD1-CD2 3.8Å; I204-L317 HydrophobicContact CD1-CG 3.9Å; I204-L317 HydrophobicContact CG1-CD2 3.74Å; I204-L317 HydrophobicContact CG1-CG 4.26Å; I204-L318 HydrophobicContact CD1-CD2 3.94Å; I204-L318 HydrophobicContact CD1-CG 4.11Å; I204-L318 HydrophobicContact CG2-CD1 3.89Å; I204-L318 HydrophobicContact CG2-CD2 3.81Å; I204-L318 HydrophobicContact CG2-CG 3.69Å; I204-I321 HydrophobicContact CD1-CD1 3.71Å
205S90.7Very high90.6Very high9 Ų928.1 Ų28.16%0.06316%0.155CC..Hα-helixtrans-61.7-43.5-178.8-174.20000112L201 I202 Y203 L209L201-S205 WeakPolarHBondContact O-CB 3.44Å; L201-S205 PolarHBondContact O-N 3.18Å; I202-S205 PolarHBondContact O-N 2.92Å; Y203-S205 PolarHBondContact O-N 2.93Å; S205-L209 WeakPolarHBondContact O-CB 3.49Å; S205-L209 WeakPolarHBondContact O-CG 3.35Å; S205-L209 PolarHBondContact O-N 3.15Å; S205-L209 WeakPolarHBondContact OG-CD1 3.37Å
206N90.7Very high90.5Very high57 Ų5730.1 Ų30.131%0.30517%0.169SC..Hα-helixtrans-66.8-41.1180-74.9-19.7000111.4Y33 I202 Y203 I204 S210 P214Y33-N206 PolarHBondContact OH-ND2 2.78Å; I202-N206 VanDerWaalsContact CG2-ND2 3.26Å; I202-N206 WeakPolarHBondContact CG2-ND2 3.46Å; I202-N206 VanDerWaalsContact O-CB 3.24Å; I202-N206 WeakPolarHBondContact O-CB 3.48Å; I202-N206 PolarHBondContact O-N 3.49Å; I202-N206 PolarHBondContact O-ND2 3.2Å; Y203-N206 PolarHBondContact O-N 3.34Å; I204-N206 PolarHBondContact O-N 2.71Å; N206-S210 WeakPolarHBondContact O-CB 3.35Å; N206-S210 PolarHBondContact O-N 3.02Å; N206-S210 PolarHBondContact O-OG 3.06Å; N206-P214 HydrophobicContact CB-CB 4.49Å; N206-P214 HydrophobicContact CB-CG 4.07Å
207V92.6Very high90.3Very high0 Ų030.3 Ų30.30%017%0.17CC..Hα-helixtrans-71-46-179.8170.60000111.6Y203 I204 P214 L217 F307 H310 Q311 A314Y203-V207 HydrophobicContact CD2-CG2 4.14Å; Y203-V207 HydrophobicContact CE1-CG2 4.27Å; Y203-V207 HydrophobicContact CE2-CG2 3.73Å; Y203-V207 WeakPolarHBondContact O-CB 3.37Å; Y203-V207 VanDerWaalsContact O-CG2 3.32Å; Y203-V207 WeakPolarHBondContact O-CG2 3.47Å; Y203-V207 PolarHBondContact O-N 3.16Å; I204-V207 PolarHBondContact O-N 2.94Å; V207-P214 HydrophobicContact CG2-CG 4.1Å; V207-L217 HydrophobicContact CG2-CD1 3.52Å; V207-F307 HydrophobicContact CG1-CE2 4.26Å; V207-F307 WeakPolarHBondContact O-CE2 3.29Å; V207-H310 HydrophobicContact CG1-CB 3.96Å; V207-H310 WeakPolarHBondContact CG1-O 3.49Å; V207-Q311 HydrophobicContact CG1-CG 4.15Å; V207-A314 HydrophobicContact CB-CB 4.18Å; V207-A314 HydrophobicContact CG1-CB 3.89Å
208L91.8Very high89.8Confident1 Ų133.8 Ų33.81%0.00519%0.191CC..Hα-helixtrans-74-30.5-176-66-177.3000113.1I204 A314 L318 L366 W367I204-L208 HydrophobicContact CG2-CD1 3.66Å; I204-L208 HydrophobicContact CG2-CG 4.29Å; I204-L208 WeakPolarHBondContact O-CB 3.49Å; I204-L208 WeakPolarHBondContact O-CG 3.49Å; I204-L208 PolarHBondContact O-N 2.63Å; L208-A314 HydrophobicContact CD1-CB 4.47Å; L208-A314 HydrophobicContact CD2-CB 3.82Å; L208-A314 HydrophobicContact CG-CB 3.9Å; L208-L318 HydrophobicContact CD1-CD1 3.63Å; L208-L366 HydrophobicContact CB-CD2 3.77Å; L208-L366 HydrophobicContact CD1-CD2 4.3Å; L208-W367 HydrophobicContact CD2-CH2 3.67Å; L208-W367 HydrophobicContact CD2-CZ2 4.43Å; L208-W367 HydrophobicContact CD2-CZ3 4.28Å
209L90.4Very high88.7Confident31 Ų3135.3 Ų35.316%0.16221%0.206CC..THydrogen-bonded Turntrans-99.93.8-176.5-50.7-175.9000113.8S205 T358 S362 F365 L366S205-L209 WeakPolarHBondContact O-CB 3.49Å; S205-L209 WeakPolarHBondContact O-CG 3.35Å; S205-L209 PolarHBondContact O-N 3.15Å; S205-L209 WeakPolarHBondContact OG-CD1 3.37Å; L209-T358 HydrophobicContact CD1-CG2 3.75Å; L209-S362 VanDerWaalsContact CD2-CB 3.4Å; L209-F365 HydrophobicContact CD2-CB 4.13Å; L209-L366 HydrophobicContact CD2-CD2 3.91Å; L209-L366 HydrophobicContact CD2-CG 4.28Å
210S89.6Confident87.3Confident40 Ų4044.6 Ų44.628%0.2825%0.249SC..  trans-93.7157.6173.9-670000111.9N206 S212 F307N206-S210 WeakPolarHBondContact O-CB 3.35Å; N206-S210 PolarHBondContact O-N 3.02Å; N206-S210 PolarHBondContact O-OG 3.06Å; S210-S212 WeakPolarHBondContact CB-O 3.43Å; S210-F307 WeakPolarHBondContact O-CZ 3.44Å
211T86.5Confident85.3Confident124 Ų12453.6 Ų53.676%0.76129%0.291SS*.SBendtrans-92.6-10.6172.353.50000113.1F365T211-F365 HydrophobicContact CG2-CE1 4.36Å
212S88.6Confident83.5Confident73 Ų7356.5 Ų56.551%0.5131%0.312SS..SBendtrans-146166.3177.260.60000110.3S210 P214S210-S212 WeakPolarHBondContact CB-O 3.43Å; S212-P214 WeakPolarHBondContact O-CD 3.46Å
213L88.7Confident81.9Confident12 Ų1265.2 Ų65.26%0.06335%0.352CS..  trans-57.7122.3-179.6-171.265.3000110.6K215 L217 V218 F307 H310L213-K215 PolarHBondContact O-N 3.03Å; L213-L217 HydrophobicContact CD1-CB 3.78Å; L213-L217 HydrophobicContact CD1-CD1 4.06Å; L213-L217 HydrophobicContact CD2-CB 4.21Å; L213-L217 HydrophobicContact CG-CB 3.85Å; L213-V218 HydrophobicContact CB-CG2 4.45Å; L213-V218 HydrophobicContact CD2-CG2 4.21Å; L213-V218 HydrophobicContact CG-CG2 4.35Å; L213-F307 HydrophobicContact CB-CB 4.12Å; L213-F307 HydrophobicContact CB-CD2 4.18Å; L213-F307 HydrophobicContact CB-CG 4.31Å; L213-F307 HydrophobicContact CD1-CB 4.46Å; L213-F307 HydrophobicContact CD1-CD2 4.02Å; L213-H310 HydrophobicContact CD1-CB 4.02Å; L213-H310 VanDerWaalsContact CD1-CD2 3.48Å; L213-H310 WeakPolarHBondContact CD1-CD2 3.32Å
214P89.4Confident80.8Confident14 Ų1473.5 Ų73.59%0.09138%0.384CS..  trans-53.3138177.6-29.334.9000112.2N206 V207 S212 P216 L217N206-P214 HydrophobicContact CB-CB 4.49Å; N206-P214 HydrophobicContact CB-CG 4.07Å; V207-P214 HydrophobicContact CG2-CG 4.1Å; S212-P214 WeakPolarHBondContact O-CD 3.46Å; P214-P216 VanDerWaalsContact C-N 3.3Å; P214-P216 WeakPolarHBondContact O-CD 3.33Å; P214-L217 HydrophobicContact CB-CD1 4.23Å; P214-L217 HydrophobicContact CG-CD1 4.18Å; P214-L217 WeakPolarHBondContact O-CB 3.36Å; P214-L217 PolarHBondContact O-N 2.83Å
215K86.2Confident80.4Confident192 Ų19274.9 Ų74.984%0.83540%0.398SS*.G310 helixtrans-46.3-41.2-175.5-64.5-179.1179.81790115.3L213 L217 V218L213-K215 PolarHBondContact O-N 3.03Å; K215-L217 PolarHBondContact O-N 2.92Å; K215-V218 PolarHBondContact O-N 3.37Å
216P84.9Confident80.4Confident50 Ų5075.8 Ų75.833%0.32540%0.4SS..G310 helixtrans-63.8-17.4178.1-24.336.5000115.2Y33 L34 C37 P214Y33-P216 HydrophobicContact CE1-CB 4.48Å; Y33-P216 HydrophobicContact CE1-CG 4.13Å; L34-P216 HydrophobicContact CD2-CB 4Å; L34-P216 HydrophobicContact CD2-CG 4.3Å; C37-P216 HydrophobicContact CB-CB 3.84Å; P214-P216 VanDerWaalsContact C-N 3.3Å; P214-P216 WeakPolarHBondContact O-CD 3.33Å
217L87.7Confident80.4Confident3 Ų373.1 Ų73.12%0.01639%0.386CS..G310 helixtrans-100.5-8.9-176.8-61.7168.9000112.9C37 L40 S41 Y203 V207 L213 P214 K215 A219C37-L217 HydrophobicContact CB-CD2 3.71Å; C37-L217 HydrophobicContact CB-CG 4.44Å; C37-L217 WeakPolarHBondContact O-CD2 3.34Å; L40-L217 HydrophobicContact CB-CD2 4.46Å; S41-L217 VanDerWaalsContact CB-O 3.22Å; S41-L217 WeakPolarHBondContact CB-O 3.22Å; Y203-L217 HydrophobicContact CD2-CD1 4.01Å; Y203-L217 HydrophobicContact CD2-CD2 4.13Å; Y203-L217 HydrophobicContact CE2-CD1 3.52Å; Y203-L217 HydrophobicContact CE2-CD2 3.72Å; Y203-L217 HydrophobicContact CE2-CG 4.25Å; V207-L217 HydrophobicContact CG2-CD1 3.52Å; L213-L217 HydrophobicContact CD1-CB 3.78Å; L213-L217 HydrophobicContact CD1-CD1 4.06Å; L213-L217 HydrophobicContact CD2-CB 4.21Å; L213-L217 HydrophobicContact CG-CB 3.85Å; P214-L217 HydrophobicContact CB-CD1 4.23Å; P214-L217 HydrophobicContact CG-CD1 4.18Å; P214-L217 WeakPolarHBondContact O-CB 3.36Å; P214-L217 PolarHBondContact O-N 2.83Å; K215-L217 PolarHBondContact O-N 2.92Å; L217-A219 PolarHBondContact O-N 3.3Å; L217-A219 VanDerWaalsContact O-N 3.07Å
218V81.8Confident80.4Confident73 Ų7373.1 Ų73.144%0.44239%0.386SS..  trans-70.1106.6179.5-178.50000109.3L213 K215L213-V218 HydrophobicContact CB-CG2 4.45Å; L213-V218 HydrophobicContact CD2-CG2 4.21Å; L213-V218 HydrophobicContact CG-CG2 4.35Å; K215-V218 PolarHBondContact O-N 3.37Å
219A68.2Low80.5Confident46 Ų4673.1 Ų73.138%0.3839%0.386SS..  trans-71.7140.8172.400000110.7L217 Q221L217-A219 PolarHBondContact O-N 3.3Å; L217-A219 VanDerWaalsContact O-N 3.07Å; A219-Q221 VanDerWaalsContact C-N 3.29Å; A219-Q221 PolarHBondContact O-N 3.37Å
220Q60.4Low80.5Confident194 Ų19471.7 Ų71.791%0.90738%0.379SS*.SBendtrans-72.9-15.6-177.6-70.3-173-9.500114.1
221Q53.2Low80.6Confident190 Ų19070.9 Ų70.989%0.88837%0.37SS*.SBendtrans-143.654.4-167-65.6-170.4-15.400114.3A219A219-Q221 VanDerWaalsContact C-N 3.29Å; A219-Q221 PolarHBondContact O-N 3.37Å
222S54Low80.6Confident64 Ų6465.9 Ų65.945%0.44834%0.339SS..  trans-118.9139.116860.20000111.3R224S222-R224 PolarHBondContact O-N 3.27Å
223E57.9Low80Confident195 Ų19563 Ų6391%0.91132%0.318SS*.  trans-56.3125.9167.8-71.4-177163.500109.4G225E223-G225 PolarHBondContact O-N 2.89Å; E223-G225 VanDerWaalsContact O-N 3.1Å
224R69.3Low79.4Confident175 Ų17566.1 Ų66.166%0.6633%0.332SS*.  trans-84.183.7-175.3-71.4-174.7176.6179-0.6110.5S222 F226S222-R224 PolarHBondContact O-N 3.27Å; R224-F226 HydrophobicContact CB-CE2 4.11Å; R224-F226 WeakPolarHBondContact O-CD2 3.5Å; R224-F226 WeakPolarHBondContact O-CE2 3.5Å
225G85.4Confident78.5Confident29 Ų2970.2 Ų70.230%0.29935%0.353SS..  trans-73.8146.8165.100000111.5E223 S305E223-G225 PolarHBondContact O-N 2.89Å; E223-G225 VanDerWaalsContact O-N 3.1Å; G225-S305 VanDerWaalsContact O-CB 3.29Å; G225-S305 WeakPolarHBondContact O-CB 3.43Å; G225-S305 PolarHBondContact O-N 3.4Å; G225-S305 PolarHBondContact O-OG 2.86Å
226F90.6Very high78.1Confident28 Ų2862.2 Ų62.212%0.12332%0.318CS..EExtended strand (participates in β ladder)trans-118.6154.6175.4-70.3-96.3000110.9R224 C273 G274 Q276 C279 T302 I303 E304R224-F226 HydrophobicContact CB-CE2 4.11Å; R224-F226 WeakPolarHBondContact O-CD2 3.5Å; R224-F226 WeakPolarHBondContact O-CE2 3.5Å; F226-C273 WeakPolarHBondContact O-CA 3.48Å; F226-G274 WeakPolarHBondContact CA-O 3.48Å; F226-G274 PolarHBondContact N-O 3.47Å; F226-G274 PolarHBondContact O-N 2.97Å; F226-G274 VanDerWaalsContact O-O 3.12Å; F226-Q276 HydrophobicContact CD1-CB 4.31Å; F226-Q276 HydrophobicContact CD1-CG 4.03Å; F226-Q276 HydrophobicContact CD2-CB 3.62Å; F226-Q276 HydrophobicContact CD2-CG 4.23Å; F226-Q276 HydrophobicContact CE1-CB 4.27Å; F226-Q276 HydrophobicContact CE1-CG 3.85Å; F226-Q276 HydrophobicContact CE2-CB 3.59Å; F226-Q276 HydrophobicContact CE2-CG 4.08Å; F226-Q276 HydrophobicContact CG-CB 3.99Å; F226-Q276 HydrophobicContact CG-CG 4.2Å; F226-Q276 HydrophobicContact CZ-CB 3.92Å; F226-Q276 HydrophobicContact CZ-CG 3.87Å; F226-C279 VanDerWaalsContact C-SG 3.56Å; F226-C279 HydrophobicContact CB-CB 4.28Å; F226-C279 PolarHBondContact O-SG 3.41Å; F226-C279 VanDerWaalsContact O-SG 3.36Å; F226-T302 HydrophobicContact CB-CG2 4.09Å; F226-T302 HydrophobicContact CD1-CG2 3.91Å; F226-T302 HydrophobicContact CG-CG2 4.33Å; F226-I303 CarbonylContact C-O 3.59Å; F226-I303 WeakPolarHBondContact CA-O 3.31Å; F226-E304 HydrophobicContact CE1-CB 4.47Å
227Q91.5Very high77.6Confident2 Ų263.1 Ų63.11%0.00933%0.326CS..EExtended strand (participates in β ladder)trans-125.4136.4177.1-65.2-174.826.800109.9A50 V229 T270 Y272 T302 I303 S305 V308A50-Q227 VanDerWaalsContact CB-NE2 3.34Å; Q227-V229 HydrophobicContact CB-CG2 4.19Å; Q227-T270 HydrophobicContact CB-CG2 3.86Å; Q227-T270 HydrophobicContact CG-CG2 4.05Å; Q227-T270 PolarHBondContact OE1-OG1 3.28Å; Q227-Y272 CarbonylContact C-O 3.5Å; Q227-Y272 WeakPolarHBondContact CA-O 3.32Å; Q227-T302 WeakPolarHBondContact O-CA 3.33Å; Q227-I303 PolarHBondContact N-O 3.41Å; Q227-I303 PolarHBondContact O-N 3.3Å; Q227-S305 WeakPolarHBondContact CG-OG 3.06Å; Q227-S305 PolarHBondContact NE2-OG 2.89Å; Q227-V308 HydrophobicContact CB-CG2 4.34Å
228C92.7Very high77Confident0 Ų069 Ų690%035%0.348CS..EExtended strand (participates in β ladder)trans-88.1112168.5-159.50000108.1T270 I271 Y272 C279 I282 V300C228-T270 WeakPolarHBondContact O-CA 3.35Å; C228-I271 HydrophobicContact CB-CG1 4.08Å; C228-I271 WeakPolarHBondContact O-CG1 3.27Å; C228-I271 PolarHBondContact O-N 2.89Å; C228-Y272 PolarHBondContact N-O 3.34Å; C228-C279 HydrophobicContact CB-CB 4.46Å; C228-I282 HydrophobicContact CB-CG2 4.46Å; C228-V300 WeakPolarHBondContact SG-CG1 3.38Å
229V92.5Very high76.7Confident1 Ų171 Ų711%0.00635%0.353CS..EExtended strand (participates in β ladder)trans-112117.9-175.1-1750000109.2Q227 F231 R268 A269 V300 K301 I303 V308Q227-V229 HydrophobicContact CB-CG2 4.19Å; V229-F231 HydrophobicContact CB-CE2 3.87Å; V229-F231 HydrophobicContact CB-CZ 4.4Å; V229-F231 HydrophobicContact CG1-CD2 4.2Å; V229-F231 HydrophobicContact CG1-CE2 3.58Å; V229-F231 HydrophobicContact CG1-CZ 3.82Å; V229-F231 WeakPolarHBondContact O-CD2 3.43Å; V229-R268 HydrophobicContact CG1-CB 4.01Å; V229-R268 HydrophobicContact CG1-CG 4.42Å; V229-A269 WeakPolarHBondContact CA-O 3Å; V229-V300 WeakPolarHBondContact O-CA 3.33Å; V229-K301 PolarHBondContact N-O 3.36Å; V229-K301 PolarHBondContact O-N 3.33Å; V229-I303 HydrophobicContact CB-CD1 4.1Å; V229-I303 HydrophobicContact CG2-CB 4.5Å; V229-I303 HydrophobicContact CG2-CD1 3.99Å; V229-I303 HydrophobicContact CG2-CG1 4.29Å; V229-V308 HydrophobicContact CG2-CG2 4.3Å
230L92.3Very high77.2Confident1 Ų169.5 Ų69.51%0.00534%0.34CS..EExtended strand (participates in β ladder)trans-86.4129.2172.9174.463.4000109V241 V245 V263 R268 A269 I271 L298 V300L230-V241 HydrophobicContact CD2-CG1 3.86Å; L230-V245 HydrophobicContact CD2-CG2 4Å; L230-V263 HydrophobicContact CB-CG2 4.34Å; L230-V263 HydrophobicContact CD2-CG2 3.9Å; L230-V263 HydrophobicContact CG-CG2 3.97Å; L230-R268 CarbonylContact O-C 3.6Å; L230-R268 WeakPolarHBondContact O-CA 3.35Å; L230-R268 WeakPolarHBondContact O-CB 3.03Å; L230-A269 PolarHBondContact N-O 3.46Å; L230-A269 PolarHBondContact O-N 3.15Å; L230-I271 HydrophobicContact CB-CD1 4.4Å; L230-I271 HydrophobicContact CB-CG2 3.93Å; L230-I271 HydrophobicContact CD2-CG2 4.3Å; L230-L298 HydrophobicContact CD1-CB 4.26Å; L230-L298 HydrophobicContact CD1-CD2 4.48Å; L230-V300 HydrophobicContact CD1-CG2 3.6Å
231F90.2Very high78.4Confident23 Ų2360.9 Ų60.910%0.10130%0.3CS..EExtended strand (participates in β ladder)trans-103.5150.2178.7-70.9-97.9000110.7V229 R268 E299 K301 I303V229-F231 HydrophobicContact CB-CE2 3.87Å; V229-F231 HydrophobicContact CB-CZ 4.4Å; V229-F231 HydrophobicContact CG1-CD2 4.2Å; V229-F231 HydrophobicContact CG1-CE2 3.58Å; V229-F231 HydrophobicContact CG1-CZ 3.82Å; V229-F231 WeakPolarHBondContact O-CD2 3.43Å; F231-R268 HydrophobicContact CD1-CB 3.93Å; F231-R268 HydrophobicContact CE1-CB 4.11Å; F231-R268 HydrophobicContact CG-CB 4.37Å; F231-E299 HydrophobicContact CB-CB 4.15Å; F231-E299 HydrophobicContact CB-CG 4.14Å; F231-E299 HydrophobicContact CD2-CG 4.44Å; F231-E299 PolarHBondContact N-O 3.18Å; F231-K301 HydrophobicContact CD2-CD 4.36Å; F231-K301 HydrophobicContact CE2-CB 3.98Å; F231-K301 HydrophobicContact CE2-CD 3.9Å; F231-K301 HydrophobicContact CE2-CG 4.2Å; F231-K301 HydrophobicContact CZ-CD 4.38Å; F231-I303 HydrophobicContact CE2-CD1 4.19Å; F231-I303 HydrophobicContact CZ-CD1 3.98Å
232N86.5Confident79.8Confident18 Ų1852.7 Ų52.710%0.09626%0.263CS..PPolyproline II helixtrans-79.4124.1174.6-170.712.7000109.4E234 V263 G267 Y412N232-E234 PolarHBondContact ND2-OE1 2.88Å; N232-E234 PolarHBondContact OD1-N 3.18Å; N232-V263 HydrophobicContact CB-CG1 3.56Å; N232-G267 PolarHBondContact N-O 3.37Å; N232-Y412 HydrophobicContact CB-CE1 4.34Å; N232-Y412 PolarHBondContact O-OH 3.28Å
233D77.7Confident81.1Confident13 Ų1356.2 Ų56.27%0.0727%0.267CS..  trans-104.7-4.4173.26225.9000113.3L235 H236 D411D233-L235 WeakPolarHBondContact O-CG 3.2Å; D233-L235 PolarHBondContact O-N 2.98Å; D233-L235 PolarHBondContact OD1-N 3.34Å; D233-H236 VanDerWaalsContact CG-ND1 3.34Å; D233-H236 IonicContact OD1-CG 2.6Å; D233-H236 PolarHBondContact OD1-N 3.4Å; D233-H236 VanDerWaalsContact OD1-N 3.09Å; D233-H236 IonicContact OD1-ND1 3.67Å; D233-H236 PolarHBondContact OD1-ND1 3.39Å; D233-H236 IonicContact OD2-CE1 2.86Å; D233-H236 PolarHBondContact OD2-CE1 3.38Å; D233-H236 VanDerWaalsContact OD2-CE1 3.26Å; D233-H236 IonicContact OD2-CG 3.92Å; D233-H236 IonicContact OD2-ND1 3.32Å; D233-H236 PolarHBondContact OD2-ND1 3.18Å; D233-D411 WeakPolarHBondContact O-CB 3.45Å
234E74.6Confident82.5Confident77 Ų7746.9 Ų46.936%0.3622%0.223SC..SBendtrans52.710.1-176.5-57.4-85.817400114.7N232 K368 D411 Y412N232-E234 PolarHBondContact ND2-OE1 2.88Å; N232-E234 PolarHBondContact OD1-N 3.18Å; E234-K368 IonicContact OE1-NZ 3.59Å; E234-K368 PolarHBondContact OE1-NZ 3.36Å; E234-D411 WeakPolarHBondContact CB-O 3.43Å; E234-Y412 HydrophobicContact CG-CD1 4.35Å
235L70.9Confident83.4Confident101 Ų10138.6 Ų38.653%0.52919%0.192SC..  trans-103.6-39.8-177.7-69.3172.5000111.3D233D233-L235 WeakPolarHBondContact O-CG 3.2Å; D233-L235 PolarHBondContact O-N 2.98Å; D233-L235 PolarHBondContact OD1-N 3.34Å
236H77.6Confident83.4Confident23 Ų2339.5 Ų39.511%0.10619%0.189CC..SBendtrans-81142-179.8-68.388.8000112.3D233 V241 S294 R296 L298D233-H236 VanDerWaalsContact CG-ND1 3.34Å; D233-H236 IonicContact OD1-CG 2.6Å; D233-H236 PolarHBondContact OD1-N 3.4Å; D233-H236 VanDerWaalsContact OD1-N 3.09Å; D233-H236 IonicContact OD1-ND1 3.67Å; D233-H236 PolarHBondContact OD1-ND1 3.39Å; D233-H236 IonicContact OD2-CE1 2.86Å; D233-H236 PolarHBondContact OD2-CE1 3.38Å; D233-H236 VanDerWaalsContact OD2-CE1 3.26Å; D233-H236 IonicContact OD2-CG 3.92Å; D233-H236 IonicContact OD2-ND1 3.32Å; D233-H236 PolarHBondContact OD2-ND1 3.18Å; H236-V241 HydrophobicContact CB-CG2 3.79Å; H236-S294 WeakPolarHBondContact NE2-CB 3.16Å; H236-S294 PolarHBondContact NE2-OG 3.41Å; H236-R296 PolarHBondContact CE1-O 3.17Å; H236-R296 PolarHBondContact NE2-O 3.45Å; H236-R296 VanDerWaalsContact NE2-O 3.14Å; H236-L298 HydrophobicContact CB-CD2 3.88Å; H236-L298 WeakPolarHBondContact ND1-CD2 3.47Å
237S74.9Confident83Confident69 Ų6941.9 Ų41.948%0.48321%0.209SC..  trans-69.3148.9174.8730000111.4E239 S240 V241S237-E239 PolarHBondContact O-N 3.02Å; S237-E239 VanDerWaalsContact O-N 3.14Å; S237-S240 PolarHBondContact O-N 3.45Å; S237-S240 WeakPolarHBondContact OG-CB 3.28Å; S237-S240 PolarHBondContact OG-N 3.14Å; S237-V241 WeakPolarHBondContact O-CG2 3.41Å; S237-V241 PolarHBondContact O-N 2.95Å; S237-V241 VanDerWaalsContact O-N 3.12Å
238Y75.7Confident82.7Confident126 Ų12642.6 Ų42.649%0.49421%0.214SC..Hα-helixtrans-48.5-43.1175.1-77.8-97.9000112.4V241 I242 V260 D264Y238-V241 PolarHBondContact O-N 3.16Å; Y238-I242 WeakPolarHBondContact O-CB 3.37Å; Y238-I242 WeakPolarHBondContact O-CG1 3.34Å; Y238-I242 PolarHBondContact O-N 2.9Å; Y238-V260 HydrophobicContact CD1-CG1 3.4Å; Y238-V260 VanDerWaalsContact CD1-CG1 3.4Å; Y238-V260 HydrophobicContact CE1-CG1 3.99Å; Y238-V260 HydrophobicContact CG-CG1 4.23Å; Y238-D264 HydrophobicContact CE1-CB 4.18Å; Y238-D264 WeakPolarHBondContact OH-CB 3.44Å; Y238-D264 PolarHBondContact OH-OD1 3.04Å; Y238-D264 PolarHBondContact OH-OD2 3.48Å
239E74.7Confident82.5Confident117 Ų11744.6 Ų44.655%0.54722%0.224SC..Hα-helixtrans-64.7-45.6179.5-64.9-175.816400112.4S237 V241 I242 Y243S237-E239 PolarHBondContact O-N 3.02Å; S237-E239 VanDerWaalsContact O-N 3.14Å; E239-V241 VanDerWaalsContact C-N 3.29Å; E239-V241 PolarHBondContact O-N 3.24Å; E239-I242 PolarHBondContact O-N 3.48Å; E239-Y243 HydrophobicContact CB-CD2 4.47Å; E239-Y243 HydrophobicContact CB-CE2 4.4Å; E239-Y243 WeakPolarHBondContact O-CD2 3.47Å; E239-Y243 PolarHBondContact O-N 3.48Å
240S79.4Confident82Confident13 Ų1352 Ų529%0.09126%0.264CS..Hα-helixtrans-59.7-42.2178.7-175.90000110.9S237 Y243 A244 Q293S237-S240 PolarHBondContact O-N 3.45Å; S237-S240 WeakPolarHBondContact OG-CB 3.28Å; S237-S240 PolarHBondContact OG-N 3.14Å; S240-Y243 PolarHBondContact O-N 2.64Å; S240-A244 WeakPolarHBondContact O-CB 3.48Å; S240-A244 PolarHBondContact O-N 3.11Å; S240-Q293 PolarHBondContact OG-OE1 3.05Å
241V85.6Confident81.4Confident13 Ų1353.2 Ų53.28%0.07927%0.272CS..Hα-helixtrans-68.2-43.1176.8-169.90000111.7L230 H236 S237 Y238 E239 Y243 A244 V245 V260 L298L230-V241 HydrophobicContact CD2-CG1 3.86Å; H236-V241 HydrophobicContact CB-CG2 3.79Å; S237-V241 WeakPolarHBondContact O-CG2 3.41Å; S237-V241 PolarHBondContact O-N 2.95Å; S237-V241 VanDerWaalsContact O-N 3.12Å; Y238-V241 PolarHBondContact O-N 3.16Å; E239-V241 VanDerWaalsContact C-N 3.29Å; E239-V241 PolarHBondContact O-N 3.24Å; V241-Y243 VanDerWaalsContact C-N 3.34Å; V241-Y243 PolarHBondContact O-N 2.84Å; V241-A244 PolarHBondContact O-N 3.14Å; V241-V245 HydrophobicContact CG1-CG2 4.31Å; V241-V245 WeakPolarHBondContact O-CB 3.28Å; V241-V245 VanDerWaalsContact O-CG2 3.31Å; V241-V245 WeakPolarHBondContact O-CG2 3.29Å; V241-V245 PolarHBondContact O-N 3.03Å; V241-V260 HydrophobicContact CB-CG2 3.93Å; V241-V260 HydrophobicContact CG1-CG2 3.63Å; V241-L298 HydrophobicContact CG2-CD2 3.97Å
242I81.6Confident80.6Confident19 Ų1954.9 Ų54.910%0.09729%0.287CS..Hα-helixtrans-55.7-50.3175.4-73.8170.1000110Y238 E239 V245 M246 L253 A256 V260Y238-I242 WeakPolarHBondContact O-CB 3.37Å; Y238-I242 WeakPolarHBondContact O-CG1 3.34Å; Y238-I242 PolarHBondContact O-N 2.9Å; E239-I242 PolarHBondContact O-N 3.48Å; I242-V245 PolarHBondContact O-N 3.33Å; I242-M246 HydrophobicContact CG2-CG 4.19Å; I242-M246 HydrophobicContact CG2-SD 3.69Å; I242-M246 WeakPolarHBondContact O-CB 3.36Å; I242-M246 VanDerWaalsContact O-CG 3.23Å; I242-M246 WeakPolarHBondContact O-CG 3.3Å; I242-M246 PolarHBondContact O-N 3.04Å; I242-L253 HydrophobicContact CG2-CD1 3.47Å; I242-L253 VanDerWaalsContact CG2-CD1 3.47Å; I242-A256 HydrophobicContact CG2-CB 4.15Å; I242-V260 HydrophobicContact CG1-CB 4.22Å; I242-V260 HydrophobicContact CG1-CG1 4.46Å; I242-V260 HydrophobicContact CG1-CG2 3.71Å
243Y82.4Confident80Confident137 Ų13757.6 Ų57.654%0.53730%0.301SS..Hα-helixtrans-66.8-39.5-178.8-75.4-62.6000112.7E239 S240 V241 V245 M246 S247E239-Y243 HydrophobicContact CB-CD2 4.47Å; E239-Y243 HydrophobicContact CB-CE2 4.4Å; E239-Y243 WeakPolarHBondContact O-CD2 3.47Å; E239-Y243 PolarHBondContact O-N 3.48Å; S240-Y243 PolarHBondContact O-N 2.64Å; V241-Y243 VanDerWaalsContact C-N 3.34Å; V241-Y243 PolarHBondContact O-N 2.84Å; Y243-V245 VanDerWaalsContact C-N 3.34Å; Y243-V245 PolarHBondContact O-N 2.9Å; Y243-M246 PolarHBondContact O-N 3.45Å; Y243-S247 WeakPolarHBondContact O-CB 3.4Å; Y243-S247 PolarHBondContact O-N 3.27Å
244A86.8Confident79.5Confident0 Ų060.7 Ų60.70%032%0.324CS..Hα-helixtrans-58.9-47175.400000111.3S240 V241 T248 V286 Y289 L298S240-A244 WeakPolarHBondContact O-CB 3.48Å; S240-A244 PolarHBondContact O-N 3.11Å; V241-A244 PolarHBondContact O-N 3.14Å; A244-T248 VanDerWaalsContact O-CB 3.31Å; A244-T248 WeakPolarHBondContact O-CB 3.22Å; A244-T248 PolarHBondContact O-N 3.48Å; A244-T248 PolarHBondContact O-OG1 2.68Å; A244-V286 HydrophobicContact CB-CG1 4.47Å; A244-Y289 HydrophobicContact CB-CD1 3.56Å; A244-Y289 HydrophobicContact CB-CE1 4.12Å; A244-Y289 HydrophobicContact CB-CG 4.32Å; A244-L298 HydrophobicContact CB-CD1 3.94Å
245V87.7Confident79.5Confident0 Ų058.8 Ų58.80%032%0.317CS..Hα-helixtrans-69.5-44179.9175.50000111.5L230 V241 I242 Y243 T248 L249 A256 Y259L230-V245 HydrophobicContact CD2-CG2 4Å; V241-V245 HydrophobicContact CG1-CG2 4.31Å; V241-V245 WeakPolarHBondContact O-CB 3.28Å; V241-V245 VanDerWaalsContact O-CG2 3.31Å; V241-V245 WeakPolarHBondContact O-CG2 3.29Å; V241-V245 PolarHBondContact O-N 3.03Å; I242-V245 PolarHBondContact O-N 3.33Å; Y243-V245 VanDerWaalsContact C-N 3.34Å; Y243-V245 PolarHBondContact O-N 2.9Å; V245-T248 PolarHBondContact O-N 3.46Å; V245-L249 HydrophobicContact CG1-CD1 3.68Å; V245-L249 HydrophobicContact CG1-CG 4.39Å; V245-L249 WeakPolarHBondContact O-CB 3.11Å; V245-L249 PolarHBondContact O-N 3.45Å; V245-A256 HydrophobicContact CB-CB 4.4Å; V245-A256 HydrophobicContact CG1-CB 4.19Å; V245-Y259 HydrophobicContact CG1-CD2 3.8Å
246M84.9Confident79.9Confident49 Ų4954 Ų5424%0.24129%0.292CS..Hα-helixtrans-60.2-49.8176.5-75.8-176.76800111.8I242 Y243 T248 N250 C251 L253 A256I242-M246 HydrophobicContact CG2-CG 4.19Å; I242-M246 HydrophobicContact CG2-SD 3.69Å; I242-M246 WeakPolarHBondContact O-CB 3.36Å; I242-M246 VanDerWaalsContact O-CG 3.23Å; I242-M246 WeakPolarHBondContact O-CG 3.3Å; I242-M246 PolarHBondContact O-N 3.04Å; Y243-M246 PolarHBondContact O-N 3.45Å; M246-T248 VanDerWaalsContact C-N 3.33Å; M246-T248 PolarHBondContact O-N 3.26Å; M246-N250 WeakPolarHBondContact O-CA 3.29Å; M246-N250 PolarHBondContact O-N 3.01Å; M246-C251 PolarHBondContact O-N 2.6Å; M246-L253 HydrophobicContact CE-CB 3.99Å; M246-L253 HydrophobicContact SD-CB 3.95Å; M246-L253 HydrophobicContact SD-CD1 3.67Å; M246-L253 HydrophobicContact SD-CG 4.44Å; M246-A256 HydrophobicContact CB-CB 4.45Å; M246-A256 HydrophobicContact CG-CB 3.3Å; M246-A256 HydrophobicContact SD-CB 4.28Å
247S83.3Confident79.6Confident78 Ų7854.2 Ų54.255%0.54530%0.295SS..Hα-helixtrans-61.8-42.2-179.1-176.20000111.4Y243Y243-S247 WeakPolarHBondContact O-CB 3.4Å; Y243-S247 PolarHBondContact O-N 3.27Å
248T85.6Confident79.6Confident17 Ų1754.7 Ų54.710%0.10429%0.291CS..Hα-helixtrans-77.6-41.9-175-55.20000113.3A244 V245 M246 I282 R285 V286A244-T248 VanDerWaalsContact O-CB 3.31Å; A244-T248 WeakPolarHBondContact O-CB 3.22Å; A244-T248 PolarHBondContact O-N 3.48Å; A244-T248 PolarHBondContact O-OG1 2.68Å; V245-T248 PolarHBondContact O-N 3.46Å; M246-T248 VanDerWaalsContact C-N 3.33Å; M246-T248 PolarHBondContact O-N 3.26Å; T248-I282 HydrophobicContact CG2-CG2 4.16Å; T248-R285 HydrophobicContact CG2-CB 3.42Å; T248-R285 VanDerWaalsContact CG2-CB 3.42Å; T248-R285 HydrophobicContact CG2-CG 4.41Å; T248-V286 HydrophobicContact CG2-CG2 3.66Å
249L87Confident79.9Confident41 Ų4149 Ų4922%0.21527%0.269CS..Hα-helixtrans-93.4-5.9-176.5-58.6179.2000113.6V245 C251 Y259 I271 I282V245-L249 HydrophobicContact CG1-CD1 3.68Å; V245-L249 HydrophobicContact CG1-CG 4.39Å; V245-L249 WeakPolarHBondContact O-CB 3.11Å; V245-L249 PolarHBondContact O-N 3.45Å; L249-C251 HydrophobicContact CB-CB 4.22Å; L249-C251 PolarHBondContact O-N 3.41Å; L249-Y259 HydrophobicContact CD1-CE2 4.09Å; L249-I271 HydrophobicContact CD1-CB 4.11Å; L249-I271 WeakPolarHBondContact CD1-O 3.23Å; L249-I282 HydrophobicContact CD2-CD1 4.23Å; L249-I282 HydrophobicContact CD2-CG2 3.8Å
250N82.9Confident80.2Confident157 Ų15743.9 Ų43.984%0.8425%0.246SC*.THydrogen-bonded Turntrans51.338.5-172.3-160.729.4000112.5M246M246-N250 WeakPolarHBondContact O-CA 3.29Å; M246-N250 PolarHBondContact O-N 3.01Å
251C79.2Confident80Confident27 Ų2746.6 Ų46.618%0.18226%0.262CS..  trans-98.1161.5-176.871.40000112.1M246 L249 V255M246-C251 PolarHBondContact O-N 2.6Å; L249-C251 HydrophobicContact CB-CB 4.22Å; L249-C251 PolarHBondContact O-N 3.41Å; C251-V255 HydrophobicContact CB-CB 4.23Å; C251-V255 HydrophobicContact CB-CG1 4.03Å
252S74.6Confident79.7Confident58 Ų5848.6 Ų48.641%0.40627%0.268SS..  trans-67.1154.9177.866.70000112.2S254 V255 A256S252-S254 PolarHBondContact O-N 3.32Å; S252-S254 PolarHBondContact OG-OG 3.04Å; S252-V255 PolarHBondContact O-N 3.46Å; S252-V255 WeakPolarHBondContact OG-CG2 3.49Å; S252-V255 PolarHBondContact OG-N 2.99Å; S252-A256 PolarHBondContact O-N 3.04Å
253L73.8Confident79.8Confident75 Ų7548.1 Ų48.139%0.39327%0.266SS..Hα-helixtrans-53.6-37.3174.8176.962.1000112.4I242 M246 T257I242-L253 HydrophobicContact CG2-CD1 3.47Å; I242-L253 VanDerWaalsContact CG2-CD1 3.47Å; M246-L253 HydrophobicContact CE-CB 3.99Å; M246-L253 HydrophobicContact SD-CB 3.95Å; M246-L253 HydrophobicContact SD-CD1 3.67Å; M246-L253 HydrophobicContact SD-CG 4.44Å; L253-T257 VanDerWaalsContact O-CB 3.29Å; L253-T257 WeakPolarHBondContact O-CB 3.21Å; L253-T257 PolarHBondContact O-N 2.75Å; L253-T257 PolarHBondContact O-OG1 3.18Å
254S65.6Low79.7Confident78 Ų7843.8 Ų43.855%0.54525%0.252SS..Hα-helixtrans-62.4-44.517637.30000112.6S252 T257 L258S252-S254 PolarHBondContact O-N 3.32Å; S252-S254 PolarHBondContact OG-OG 3.04Å; S254-T257 PolarHBondContact O-N 2.76Å; S254-L258 WeakPolarHBondContact O-CG 3.39Å; S254-L258 PolarHBondContact O-N 3.08Å
255V75.7Confident78.9Confident37 Ų3751.3 Ų51.322%0.22428%0.28CS..Hα-helixtrans-68.9-44.7-179.9171.90000110.7A55 C251 S252 T257 L258 Y259A55-V255 HydrophobicContact CB-CG1 4.29Å; C251-V255 HydrophobicContact CB-CB 4.23Å; C251-V255 HydrophobicContact CB-CG1 4.03Å; S252-V255 PolarHBondContact O-N 3.46Å; S252-V255 WeakPolarHBondContact OG-CG2 3.49Å; S252-V255 PolarHBondContact OG-N 2.99Å; V255-T257 VanDerWaalsContact C-N 3.32Å; V255-T257 PolarHBondContact O-N 2.69Å; V255-L258 WeakPolarHBondContact O-CB 3.29Å; V255-L258 PolarHBondContact O-N 3.32Å; V255-L258 VanDerWaalsContact O-N 3.15Å; V255-Y259 HydrophobicContact CG1-CD2 4.04Å; V255-Y259 HydrophobicContact CG1-CE2 3.46Å; V255-Y259 VanDerWaalsContact CG1-CE2 3.46Å; V255-Y259 WeakPolarHBondContact O-CD2 3Å; V255-Y259 PolarHBondContact O-N 3.38Å; V255-Y259 VanDerWaalsContact O-N 3.08Å
256A78Confident78.6Confident0 Ų053 Ų530%029%0.289CS..Hα-helixtrans-61.1-39.8175.200000112.7I242 V245 M246 S252 L258 Y259 V260I242-A256 HydrophobicContact CG2-CB 4.15Å; V245-A256 HydrophobicContact CB-CB 4.4Å; V245-A256 HydrophobicContact CG1-CB 4.19Å; M246-A256 HydrophobicContact CB-CB 4.45Å; M246-A256 HydrophobicContact CG-CB 3.3Å; M246-A256 HydrophobicContact SD-CB 4.28Å; S252-A256 PolarHBondContact O-N 3.04Å; A256-L258 VanDerWaalsContact C-N 3.33Å; A256-L258 PolarHBondContact O-N 2.66Å; A256-Y259 PolarHBondContact O-N 2.81Å; A256-V260 VanDerWaalsContact O-CG2 3.25Å; A256-V260 WeakPolarHBondContact O-CG2 3.23Å; A256-V260 PolarHBondContact O-N 3.44Å
257T72Confident78.6Confident28 Ų2850.7 Ų50.717%0.17228%0.278CS..Hα-helixtrans-63.9-38.1175.5-56.20000111.5L253 S254 V255 V260 T261L253-T257 VanDerWaalsContact O-CB 3.29Å; L253-T257 WeakPolarHBondContact O-CB 3.21Å; L253-T257 PolarHBondContact O-N 2.75Å; L253-T257 PolarHBondContact O-OG1 3.18Å; S254-T257 PolarHBondContact O-N 2.76Å; V255-T257 VanDerWaalsContact C-N 3.32Å; V255-T257 PolarHBondContact O-N 2.69Å; T257-V260 PolarHBondContact O-N 2.57Å; T257-T261 WeakPolarHBondContact O-CB 3.45Å; T257-T261 PolarHBondContact O-N 2.89Å; T257-T261 PolarHBondContact O-OG1 2.9Å
258L74.6Confident79Confident78 Ų7847 Ų4741%0.40825%0.252SS..Hα-helixtrans-61.7-44.8174.8-74.7166.9000111.5S254 V255 A256 T261 R262 L1684S254-L258 WeakPolarHBondContact O-CG 3.39Å; S254-L258 PolarHBondContact O-N 3.08Å; V255-L258 WeakPolarHBondContact O-CB 3.29Å; V255-L258 PolarHBondContact O-N 3.32Å; V255-L258 VanDerWaalsContact O-N 3.15Å; A256-L258 VanDerWaalsContact C-N 3.33Å; A256-L258 PolarHBondContact O-N 2.66Å; L258-T261 PolarHBondContact O-N 2.74Å; L258-R262 WeakPolarHBondContact O-CB 3.22Å; L258-R262 PolarHBondContact O-N 3.25Å; L258-L1684 HydrophobicContact CD2-CD2 4Å
259Y83.6Confident79.1Confident8 Ų846.2 Ų46.23%0.03125%0.247CC..Hα-helixtrans-60-49.6175.9-70.7-49.9000111.9P54 A55 V245 L249 V255 A256 T261 R262 V263 T270 I271P54-Y259 HydrophobicContact CB-CE1 3.98Å; P54-Y259 WeakPolarHBondContact CB-OH 3.34Å; A55-Y259 PolarHBondContact N-OH 2.82Å; V245-Y259 HydrophobicContact CG1-CD2 3.8Å; L249-Y259 HydrophobicContact CD1-CE2 4.09Å; V255-Y259 HydrophobicContact CG1-CD2 4.04Å; V255-Y259 HydrophobicContact CG1-CE2 3.46Å; V255-Y259 VanDerWaalsContact CG1-CE2 3.46Å; V255-Y259 WeakPolarHBondContact O-CD2 3Å; V255-Y259 PolarHBondContact O-N 3.38Å; V255-Y259 VanDerWaalsContact O-N 3.08Å; A256-Y259 PolarHBondContact O-N 2.81Å; Y259-T261 VanDerWaalsContact C-N 3.33Å; Y259-T261 PolarHBondContact O-N 3.03Å; Y259-R262 WeakPolarHBondContact O-CA 3.23Å; Y259-R262 WeakPolarHBondContact O-CB 3.48Å; Y259-R262 PolarHBondContact O-N 3.5Å; Y259-V263 WeakPolarHBondContact O-CG2 3.49Å; Y259-V263 PolarHBondContact O-N 2.64Å; Y259-T270 WeakPolarHBondContact CE1-O 3.43Å; Y259-I271 HydrophobicContact CD1-CG2 4.17Å; Y259-I271 HydrophobicContact CG-CG2 4.13Å
260V80.7Confident79.3Confident8 Ų844.8 Ų44.85%0.04824%0.24CC..Hα-helixtrans-62.1-41.9-179174.40000111.3Y238 V241 I242 A256 T257 R262 V263 D264Y238-V260 HydrophobicContact CD1-CG1 3.4Å; Y238-V260 VanDerWaalsContact CD1-CG1 3.4Å; Y238-V260 HydrophobicContact CE1-CG1 3.99Å; Y238-V260 HydrophobicContact CG-CG1 4.23Å; V241-V260 HydrophobicContact CB-CG2 3.93Å; V241-V260 HydrophobicContact CG1-CG2 3.63Å; I242-V260 HydrophobicContact CG1-CB 4.22Å; I242-V260 HydrophobicContact CG1-CG1 4.46Å; I242-V260 HydrophobicContact CG1-CG2 3.71Å; A256-V260 VanDerWaalsContact O-CG2 3.25Å; A256-V260 WeakPolarHBondContact O-CG2 3.23Å; A256-V260 PolarHBondContact O-N 3.44Å; T257-V260 PolarHBondContact O-N 2.57Å; V260-R262 VanDerWaalsContact C-N 3.29Å; V260-R262 PolarHBondContact O-N 2.93Å; V260-V263 PolarHBondContact O-N 3.3Å; V260-D264 PolarHBondContact O-N 3.12Å
261T74.4Confident79.6Confident70 Ų7037.4 Ų37.443%0.42920%0.201SC..Hα-helixtrans-61.9-37.8174.7-540000111.7T257 L258 Y259 R265T257-T261 WeakPolarHBondContact O-CB 3.45Å; T257-T261 PolarHBondContact O-N 2.89Å; T257-T261 PolarHBondContact O-OG1 2.9Å; L258-T261 PolarHBondContact O-N 2.74Å; Y259-T261 VanDerWaalsContact C-N 3.33Å; Y259-T261 PolarHBondContact O-N 3.03Å; T261-R265 WeakPolarHBondContact O-CB 3.23Å; T261-R265 PolarHBondContact O-N 2.67Å; T261-R265 VanDerWaalsContact O-N 3.12Å
262R78.4Confident80.1Confident56 Ų5639.6 Ų39.621%0.21121%0.206CC..Hα-helixtrans-70.2-41.5177.1-171.4177.8-78.2163.2-1.8111.4P54 L258 Y259 V260 R265 I266 A269P54-R262 PolarHBondContact O-NH1 3.35Å; L258-R262 WeakPolarHBondContact O-CB 3.22Å; L258-R262 PolarHBondContact O-N 3.25Å; Y259-R262 WeakPolarHBondContact O-CA 3.23Å; Y259-R262 WeakPolarHBondContact O-CB 3.48Å; Y259-R262 PolarHBondContact O-N 3.5Å; V260-R262 VanDerWaalsContact C-N 3.29Å; V260-R262 PolarHBondContact O-N 2.93Å; R262-R265 PolarHBondContact O-N 2.96Å; R262-I266 HydrophobicContact CG-CD1 3.56Å; R262-I266 HydrophobicContact CG-CG1 4.13Å; R262-I266 WeakPolarHBondContact O-CB 3.45Å; R262-I266 PolarHBondContact O-N 3.17Å; R262-A269 HydrophobicContact CB-CB 4.16Å; R262-A269 HydrophobicContact CG-CB 4.07Å
263V84.4Confident80.8Confident8 Ų838.3 Ų38.35%0.04820%0.196CC..Hα-helixtrans-59.6-47.4174.7172.90000110.8L230 N232 Y259 V260 R265 G267 A269L230-V263 HydrophobicContact CB-CG2 4.34Å; L230-V263 HydrophobicContact CD2-CG2 3.9Å; L230-V263 HydrophobicContact CG-CG2 3.97Å; N232-V263 HydrophobicContact CB-CG1 3.56Å; Y259-V263 WeakPolarHBondContact O-CG2 3.49Å; Y259-V263 PolarHBondContact O-N 2.64Å; V260-V263 PolarHBondContact O-N 3.3Å; V263-R265 PolarHBondContact O-N 2.86Å; V263-G267 CarbonylContact O-C 3.4Å; V263-G267 WeakPolarHBondContact O-CA 3.33Å; V263-G267 PolarHBondContact O-N 2.67Å; V263-A269 HydrophobicContact CG2-CB 3.53Å
264D79.4Confident81.5Confident47 Ų4735.9 Ų35.925%0.25119%0.19SC..Hα-helixtrans-62.4-44.7177.7172.256.9000112.6Y238 V260 K368Y238-D264 HydrophobicContact CE1-CB 4.18Å; Y238-D264 WeakPolarHBondContact OH-CB 3.44Å; Y238-D264 PolarHBondContact OH-OD1 3.04Å; Y238-D264 PolarHBondContact OH-OD2 3.48Å; V260-D264 PolarHBondContact O-N 3.12Å; D264-K368 WeakPolarHBondContact O-CD 3.2Å; D264-K368 WeakPolarHBondContact O-CE 3.27Å; D264-K368 PolarHBondContact O-NZ 3.06Å; D264-K368 IonicContact OD1-NZ 2.66Å; D264-K368 PolarHBondContact OD1-NZ 3Å
265R70.7Confident82.6Confident157 Ų15736.1 Ų36.159%0.59218%0.184SC*.Hα-helixtrans-72.5-49.1-177.1-175.1-179.7-179.3-177.32.3113T261 R262 V263 T369T261-R265 WeakPolarHBondContact O-CB 3.23Å; T261-R265 PolarHBondContact O-N 2.67Å; T261-R265 VanDerWaalsContact O-N 3.12Å; R262-R265 PolarHBondContact O-N 2.96Å; V263-R265 PolarHBondContact O-N 2.86Å; R265-T369 WeakPolarHBondContact O-CG2 3.07Å
266I81.6Confident83.3Confident37 Ų3739.4 Ų39.419%0.1920%0.198CC..Hα-helixtrans-84.8-32.2-174.4-58.6-175.3000110.3R262 R268 W367 K368 T369R262-I266 HydrophobicContact CG-CD1 3.56Å; R262-I266 HydrophobicContact CG-CG1 4.13Å; R262-I266 WeakPolarHBondContact O-CB 3.45Å; R262-I266 PolarHBondContact O-N 3.17Å; I266-R268 HydrophobicContact CG2-CG 4.12Å; I266-W367 VanDerWaalsContact O-CD1 3.22Å; I266-K368 WeakPolarHBondContact O-CB 3.06Å; I266-T369 HydrophobicContact CB-CG2 4.46Å; I266-T369 HydrophobicContact CG2-CG2 4.43Å; I266-T369 PolarHBondContact O-N 3.37Å; I266-T369 PolarHBondContact O-OG1 2.92Å
267G85.8Confident83.9Confident0 Ų042.5 Ų42.50%022%0.223CC..SBendtrans94.7-4.4-166.400000113.1N232 V263 Y412N232-G267 PolarHBondContact N-O 3.37Å; V263-G267 CarbonylContact O-C 3.4Å; V263-G267 WeakPolarHBondContact O-CA 3.33Å; V263-G267 PolarHBondContact O-N 2.67Å; G267-Y412 PolarHBondContact O-OH 2.79Å
268R90.6Very high84.8Confident1 Ų144.8 Ų44.80%0.00423%0.234CC..EExtended strand (participates in β ladder)trans-163.1160.7176.667-177.2-169.3165.58.4112.4V229 L230 F231 I266 W367V229-R268 HydrophobicContact CG1-CB 4.01Å; V229-R268 HydrophobicContact CG1-CG 4.42Å; L230-R268 CarbonylContact O-C 3.6Å; L230-R268 WeakPolarHBondContact O-CA 3.35Å; L230-R268 WeakPolarHBondContact O-CB 3.03Å; F231-R268 HydrophobicContact CD1-CB 3.93Å; F231-R268 HydrophobicContact CE1-CB 4.11Å; F231-R268 HydrophobicContact CG-CB 4.37Å; I266-R268 HydrophobicContact CG2-CG 4.12Å; R268-W367 HydrophobicContact CG-CD2 4.47Å; R268-W367 HydrophobicContact CG-CG 4.16Å; R268-W367 VanDerWaalsContact CZ-CH2 3.47Å; R268-W367 VanDerWaalsContact NH1-CZ3 3.28Å; R268-W367 VanDerWaalsContact NH2-CZ2 3.33Å
269A88.7Confident85.6Confident0 Ų041 Ų410%021%0.214CC..EExtended strand (participates in β ladder)trans-148.7141.3168.200000111.6V229 L230 R262 V263 I271V229-A269 WeakPolarHBondContact CA-O 3Å; L230-A269 PolarHBondContact N-O 3.46Å; L230-A269 PolarHBondContact O-N 3.15Å; R262-A269 HydrophobicContact CB-CB 4.16Å; R262-A269 HydrophobicContact CG-CB 4.07Å; V263-A269 HydrophobicContact CG2-CB 3.53Å; A269-I271 PolarHBondContact O-N 2.77Å
270T89.6Confident86.1Confident10 Ų1042.7 Ų42.76%0.06122%0.224CC..EExtended strand (participates in β ladder)trans-72.3123.5164.2-58.40000108.4P54 Q227 C228 Y259P54-T270 HydrophobicContact CB-CG2 4.2Å; P54-T270 VanDerWaalsContact CB-O 3.3Å; P54-T270 WeakPolarHBondContact CB-O 3.22Å; P54-T270 HydrophobicContact CG-CG2 4.41Å; Q227-T270 HydrophobicContact CB-CG2 3.86Å; Q227-T270 HydrophobicContact CG-CG2 4.05Å; Q227-T270 PolarHBondContact OE1-OG1 3.28Å; C228-T270 WeakPolarHBondContact O-CA 3.35Å; Y259-T270 WeakPolarHBondContact CE1-O 3.43Å
271I89.7Confident86.7Confident3 Ų344 Ų442%0.01524%0.236CC..EExtended strand (participates in β ladder)trans-107.8-16.5-179.361.5166000112.6C228 L230 L249 Y259 A269 I282 V286 V300C228-I271 HydrophobicContact CB-CG1 4.08Å; C228-I271 WeakPolarHBondContact O-CG1 3.27Å; C228-I271 PolarHBondContact O-N 2.89Å; L230-I271 HydrophobicContact CB-CD1 4.4Å; L230-I271 HydrophobicContact CB-CG2 3.93Å; L230-I271 HydrophobicContact CD2-CG2 4.3Å; L249-I271 HydrophobicContact CD1-CB 4.11Å; L249-I271 WeakPolarHBondContact CD1-O 3.23Å; Y259-I271 HydrophobicContact CD1-CG2 4.17Å; Y259-I271 HydrophobicContact CG-CG2 4.13Å; A269-I271 PolarHBondContact O-N 2.77Å; I271-I282 HydrophobicContact CD1-CG2 4.32Å; I271-V286 HydrophobicContact CD1-CG2 3.99Å; I271-V300 HydrophobicContact CD1-CG1 4.5Å
272Y89.8Confident87.5Confident73 Ų7341.4 Ų41.429%0.28622%0.219SC..EExtended strand (participates in β ladder)trans-157.6146177-175.5-97.9000111.3Q227 C228 D278 I282Q227-Y272 CarbonylContact C-O 3.5Å; Q227-Y272 WeakPolarHBondContact CA-O 3.32Å; C228-Y272 PolarHBondContact N-O 3.34Å; Y272-D278 HydrophobicContact CE1-CB 3.89Å; Y272-I282 HydrophobicContact CD1-CD1 3.37Å; Y272-I282 HydrophobicContact CD2-CD1 3.27Å; Y272-I282 HydrophobicContact CE1-CD1 3.59Å; Y272-I282 HydrophobicContact CE2-CD1 3.5Å; Y272-I282 VanDerWaalsContact CE2-CD1 3.5Å; Y272-I282 HydrophobicContact CG-CD1 3.18Å
273C88.7Confident88.2Confident30 Ų3042.2 Ų42.220%0.20322%0.222CC..EExtended strand (participates in β ladder)trans-123.1135.4173.6-62.20000108.9Y51 F226Y51-C273 PolarHBondContact O-SG 3.38Å; F226-C273 WeakPolarHBondContact O-CA 3.48Å
274G89.2Confident88.6Confident25 Ų2546 Ų4626%0.25824%0.242SC..EExtended strand (participates in β ladder)trans178.7-158.5179.700000113.4F226F226-G274 WeakPolarHBondContact CA-O 3.48Å; F226-G274 PolarHBondContact N-O 3.47Å; F226-G274 PolarHBondContact O-N 2.97Å; F226-G274 VanDerWaalsContact O-O 3.12Å
275D89.9Confident89.1Confident82 Ų8251 Ų5144%0.43926%0.257SS..  trans-74.2172.1171.181.417.8000111.7A277 D278 C279D275-A277 VanDerWaalsContact C-N 3.3Å; D275-A277 PolarHBondContact O-N 3.02Å; D275-A277 WeakPolarHBondContact OD1-CA 3.45Å; D275-A277 PolarHBondContact OD1-N 3.46Å; D275-D278 WeakPolarHBondContact OD1-CB 3.31Å; D275-D278 PolarHBondContact OD1-N 3.38Å; D275-C279 WeakPolarHBondContact O-CB 3.46Å; D275-C279 PolarHBondContact O-N 3.48Å; D275-C279 VanDerWaalsContact O-N 3.14Å; D275-C279 PolarHBondContact O-SG 2.81Å
276Q90.4Very high90Very high107 Ų10743.5 Ų43.550%0.523%0.229SC..Hα-helixtrans-65-34.6-177.3-163.6175.1-0.600112.8F226 N280 T302F226-Q276 HydrophobicContact CD1-CB 4.31Å; F226-Q276 HydrophobicContact CD1-CG 4.03Å; F226-Q276 HydrophobicContact CD2-CB 3.62Å; F226-Q276 HydrophobicContact CD2-CG 4.23Å; F226-Q276 HydrophobicContact CE1-CB 4.27Å; F226-Q276 HydrophobicContact CE1-CG 3.85Å; F226-Q276 HydrophobicContact CE2-CB 3.59Å; F226-Q276 HydrophobicContact CE2-CG 4.08Å; F226-Q276 HydrophobicContact CG-CB 3.99Å; F226-Q276 HydrophobicContact CG-CG 4.2Å; F226-Q276 HydrophobicContact CZ-CB 3.92Å; F226-Q276 HydrophobicContact CZ-CG 3.87Å; Q276-N280 WeakPolarHBondContact O-CB 3.41Å; Q276-N280 PolarHBondContact O-N 3.11Å; Q276-N280 VanDerWaalsContact O-N 3.15Å; Q276-N280 PolarHBondContact O-ND2 3.19Å; Q276-N280 VanDerWaalsContact O-ND2 3.08Å; Q276-T302 HydrophobicContact CG-CG2 4.49Å
277A90.2Very high90.2Very high64 Ų6442.8 Ų42.853%0.52923%0.229SC..Hα-helixtrans-72.4-45.5-175.700000110.6D275 N280 A281D275-A277 VanDerWaalsContact C-N 3.3Å; D275-A277 PolarHBondContact O-N 3.02Å; D275-A277 WeakPolarHBondContact OD1-CA 3.45Å; D275-A277 PolarHBondContact OD1-N 3.46Å; A277-N280 PolarHBondContact O-N 2.89Å; A277-A281 PolarHBondContact O-N 3.46Å
278D90.3Very high90.2Very high76 Ų7644.4 Ų44.441%0.40625%0.245SC..Hα-helixtrans-63.7-44.6177.6-70.9-17.4000111.6Y272 D275 N280 A281 I282Y272-D278 HydrophobicContact CE1-CB 3.89Å; D275-D278 WeakPolarHBondContact OD1-CB 3.31Å; D275-D278 PolarHBondContact OD1-N 3.38Å; D278-N280 VanDerWaalsContact C-N 3.32Å; D278-N280 PolarHBondContact O-N 3.44Å; D278-A281 PolarHBondContact O-N 2.84Å; D278-I282 PolarHBondContact O-N 3.33Å
279C91.8Very high89.9Confident0 Ų047.5 Ų47.50%026%0.257CS..Hα-helixtrans-62.3-39.4177-69.60000112.2F226 C228 D275 R283 T302F226-C279 VanDerWaalsContact C-SG 3.56Å; F226-C279 HydrophobicContact CB-CB 4.28Å; F226-C279 PolarHBondContact O-SG 3.41Å; F226-C279 VanDerWaalsContact O-SG 3.36Å; C228-C279 HydrophobicContact CB-CB 4.46Å; D275-C279 WeakPolarHBondContact O-CB 3.46Å; D275-C279 PolarHBondContact O-N 3.48Å; D275-C279 VanDerWaalsContact O-N 3.14Å; D275-C279 PolarHBondContact O-SG 2.81Å; C279-R283 WeakPolarHBondContact O-CB 3.06Å; C279-R283 PolarHBondContact O-N 2.82Å; C279-T302 HydrophobicContact CB-CG2 3.53Å
280N94Very high89.5Confident42 Ų4247.5 Ų47.523%0.22526%0.257CS..Hα-helixtrans-66-40.4175.2-73.5-24.4000111.7Q276 A277 D278 I282 R283 D284 T302Q276-N280 WeakPolarHBondContact O-CB 3.41Å; Q276-N280 PolarHBondContact O-N 3.11Å; Q276-N280 VanDerWaalsContact O-N 3.15Å; Q276-N280 PolarHBondContact O-ND2 3.19Å; Q276-N280 VanDerWaalsContact O-ND2 3.08Å; A277-N280 PolarHBondContact O-N 2.89Å; D278-N280 VanDerWaalsContact C-N 3.32Å; D278-N280 PolarHBondContact O-N 3.44Å; N280-I282 VanDerWaalsContact C-N 3.35Å; N280-I282 PolarHBondContact O-N 3.44Å; N280-R283 WeakPolarHBondContact O-CB 3.47Å; N280-R283 PolarHBondContact O-N 3.23Å; N280-R283 PolarHBondContact OD1-NH1 3.19Å; N280-R283 VanDerWaalsContact OD1-NH1 3.12Å; N280-D284 VanDerWaalsContact O-CG 3.23Å; N280-D284 PolarHBondContact O-N 3.08Å; N280-T302 VanDerWaalsContact OD1-CB 3.31Å; N280-T302 WeakPolarHBondContact OD1-CB 3.29Å; N280-T302 PolarHBondContact OD1-OG1 2.93Å
281A92.3Very high88.9Confident37 Ų3749.6 Ų49.631%0.30628%0.276SS..Hα-helixtrans-62.7-40.7177.400000112.2A277 D278 R285A277-A281 PolarHBondContact O-N 3.46Å; D278-A281 PolarHBondContact O-N 2.84Å; A281-R285 WeakPolarHBondContact O-CG 3.26Å; A281-R285 PolarHBondContact O-N 3.19Å
282I91.4Very high88Confident15 Ų1557.6 Ų57.68%0.07731%0.313CS..Hα-helixtrans-69.2-44.4176.6-71.9169000111.2C228 T248 L249 I271 Y272 D278 N280 D284 R285 V286C228-I282 HydrophobicContact CB-CG2 4.46Å; T248-I282 HydrophobicContact CG2-CG2 4.16Å; L249-I282 HydrophobicContact CD2-CD1 4.23Å; L249-I282 HydrophobicContact CD2-CG2 3.8Å; I271-I282 HydrophobicContact CD1-CG2 4.32Å; Y272-I282 HydrophobicContact CD1-CD1 3.37Å; Y272-I282 HydrophobicContact CD2-CD1 3.27Å; Y272-I282 HydrophobicContact CE1-CD1 3.59Å; Y272-I282 HydrophobicContact CE2-CD1 3.5Å; Y272-I282 VanDerWaalsContact CE2-CD1 3.5Å; Y272-I282 HydrophobicContact CG-CD1 3.18Å; D278-I282 PolarHBondContact O-N 3.33Å; N280-I282 VanDerWaalsContact C-N 3.35Å; N280-I282 PolarHBondContact O-N 3.44Å; I282-D284 VanDerWaalsContact C-N 3.3Å; I282-D284 PolarHBondContact O-N 3.45Å; I282-R285 PolarHBondContact O-N 3.47Å; I282-V286 HydrophobicContact CG2-CG2 4.42Å; I282-V286 WeakPolarHBondContact O-CG2 3.47Å; I282-V286 PolarHBondContact O-N 2.79Å
283R93.1Very high86.9Confident72 Ų7259.5 Ų59.527%0.27233%0.325SS..Hα-helixtrans-51.5-51.3174.6179.7-159.168-154-2.8111C279 N280 R285 V286 A287 V300C279-R283 WeakPolarHBondContact O-CB 3.06Å; C279-R283 PolarHBondContact O-N 2.82Å; N280-R283 WeakPolarHBondContact O-CB 3.47Å; N280-R283 PolarHBondContact O-N 3.23Å; N280-R283 PolarHBondContact OD1-NH1 3.19Å; N280-R283 VanDerWaalsContact OD1-NH1 3.12Å; R283-R285 VanDerWaalsContact C-N 3.32Å; R283-R285 PolarHBondContact O-N 3.11Å; R283-V286 PolarHBondContact O-N 3.05Å; R283-A287 WeakPolarHBondContact O-CB 3.29Å; R283-A287 PolarHBondContact O-N 2.99Å; R283-V300 HydrophobicContact CB-CG1 4.09Å; R283-V300 WeakPolarHBondContact CD-O 3.42Å; R283-V300 HydrophobicContact CG-CB 3.82Å; R283-V300 HydrophobicContact CG-CG1 3.87Å; R283-V300 VanDerWaalsContact CG-O 3.26Å; R283-V300 WeakPolarHBondContact CG-O 3.33Å
284D92.7Very high85.7Confident87 Ų8760.2 Ų60.247%0.46533%0.33SS..Hα-helixtrans-67.7-32.5-175.7-66.3-18.1000112.2N280 I282 G288N280-D284 VanDerWaalsContact O-CG 3.23Å; N280-D284 PolarHBondContact O-N 3.08Å; I282-D284 VanDerWaalsContact C-N 3.3Å; I282-D284 PolarHBondContact O-N 3.45Å; D284-G288 WeakPolarHBondContact O-CA 3.06Å; D284-G288 PolarHBondContact O-N 3.14Å
285R90.6Very high84.7Confident153 Ų15366.7 Ų66.758%0.57736%0.358SS*.Hα-helixtrans-69.1-45.3173.4-73177.9-159.1172.47.6112.8T248 A281 I282 R283 G288 Y289T248-R285 HydrophobicContact CG2-CB 3.42Å; T248-R285 VanDerWaalsContact CG2-CB 3.42Å; T248-R285 HydrophobicContact CG2-CG 4.41Å; A281-R285 WeakPolarHBondContact O-CG 3.26Å; A281-R285 PolarHBondContact O-N 3.19Å; I282-R285 PolarHBondContact O-N 3.47Å; R283-R285 VanDerWaalsContact C-N 3.32Å; R283-R285 PolarHBondContact O-N 3.11Å; R285-G288 PolarHBondContact O-N 3.47Å; R285-Y289 WeakPolarHBondContact O-CB 3.37Å; R285-Y289 PolarHBondContact O-N 3.4Å
286V89.1Confident84Confident0 Ų068.3 Ų68.30%036%0.358CS..Hα-helixtrans-64-48.8177.9177.90000110.3A244 T248 I271 I282 R283 G288 Y289 S290 L298 V300A244-V286 HydrophobicContact CB-CG1 4.47Å; T248-V286 HydrophobicContact CG2-CG2 3.66Å; I271-V286 HydrophobicContact CD1-CG2 3.99Å; I282-V286 HydrophobicContact CG2-CG2 4.42Å; I282-V286 WeakPolarHBondContact O-CG2 3.47Å; I282-V286 PolarHBondContact O-N 2.79Å; R283-V286 PolarHBondContact O-N 3.05Å; V286-G288 PolarHBondContact O-N 3.24Å; V286-Y289 PolarHBondContact O-N 3.15Å; V286-S290 PolarHBondContact O-N 3.05Å; V286-S290 PolarHBondContact O-OG 3.42Å; V286-L298 HydrophobicContact CG1-CB 4.47Å; V286-L298 HydrophobicContact CG1-CD1 3.95Å; V286-V300 HydrophobicContact CB-CG2 4.11Å; V286-V300 HydrophobicContact CG1-CG2 3.75Å
287A87.1Confident83.7Confident22 Ų2266.7 Ų66.718%0.18236%0.357CS..Hα-helixtrans-61.8-43.2177.700000111.5R283 S290 A291 P297R283-A287 WeakPolarHBondContact O-CB 3.29Å; R283-A287 PolarHBondContact O-N 2.99Å; A287-S290 PolarHBondContact O-N 3.43Å; A287-S290 PolarHBondContact O-OG 3.47Å; A287-A291 WeakPolarHBondContact O-CB 3.5Å; A287-A291 PolarHBondContact O-N 3.27Å; A287-P297 HydrophobicContact CB-CB 4.18Å
288G85.8Confident83.6Confident34 Ų3463.9 Ų63.935%0.35133%0.333SS..Hα-helixtrans-60.3-45.9176.700000113.2D284 R285 V286 S290 A291 E292D284-G288 WeakPolarHBondContact O-CA 3.06Å; D284-G288 PolarHBondContact O-N 3.14Å; R285-G288 PolarHBondContact O-N 3.47Å; V286-G288 PolarHBondContact O-N 3.24Å; G288-S290 VanDerWaalsContact C-N 3.32Å; G288-S290 PolarHBondContact O-N 2.56Å; G288-A291 PolarHBondContact O-N 3.4Å; G288-E292 PolarHBondContact O-N 3.2Å
289Y83.1Confident83.4Confident65 Ų6563.7 Ų63.726%0.25533%0.329SS..Hα-helixtrans-59.4-42.1177.7-172.1-86.7000112.1A244 R285 V286 Q293A244-Y289 HydrophobicContact CB-CD1 3.56Å; A244-Y289 HydrophobicContact CB-CE1 4.12Å; A244-Y289 HydrophobicContact CB-CG 4.32Å; R285-Y289 WeakPolarHBondContact O-CB 3.37Å; R285-Y289 PolarHBondContact O-N 3.4Å; V286-Y289 PolarHBondContact O-N 3.15Å; Y289-Q293 PolarHBondContact OH-NE2 3.5Å
290S79.7Confident83.4Confident0 Ų064.3 Ų64.30%033%0.333CS..Hα-helixtrans-72.3-32.9178.2580000114.2V286 A287 G288 E292 Q293 S294 P297 L298V286-S290 PolarHBondContact O-N 3.05Å; V286-S290 PolarHBondContact O-OG 3.42Å; A287-S290 PolarHBondContact O-N 3.43Å; A287-S290 PolarHBondContact O-OG 3.47Å; G288-S290 VanDerWaalsContact C-N 3.32Å; G288-S290 PolarHBondContact O-N 2.56Å; S290-E292 PolarHBondContact O-N 3.32Å; S290-Q293 PolarHBondContact O-N 3.13Å; S290-S294 PolarHBondContact O-N 2.89Å; S290-P297 WeakPolarHBondContact OG-CA 3.14Å; S290-L298 PolarHBondContact OG-N 3.01Å
291A77.3Confident83.4Confident55 Ų5567.1 Ų67.146%0.45534%0.343SS..Hα-helixtrans-64.7-23.1178.100000113.1A287 G288 P297A287-A291 WeakPolarHBondContact O-CB 3.5Å; A287-A291 PolarHBondContact O-N 3.27Å; G288-A291 PolarHBondContact O-N 3.4Å; A291-P297 HydrophobicContact CB-CB 4.26Å
292E71.6Confident83.4Confident171 Ų17166.9 Ų66.980%0.79934%0.338SS*.THydrogen-bonded Turntrans-76.1-25.3174.2-67.3-179.9179.400112.8G288 S290G288-E292 PolarHBondContact O-N 3.2Å; S290-E292 PolarHBondContact O-N 3.32Å
293Q66.3Low83.5Confident112 Ų11267.1 Ų67.152%0.52334%0.34SS..THydrogen-bonded Turntrans-103-24.6-175.6-62.8-172.2-1.300113.7S240 Y289 S290S240-Q293 PolarHBondContact OG-OE1 3.05Å; Y289-Q293 PolarHBondContact OH-NE2 3.5Å; S290-Q293 PolarHBondContact O-N 3.13Å
294S64.4Low83.4Confident45 Ų4565.9 Ų65.932%0.31534%0.337SS..SBendtrans-134.2153.7-171.5178.80000111.7H236 S290 R296H236-S294 WeakPolarHBondContact NE2-CB 3.16Å; H236-S294 PolarHBondContact NE2-OG 3.41Å; S290-S294 PolarHBondContact O-N 2.89Å; S294-R296 PolarHBondContact O-N 3.12Å; S294-R296 PolarHBondContact OG-N 3.15Å; S294-R296 PolarHBondContact OG-O 2.87Å
295L66.8Low83.2Confident161 Ų16162.7 Ų62.784%0.84332%0.322SS*.SBendtrans-64.8-23.2176.4-82.8155.6000113.3
296R75.4Confident83.1Confident116 Ų11656.3 Ų56.344%0.43830%0.3SS..SBendtrans-122.8134.5175.8-69.8-172.5-178.8-179.23.6109.5H236 S294 D411H236-R296 PolarHBondContact CE1-O 3.17Å; H236-R296 PolarHBondContact NE2-O 3.45Å; H236-R296 VanDerWaalsContact NE2-O 3.14Å; S294-R296 PolarHBondContact O-N 3.12Å; S294-R296 PolarHBondContact OG-N 3.15Å; S294-R296 PolarHBondContact OG-O 2.87Å; R296-D411 IonicContact NH1-OD1 2.68Å; R296-D411 IonicContact NH1-OD2 2.73Å
297P83.7Confident83.3Confident73 Ų7356.6 Ų56.647%0.47430%0.301SS..  trans-68.8152.6171.628.9-33.2000111.2A287 S290 A291A287-P297 HydrophobicContact CB-CB 4.18Å; S290-P297 WeakPolarHBondContact OG-CA 3.14Å; A291-P297 HydrophobicContact CB-CB 4.26Å
298L88Confident83.4Confident6 Ų655.6 Ų55.63%0.03129%0.293CS..  trans-55.5135.8169.8-76.5168.6000110.7L230 H236 V241 A244 V286 S290 V300L230-L298 HydrophobicContact CD1-CB 4.26Å; L230-L298 HydrophobicContact CD1-CD2 4.48Å; H236-L298 HydrophobicContact CB-CD2 3.88Å; H236-L298 WeakPolarHBondContact ND1-CD2 3.47Å; V241-L298 HydrophobicContact CG2-CD2 3.97Å; A244-L298 HydrophobicContact CB-CD1 3.94Å; V286-L298 HydrophobicContact CG1-CB 4.47Å; V286-L298 HydrophobicContact CG1-CD1 3.95Å; S290-L298 PolarHBondContact OG-N 3.01Å; L298-V300 HydrophobicContact CB-CG2 4.41Å; L298-V300 PolarHBondContact O-N 3.48Å; L298-V300 VanDerWaalsContact O-N 3.14Å
299E87.1Confident83.6Confident71 Ų7154.1 Ų54.133%0.33228%0.278SS..  trans-76.8103.7178.4-171.2-178.3178.300110.9F231 K301F231-E299 HydrophobicContact CB-CB 4.15Å; F231-E299 HydrophobicContact CB-CG 4.14Å; F231-E299 HydrophobicContact CD2-CG 4.44Å; F231-E299 PolarHBondContact N-O 3.18Å; E299-K301 WeakPolarHBondContact OE1-CE 3.23Å; E299-K301 IonicContact OE1-NZ 2.76Å; E299-K301 PolarHBondContact OE1-NZ 3.2Å
300V92.4Very high84Confident13 Ų1351.1 Ų51.18%0.07927%0.266CS..EExtended strand (participates in β ladder)trans-124.5130.5175.8-169.10000109.6C228 V229 L230 I271 R283 V286 L298C228-V300 WeakPolarHBondContact SG-CG1 3.38Å; V229-V300 WeakPolarHBondContact O-CA 3.33Å; L230-V300 HydrophobicContact CD1-CG2 3.6Å; I271-V300 HydrophobicContact CD1-CG1 4.5Å; R283-V300 HydrophobicContact CB-CG1 4.09Å; R283-V300 WeakPolarHBondContact CD-O 3.42Å; R283-V300 HydrophobicContact CG-CB 3.82Å; R283-V300 HydrophobicContact CG-CG1 3.87Å; R283-V300 VanDerWaalsContact CG-O 3.26Å; R283-V300 WeakPolarHBondContact CG-O 3.33Å; V286-V300 HydrophobicContact CB-CG2 4.11Å; V286-V300 HydrophobicContact CG1-CG2 3.75Å; L298-V300 HydrophobicContact CB-CG2 4.41Å; L298-V300 PolarHBondContact O-N 3.48Å; L298-V300 VanDerWaalsContact O-N 3.14Å
301K92.8Very high84.7Confident101 Ų10151.7 Ų51.744%0.43927%0.269SS..EExtended strand (participates in β ladder)trans-125141.4-179.6-67.3171.2169.7157.70111.4V229 F231 E299 I303V229-K301 PolarHBondContact N-O 3.36Å; V229-K301 PolarHBondContact O-N 3.33Å; F231-K301 HydrophobicContact CD2-CD 4.36Å; F231-K301 HydrophobicContact CE2-CB 3.98Å; F231-K301 HydrophobicContact CE2-CD 3.9Å; F231-K301 HydrophobicContact CE2-CG 4.2Å; F231-K301 HydrophobicContact CZ-CD 4.38Å; E299-K301 WeakPolarHBondContact OE1-CE 3.23Å; E299-K301 IonicContact OE1-NZ 2.76Å; E299-K301 PolarHBondContact OE1-NZ 3.2Å; K301-I303 HydrophobicContact CB-CD1 4.25Å; K301-I303 HydrophobicContact CB-CG1 4.05Å
302T93.8Very high85.2Confident33 Ų3350.4 Ų50.420%0.20225%0.252CS..EExtended strand (participates in β ladder)trans-89.5117.3169.5-55.30000108.8F226 Q227 Q276 C279 N280F226-T302 HydrophobicContact CB-CG2 4.09Å; F226-T302 HydrophobicContact CD1-CG2 3.91Å; F226-T302 HydrophobicContact CG-CG2 4.33Å; Q227-T302 WeakPolarHBondContact O-CA 3.33Å; Q276-T302 HydrophobicContact CG-CG2 4.49Å; C279-T302 HydrophobicContact CB-CG2 3.53Å; N280-T302 VanDerWaalsContact OD1-CB 3.31Å; N280-T302 WeakPolarHBondContact OD1-CB 3.29Å; N280-T302 PolarHBondContact OD1-OG1 2.93Å
303I92.6Very high86.2Confident20 Ų2042.2 Ų42.210%0.10321%0.214CC..EExtended strand (participates in β ladder)trans-125.9141.8-172.8-49.4-176.3000109.6F226 Q227 V229 F231 K301 S305 F307 V308F226-I303 CarbonylContact C-O 3.59Å; F226-I303 WeakPolarHBondContact CA-O 3.31Å; Q227-I303 PolarHBondContact N-O 3.41Å; Q227-I303 PolarHBondContact O-N 3.3Å; V229-I303 HydrophobicContact CB-CD1 4.1Å; V229-I303 HydrophobicContact CG2-CB 4.5Å; V229-I303 HydrophobicContact CG2-CD1 3.99Å; V229-I303 HydrophobicContact CG2-CG1 4.29Å; F231-I303 HydrophobicContact CE2-CD1 4.19Å; F231-I303 HydrophobicContact CZ-CD1 3.98Å; K301-I303 HydrophobicContact CB-CD1 4.25Å; K301-I303 HydrophobicContact CB-CG1 4.05Å; I303-S305 PolarHBondContact O-N 3.14Å; I303-F307 HydrophobicContact CG2-CB 4.3Å; I303-F307 HydrophobicContact CG2-CD1 3.51Å; I303-F307 HydrophobicContact CG2-CE1 4.25Å; I303-F307 HydrophobicContact CG2-CG 4.31Å; I303-V308 HydrophobicContact CB-CG2 3.74Å; I303-V308 HydrophobicContact CG2-CG2 3.56Å
304E91.4Very high87.5Confident46 Ų4636.9 Ų36.922%0.21519%0.189CC..EExtended strand (participates in β ladder)trans-62133.7174.2-168.4-175.1161.400110.7F226 S306 F307 V308F226-E304 HydrophobicContact CE1-CB 4.47Å; E304-S306 VanDerWaalsContact C-N 3.3Å; E304-S306 WeakPolarHBondContact CG-OG 3.21Å; E304-S306 PolarHBondContact O-N 2.97Å; E304-S306 PolarHBondContact OE1-OG 3.15Å; E304-F307 HydrophobicContact CB-CB 4.2Å; E304-F307 WeakPolarHBondContact O-CA 3.46Å; E304-F307 WeakPolarHBondContact O-CB 3.49Å; E304-F307 PolarHBondContact O-N 3.49Å; E304-V308 PolarHBondContact O-N 3.49Å
305S89.1Confident88.8Confident20 Ų2036 Ų3614%0.1418%0.18CC..Hα-helixtrans-59.2-39.9-175.6-65.60000112.8G225 Q227 I303 F307 V308 A309G225-S305 VanDerWaalsContact O-CB 3.29Å; G225-S305 WeakPolarHBondContact O-CB 3.43Å; G225-S305 PolarHBondContact O-N 3.4Å; G225-S305 PolarHBondContact O-OG 2.86Å; Q227-S305 WeakPolarHBondContact CG-OG 3.06Å; Q227-S305 PolarHBondContact NE2-OG 2.89Å; I303-S305 PolarHBondContact O-N 3.14Å; S305-F307 VanDerWaalsContact C-N 3.27Å; S305-F307 PolarHBondContact O-N 2.99Å; S305-V308 PolarHBondContact O-N 2.77Å; S305-A309 PolarHBondContact O-N 3.41Å
306S88.5Confident89.9Confident19 Ų1929.4 Ų29.413%0.13315%0.148CC..Hα-helixtrans-59.6-39.8175.265.10000111.2E304 A309 H310E304-S306 VanDerWaalsContact C-N 3.3Å; E304-S306 WeakPolarHBondContact CG-OG 3.21Å; E304-S306 PolarHBondContact O-N 2.97Å; E304-S306 PolarHBondContact OE1-OG 3.15Å; S306-A309 WeakPolarHBondContact O-CB 3.48Å; S306-A309 PolarHBondContact O-N 2.69Å; S306-H310 PolarHBondContact O-CD2 3.44Å; S306-H310 PolarHBondContact O-N 2.97Å
307F91.9Very high90.8Very high5 Ų523.9 Ų23.92%0.02213%0.128CC..Hα-helixtrans-69.7-41.4178.4-175-141.8000112V207 S210 L213 I303 E304 S305 A309 H310 Q311V207-F307 HydrophobicContact CG1-CE2 4.26Å; V207-F307 WeakPolarHBondContact O-CE2 3.29Å; S210-F307 WeakPolarHBondContact O-CZ 3.44Å; L213-F307 HydrophobicContact CB-CB 4.12Å; L213-F307 HydrophobicContact CB-CD2 4.18Å; L213-F307 HydrophobicContact CB-CG 4.31Å; L213-F307 HydrophobicContact CD1-CB 4.46Å; L213-F307 HydrophobicContact CD1-CD2 4.02Å; I303-F307 HydrophobicContact CG2-CB 4.3Å; I303-F307 HydrophobicContact CG2-CD1 3.51Å; I303-F307 HydrophobicContact CG2-CE1 4.25Å; I303-F307 HydrophobicContact CG2-CG 4.31Å; E304-F307 HydrophobicContact CB-CB 4.2Å; E304-F307 WeakPolarHBondContact O-CA 3.46Å; E304-F307 WeakPolarHBondContact O-CB 3.49Å; E304-F307 PolarHBondContact O-N 3.49Å; S305-F307 VanDerWaalsContact C-N 3.27Å; S305-F307 PolarHBondContact O-N 2.99Å; F307-A309 VanDerWaalsContact C-N 3.31Å; F307-A309 PolarHBondContact O-N 2.88Å; F307-H310 PolarHBondContact O-N 3.44Å; F307-Q311 HydrophobicContact CD2-CG 4.21Å; F307-Q311 HydrophobicContact CE2-CG 3.88Å; F307-Q311 HydrophobicContact CZ-CG 4.08Å; F307-Q311 WeakPolarHBondContact O-CB 3.45Å; F307-Q311 WeakPolarHBondContact O-CG 3.42Å; F307-Q311 PolarHBondContact O-N 2.92Å
308V90.3Very high91.2Very high1 Ų120.4 Ų20.41%0.00611%0.105CC..Hα-helixtrans-59.8-42.9173.6178.90000111Q227 V229 I303 E304 S305 H310 Q311 Y312Q227-V308 HydrophobicContact CB-CG2 4.34Å; V229-V308 HydrophobicContact CG2-CG2 4.3Å; I303-V308 HydrophobicContact CB-CG2 3.74Å; I303-V308 HydrophobicContact CG2-CG2 3.56Å; E304-V308 PolarHBondContact O-N 3.49Å; S305-V308 PolarHBondContact O-N 2.77Å; V308-H310 PolarHBondContact O-N 2.97Å; V308-Q311 WeakPolarHBondContact O-CB 3.42Å; V308-Q311 PolarHBondContact O-N 3.48Å; V308-Y312 HydrophobicContact CG1-CD2 3.69Å; V308-Y312 HydrophobicContact CG1-CE2 3.45Å; V308-Y312 VanDerWaalsContact CG1-CE2 3.45Å; V308-Y312 VanDerWaalsContact O-CD2 3.24Å; V308-Y312 WeakPolarHBondContact O-CD2 2.88Å; V308-Y312 PolarHBondContact O-N 2.95Å
309A89.1Confident91.1Very high3 Ų322.3 Ų22.33%0.02512%0.115CC..Hα-helixtrans-59-47.217500000112V44 Y48 S305 S306 F307 Q311 Y312 F313V44-A309 HydrophobicContact CG1-CB 4.29Å; Y48-A309 WeakPolarHBondContact O-CB 3.39Å; S305-A309 PolarHBondContact O-N 3.41Å; S306-A309 WeakPolarHBondContact O-CB 3.48Å; S306-A309 PolarHBondContact O-N 2.69Å; F307-A309 VanDerWaalsContact C-N 3.31Å; F307-A309 PolarHBondContact O-N 2.88Å; A309-Q311 VanDerWaalsContact C-N 3.33Å; A309-Q311 PolarHBondContact O-N 3.36Å; A309-Y312 PolarHBondContact O-N 3.17Å; A309-F313 PolarHBondContact O-N 2.84Å
310H92.8Very high91.3Very high2 Ų219.8 Ų19.81%0.00910%0.103CC..Hα-helixtrans-63.4-36.7175.9-82.6-74.4000113.1L40 Y203 V207 L213 S306 F307 V308 F313 A314L40-H310 PolarHBondContact O-CE1 2.97Å; Y203-H310 AromaticContact CE2-ND1 3.93Å; Y203-H310 AromaticContact CZ-ND1 3.79Å; Y203-H310 PolarHBondContact OH-ND1 3.19Å; V207-H310 HydrophobicContact CG1-CB 3.96Å; V207-H310 WeakPolarHBondContact CG1-O 3.49Å; L213-H310 HydrophobicContact CD1-CB 4.02Å; L213-H310 VanDerWaalsContact CD1-CD2 3.48Å; L213-H310 WeakPolarHBondContact CD1-CD2 3.32Å; S306-H310 PolarHBondContact O-CD2 3.44Å; S306-H310 PolarHBondContact O-N 2.97Å; F307-H310 PolarHBondContact O-N 3.44Å; V308-H310 PolarHBondContact O-N 2.97Å; H310-F313 PolarHBondContact O-N 3.33Å; H310-A314 VanDerWaalsContact O-CB 3.31Å; H310-A314 WeakPolarHBondContact O-CB 3.26Å; H310-A314 PolarHBondContact O-N 3.16Å
311Q92.6Very high91.3Very high13 Ų1319.2 Ų19.26%0.06110%0.099CC..Hα-helixtrans-63.3-46.3174.3-80.7-178.6-26.200112.2V207 F307 V308 A309 A314 Q315 W367V207-Q311 HydrophobicContact CG1-CG 4.15Å; F307-Q311 HydrophobicContact CD2-CG 4.21Å; F307-Q311 HydrophobicContact CE2-CG 3.88Å; F307-Q311 HydrophobicContact CZ-CG 4.08Å; F307-Q311 WeakPolarHBondContact O-CB 3.45Å; F307-Q311 WeakPolarHBondContact O-CG 3.42Å; F307-Q311 PolarHBondContact O-N 2.92Å; V308-Q311 WeakPolarHBondContact O-CB 3.42Å; V308-Q311 PolarHBondContact O-N 3.48Å; A309-Q311 VanDerWaalsContact C-N 3.33Å; A309-Q311 PolarHBondContact O-N 3.36Å; Q311-A314 PolarHBondContact O-N 3.07Å; Q311-Q315 PolarHBondContact O-N 3.49Å; Q311-Q315 VanDerWaalsContact O-N 3.12Å; Q311-W367 HydrophobicContact CB-CH2 3.71Å; Q311-W367 HydrophobicContact CB-CZ3 4.42Å; Q311-W367 HydrophobicContact CG-CH2 4.11Å; Q311-W367 HydrophobicContact CG-CZ3 4.39Å
312Y89.3Confident91Very high27 Ų2715.1 Ų15.111%0.1068%0.083CC..Hα-helixtrans-62.4-43.8174.3-80.8-66.1000111.9Y48 Q58 V308 A309 Q315 A316Y48-Y312 HydrophobicContact CD1-CG 4.47Å; Q58-Y312 VanDerWaalsContact OE1-CZ 3.24Å; V308-Y312 HydrophobicContact CG1-CD2 3.69Å; V308-Y312 HydrophobicContact CG1-CE2 3.45Å; V308-Y312 VanDerWaalsContact CG1-CE2 3.45Å; V308-Y312 VanDerWaalsContact O-CD2 3.24Å; V308-Y312 WeakPolarHBondContact O-CD2 2.88Å; V308-Y312 PolarHBondContact O-N 2.95Å; A309-Y312 PolarHBondContact O-N 3.17Å; Y312-Q315 PolarHBondContact O-N 3.35Å; Y312-A316 WeakPolarHBondContact O-CB 3.43Å; Y312-A316 PolarHBondContact O-N 2.84Å
313F92.3Very high90.3Very high0 Ų016.1 Ų16.10%010%0.101CC..Hα-helixtrans-64.1-40.7176.1175.3-104.3000112.7L40 V44 Y48 I64 I68 F69 Y203 A309 H310 Q315 A316 L317L40-F313 HydrophobicContact CD1-CE1 4.03Å; L40-F313 HydrophobicContact CD2-CE1 3.67Å; L40-F313 HydrophobicContact CD2-CZ 3.81Å; L40-F313 HydrophobicContact CG-CE1 4.44Å; V44-F313 HydrophobicContact CB-CB 4.47Å; V44-F313 HydrophobicContact CG1-CB 3.54Å; V44-F313 HydrophobicContact CG1-CD1 4.47Å; V44-F313 HydrophobicContact CG1-CG 4.07Å; V44-F313 HydrophobicContact CG2-CB 4.08Å; V44-F313 HydrophobicContact CG2-CD1 3.56Å; V44-F313 HydrophobicContact CG2-CD2 4.14Å; V44-F313 HydrophobicContact CG2-CE1 4.03Å; V44-F313 HydrophobicContact CG2-CG 3.62Å; Y48-F313 HydrophobicContact CD2-CB 3.99Å; Y48-F313 HydrophobicContact CE2-CB 3.75Å; Y48-F313 HydrophobicContact CE2-CD2 4.09Å; Y48-F313 HydrophobicContact CE2-CG 4.42Å; I64-F313 HydrophobicContact CD1-CD2 4.04Å; I64-F313 HydrophobicContact CD1-CE2 4.31Å; I68-F313 HydrophobicContact CB-CE2 4.26Å; I68-F313 HydrophobicContact CD1-CD2 4.18Å; I68-F313 HydrophobicContact CD1-CE2 3.9Å; I68-F313 HydrophobicContact CD1-CZ 4.45Å; I68-F313 HydrophobicContact CG2-CE2 3.57Å; I68-F313 HydrophobicContact CG2-CZ 3.46Å; I68-F313 VanDerWaalsContact CG2-CZ 3.46Å; F69-F313 AromaticContact CE1-CE2 3.97Å; F69-F313 HydrophobicContact CE1-CE2 3.97Å; F69-F313 HydrophobicContact CZ-CE2 4.46Å; Y203-F313 AromaticContact CE1-CD1 3.71Å; Y203-F313 HydrophobicContact CE1-CD1 3.71Å; Y203-F313 AromaticContact CE1-CE1 3.77Å; Y203-F313 HydrophobicContact CE1-CE1 3.77Å; Y203-F313 AromaticContact CZ-CD1 3.82Å; Y203-F313 WeakPolarHBondContact OH-CD1 3.12Å; A309-F313 PolarHBondContact O-N 2.84Å; H310-F313 PolarHBondContact O-N 3.33Å; F313-Q315 VanDerWaalsContact C-N 3.3Å; F313-Q315 PolarHBondContact O-N 3.25Å; F313-A316 CarbonylContact O-C 3.6Å; F313-A316 PolarHBondContact O-N 3.46Å; F313-L317 HydrophobicContact CE1-CB 4.41Å; F313-L317 HydrophobicContact CE1-CD2 4.02Å; F313-L317 HydrophobicContact CZ-CB 4.31Å; F313-L317 HydrophobicContact CZ-CD1 4.34Å; F313-L317 HydrophobicContact CZ-CD2 4.23Å; F313-L317 WeakPolarHBondContact O-CB 3.28Å; F313-L317 PolarHBondContact O-N 3.3Å
314A93.4Very high90Very high0 Ų019.8 Ų19.80%012%0.116CC..Hα-helixtrans-62.1-39177.600000111.7Y203 V207 L208 H310 Q311 L317 L318Y203-A314 HydrophobicContact CE1-CB 4.17Å; V207-A314 HydrophobicContact CB-CB 4.18Å; V207-A314 HydrophobicContact CG1-CB 3.89Å; L208-A314 HydrophobicContact CD1-CB 4.47Å; L208-A314 HydrophobicContact CD2-CB 3.82Å; L208-A314 HydrophobicContact CG-CB 3.9Å; H310-A314 VanDerWaalsContact O-CB 3.31Å; H310-A314 WeakPolarHBondContact O-CB 3.26Å; H310-A314 PolarHBondContact O-N 3.16Å; Q311-A314 PolarHBondContact O-N 3.07Å; A314-L317 PolarHBondContact O-N 3.26Å; A314-L318 PolarHBondContact O-N 3.04Å
315Q91.5Very high89.8Confident26 Ų2617.6 Ų17.612%0.12111%0.106CC..Hα-helixtrans-65.1-48.9171.4-169.6-169.4-44.700111.5Q311 Y312 F313 L317 L318 D319 W367 T369Q311-Q315 PolarHBondContact O-N 3.49Å; Q311-Q315 VanDerWaalsContact O-N 3.12Å; Y312-Q315 PolarHBondContact O-N 3.35Å; F313-Q315 VanDerWaalsContact C-N 3.3Å; F313-Q315 PolarHBondContact O-N 3.25Å; Q315-L317 PolarHBondContact O-N 2.9Å; Q315-L318 WeakPolarHBondContact O-CB 3.44Å; Q315-L318 PolarHBondContact O-N 3.48Å; Q315-L318 VanDerWaalsContact O-N 3.08Å; Q315-D319 PolarHBondContact O-N 3.08Å; Q315-W367 HydrophobicContact CB-CZ2 4.5Å; Q315-T369 PolarHBondContact NE2-OG1 3.27Å; Q315-T369 VanDerWaalsContact NE2-OG1 3.15Å; Q315-T369 PolarHBondContact OE1-OG1 3.14Å
316A89.7Confident89.7Confident22 Ų2216.9 Ų16.918%0.18210%0.1CC..Hα-helixtrans-60.3-33178.100000112.3Y48 Y312 F313 W320Y48-A316 WeakPolarHBondContact OH-CB 3.33Å; Y312-A316 WeakPolarHBondContact O-CB 3.43Å; Y312-A316 PolarHBondContact O-N 2.84Å; F313-A316 CarbonylContact O-C 3.6Å; F313-A316 PolarHBondContact O-N 3.46Å; A316-W320 WeakPolarHBondContact O-CB 3.4Å; A316-W320 PolarHBondContact O-N 3.36Å
317L93.6Very high89.2Confident0 Ų024.7 Ų24.70%013%0.128CC..Hα-helixtrans-69.5-41.2174.9-176.563.4000111.3F69 I72 L200 Y203 I204 F313 A314 Q315 D319 W320 I321F69-L317 HydrophobicContact CD1-CD1 4.35Å; F69-L317 HydrophobicContact CE1-CD1 3.92Å; I72-L317 HydrophobicContact CD1-CD1 4.23Å; L200-L317 HydrophobicContact CD2-CD2 4.27Å; Y203-L317 HydrophobicContact CD1-CD2 4.07Å; Y203-L317 HydrophobicContact CE1-CD2 4.34Å; I204-L317 HydrophobicContact CD1-CB 4.4Å; I204-L317 HydrophobicContact CD1-CD2 3.8Å; I204-L317 HydrophobicContact CD1-CG 3.9Å; I204-L317 HydrophobicContact CG1-CD2 3.74Å; I204-L317 HydrophobicContact CG1-CG 4.26Å; F313-L317 HydrophobicContact CE1-CB 4.41Å; F313-L317 HydrophobicContact CE1-CD2 4.02Å; F313-L317 HydrophobicContact CZ-CB 4.31Å; F313-L317 HydrophobicContact CZ-CD1 4.34Å; F313-L317 HydrophobicContact CZ-CD2 4.23Å; F313-L317 WeakPolarHBondContact O-CB 3.28Å; F313-L317 PolarHBondContact O-N 3.3Å; A314-L317 PolarHBondContact O-N 3.26Å; Q315-L317 PolarHBondContact O-N 2.9Å; L317-D319 VanDerWaalsContact C-N 3.35Å; L317-W320 HydrophobicContact CD1-CE3 3.84Å; L317-W320 HydrophobicContact CD1-CZ3 4.23Å; L317-W320 PolarHBondContact O-N 3.36Å; L317-I321 HydrophobicContact CD1-CD1 4.31Å; L317-I321 HydrophobicContact CD1-CG1 4.42Å; L317-I321 HydrophobicContact CG-CD1 3.99Å; L317-I321 WeakPolarHBondContact O-CB 3.06Å; L317-I321 WeakPolarHBondContact O-CD1 3.37Å; L317-I321 WeakPolarHBondContact O-CG1 3.47Å; L317-I321 PolarHBondContact O-N 3.13Å
318L92.1Very high88.7Confident0 Ų027.6 Ų27.60%014%0.144CC..Hα-helixtrans-58.1-47171.4-78.8173.3000111.9I204 L208 A314 Q315 I321 S322 V374 L377I204-L318 HydrophobicContact CD1-CD2 3.94Å; I204-L318 HydrophobicContact CD1-CG 4.11Å; I204-L318 HydrophobicContact CG2-CD1 3.89Å; I204-L318 HydrophobicContact CG2-CD2 3.81Å; I204-L318 HydrophobicContact CG2-CG 3.69Å; L208-L318 HydrophobicContact CD1-CD1 3.63Å; A314-L318 PolarHBondContact O-N 3.04Å; Q315-L318 WeakPolarHBondContact O-CB 3.44Å; Q315-L318 PolarHBondContact O-N 3.48Å; Q315-L318 VanDerWaalsContact O-N 3.08Å; L318-I321 PolarHBondContact O-N 3.04Å; L318-S322 WeakPolarHBondContact O-CB 3.41Å; L318-S322 PolarHBondContact O-N 3.28Å; L318-S322 PolarHBondContact O-OG 3.33Å; L318-V374 HydrophobicContact CD1-CG2 3.93Å; L318-L377 HydrophobicContact CD2-CB 4.23Å; L318-L377 HydrophobicContact CD2-CD2 3.61Å; L318-L377 HydrophobicContact CD2-CG 4.39Å
319D87.4Confident88.5Confident46 Ų4627.6 Ų27.625%0.24614%0.143CC..Hα-helixtrans-65.7-41.5179.1-77.3-36.3000111.6Q315 L317 S322 G323 S373 R376Q315-D319 PolarHBondContact O-N 3.08Å; L317-D319 VanDerWaalsContact C-N 3.35Å; D319-S322 PolarHBondContact O-N 2.85Å; D319-G323 WeakPolarHBondContact O-CA 3.36Å; D319-G323 PolarHBondContact O-N 2.9Å; D319-S373 PolarHBondContact OD1-OG 3.26Å; D319-R376 IonicContact OD1-NH1 3.23Å; D319-R376 PolarHBondContact OD1-NH1 2.93Å
320W91.5Very high88.1Confident19 Ų1930 Ų307%0.07216%0.159CC..Hα-helixtrans-65.5-41.9175.6178.479.3000112.4F69 I72 V73 A316 L317 K324 L325F69-W320 HydrophobicContact CB-CD2 4.35Å; F69-W320 HydrophobicContact CB-CZ2 3.89Å; F69-W320 HydrophobicContact CD1-CB 4.35Å; F69-W320 AromaticContact CD1-CD2 3.57Å; F69-W320 HydrophobicContact CD1-CD2 3.57Å; F69-W320 AromaticContact CD1-CE2 3.9Å; F69-W320 AromaticContact CD1-CE3 3.84Å; F69-W320 HydrophobicContact CD1-CE3 3.84Å; F69-W320 AromaticContact CD1-CG 3.8Å; F69-W320 HydrophobicContact CD1-CG 3.8Å; F69-W320 HydrophobicContact CD1-CZ2 4.42Å; F69-W320 HydrophobicContact CD1-CZ3 4.33Å; F69-W320 AromaticContact CD2-CD1 3.71Å; F69-W320 HydrophobicContact CD2-CD2 4.46Å; F69-W320 HydrophobicContact CD2-CG 4.05Å; F69-W320 AromaticContact CD2-NE1 3.95Å; F69-W320 HydrophobicContact CE1-CB 3.79Å; F69-W320 AromaticContact CE1-CD2 3.9Å; F69-W320 HydrophobicContact CE1-CD2 3.9Å; F69-W320 HydrophobicContact CE1-CE3 4.13Å; F69-W320 AromaticContact CE1-CG 3.75Å; F69-W320 HydrophobicContact CE1-CG 3.75Å; F69-W320 HydrophobicContact CE2-CB 4.1Å; F69-W320 AromaticContact CE2-CD1 3.9Å; F69-W320 AromaticContact CE2-CG 3.98Å; F69-W320 HydrophobicContact CE2-CG 3.98Å; F69-W320 AromaticContact CG-CD1 3.87Å; F69-W320 AromaticContact CG-CD2 3.9Å; F69-W320 HydrophobicContact CG-CD2 3.9Å; F69-W320 AromaticContact CG-CE2 3.79Å; F69-W320 AromaticContact CG-CG 3.97Å; F69-W320 HydrophobicContact CG-CG 3.97Å; F69-W320 HydrophobicContact CG-CZ2 4.34Å; F69-W320 AromaticContact CG-NE1 3.77Å; F69-W320 HydrophobicContact CZ-CB 3.64Å; F69-W320 HydrophobicContact CZ-CD2 4.46Å; F69-W320 AromaticContact CZ-CG 3.84Å; F69-W320 HydrophobicContact CZ-CG 3.84Å; I72-W320 HydrophobicContact CB-CH2 4.43Å; I72-W320 HydrophobicContact CG2-CH2 4.04Å; I72-W320 HydrophobicContact CG2-CZ3 4.09Å; V73-W320 HydrophobicContact CG2-CH2 3.81Å; V73-W320 HydrophobicContact CG2-CZ2 3.68Å; A316-W320 WeakPolarHBondContact O-CB 3.4Å; A316-W320 PolarHBondContact O-N 3.36Å; L317-W320 HydrophobicContact CD1-CE3 3.84Å; L317-W320 HydrophobicContact CD1-CZ3 4.23Å; L317-W320 PolarHBondContact O-N 3.36Å; W320-K324 WeakPolarHBondContact O-CA 3.49Å; W320-K324 PolarHBondContact O-N 3.11Å; W320-L325 HydrophobicContact CD2-CB 4.38Å; W320-L325 HydrophobicContact CE3-CB 4.13Å; W320-L325 HydrophobicContact CE3-CD2 4.38Å; W320-L325 HydrophobicContact CH2-CB 4.1Å; W320-L325 HydrophobicContact CH2-CD1 3.7Å; W320-L325 HydrophobicContact CH2-CD2 4.12Å; W320-L325 HydrophobicContact CH2-CG 4.18Å; W320-L325 HydrophobicContact CZ2-CB 4.29Å; W320-L325 HydrophobicContact CZ2-CD1 4.21Å; W320-L325 HydrophobicContact CZ3-CB 4.01Å; W320-L325 HydrophobicContact CZ3-CD1 4.18Å; W320-L325 HydrophobicContact CZ3-CD2 3.72Å; W320-L325 HydrophobicContact CZ3-CG 4.18Å; W320-L325 PolarHBondContact O-N 3.19Å
321I92.6Very high87.7Confident0 Ų030.3 Ų30.30%016%0.161CC..Iπ-helixtrans-58.1-52.4175.8-74.1163.6000109.8I204 L317 L318 L325 L326 F336 L377I204-I321 HydrophobicContact CD1-CD1 3.71Å; L317-I321 HydrophobicContact CD1-CD1 4.31Å; L317-I321 HydrophobicContact CD1-CG1 4.42Å; L317-I321 HydrophobicContact CG-CD1 3.99Å; L317-I321 WeakPolarHBondContact O-CB 3.06Å; L317-I321 WeakPolarHBondContact O-CD1 3.37Å; L317-I321 WeakPolarHBondContact O-CG1 3.47Å; L317-I321 PolarHBondContact O-N 3.13Å; L318-I321 PolarHBondContact O-N 3.04Å; I321-L325 HydrophobicContact CG1-CD2 4.11Å; I321-L326 HydrophobicContact CG2-CD1 4.24Å; I321-L326 HydrophobicContact CG2-CG 4.41Å; I321-L326 WeakPolarHBondContact O-CG 3.27Å; I321-L326 PolarHBondContact O-N 3.18Å; I321-L326 VanDerWaalsContact O-N 3.16Å; I321-F336 HydrophobicContact CD1-CE1 4.17Å; I321-F336 HydrophobicContact CG1-CE1 4.33Å; I321-F336 HydrophobicContact CG1-CZ 4.35Å; I321-F336 HydrophobicContact CG2-CD1 4.08Å; I321-F336 HydrophobicContact CG2-CE1 3.44Å; I321-F336 VanDerWaalsContact CG2-CE1 3.44Å; I321-F336 HydrophobicContact CG2-CZ 3.8Å; I321-L377 HydrophobicContact CG2-CD1 3.72Å
322S85.7Confident87.6Confident15 Ų1529.7 Ų29.711%0.10516%0.158CC..Iπ-helixtrans-74.5-34.9-172.5-500000112.9L318 D319 L377L318-S322 WeakPolarHBondContact O-CB 3.41Å; L318-S322 PolarHBondContact O-N 3.28Å; L318-S322 PolarHBondContact O-OG 3.33Å; D319-S322 PolarHBondContact O-N 2.85Å; S322-L377 VanDerWaalsContact OG-CA 3.3Å; S322-L377 WeakPolarHBondContact OG-CA 3.39Å; S322-L377 PolarHBondContact OG-N 2.84Å
323G79.6Confident87.5Confident55 Ų5529.5 Ų29.557%0.56716%0.159SC*.Iπ-helixtrans-97.4-24.5-172.800000115.4D319D319-G323 WeakPolarHBondContact O-CA 3.36Å; D319-G323 PolarHBondContact O-N 2.9Å
324K84.6Confident87.3Confident96 Ų9631.5 Ų31.542%0.41717%0.172SC..Iπ-helixtrans-129.9-53.9-174-174.2167.2179.6179.30113.7W320 L326 Y327 D328W320-K324 WeakPolarHBondContact O-CA 3.49Å; W320-K324 PolarHBondContact O-N 3.11Å; K324-L326 PolarHBondContact O-N 3.44Å; K324-Y327 WeakPolarHBondContact O-CB 3.46Å; K324-Y327 PolarHBondContact O-N 3.48Å; K324-Y327 VanDerWaalsContact O-N 3.09Å; K324-D328 WeakPolarHBondContact CE-OD2 3.26Å; K324-D328 VanDerWaalsContact CG-OD2 3.28Å; K324-D328 WeakPolarHBondContact CG-OD2 3.21Å; K324-D328 WeakPolarHBondContact O-CB 3.37Å; K324-D328 PolarHBondContact O-N 2.99Å
325L89Confident87.1Confident1 Ų132.5 Ų32.51%0.00518%0.178CC..Iπ-helixtrans-58.5-50-175.517963000112.7V73 Y76 F84 W320 I321 Y327 D328 C329 L332 F336V73-L325 HydrophobicContact CG2-CD1 4.5Å; Y76-L325 HydrophobicContact CE2-CD2 4.15Å; F84-L325 HydrophobicContact CE2-CD1 3.58Å; F84-L325 HydrophobicContact CZ-CD1 3.89Å; W320-L325 HydrophobicContact CD2-CB 4.38Å; W320-L325 HydrophobicContact CE3-CB 4.13Å; W320-L325 HydrophobicContact CE3-CD2 4.38Å; W320-L325 HydrophobicContact CH2-CB 4.1Å; W320-L325 HydrophobicContact CH2-CD1 3.7Å; W320-L325 HydrophobicContact CH2-CD2 4.12Å; W320-L325 HydrophobicContact CH2-CG 4.18Å; W320-L325 HydrophobicContact CZ2-CB 4.29Å; W320-L325 HydrophobicContact CZ2-CD1 4.21Å; W320-L325 HydrophobicContact CZ3-CB 4.01Å; W320-L325 HydrophobicContact CZ3-CD1 4.18Å; W320-L325 HydrophobicContact CZ3-CD2 3.72Å; W320-L325 HydrophobicContact CZ3-CG 4.18Å; W320-L325 PolarHBondContact O-N 3.19Å; I321-L325 HydrophobicContact CG1-CD2 4.11Å; L325-Y327 PolarHBondContact O-N 3.39Å; L325-D328 PolarHBondContact O-N 3.44Å; L325-C329 PolarHBondContact O-N 3.33Å; L325-L332 HydrophobicContact CD1-CD1 3.93Å; L325-L332 HydrophobicContact CD2-CD1 4.37Å; L325-L332 HydrophobicContact CG-CD1 4.05Å; L325-F336 HydrophobicContact CD2-CE2 3.98Å; L325-F336 HydrophobicContact CD2-CZ 3.72Å
326L85.5Confident87.1Confident5 Ų531.3 Ų31.33%0.02617%0.172CC..Hα-helixtrans-71.6-18179.7-69.5174.7000113.2I321 K324 L332 F336 T381I321-L326 HydrophobicContact CG2-CD1 4.24Å; I321-L326 HydrophobicContact CG2-CG 4.41Å; I321-L326 WeakPolarHBondContact O-CG 3.27Å; I321-L326 PolarHBondContact O-N 3.18Å; I321-L326 VanDerWaalsContact O-N 3.16Å; K324-L326 PolarHBondContact O-N 3.44Å; L326-L332 HydrophobicContact CD2-CB 4.2Å; L326-F336 HydrophobicContact CD2-CD2 3.66Å; L326-F336 HydrophobicContact CD2-CE2 4.03Å; L326-F336 HydrophobicContact CD2-CG 4.17Å; L326-T381 HydrophobicContact CD1-CG2 3.5Å
327Y79.3Confident87.2Confident183 Ų18330.3 Ų30.372%0.71816%0.164SC*.Hα-helixtrans-79-48.1171.8178.9-91.9000110.7K324 L325 C329K324-Y327 WeakPolarHBondContact O-CB 3.46Å; K324-Y327 PolarHBondContact O-N 3.48Å; K324-Y327 VanDerWaalsContact O-N 3.09Å; L325-Y327 PolarHBondContact O-N 3.39Å; Y327-C329 VanDerWaalsContact C-N 3.3Å; Y327-C329 PolarHBondContact O-N 3.37Å
328D80.8Confident87Confident66 Ų6632.8 Ų32.835%0.35318%0.184SC..Hα-helixtrans-67.1-30.8179.5-67.6-16.4000111.9F84 K324 L325F84-D328 HydrophobicContact CD2-CB 4.48Å; K324-D328 WeakPolarHBondContact CE-OD2 3.26Å; K324-D328 VanDerWaalsContact CG-OD2 3.28Å; K324-D328 WeakPolarHBondContact CG-OD2 3.21Å; K324-D328 WeakPolarHBondContact O-CB 3.37Å; K324-D328 PolarHBondContact O-N 2.99Å; L325-D328 PolarHBondContact O-N 3.44Å
329C86.2Confident86.9Confident0 Ų033 Ų330%019%0.186CC..  trans-137.885.6176.9-172.70000112.7F84 L325 Y327 L331 L332F84-C329 HydrophobicContact CB-CB 4.46Å; F84-C329 HydrophobicContact CD1-CB 3.7Å; F84-C329 VanDerWaalsContact CD1-SG 3.6Å; F84-C329 HydrophobicContact CD2-CB 3.74Å; F84-C329 HydrophobicContact CE1-CB 3.75Å; F84-C329 HydrophobicContact CE2-CB 3.78Å; F84-C329 HydrophobicContact CG-CB 3.71Å; F84-C329 HydrophobicContact CZ-CB 3.79Å; L325-C329 PolarHBondContact O-N 3.33Å; Y327-C329 VanDerWaalsContact C-N 3.3Å; Y327-C329 PolarHBondContact O-N 3.37Å; C329-L331 PolarHBondContact O-N 2.79Å; C329-L331 VanDerWaalsContact O-N 3.17Å; C329-L332 HydrophobicContact CB-CD1 3.97Å; C329-L332 HydrophobicContact CB-CG 4.28Å; C329-L332 PolarHBondContact O-N 3.22Å
330P80.4Confident87.1Confident54 Ų5430.8 Ų30.835%0.35117%0.174SC..G310 helixtrans-61.6-23177-2535.4000114.1L332 L333P330-L332 PolarHBondContact O-N 3.13Å; P330-L333 WeakPolarHBondContact O-CB 3.49Å; P330-L333 PolarHBondContact O-N 2.79Å
331L85Confident87Confident9 Ų932 Ų325%0.04718%0.18CC..G310 helixtrans-63.4-20.2178-72.6173.9000113.7F88 L96 H178 V181 W193 C329 L333 P334F88-L331 HydrophobicContact CE1-CD1 3.61Å; F88-L331 HydrophobicContact CZ-CD1 3.85Å; L96-L331 HydrophobicContact CD1-CD2 3.35Å; L96-L331 HydrophobicContact CD1-CG 3.71Å; H178-L331 WeakPolarHBondContact NE2-CA 3.34Å; V181-L331 HydrophobicContact CB-CD2 4.22Å; V181-L331 HydrophobicContact CG1-CD1 3.96Å; V181-L331 HydrophobicContact CG1-CD2 3.97Å; W193-L331 HydrophobicContact CH2-CB 3.98Å; W193-L331 HydrophobicContact CH2-CD1 4.43Å; W193-L331 HydrophobicContact CZ3-CB 3.82Å; C329-L331 PolarHBondContact O-N 2.79Å; C329-L331 VanDerWaalsContact O-N 3.17Å; L331-L333 VanDerWaalsContact C-N 3.27Å; L331-P334 WeakPolarHBondContact O-CD 3.4Å
332L89.5Confident86.2Confident0 Ų034.6 Ų34.60%021%0.208CC..G310 helixtrans-74.8-16.6175-73.5171.9000113Y76 F84 W193 L325 L326 C329 P330 T335 F336Y76-L332 HydrophobicContact CD1-CD1 4.26Å; Y76-L332 HydrophobicContact CD1-CD2 3.73Å; Y76-L332 HydrophobicContact CE1-CD1 4.18Å; Y76-L332 HydrophobicContact CE1-CD2 3.59Å; F84-L332 HydrophobicContact CE1-CD1 4.18Å; F84-L332 HydrophobicContact CZ-CD1 3.71Å; W193-L332 HydrophobicContact CB-CD2 3.89Å; W193-L332 HydrophobicContact CD2-CD2 3.5Å; W193-L332 VanDerWaalsContact CD2-CD2 3.5Å; W193-L332 HydrophobicContact CE3-CD2 3.58Å; W193-L332 HydrophobicContact CE3-CG 4.41Å; W193-L332 HydrophobicContact CG-CD2 3.68Å; W193-L332 HydrophobicContact CZ3-CD2 4.26Å; L325-L332 HydrophobicContact CD1-CD1 3.93Å; L325-L332 HydrophobicContact CD2-CD1 4.37Å; L325-L332 HydrophobicContact CG-CD1 4.05Å; L326-L332 HydrophobicContact CD2-CB 4.2Å; C329-L332 HydrophobicContact CB-CD1 3.97Å; C329-L332 HydrophobicContact CB-CG 4.28Å; C329-L332 PolarHBondContact O-N 3.22Å; P330-L332 PolarHBondContact O-N 3.13Å; L332-T335 WeakPolarHBondContact O-CA 3.28Å; L332-T335 VanDerWaalsContact O-CB 3.28Å; L332-T335 WeakPolarHBondContact O-CB 3.38Å; L332-T335 PolarHBondContact O-N 3.5Å; L332-F336 HydrophobicContact CB-CD2 4.01Å; L332-F336 HydrophobicContact CB-CE2 4.09Å; L332-F336 HydrophobicContact CD1-CE2 4.4Å; L332-F336 WeakPolarHBondContact O-CD2 3.46Å; L332-F336 PolarHBondContact O-N 3.42Å
333L88.3Confident85.1Confident23 Ų2336 Ų3612%0.1221%0.211CC..Hα-helixtrans-54.3-50.8-173.1173.964000113.1P330 L331 T335 F336 C337 T381 K384 E385P330-L333 WeakPolarHBondContact O-CB 3.49Å; P330-L333 PolarHBondContact O-N 2.79Å; L331-L333 VanDerWaalsContact C-N 3.27Å; L333-T335 VanDerWaalsContact C-N 3.25Å; L333-T335 PolarHBondContact O-N 3.29Å; L333-F336 PolarHBondContact O-N 2.9Å; L333-C337 PolarHBondContact O-N 3.48Å; L333-C337 PolarHBondContact O-SG 3.41Å; L333-T381 HydrophobicContact CD1-CG2 4.4Å; L333-K384 HydrophobicContact CD1-CB 4.47Å; L333-K384 HydrophobicContact CD1-CD 4.49Å; L333-K384 HydrophobicContact CD2-CB 4.4Å; L333-K384 HydrophobicContact CD2-CD 4.03Å; L333-K384 HydrophobicContact CD2-CG 4.14Å; L333-E385 HydrophobicContact CD2-CB 4.44Å
334P86.7Confident83.9Confident42 Ų4239 Ų3927%0.27321%0.21SC..Hα-helixtrans-62.7-32.2178-22.835.6000113.1H178 L331 C337 A338H178-P334 WeakPolarHBondContact CE1-CG 3.27Å; H178-P334 WeakPolarHBondContact NE2-CD 3.47Å; L331-P334 WeakPolarHBondContact O-CD 3.4Å; P334-C337 PolarHBondContact O-N 3.05Å; P334-A338 WeakPolarHBondContact O-CB 3.35Å; P334-A338 PolarHBondContact O-N 3.34Å
335T89.2Confident82.3Confident21 Ų2135.6 Ų35.613%0.12920%0.202CC..Hα-helixtrans-64.9-49176.1-52.40000110.9W193 Q194 L332 L333 C337 A338 V339W193-T335 HydrophobicContact CB-CG2 4.21Å; Q194-T335 VanDerWaalsContact CA-CG2 3.43Å; Q194-T335 HydrophobicContact CB-CG2 4.05Å; L332-T335 WeakPolarHBondContact O-CA 3.28Å; L332-T335 VanDerWaalsContact O-CB 3.28Å; L332-T335 WeakPolarHBondContact O-CB 3.38Å; L332-T335 PolarHBondContact O-N 3.5Å; L333-T335 VanDerWaalsContact C-N 3.25Å; L333-T335 PolarHBondContact O-N 3.29Å; T335-C337 VanDerWaalsContact C-N 3.33Å; T335-C337 PolarHBondContact O-N 3.25Å; T335-A338 PolarHBondContact O-N 3.13Å; T335-V339 WeakPolarHBondContact O-CG2 3.46Å; T335-V339 PolarHBondContact O-N 3.24Å
336F93.2Very high80.3Confident0 Ų041.2 Ų41.20%024%0.242CC..Hα-helixtrans-59-45.1174.6-87.5-91.4000111.4T197 L201 I321 L325 L326 L332 L333 A338 V339 L340 T381T197-F336 HydrophobicContact CG2-CB 4.42Å; T197-F336 HydrophobicContact CG2-CD1 3.56Å; T197-F336 HydrophobicContact CG2-CD2 3.82Å; T197-F336 HydrophobicContact CG2-CE1 3.59Å; T197-F336 HydrophobicContact CG2-CE2 3.86Å; T197-F336 HydrophobicContact CG2-CG 3.68Å; T197-F336 HydrophobicContact CG2-CZ 3.74Å; L201-F336 HydrophobicContact CD1-CD1 4.02Å; L201-F336 HydrophobicContact CD1-CE1 4.33Å; L201-F336 HydrophobicContact CD2-CD1 4.43Å; L201-F336 HydrophobicContact CD2-CE1 4.24Å; L201-F336 HydrophobicContact CG-CD1 4.47Å; L201-F336 HydrophobicContact CG-CE1 4.31Å; I321-F336 HydrophobicContact CD1-CE1 4.17Å; I321-F336 HydrophobicContact CG1-CE1 4.33Å; I321-F336 HydrophobicContact CG1-CZ 4.35Å; I321-F336 HydrophobicContact CG2-CD1 4.08Å; I321-F336 HydrophobicContact CG2-CE1 3.44Å; I321-F336 VanDerWaalsContact CG2-CE1 3.44Å; I321-F336 HydrophobicContact CG2-CZ 3.8Å; L325-F336 HydrophobicContact CD2-CE2 3.98Å; L325-F336 HydrophobicContact CD2-CZ 3.72Å; L326-F336 HydrophobicContact CD2-CD2 3.66Å; L326-F336 HydrophobicContact CD2-CE2 4.03Å; L326-F336 HydrophobicContact CD2-CG 4.17Å; L332-F336 HydrophobicContact CB-CD2 4.01Å; L332-F336 HydrophobicContact CB-CE2 4.09Å; L332-F336 HydrophobicContact CD1-CE2 4.4Å; L332-F336 WeakPolarHBondContact O-CD2 3.46Å; L332-F336 PolarHBondContact O-N 3.42Å; L333-F336 PolarHBondContact O-N 2.9Å; F336-A338 PolarHBondContact O-N 3.46Å; F336-V339 PolarHBondContact O-N 2.89Å; F336-L340 VanDerWaalsContact O-CB 3.31Å; F336-L340 WeakPolarHBondContact O-CB 3.27Å; F336-L340 VanDerWaalsContact O-CG 3.29Å; F336-L340 WeakPolarHBondContact O-CG 3.21Å; F336-L340 PolarHBondContact O-N 3.44Å; F336-T381 HydrophobicContact CB-CG2 3.87Å; F336-T381 HydrophobicContact CG-CG2 4.44Å
337C91.3Very high78.3Confident1 Ų145.6 Ų45.61%0.00727%0.272CS..Hα-helixtrans-61.9-42.9177.2-66.80000112.7L333 P334 T335 M341 T381 L382 E385 S388L333-C337 PolarHBondContact O-N 3.48Å; L333-C337 PolarHBondContact O-SG 3.41Å; P334-C337 PolarHBondContact O-N 3.05Å; T335-C337 VanDerWaalsContact C-N 3.33Å; T335-C337 PolarHBondContact O-N 3.25Å; C337-M341 WeakPolarHBondContact O-CB 3.19Å; C337-M341 WeakPolarHBondContact O-CG 3.35Å; C337-M341 PolarHBondContact O-N 3.49Å; C337-T381 PolarHBondContact SG-O 2.75Å; C337-T381 VanDerWaalsContact SG-O 3.36Å; C337-L382 HydrophobicContact CB-CD2 3.94Å; C337-E385 WeakPolarHBondContact CB-OE2 3.39Å; C337-S388 WeakPolarHBondContact CB-OG 3.32Å
338A88.5Confident76.3Confident52 Ų5241.3 Ų41.343%0.4327%0.267SS..Hα-helixtrans-64.9-41.5178.600000112.2P334 T335 F336 G342P334-A338 WeakPolarHBondContact O-CB 3.35Å; P334-A338 PolarHBondContact O-N 3.34Å; T335-A338 PolarHBondContact O-N 3.13Å; F336-A338 PolarHBondContact O-N 3.46Å; A338-G342 VanDerWaalsContact O-CA 3.23Å; A338-G342 WeakPolarHBondContact O-CA 3.48Å; A338-G342 PolarHBondContact O-N 3.35Å
339V90.7Very high74.3Confident5 Ų550.8 Ų50.83%0.0330%0.298CS..Hα-helixtrans-68.1-47.6177.41730000110.8Q194 T197 E198 L201 T335 F336 M341 G342 Y343Q194-V339 HydrophobicContact CG-CG2 4.06Å; T197-V339 HydrophobicContact CG2-CB 4.29Å; T197-V339 HydrophobicContact CG2-CG2 4.13Å; E198-V339 HydrophobicContact CB-CG1 3.94Å; E198-V339 HydrophobicContact CB-CG2 4.24Å; E198-V339 HydrophobicContact CG-CG1 4.25Å; L201-V339 HydrophobicContact CD1-CB 4.27Å; L201-V339 HydrophobicContact CD1-CG1 3.74Å; T335-V339 WeakPolarHBondContact O-CG2 3.46Å; T335-V339 PolarHBondContact O-N 3.24Å; F336-V339 PolarHBondContact O-N 2.89Å; V339-M341 VanDerWaalsContact C-N 3.3Å; V339-M341 PolarHBondContact O-N 3.11Å; V339-G342 PolarHBondContact O-N 3.26Å; V339-Y343 VanDerWaalsContact O-CB 3.27Å; V339-Y343 WeakPolarHBondContact O-CB 3.5Å; V339-Y343 PolarHBondContact O-N 3.16Å; V339-Y343 VanDerWaalsContact O-N 3.07Å
340L92.2Very high72.4Confident0 Ų055.7 Ų55.70%034%0.339CS..Hα-helixtrans-59.2-39.6179.5-77.8169.3000112.8L201 F336 L355 A356 L359 L377 T381 L382L201-L340 HydrophobicContact CD1-CD2 4.01Å; L201-L340 HydrophobicContact CD1-CG 3.95Å; F336-L340 VanDerWaalsContact O-CB 3.31Å; F336-L340 WeakPolarHBondContact O-CB 3.27Å; F336-L340 VanDerWaalsContact O-CG 3.29Å; F336-L340 WeakPolarHBondContact O-CG 3.21Å; F336-L340 PolarHBondContact O-N 3.44Å; L340-L355 HydrophobicContact CD2-CD2 4.27Å; L340-L355 PolarHBondContact O-N 2.69Å; L340-A356 HydrophobicContact CB-CB 4.31Å; L340-A356 WeakPolarHBondContact O-CB 3.45Å; L340-A356 PolarHBondContact O-N 3.45Å; L340-L359 HydrophobicContact CD2-CD1 4.4Å; L340-L377 HydrophobicContact CD1-CG 4.4Å; L340-L377 HydrophobicContact CD2-CD2 4.2Å; L340-T381 HydrophobicContact CD1-CG2 4.26Å; L340-T381 VanDerWaalsContact CD1-OG1 3.24Å; L340-T381 WeakPolarHBondContact CD1-OG1 3.49Å; L340-L382 HydrophobicContact CB-CD1 4.29Å; L340-L382 HydrophobicContact CB-CD2 4.03Å; L340-L382 HydrophobicContact CB-CG 4.4Å; L340-L382 HydrophobicContact CD1-CD2 4.35Å; L340-L382 HydrophobicContact CD1-CG 4.2Å
341M88.6Confident71Confident43 Ų4356.4 Ų56.421%0.21235%0.345CS..Hα-helixtrans-90.1-23.9-179.9-68.1-63.6-62.200114.4C337 V339 C354 L382 K391 F392 L395C337-M341 WeakPolarHBondContact O-CB 3.19Å; C337-M341 WeakPolarHBondContact O-CG 3.35Å; C337-M341 PolarHBondContact O-N 3.49Å; V339-M341 VanDerWaalsContact C-N 3.3Å; V339-M341 PolarHBondContact O-N 3.11Å; M341-C354 WeakPolarHBondContact O-CB 3.43Å; M341-L382 HydrophobicContact CG-CD1 4.26Å; M341-L382 HydrophobicContact CG-CD2 3.56Å; M341-L382 HydrophobicContact SD-CD1 3.83Å; M341-L382 HydrophobicContact SD-CD2 4.18Å; M341-K391 HydrophobicContact CE-CB 3.96Å; M341-F392 HydrophobicContact SD-CB 4.29Å; M341-F392 HydrophobicContact SD-CD2 4.29Å; M341-L395 HydrophobicContact CE-CB 4.21Å; M341-L395 HydrophobicContact CE-CD2 3.87Å; M341-L395 HydrophobicContact SD-CD2 3.84Å
342G76.3Confident70Confident56 Ų5663.7 Ų63.758%0.57738%0.377SS*.Hα-helixtrans-103.3-19-169.200000115.2A338 V339 E344A338-G342 VanDerWaalsContact O-CA 3.23Å; A338-G342 WeakPolarHBondContact O-CA 3.48Å; A338-G342 PolarHBondContact O-N 3.35Å; V339-G342 PolarHBondContact O-N 3.26Å; G342-E344 PolarHBondContact O-N 2.71Å; G342-E344 VanDerWaalsContact O-N 3.1Å
343Y62.1Low69.6Low43 Ų4365.9 Ų65.917%0.16939%0.386CS..  trans-78.493.5-178.2-175.5-104.6000112E198 I202 V339 G345 C354 L355E198-Y343 HydrophobicContact CG-CD2 3.96Å; E198-Y343 HydrophobicContact CG-CE2 4.21Å; E198-Y343 WeakPolarHBondContact OE1-CD2 3.48Å; E198-Y343 WeakPolarHBondContact OE1-CE2 3.46Å; I202-Y343 HydrophobicContact CD1-CD2 4.34Å; I202-Y343 HydrophobicContact CD1-CE1 3.89Å; I202-Y343 HydrophobicContact CD1-CE2 3.63Å; I202-Y343 WeakPolarHBondContact CD1-OH 3.48Å; I202-Y343 HydrophobicContact CG1-CD1 4.4Å; I202-Y343 HydrophobicContact CG1-CE1 3.81Å; I202-Y343 HydrophobicContact CG1-CE2 4.42Å; V339-Y343 VanDerWaalsContact O-CB 3.27Å; V339-Y343 WeakPolarHBondContact O-CB 3.5Å; V339-Y343 PolarHBondContact O-N 3.16Å; V339-Y343 VanDerWaalsContact O-N 3.07Å; Y343-G345 PolarHBondContact O-N 3.45Å; Y343-C354 VanDerWaalsContact O-CA 3.26Å; Y343-C354 WeakPolarHBondContact O-CA 3Å; Y343-L355 HydrophobicContact CD1-CB 4.38Å; Y343-L355 HydrophobicContact CD1-CD1 4.46Å; Y343-L355 PolarHBondContact O-N 3.36Å
344E54.2Low69.6Low119 Ų11965.5 Ų65.556%0.55639%0.385SS*.BIsolated β-bridgetrans-86.592.4164.3-66.2-179.9-175.200108.2G342 K352G342-E344 PolarHBondContact O-N 2.71Å; G342-E344 VanDerWaalsContact O-N 3.1Å; E344-K352 HydrophobicContact CB-CB 4.41Å; E344-K352 HydrophobicContact CG-CB 4.44Å; E344-K352 WeakPolarHBondContact OE2-CD 3.24Å
345G52.3Low69.7Low24 Ų2463.7 Ų63.725%0.24737%0.373CS..  trans-48.9143.2-173.100000114.6Y343 C347Y343-G345 PolarHBondContact O-N 3.45Å; G345-C347 VanDerWaalsContact C-N 3.32Å; G345-C347 PolarHBondContact O-N 2.73Å
346S45Very low69.8Low120 Ų12062.7 Ų62.784%0.83937%0.367SS*.SBendtrans-79-8.9-178.159.40000114.5
347C44Very low69.6Low97 Ų9762.8 Ų62.866%0.65537%0.368SS*.SBendtrans-106.1-7.9-163.745.90000116.8G345G345-C347 VanDerWaalsContact C-N 3.32Å; G345-C347 PolarHBondContact O-N 2.73Å
348C37.3Very low69.6Low92 Ų9264.6 Ų64.662%0.62238%0.379SS*.  trans-125.8102.6-179.3-59.70000111.4A350C348-A350 PolarHBondContact O-N 3.37Å; C348-A350 VanDerWaalsContact O-N 3.14Å
349R39.6Very low69.7Low265 Ų26562.2 Ų62.2100%136%0.359SS*.THydrogen-bonded Turntrans-67.6-6.8-175-77.1-179.3176173.9-1.2115.7
350A46.8Very low69.7Low103 Ų10362 Ų6285%0.85136%0.357SS*.THydrogen-bonded Turntrans-95.3-23.6-166.700000115.9C348C348-A350 PolarHBondContact O-N 3.37Å; C348-A350 VanDerWaalsContact O-N 3.14Å
351S50.4Low69.5Low70 Ų7062.7 Ų62.749%0.4936%0.362SS..  trans-160.6123.8162.581.50000109.1K353S351-K353 VanDerWaalsContact C-N 3.26Å; S351-K353 PolarHBondContact O-N 2.92Å
352K63.9Low69.5Low161 Ų16161.5 Ų61.570%0.736%0.357SS*.  trans-76.778.9177.4-69.6-173.4176-170.40109.7E344E344-K352 HydrophobicContact CB-CB 4.41Å; E344-K352 HydrophobicContact CG-CB 4.44Å; E344-K352 WeakPolarHBondContact OE2-CD 3.24Å
353K80.4Confident69.8Low47 Ų4759 Ų5920%0.20433%0.331CS..  trans-86.1141171.7-77.3178179.4179.90109.8S351 A357 T361 E402S351-K353 VanDerWaalsContact C-N 3.26Å; S351-K353 PolarHBondContact O-N 2.92Å; K353-A357 HydrophobicContact CB-CB 3.92Å; K353-A357 HydrophobicContact CD-CB 4.38Å; K353-A357 HydrophobicContact CG-CB 4.16Å; K353-T361 PolarHBondContact NZ-OG1 3.45Å; K353-E402 WeakPolarHBondContact CE-OE2 3.25Å; K353-E402 IonicContact NZ-OE1 2.78Å; K353-E402 PolarHBondContact NZ-OE1 3.33Å; K353-E402 IonicContact NZ-OE2 2.67Å; K353-E402 PolarHBondContact NZ-OE2 2.75Å
354C88.7Confident70.7Confident14 Ų1461 Ų6110%0.09535%0.352CS..BIsolated β-bridgetrans-68.1160.4167.368.80000110.3M341 Y343 A356 A357 T358 L395M341-C354 WeakPolarHBondContact O-CB 3.43Å; Y343-C354 VanDerWaalsContact O-CA 3.26Å; Y343-C354 WeakPolarHBondContact O-CA 3Å; C354-A356 VanDerWaalsContact C-N 3.29Å; C354-A356 PolarHBondContact O-N 2.73Å; C354-A357 WeakPolarHBondContact O-CA 3.07Å; C354-A357 WeakPolarHBondContact O-CB 3.47Å; C354-A357 PolarHBondContact O-N 3.36Å; C354-T358 PolarHBondContact O-N 2.88Å; C354-T358 PolarHBondContact O-OG1 2.73Å; C354-L395 WeakPolarHBondContact SG-CD2 3.07Å
355L88.8Confident72.1Confident5 Ų560.6 Ų60.63%0.02635%0.348CS..Hα-helixtrans-57.7-39.3-175.7-166.667.2000113.7L201 L340 Y343 A357 T358 L359L201-L355 HydrophobicContact CB-CD2 3.41Å; L201-L355 VanDerWaalsContact CB-CD2 3.41Å; L201-L355 HydrophobicContact CD1-CD2 4.22Å; L201-L355 HydrophobicContact CG-CD2 4.37Å; L340-L355 HydrophobicContact CD2-CD2 4.27Å; L340-L355 PolarHBondContact O-N 2.69Å; Y343-L355 HydrophobicContact CD1-CB 4.38Å; Y343-L355 HydrophobicContact CD1-CD1 4.46Å; Y343-L355 PolarHBondContact O-N 3.36Å; L355-A357 VanDerWaalsContact C-N 3.33Å; L355-A357 PolarHBondContact O-N 3.31Å; L355-T358 PolarHBondContact O-N 3.47Å; L355-L359 HydrophobicContact CG-CD1 4.37Å; L355-L359 WeakPolarHBondContact O-CG 3.1Å; L355-L359 PolarHBondContact O-N 2.8Å
356A90.5Very high73.9Confident0 Ų059.7 Ų59.70%034%0.337CS..Hα-helixtrans-59.3-43.517400000112.2L340 C354 L360 I378 L382L340-A356 HydrophobicContact CB-CB 4.31Å; L340-A356 WeakPolarHBondContact O-CB 3.45Å; L340-A356 PolarHBondContact O-N 3.45Å; C354-A356 VanDerWaalsContact C-N 3.29Å; C354-A356 PolarHBondContact O-N 2.73Å; A356-L360 WeakPolarHBondContact O-CB 3.1Å; A356-L360 VanDerWaalsContact O-CG 3.26Å; A356-L360 WeakPolarHBondContact O-CG 3.18Å; A356-L360 PolarHBondContact O-N 2.86Å; A356-L360 VanDerWaalsContact O-N 3.08Å; A356-I378 HydrophobicContact CB-CD1 3.89Å; A356-L382 HydrophobicContact CB-CD1 3.68Å
357A91Very high76Confident1 Ų154.1 Ų54.11%0.00830%0.298CS..Hα-helixtrans-65.2-40.917600000111.7K353 C354 L355 L360 T361 L395 L399K353-A357 HydrophobicContact CB-CB 3.92Å; K353-A357 HydrophobicContact CD-CB 4.38Å; K353-A357 HydrophobicContact CG-CB 4.16Å; C354-A357 WeakPolarHBondContact O-CA 3.07Å; C354-A357 WeakPolarHBondContact O-CB 3.47Å; C354-A357 PolarHBondContact O-N 3.36Å; L355-A357 VanDerWaalsContact C-N 3.33Å; L355-A357 PolarHBondContact O-N 3.31Å; A357-L360 PolarHBondContact O-N 2.88Å; A357-T361 WeakPolarHBondContact O-CB 3.49Å; A357-T361 WeakPolarHBondContact O-CG2 3.43Å; A357-T361 PolarHBondContact O-N 3.42Å; A357-T361 PolarHBondContact O-OG1 3.2Å; A357-L395 HydrophobicContact CB-CD1 4.29Å; A357-L395 HydrophobicContact CB-CD2 4.34Å; A357-L399 HydrophobicContact CB-CD1 3.66Å; A357-L399 HydrophobicContact CB-CD2 4.16Å; A357-L399 HydrophobicContact CB-CG 4.49Å
358T90Very high78Confident40 Ų4051.2 Ų51.225%0.24527%0.274CS..Hα-helixtrans-61-48.2176.8-560000111.4L209 C354 L355 T361 S362L209-T358 HydrophobicContact CD1-CG2 3.75Å; C354-T358 PolarHBondContact O-N 2.88Å; C354-T358 PolarHBondContact O-OG1 2.73Å; L355-T358 PolarHBondContact O-N 3.47Å; T358-T361 PolarHBondContact O-N 3.15Å; T358-S362 VanDerWaalsContact O-CB 3.31Å; T358-S362 WeakPolarHBondContact O-CB 3.36Å; T358-S362 PolarHBondContact O-N 2.73Å; T358-S362 PolarHBondContact O-OG 3.5Å
359L90.9Very high80.4Confident2 Ų248.3 Ų48.31%0.0125%0.254CS..Hα-helixtrans-62.2-44.4178.9-70.5172.2000112L340 L355 S362 V374 L377L340-L359 HydrophobicContact CD2-CD1 4.4Å; L355-L359 HydrophobicContact CG-CD1 4.37Å; L355-L359 WeakPolarHBondContact O-CG 3.1Å; L355-L359 PolarHBondContact O-N 2.8Å; L359-S362 PolarHBondContact O-N 3.42Å; L359-V374 HydrophobicContact CB-CG1 3.92Å; L359-L377 HydrophobicContact CD1-CD2 4.37Å
360L90.1Very high82.8Confident0 Ų035.7 Ų35.70%021%0.206CC..Hα-helixtrans-70.3-31.7180-67.9172.2000113.5A356 A357 S362 I378 F392 L403 S418 M421A356-L360 WeakPolarHBondContact O-CB 3.1Å; A356-L360 VanDerWaalsContact O-CG 3.26Å; A356-L360 WeakPolarHBondContact O-CG 3.18Å; A356-L360 PolarHBondContact O-N 2.86Å; A356-L360 VanDerWaalsContact O-N 3.08Å; A357-L360 PolarHBondContact O-N 2.88Å; L360-S362 VanDerWaalsContact C-N 3.33Å; L360-I378 HydrophobicContact CD2-CG1 4.4Å; L360-F392 HydrophobicContact CD1-CE2 3.66Å; L360-F392 HydrophobicContact CD1-CZ 3.79Å; L360-L403 HydrophobicContact CB-CD2 4.19Å; L360-L403 VanDerWaalsContact O-CD2 3.25Å; L360-L403 WeakPolarHBondContact O-CD2 3.24Å; L360-S418 WeakPolarHBondContact CD2-OG 3.4Å; L360-S418 PolarHBondContact O-OG 2.9Å; L360-M421 HydrophobicContact CD2-SD 3.85Å
361T89.7Confident84.9Confident14 Ų1431 Ų319%0.08617%0.166CC..THydrogen-bonded Turntrans-92.28.5-179.457.60000113.7K353 A357 T358 L399 E402 L403 L406K353-T361 PolarHBondContact NZ-OG1 3.45Å; A357-T361 WeakPolarHBondContact O-CB 3.49Å; A357-T361 WeakPolarHBondContact O-CG2 3.43Å; A357-T361 PolarHBondContact O-N 3.42Å; A357-T361 PolarHBondContact O-OG1 3.2Å; T358-T361 PolarHBondContact O-N 3.15Å; T361-L399 HydrophobicContact CG2-CD1 4.47Å; T361-L399 HydrophobicContact CG2-CD2 4.07Å; T361-E402 HydrophobicContact CG2-CG 4.14Å; T361-L403 HydrophobicContact CG2-CD2 4.07Å; T361-L406 WeakPolarHBondContact O-CD1 3.4Å
362S87.6Confident86.5Confident18 Ų1829.5 Ų29.513%0.12615%0.154CC..THydrogen-bonded Turntrans-117.624.5178.6-500000112.4L209 T358 L359 L360 S364 F365L209-S362 VanDerWaalsContact CD2-CB 3.4Å; T358-S362 VanDerWaalsContact O-CB 3.31Å; T358-S362 WeakPolarHBondContact O-CB 3.36Å; T358-S362 PolarHBondContact O-N 2.73Å; T358-S362 PolarHBondContact O-OG 3.5Å; L359-S362 PolarHBondContact O-N 3.42Å; L360-S362 VanDerWaalsContact C-N 3.33Å; S362-S364 PolarHBondContact O-N 3.4Å; S362-S364 VanDerWaalsContact O-N 3.09Å; S362-F365 PolarHBondContact O-N 3.28Å
363D83.3Confident87.7Confident5 Ų522 Ų223%0.02712%0.122CC..G310 helixtrans-49.8-35.4179.9-87.66.5000113F365 L366 R371 S418D363-F365 PolarHBondContact O-N 3.07Å; D363-F365 VanDerWaalsContact O-N 3.16Å; D363-L366 PolarHBondContact O-N 3.21Å; D363-R371 VanDerWaalsContact O-CZ 3.26Å; D363-R371 PolarHBondContact O-NE 3.34Å; D363-R371 PolarHBondContact O-NH2 2.71Å; D363-S418 VanDerWaalsContact CG-OG 3.27Å; D363-S418 PolarHBondContact OD1-OG 3.33Å; D363-S418 WeakPolarHBondContact OD2-CB 3.25Å; D363-S418 PolarHBondContact OD2-N 3.37Å; D363-S418 PolarHBondContact OD2-OG 3.04Å; D363-S418 VanDerWaalsContact OD2-OG 3.1Å
364S80.7Confident88.2Confident85 Ų8519.7 Ų19.759%0.59411%0.112SC*.G310 helixtrans-61.7-20.8179.2560000114.6S362S362-S364 PolarHBondContact O-N 3.4Å; S362-S364 VanDerWaalsContact O-N 3.09Å
365F84Confident88.2Confident109 Ų10919.1 Ų19.148%0.47811%0.108SC..G310 helixtrans-89.8-13.1175.4-67.6-89.4000112.9L209 T211 S362 D363L209-F365 HydrophobicContact CD2-CB 4.13Å; T211-F365 HydrophobicContact CG2-CE1 4.36Å; S362-F365 PolarHBondContact O-N 3.28Å; D363-F365 PolarHBondContact O-N 3.07Å; D363-F365 VanDerWaalsContact O-N 3.16Å
366L89.9Confident88.1Confident5 Ų522.3 Ų22.33%0.02612%0.12CC..  trans-103.6136.9-171.2-57.4179.1000111.1L208 L209 D363 C370 R371 V374L208-L366 HydrophobicContact CB-CD2 3.77Å; L208-L366 HydrophobicContact CD1-CD2 4.3Å; L209-L366 HydrophobicContact CD2-CD2 3.91Å; L209-L366 HydrophobicContact CD2-CG 4.28Å; D363-L366 PolarHBondContact O-N 3.21Å; L366-C370 HydrophobicContact CB-CB 4.2Å; L366-C370 HydrophobicContact CD2-CB 4.32Å; L366-R371 HydrophobicContact CB-CG 3.53Å; L366-R371 HydrophobicContact CD1-CG 4.33Å; L366-R371 PolarHBondContact O-NE 3.26Å; L366-V374 HydrophobicContact CD1-CG2 3.98Å
367W88.6Confident88.1Confident3 Ų322.3 Ų22.31%0.01112%0.12CC..  trans-83.8167.1170.259.488.5000111.7L208 I266 R268 Q311 Q315 T369 C370 R371L208-W367 HydrophobicContact CD2-CH2 3.67Å; L208-W367 HydrophobicContact CD2-CZ2 4.43Å; L208-W367 HydrophobicContact CD2-CZ3 4.28Å; I266-W367 VanDerWaalsContact O-CD1 3.22Å; R268-W367 HydrophobicContact CG-CD2 4.47Å; R268-W367 HydrophobicContact CG-CG 4.16Å; R268-W367 VanDerWaalsContact CZ-CH2 3.47Å; R268-W367 VanDerWaalsContact NH1-CZ3 3.28Å; R268-W367 VanDerWaalsContact NH2-CZ2 3.33Å; Q311-W367 HydrophobicContact CB-CH2 3.71Å; Q311-W367 HydrophobicContact CB-CZ3 4.42Å; Q311-W367 HydrophobicContact CG-CH2 4.11Å; Q311-W367 HydrophobicContact CG-CZ3 4.39Å; Q315-W367 HydrophobicContact CB-CZ2 4.5Å; W367-T369 VanDerWaalsContact CD1-OG1 3.24Å; W367-T369 PolarHBondContact NE1-OG1 3.01Å; W367-T369 PolarHBondContact O-N 2.81Å; W367-C370 HydrophobicContact CD2-CB 4.04Å; W367-C370 HydrophobicContact CG-CB 4.28Å; W367-C370 VanDerWaalsContact CH2-SG 3.51Å; W367-C370 HydrophobicContact CZ2-CB 4.22Å; W367-C370 WeakPolarHBondContact CZ2-SG 3.49Å; W367-C370 WeakPolarHBondContact O-CB 3.45Å; W367-C370 PolarHBondContact O-N 3.36Å; W367-R371 PolarHBondContact O-N 3.45Å
368K86.8Confident88.2Confident36 Ų3622.3 Ų22.316%0.15712%0.119CC..Hα-helixtrans-41.1-57.1-172.6-160.1174.3-175.9160.40114.6E234 D264 I266 C370 R371 V372 Y412 V416E234-K368 IonicContact OE1-NZ 3.59Å; E234-K368 PolarHBondContact OE1-NZ 3.36Å; D264-K368 WeakPolarHBondContact O-CD 3.2Å; D264-K368 WeakPolarHBondContact O-CE 3.27Å; D264-K368 PolarHBondContact O-NZ 3.06Å; D264-K368 IonicContact OD1-NZ 2.66Å; D264-K368 PolarHBondContact OD1-NZ 3Å; I266-K368 WeakPolarHBondContact O-CB 3.06Å; K368-C370 PolarHBondContact O-N 3.21Å; K368-R371 PolarHBondContact O-N 3.45Å; K368-V372 WeakPolarHBondContact O-CG2 3.33Å; K368-V372 PolarHBondContact O-N 3.48Å; K368-Y412 HydrophobicContact CB-CD1 4.27Å; K368-Y412 HydrophobicContact CB-CE1 3.8Å; K368-Y412 HydrophobicContact CG-CD1 4.35Å; K368-Y412 HydrophobicContact CG-CE1 4.33Å; K368-V416 HydrophobicContact CB-CG1 4.48Å; K368-V416 HydrophobicContact CG-CG1 4.04Å; K368-V416 HydrophobicContact CG-CG2 3.98Å; K368-V416 WeakPolarHBondContact O-CG1 3.13Å
369T86.8Confident87.9Confident32 Ų3221.2 Ų21.220%0.19611%0.112CC..Hα-helixtrans-71.1-31.8-177.952.80000114.1R265 I266 Q315 W367 V372 S373R265-T369 WeakPolarHBondContact O-CG2 3.07Å; I266-T369 HydrophobicContact CB-CG2 4.46Å; I266-T369 HydrophobicContact CG2-CG2 4.43Å; I266-T369 PolarHBondContact O-N 3.37Å; I266-T369 PolarHBondContact O-OG1 2.92Å; Q315-T369 PolarHBondContact NE2-OG1 3.27Å; Q315-T369 VanDerWaalsContact NE2-OG1 3.15Å; Q315-T369 PolarHBondContact OE1-OG1 3.14Å; W367-T369 VanDerWaalsContact CD1-OG1 3.24Å; W367-T369 PolarHBondContact NE1-OG1 3.01Å; W367-T369 PolarHBondContact O-N 2.81Å; T369-V372 PolarHBondContact O-N 2.76Å; T369-S373 WeakPolarHBondContact O-CB 3.31Å; T369-S373 PolarHBondContact O-N 3.18Å; T369-S373 PolarHBondContact O-OG 3.03Å
370C89.8Confident87.6Confident0 Ų021.5 Ų21.50%011%0.114CC..Hα-helixtrans-63.9-43.1175.2-99.60000111.6L366 W367 K368 V372 S373 V374L366-C370 HydrophobicContact CB-CB 4.2Å; L366-C370 HydrophobicContact CD2-CB 4.32Å; W367-C370 HydrophobicContact CD2-CB 4.04Å; W367-C370 HydrophobicContact CG-CB 4.28Å; W367-C370 VanDerWaalsContact CH2-SG 3.51Å; W367-C370 HydrophobicContact CZ2-CB 4.22Å; W367-C370 WeakPolarHBondContact CZ2-SG 3.49Å; W367-C370 WeakPolarHBondContact O-CB 3.45Å; W367-C370 PolarHBondContact O-N 3.36Å; K368-C370 PolarHBondContact O-N 3.21Å; C370-V372 PolarHBondContact O-N 3.23Å; C370-S373 WeakPolarHBondContact O-CB 3.05Å; C370-S373 PolarHBondContact O-N 3.49Å; C370-S373 VanDerWaalsContact O-N 3.12Å; C370-V374 WeakPolarHBondContact O-CG2 3.29Å; C370-V374 PolarHBondContact O-N 3.48Å
371R90Very high87.6Confident4 Ų421.5 Ų21.52%0.01511%0.114CC..Hα-helixtrans-59.4-46.9175.7-65.3174.6177-156.85.6111.4D363 L366 W367 K368 S373 V374 Q375 D410 Y412 V416D363-R371 VanDerWaalsContact O-CZ 3.26Å; D363-R371 PolarHBondContact O-NE 3.34Å; D363-R371 PolarHBondContact O-NH2 2.71Å; L366-R371 HydrophobicContact CB-CG 3.53Å; L366-R371 HydrophobicContact CD1-CG 4.33Å; L366-R371 PolarHBondContact O-NE 3.26Å; W367-R371 PolarHBondContact O-N 3.45Å; K368-R371 PolarHBondContact O-N 3.45Å; R371-S373 VanDerWaalsContact C-N 3.28Å; R371-S373 PolarHBondContact O-N 3.4Å; R371-V374 PolarHBondContact O-N 3.17Å; R371-Q375 WeakPolarHBondContact O-CG 3.29Å; R371-Q375 PolarHBondContact O-N 3.35Å; R371-D410 IonicContact CZ-OD1 3.86Å; R371-D410 IonicContact CZ-OD2 3.98Å; R371-D410 IonicContact NH1-OD1 3.87Å; R371-D410 PolarHBondContact NH1-OD1 3.17Å; R371-D410 IonicContact NH1-OD2 3.48Å; R371-D410 PolarHBondContact NH1-OD2 3.08Å; R371-D410 IonicContact NH2-OD1 2.91Å; R371-D410 PolarHBondContact NH2-OD1 3.49Å; R371-D410 IonicContact NH2-OD2 3.07Å; R371-Y412 VanDerWaalsContact CZ-CD2 3.45Å; R371-Y412 VanDerWaalsContact NH2-CD2 3.35Å; R371-V416 HydrophobicContact CB-CG1 3.64Å; R371-V416 WeakPolarHBondContact CB-O 3.27Å; R371-V416 HydrophobicContact CG-CG1 4.24Å
372V85.6Confident87.7Confident39 Ų3920.8 Ų20.824%0.23611%0.11CC..Hα-helixtrans-59.3-39.5174.1175.70000111.7K368 T369 C370 Q375 R376 V416K368-V372 WeakPolarHBondContact O-CG2 3.33Å; K368-V372 PolarHBondContact O-N 3.48Å; T369-V372 PolarHBondContact O-N 2.76Å; C370-V372 PolarHBondContact O-N 3.23Å; V372-Q375 PolarHBondContact O-N 3.37Å; V372-R376 WeakPolarHBondContact O-CB 3.1Å; V372-R376 PolarHBondContact O-N 3.16Å; V372-V416 HydrophobicContact CG2-CG1 4.48Å
373S88.9Confident87.6Confident2 Ų220.3 Ų20.31%0.01411%0.106CC..Hα-helixtrans-66.2-40.2177.9-52.50000112D319 T369 C370 R371 R376 L377D319-S373 PolarHBondContact OD1-OG 3.26Å; T369-S373 WeakPolarHBondContact O-CB 3.31Å; T369-S373 PolarHBondContact O-N 3.18Å; T369-S373 PolarHBondContact O-OG 3.03Å; C370-S373 WeakPolarHBondContact O-CB 3.05Å; C370-S373 PolarHBondContact O-N 3.49Å; C370-S373 VanDerWaalsContact O-N 3.12Å; R371-S373 VanDerWaalsContact C-N 3.28Å; R371-S373 PolarHBondContact O-N 3.4Å; S373-R376 PolarHBondContact O-N 3.38Å; S373-L377 PolarHBondContact O-N 2.99Å
374V91Very high87.4Confident0 Ų023.8 Ų23.80%012%0.12CC..Hα-helixtrans-64.6-47.2174.1169.50000110.8L318 L359 L366 C370 R371 R376 L377 I378L318-V374 HydrophobicContact CD1-CG2 3.93Å; L359-V374 HydrophobicContact CB-CG1 3.92Å; L366-V374 HydrophobicContact CD1-CG2 3.98Å; C370-V374 WeakPolarHBondContact O-CG2 3.29Å; C370-V374 PolarHBondContact O-N 3.48Å; R371-V374 PolarHBondContact O-N 3.17Å; V374-R376 VanDerWaalsContact C-N 3.29Å; V374-R376 PolarHBondContact O-N 2.93Å; V374-L377 WeakPolarHBondContact O-CB 3.31Å; V374-L377 PolarHBondContact O-N 3.17Å; V374-L377 VanDerWaalsContact O-N 3.16Å; V374-I378 WeakPolarHBondContact O-CG1 3.36Å; V374-I378 PolarHBondContact O-N 3.48Å
375Q88.9Confident87.2Confident2 Ų222.1 Ų22.11%0.00910%0.103CC..Hα-helixtrans-57.2-45175-69.6177.63.900111R371 V372 L377 I378 M379 V415 V416 C417 M421R371-Q375 WeakPolarHBondContact O-CG 3.29Å; R371-Q375 PolarHBondContact O-N 3.35Å; V372-Q375 PolarHBondContact O-N 3.37Å; Q375-L377 VanDerWaalsContact C-N 3.34Å; Q375-L377 PolarHBondContact O-N 3.24Å; Q375-I378 PolarHBondContact O-N 3.29Å; Q375-M379 HydrophobicContact CB-CE 4.08Å; Q375-M379 WeakPolarHBondContact O-CB 3.37Å; Q375-M379 WeakPolarHBondContact O-CG 3.05Å; Q375-M379 PolarHBondContact O-N 2.82Å; Q375-V415 PolarHBondContact NE2-O 3.47Å; Q375-V416 PolarHBondContact NE2-O 3.21Å; Q375-C417 PolarHBondContact NE2-O 2.7Å; Q375-M421 HydrophobicContact CB-SD 4.27Å; Q375-M421 HydrophobicContact CG-CG 4.13Å; Q375-M421 HydrophobicContact CG-SD 4.02Å
376R86.1Confident86.9Confident72 Ų7220.9 Ų20.927%0.27211%0.113SC..Hα-helixtrans-61.9-38.9176.5-170-177.9-68.2136.2-0.4112.3D319 V372 S373 V374 M379 S380D319-R376 IonicContact OD1-NH1 3.23Å; D319-R376 PolarHBondContact OD1-NH1 2.93Å; V372-R376 WeakPolarHBondContact O-CB 3.1Å; V372-R376 PolarHBondContact O-N 3.16Å; S373-R376 PolarHBondContact O-N 3.38Å; V374-R376 VanDerWaalsContact C-N 3.29Å; V374-R376 PolarHBondContact O-N 2.93Å; R376-M379 PolarHBondContact O-N 3.31Å; R376-S380 VanDerWaalsContact O-CB 3.26Å; R376-S380 WeakPolarHBondContact O-CB 3.45Å; R376-S380 PolarHBondContact O-N 3.22Å; R376-S380 PolarHBondContact O-OG 3.4Å
377L91.4Very high86.6Confident0 Ų029 Ų290%014%0.143CC..Hα-helixtrans-60.3-51.3172.817668.8000110.9L201 L318 I321 S322 L340 L359 S373 V374 Q375 M379 S380 T381L201-L377 HydrophobicContact CD2-CD2 3.95Å; L318-L377 HydrophobicContact CD2-CB 4.23Å; L318-L377 HydrophobicContact CD2-CD2 3.61Å; L318-L377 HydrophobicContact CD2-CG 4.39Å; I321-L377 HydrophobicContact CG2-CD1 3.72Å; S322-L377 VanDerWaalsContact OG-CA 3.3Å; S322-L377 WeakPolarHBondContact OG-CA 3.39Å; S322-L377 PolarHBondContact OG-N 2.84Å; L340-L377 HydrophobicContact CD1-CG 4.4Å; L340-L377 HydrophobicContact CD2-CD2 4.2Å; L359-L377 HydrophobicContact CD1-CD2 4.37Å; S373-L377 PolarHBondContact O-N 2.99Å; V374-L377 WeakPolarHBondContact O-CB 3.31Å; V374-L377 PolarHBondContact O-N 3.17Å; V374-L377 VanDerWaalsContact O-N 3.16Å; Q375-L377 VanDerWaalsContact C-N 3.34Å; Q375-L377 PolarHBondContact O-N 3.24Å; L377-M379 VanDerWaalsContact C-N 3.29Å; L377-M379 PolarHBondContact O-N 2.95Å; L377-S380 PolarHBondContact O-N 2.91Å; L377-S380 PolarHBondContact O-OG 3.23Å; L377-S380 VanDerWaalsContact O-OG 3.11Å; L377-T381 HydrophobicContact CD1-CG2 4.05Å; L377-T381 WeakPolarHBondContact O-CB 3.18Å; L377-T381 WeakPolarHBondContact O-CG2 3.43Å; L377-T381 PolarHBondContact O-N 2.79Å; L377-T381 PolarHBondContact O-OG1 3.45Å
378I91.3Very high86.5Confident0 Ų029.4 Ų29.40%015%0.146CC..Hα-helixtrans-61.5-41.1-179.7-62.4-65.9000110.8A356 L360 V374 Q375 T381 L382 L383 F392 M421A356-I378 HydrophobicContact CB-CD1 3.89Å; L360-I378 HydrophobicContact CD2-CG1 4.4Å; V374-I378 WeakPolarHBondContact O-CG1 3.36Å; V374-I378 PolarHBondContact O-N 3.48Å; Q375-I378 PolarHBondContact O-N 3.29Å; I378-T381 PolarHBondContact O-N 2.57Å; I378-L382 HydrophobicContact CD1-CD1 3.82Å; I378-L382 HydrophobicContact CG2-CB 4.3Å; I378-L382 HydrophobicContact CG2-CD1 4.31Å; I378-L382 PolarHBondContact O-N 3.38Å; I378-L383 HydrophobicContact CG2-CG 4.48Å; I378-L383 PolarHBondContact O-N 3.12Å; I378-F392 HydrophobicContact CG2-CD2 4.45Å; I378-F392 HydrophobicContact CG2-CE1 3.86Å; I378-F392 HydrophobicContact CG2-CE2 3.78Å; I378-F392 HydrophobicContact CG2-CZ 3.44Å; I378-F392 VanDerWaalsContact CG2-CZ 3.44Å; I378-M421 HydrophobicContact CB-CE 3.77Å; I378-M421 HydrophobicContact CB-SD 4.32Å; I378-M421 HydrophobicContact CG2-CE 3.33Å; I378-M421 HydrophobicContact CG2-SD 4.2Å
379M85.2Confident86.6Confident17 Ų1729.7 Ų29.78%0.08415%0.147CC..Hα-helixtrans-68.3-43.5179.6-69.2169.5-171.100112.8Y151 Q375 R376 L377 T381 L383 K384 M421 Q424Y151-M379 HydrophobicContact CE2-CB 3.49Å; Y151-M379 VanDerWaalsContact CE2-CB 3.49Å; Y151-M379 HydrophobicContact CE2-CG 3.99Å; Y151-M379 HydrophobicContact CE2-SD 3.76Å; Y151-M379 WeakPolarHBondContact OH-CB 3.43Å; Q375-M379 HydrophobicContact CB-CE 4.08Å; Q375-M379 WeakPolarHBondContact O-CB 3.37Å; Q375-M379 WeakPolarHBondContact O-CG 3.05Å; Q375-M379 PolarHBondContact O-N 2.82Å; R376-M379 PolarHBondContact O-N 3.31Å; L377-M379 VanDerWaalsContact C-N 3.29Å; L377-M379 PolarHBondContact O-N 2.95Å; M379-T381 PolarHBondContact O-N 2.83Å; M379-L383 HydrophobicContact CB-CD1 4.41Å; M379-L383 HydrophobicContact CG-CD1 3.89Å; M379-K384 PolarHBondContact O-N 3.36Å; M379-M421 HydrophobicContact CE-CE 4.34Å; M379-M421 HydrophobicContact CE-CG 4.34Å; M379-M421 HydrophobicContact CG-CE 3.98Å; M379-Q424 HydrophobicContact CE-CG 4.1Å
380S84.4Confident86.7Confident8 Ų833.5 Ų33.56%0.05616%0.161CC..Hα-helixtrans-73.3-13.8178.761.40000113.7R376 L377 K384R376-S380 VanDerWaalsContact O-CB 3.26Å; R376-S380 WeakPolarHBondContact O-CB 3.45Å; R376-S380 PolarHBondContact O-N 3.22Å; R376-S380 PolarHBondContact O-OG 3.4Å; L377-S380 PolarHBondContact O-N 2.91Å; L377-S380 PolarHBondContact O-OG 3.23Å; L377-S380 VanDerWaalsContact O-OG 3.11Å; S380-K384 WeakPolarHBondContact O-CB 3.32Å; S380-K384 VanDerWaalsContact O-CD 3.25Å; S380-K384 WeakPolarHBondContact O-CD 3.48Å
381T90.2Very high86.7Confident0 Ų039 Ų390%018%0.184CC..THydrogen-bonded Turntrans-113.7-86.3179.559.60000112.3L326 L333 F336 C337 L340 L377 I378 M379 L383 K384 E385L326-T381 HydrophobicContact CD1-CG2 3.5Å; L333-T381 HydrophobicContact CD1-CG2 4.4Å; F336-T381 HydrophobicContact CB-CG2 3.87Å; F336-T381 HydrophobicContact CG-CG2 4.44Å; C337-T381 PolarHBondContact SG-O 2.75Å; C337-T381 VanDerWaalsContact SG-O 3.36Å; L340-T381 HydrophobicContact CD1-CG2 4.26Å; L340-T381 VanDerWaalsContact CD1-OG1 3.24Å; L340-T381 WeakPolarHBondContact CD1-OG1 3.49Å; L377-T381 HydrophobicContact CD1-CG2 4.05Å; L377-T381 WeakPolarHBondContact O-CB 3.18Å; L377-T381 WeakPolarHBondContact O-CG2 3.43Å; L377-T381 PolarHBondContact O-N 2.79Å; L377-T381 PolarHBondContact O-OG1 3.45Å; I378-T381 PolarHBondContact O-N 2.57Å; M379-T381 PolarHBondContact O-N 2.83Å; T381-L383 VanDerWaalsContact C-N 3.32Å; T381-L383 PolarHBondContact O-N 3.11Å; T381-K384 WeakPolarHBondContact O-CB 3.24Å; T381-K384 PolarHBondContact O-N 3.29Å; T381-E385 PolarHBondContact O-N 3.03Å
382L90.2Very high86.9Confident0 Ų038.8 Ų38.80%018%0.184CC..THydrogen-bonded Turntrans-60.8-38.2-171.3-59.5-175.2000112.8C337 L340 M341 A356 I378 S388 R389 F392C337-L382 HydrophobicContact CB-CD2 3.94Å; L340-L382 HydrophobicContact CB-CD1 4.29Å; L340-L382 HydrophobicContact CB-CD2 4.03Å; L340-L382 HydrophobicContact CB-CG 4.4Å; L340-L382 HydrophobicContact CD1-CD2 4.35Å; L340-L382 HydrophobicContact CD1-CG 4.2Å; M341-L382 HydrophobicContact CG-CD1 4.26Å; M341-L382 HydrophobicContact CG-CD2 3.56Å; M341-L382 HydrophobicContact SD-CD1 3.83Å; M341-L382 HydrophobicContact SD-CD2 4.18Å; A356-L382 HydrophobicContact CB-CD1 3.68Å; I378-L382 HydrophobicContact CD1-CD1 3.82Å; I378-L382 HydrophobicContact CG2-CB 4.3Å; I378-L382 HydrophobicContact CG2-CD1 4.31Å; I378-L382 PolarHBondContact O-N 3.38Å; L382-S388 CarbonylContact O-C 3.58Å; L382-R389 WeakPolarHBondContact O-CA 3.31Å; L382-R389 WeakPolarHBondContact O-CB 3.35Å; L382-R389 PolarHBondContact O-N 2.65Å; L382-F392 HydrophobicContact CB-CB 4.05Å; L382-F392 HydrophobicContact CB-CD2 4.25Å; L382-F392 HydrophobicContact CB-CG 4.02Å; L382-F392 HydrophobicContact CD1-CB 4.31Å; L382-F392 HydrophobicContact CD1-CD2 3.38Å; L382-F392 HydrophobicContact CD1-CE2 3.92Å; L382-F392 HydrophobicContact CD1-CG 4Å; L382-F392 HydrophobicContact CG-CD2 4.44Å
383L86.4Confident87.3Confident8 Ų837 Ų374%0.04217%0.173CC..THydrogen-bonded Turntrans-83.5-10.1176.5-59.2176.3000112.8I378 M379 T381 R389 F392 M421 Q424 V425I378-L383 HydrophobicContact CG2-CG 4.48Å; I378-L383 PolarHBondContact O-N 3.12Å; M379-L383 HydrophobicContact CB-CD1 4.41Å; M379-L383 HydrophobicContact CG-CD1 3.89Å; T381-L383 VanDerWaalsContact C-N 3.32Å; T381-L383 PolarHBondContact O-N 3.11Å; L383-R389 HydrophobicContact CD2-CG 4.02Å; L383-R389 PolarHBondContact O-NE 3.45Å; L383-R389 PolarHBondContact O-NH2 3.5Å; L383-F392 HydrophobicContact CD2-CD1 3.52Å; L383-F392 HydrophobicContact CD2-CE1 3.82Å; L383-F392 HydrophobicContact CG-CD1 4.24Å; L383-F392 HydrophobicContact CG-CE1 4.28Å; L383-M421 HydrophobicContact CD1-CE 3.67Å; L383-Q424 HydrophobicContact CD1-CB 3.72Å; L383-V425 HydrophobicContact CD2-CG2 4.05Å
384K79.1Confident87.5Confident78 Ų7838 Ų3834%0.33918%0.179SC..THydrogen-bonded Turntrans-83.6-38.1178.6-168.3174.2179.8179.30112.4L333 M379 S380 T381L333-K384 HydrophobicContact CD1-CB 4.47Å; L333-K384 HydrophobicContact CD1-CD 4.49Å; L333-K384 HydrophobicContact CD2-CB 4.4Å; L333-K384 HydrophobicContact CD2-CD 4.03Å; L333-K384 HydrophobicContact CD2-CG 4.14Å; M379-K384 PolarHBondContact O-N 3.36Å; S380-K384 WeakPolarHBondContact O-CB 3.32Å; S380-K384 VanDerWaalsContact O-CD 3.25Å; S380-K384 WeakPolarHBondContact O-CD 3.48Å; T381-K384 WeakPolarHBondContact O-CB 3.24Å; T381-K384 PolarHBondContact O-N 3.29Å
385E77.4Confident87.6Confident49 Ų4939.5 Ų39.523%0.22919%0.187CC..SBendtrans-91.5125.4-178.3-171.2-152.3160.900111.9L333 C337 T381 R387 S388 R389L333-E385 HydrophobicContact CD2-CB 4.44Å; C337-E385 WeakPolarHBondContact CB-OE2 3.39Å; T381-E385 PolarHBondContact O-N 3.03Å; E385-R387 PolarHBondContact O-N 3.21Å; E385-S388 PolarHBondContact O-N 3.18Å; E385-S388 VanDerWaalsContact OE2-CB 3.3Å; E385-S388 WeakPolarHBondContact OE2-CB 3.44Å; E385-S388 PolarHBondContact OE2-OG 2.77Å; E385-R389 VanDerWaalsContact O-CB 3.26Å; E385-R389 WeakPolarHBondContact O-CB 3.38Å; E385-R389 PolarHBondContact O-N 3.47Å
386A77.7Confident87.9Confident83 Ų8339.4 Ų39.469%0.68619%0.186SC*.Hα-helixtrans-56.5-42-173.800000114.9K390A386-K390 PolarHBondContact O-N 3.44Å
387R82.1Confident88.4Confident176 Ų17636.2 Ų36.266%0.66417%0.174SC*.Hα-helixtrans-68.3-44.6-179.8-173.5-178.7-174.4-178.60.6111.4E385 K391E385-R387 PolarHBondContact O-N 3.21Å; R387-K391 PolarHBondContact O-N 2.88Å
388S86.4Confident88.5Confident11 Ų1143 Ų438%0.07720%0.204CC..Hα-helixtrans-70.4-36.7178.2-65.60000111.6C337 L382 E385 K390 K391 F392C337-S388 WeakPolarHBondContact CB-OG 3.32Å; L382-S388 CarbonylContact O-C 3.58Å; E385-S388 PolarHBondContact O-N 3.18Å; E385-S388 VanDerWaalsContact OE2-CB 3.3Å; E385-S388 WeakPolarHBondContact OE2-CB 3.44Å; E385-S388 PolarHBondContact OE2-OG 2.77Å; S388-K390 PolarHBondContact O-N 2.91Å; S388-K391 PolarHBondContact O-N 2.99Å; S388-F392 VanDerWaalsContact O-CB 3.29Å; S388-F392 WeakPolarHBondContact O-CB 3.5Å; S388-F392 PolarHBondContact O-N 2.83Å
389R89.3Confident88.6Confident42 Ų4243.7 Ų43.716%0.15821%0.207CC..Hα-helixtrans-55.1-52.6174.7-171.2-170.7-78.7-169.3-9.7109.9D156 L382 L383 E385 K391 F392 S393 I431D156-R389 IonicContact OD2-NH1 3.4Å; L382-R389 WeakPolarHBondContact O-CA 3.31Å; L382-R389 WeakPolarHBondContact O-CB 3.35Å; L382-R389 PolarHBondContact O-N 2.65Å; L383-R389 HydrophobicContact CD2-CG 4.02Å; L383-R389 PolarHBondContact O-NE 3.45Å; L383-R389 PolarHBondContact O-NH2 3.5Å; E385-R389 VanDerWaalsContact O-CB 3.26Å; E385-R389 WeakPolarHBondContact O-CB 3.38Å; E385-R389 PolarHBondContact O-N 3.47Å; R389-K391 PolarHBondContact O-N 3.23Å; R389-F392 PolarHBondContact O-N 3.11Å; R389-S393 PolarHBondContact O-N 2.9Å; R389-S393 PolarHBondContact O-OG 3.43Å; R389-I431 HydrophobicContact CB-CD1 4.46Å; R389-I431 VanDerWaalsContact CD-CD1 3.45Å; R389-I431 HydrophobicContact CG-CD1 3.53Å
390K88.3Confident89.1Confident113 Ų11342.9 Ų42.949%0.49120%0.204SC..Hα-helixtrans-58.2-42.8178.1-173.8174.6-177.6173.40113.1A386 S388 V394A386-K390 PolarHBondContact O-N 3.44Å; S388-K390 PolarHBondContact O-N 2.91Å; K390-V394 PolarHBondContact O-N 3.22Å
391K90.3Very high89.5Confident114 Ų11444.3 Ų44.350%0.49621%0.213SC..Hα-helixtrans-67.8-43.3177.7-69.4-178.8180178.90111.6M341 R387 S388 R389 V394 L395M341-K391 HydrophobicContact CE-CB 3.96Å; R387-K391 PolarHBondContact O-N 2.88Å; S388-K391 PolarHBondContact O-N 2.99Å; R389-K391 PolarHBondContact O-N 3.23Å; K391-V394 PolarHBondContact O-N 2.66Å; K391-L395 PolarHBondContact O-N 2.85Å
392F93.6Very high89.6Confident0 Ų047.7 Ų47.70%023%0.228CC..Hα-helixtrans-63.5-41.1177.8175.8-101.4000111.4M341 L360 I378 L382 L383 S388 R389 V394 L395 F396 M421 V425M341-F392 HydrophobicContact SD-CB 4.29Å; M341-F392 HydrophobicContact SD-CD2 4.29Å; L360-F392 HydrophobicContact CD1-CE2 3.66Å; L360-F392 HydrophobicContact CD1-CZ 3.79Å; I378-F392 HydrophobicContact CG2-CD2 4.45Å; I378-F392 HydrophobicContact CG2-CE1 3.86Å; I378-F392 HydrophobicContact CG2-CE2 3.78Å; I378-F392 HydrophobicContact CG2-CZ 3.44Å; I378-F392 VanDerWaalsContact CG2-CZ 3.44Å; L382-F392 HydrophobicContact CB-CB 4.05Å; L382-F392 HydrophobicContact CB-CD2 4.25Å; L382-F392 HydrophobicContact CB-CG 4.02Å; L382-F392 HydrophobicContact CD1-CB 4.31Å; L382-F392 HydrophobicContact CD1-CD2 3.38Å; L382-F392 HydrophobicContact CD1-CE2 3.92Å; L382-F392 HydrophobicContact CD1-CG 4Å; L382-F392 HydrophobicContact CG-CD2 4.44Å; L383-F392 HydrophobicContact CD2-CD1 3.52Å; L383-F392 HydrophobicContact CD2-CE1 3.82Å; L383-F392 HydrophobicContact CG-CD1 4.24Å; L383-F392 HydrophobicContact CG-CE1 4.28Å; S388-F392 VanDerWaalsContact O-CB 3.29Å; S388-F392 WeakPolarHBondContact O-CB 3.5Å; S388-F392 PolarHBondContact O-N 2.83Å; R389-F392 PolarHBondContact O-N 3.11Å; F392-V394 VanDerWaalsContact C-N 3.27Å; F392-V394 PolarHBondContact O-N 3Å; F392-L395 HydrophobicContact CD2-CD2 4.39Å; F392-L395 CarbonylContact O-C 3.46Å; F392-L395 WeakPolarHBondContact O-CA 3.37Å; F392-L395 WeakPolarHBondContact O-CB 3.47Å; F392-L395 PolarHBondContact O-N 2.97Å; F392-F396 HydrophobicContact CE1-CB 4.22Å; F392-F396 HydrophobicContact CE1-CD2 4.29Å; F392-F396 HydrophobicContact CZ-CB 4.29Å; F392-F396 AromaticContact CZ-CD2 4Å; F392-F396 HydrophobicContact CZ-CD2 4Å; F392-F396 WeakPolarHBondContact O-CB 3.47Å; F392-F396 PolarHBondContact O-N 2.74Å; F392-M421 HydrophobicContact CE1-CE 4.44Å; F392-M421 HydrophobicContact CZ-CE 4.39Å; F392-V425 HydrophobicContact CD1-CG2 4.33Å; F392-V425 HydrophobicContact CE1-CG2 3.95Å
393S94Very high89.8Confident1 Ų147.9 Ų47.91%0.00723%0.229CC..Hα-helixtrans-59.6-37.4176.8-52.80000112.8R389 L397 I431R389-S393 PolarHBondContact O-N 2.9Å; R389-S393 PolarHBondContact O-OG 3.43Å; S393-L397 WeakPolarHBondContact O-CB 3.42Å; S393-L397 PolarHBondContact O-N 3.44Å; S393-I431 VanDerWaalsContact CB-CG2 3.43Å; S393-I431 WeakPolarHBondContact OG-CG2 3.19Å
394V94.3Very high90Very high23 Ų2347.5 Ų47.514%0.13923%0.228CC..Hα-helixtrans-69.9-39.9174.2175.20000111.2K390 K391 F392 K398 L435 H439K390-V394 PolarHBondContact O-N 3.22Å; K391-V394 PolarHBondContact O-N 2.66Å; F392-V394 VanDerWaalsContact C-N 3.27Å; F392-V394 PolarHBondContact O-N 3Å; V394-K398 WeakPolarHBondContact O-CG 3.21Å; V394-K398 PolarHBondContact O-N 3.41Å; V394-L435 HydrophobicContact CG2-CD2 4.05Å; V394-H439 WeakPolarHBondContact CG2-NE2 3.2Å
395L93.3Very high90.4Very high32 Ų3246 Ų4617%0.16822%0.223CC..Hα-helixtrans-62.8-49.7174.3174.766000111.2M341 C354 A357 K391 F392 L397 K398 L399M341-L395 HydrophobicContact CE-CB 4.21Å; M341-L395 HydrophobicContact CE-CD2 3.87Å; M341-L395 HydrophobicContact SD-CD2 3.84Å; C354-L395 WeakPolarHBondContact SG-CD2 3.07Å; A357-L395 HydrophobicContact CB-CD1 4.29Å; A357-L395 HydrophobicContact CB-CD2 4.34Å; K391-L395 PolarHBondContact O-N 2.85Å; F392-L395 HydrophobicContact CD2-CD2 4.39Å; F392-L395 CarbonylContact O-C 3.46Å; F392-L395 WeakPolarHBondContact O-CA 3.37Å; F392-L395 WeakPolarHBondContact O-CB 3.47Å; F392-L395 PolarHBondContact O-N 2.97Å; L395-L397 VanDerWaalsContact C-N 3.31Å; L395-L397 PolarHBondContact O-N 3.45Å; L395-K398 WeakPolarHBondContact O-CA 3.03Å; L395-K398 WeakPolarHBondContact O-CB 3.35Å; L395-K398 PolarHBondContact O-N 2.93Å; L395-L399 HydrophobicContact CD1-CD1 4.09Å; L395-L399 HydrophobicContact CD1-CG 4.17Å; L395-L399 HydrophobicContact CG-CD1 3.94Å; L395-L399 HydrophobicContact CG-CG 4.38Å; L395-L399 WeakPolarHBondContact O-CG 3.37Å; L395-L399 PolarHBondContact O-N 2.89Å
396F95.2Very high90.9Very high0 Ų045.3 Ų45.30%022%0.221CC..Hα-helixtrans-56.3-45.5178.4-173.9-93.2000111.1F392 K398 L399 Y400 L403 M421 V425 F426F392-F396 HydrophobicContact CE1-CB 4.22Å; F392-F396 HydrophobicContact CE1-CD2 4.29Å; F392-F396 HydrophobicContact CZ-CB 4.29Å; F392-F396 AromaticContact CZ-CD2 4Å; F392-F396 HydrophobicContact CZ-CD2 4Å; F392-F396 WeakPolarHBondContact O-CB 3.47Å; F392-F396 PolarHBondContact O-N 2.74Å; F396-K398 VanDerWaalsContact C-N 3.32Å; F396-K398 PolarHBondContact O-N 3.04Å; F396-L399 CarbonylContact O-C 3.57Å; F396-L399 PolarHBondContact O-N 3.42Å; F396-L399 VanDerWaalsContact O-N 3.17Å; F396-Y400 HydrophobicContact CE1-CD2 4.22Å; F396-Y400 PolarHBondContact O-N 2.66Å; F396-L403 HydrophobicContact CD2-CD1 3.99Å; F396-L403 HydrophobicContact CE2-CD1 3.6Å; F396-L403 HydrophobicContact CZ-CD1 4.09Å; F396-M421 HydrophobicContact CE2-CB 3.88Å; F396-M421 HydrophobicContact CZ-CB 4.19Å; F396-V425 HydrophobicContact CD1-CB 4.45Å; F396-V425 HydrophobicContact CD1-CG1 4.34Å; F396-V425 HydrophobicContact CD1-CG2 4.37Å; F396-V425 HydrophobicContact CG-CG2 4.38Å; F396-F426 HydrophobicContact CD1-CE1 4.2Å; F396-F426 HydrophobicContact CD1-CZ 4.03Å; F396-F426 HydrophobicContact CE1-CE2 4.41Å; F396-F426 HydrophobicContact CE1-CZ 4.02Å
397L95.4Very high91.3Very high5 Ų541.9 Ų41.93%0.02619%0.19CC..Hα-helixtrans-59-41174.5-179.564.3000112.3S393 L395 L399 Y400 F426 L435 H439 A441 H444 I445S393-L397 WeakPolarHBondContact O-CB 3.42Å; S393-L397 PolarHBondContact O-N 3.44Å; L395-L397 VanDerWaalsContact C-N 3.31Å; L395-L397 PolarHBondContact O-N 3.45Å; L397-L399 VanDerWaalsContact C-N 3.34Å; L397-Y400 WeakPolarHBondContact O-CB 3.36Å; L397-Y400 PolarHBondContact O-N 2.95Å; L397-F426 HydrophobicContact CD1-CZ 4.37Å; L397-L435 HydrophobicContact CB-CD2 4.49Å; L397-L435 HydrophobicContact CD2-CD2 4.02Å; L397-H439 HydrophobicContact CD2-CB 3.74Å; L397-A441 HydrophobicContact CD1-CB 4.06Å; L397-A441 HydrophobicContact CD2-CB 3.77Å; L397-H444 HydrophobicContact CD1-CB 4.34Å; L397-H444 PolarHBondContact O-CD2 3.3Å; L397-H444 PolarHBondContact O-NE2 3.16Å; L397-H444 VanDerWaalsContact O-NE2 3.07Å; L397-I445 HydrophobicContact CD1-CD1 4.24Å; L397-I445 HydrophobicContact CD1-CG1 4.08Å
398K94Very high91.3Very high143 Ų14334.8 Ų34.862%0.62217%0.165SC*.Hα-helixtrans-68.3-32.3177.2-71.8175179.4-177.90113.2V394 L395 F396 Y400V394-K398 WeakPolarHBondContact O-CG 3.21Å; V394-K398 PolarHBondContact O-N 3.41Å; L395-K398 WeakPolarHBondContact O-CA 3.03Å; L395-K398 WeakPolarHBondContact O-CB 3.35Å; L395-K398 PolarHBondContact O-N 2.93Å; F396-K398 VanDerWaalsContact C-N 3.32Å; F396-K398 PolarHBondContact O-N 3.04Å; K398-Y400 VanDerWaalsContact C-N 3.32Å
399L94Very high90.9Very high14 Ų1441 Ų417%0.07320%0.197CC..Hα-helixtrans-80.6-15.9176.9-64.2175.7000112.3A357 T361 L395 F396 L397 P401 E402 L403A357-L399 HydrophobicContact CB-CD1 3.66Å; A357-L399 HydrophobicContact CB-CD2 4.16Å; A357-L399 HydrophobicContact CB-CG 4.49Å; T361-L399 HydrophobicContact CG2-CD1 4.47Å; T361-L399 HydrophobicContact CG2-CD2 4.07Å; L395-L399 HydrophobicContact CD1-CD1 4.09Å; L395-L399 HydrophobicContact CD1-CG 4.17Å; L395-L399 HydrophobicContact CG-CD1 3.94Å; L395-L399 HydrophobicContact CG-CG 4.38Å; L395-L399 WeakPolarHBondContact O-CG 3.37Å; L395-L399 PolarHBondContact O-N 2.89Å; F396-L399 CarbonylContact O-C 3.57Å; F396-L399 PolarHBondContact O-N 3.42Å; F396-L399 VanDerWaalsContact O-N 3.17Å; L397-L399 VanDerWaalsContact C-N 3.34Å; L399-P401 VanDerWaalsContact C-CD 3.45Å; L399-E402 WeakPolarHBondContact O-CB 3.45Å; L399-E402 PolarHBondContact O-N 2.75Å; L399-L403 HydrophobicContact CB-CD1 4.11Å; L399-L403 HydrophobicContact CB-CG 4.16Å; L399-L403 WeakPolarHBondContact O-CG 3.48Å; L399-L403 PolarHBondContact O-N 3.17Å
400Y95.2Very high90.3Very high0 Ų039.7 Ų39.70%019%0.193CC..Hα-helixtrans-49.5-44.8-173.2-168.9-80.6000114.4F396 L397 K398 E402 L403 L404 I419 F426 I445 C480 D483F396-Y400 HydrophobicContact CE1-CD2 4.22Å; F396-Y400 PolarHBondContact O-N 2.66Å; L397-Y400 WeakPolarHBondContact O-CB 3.36Å; L397-Y400 PolarHBondContact O-N 2.95Å; K398-Y400 VanDerWaalsContact C-N 3.32Å; Y400-E402 VanDerWaalsContact C-N 3.32Å; Y400-E402 PolarHBondContact O-N 3.01Å; Y400-L403 PolarHBondContact O-N 3.37Å; Y400-L404 WeakPolarHBondContact O-CB 3.33Å; Y400-L404 PolarHBondContact O-N 3.4Å; Y400-I419 HydrophobicContact CE2-CD1 4.22Å; Y400-I419 HydrophobicContact CE2-CG1 4.21Å; Y400-F426 HydrophobicContact CD2-CE2 4.12Å; Y400-F426 HydrophobicContact CD2-CZ 4.1Å; Y400-F426 AromaticContact CE2-CE2 3.9Å; Y400-F426 HydrophobicContact CE2-CE2 3.9Å; Y400-F426 HydrophobicContact CE2-CZ 4.35Å; Y400-I445 HydrophobicContact CD1-CG1 4.07Å; Y400-I445 HydrophobicContact CD1-CG2 4.42Å; Y400-I445 HydrophobicContact CE1-CB 4.32Å; Y400-I445 HydrophobicContact CE1-CG1 4.08Å; Y400-I445 HydrophobicContact CE1-CG2 3.69Å; Y400-I445 HydrophobicContact CE2-CD1 4.47Å; Y400-I445 HydrophobicContact CE2-CG1 4.48Å; Y400-I445 HydrophobicContact CG-CG1 4.29Å; Y400-C480 WeakPolarHBondContact OH-CA 3.34Å; Y400-C480 PolarHBondContact OH-SG 3.35Å; Y400-D483 HydrophobicContact CE2-CB 4.3Å; Y400-D483 PolarHBondContact OH-OD2 2.84Å; Y400-D483 VanDerWaalsContact OH-OD2 3.06Å
401P93.6Very high89.3Confident39 Ų3937.5 Ų37.525%0.25319%0.187SC..Hα-helixtrans-60.6-39.8176.9-21.333.2000113.1L399 L404 D405 A448L399-P401 VanDerWaalsContact C-CD 3.45Å; P401-L404 WeakPolarHBondContact O-CB 3.27Å; P401-L404 PolarHBondContact O-N 2.9Å; P401-D405 PolarHBondContact O-N 3.46Å; P401-D405 VanDerWaalsContact O-N 3.12Å; P401-A448 HydrophobicContact CB-CB 4.02Å; P401-A448 HydrophobicContact CG-CB 4.03Å
402E92.6Very high88.5Confident70 Ų7033.3 Ų33.333%0.32717%0.168SC..Hα-helixtrans-73.1-38.6178.6-175.5176.1-174.100111.9K353 T361 L399 Y400 L404 D405 L406K353-E402 WeakPolarHBondContact CE-OE2 3.25Å; K353-E402 IonicContact NZ-OE1 2.78Å; K353-E402 PolarHBondContact NZ-OE1 3.33Å; K353-E402 IonicContact NZ-OE2 2.67Å; K353-E402 PolarHBondContact NZ-OE2 2.75Å; T361-E402 HydrophobicContact CG2-CG 4.14Å; L399-E402 WeakPolarHBondContact O-CB 3.45Å; L399-E402 PolarHBondContact O-N 2.75Å; Y400-E402 VanDerWaalsContact C-N 3.32Å; Y400-E402 PolarHBondContact O-N 3.01Å; E402-L404 VanDerWaalsContact C-N 3.27Å; E402-L404 PolarHBondContact O-N 2.73Å; E402-D405 WeakPolarHBondContact O-CB 3.46Å; E402-D405 PolarHBondContact O-N 2.76Å; E402-L406 WeakPolarHBondContact O-CG 3.38Å; E402-L406 PolarHBondContact O-N 3.43Å
403L92.5Very high87.5Confident4 Ų435.7 Ų35.72%0.02119%0.185CC..Hα-helixtrans-64.7-34174.2-64.3178.1000111.8L360 T361 F396 L399 Y400 L406 Y407 I419L360-L403 HydrophobicContact CB-CD2 4.19Å; L360-L403 VanDerWaalsContact O-CD2 3.25Å; L360-L403 WeakPolarHBondContact O-CD2 3.24Å; T361-L403 HydrophobicContact CG2-CD2 4.07Å; F396-L403 HydrophobicContact CD2-CD1 3.99Å; F396-L403 HydrophobicContact CE2-CD1 3.6Å; F396-L403 HydrophobicContact CZ-CD1 4.09Å; L399-L403 HydrophobicContact CB-CD1 4.11Å; L399-L403 HydrophobicContact CB-CG 4.16Å; L399-L403 WeakPolarHBondContact O-CG 3.48Å; L399-L403 PolarHBondContact O-N 3.17Å; Y400-L403 PolarHBondContact O-N 3.37Å; L403-L406 HydrophobicContact CD2-CD1 4.42Å; L403-Y407 WeakPolarHBondContact O-CB 3.19Å; L403-Y407 PolarHBondContact O-N 2.84Å; L403-I419 HydrophobicContact CB-CB 4.37Å
404L90.7Very high86.8Confident1 Ų138 Ų381%0.00520%0.197CC..Hα-helixtrans-65.5-43.2173.3-177.862.3000111.2Y400 P401 E402 Y407 I408 I419 A448 F476 C480Y400-L404 WeakPolarHBondContact O-CB 3.33Å; Y400-L404 PolarHBondContact O-N 3.4Å; P401-L404 WeakPolarHBondContact O-CB 3.27Å; P401-L404 PolarHBondContact O-N 2.9Å; E402-L404 VanDerWaalsContact C-N 3.27Å; E402-L404 PolarHBondContact O-N 2.73Å; L404-Y407 HydrophobicContact CD1-CD1 4.49Å; L404-Y407 PolarHBondContact O-N 2.89Å; L404-I408 HydrophobicContact CD1-CD1 4.42Å; L404-I408 HydrophobicContact CG-CD1 4.1Å; L404-I408 VanDerWaalsContact O-CG1 3.29Å; L404-I408 WeakPolarHBondContact O-CG1 3.3Å; L404-I408 PolarHBondContact O-N 3.49Å; L404-I419 HydrophobicContact CB-CD1 4.17Å; L404-I419 HydrophobicContact CD1-CD1 4Å; L404-A448 HydrophobicContact CD2-CB 4.35Å; L404-F476 HydrophobicContact CD1-CB 4.01Å; L404-F476 HydrophobicContact CD1-CD2 4.21Å; L404-C480 VanDerWaalsContact CD1-SG 3.51Å
405D88.7Confident85.7Confident46 Ų4640.2 Ų40.225%0.24621%0.21CC..Hα-helixtrans-62.9-42.9177-64-15.8000111.9P401 E402 Y407 I408 L409 R452P401-D405 PolarHBondContact O-N 3.46Å; P401-D405 VanDerWaalsContact O-N 3.12Å; E402-D405 WeakPolarHBondContact O-CB 3.46Å; E402-D405 PolarHBondContact O-N 2.76Å; D405-Y407 VanDerWaalsContact C-N 3.34Å; D405-I408 PolarHBondContact O-N 3.08Å; D405-L409 WeakPolarHBondContact O-CG 3.39Å; D405-L409 PolarHBondContact O-N 2.7Å; D405-R452 IonicContact OD1-CZ 3.68Å; D405-R452 IonicContact OD1-NE 3.95Å; D405-R452 PolarHBondContact OD1-NE 2.82Å; D405-R452 IonicContact OD1-NH2 2.71Å; D405-R452 PolarHBondContact OD1-NH2 2.99Å; D405-R452 IonicContact OD2-CZ 2.8Å; D405-R452 IonicContact OD2-NE 2.63Å; D405-R452 IonicContact OD2-NH2 3.32Å; D405-R452 PolarHBondContact OD2-NH2 3.01Å
406L88.1Confident85.1Confident34 Ų3439 Ų3918%0.17820%0.204CC..Hα-helixtrans-61.2-44.9174.1-71.7171000111T361 E402 L403 I408 L409 D410T361-L406 WeakPolarHBondContact O-CD1 3.4Å; E402-L406 WeakPolarHBondContact O-CG 3.38Å; E402-L406 PolarHBondContact O-N 3.43Å; L403-L406 HydrophobicContact CD2-CD1 4.42Å; L406-I408 PolarHBondContact O-N 3.37Å; L406-L409 PolarHBondContact O-N 2.95Å; L406-D410 WeakPolarHBondContact O-CB 2.94Å; L406-D410 PolarHBondContact O-N 2.67Å; L406-D410 VanDerWaalsContact O-N 3.15Å
407Y86.2Confident84.7Confident12 Ų1239.1 Ų39.15%0.04721%0.205CC..Hα-helixtrans-60.3-42.8177.8174.7-123.2000112.3L403 L404 D405 L409 D410 L414 C417 I419 I471 S475 F476 Q479L403-Y407 WeakPolarHBondContact O-CB 3.19Å; L403-Y407 PolarHBondContact O-N 2.84Å; L404-Y407 HydrophobicContact CD1-CD1 4.49Å; L404-Y407 PolarHBondContact O-N 2.89Å; D405-Y407 VanDerWaalsContact C-N 3.34Å; Y407-L409 PolarHBondContact O-N 3.09Å; Y407-D410 WeakPolarHBondContact O-CB 3.38Å; Y407-D410 PolarHBondContact O-N 2.7Å; Y407-L414 HydrophobicContact CD2-CD1 4.32Å; Y407-L414 HydrophobicContact CE1-CD1 4.39Å; Y407-L414 HydrophobicContact CE2-CB 4.21Å; Y407-L414 HydrophobicContact CE2-CD1 3.85Å; Y407-C417 HydrophobicContact CD2-CB 4.05Å; Y407-I419 HydrophobicContact CD1-CG2 4.45Å; Y407-I419 HydrophobicContact CD2-CG2 4.31Å; Y407-I419 HydrophobicContact CG-CG2 3.99Å; Y407-I471 WeakPolarHBondContact O-CD1 3.23Å; Y407-S475 PolarHBondContact OH-OG 3.49Å; Y407-F476 HydrophobicContact CD1-CB 3.98Å; Y407-F476 HydrophobicContact CE1-CB 3.93Å; Y407-Q479 HydrophobicContact CE1-CB 4.28Å
408I82Confident84.4Confident26 Ų2638.9 Ų38.913%0.13320%0.203CC..Hα-helixtrans-62.7-30.7179.4-69.7165.7000112.2L404 D405 L406 R452 I471 F476L404-I408 HydrophobicContact CD1-CD1 4.42Å; L404-I408 HydrophobicContact CG-CD1 4.1Å; L404-I408 VanDerWaalsContact O-CG1 3.29Å; L404-I408 WeakPolarHBondContact O-CG1 3.3Å; L404-I408 PolarHBondContact O-N 3.49Å; D405-I408 PolarHBondContact O-N 3.08Å; L406-I408 PolarHBondContact O-N 3.37Å; I408-R452 HydrophobicContact CD1-CB 4.24Å; I408-R452 HydrophobicContact CD1-CG 3.91Å; I408-I471 WeakPolarHBondContact O-CD1 3.43Å; I408-F476 HydrophobicContact CD1-CB 4.19Å; I408-F476 HydrophobicContact CD1-CD1 3.92Å; I408-F476 HydrophobicContact CD1-CD2 3.88Å; I408-F476 HydrophobicContact CD1-CE1 4.23Å; I408-F476 HydrophobicContact CD1-CE2 4.24Å; I408-F476 HydrophobicContact CD1-CG 3.74Å; I408-F476 HydrophobicContact CD1-CZ 4.41Å; I408-F476 HydrophobicContact CG1-CB 3.64Å; I408-F476 HydrophobicContact CG1-CD1 3.72Å; I408-F476 HydrophobicContact CG1-CD2 4.28Å; I408-F476 HydrophobicContact CG1-CE1 4.44Å; I408-F476 HydrophobicContact CG1-CG 3.63Å
409L78Confident84.2Confident143 Ų14332.1 Ų32.175%0.74917%0.174SC*.THydrogen-bonded Turntrans-92.7-0.4-180-64.1174.1000113.5D405 L406 Y407D405-L409 WeakPolarHBondContact O-CG 3.39Å; D405-L409 PolarHBondContact O-N 2.7Å; L406-L409 PolarHBondContact O-N 2.95Å; Y407-L409 PolarHBondContact O-N 3.09Å
410D75.4Confident83.8Confident14 Ų1432.5 Ų32.58%0.07518%0.178CC..  trans-88.4136.9-171-150.4-7.8000112.3R371 L406 Y407 Y412 C417 I471R371-D410 IonicContact CZ-OD1 3.86Å; R371-D410 IonicContact CZ-OD2 3.98Å; R371-D410 IonicContact NH1-OD1 3.87Å; R371-D410 PolarHBondContact NH1-OD1 3.17Å; R371-D410 IonicContact NH1-OD2 3.48Å; R371-D410 PolarHBondContact NH1-OD2 3.08Å; R371-D410 IonicContact NH2-OD1 2.91Å; R371-D410 PolarHBondContact NH2-OD1 3.49Å; R371-D410 IonicContact NH2-OD2 3.07Å; L406-D410 WeakPolarHBondContact O-CB 2.94Å; L406-D410 PolarHBondContact O-N 2.67Å; L406-D410 VanDerWaalsContact O-N 3.15Å; Y407-D410 WeakPolarHBondContact O-CB 3.38Å; Y407-D410 PolarHBondContact O-N 2.7Å; D410-Y412 WeakPolarHBondContact OD1-CD2 3.1Å; D410-C417 PolarHBondContact OD2-SG 3.43Å; D410-I471 WeakPolarHBondContact O-CD1 3.25Å; D410-I471 WeakPolarHBondContact O-CG1 3.36Å
411D68.2Low83.5Confident66 Ų6632.5 Ų32.535%0.35318%0.178SC..  trans-87.7-9.1176.1-63.3-40.2000111.8D233 E234 R296D233-D411 WeakPolarHBondContact O-CB 3.45Å; E234-D411 WeakPolarHBondContact CB-O 3.43Å; R296-D411 IonicContact NH1-OD1 2.68Å; R296-D411 IonicContact NH1-OD2 2.73Å
412Y73.8Confident83.4Confident26 Ų2630.7 Ų30.710%0.10217%0.166CC..SBendtrans-85.2159.5-177.2-73.3-85.5000115.2N232 E234 G267 K368 R371 D410N232-Y412 HydrophobicContact CB-CE1 4.34Å; N232-Y412 PolarHBondContact O-OH 3.28Å; E234-Y412 HydrophobicContact CG-CD1 4.35Å; G267-Y412 PolarHBondContact O-OH 2.79Å; K368-Y412 HydrophobicContact CB-CD1 4.27Å; K368-Y412 HydrophobicContact CB-CE1 3.8Å; K368-Y412 HydrophobicContact CG-CD1 4.35Å; K368-Y412 HydrophobicContact CG-CE1 4.33Å; R371-Y412 VanDerWaalsContact CZ-CD2 3.45Å; R371-Y412 VanDerWaalsContact NH2-CD2 3.35Å; D410-Y412 WeakPolarHBondContact OD1-CD2 3.1Å
413S72.7Confident83.1Confident51 Ų5128.9 Ų28.936%0.35716%0.16SC..  trans-60.9143.5170.776.60000112.7V415 V416 C417S413-V415 PolarHBondContact O-N 2.65Å; S413-V416 PolarHBondContact O-N 3.43Å; S413-C417 PolarHBondContact O-SG 3.4Å
414L78Confident82.7Confident50 Ų5031.3 Ų31.326%0.26217%0.171SC..G310 helixtrans-49.1-38.4-178.3173.166.8000114.4Y407 V416 C417 I419 S420 Q479Y407-L414 HydrophobicContact CD2-CD1 4.32Å; Y407-L414 HydrophobicContact CE1-CD1 4.39Å; Y407-L414 HydrophobicContact CE2-CB 4.21Å; Y407-L414 HydrophobicContact CE2-CD1 3.85Å; L414-V416 PolarHBondContact O-N 2.75Å; L414-C417 PolarHBondContact O-N 2.76Å; L414-I419 HydrophobicContact CD1-CG2 3.8Å; L414-S420 VanDerWaalsContact O-CB 3.29Å; L414-S420 WeakPolarHBondContact O-CB 3.47Å; L414-Q479 HydrophobicContact CD1-CG 3.96Å
415V73.2Confident82.6Confident68 Ų6831.3 Ų31.341%0.41217%0.171SC..G310 helixtrans-58.5-24.5-176.9-177.90000112T149 Q375 S413 S420T149-V415 HydrophobicContact CG2-CG1 3.98Å; Q375-V415 PolarHBondContact NE2-O 3.47Å; S413-V415 PolarHBondContact O-N 2.65Å; V415-S420 PolarHBondContact O-OG 2.65Å
416V80.4Confident82.8Confident8 Ų829.1 Ų29.15%0.04816%0.159CC..G310 helixtrans-96.9-18.3-176.3-172.50000111.5K368 R371 V372 Q375 S413 L414K368-V416 HydrophobicContact CB-CG1 4.48Å; K368-V416 HydrophobicContact CG-CG1 4.04Å; K368-V416 HydrophobicContact CG-CG2 3.98Å; K368-V416 WeakPolarHBondContact O-CG1 3.13Å; R371-V416 HydrophobicContact CB-CG1 3.64Å; R371-V416 WeakPolarHBondContact CB-O 3.27Å; R371-V416 HydrophobicContact CG-CG1 4.24Å; V372-V416 HydrophobicContact CG2-CG1 4.48Å; Q375-V416 PolarHBondContact NE2-O 3.21Å; S413-V416 PolarHBondContact O-N 3.43Å; L414-V416 PolarHBondContact O-N 2.75Å
417C86.2Confident82.8Confident1 Ų128.4 Ų28.41%0.00716%0.156CC..SBendtrans-74.6140.9178.7-52.70000110.9Q375 Y407 D410 S413 L414 I419 S420Q375-C417 PolarHBondContact NE2-O 2.7Å; Y407-C417 HydrophobicContact CD2-CB 4.05Å; D410-C417 PolarHBondContact OD2-SG 3.43Å; S413-C417 PolarHBondContact O-SG 3.4Å; L414-C417 PolarHBondContact O-N 2.76Å; C417-I419 HydrophobicContact CB-CG2 4.06Å; C417-I419 PolarHBondContact O-N 2.69Å; C417-I419 VanDerWaalsContact O-N 3.12Å; C417-S420 WeakPolarHBondContact O-CB 3.46Å; C417-S420 PolarHBondContact O-N 3.34Å; C417-S420 PolarHBondContact O-OG 2.91Å
418S88.2Confident82.7Confident0 Ų028.8 Ų28.80%016%0.16CC..G310 helixtrans-58.4-26.8-179.8-790000113.7L360 D363 S420 M421L360-S418 WeakPolarHBondContact CD2-OG 3.4Å; L360-S418 PolarHBondContact O-OG 2.9Å; D363-S418 VanDerWaalsContact CG-OG 3.27Å; D363-S418 PolarHBondContact OD1-OG 3.33Å; D363-S418 WeakPolarHBondContact OD2-CB 3.25Å; D363-S418 PolarHBondContact OD2-N 3.37Å; D363-S418 PolarHBondContact OD2-OG 3.04Å; D363-S418 VanDerWaalsContact OD2-OG 3.1Å; S418-S420 PolarHBondContact O-N 2.95Å; S418-M421 WeakPolarHBondContact O-CB 3.17Å; S418-M421 WeakPolarHBondContact O-CG 3.47Å; S418-M421 PolarHBondContact O-N 2.88Å
419I89.7Confident82.9Confident1 Ų132.2 Ų32.21%0.00517%0.174CC..G310 helixtrans-61.8-29175.7-163.6166000112.8Y400 L403 L404 Y407 L414 C417 M421 S422Y400-I419 HydrophobicContact CE2-CD1 4.22Å; Y400-I419 HydrophobicContact CE2-CG1 4.21Å; L403-I419 HydrophobicContact CB-CB 4.37Å; L404-I419 HydrophobicContact CB-CD1 4.17Å; L404-I419 HydrophobicContact CD1-CD1 4Å; Y407-I419 HydrophobicContact CD1-CG2 4.45Å; Y407-I419 HydrophobicContact CD2-CG2 4.31Å; Y407-I419 HydrophobicContact CG-CG2 3.99Å; L414-I419 HydrophobicContact CD1-CG2 3.8Å; C417-I419 HydrophobicContact CB-CG2 4.06Å; C417-I419 PolarHBondContact O-N 2.69Å; C417-I419 VanDerWaalsContact O-N 3.12Å; I419-M421 PolarHBondContact O-N 2.63Å; I419-S422 VanDerWaalsContact O-CB 3.28Å; I419-S422 WeakPolarHBondContact O-CB 3.37Å; I419-S422 PolarHBondContact O-N 2.7Å; I419-S422 PolarHBondContact O-OG 3.49Å
420S87.3Confident83.2Confident22 Ų2228.2 Ų28.215%0.15416%0.158CC..G310 helixtrans-62-17.3179.267.40000113.8L414 V415 C417 S418 S422 V423L414-S420 VanDerWaalsContact O-CB 3.29Å; L414-S420 WeakPolarHBondContact O-CB 3.47Å; V415-S420 PolarHBondContact O-OG 2.65Å; C417-S420 WeakPolarHBondContact O-CB 3.46Å; C417-S420 PolarHBondContact O-N 3.34Å; C417-S420 PolarHBondContact O-OG 2.91Å; S418-S420 PolarHBondContact O-N 2.95Å; S420-S422 PolarHBondContact O-N 3.3Å; S420-S422 VanDerWaalsContact O-N 3.14Å; S420-V423 WeakPolarHBondContact O-CG1 2.96Å; S420-V423 PolarHBondContact O-N 3.48Å
421M88.2Confident83.9Confident1 Ų128.1 Ų28.11%0.00516%0.157CC..G310 helixtrans-64.6-11.3172.2-64-165.163.400113.3L360 Q375 I378 M379 L383 F392 F396 S418 I419 V423 Q424 V425L360-M421 HydrophobicContact CD2-SD 3.85Å; Q375-M421 HydrophobicContact CB-SD 4.27Å; Q375-M421 HydrophobicContact CG-CG 4.13Å; Q375-M421 HydrophobicContact CG-SD 4.02Å; I378-M421 HydrophobicContact CB-CE 3.77Å; I378-M421 HydrophobicContact CB-SD 4.32Å; I378-M421 HydrophobicContact CG2-CE 3.33Å; I378-M421 HydrophobicContact CG2-SD 4.2Å; M379-M421 HydrophobicContact CE-CE 4.34Å; M379-M421 HydrophobicContact CE-CG 4.34Å; M379-M421 HydrophobicContact CG-CE 3.98Å; L383-M421 HydrophobicContact CD1-CE 3.67Å; F392-M421 HydrophobicContact CE1-CE 4.44Å; F392-M421 HydrophobicContact CZ-CE 4.39Å; F396-M421 HydrophobicContact CE2-CB 3.88Å; F396-M421 HydrophobicContact CZ-CB 4.19Å; S418-M421 WeakPolarHBondContact O-CB 3.17Å; S418-M421 WeakPolarHBondContact O-CG 3.47Å; S418-M421 PolarHBondContact O-N 2.88Å; I419-M421 PolarHBondContact O-N 2.63Å; M421-V423 PolarHBondContact O-N 3.39Å; M421-Q424 WeakPolarHBondContact O-CB 3.18Å; M421-Q424 PolarHBondContact O-N 3.24Å; M421-V425 PolarHBondContact O-N 2.78Å
422S91.2Very high85Confident1 Ų125 Ų251%0.00714%0.141CC..Hα-helixtrans-49.4-39.9172.362.20000112.2I419 S420 Q424 V425 F426 D483I419-S422 VanDerWaalsContact O-CB 3.28Å; I419-S422 WeakPolarHBondContact O-CB 3.37Å; I419-S422 PolarHBondContact O-N 2.7Å; I419-S422 PolarHBondContact O-OG 3.49Å; S420-S422 PolarHBondContact O-N 3.3Å; S420-S422 VanDerWaalsContact O-N 3.14Å; S422-Q424 PolarHBondContact O-N 3Å; S422-V425 PolarHBondContact O-N 3.44Å; S422-F426 WeakPolarHBondContact O-CB 3.19Å; S422-F426 PolarHBondContact O-N 3.27Å; S422-D483 WeakPolarHBondContact CB-OD1 3.39Å; S422-D483 WeakPolarHBondContact CB-OD2 3.45Å; S422-D483 PolarHBondContact OG-OD1 3.24Å; S422-D483 PolarHBondContact OG-OD2 3.02Å
423V87.1Confident85.9Confident32 Ų3225.9 Ų25.919%0.19415%0.146CC..Hα-helixtrans-63-30.7178.7730000112.3T123 S420 M421 V425 T427 Y486T123-V423 HydrophobicContact CG2-CG2 4Å; S420-V423 WeakPolarHBondContact O-CG1 2.96Å; S420-V423 PolarHBondContact O-N 3.48Å; M421-V423 PolarHBondContact O-N 3.39Å; V423-V425 VanDerWaalsContact C-N 3.31Å; V423-T427 HydrophobicContact CG2-CG2 3.95Å; V423-T427 WeakPolarHBondContact O-CB 3.16Å; V423-T427 WeakPolarHBondContact O-CG2 3.34Å; V423-T427 PolarHBondContact O-OG1 3.43Å; V423-Y486 HydrophobicContact CB-CD2 4.43Å; V423-Y486 HydrophobicContact CB-CE2 3.82Å; V423-Y486 HydrophobicContact CG2-CE1 4.34Å; V423-Y486 HydrophobicContact CG2-CE2 3.99Å
424Q84.2Confident86.8Confident55 Ų5525.1 Ų25.126%0.25714%0.138SC..Hα-helixtrans-83.3-11.6178.7-58.2-63.8-42.800112.6M379 L383 M421 S422M379-Q424 HydrophobicContact CE-CG 4.1Å; L383-Q424 HydrophobicContact CD1-CB 3.72Å; M421-Q424 WeakPolarHBondContact O-CB 3.18Å; M421-Q424 PolarHBondContact O-N 3.24Å; S422-Q424 PolarHBondContact O-N 3Å
425V88.6Confident87.7Confident0 Ų022.8 Ų22.80%013%0.126CC..Hα-helixtrans-108.6-45.8-175.8177.80000111.5L383 F392 F396 M421 S422 V423 L435L383-V425 HydrophobicContact CD2-CG2 4.05Å; F392-V425 HydrophobicContact CD1-CG2 4.33Å; F392-V425 HydrophobicContact CE1-CG2 3.95Å; F396-V425 HydrophobicContact CD1-CB 4.45Å; F396-V425 HydrophobicContact CD1-CG1 4.34Å; F396-V425 HydrophobicContact CD1-CG2 4.37Å; F396-V425 HydrophobicContact CG-CG2 4.38Å; M421-V425 PolarHBondContact O-N 2.78Å; S422-V425 PolarHBondContact O-N 3.44Å; V423-V425 VanDerWaalsContact C-N 3.31Å; V425-L435 HydrophobicContact CG1-CD1 4.43Å
426F93.1Very high88.7Confident0 Ų019.6 Ų19.60%011%0.107CC..Hα-helixtrans-89.9-14.7-169.5-64.2-17.6000114.4F396 L397 Y400 S422 A432 L435 I445 D483 Y486 L487F396-F426 HydrophobicContact CD1-CE1 4.2Å; F396-F426 HydrophobicContact CD1-CZ 4.03Å; F396-F426 HydrophobicContact CE1-CE2 4.41Å; F396-F426 HydrophobicContact CE1-CZ 4.02Å; L397-F426 HydrophobicContact CD1-CZ 4.37Å; Y400-F426 HydrophobicContact CD2-CE2 4.12Å; Y400-F426 HydrophobicContact CD2-CZ 4.1Å; Y400-F426 AromaticContact CE2-CE2 3.9Å; Y400-F426 HydrophobicContact CE2-CE2 3.9Å; Y400-F426 HydrophobicContact CE2-CZ 4.35Å; S422-F426 WeakPolarHBondContact O-CB 3.19Å; S422-F426 PolarHBondContact O-N 3.27Å; F426-A432 WeakPolarHBondContact O-CB 3.12Å; F426-L435 HydrophobicContact CD1-CD1 3.84Å; F426-L435 HydrophobicContact CE1-CD1 3.83Å; F426-I445 HydrophobicContact CE2-CD1 3.77Å; F426-I445 HydrophobicContact CZ-CD1 4Å; F426-D483 HydrophobicContact CD2-CB 3.99Å; F426-D483 HydrophobicContact CE2-CB 4.07Å; F426-Y486 CarbonylContact O-C 2.86Å; F426-L487 HydrophobicContact CB-CD2 3.76Å; F426-L487 HydrophobicContact CB-CG 3.93Å; F426-L487 HydrophobicContact CD1-CD2 3.66Å; F426-L487 HydrophobicContact CD1-CG 4.24Å; F426-L487 HydrophobicContact CD2-CD2 4.49Å; F426-L487 HydrophobicContact CD2-CG 4.2Å; F426-L487 HydrophobicContact CE1-CD2 4.41Å; F426-L487 HydrophobicContact CG-CD2 3.73Å; F426-L487 HydrophobicContact CG-CG 3.88Å
427T87.4Confident89.3Confident19 Ų1922.4 Ų22.412%0.11712%0.118CC..SBendtrans-81.2-23.9174.455.50000112.6T123 V423 K429 Y486T123-T427 HydrophobicContact CG2-CG2 4.3Å; V423-T427 HydrophobicContact CG2-CG2 3.95Å; V423-T427 WeakPolarHBondContact O-CB 3.16Å; V423-T427 WeakPolarHBondContact O-CG2 3.34Å; V423-T427 PolarHBondContact O-OG1 3.43Å; T427-K429 PolarHBondContact O-N 3.32Å; T427-Y486 HydrophobicContact CG2-CD1 4.11Å; T427-Y486 HydrophobicContact CG2-CG 4.07Å
428V85Confident89.6Confident20 Ų2025.4 Ų25.412%0.12114%0.14CC..  trans-66.7107.7-179.6-177.90000110E158 S430 I431 A432E158-V428 WeakPolarHBondContact OE2-CG1 3.03Å; V428-S430 PolarHBondContact O-N 2.96Å; V428-I431 HydrophobicContact CB-CB 4.05Å; V428-I431 HydrophobicContact CB-CD1 4.04Å; V428-I431 HydrophobicContact CB-CG1 4.2Å; V428-I431 HydrophobicContact CG1-CB 4.08Å; V428-I431 HydrophobicContact CG1-CD1 3.74Å; V428-I431 HydrophobicContact CG1-CG1 3.76Å; V428-I431 HydrophobicContact CG2-CD1 4.48Å; V428-I431 PolarHBondContact O-N 3.18Å; V428-A432 WeakPolarHBondContact O-CB 3.43Å; V428-A432 PolarHBondContact O-N 2.92Å
429K84.8Confident89.9Confident99 Ų9928.7 Ų28.743%0.4316%0.155SC..Hα-helixtrans-49.6-49.7-171.1-179.9175.6-175170.30114.2T427 I431 M433 N490T427-K429 PolarHBondContact O-N 3.32Å; K429-I431 VanDerWaalsContact C-N 3.31Å; K429-I431 PolarHBondContact O-N 2.93Å; K429-M433 WeakPolarHBondContact O-CB 3.2Å; K429-M433 PolarHBondContact O-N 3.34Å; K429-M433 VanDerWaalsContact O-N 3.16Å; K429-N490 WeakPolarHBondContact CD-OD1 3.42Å; K429-N490 HydrophobicContact CG-CB 4.23Å
430S85Confident90.1Very high59 Ų5930.2 Ų30.241%0.41316%0.163SC..Hα-helixtrans-65.6-36.1-177.958.20000112.2E158 V428 N434E158-S430 WeakPolarHBondContact OE1-CB 3.06Å; E158-S430 PolarHBondContact OE1-OG 2.73Å; E158-S430 PolarHBondContact OE2-OG 3.31Å; V428-S430 PolarHBondContact O-N 2.96Å; S430-N434 VanDerWaalsContact O-CB 3.3Å; S430-N434 WeakPolarHBondContact O-CB 3.05Å; S430-N434 PolarHBondContact O-N 2.74Å
431I90Very high90.6Very high11 Ų1129.2 Ų29.26%0.05616%0.156CC..Hα-helixtrans-75.6-49.7179.3-64.3-179.2000110.5R389 S393 V428 K429 M433 N434 L435R389-I431 HydrophobicContact CB-CD1 4.46Å; R389-I431 VanDerWaalsContact CD-CD1 3.45Å; R389-I431 HydrophobicContact CG-CD1 3.53Å; S393-I431 VanDerWaalsContact CB-CG2 3.43Å; S393-I431 WeakPolarHBondContact OG-CG2 3.19Å; V428-I431 HydrophobicContact CB-CB 4.05Å; V428-I431 HydrophobicContact CB-CD1 4.04Å; V428-I431 HydrophobicContact CB-CG1 4.2Å; V428-I431 HydrophobicContact CG1-CB 4.08Å; V428-I431 HydrophobicContact CG1-CD1 3.74Å; V428-I431 HydrophobicContact CG1-CG1 3.76Å; V428-I431 HydrophobicContact CG2-CD1 4.48Å; V428-I431 PolarHBondContact O-N 3.18Å; K429-I431 VanDerWaalsContact C-N 3.31Å; K429-I431 PolarHBondContact O-N 2.93Å; I431-M433 VanDerWaalsContact C-N 3.32Å; I431-M433 PolarHBondContact O-N 3.28Å; I431-N434 CarbonylContact O-C 3.59Å; I431-N434 PolarHBondContact O-N 2.76Å; I431-N434 VanDerWaalsContact O-N 3.08Å; I431-L435 HydrophobicContact CG2-CD1 3.78Å; I431-L435 HydrophobicContact CG2-CG 3.98Å; I431-L435 WeakPolarHBondContact O-CB 3.37Å; I431-L435 VanDerWaalsContact O-CG 3.3Å; I431-L435 WeakPolarHBondContact O-CG 3.48Å; I431-L435 PolarHBondContact O-N 3.32Å
432A91.8Very high91Very high2 Ų229.3 Ų29.32%0.01716%0.156CC..Hα-helixtrans-52.7-50.5178.600000111.3F426 V428 N434 L435 I436 L487F426-A432 WeakPolarHBondContact O-CB 3.12Å; V428-A432 WeakPolarHBondContact O-CB 3.43Å; V428-A432 PolarHBondContact O-N 2.92Å; A432-N434 VanDerWaalsContact C-N 3.35Å; A432-N434 PolarHBondContact O-N 2.85Å; A432-L435 PolarHBondContact O-N 2.99Å; A432-I436 WeakPolarHBondContact O-CG1 3.18Å; A432-I436 PolarHBondContact O-N 3.05Å; A432-L487 HydrophobicContact CB-CD2 3.99Å
433M91.8Very high91.2Very high43 Ų4329.4 Ų29.421%0.21216%0.157CC..Hα-helixtrans-61.8-41.5178.1-167.257.662.500112.2K429 I431 K437 P492 L501 W559K429-M433 WeakPolarHBondContact O-CB 3.2Å; K429-M433 PolarHBondContact O-N 3.34Å; K429-M433 VanDerWaalsContact O-N 3.16Å; I431-M433 VanDerWaalsContact C-N 3.32Å; I431-M433 PolarHBondContact O-N 3.28Å; M433-K437 WeakPolarHBondContact O-CB 3.21Å; M433-K437 PolarHBondContact O-N 3.48Å; M433-P492 HydrophobicContact CE-CG 4.11Å; M433-L501 HydrophobicContact SD-CD1 3.88Å; M433-L501 HydrophobicContact SD-CD2 3.9Å; M433-W559 HydrophobicContact CE-CH2 3.8Å; M433-W559 HydrophobicContact CE-CZ2 4.25Å; M433-W559 HydrophobicContact SD-CH2 4.22Å
434N91.9Very high91.6Very high35 Ų3531 Ų3119%0.18716%0.162CC..Hα-helixtrans-67.9-35.2176.617882.3000112.6S430 I431 A432 S438S430-N434 VanDerWaalsContact O-CB 3.3Å; S430-N434 WeakPolarHBondContact O-CB 3.05Å; S430-N434 PolarHBondContact O-N 2.74Å; I431-N434 CarbonylContact O-C 3.59Å; I431-N434 PolarHBondContact O-N 2.76Å; I431-N434 VanDerWaalsContact O-N 3.08Å; A432-N434 VanDerWaalsContact C-N 3.35Å; A432-N434 PolarHBondContact O-N 2.85Å; N434-S438 WeakPolarHBondContact O-CA 3.39Å; N434-S438 VanDerWaalsContact O-CB 3.25Å; N434-S438 WeakPolarHBondContact O-CB 3.43Å; N434-S438 PolarHBondContact O-N 3.28Å
435L95.9Very high92.2Very high1 Ų128.4 Ų28.41%0.00515%0.15CC..Hα-helixtrans-68.5-43.7176.1-71.4179.8000111.2V394 L397 V425 F426 I431 A432 H439 D440 A441 L487V394-L435 HydrophobicContact CG2-CD2 4.05Å; L397-L435 HydrophobicContact CB-CD2 4.49Å; L397-L435 HydrophobicContact CD2-CD2 4.02Å; V425-L435 HydrophobicContact CG1-CD1 4.43Å; F426-L435 HydrophobicContact CD1-CD1 3.84Å; F426-L435 HydrophobicContact CE1-CD1 3.83Å; I431-L435 HydrophobicContact CG2-CD1 3.78Å; I431-L435 HydrophobicContact CG2-CG 3.98Å; I431-L435 WeakPolarHBondContact O-CB 3.37Å; I431-L435 VanDerWaalsContact O-CG 3.3Å; I431-L435 WeakPolarHBondContact O-CG 3.48Å; I431-L435 PolarHBondContact O-N 3.32Å; A432-L435 PolarHBondContact O-N 2.99Å; L435-H439 HydrophobicContact CD2-CB 4.49Å; L435-H439 CarbonylContact O-C 3.54Å; L435-H439 WeakPolarHBondContact O-CA 3.14Å; L435-H439 WeakPolarHBondContact O-CB 3.07Å; L435-H439 PolarHBondContact O-N 3.4Å; L435-D440 PolarHBondContact O-N 3.3Å; L435-A441 HydrophobicContact CB-CB 3.86Å; L435-A441 WeakPolarHBondContact O-CB 3.27Å; L435-A441 PolarHBondContact O-N 2.92Å; L435-L487 HydrophobicContact CD1-CD2 4.32Å
436I95.2Very high92.6Very high2 Ų228.5 Ų28.51%0.0115%0.151CC..Hα-helixtrans-61.9-51.9174.8-64.7169000110.3A432 L442 L487 L488 L501 K504 W559A432-I436 WeakPolarHBondContact O-CG1 3.18Å; A432-I436 PolarHBondContact O-N 3.05Å; I436-L442 HydrophobicContact CD1-CD2 4.45Å; I436-L442 HydrophobicContact CG1-CD2 4.25Å; I436-L442 HydrophobicContact CG1-CG 4.16Å; I436-L442 HydrophobicContact CG2-CD1 4.1Å; I436-L442 HydrophobicContact CG2-CG 4.31Å; I436-L487 HydrophobicContact CD1-CB 4.21Å; I436-L487 WeakPolarHBondContact CD1-O 3.3Å; I436-L487 HydrophobicContact CG1-CB 4.45Å; I436-L488 HydrophobicContact CD1-CD2 4.3Å; I436-L501 HydrophobicContact CG2-CD1 3.89Å; I436-K504 WeakPolarHBondContact O-CB 3.49Å; I436-W559 HydrophobicContact CD1-CH2 3.87Å; I436-W559 HydrophobicContact CD1-CZ2 4.25Å
437K93.2Very high92.7Very high66 Ų6633.8 Ų33.829%0.28717%0.173SC..Hα-helixtrans-72.5-42.7-172.2-173-179.9-178.8177.60113.8M433 D498 L500 L501 K504M433-K437 WeakPolarHBondContact O-CB 3.21Å; M433-K437 PolarHBondContact O-N 3.48Å; K437-D498 WeakPolarHBondContact CE-OD1 3.28Å; K437-D498 WeakPolarHBondContact CE-OD2 3.42Å; K437-D498 IonicContact NZ-OD1 3.13Å; K437-D498 IonicContact NZ-OD2 3.86Å; K437-D498 PolarHBondContact NZ-OD2 3.11Å; K437-L500 HydrophobicContact CG-CD2 3.85Å; K437-L500 HydrophobicContact CG-CG 4.02Å; K437-L501 HydrophobicContact CB-CD1 4.33Å; K437-K504 WeakPolarHBondContact O-CG 3.48Å
438S92.3Very high93Very high65 Ų6533.1 Ų33.146%0.45517%0.17SC..Hα-helixtrans-103.8-18.2-171.4-57.50000114.4N434N434-S438 WeakPolarHBondContact O-CA 3.39Å; N434-S438 VanDerWaalsContact O-CB 3.25Å; N434-S438 WeakPolarHBondContact O-CB 3.43Å; N434-S438 PolarHBondContact O-N 3.28Å
439H94.2Very high93.4Very high69 Ų6932.2 Ų32.232%0.31916%0.164SC..Hα-helixtrans-128.912.3-172.3-59.584.8000114.3V394 L397 L435 A441V394-H439 WeakPolarHBondContact CG2-NE2 3.2Å; L397-H439 HydrophobicContact CD2-CB 3.74Å; L435-H439 HydrophobicContact CD2-CB 4.49Å; L435-H439 CarbonylContact O-C 3.54Å; L435-H439 WeakPolarHBondContact O-CA 3.14Å; L435-H439 WeakPolarHBondContact O-CB 3.07Å; L435-H439 PolarHBondContact O-N 3.4Å; H439-A441 PolarHBondContact O-N 2.91Å
440D94.4Very high93.7Very high33 Ų3329.3 Ų29.318%0.17615%0.152CC..  trans55.233177-63.7-12.4000114L435 L442 S443 H444 K504 K507L435-D440 PolarHBondContact O-N 3.3Å; D440-L442 VanDerWaalsContact C-N 3.28Å; D440-L442 PolarHBondContact O-N 2.92Å; D440-L442 VanDerWaalsContact O-N 3.11Å; D440-S443 PolarHBondContact O-N 3.27Å; D440-H444 PolarHBondContact O-N 2.88Å; D440-K504 WeakPolarHBondContact OD1-CD 3.33Å; D440-K504 WeakPolarHBondContact OD1-CE 3.1Å; D440-K504 IonicContact OD1-NZ 3.06Å; D440-K504 PolarHBondContact OD1-NZ 2.85Å; D440-K504 IonicContact OD2-NZ 3.61Å; D440-K504 PolarHBondContact OD2-NZ 3.3Å; D440-K507 IonicContact OD2-NZ 3.84Å; D440-K507 PolarHBondContact OD2-NZ 3.38Å
441A96.5Very high94Very high0 Ų029.5 Ų29.50%015%0.154CC..Hα-helixtrans-50.5-44.1-168.600000114.2L397 L435 H439 H444 I445 L487L397-A441 HydrophobicContact CD1-CB 4.06Å; L397-A441 HydrophobicContact CD2-CB 3.77Å; L435-A441 HydrophobicContact CB-CB 3.86Å; L435-A441 WeakPolarHBondContact O-CB 3.27Å; L435-A441 PolarHBondContact O-N 2.92Å; H439-A441 PolarHBondContact O-N 2.91Å; A441-H444 PolarHBondContact O-N 3.36Å; A441-I445 WeakPolarHBondContact O-CG1 3.16Å; A441-I445 PolarHBondContact O-N 3.32Å; A441-L487 HydrophobicContact CB-CD1 3.84Å
442L97Very high93.9Very high4 Ų432.3 Ų32.32%0.02116%0.164CC..Hα-helixtrans-59.1-52.8177.2-55.3179.2000111.6I436 D440 H444 I445 F446 V484 L487 L488 F505I436-L442 HydrophobicContact CD1-CD2 4.45Å; I436-L442 HydrophobicContact CG1-CD2 4.25Å; I436-L442 HydrophobicContact CG1-CG 4.16Å; I436-L442 HydrophobicContact CG2-CD1 4.1Å; I436-L442 HydrophobicContact CG2-CG 4.31Å; D440-L442 VanDerWaalsContact C-N 3.28Å; D440-L442 PolarHBondContact O-N 2.92Å; D440-L442 VanDerWaalsContact O-N 3.11Å; L442-H444 VanDerWaalsContact C-N 3.26Å; L442-H444 PolarHBondContact O-N 2.87Å; L442-I445 PolarHBondContact O-N 2.74Å; L442-F446 HydrophobicContact CB-CD2 4.41Å; L442-F446 HydrophobicContact CB-CE2 4.37Å; L442-F446 WeakPolarHBondContact O-CB 3.49Å; L442-F446 WeakPolarHBondContact O-CD2 3.44Å; L442-F446 WeakPolarHBondContact O-CG 3.18Å; L442-F446 PolarHBondContact O-N 3.14Å; L442-V484 HydrophobicContact CD2-CG1 3.64Å; L442-L487 HydrophobicContact CD2-CB 4.36Å; L442-L487 HydrophobicContact CD2-CD1 4.3Å; L442-L488 HydrophobicContact CD1-CD2 4.04Å; L442-L488 HydrophobicContact CD2-CD1 4.45Å; L442-L488 HydrophobicContact CD2-CD2 3.92Å; L442-L488 HydrophobicContact CD2-CG 4.08Å; L442-F505 HydrophobicContact CD1-CD2 3.69Å; L442-F505 HydrophobicContact CD1-CE2 4.26Å
443S96.5Very high93.6Very high3 Ų332.2 Ų32.22%0.02116%0.163CC..Hα-helixtrans-65.2-31.3178.6-600000112.6D440 K447 K507 G508D440-S443 PolarHBondContact O-N 3.27Å; S443-K447 VanDerWaalsContact O-CB 3.26Å; S443-K447 WeakPolarHBondContact O-CB 3.39Å; S443-K447 WeakPolarHBondContact O-CD 3.22Å; S443-K447 WeakPolarHBondContact O-CG 3.33Å; S443-K447 PolarHBondContact O-N 2.93Å; S443-K447 VanDerWaalsContact O-N 3.16Å; S443-K507 WeakPolarHBondContact OG-CG 3.36Å; S443-K507 PolarHBondContact OG-O 2.96Å; S443-G508 WeakPolarHBondContact OG-CA 3.28Å; S443-G508 PolarHBondContact OG-N 2.75Å
444H96Very high93.1Very high65 Ų6533.9 Ų33.930%0.30118%0.176SC..Hα-helixtrans-66.9-50.9179.3-163.972000110.7L397 D440 A441 L442 K447 A448L397-H444 HydrophobicContact CD1-CB 4.34Å; L397-H444 PolarHBondContact O-CD2 3.3Å; L397-H444 PolarHBondContact O-NE2 3.16Å; L397-H444 VanDerWaalsContact O-NE2 3.07Å; D440-H444 PolarHBondContact O-N 2.88Å; A441-H444 PolarHBondContact O-N 3.36Å; L442-H444 VanDerWaalsContact C-N 3.26Å; L442-H444 PolarHBondContact O-N 2.87Å; H444-K447 PolarHBondContact O-N 3.02Å; H444-A448 PolarHBondContact O-N 3.01Å; H444-A448 VanDerWaalsContact O-N 3.14Å
445I96.8Very high92.5Very high0 Ų037.9 Ų37.90%019%0.193CC..Hα-helixtrans-67.5-46.8-179.9-63.3169.1000111L397 Y400 F426 A441 L442 K447 A448 L449 C480 V484 L487L397-I445 HydrophobicContact CD1-CD1 4.24Å; L397-I445 HydrophobicContact CD1-CG1 4.08Å; Y400-I445 HydrophobicContact CD1-CG1 4.07Å; Y400-I445 HydrophobicContact CD1-CG2 4.42Å; Y400-I445 HydrophobicContact CE1-CB 4.32Å; Y400-I445 HydrophobicContact CE1-CG1 4.08Å; Y400-I445 HydrophobicContact CE1-CG2 3.69Å; Y400-I445 HydrophobicContact CE2-CD1 4.47Å; Y400-I445 HydrophobicContact CE2-CG1 4.48Å; Y400-I445 HydrophobicContact CG-CG1 4.29Å; F426-I445 HydrophobicContact CE2-CD1 3.77Å; F426-I445 HydrophobicContact CZ-CD1 4Å; A441-I445 WeakPolarHBondContact O-CG1 3.16Å; A441-I445 PolarHBondContact O-N 3.32Å; L442-I445 PolarHBondContact O-N 2.74Å; I445-K447 VanDerWaalsContact C-N 3.27Å; I445-K447 PolarHBondContact O-N 3.19Å; I445-A448 WeakPolarHBondContact O-CB 3.49Å; I445-A448 PolarHBondContact O-N 2.93Å; I445-A448 VanDerWaalsContact O-N 3.15Å; I445-L449 PolarHBondContact O-N 3.12Å; I445-C480 HydrophobicContact CG2-CB 4.39Å; I445-V484 HydrophobicContact CB-CG2 3.97Å; I445-V484 HydrophobicContact CD1-CG2 4.23Å; I445-V484 HydrophobicContact CG2-CG2 3.55Å; I445-L487 HydrophobicContact CD1-CD1 3.69Å
446F96.6Very high91.8Very high3 Ų340.6 Ų40.61%0.01320%0.204CC..Hα-helixtrans-63.4-31.5179.2-73.4-49.9000113.5L442 L449 H450 L481 V484 G508 A511 L512 L552L442-F446 HydrophobicContact CB-CD2 4.41Å; L442-F446 HydrophobicContact CB-CE2 4.37Å; L442-F446 WeakPolarHBondContact O-CB 3.49Å; L442-F446 WeakPolarHBondContact O-CD2 3.44Å; L442-F446 WeakPolarHBondContact O-CG 3.18Å; L442-F446 PolarHBondContact O-N 3.14Å; F446-L449 HydrophobicContact CD1-CD2 4.4Å; F446-H450 WeakPolarHBondContact O-CB 3Å; F446-H450 PolarHBondContact O-N 2.78Å; F446-L481 HydrophobicContact CE1-CD2 4.26Å; F446-V484 HydrophobicContact CE1-CB 4.48Å; F446-V484 HydrophobicContact CE1-CG1 4.39Å; F446-V484 HydrophobicContact CE1-CG2 4.05Å; F446-V484 HydrophobicContact CE2-CG1 3.97Å; F446-V484 HydrophobicContact CE2-CG2 4.47Å; F446-V484 HydrophobicContact CZ-CB 4.17Å; F446-V484 HydrophobicContact CZ-CG1 3.62Å; F446-V484 HydrophobicContact CZ-CG2 4.04Å; F446-G508 WeakPolarHBondContact CD2-O 3.22Å; F446-A511 HydrophobicContact CB-CB 3.69Å; F446-A511 HydrophobicContact CD2-CB 4.45Å; F446-L512 HydrophobicContact CD1-CB 4.3Å; F446-L512 HydrophobicContact CD1-CD1 4.1Å; F446-L512 HydrophobicContact CD2-CB 3.92Å; F446-L512 HydrophobicContact CE1-CB 4.19Å; F446-L512 HydrophobicContact CE1-CD1 3.62Å; F446-L512 HydrophobicContact CE1-CG 4.4Å; F446-L512 HydrophobicContact CE2-CB 3.79Å; F446-L512 HydrophobicContact CG-CB 4.19Å; F446-L512 HydrophobicContact CZ-CB 3.92Å; F446-L512 HydrophobicContact CZ-CD1 3.91Å; F446-L512 HydrophobicContact CZ-CD2 4.33Å; F446-L512 HydrophobicContact CZ-CG 4.27Å; F446-L552 HydrophobicContact CE1-CD2 3.88Å; F446-L552 HydrophobicContact CZ-CD1 4.28Å; F446-L552 HydrophobicContact CZ-CD2 3.87Å
447K95.1Very high91Very high110 Ų11042.6 Ų42.648%0.47821%0.213SC..Hα-helixtrans-71.3-39.6174.1-77.1176179.6-167.80112.3S443 H444 I445 L449 H450 S451 A511S443-K447 VanDerWaalsContact O-CB 3.26Å; S443-K447 WeakPolarHBondContact O-CB 3.39Å; S443-K447 WeakPolarHBondContact O-CD 3.22Å; S443-K447 WeakPolarHBondContact O-CG 3.33Å; S443-K447 PolarHBondContact O-N 2.93Å; S443-K447 VanDerWaalsContact O-N 3.16Å; H444-K447 PolarHBondContact O-N 3.02Å; I445-K447 VanDerWaalsContact C-N 3.27Å; I445-K447 PolarHBondContact O-N 3.19Å; K447-L449 VanDerWaalsContact C-N 3.34Å; K447-H450 PolarHBondContact O-N 3.02Å; K447-S451 PolarHBondContact O-N 3.38Å; K447-S451 PolarHBondContact O-OG 3.39Å; K447-S451 VanDerWaalsContact O-OG 3.14Å; K447-A511 HydrophobicContact CG-CB 4.45Å
448A93.6Very high90.1Very high6 Ų641.8 Ų41.85%0.0521%0.213CC..Hα-helixtrans-62.5-43.7174.500000111.2P401 L404 H444 I445 S451 R452P401-A448 HydrophobicContact CB-CB 4.02Å; P401-A448 HydrophobicContact CG-CB 4.03Å; L404-A448 HydrophobicContact CD2-CB 4.35Å; H444-A448 PolarHBondContact O-N 3.01Å; H444-A448 VanDerWaalsContact O-N 3.14Å; I445-A448 WeakPolarHBondContact O-CB 3.49Å; I445-A448 PolarHBondContact O-N 2.93Å; I445-A448 VanDerWaalsContact O-N 3.15Å; A448-S451 WeakPolarHBondContact CA-OG 3.34Å; A448-S451 PolarHBondContact O-N 3.43Å; A448-S451 PolarHBondContact O-OG 3.5Å; A448-R452 PolarHBondContact O-N 3.04Å
449L93.2Very high89.1Confident0 Ų047.1 Ų47.10%024%0.237CC..Hα-helixtrans-57.6-55.1172.117460000111I445 F446 K447 S451 R452 C453 F476 I477 C480 L481 F515I445-L449 PolarHBondContact O-N 3.12Å; F446-L449 HydrophobicContact CD1-CD2 4.4Å; K447-L449 VanDerWaalsContact C-N 3.34Å; L449-S451 VanDerWaalsContact C-N 3.32Å; L449-S451 PolarHBondContact O-N 2.96Å; L449-R452 PolarHBondContact O-N 3.3Å; L449-R452 VanDerWaalsContact O-N 3.08Å; L449-C453 PolarHBondContact O-N 3.2Å; L449-C453 PolarHBondContact O-SG 3.35Å; L449-C453 VanDerWaalsContact O-SG 3.34Å; L449-F476 HydrophobicContact CD1-CD2 4.25Å; L449-F476 HydrophobicContact CD1-CE2 3.91Å; L449-I477 HydrophobicContact CD1-CB 4.09Å; L449-I477 HydrophobicContact CD1-CG1 3.85Å; L449-I477 HydrophobicContact CD1-CG2 3.95Å; L449-I477 HydrophobicContact CD2-CG2 4.39Å; L449-C480 HydrophobicContact CB-CB 4.35Å; L449-C480 HydrophobicContact CD1-CB 4.16Å; L449-C480 HydrophobicContact CD2-CB 4.23Å; L449-C480 HydrophobicContact CG-CB 4.49Å; L449-L481 HydrophobicContact CD2-CD2 3.87Å; L449-F515 HydrophobicContact CD2-CD1 4.42Å; L449-F515 HydrophobicContact CD2-CD2 4.04Å; L449-F515 HydrophobicContact CD2-CE2 4.36Å; L449-F515 HydrophobicContact CD2-CG 4.07Å; L449-F515 HydrophobicContact CG-CD2 4.31Å
450H91.3Very high87.8Confident38 Ų3851.1 Ų51.118%0.17626%0.261CS..Hα-helixtrans-60.5-38.9-178.1178.2-85.8000112.5F446 K447 R452 C453 V454 M514F446-H450 WeakPolarHBondContact O-CB 3Å; F446-H450 PolarHBondContact O-N 2.78Å; K447-H450 PolarHBondContact O-N 3.02Å; H450-R452 PolarHBondContact O-N 2.79Å; H450-C453 PolarHBondContact O-N 3.01Å; H450-V454 WeakPolarHBondContact O-CG2 3.29Å; H450-V454 PolarHBondContact O-N 2.83Å; H450-M514 VanDerWaalsContact CD2-CB 3.44Å; H450-M514 WeakPolarHBondContact CD2-CB 3.48Å; H450-M514 WeakPolarHBondContact ND1-CE 3.16Å
451S90.7Very high87.1Confident64 Ų6451 Ų5145%0.44827%0.267SS..Hα-helixtrans-59.6-29.6177.748.60000113.2K447 A448 L449K447-S451 PolarHBondContact O-N 3.38Å; K447-S451 PolarHBondContact O-OG 3.39Å; K447-S451 VanDerWaalsContact O-OG 3.14Å; A448-S451 WeakPolarHBondContact CA-OG 3.34Å; A448-S451 PolarHBondContact O-N 3.43Å; A448-S451 PolarHBondContact O-OG 3.5Å; L449-S451 VanDerWaalsContact C-N 3.32Å; L449-S451 PolarHBondContact O-N 2.96Å
452R87.7Confident86.7Confident69 Ų6952 Ų5226%0.2627%0.274SS..Hα-helixtrans-86.7-34.5175.6-64.1-65.2163-168.44.1113D405 I408 A448 L449 H450 V454 E455 Y456 F476D405-R452 IonicContact OD1-CZ 3.68Å; D405-R452 IonicContact OD1-NE 3.95Å; D405-R452 PolarHBondContact OD1-NE 2.82Å; D405-R452 IonicContact OD1-NH2 2.71Å; D405-R452 PolarHBondContact OD1-NH2 2.99Å; D405-R452 IonicContact OD2-CZ 2.8Å; D405-R452 IonicContact OD2-NE 2.63Å; D405-R452 IonicContact OD2-NH2 3.32Å; D405-R452 PolarHBondContact OD2-NH2 3.01Å; I408-R452 HydrophobicContact CD1-CB 4.24Å; I408-R452 HydrophobicContact CD1-CG 3.91Å; A448-R452 PolarHBondContact O-N 3.04Å; L449-R452 PolarHBondContact O-N 3.3Å; L449-R452 VanDerWaalsContact O-N 3.08Å; H450-R452 PolarHBondContact O-N 2.79Å; R452-V454 PolarHBondContact O-N 3.45Å; R452-E455 IonicContact CZ-OE1 3.97Å; R452-E455 IonicContact NH1-OE1 2.64Å; R452-E455 PolarHBondContact NH1-OE1 3.39Å; R452-E455 PolarHBondContact O-N 2.99Å; R452-Y456 WeakPolarHBondContact O-CD2 3.43Å; R452-F476 HydrophobicContact CB-CE2 3.87Å; R452-F476 HydrophobicContact CB-CZ 4.04Å
453C86Confident86.2Confident0 Ų051.9 Ų51.90%027%0.273CS..Hα-helixtrans-57.2-32.6173.1-69.30000112.8L449 H450 E455 Y456 H457 L463L449-C453 PolarHBondContact O-N 3.2Å; L449-C453 PolarHBondContact O-SG 3.35Å; L449-C453 VanDerWaalsContact O-SG 3.34Å; H450-C453 PolarHBondContact O-N 3.01Å; C453-E455 PolarHBondContact O-N 3.14Å; C453-E455 VanDerWaalsContact O-N 3.15Å; C453-Y456 PolarHBondContact O-N 3.06Å; C453-H457 VanDerWaalsContact C-CE1 3.48Å; C453-H457 PolarHBondContact O-CD2 2.98Å; C453-H457 VanDerWaalsContact O-CD2 3.28Å; C453-H457 PolarHBondContact O-CE1 3.41Å; C453-H457 PolarHBondContact O-N 3.48Å; C453-H457 PolarHBondContact O-NE2 3.3Å; C453-H457 VanDerWaalsContact O-NE2 3.14Å; C453-L463 HydrophobicContact CB-CD2 4.08Å
454V81.4Confident85.4Confident79 Ų7953.9 Ų53.948%0.47929%0.285SS..G310 helixtrans-55.8-30178.6172.80000113.4H450 R452 Y456 H457H450-V454 WeakPolarHBondContact O-CG2 3.29Å; H450-V454 PolarHBondContact O-N 2.83Å; R452-V454 PolarHBondContact O-N 3.45Å; V454-Y456 PolarHBondContact O-N 3.4Å; V454-H457 WeakPolarHBondContact CA-ND1 3.44Å
455E79.2Confident84.4Confident119 Ų11952.1 Ų52.156%0.55628%0.277SS*.G310 helixtrans-70.5-16.7177.5-61.5175.9-149.500112.8R452 C453R452-E455 IonicContact CZ-OE1 3.97Å; R452-E455 IonicContact NH1-OE1 2.64Å; R452-E455 PolarHBondContact NH1-OE1 3.39Å; R452-E455 PolarHBondContact O-N 2.99Å; C453-E455 PolarHBondContact O-N 3.14Å; C453-E455 VanDerWaalsContact O-N 3.15Å
456Y80.9Confident82.7Confident58 Ų5861.8 Ų61.823%0.22731%0.313CS..G310 helixtrans-113.89.2-175.8-55.6-80.3000113.4R452 C453 V454 L463 T464 P473 F476R452-Y456 WeakPolarHBondContact O-CD2 3.43Å; C453-Y456 PolarHBondContact O-N 3.06Å; V454-Y456 PolarHBondContact O-N 3.4Å; Y456-L463 CarbonylContact O-C 3.54Å; Y456-L463 WeakPolarHBondContact O-CA 3.48Å; Y456-T464 PolarHBondContact O-N 3.35Å; Y456-T464 PolarHBondContact O-OG1 3.34Å; Y456-P473 HydrophobicContact CD1-CB 4.3Å; Y456-P473 HydrophobicContact CD1-CG 4.26Å; Y456-P473 HydrophobicContact CD2-CB 4.35Å; Y456-P473 HydrophobicContact CE1-CB 4.2Å; Y456-P473 HydrophobicContact CE1-CG 4.25Å; Y456-P473 HydrophobicContact CE2-CB 4.24Å; Y456-P473 HydrophobicContact CG-CB 4.37Å; Y456-F476 HydrophobicContact CD2-CZ 4.35Å; Y456-F476 AromaticContact CE2-CE1 3.83Å; Y456-F476 HydrophobicContact CE2-CE1 3.83Å; Y456-F476 AromaticContact CE2-CZ 3.93Å; Y456-F476 HydrophobicContact CE2-CZ 3.93Å
457H78.7Confident80.7Confident44 Ų4471.1 Ų71.120%0.20435%0.348CS..BIsolated β-bridgetrans-84.9148176.5-61.4150.1000112.3C453 V454 G461 P462 L463 C518C453-H457 VanDerWaalsContact C-CE1 3.48Å; C453-H457 PolarHBondContact O-CD2 2.98Å; C453-H457 VanDerWaalsContact O-CD2 3.28Å; C453-H457 PolarHBondContact O-CE1 3.41Å; C453-H457 PolarHBondContact O-N 3.48Å; C453-H457 PolarHBondContact O-NE2 3.3Å; C453-H457 VanDerWaalsContact O-NE2 3.14Å; V454-H457 WeakPolarHBondContact CA-ND1 3.44Å; H457-G461 PolarHBondContact CD2-O 2.9Å; H457-G461 VanDerWaalsContact CG-O 3.25Å; H457-P462 CarbonylContact C-O 3.57Å; H457-P462 WeakPolarHBondContact CA-O 3.13Å; H457-L463 WeakPolarHBondContact CD2-CD2 3.48Å; H457-L463 WeakPolarHBondContact NE2-CD2 3.42Å; H457-C518 PolarHBondContact CE1-SG 3.23Å; H457-C518 WeakPolarHBondContact NE2-CB 2.78Å; H457-C518 PolarHBondContact NE2-SG 3.07Å
458T74.4Confident78.4Confident48 Ų4873.2 Ų73.229%0.29436%0.36SS..  trans-68.4164.4160.653.10000111.7D460 G461 P462 T464T458-D460 PolarHBondContact O-N 2.92Å; T458-D460 VanDerWaalsContact O-N 3.14Å; T458-G461 PolarHBondContact O-N 2.99Å; T458-G461 PolarHBondContact OG1-N 3Å; T458-P462 PolarHBondContact N-O 2.9Å; T458-P462 VanDerWaalsContact OG1-CD 3.3Å; T458-P462 WeakPolarHBondContact OG1-CD 3.44Å; T458-P462 PolarHBondContact OG1-O 2.59Å; T458-P462 VanDerWaalsContact OG1-O 3.05Å; T458-T464 HydrophobicContact CG2-CG2 3.2Å
459D70.8Confident76Confident178 Ų17878.4 Ų78.495%0.95239%0.391SS*.THydrogen-bonded Turntrans-54.3-29.1170.3-64.6-33.7000112.4
460D66.7Low73.9Confident153 Ų15381.2 Ų81.282%0.81842%0.419SS*.THydrogen-bonded Turntrans-82.9-10.4179.1-65.2-38.4000113.9T458 P462T458-D460 PolarHBondContact O-N 2.92Å; T458-D460 VanDerWaalsContact O-N 3.14Å; D460-P462 WeakPolarHBondContact O-CD 3.48Å
461G80.1Confident72Confident30 Ų3081.3 Ų81.331%0.30942%0.421SS..SBendtrans111.6-34.6175.800000117.7H457 T458H457-G461 PolarHBondContact CD2-O 2.9Å; H457-G461 VanDerWaalsContact CG-O 3.25Å; T458-G461 PolarHBondContact O-N 2.99Å; T458-G461 PolarHBondContact OG1-N 3Å
462P87.9Confident70.7Confident21 Ų2182.1 Ų82.114%0.13642%0.417CS..  trans-67.1151.3179.9-22.931.2000114H457 T458 D460 C518 Q520 M522H457-P462 CarbonylContact C-O 3.57Å; H457-P462 WeakPolarHBondContact CA-O 3.13Å; T458-P462 PolarHBondContact N-O 2.9Å; T458-P462 VanDerWaalsContact OG1-CD 3.3Å; T458-P462 WeakPolarHBondContact OG1-CD 3.44Å; T458-P462 PolarHBondContact OG1-O 2.59Å; T458-P462 VanDerWaalsContact OG1-O 3.05Å; D460-P462 WeakPolarHBondContact O-CD 3.48Å; P462-C518 CarbonylContact C-O 3.56Å; P462-C518 VanDerWaalsContact CA-O 3.27Å; P462-C518 WeakPolarHBondContact CA-O 3.33Å; P462-Q520 WeakPolarHBondContact CG-O 3.17Å; P462-M522 HydrophobicContact CB-CG 4.21Å
463L87.5Confident69.8Low1 Ų179.6 Ų79.61%0.00541%0.41CS..BIsolated β-bridgetrans-64.1140.9171.6-72162.7000111.3C453 Y456 H457 F465 F515 C518 M519 M522 L545C453-L463 HydrophobicContact CB-CD2 4.08Å; Y456-L463 CarbonylContact O-C 3.54Å; Y456-L463 WeakPolarHBondContact O-CA 3.48Å; H457-L463 WeakPolarHBondContact CD2-CD2 3.48Å; H457-L463 WeakPolarHBondContact NE2-CD2 3.42Å; L463-F465 HydrophobicContact CB-CE2 4.49Å; L463-F465 HydrophobicContact CB-CZ 4.05Å; L463-F465 HydrophobicContact CD1-CZ 4.48Å; L463-F515 HydrophobicContact CD1-CE2 4.23Å; L463-C518 HydrophobicContact CD1-CB 4.15Å; L463-C518 HydrophobicContact CG-CB 4Å; L463-C518 PolarHBondContact N-O 2.96Å; L463-M519 HydrophobicContact CD1-CG 4.35Å; L463-M522 HydrophobicContact CB-CG 4.32Å; L463-M522 HydrophobicContact CB-SD 3.75Å; L463-M522 HydrophobicContact CD1-SD 4.2Å; L463-L545 HydrophobicContact CD1-CD2 3.94Å
464T78.4Confident69.4Low46 Ų4680.7 Ų80.728%0.28242%0.416SS..  trans-127.4144.5169.650.60000111.8Y456 T458Y456-T464 PolarHBondContact O-N 3.35Å; Y456-T464 PolarHBondContact O-OG1 3.34Å; T458-T464 HydrophobicContact CG2-CG2 3.2Å
465F75.1Confident69.4Low27 Ų2779.4 Ų79.412%0.11841%0.411CS..  trans-115.881.7-179.4-51.7-69.3000108.8L463 P473 V474 M522 T541 A542 L545L463-F465 HydrophobicContact CB-CE2 4.49Å; L463-F465 HydrophobicContact CB-CZ 4.05Å; L463-F465 HydrophobicContact CD1-CZ 4.48Å; F465-P473 HydrophobicContact CD1-CG 3.67Å; F465-P473 HydrophobicContact CE1-CB 4.42Å; F465-P473 HydrophobicContact CE1-CG 3.99Å; F465-V474 HydrophobicContact CE1-CG2 4.29Å; F465-M522 HydrophobicContact CE2-SD 4.24Å; F465-M522 HydrophobicContact CZ-SD 4.49Å; F465-T541 HydrophobicContact CB-CG2 3.75Å; F465-T541 HydrophobicContact CD1-CG2 3.69Å; F465-T541 HydrophobicContact CD2-CG2 3.58Å; F465-T541 HydrophobicContact CE1-CG2 4.17Å; F465-T541 HydrophobicContact CE2-CG2 4.08Å; F465-T541 HydrophobicContact CG-CG2 3.36Å; F465-T541 HydrophobicContact CZ-CG2 4.36Å; F465-A542 HydrophobicContact CD2-CB 4.37Å; F465-A542 HydrophobicContact CE2-CB 4.04Å; F465-L545 HydrophobicContact CZ-CD2 3.77Å
466R62Low69.7Low203 Ų20373.7 Ų73.777%0.76638%0.384SS*.  trans-76.9151.4170-67.2-172.8-177-173.12.5109.5E468R466-E468 PolarHBondContact O-N 2.76Å
467R55.2Low70.2Confident199 Ų19971 Ų7175%0.75137%0.374SS*.  trans-65.281.5171.9-74.2-176.3176.11655.1109.6I538R467-I538 HydrophobicContact CG-CD1 3.92Å
468E46.9Very low70.7Confident155 Ų15569.7 Ų69.772%0.72437%0.372SS*.  trans-111.3152.3170.1-69.4-174.3-173.900110.8R466 G470R466-E468 PolarHBondContact O-N 2.76Å; E468-G470 PolarHBondContact O-N 3.37Å
469V42.7Very low71.4Confident115 Ų11568 Ų6870%0.69736%0.361SS*.SBendtrans-83.9106.2-170.3-1760000109.4
470G49Very low72.5Confident58 Ų5859.5 Ų59.560%0.59832%0.316SS*.SBendtrans165.2-178.7177.300000112.8E468 H472E468-G470 PolarHBondContact O-N 3.37Å; G470-H472 PolarHBondContact O-N 2.74Å; G470-H472 VanDerWaalsContact O-N 3.12Å
471I50.7Low73.8Confident41 Ų4152.2 Ų52.221%0.2128%0.277CS..SBendtrans-55.9122.8172.8-63.8172.5000108.3Y407 I408 D410Y407-I471 WeakPolarHBondContact O-CD1 3.23Å; I408-I471 WeakPolarHBondContact O-CD1 3.43Å; D410-I471 WeakPolarHBondContact O-CD1 3.25Å; D410-I471 WeakPolarHBondContact O-CG1 3.36Å
472H63.9Low74.4Confident80 Ų8056 Ų5637%0.3728%0.284SS..  trans-56.7127.2-179-168.5-58.6000109.3G470 V474 S475 T541G470-H472 PolarHBondContact O-N 2.74Å; G470-H472 VanDerWaalsContact O-N 3.12Å; H472-V474 WeakPolarHBondContact ND1-CB 3.5Å; H472-V474 PolarHBondContact ND1-N 2.68Å; H472-V474 PolarHBondContact O-N 2.88Å; H472-S475 WeakPolarHBondContact O-CB 3.27Å; H472-S475 PolarHBondContact O-N 3.29Å; H472-T541 WeakPolarHBondContact CE1-CG2 3.45Å; H472-T541 VanDerWaalsContact NE2-CG2 3.32Å; H472-T541 WeakPolarHBondContact NE2-CG2 3.1Å; H472-T541 PolarHBondContact NE2-OG1 3.39Å
473P69.6Low74.7Confident16 Ų1655 Ų5510%0.10428%0.278CS..Hα-helixtrans-52.7-34.1-17415.6-31.7000114.1Y456 F465 S475 F476 I477Y456-P473 HydrophobicContact CD1-CB 4.3Å; Y456-P473 HydrophobicContact CD1-CG 4.26Å; Y456-P473 HydrophobicContact CD2-CB 4.35Å; Y456-P473 HydrophobicContact CE1-CB 4.2Å; Y456-P473 HydrophobicContact CE1-CG 4.25Å; Y456-P473 HydrophobicContact CE2-CB 4.24Å; Y456-P473 HydrophobicContact CG-CB 4.37Å; F465-P473 HydrophobicContact CD1-CG 3.67Å; F465-P473 HydrophobicContact CE1-CB 4.42Å; F465-P473 HydrophobicContact CE1-CG 3.99Å; P473-S475 PolarHBondContact O-N 2.8Å; P473-S475 VanDerWaalsContact O-N 3.15Å; P473-F476 VanDerWaalsContact CA-CE1 3.41Å; P473-F476 HydrophobicContact CB-CD1 4.36Å; P473-F476 HydrophobicContact CB-CE1 3.65Å; P473-F476 HydrophobicContact CB-CZ 4.37Å; P473-F476 WeakPolarHBondContact O-CD1 3.43Å; P473-F476 WeakPolarHBondContact O-CE1 3.5Å; P473-F476 PolarHBondContact O-N 3.46Å; P473-I477 HydrophobicContact CB-CD1 4.46Å; P473-I477 VanDerWaalsContact O-CG1 3.23Å; P473-I477 WeakPolarHBondContact O-CG1 3.4Å; P473-I477 PolarHBondContact O-N 2.96Å; P473-I477 VanDerWaalsContact O-N 3.12Å
474V77.2Confident75.1Confident23 Ų2354.9 Ų54.914%0.13928%0.278CS..Hα-helixtrans-51.2-33.5171.7175.80000114.4F465 H472 G478 T541 N544 L545F465-V474 HydrophobicContact CE1-CG2 4.29Å; H472-V474 WeakPolarHBondContact ND1-CB 3.5Å; H472-V474 PolarHBondContact ND1-N 2.68Å; H472-V474 PolarHBondContact O-N 2.88Å; V474-G478 PolarHBondContact O-N 3.18Å; V474-T541 HydrophobicContact CG2-CG2 3.44Å; V474-T541 VanDerWaalsContact CG2-CG2 3.44Å; V474-N544 HydrophobicContact CG1-CB 4.18Å; V474-L545 HydrophobicContact CG2-CB 4.18Å
475S81.2Confident75.9Confident52 Ų5253.3 Ų53.336%0.36427%0.269SS..Hα-helixtrans-65.8-50.5-178.3-162.40000112Y407 H472 P473 G478 Q479Y407-S475 PolarHBondContact OH-OG 3.49Å; H472-S475 WeakPolarHBondContact O-CB 3.27Å; H472-S475 PolarHBondContact O-N 3.29Å; P473-S475 PolarHBondContact O-N 2.8Å; P473-S475 VanDerWaalsContact O-N 3.15Å; S475-G478 PolarHBondContact O-N 2.7Å; S475-Q479 WeakPolarHBondContact O-CB 3.39Å; S475-Q479 PolarHBondContact O-N 3.27Å
476F86.3Confident76.7Confident0 Ų053.8 Ų53.80%027%0.27CS..Hα-helixtrans-71.7-34.4179.182.7-103.1000112.4L404 Y407 I408 L449 R452 Y456 P473 Q479 C480L404-F476 HydrophobicContact CD1-CB 4.01Å; L404-F476 HydrophobicContact CD1-CD2 4.21Å; Y407-F476 HydrophobicContact CD1-CB 3.98Å; Y407-F476 HydrophobicContact CE1-CB 3.93Å; I408-F476 HydrophobicContact CD1-CB 4.19Å; I408-F476 HydrophobicContact CD1-CD1 3.92Å; I408-F476 HydrophobicContact CD1-CD2 3.88Å; I408-F476 HydrophobicContact CD1-CE1 4.23Å; I408-F476 HydrophobicContact CD1-CE2 4.24Å; I408-F476 HydrophobicContact CD1-CG 3.74Å; I408-F476 HydrophobicContact CD1-CZ 4.41Å; I408-F476 HydrophobicContact CG1-CB 3.64Å; I408-F476 HydrophobicContact CG1-CD1 3.72Å; I408-F476 HydrophobicContact CG1-CD2 4.28Å; I408-F476 HydrophobicContact CG1-CE1 4.44Å; I408-F476 HydrophobicContact CG1-CG 3.63Å; L449-F476 HydrophobicContact CD1-CD2 4.25Å; L449-F476 HydrophobicContact CD1-CE2 3.91Å; R452-F476 HydrophobicContact CB-CE2 3.87Å; R452-F476 HydrophobicContact CB-CZ 4.04Å; Y456-F476 HydrophobicContact CD2-CZ 4.35Å; Y456-F476 AromaticContact CE2-CE1 3.83Å; Y456-F476 HydrophobicContact CE2-CE1 3.83Å; Y456-F476 AromaticContact CE2-CZ 3.93Å; Y456-F476 HydrophobicContact CE2-CZ 3.93Å; P473-F476 VanDerWaalsContact CA-CE1 3.41Å; P473-F476 HydrophobicContact CB-CD1 4.36Å; P473-F476 HydrophobicContact CB-CE1 3.65Å; P473-F476 HydrophobicContact CB-CZ 4.37Å; P473-F476 WeakPolarHBondContact O-CD1 3.43Å; P473-F476 WeakPolarHBondContact O-CE1 3.5Å; P473-F476 PolarHBondContact O-N 3.46Å; F476-Q479 PolarHBondContact O-N 3.21Å; F476-C480 PolarHBondContact O-N 2.91Å; F476-C480 PolarHBondContact O-SG 3Å
477I89.8Confident78.3Confident1 Ų144.2 Ų44.21%0.00523%0.234CC..Hα-helixtrans-63.5-51.9174.2-59.2165.1000109L449 P473 Q479 C480 L481 F515 L545L449-I477 HydrophobicContact CD1-CB 4.09Å; L449-I477 HydrophobicContact CD1-CG1 3.85Å; L449-I477 HydrophobicContact CD1-CG2 3.95Å; L449-I477 HydrophobicContact CD2-CG2 4.39Å; P473-I477 HydrophobicContact CB-CD1 4.46Å; P473-I477 VanDerWaalsContact O-CG1 3.23Å; P473-I477 WeakPolarHBondContact O-CG1 3.4Å; P473-I477 PolarHBondContact O-N 2.96Å; P473-I477 VanDerWaalsContact O-N 3.12Å; I477-Q479 VanDerWaalsContact C-N 3.29Å; I477-Q479 PolarHBondContact O-N 3.41Å; I477-C480 WeakPolarHBondContact O-CB 3.28Å; I477-C480 PolarHBondContact O-N 3.41Å; I477-C480 VanDerWaalsContact O-N 3.07Å; I477-L481 HydrophobicContact CG2-CD1 3.93Å; I477-L481 HydrophobicContact CG2-CG 4.13Å; I477-L481 VanDerWaalsContact O-CG 3.32Å; I477-L481 WeakPolarHBondContact O-CG 3.19Å; I477-L481 PolarHBondContact O-N 2.86Å; I477-F515 HydrophobicContact CG2-CE2 3.73Å; I477-F515 HydrophobicContact CG2-CZ 3.63Å; I477-L545 HydrophobicContact CB-CD1 3.86Å; I477-L545 HydrophobicContact CD1-CD1 3.99Å; I477-L545 HydrophobicContact CD1-CD2 4.38Å; I477-L545 HydrophobicContact CG2-CD1 3.31Å
478G89.8Confident80.1Confident17 Ų1734.8 Ų34.818%0.17520%0.198CC..Hα-helixtrans-55.6-42.3178.400000112.7V474 S475 L481 K482V474-G478 PolarHBondContact O-N 3.18Å; S475-G478 PolarHBondContact O-N 2.7Å; G478-L481 PolarHBondContact O-N 3.23Å; G478-K482 WeakPolarHBondContact O-CB 3.38Å; G478-K482 PolarHBondContact O-N 2.91Å
479Q89.8Confident82.2Confident12 Ų1230 Ų306%0.05618%0.179CC..Hα-helixtrans-61.6-45.6175.1-177.753.730.700112.3Y407 L414 S475 F476 I477 L481 K482 D483Y407-Q479 HydrophobicContact CE1-CB 4.28Å; L414-Q479 HydrophobicContact CD1-CG 3.96Å; S475-Q479 WeakPolarHBondContact O-CB 3.39Å; S475-Q479 PolarHBondContact O-N 3.27Å; F476-Q479 PolarHBondContact O-N 3.21Å; I477-Q479 VanDerWaalsContact C-N 3.29Å; I477-Q479 PolarHBondContact O-N 3.41Å; Q479-L481 PolarHBondContact O-N 3.01Å; Q479-K482 WeakPolarHBondContact O-CB 3.44Å; Q479-K482 PolarHBondContact O-N 3.23Å; Q479-D483 PolarHBondContact NE2-OD1 2.91Å; Q479-D483 PolarHBondContact NE2-OD2 3.2Å; Q479-D483 WeakPolarHBondContact O-CB 3.39Å; Q479-D483 VanDerWaalsContact O-CG 3.25Å; Q479-D483 PolarHBondContact O-N 3.42Å
480C93.3Very high84.2Confident0 Ų026 Ų260%015%0.154CC..Hα-helixtrans-61.8-42.5176.4-700000112.8Y400 L404 I445 L449 F476 I477 K482 D483 V484Y400-C480 WeakPolarHBondContact OH-CA 3.34Å; Y400-C480 PolarHBondContact OH-SG 3.35Å; L404-C480 VanDerWaalsContact CD1-SG 3.51Å; I445-C480 HydrophobicContact CG2-CB 4.39Å; L449-C480 HydrophobicContact CB-CB 4.35Å; L449-C480 HydrophobicContact CD1-CB 4.16Å; L449-C480 HydrophobicContact CD2-CB 4.23Å; L449-C480 HydrophobicContact CG-CB 4.49Å; F476-C480 PolarHBondContact O-N 2.91Å; F476-C480 PolarHBondContact O-SG 3Å; I477-C480 WeakPolarHBondContact O-CB 3.28Å; I477-C480 PolarHBondContact O-N 3.41Å; I477-C480 VanDerWaalsContact O-N 3.07Å; C480-K482 VanDerWaalsContact C-N 3.33Å; C480-D483 PolarHBondContact O-N 3.47Å; C480-V484 WeakPolarHBondContact O-CG2 3.48Å; C480-V484 PolarHBondContact O-N 3.05Å
481L94.4Very high86.2Confident0 Ų025.7 Ų25.70%014%0.141CC..Hα-helixtrans-65.9-38.2178.6-58.8179.8000111.2F446 L449 I477 G478 Q479 V484 S485 F515 L552F446-L481 HydrophobicContact CE1-CD2 4.26Å; L449-L481 HydrophobicContact CD2-CD2 3.87Å; I477-L481 HydrophobicContact CG2-CD1 3.93Å; I477-L481 HydrophobicContact CG2-CG 4.13Å; I477-L481 VanDerWaalsContact O-CG 3.32Å; I477-L481 WeakPolarHBondContact O-CG 3.19Å; I477-L481 PolarHBondContact O-N 2.86Å; G478-L481 PolarHBondContact O-N 3.23Å; Q479-L481 PolarHBondContact O-N 3.01Å; L481-V484 PolarHBondContact O-N 3.47Å; L481-S485 PolarHBondContact O-N 3.4Å; L481-S485 PolarHBondContact O-OG 2.98Å; L481-F515 HydrophobicContact CD1-CE1 4.18Å; L481-F515 HydrophobicContact CD1-CZ 4.3Å; L481-F515 HydrophobicContact CD2-CD1 4.39Å; L481-F515 HydrophobicContact CD2-CE1 3.99Å; L481-L552 HydrophobicContact CB-CD2 4.21Å; L481-L552 HydrophobicContact CD2-CD2 3.56Å; L481-L552 HydrophobicContact CG-CD2 4.4Å
482K92.3Very high88Confident108 Ų10823.9 Ų23.947%0.4713%0.131SC..Hα-helixtrans-63.6-44174.1-164.3-178.7-166.1-171.50111.9G478 Q479 C480 V484 S485 Y486G478-K482 WeakPolarHBondContact O-CB 3.38Å; G478-K482 PolarHBondContact O-N 2.91Å; Q479-K482 WeakPolarHBondContact O-CB 3.44Å; Q479-K482 PolarHBondContact O-N 3.23Å; C480-K482 VanDerWaalsContact C-N 3.33Å; K482-V484 VanDerWaalsContact C-N 3.35Å; K482-V484 PolarHBondContact O-N 2.72Å; K482-S485 WeakPolarHBondContact O-CA 3.4Å; K482-S485 VanDerWaalsContact O-CB 3.29Å; K482-S485 WeakPolarHBondContact O-CB 3.26Å; K482-S485 PolarHBondContact O-N 2.78Å; K482-Y486 WeakPolarHBondContact CD-OH 3.49Å; K482-Y486 WeakPolarHBondContact CE-OH 3.19Å; K482-Y486 HydrophobicContact CG-CE1 4.13Å; K482-Y486 HydrophobicContact CG-CE2 4.23Å; K482-Y486 PolarHBondContact NZ-OH 2.81Å; K482-Y486 PolarHBondContact O-N 3.43Å
483D94.1Very high89.2Confident0 Ų027.1 Ų27.10%014%0.144CC..Hα-helixtrans-64.8-37.9179.3-73.4-15.8000112.7Y400 S422 F426 Q479 C480 S485 Y486 L487Y400-D483 HydrophobicContact CE2-CB 4.3Å; Y400-D483 PolarHBondContact OH-OD2 2.84Å; Y400-D483 VanDerWaalsContact OH-OD2 3.06Å; S422-D483 WeakPolarHBondContact CB-OD1 3.39Å; S422-D483 WeakPolarHBondContact CB-OD2 3.45Å; S422-D483 PolarHBondContact OG-OD1 3.24Å; S422-D483 PolarHBondContact OG-OD2 3.02Å; F426-D483 HydrophobicContact CD2-CB 3.99Å; F426-D483 HydrophobicContact CE2-CB 4.07Å; Q479-D483 PolarHBondContact NE2-OD1 2.91Å; Q479-D483 PolarHBondContact NE2-OD2 3.2Å; Q479-D483 WeakPolarHBondContact O-CB 3.39Å; Q479-D483 VanDerWaalsContact O-CG 3.25Å; Q479-D483 PolarHBondContact O-N 3.42Å; C480-D483 PolarHBondContact O-N 3.47Å; D483-S485 VanDerWaalsContact C-N 3.34Å; D483-Y486 PolarHBondContact O-N 2.95Å; D483-Y486 WeakPolarHBondContact OD1-CE2 3.19Å; D483-L487 PolarHBondContact O-N 2.93Å
484V95.8Very high89.8Confident0 Ų035.2 Ų35.20%018%0.178CC..Hα-helixtrans-68.2-36.2170.9-179.90000111.5L442 I445 F446 C480 L481 K482 Y486 L487 L488 L552L442-V484 HydrophobicContact CD2-CG1 3.64Å; I445-V484 HydrophobicContact CB-CG2 3.97Å; I445-V484 HydrophobicContact CD1-CG2 4.23Å; I445-V484 HydrophobicContact CG2-CG2 3.55Å; F446-V484 HydrophobicContact CE1-CB 4.48Å; F446-V484 HydrophobicContact CE1-CG1 4.39Å; F446-V484 HydrophobicContact CE1-CG2 4.05Å; F446-V484 HydrophobicContact CE2-CG1 3.97Å; F446-V484 HydrophobicContact CE2-CG2 4.47Å; F446-V484 HydrophobicContact CZ-CB 4.17Å; F446-V484 HydrophobicContact CZ-CG1 3.62Å; F446-V484 HydrophobicContact CZ-CG2 4.04Å; C480-V484 WeakPolarHBondContact O-CG2 3.48Å; C480-V484 PolarHBondContact O-N 3.05Å; L481-V484 PolarHBondContact O-N 3.47Å; K482-V484 VanDerWaalsContact C-N 3.35Å; K482-V484 PolarHBondContact O-N 2.72Å; V484-Y486 VanDerWaalsContact C-N 3.29Å; V484-Y486 PolarHBondContact O-N 3.47Å; V484-L487 WeakPolarHBondContact O-CB 2.97Å; V484-L487 PolarHBondContact O-N 3.47Å; V484-L487 VanDerWaalsContact O-N 3.13Å; V484-L488 HydrophobicContact CG1-CD1 3.93Å; V484-L488 HydrophobicContact CG1-CG 4.31Å; V484-L488 WeakPolarHBondContact O-CG 3.24Å; V484-L488 PolarHBondContact O-N 2.85Å; V484-L488 VanDerWaalsContact O-N 3.09Å; V484-L552 HydrophobicContact CB-CD1 4.05Å; V484-L552 HydrophobicContact CG1-CD1 3.58Å
485S94.7Very high90.2Very high13 Ų1340.4 Ų40.49%0.09121%0.205CC..Hα-helixtrans-61.7-38.3176.2-57.80000111.7L481 K482 D483 L487 L488 T489L481-S485 PolarHBondContact O-N 3.4Å; L481-S485 PolarHBondContact O-OG 2.98Å; K482-S485 WeakPolarHBondContact O-CA 3.4Å; K482-S485 VanDerWaalsContact O-CB 3.29Å; K482-S485 WeakPolarHBondContact O-CB 3.26Å; K482-S485 PolarHBondContact O-N 2.78Å; D483-S485 VanDerWaalsContact C-N 3.34Å; S485-L487 VanDerWaalsContact C-N 3.34Å; S485-L487 PolarHBondContact O-N 3.39Å; S485-L488 CarbonylContact O-C 3.54Å; S485-L488 PolarHBondContact O-N 2.87Å; S485-L488 VanDerWaalsContact O-N 3.15Å; S485-T489 PolarHBondContact O-N 3.13Å; S485-T489 PolarHBondContact O-OG1 3.19Å
486Y92.6Very high90.6Very high37 Ų3742 Ų4215%0.14521%0.207CC..Hα-helixtrans-57.5-46.1171.9-60.6-34000111.8V423 F426 T427 K482 D483 V484 L488 T489V423-Y486 HydrophobicContact CB-CD2 4.43Å; V423-Y486 HydrophobicContact CB-CE2 3.82Å; V423-Y486 HydrophobicContact CG2-CE1 4.34Å; V423-Y486 HydrophobicContact CG2-CE2 3.99Å; F426-Y486 CarbonylContact O-C 2.86Å; T427-Y486 HydrophobicContact CG2-CD1 4.11Å; T427-Y486 HydrophobicContact CG2-CG 4.07Å; K482-Y486 WeakPolarHBondContact CD-OH 3.49Å; K482-Y486 WeakPolarHBondContact CE-OH 3.19Å; K482-Y486 HydrophobicContact CG-CE1 4.13Å; K482-Y486 HydrophobicContact CG-CE2 4.23Å; K482-Y486 PolarHBondContact NZ-OH 2.81Å; K482-Y486 PolarHBondContact O-N 3.43Å; D483-Y486 PolarHBondContact O-N 2.95Å; D483-Y486 WeakPolarHBondContact OD1-CE2 3.19Å; V484-Y486 VanDerWaalsContact C-N 3.29Å; V484-Y486 PolarHBondContact O-N 3.47Å; Y486-L488 VanDerWaalsContact C-N 3.25Å; Y486-L488 PolarHBondContact O-N 2.94Å; Y486-T489 PolarHBondContact O-N 2.95Å; Y486-T489 PolarHBondContact O-OG1 2.89Å
487L94.2Very high90.9Very high1 Ų142.7 Ų42.71%0.00521%0.21CC..Hα-helixtrans-60.6-34.1177.2-69.9172.9000112.9F426 A432 L435 I436 A441 L442 I445 D483 V484 S485F426-L487 HydrophobicContact CB-CD2 3.76Å; F426-L487 HydrophobicContact CB-CG 3.93Å; F426-L487 HydrophobicContact CD1-CD2 3.66Å; F426-L487 HydrophobicContact CD1-CG 4.24Å; F426-L487 HydrophobicContact CD2-CD2 4.49Å; F426-L487 HydrophobicContact CD2-CG 4.2Å; F426-L487 HydrophobicContact CE1-CD2 4.41Å; F426-L487 HydrophobicContact CG-CD2 3.73Å; F426-L487 HydrophobicContact CG-CG 3.88Å; A432-L487 HydrophobicContact CB-CD2 3.99Å; L435-L487 HydrophobicContact CD1-CD2 4.32Å; I436-L487 HydrophobicContact CD1-CB 4.21Å; I436-L487 WeakPolarHBondContact CD1-O 3.3Å; I436-L487 HydrophobicContact CG1-CB 4.45Å; A441-L487 HydrophobicContact CB-CD1 3.84Å; L442-L487 HydrophobicContact CD2-CB 4.36Å; L442-L487 HydrophobicContact CD2-CD1 4.3Å; I445-L487 HydrophobicContact CD1-CD1 3.69Å; D483-L487 PolarHBondContact O-N 2.93Å; V484-L487 WeakPolarHBondContact O-CB 2.97Å; V484-L487 PolarHBondContact O-N 3.47Å; V484-L487 VanDerWaalsContact O-N 3.13Å; S485-L487 VanDerWaalsContact C-N 3.34Å; S485-L487 PolarHBondContact O-N 3.39Å
488L94.2Very high91Very high1 Ų145.3 Ų45.31%0.00522%0.224CC..Hα-helixtrans-92.5-4.7-175.7-65.5176.9000114.2I436 L442 V484 S485 Y486 N490 F505 L552 L555 I556 W559I436-L488 HydrophobicContact CD1-CD2 4.3Å; L442-L488 HydrophobicContact CD1-CD2 4.04Å; L442-L488 HydrophobicContact CD2-CD1 4.45Å; L442-L488 HydrophobicContact CD2-CD2 3.92Å; L442-L488 HydrophobicContact CD2-CG 4.08Å; V484-L488 HydrophobicContact CG1-CD1 3.93Å; V484-L488 HydrophobicContact CG1-CG 4.31Å; V484-L488 WeakPolarHBondContact O-CG 3.24Å; V484-L488 PolarHBondContact O-N 2.85Å; V484-L488 VanDerWaalsContact O-N 3.09Å; S485-L488 CarbonylContact O-C 3.54Å; S485-L488 PolarHBondContact O-N 2.87Å; S485-L488 VanDerWaalsContact O-N 3.15Å; Y486-L488 VanDerWaalsContact C-N 3.25Å; Y486-L488 PolarHBondContact O-N 2.94Å; L488-N490 PolarHBondContact O-N 2.79Å; L488-N490 VanDerWaalsContact O-N 3.07Å; L488-F505 HydrophobicContact CD2-CD2 4.37Å; L488-F505 HydrophobicContact CD2-CE2 3.95Å; L488-L552 HydrophobicContact CD1-CD1 3.69Å; L488-L555 HydrophobicContact CB-CB 4.09Å; L488-L555 HydrophobicContact CB-CD1 4.12Å; L488-I556 HydrophobicContact CD1-CG1 3.91Å; L488-W559 HydrophobicContact CD2-CD2 3.95Å; L488-W559 HydrophobicContact CD2-CE3 4.4Å; L488-W559 HydrophobicContact CD2-CG 4.39Å; L488-W559 HydrophobicContact CD2-CH2 4.34Å; L488-W559 HydrophobicContact CD2-CZ2 3.86Å; L488-W559 PolarHBondContact O-NE1 2.96Å
489T89.7Confident91.2Very high54 Ų5449.7 Ų49.733%0.33124%0.243SC..SBendtrans-56.8-31.5-176.1-62.90000112.6D121 S485 Y486 V491D121-T489 HydrophobicContact CB-CG2 4.08Å; S485-T489 PolarHBondContact O-N 3.13Å; S485-T489 PolarHBondContact O-OG1 3.19Å; Y486-T489 PolarHBondContact O-N 2.95Å; Y486-T489 PolarHBondContact O-OG1 2.89Å; T489-V491 PolarHBondContact O-N 3.23Å
490N86.4Confident91.4Very high32 Ų3253 Ų5317%0.17126%0.261CS..SBendtrans-92.887.3178.2-75-80.2000112K429 L488 W559K429-N490 WeakPolarHBondContact CD-OD1 3.42Å; K429-N490 HydrophobicContact CG-CB 4.23Å; L488-N490 PolarHBondContact O-N 2.79Å; L488-N490 VanDerWaalsContact O-N 3.07Å; N490-W559 VanDerWaalsContact O-CZ2 3.3Å; N490-W559 WeakPolarHBondContact O-CZ2 3.1Å
491V89.4Confident91.5Very high51 Ų5153.1 Ų53.131%0.30926%0.261SS..PPolyproline II helixtrans-61.5124.4176-173.70000110.9T489 E558T489-V491 PolarHBondContact O-N 3.23Å; V491-E558 HydrophobicContact CG2-CB 4.09Å
492P90.2Very high91.5Very high3 Ų354.7 Ų54.72%0.01927%0.267CS..PPolyproline II helixtrans-68.7139.1-178.3-12.924.4000112M433 Q496 W497 L501 W559 S562M433-P492 HydrophobicContact CE-CG 4.11Å; P492-Q496 HydrophobicContact CB-CB 4.17Å; P492-W497 HydrophobicContact CB-CD2 4.38Å; P492-W497 HydrophobicContact CB-CZ2 4.31Å; P492-W497 HydrophobicContact CG-CH2 4.44Å; P492-W497 HydrophobicContact CG-CZ2 3.85Å; P492-L501 HydrophobicContact CG-CD2 4.25Å; P492-W559 VanDerWaalsContact CD-CD2 3.47Å; P492-W559 VanDerWaalsContact CD-CE2 3.44Å; P492-W559 HydrophobicContact CG-CD2 4.08Å; P492-W559 HydrophobicContact CG-CE3 3.7Å; P492-W559 HydrophobicContact CG-CH2 3.53Å; P492-W559 HydrophobicContact CG-CZ2 3.92Å; P492-W559 HydrophobicContact CG-CZ3 3.41Å; P492-W559 VanDerWaalsContact CG-CZ3 3.41Å; P492-S562 WeakPolarHBondContact O-CB 3.49Å; P492-S562 PolarHBondContact O-OG 3.36Å
493K87.3Confident91.7Very high148 Ų14853.9 Ų53.964%0.64327%0.271SS*.PPolyproline II helixtrans-75.4162169.2-63.3-177.7-179-178.60110.8D495 Q496 W497K493-D495 WeakPolarHBondContact CB-OD1 2.95Å; K493-D495 PolarHBondContact O-N 3.49Å; K493-D495 VanDerWaalsContact O-N 3.07Å; K493-Q496 HydrophobicContact CB-CG 4.31Å; K493-Q496 WeakPolarHBondContact O-CB 3.35Å; K493-Q496 PolarHBondContact O-N 3.46Å; K493-W497 VanDerWaalsContact O-CD1 3.28Å
494K83Confident91.8Very high186 Ų18656 Ų5681%0.80928%0.28SS*.G310 helixtrans-52-34.1-178.2-72.7-173.4177.9-1790113.8
495D86Confident91.8Very high133 Ų13356.1 Ų56.171%0.71128%0.281SS*.G310 helixtrans-78-17.1179.259.2-58000114.3K493K493-D495 WeakPolarHBondContact CB-OD1 2.95Å; K493-D495 PolarHBondContact O-N 3.49Å; K493-D495 VanDerWaalsContact O-N 3.07Å
496Q89Confident91.8Very high85 Ų8556.1 Ų56.140%0.39728%0.28SS..G310 helixtrans-90.3-10-177.5-58.9-176.5-63.200113.2P492 K493 D498P492-Q496 HydrophobicContact CB-CB 4.17Å; K493-Q496 HydrophobicContact CB-CG 4.31Å; K493-Q496 WeakPolarHBondContact O-CB 3.35Å; K493-Q496 PolarHBondContact O-N 3.46Å; Q496-D498 PolarHBondContact O-N 3.18Å
497W92.6Very high92Very high15 Ų1558.2 Ų58.26%0.05729%0.29CS..  trans-82.7110.7-177.8-78104.7000113P492 K493 L501 R502 F505 W559 S562 D563 V566P492-W497 HydrophobicContact CB-CD2 4.38Å; P492-W497 HydrophobicContact CB-CZ2 4.31Å; P492-W497 HydrophobicContact CG-CH2 4.44Å; P492-W497 HydrophobicContact CG-CZ2 3.85Å; K493-W497 VanDerWaalsContact O-CD1 3.28Å; W497-L501 HydrophobicContact CD2-CD2 4.36Å; W497-L501 HydrophobicContact CE3-CB 4.41Å; W497-L501 HydrophobicContact CE3-CD2 3.87Å; W497-L501 HydrophobicContact CE3-CG 3.94Å; W497-L501 HydrophobicContact CZ3-CD2 4.15Å; W497-L501 HydrophobicContact CZ3-CG 3.89Å; W497-R502 VanDerWaalsContact CB-NH2 3.3Å; W497-R502 HydrophobicContact CE3-CG 3.72Å; W497-R502 HydrophobicContact CZ3-CG 4.13Å; W497-R502 PolarHBondContact O-NH1 2.95Å; W497-R502 PolarHBondContact O-NH2 3.47Å; W497-F505 HydrophobicContact CH2-CB 4.48Å; W497-F505 HydrophobicContact CH2-CD1 4.1Å; W497-F505 HydrophobicContact CH2-CG 4.3Å; W497-F505 HydrophobicContact CZ3-CB 4.42Å; W497-W559 AromaticContact CH2-CE3 3.67Å; W497-W559 HydrophobicContact CH2-CE3 3.67Å; W497-W559 HydrophobicContact CH2-CZ3 4.1Å; W497-W559 AromaticContact CZ2-CE3 3.94Å; W497-W559 HydrophobicContact CZ2-CE3 3.94Å; W497-W559 HydrophobicContact CZ2-CZ3 4.49Å; W497-S562 WeakPolarHBondContact CZ2-OG 3.44Å; W497-S562 PolarHBondContact NE1-OG 2.97Å; W497-D563 HydrophobicContact CD2-CB 3.79Å; W497-D563 HydrophobicContact CE3-CB 4.48Å; W497-D563 HydrophobicContact CG-CB 3.88Å; W497-D563 HydrophobicContact CZ2-CB 4.14Å; W497-V566 HydrophobicContact CE3-CG2 4.24Å; W497-V566 HydrophobicContact CH2-CG1 4.49Å; W497-V566 HydrophobicContact CH2-CG2 3.95Å; W497-V566 HydrophobicContact CZ3-CG2 3.75Å
498D92.6Very high92.1Very high56 Ų5658.2 Ų58.230%0.29929%0.29SS..  trans-111.1168.7167.17016.8000112.9K437 Q496 L500 L501 R502K437-D498 WeakPolarHBondContact CE-OD1 3.28Å; K437-D498 WeakPolarHBondContact CE-OD2 3.42Å; K437-D498 IonicContact NZ-OD1 3.13Å; K437-D498 IonicContact NZ-OD2 3.86Å; K437-D498 PolarHBondContact NZ-OD2 3.11Å; Q496-D498 PolarHBondContact O-N 3.18Å; D498-L500 VanDerWaalsContact C-N 3.27Å; D498-L500 PolarHBondContact O-N 2.8Å; D498-L500 PolarHBondContact OD1-N 3.18Å; D498-L501 PolarHBondContact O-N 3.5Å; D498-L501 VanDerWaalsContact OD1-CB 3.28Å; D498-L501 WeakPolarHBondContact OD1-CB 3.36Å; D498-L501 PolarHBondContact OD1-N 2.99Å; D498-R502 WeakPolarHBondContact O-CG 3.37Å; D498-R502 PolarHBondContact O-N 3.22Å
499D92.8Very high92.2Very high108 Ų10858.5 Ų58.558%0.57829%0.291SS*.Hα-helixtrans-64.6-32.1-174-66.5-23.3000112.8R502 V503D499-R502 PolarHBondContact O-N 3.17Å; D499-R502 IonicContact OD1-NH1 2.83Å; D499-R502 PolarHBondContact OD1-NH1 3.25Å; D499-R502 VanDerWaalsContact OD1-NH1 3.15Å; D499-V503 WeakPolarHBondContact O-CB 3.48Å; D499-V503 VanDerWaalsContact O-CG2 3.27Å; D499-V503 WeakPolarHBondContact O-CG2 3.21Å; D499-V503 PolarHBondContact O-N 3.35Å
500L94.7Very high92.5Very high82 Ų8262.5 Ų62.543%0.42930%0.3SS..Hα-helixtrans-64.8-48.8175.8-177.760.7000110.7K437 D498 R502 V503 K504K437-L500 HydrophobicContact CG-CD2 3.85Å; K437-L500 HydrophobicContact CG-CG 4.02Å; D498-L500 VanDerWaalsContact C-N 3.27Å; D498-L500 PolarHBondContact O-N 2.8Å; D498-L500 PolarHBondContact OD1-N 3.18Å; L500-R502 VanDerWaalsContact C-N 3.35Å; L500-R502 PolarHBondContact O-N 2.97Å; L500-V503 PolarHBondContact O-N 2.63Å; L500-K504 HydrophobicContact CD1-CD 4.22Å; L500-K504 HydrophobicContact CD1-CG 4.29Å; L500-K504 HydrophobicContact CG-CG 4.49Å; L500-K504 VanDerWaalsContact O-CG 3.31Å; L500-K504 WeakPolarHBondContact O-CG 3.33Å; L500-K504 PolarHBondContact O-N 3.06Å
501L95.3Very high93Very high3 Ų361.1 Ų61.12%0.01629%0.294CS..Hα-helixtrans-60.9-43.7177.5-177.161.4000111.3M433 I436 K437 P492 W497 D498 V503 K504 F505 W559M433-L501 HydrophobicContact SD-CD1 3.88Å; M433-L501 HydrophobicContact SD-CD2 3.9Å; I436-L501 HydrophobicContact CG2-CD1 3.89Å; K437-L501 HydrophobicContact CB-CD1 4.33Å; P492-L501 HydrophobicContact CG-CD2 4.25Å; W497-L501 HydrophobicContact CD2-CD2 4.36Å; W497-L501 HydrophobicContact CE3-CB 4.41Å; W497-L501 HydrophobicContact CE3-CD2 3.87Å; W497-L501 HydrophobicContact CE3-CG 3.94Å; W497-L501 HydrophobicContact CZ3-CD2 4.15Å; W497-L501 HydrophobicContact CZ3-CG 3.89Å; D498-L501 PolarHBondContact O-N 3.5Å; D498-L501 VanDerWaalsContact OD1-CB 3.28Å; D498-L501 WeakPolarHBondContact OD1-CB 3.36Å; D498-L501 PolarHBondContact OD1-N 2.99Å; L501-V503 PolarHBondContact O-N 2.74Å; L501-K504 PolarHBondContact O-N 2.79Å; L501-F505 WeakPolarHBondContact O-CB 3.2Å; L501-F505 PolarHBondContact O-N 3.49Å; L501-W559 HydrophobicContact CD1-CZ3 4.3Å
502R94.9Very high93.3Very high32 Ų3258.8 Ų58.812%0.12128%0.279CS..Hα-helixtrans-56.1-49.9174.9-69.1-176.3-177.389.611.5111.6W497 D498 D499 L500 K504 F505 V506 D563 V566W497-R502 VanDerWaalsContact CB-NH2 3.3Å; W497-R502 HydrophobicContact CE3-CG 3.72Å; W497-R502 HydrophobicContact CZ3-CG 4.13Å; W497-R502 PolarHBondContact O-NH1 2.95Å; W497-R502 PolarHBondContact O-NH2 3.47Å; D498-R502 WeakPolarHBondContact O-CG 3.37Å; D498-R502 PolarHBondContact O-N 3.22Å; D499-R502 PolarHBondContact O-N 3.17Å; D499-R502 IonicContact OD1-NH1 2.83Å; D499-R502 PolarHBondContact OD1-NH1 3.25Å; D499-R502 VanDerWaalsContact OD1-NH1 3.15Å; L500-R502 VanDerWaalsContact C-N 3.35Å; L500-R502 PolarHBondContact O-N 2.97Å; R502-K504 PolarHBondContact O-N 2.95Å; R502-F505 PolarHBondContact O-N 3.34Å; R502-V506 WeakPolarHBondContact O-CB 3.34Å; R502-V506 VanDerWaalsContact O-CG2 3.27Å; R502-V506 WeakPolarHBondContact O-CG2 3.33Å; R502-V506 PolarHBondContact O-N 3.32Å; R502-D563 IonicContact CZ-OD1 2.57Å; R502-D563 IonicContact NE-OD1 2.76Å; R502-D563 PolarHBondContact NE-OD1 3.48Å; R502-D563 IonicContact NE-OD2 3.15Å; R502-D563 PolarHBondContact NE-OD2 2.95Å; R502-D563 IonicContact NH2-OD1 3.84Å; R502-D563 PolarHBondContact NH2-OD1 2.96Å; R502-V566 HydrophobicContact CB-CG2 4.16Å; R502-V566 HydrophobicContact CG-CG2 3.77Å
503V95.8Very high93.5Very high92 Ų9258.9 Ų58.956%0.55828%0.28SS*.Hα-helixtrans-62.3-44.2179.3170.10000111.3D499 L500 L501 K507D499-V503 WeakPolarHBondContact O-CB 3.48Å; D499-V503 VanDerWaalsContact O-CG2 3.27Å; D499-V503 WeakPolarHBondContact O-CG2 3.21Å; D499-V503 PolarHBondContact O-N 3.35Å; L500-V503 PolarHBondContact O-N 2.63Å; L501-V503 PolarHBondContact O-N 2.74Å; V503-K507 VanDerWaalsContact O-CB 3.28Å; V503-K507 WeakPolarHBondContact O-CB 3.32Å; V503-K507 PolarHBondContact O-N 3.06Å
504K96Very high93.7Very high43 Ų4355.3 Ų55.319%0.18727%0.267CS..Hα-helixtrans-67.8-41-179.4-64.6-30.1-166.1150.80112.5I436 K437 D440 L500 L501 R502 K507 G508I436-K504 WeakPolarHBondContact O-CB 3.49Å; K437-K504 WeakPolarHBondContact O-CG 3.48Å; D440-K504 WeakPolarHBondContact OD1-CD 3.33Å; D440-K504 WeakPolarHBondContact OD1-CE 3.1Å; D440-K504 IonicContact OD1-NZ 3.06Å; D440-K504 PolarHBondContact OD1-NZ 2.85Å; D440-K504 IonicContact OD2-NZ 3.61Å; D440-K504 PolarHBondContact OD2-NZ 3.3Å; L500-K504 HydrophobicContact CD1-CD 4.22Å; L500-K504 HydrophobicContact CD1-CG 4.29Å; L500-K504 HydrophobicContact CG-CG 4.49Å; L500-K504 VanDerWaalsContact O-CG 3.31Å; L500-K504 WeakPolarHBondContact O-CG 3.33Å; L500-K504 PolarHBondContact O-N 3.06Å; L501-K504 PolarHBondContact O-N 2.79Å; R502-K504 PolarHBondContact O-N 2.95Å; K504-K507 WeakPolarHBondContact O-CB 3.48Å; K504-K507 PolarHBondContact O-N 3.14Å; K504-G508 PolarHBondContact O-N 3.1Å
505F96.4Very high94.2Very high4 Ų446.5 Ų46.52%0.01823%0.228CC..Hα-helixtrans-64.3-46.8176.9-177.8-110.4000111.6L442 L488 W497 L501 R502 K507 G508 Y509 I556 W559 V566 L570L442-F505 HydrophobicContact CD1-CD2 3.69Å; L442-F505 HydrophobicContact CD1-CE2 4.26Å; L488-F505 HydrophobicContact CD2-CD2 4.37Å; L488-F505 HydrophobicContact CD2-CE2 3.95Å; W497-F505 HydrophobicContact CH2-CB 4.48Å; W497-F505 HydrophobicContact CH2-CD1 4.1Å; W497-F505 HydrophobicContact CH2-CG 4.3Å; W497-F505 HydrophobicContact CZ3-CB 4.42Å; L501-F505 WeakPolarHBondContact O-CB 3.2Å; L501-F505 PolarHBondContact O-N 3.49Å; R502-F505 PolarHBondContact O-N 3.34Å; F505-K507 VanDerWaalsContact C-N 3.3Å; F505-K507 PolarHBondContact O-N 2.93Å; F505-G508 CarbonylContact O-C 3.58Å; F505-G508 WeakPolarHBondContact O-CA 3.42Å; F505-G508 PolarHBondContact O-N 3.17Å; F505-Y509 PolarHBondContact O-N 2.81Å; F505-I556 HydrophobicContact CZ-CG2 4.45Å; F505-W559 HydrophobicContact CD2-CD2 4.29Å; F505-W559 AromaticContact CD2-CE3 3.58Å; F505-W559 HydrophobicContact CD2-CE3 3.58Å; F505-W559 HydrophobicContact CD2-CZ3 4.06Å; F505-W559 HydrophobicContact CE1-CB 3.99Å; F505-W559 HydrophobicContact CE2-CB 3.85Å; F505-W559 AromaticContact CE2-CD2 3.94Å; F505-W559 HydrophobicContact CE2-CD2 3.94Å; F505-W559 AromaticContact CE2-CE3 3.69Å; F505-W559 HydrophobicContact CE2-CE3 3.69Å; F505-W559 HydrophobicContact CE2-CG 4.04Å; F505-W559 HydrophobicContact CG-CE3 4.07Å; F505-W559 HydrophobicContact CZ-CB 3.39Å; F505-W559 HydrophobicContact CZ-CD2 4.38Å; F505-W559 HydrophobicContact CZ-CE3 4.24Å; F505-W559 HydrophobicContact CZ-CG 4.1Å; F505-V566 HydrophobicContact CD1-CG1 3.58Å; F505-V566 HydrophobicContact CE1-CG1 3.65Å; F505-L570 HydrophobicContact CD1-CD1 4.43Å; F505-L570 HydrophobicContact CE1-CD1 3.7Å; F505-L570 HydrophobicContact CZ-CD1 4.44Å
506V95.5Very high94.6Very high13 Ų1340.2 Ų40.28%0.07919%0.194CC..Hα-helixtrans-61.5-38.8175.4172.90000111.5R502 G508 Y509 R510 L569 L570R502-V506 WeakPolarHBondContact O-CB 3.34Å; R502-V506 VanDerWaalsContact O-CG2 3.27Å; R502-V506 WeakPolarHBondContact O-CG2 3.33Å; R502-V506 PolarHBondContact O-N 3.32Å; V506-G508 VanDerWaalsContact C-N 3.32Å; V506-Y509 PolarHBondContact O-N 3.42Å; V506-R510 WeakPolarHBondContact O-CG 3.45Å; V506-R510 PolarHBondContact O-N 3.35Å; V506-L569 HydrophobicContact CG2-CB 4.33Å; V506-L569 HydrophobicContact CG2-CD1 4.19Å; V506-L570 HydrophobicContact CB-CD2 4.48Å; V506-L570 HydrophobicContact CG1-CD2 4.42Å; V506-L570 HydrophobicContact CG2-CD2 4.04Å
507K96.3Very high94.7Very high80 Ų8039.9 Ų39.935%0.34819%0.192SC..Hα-helixtrans-63.4-38.1172.8-168.5-170174.1177.50111.7D440 S443 V503 K504 F505 R510 A511D440-K507 IonicContact OD2-NZ 3.84Å; D440-K507 PolarHBondContact OD2-NZ 3.38Å; S443-K507 WeakPolarHBondContact OG-CG 3.36Å; S443-K507 PolarHBondContact OG-O 2.96Å; V503-K507 VanDerWaalsContact O-CB 3.28Å; V503-K507 WeakPolarHBondContact O-CB 3.32Å; V503-K507 PolarHBondContact O-N 3.06Å; K504-K507 WeakPolarHBondContact O-CB 3.48Å; K504-K507 PolarHBondContact O-N 3.14Å; F505-K507 VanDerWaalsContact C-N 3.3Å; F505-K507 PolarHBondContact O-N 2.93Å; K507-R510 PolarHBondContact O-N 3Å; K507-A511 PolarHBondContact O-N 2.85Å; K507-A511 VanDerWaalsContact O-N 3.16Å
508G96.6Very high94.6Very high1 Ų139.5 Ų39.51%0.0119%0.191CC..Hα-helixtrans-59.7-51.9172.300000112.1S443 F446 K504 F505 V506 R510 A511 L512S443-G508 WeakPolarHBondContact OG-CA 3.28Å; S443-G508 PolarHBondContact OG-N 2.75Å; F446-G508 WeakPolarHBondContact CD2-O 3.22Å; K504-G508 PolarHBondContact O-N 3.1Å; F505-G508 CarbonylContact O-C 3.58Å; F505-G508 WeakPolarHBondContact O-CA 3.42Å; F505-G508 PolarHBondContact O-N 3.17Å; V506-G508 VanDerWaalsContact C-N 3.32Å; G508-R510 VanDerWaalsContact C-N 3.34Å; G508-R510 PolarHBondContact O-N 3.27Å; G508-A511 WeakPolarHBondContact O-CB 3.29Å; G508-A511 PolarHBondContact O-N 3.1Å; G508-L512 PolarHBondContact O-N 2.74Å
509Y96.1Very high94.5Very high7 Ų737.1 Ų37.13%0.02718%0.178CC..Hα-helixtrans-57.6-44.4176.1176.9-99.8000112.2F505 V506 A511 L512 T513 I556 L570 Q573 M620 F624F505-Y509 PolarHBondContact O-N 2.81Å; V506-Y509 PolarHBondContact O-N 3.42Å; Y509-A511 VanDerWaalsContact C-N 3.26Å; Y509-A511 PolarHBondContact O-N 3.13Å; Y509-L512 HydrophobicContact CD2-CD2 4.4Å; Y509-L512 CarbonylContact O-C 3.6Å; Y509-L512 WeakPolarHBondContact O-CA 3.26Å; Y509-L512 WeakPolarHBondContact O-CB 3.41Å; Y509-L512 PolarHBondContact O-N 2.7Å; Y509-T513 HydrophobicContact CD1-CG2 4.02Å; Y509-T513 HydrophobicContact CE1-CG2 3.52Å; Y509-T513 HydrophobicContact CE2-CG2 4.33Å; Y509-T513 WeakPolarHBondContact O-CG2 3.22Å; Y509-T513 PolarHBondContact O-N 3.42Å; Y509-I556 HydrophobicContact CD2-CG2 4.13Å; Y509-L570 HydrophobicContact CD1-CD2 3.52Å; Y509-L570 HydrophobicContact CE1-CD2 4.25Å; Y509-L570 HydrophobicContact CG-CD1 4.36Å; Y509-L570 HydrophobicContact CG-CD2 3.67Å; Y509-Q573 HydrophobicContact CD1-CG 4.07Å; Y509-Q573 HydrophobicContact CE1-CB 4.21Å; Y509-Q573 HydrophobicContact CE1-CG 3.78Å; Y509-M620 HydrophobicContact CE2-CE 4.09Å; Y509-F624 HydrophobicContact CD2-CZ 4.26Å; Y509-F624 HydrophobicContact CE1-CE2 4.44Å; Y509-F624 AromaticContact CE2-CE2 3.65Å; Y509-F624 HydrophobicContact CE2-CE2 3.65Å; Y509-F624 AromaticContact CE2-CZ 3.76Å; Y509-F624 HydrophobicContact CE2-CZ 3.76Å; Y509-F624 AromaticContact CZ-CE2 3.61Å; Y509-F624 WeakPolarHBondContact OH-CE2 3.19Å
510R95.9Very high94.6Very high138 Ų13832.4 Ų32.452%0.52115%0.153SC..Hα-helixtrans-58.1-37.8175-75.9177.7175164.32112.7V506 K507 G508 T513 Q573V506-R510 WeakPolarHBondContact O-CG 3.45Å; V506-R510 PolarHBondContact O-N 3.35Å; K507-R510 PolarHBondContact O-N 3Å; G508-R510 VanDerWaalsContact C-N 3.34Å; G508-R510 PolarHBondContact O-N 3.27Å; R510-T513 PolarHBondContact O-N 2.96Å; R510-T513 PolarHBondContact O-OG1 3.34Å; R510-Q573 HydrophobicContact CG-CG 4.29Å
511A96.1Very high94.5Very high4 Ų429.5 Ų29.53%0.03314%0.138CC..Hα-helixtrans-67.2-40174.100000111.7F446 K447 K507 G508 Y509 T513 M514F446-A511 HydrophobicContact CB-CB 3.69Å; F446-A511 HydrophobicContact CD2-CB 4.45Å; K447-A511 HydrophobicContact CG-CB 4.45Å; K507-A511 PolarHBondContact O-N 2.85Å; K507-A511 VanDerWaalsContact O-N 3.16Å; G508-A511 WeakPolarHBondContact O-CB 3.29Å; G508-A511 PolarHBondContact O-N 3.1Å; Y509-A511 VanDerWaalsContact C-N 3.26Å; Y509-A511 PolarHBondContact O-N 3.13Å; A511-T513 VanDerWaalsContact C-N 3.31Å; A511-T513 PolarHBondContact O-N 3.23Å; A511-M514 VanDerWaalsContact O-CB 3.31Å; A511-M514 WeakPolarHBondContact O-CB 3.48Å; A511-M514 PolarHBondContact O-N 3.3Å
512L95.7Very high94.2Very high1 Ų129.4 Ų29.41%0.00514%0.137CC..Hα-helixtrans-59-40.3172.5172.165.1000112.2F446 G508 Y509 M514 F515 L516 L552 L553 I556F446-L512 HydrophobicContact CD1-CB 4.3Å; F446-L512 HydrophobicContact CD1-CD1 4.1Å; F446-L512 HydrophobicContact CD2-CB 3.92Å; F446-L512 HydrophobicContact CE1-CB 4.19Å; F446-L512 HydrophobicContact CE1-CD1 3.62Å; F446-L512 HydrophobicContact CE1-CG 4.4Å; F446-L512 HydrophobicContact CE2-CB 3.79Å; F446-L512 HydrophobicContact CG-CB 4.19Å; F446-L512 HydrophobicContact CZ-CB 3.92Å; F446-L512 HydrophobicContact CZ-CD1 3.91Å; F446-L512 HydrophobicContact CZ-CD2 4.33Å; F446-L512 HydrophobicContact CZ-CG 4.27Å; G508-L512 PolarHBondContact O-N 2.74Å; Y509-L512 HydrophobicContact CD2-CD2 4.4Å; Y509-L512 CarbonylContact O-C 3.6Å; Y509-L512 WeakPolarHBondContact O-CA 3.26Å; Y509-L512 WeakPolarHBondContact O-CB 3.41Å; Y509-L512 PolarHBondContact O-N 2.7Å; L512-M514 PolarHBondContact O-N 2.69Å; L512-M514 VanDerWaalsContact O-N 3.08Å; L512-F515 HydrophobicContact CD1-CD1 3.91Å; L512-F515 WeakPolarHBondContact O-CA 3.36Å; L512-F515 WeakPolarHBondContact O-CB 3.36Å; L512-F515 PolarHBondContact O-N 2.93Å; L512-L516 HydrophobicContact CD1-CD2 4.15Å; L512-L516 HydrophobicContact CD1-CG 4.11Å; L512-L516 HydrophobicContact CD2-CD1 4.32Å; L512-L516 HydrophobicContact CG-CD1 4.06Å; L512-L516 HydrophobicContact CG-CD2 4.47Å; L512-L516 HydrophobicContact CG-CG 3.98Å; L512-L516 PolarHBondContact O-N 3.48Å; L512-L552 HydrophobicContact CD1-CD2 4.41Å; L512-L553 HydrophobicContact CD2-CD2 4.2Å; L512-I556 HydrophobicContact CD2-CD1 3.17Å
513T94.6Very high93.9Very high6 Ų629.8 Ų29.84%0.03714%0.141CC..Hα-helixtrans-59.6-24179.266.60000113.2Y509 R510 A511 K517Y509-T513 HydrophobicContact CD1-CG2 4.02Å; Y509-T513 HydrophobicContact CE1-CG2 3.52Å; Y509-T513 HydrophobicContact CE2-CG2 4.33Å; Y509-T513 WeakPolarHBondContact O-CG2 3.22Å; Y509-T513 PolarHBondContact O-N 3.42Å; R510-T513 PolarHBondContact O-N 2.96Å; R510-T513 PolarHBondContact O-OG1 3.34Å; A511-T513 VanDerWaalsContact C-N 3.31Å; A511-T513 PolarHBondContact O-N 3.23Å; T513-K517 WeakPolarHBondContact O-CB 3.22Å; T513-K517 WeakPolarHBondContact O-CD 3.14Å; T513-K517 WeakPolarHBondContact O-CG 3.37Å; T513-K517 PolarHBondContact O-N 2.97Å
514M92.7Very high93.6Very high73 Ų7329.7 Ų29.736%0.3613%0.133SC..Hα-helixtrans-63.7-48.2172.7-57.7172.662.900110H450 A511 L512 K517 C518H450-M514 VanDerWaalsContact CD2-CB 3.44Å; H450-M514 WeakPolarHBondContact CD2-CB 3.48Å; H450-M514 WeakPolarHBondContact ND1-CE 3.16Å; A511-M514 VanDerWaalsContact O-CB 3.31Å; A511-M514 WeakPolarHBondContact O-CB 3.48Å; A511-M514 PolarHBondContact O-N 3.3Å; L512-M514 PolarHBondContact O-N 2.69Å; L512-M514 VanDerWaalsContact O-N 3.08Å; M514-K517 WeakPolarHBondContact O-CB 3.15Å; M514-K517 PolarHBondContact O-N 3.2Å; M514-C518 PolarHBondContact O-N 3.11Å; M514-C518 PolarHBondContact O-SG 3.48Å
515F92Very high93.3Very high0 Ų028.6 Ų28.60%013%0.13CC..Hα-helixtrans-65.5-40.2174.6170.2-107.6000112.9L449 L463 I477 L481 L512 K517 C518 M519 L545L449-F515 HydrophobicContact CD2-CD1 4.42Å; L449-F515 HydrophobicContact CD2-CD2 4.04Å; L449-F515 HydrophobicContact CD2-CE2 4.36Å; L449-F515 HydrophobicContact CD2-CG 4.07Å; L449-F515 HydrophobicContact CG-CD2 4.31Å; L463-F515 HydrophobicContact CD1-CE2 4.23Å; I477-F515 HydrophobicContact CG2-CE2 3.73Å; I477-F515 HydrophobicContact CG2-CZ 3.63Å; L481-F515 HydrophobicContact CD1-CE1 4.18Å; L481-F515 HydrophobicContact CD1-CZ 4.3Å; L481-F515 HydrophobicContact CD2-CD1 4.39Å; L481-F515 HydrophobicContact CD2-CE1 3.99Å; L512-F515 HydrophobicContact CD1-CD1 3.91Å; L512-F515 WeakPolarHBondContact O-CA 3.36Å; L512-F515 WeakPolarHBondContact O-CB 3.36Å; L512-F515 PolarHBondContact O-N 2.93Å; F515-K517 VanDerWaalsContact C-N 3.26Å; F515-K517 PolarHBondContact O-N 3.14Å; F515-C518 WeakPolarHBondContact O-CA 2.99Å; F515-C518 WeakPolarHBondContact O-CB 3.44Å; F515-C518 PolarHBondContact O-N 2.72Å; F515-M519 HydrophobicContact CD1-SD 4.23Å; F515-M519 HydrophobicContact CE1-CG 4.28Å; F515-M519 HydrophobicContact CE1-SD 3.38Å; F515-M519 WeakPolarHBondContact CE1-SD 3.49Å; F515-M519 HydrophobicContact CE2-CG 4.26Å; F515-M519 HydrophobicContact CE2-SD 4.26Å; F515-M519 HydrophobicContact CZ-CG 3.96Å; F515-M519 HydrophobicContact CZ-SD 3.39Å; F515-M519 WeakPolarHBondContact CZ-SD 3.48Å; F515-M519 PolarHBondContact O-N 3.36Å; F515-L545 HydrophobicContact CZ-CD1 4.1Å
516L94Very high93.1Very high1 Ų130.1 Ų30.11%0.00514%0.14CC..Hα-helixtrans-64.2-31.9176.8-61.1-178.4000112.5L512 C518 M519 Q520 L553 P616 L617 M620L512-L516 HydrophobicContact CD1-CD2 4.15Å; L512-L516 HydrophobicContact CD1-CG 4.11Å; L512-L516 HydrophobicContact CD2-CD1 4.32Å; L512-L516 HydrophobicContact CG-CD1 4.06Å; L512-L516 HydrophobicContact CG-CD2 4.47Å; L512-L516 HydrophobicContact CG-CG 3.98Å; L512-L516 PolarHBondContact O-N 3.48Å; L516-C518 VanDerWaalsContact C-N 3.27Å; L516-C518 PolarHBondContact O-N 2.88Å; L516-M519 HydrophobicContact CD2-SD 4.48Å; L516-M519 PolarHBondContact O-N 3.48Å; L516-M519 VanDerWaalsContact O-N 3.13Å; L516-Q520 PolarHBondContact O-N 3.46Å; L516-L553 HydrophobicContact CD2-CD2 4.44Å; L516-P616 HydrophobicContact CB-CB 4.33Å; L516-P616 HydrophobicContact CB-CG 4.32Å; L516-P616 HydrophobicContact CD2-CB 4.07Å; L516-P616 WeakPolarHBondContact O-CG 3.49Å; L516-L617 HydrophobicContact CB-CD2 3.97Å; L516-M620 HydrophobicContact CD1-CG 3.74Å
517K92.2Very high93Very high79 Ų7931.2 Ų31.234%0.34314%0.142SC..Hα-helixtrans-65.4-31.7172.8-76165.9-175.8170.20112.1T513 M514 F515 M519 Q520 D577 L617T513-K517 WeakPolarHBondContact O-CB 3.22Å; T513-K517 WeakPolarHBondContact O-CD 3.14Å; T513-K517 WeakPolarHBondContact O-CG 3.37Å; T513-K517 PolarHBondContact O-N 2.97Å; M514-K517 WeakPolarHBondContact O-CB 3.15Å; M514-K517 PolarHBondContact O-N 3.2Å; F515-K517 VanDerWaalsContact C-N 3.26Å; F515-K517 PolarHBondContact O-N 3.14Å; K517-M519 VanDerWaalsContact C-N 3.29Å; K517-Q520 PolarHBondContact O-N 3.35Å; K517-D577 WeakPolarHBondContact CE-OD1 3.34Å; K517-D577 IonicContact NZ-OD1 2.6Å; K517-D577 PolarHBondContact NZ-OD1 2.95Å; K517-L617 HydrophobicContact CG-CD1 4.07Å; K517-L617 HydrophobicContact CG-CD2 4.21Å
518C90.3Very high92.7Very high6 Ų631.4 Ų31.44%0.04115%0.145CC..Hα-helixtrans-69.8-26.9172.2-51.70000112.8H457 P462 L463 M514 F515 L516H457-C518 PolarHBondContact CE1-SG 3.23Å; H457-C518 WeakPolarHBondContact NE2-CB 2.78Å; H457-C518 PolarHBondContact NE2-SG 3.07Å; P462-C518 CarbonylContact C-O 3.56Å; P462-C518 VanDerWaalsContact CA-O 3.27Å; P462-C518 WeakPolarHBondContact CA-O 3.33Å; L463-C518 HydrophobicContact CD1-CB 4.15Å; L463-C518 HydrophobicContact CG-CB 4Å; L463-C518 PolarHBondContact N-O 2.96Å; M514-C518 PolarHBondContact O-N 3.11Å; M514-C518 PolarHBondContact O-SG 3.48Å; F515-C518 WeakPolarHBondContact O-CA 2.99Å; F515-C518 WeakPolarHBondContact O-CB 3.44Å; F515-C518 PolarHBondContact O-N 2.72Å; L516-C518 VanDerWaalsContact C-N 3.27Å; L516-C518 PolarHBondContact O-N 2.88Å
519M91.3Very high92.2Very high6 Ų634.9 Ų34.93%0.0316%0.162CC..Hα-helixtrans-87.7-15.9175.8-71-176.873.200113.6L463 F515 L516 K517 D521 M522 L545 A546 F614 P616L463-M519 HydrophobicContact CD1-CG 4.35Å; F515-M519 HydrophobicContact CD1-SD 4.23Å; F515-M519 HydrophobicContact CE1-CG 4.28Å; F515-M519 HydrophobicContact CE1-SD 3.38Å; F515-M519 WeakPolarHBondContact CE1-SD 3.49Å; F515-M519 HydrophobicContact CE2-CG 4.26Å; F515-M519 HydrophobicContact CE2-SD 4.26Å; F515-M519 HydrophobicContact CZ-CG 3.96Å; F515-M519 HydrophobicContact CZ-SD 3.39Å; F515-M519 WeakPolarHBondContact CZ-SD 3.48Å; F515-M519 PolarHBondContact O-N 3.36Å; L516-M519 HydrophobicContact CD2-SD 4.48Å; L516-M519 PolarHBondContact O-N 3.48Å; L516-M519 VanDerWaalsContact O-N 3.13Å; K517-M519 VanDerWaalsContact C-N 3.29Å; M519-D521 PolarHBondContact O-N 2.95Å; M519-M522 HydrophobicContact CB-CE 3.77Å; M519-M522 HydrophobicContact CB-SD 4.23Å; M519-M522 HydrophobicContact CE-CE 3.88Å; M519-M522 HydrophobicContact CG-CE 3.86Å; M519-M522 HydrophobicContact CG-SD 4.17Å; M519-M522 WeakPolarHBondContact O-CG 3.43Å; M519-M522 PolarHBondContact O-N 2.9Å; M519-L545 HydrophobicContact CE-CD2 4.24Å; M519-L545 HydrophobicContact CE-CG 4.04Å; M519-L545 HydrophobicContact CG-CD2 4.24Å; M519-L545 HydrophobicContact SD-CD2 4.4Å; M519-L545 HydrophobicContact SD-CG 4.45Å; M519-A546 HydrophobicContact CE-CB 4.41Å; M519-F614 WeakPolarHBondContact O-CB 3.35Å; M519-P616 HydrophobicContact CB-CG 3.88Å
520Q94Very high91.5Very high9 Ų941.5 Ų41.54%0.04220%0.198CC..THydrogen-bonded Turntrans-66.1126.7-179.3-175.166.441.400109.9P462 L516 K517 M522 Y581 L617 Q618P462-Q520 WeakPolarHBondContact CG-O 3.17Å; L516-Q520 PolarHBondContact O-N 3.46Å; K517-Q520 PolarHBondContact O-N 3.35Å; Q520-M522 VanDerWaalsContact C-N 3.31Å; Q520-M522 PolarHBondContact O-N 3.48Å; Q520-Y581 HydrophobicContact CG-CD2 3.83Å; Q520-Y581 HydrophobicContact CG-CE2 3.54Å; Q520-L617 HydrophobicContact CB-CD1 4.24Å; Q520-L617 HydrophobicContact CB-CG 4.49Å; Q520-L617 HydrophobicContact CG-CD1 4.06Å; Q520-Q618 VanDerWaalsContact NE2-OE1 3.16Å
521D92.4Very high90.8Very high22 Ų2240 Ų4012%0.11820%0.204CC..THydrogen-bonded Turntrans60.431.4179.1-52.7-15.9000115M519 K524 Y581 S612 F614M519-D521 PolarHBondContact O-N 2.95Å; D521-K524 HydrophobicContact CB-CD 4.47Å; D521-K524 VanDerWaalsContact CB-CE 3.45Å; D521-K524 HydrophobicContact CB-CG 4.36Å; D521-K524 WeakPolarHBondContact O-CG 3.07Å; D521-Y581 PolarHBondContact OD1-OH 3.32Å; D521-Y581 VanDerWaalsContact OD2-CE2 3.3Å; D521-Y581 WeakPolarHBondContact OD2-CE2 3.17Å; D521-Y581 PolarHBondContact OD2-OH 3.03Å; D521-S612 WeakPolarHBondContact CA-OG 3.3Å; D521-F614 PolarHBondContact N-O 2.94Å
522M90.2Very high90Very high1 Ų144.7 Ų44.71%0.00523%0.225CC..THydrogen-bonded Turntrans-62.5155.9167.6-69.9-176.7-53.700111.5P462 L463 F465 M519 Q520 K524 L545 S612 F614P462-M522 HydrophobicContact CB-CG 4.21Å; L463-M522 HydrophobicContact CB-CG 4.32Å; L463-M522 HydrophobicContact CB-SD 3.75Å; L463-M522 HydrophobicContact CD1-SD 4.2Å; F465-M522 HydrophobicContact CE2-SD 4.24Å; F465-M522 HydrophobicContact CZ-SD 4.49Å; M519-M522 HydrophobicContact CB-CE 3.77Å; M519-M522 HydrophobicContact CB-SD 4.23Å; M519-M522 HydrophobicContact CE-CE 3.88Å; M519-M522 HydrophobicContact CG-CE 3.86Å; M519-M522 HydrophobicContact CG-SD 4.17Å; M519-M522 WeakPolarHBondContact O-CG 3.43Å; M519-M522 PolarHBondContact O-N 2.9Å; Q520-M522 VanDerWaalsContact C-N 3.31Å; Q520-M522 PolarHBondContact O-N 3.48Å; M522-K524 VanDerWaalsContact C-N 3.29Å; M522-K524 PolarHBondContact O-N 3.18Å; M522-L545 HydrophobicContact CE-CD2 4.34Å; M522-L545 HydrophobicContact SD-CD2 4.3Å; M522-S612 WeakPolarHBondContact O-CB 3.1Å; M522-S612 PolarHBondContact O-OG 3.06Å; M522-F614 HydrophobicContact CB-CB 4.2Å; M522-F614 HydrophobicContact CB-CD2 3.98Å; M522-F614 HydrophobicContact CB-CG 4.15Å; M522-F614 HydrophobicContact CE-CB 4.08Å; M522-F614 HydrophobicContact CE-CD1 3.64Å; M522-F614 HydrophobicContact CE-CD2 4.43Å; M522-F614 HydrophobicContact CE-CE1 4.18Å; M522-F614 HydrophobicContact CE-CG 3.79Å; M522-F614 WeakPolarHBondContact O-CD2 3.44Å
523E86.9Confident89.2Confident40 Ų4046 Ų4619%0.18723%0.231CC..THydrogen-bonded Turntrans49.744.5171-60.6-59.5146.700114.2S525 A542 F614E523-S525 PolarHBondContact O-N 3.04Å; E523-S525 PolarHBondContact O-OG 3.32Å; E523-A542 HydrophobicContact CG-CB 3.7Å; E523-F614 HydrophobicContact CB-CD2 4.39Å; E523-F614 HydrophobicContact CB-CE2 4.03Å; E523-F614 HydrophobicContact CG-CE2 4.3Å
524K89.8Confident88.2Confident90 Ų9053.9 Ų53.939%0.39127%0.268SS..  trans-59.2137.6175.5-67.1-169.4-174.4172.70111.2D521 M522 E610 V611D521-K524 HydrophobicContact CB-CD 4.47Å; D521-K524 VanDerWaalsContact CB-CE 3.45Å; D521-K524 HydrophobicContact CB-CG 4.36Å; D521-K524 WeakPolarHBondContact O-CG 3.07Å; M522-K524 VanDerWaalsContact C-N 3.29Å; M522-K524 PolarHBondContact O-N 3.18Å; K524-E610 HydrophobicContact CB-CB 4.18Å; K524-E610 HydrophobicContact CB-CG 4.45Å; K524-E610 HydrophobicContact CD-CB 4.01Å; K524-E610 HydrophobicContact CD-CG 4.37Å; K524-E610 WeakPolarHBondContact CD-OE2 3.49Å; K524-E610 IonicContact NZ-OE2 3.96Å; K524-E610 PolarHBondContact NZ-OE2 3.18Å; K524-E610 VanDerWaalsContact NZ-OE2 3.14Å; K524-V611 WeakPolarHBondContact CA-O 3.21Å
525S90Very high87.3Confident19 Ų1960.1 Ų60.113%0.13329%0.287CS..BIsolated β-bridgetrans-132.5147.8-178.7-62.60000111.1E523 E610 V611E523-S525 PolarHBondContact O-N 3.04Å; E523-S525 PolarHBondContact O-OG 3.32Å; S525-E610 WeakPolarHBondContact O-CA 3.36Å; S525-V611 PolarHBondContact N-O 3.35Å; S525-V611 WeakPolarHBondContact O-CG1 3.43Å; S525-V611 PolarHBondContact O-N 3.41Å
526V93.1Very high86.2Confident36 Ų3664.2 Ų64.222%0.21831%0.307CS..  trans-122.2146.3171.3-1790000108.1H528 S606 K607 E610 N673V526-H528 PolarHBondContact O-N 3.17Å; V526-S606 WeakPolarHBondContact CG1-O 3.21Å; V526-K607 WeakPolarHBondContact CG1-O 3.44Å; V526-E610 HydrophobicContact CG2-CB 4.31Å; V526-E610 HydrophobicContact CG2-CG 3.6Å; V526-N673 PolarHBondContact O-ND2 2.96Å
527R93.3Very high85Confident36 Ų3666.5 Ų66.514%0.13632%0.322CS..  trans-73.2117-179.7-167.1-178.975.2172.19.1110.9S606 E664 W670R527-S606 WeakPolarHBondContact CB-O 3.14Å; R527-S606 PolarHBondContact N-O 2.84Å; R527-S606 PolarHBondContact NE-OG 3.23Å; R527-E664 IonicContact CZ-OE1 2.78Å; R527-E664 IonicContact NH1-OE1 3.26Å; R527-E664 PolarHBondContact NH1-OE1 3.45Å; R527-W670 HydrophobicContact CB-CD2 4.1Å; R527-W670 HydrophobicContact CB-CE3 4.26Å; R527-W670 HydrophobicContact CB-CH2 3.88Å; R527-W670 HydrophobicContact CB-CZ2 3.72Å; R527-W670 HydrophobicContact CB-CZ3 4.15Å; R527-W670 HydrophobicContact CG-CD2 3.87Å; R527-W670 HydrophobicContact CG-CE3 4.35Å; R527-W670 HydrophobicContact CG-CG 4.11Å; R527-W670 HydrophobicContact CG-CZ2 4.26Å
528H89.1Confident84.1Confident85 Ų8566.2 Ų66.239%0.39432%0.323SS..  trans-82.7133.1177.3-71-79.6000111.8V526 I533 R672 N673V526-H528 PolarHBondContact O-N 3.17Å; H528-I533 WeakPolarHBondContact CD2-CG2 3.47Å; H528-R672 HydrophobicContact CB-CB 4.23Å; H528-R672 WeakPolarHBondContact O-CB 3.5Å; H528-N673 PolarHBondContact N-OD1 2.92Å
529I85.6Confident83.5Confident73 Ų7366.1 Ų66.137%0.37432%0.322SS..SBendtrans-111.6-39.6-176.6-43.8169.6000112.1K607 R672I529-K607 HydrophobicContact CD1-CB 3.92Å; I529-K607 HydrophobicContact CD1-CD 3.22Å; I529-K607 HydrophobicContact CD1-CG 3.41Å; I529-K607 VanDerWaalsContact CD1-CG 3.41Å; I529-K607 HydrophobicContact CG1-CD 4.3Å; I529-K607 HydrophobicContact CG1-CG 4.06Å; I529-R672 WeakPolarHBondContact O-CD 3.38Å; I529-R672 PolarHBondContact O-NE 2.87Å; I529-R672 PolarHBondContact O-NH1 3.17Å
530D81.7Confident83.1Confident147 Ų14770.8 Ų70.879%0.78634%0.344SS*.SBendtrans-89.4-53.3-169.9-58.6-43000112.1
531V81.2Confident82.5Confident105 Ų10571.1 Ų71.164%0.63635%0.346SS*.SBendtrans-119.5140.9-172.8-171.10000110.2
532H80.3Confident82.2Confident103 Ų10370 Ų7048%0.47734%0.341SS..  trans-69.2137.6170.5-176.463.1000109.7E534 R672H532-E534 PolarHBondContact O-N 3.39Å; H532-R672 WeakPolarHBondContact CA-O 3.43Å; H532-R672 PolarHBondContact ND1-O 2.73Å
533I79.2Confident82.2Confident29 Ų2970 Ų7015%0.14934%0.341CS..  trans-62.5131.6175.264.7173.8000109.7H528 E536 R672 N673H528-I533 WeakPolarHBondContact CD2-CG2 3.47Å; I533-E536 HydrophobicContact CD1-CG 4.39Å; I533-R672 PolarHBondContact N-O 3.32Å; I533-R672 VanDerWaalsContact N-O 3.09Å; I533-N673 VanDerWaalsContact CD1-C 3.49Å; I533-N673 WeakPolarHBondContact CD1-O 3.37Å
534E73.6Confident82.2Confident171 Ų17171.4 Ų71.480%0.79935%0.349SS*.SBendtrans-75.2-28.9-179.4-65.7-176169.900112.2H532H532-E534 PolarHBondContact O-N 3.39Å
535W72.3Confident82.1Confident204 Ų20467.1 Ų67.177%0.77333%0.331SS*.SBendtrans-125.5119.7179.8-62.2100.2000109.9
536E69.5Low82.1Confident86 Ų8666.6 Ų66.640%0.40233%0.327SS..  trans-74.1132.8173.6-63.5-170.9168.400110.4I533 G674 R675I533-E536 HydrophobicContact CD1-CG 4.39Å; E536-G674 VanDerWaalsContact OE1-CA 3.26Å; E536-G674 WeakPolarHBondContact OE1-CA 3.28Å; E536-R675 PolarHBondContact OE1-N 3.38Å
537P69.9Low81.9Confident50 Ų5068.3 Ų68.333%0.32533%0.333SS..  trans-67.3140.8174.927.1-32.9000111I539 A676P537-I539 HydrophobicContact CB-CG2 4.07Å; P537-I539 HydrophobicContact CG-CG2 4.02Å; P537-I539 PolarHBondContact O-N 2.93Å; P537-A676 HydrophobicContact CG-CB 4Å
538I72.3Confident81.7Confident72 Ų7268.4 Ų68.437%0.36934%0.339SS..  trans-82.174.2177-51.2176.6000109.3R467 E540R467-I538 HydrophobicContact CG-CD1 3.92Å; I538-E540 VanDerWaalsContact C-N 3.29Å; I538-E540 PolarHBondContact O-N 3.14Å
539I79.1Confident81.7Confident5 Ų564.7 Ų64.73%0.02632%0.323CS..THydrogen-bonded Turntrans-73.5-19.5-17855.2172.7000113.5P537 T541 A542 Y543 A676 Y679 Q680P537-I539 HydrophobicContact CB-CG2 4.07Å; P537-I539 HydrophobicContact CG-CG2 4.02Å; P537-I539 PolarHBondContact O-N 2.93Å; I539-T541 PolarHBondContact O-N 3.09Å; I539-A542 PolarHBondContact O-N 2.73Å; I539-Y543 WeakPolarHBondContact O-CD2 2.81Å; I539-Y543 PolarHBondContact O-N 2.82Å; I539-A676 HydrophobicContact CD1-CB 3.82Å; I539-A676 WeakPolarHBondContact CD1-O 3.48Å; I539-A676 HydrophobicContact CG1-CB 4.38Å; I539-Y679 HydrophobicContact CD1-CD1 3.48Å; I539-Y679 VanDerWaalsContact CD1-CD1 3.48Å; I539-Y679 HydrophobicContact CD1-CE1 4.37Å; I539-Y679 HydrophobicContact CD1-CG 4.25Å; I539-Y679 HydrophobicContact CG1-CD1 3.8Å; I539-Y679 HydrophobicContact CG1-CE1 4.29Å; I539-Q680 HydrophobicContact CD1-CB 4.47Å; I539-Q680 HydrophobicContact CD1-CG 3.34Å
540E81.8Confident81.9Confident104 Ų10461.6 Ų61.649%0.48631%0.307SS..Hα-helixtrans-54-40.5-178.6-63-177.1170.800111.5I538 A542 Y543 N544 Y679I538-E540 VanDerWaalsContact C-N 3.29Å; I538-E540 PolarHBondContact O-N 3.14Å; E540-A542 PolarHBondContact O-N 2.86Å; E540-Y543 PolarHBondContact O-N 2.82Å; E540-N544 WeakPolarHBondContact O-CB 3.02Å; E540-N544 PolarHBondContact O-N 3.11Å; E540-N544 PolarHBondContact O-ND2 3.47Å; E540-N544 PolarHBondContact O-OD1 2.69Å; E540-Y679 HydrophobicContact CB-CE1 4.45Å; E540-Y679 HydrophobicContact CG-CE1 3.84Å; E540-Y679 HydrophobicContact CG-CE2 4.4Å
541T82.2Confident82.2Confident15 Ų1557.8 Ų57.89%0.09229%0.292CS..Hα-helixtrans-54.8-49.5175.2-67.40000113.4F465 H472 V474 I539 Y543 N544 L545F465-T541 HydrophobicContact CB-CG2 3.75Å; F465-T541 HydrophobicContact CD1-CG2 3.69Å; F465-T541 HydrophobicContact CD2-CG2 3.58Å; F465-T541 HydrophobicContact CE1-CG2 4.17Å; F465-T541 HydrophobicContact CE2-CG2 4.08Å; F465-T541 HydrophobicContact CG-CG2 3.36Å; F465-T541 HydrophobicContact CZ-CG2 4.36Å; H472-T541 WeakPolarHBondContact CE1-CG2 3.45Å; H472-T541 VanDerWaalsContact NE2-CG2 3.32Å; H472-T541 WeakPolarHBondContact NE2-CG2 3.1Å; H472-T541 PolarHBondContact NE2-OG1 3.39Å; V474-T541 HydrophobicContact CG2-CG2 3.44Å; V474-T541 VanDerWaalsContact CG2-CG2 3.44Å; I539-T541 PolarHBondContact O-N 3.09Å; T541-Y543 VanDerWaalsContact C-N 3.3Å; T541-Y543 PolarHBondContact O-N 3.4Å; T541-N544 PolarHBondContact O-N 3.12Å; T541-L545 PolarHBondContact O-N 2.77Å
542A86.3Confident82.8Confident0 Ų052.9 Ų52.90%026%0.262CS..Hα-helixtrans-66.4-34.6-179.700000111.6F465 E523 I539 E540 L545 A546 F614F465-A542 HydrophobicContact CD2-CB 4.37Å; F465-A542 HydrophobicContact CE2-CB 4.04Å; E523-A542 HydrophobicContact CG-CB 3.7Å; I539-A542 PolarHBondContact O-N 2.73Å; E540-A542 PolarHBondContact O-N 2.86Å; A542-L545 WeakPolarHBondContact O-CB 3.33Å; A542-L545 PolarHBondContact O-N 2.69Å; A542-A546 PolarHBondContact O-N 2.49Å; A542-F614 HydrophobicContact CB-CE1 4.11Å; A542-F614 HydrophobicContact CB-CE2 3.88Å; A542-F614 HydrophobicContact CB-CZ 3.47Å; A542-F614 VanDerWaalsContact CB-CZ 3.47Å; A542-F614 WeakPolarHBondContact O-CE1 3.06Å
543Y89.6Confident83.5Confident0 Ų048.5 Ų48.50%024%0.242CC..Hα-helixtrans-71.8-38174.2-80.8-80000113.1I539 E540 T541 L545 A546 E547 F613 F614 Y679 Q680 A683 R689 M693I539-Y543 WeakPolarHBondContact O-CD2 2.81Å; I539-Y543 PolarHBondContact O-N 2.82Å; E540-Y543 PolarHBondContact O-N 2.82Å; T541-Y543 VanDerWaalsContact C-N 3.3Å; T541-Y543 PolarHBondContact O-N 3.4Å; Y543-L545 VanDerWaalsContact C-N 3.26Å; Y543-L545 PolarHBondContact O-N 3.07Å; Y543-A546 PolarHBondContact O-N 2.8Å; Y543-E547 WeakPolarHBondContact O-CB 3.14Å; Y543-E547 PolarHBondContact O-N 2.76Å; Y543-F613 WeakPolarHBondContact OH-CB 3.5Å; Y543-F613 WeakPolarHBondContact OH-CD1 3.5Å; Y543-F613 WeakPolarHBondContact OH-CG 3.37Å; Y543-F614 HydrophobicContact CD1-CZ 4.31Å; Y543-F614 AromaticContact CD2-CZ 3.97Å; Y543-F614 HydrophobicContact CD2-CZ 3.97Å; Y543-F614 HydrophobicContact CE1-CZ 4.31Å; Y543-F614 HydrophobicContact CE2-CE2 4.37Å; Y543-F614 AromaticContact CE2-CZ 3.92Å; Y543-F614 HydrophobicContact CE2-CZ 3.92Å; Y543-F614 HydrophobicContact CG-CZ 4.16Å; Y543-Y679 HydrophobicContact CD2-CE1 4.05Å; Y543-Y679 HydrophobicContact CG-CE1 4.49Å; Y543-Q680 HydrophobicContact CE2-CB 4.36Å; Y543-Q680 HydrophobicContact CE2-CG 4.03Å; Y543-Q680 WeakPolarHBondContact OH-CA 3.45Å; Y543-Q680 WeakPolarHBondContact OH-CB 3.46Å; Y543-Q680 PolarHBondContact OH-O 2.98Å; Y543-A683 HydrophobicContact CD1-CB 3.5Å; Y543-A683 HydrophobicContact CD2-CB 4.08Å; Y543-A683 HydrophobicContact CE1-CB 3.57Å; Y543-A683 HydrophobicContact CE2-CB 4.18Å; Y543-A683 HydrophobicContact CG-CB 3.76Å; Y543-R689 PolarHBondContact O-NE 2.79Å; Y543-M693 HydrophobicContact CD1-CE 4.37Å; Y543-M693 HydrophobicContact CD1-SD 4.37Å; Y543-M693 HydrophobicContact CE1-CE 3.84Å; Y543-M693 HydrophobicContact CE1-SD 4.24Å
544N87.1Confident84Confident69 Ų6949.7 Ų49.737%0.36925%0.248SC..Hα-helixtrans-62.8-37.5173.4-68.8-16.2000110.6V474 E540 T541 E547 S548 R689V474-N544 HydrophobicContact CG1-CB 4.18Å; E540-N544 WeakPolarHBondContact O-CB 3.02Å; E540-N544 PolarHBondContact O-N 3.11Å; E540-N544 PolarHBondContact O-ND2 3.47Å; E540-N544 PolarHBondContact O-OD1 2.69Å; T541-N544 PolarHBondContact O-N 3.12Å; N544-E547 PolarHBondContact O-N 3.03Å; N544-S548 PolarHBondContact O-N 3.47Å; N544-R689 PolarHBondContact OD1-NH2 3.25Å
545L88Confident84.9Confident0 Ų042.9 Ų42.90%022%0.217CC..Hα-helixtrans-61.7-49.9171.2-179.460.7000111.9L463 F465 V474 I477 F515 M519 M522 T541 A542 Y543 E547 S548 S549L463-L545 HydrophobicContact CD1-CD2 3.94Å; F465-L545 HydrophobicContact CZ-CD2 3.77Å; V474-L545 HydrophobicContact CG2-CB 4.18Å; I477-L545 HydrophobicContact CB-CD1 3.86Å; I477-L545 HydrophobicContact CD1-CD1 3.99Å; I477-L545 HydrophobicContact CD1-CD2 4.38Å; I477-L545 HydrophobicContact CG2-CD1 3.31Å; F515-L545 HydrophobicContact CZ-CD1 4.1Å; M519-L545 HydrophobicContact CE-CD2 4.24Å; M519-L545 HydrophobicContact CE-CG 4.04Å; M519-L545 HydrophobicContact CG-CD2 4.24Å; M519-L545 HydrophobicContact SD-CD2 4.4Å; M519-L545 HydrophobicContact SD-CG 4.45Å; M522-L545 HydrophobicContact CE-CD2 4.34Å; M522-L545 HydrophobicContact SD-CD2 4.3Å; T541-L545 PolarHBondContact O-N 2.77Å; A542-L545 WeakPolarHBondContact O-CB 3.33Å; A542-L545 PolarHBondContact O-N 2.69Å; Y543-L545 VanDerWaalsContact C-N 3.26Å; Y543-L545 PolarHBondContact O-N 3.07Å; L545-E547 VanDerWaalsContact C-N 3.3Å; L545-E547 PolarHBondContact O-N 3.22Å; L545-S548 PolarHBondContact O-N 3.13Å; L545-S548 PolarHBondContact O-OG 2.96Å; L545-S549 PolarHBondContact O-N 3.49Å
546A88.9Confident86Confident8 Ų833.4 Ų33.47%0.06618%0.181CC..Hα-helixtrans-59.2-41.7177.200000112.1M519 A542 Y543 S549 T550 F614 M693M519-A546 HydrophobicContact CE-CB 4.41Å; A542-A546 PolarHBondContact O-N 2.49Å; Y543-A546 PolarHBondContact O-N 2.8Å; A546-S549 PolarHBondContact O-N 3.14Å; A546-S549 VanDerWaalsContact O-N 3.16Å; A546-S549 PolarHBondContact O-OG 3.3Å; A546-T550 PolarHBondContact O-N 3.09Å; A546-T550 PolarHBondContact O-OG1 3.34Å; A546-F614 HydrophobicContact CB-CD1 4.37Å; A546-F614 HydrophobicContact CB-CE1 3.97Å; A546-M693 HydrophobicContact CB-SD 4.44Å
547E89.4Confident87Confident73 Ų7330 Ų3034%0.34117%0.165SC..Hα-helixtrans-57.9-50.2174.5-170.8175.6161.500112Y543 N544 L545 S549 T550 E688 R689Y543-E547 WeakPolarHBondContact O-CB 3.14Å; Y543-E547 PolarHBondContact O-N 2.76Å; N544-E547 PolarHBondContact O-N 3.03Å; L545-E547 VanDerWaalsContact C-N 3.3Å; L545-E547 PolarHBondContact O-N 3.22Å; E547-S549 PolarHBondContact O-N 3.3Å; E547-T550 VanDerWaalsContact O-CB 3.31Å; E547-T550 WeakPolarHBondContact O-CB 3.24Å; E547-T550 PolarHBondContact O-N 3.4Å; E547-T550 PolarHBondContact O-OG1 2.76Å; E547-E688 HydrophobicContact CG-CB 4.42Å; E547-R689 HydrophobicContact CB-CG 4.07Å; E547-R689 HydrophobicContact CG-CG 4.27Å; E547-R689 IonicContact OE2-CZ 3.89Å; E547-R689 VanDerWaalsContact OE2-CZ 3.29Å; E547-R689 IonicContact OE2-NE 3.6Å; E547-R689 PolarHBondContact OE2-NE 2.76Å; E547-R689 VanDerWaalsContact OE2-NE 3.13Å; E547-R689 IonicContact OE2-NH2 3.95Å; E547-R689 PolarHBondContact OE2-NH2 3.05Å
548S88Confident88Confident37 Ų3731 Ų3126%0.25917%0.165SC..Hα-helixtrans-58.8-21.5178.674.70000113.8N544 L545N544-S548 PolarHBondContact O-N 3.47Å; L545-S548 PolarHBondContact O-N 3.13Å; L545-S548 PolarHBondContact O-OG 2.96Å
549S89.6Confident89Confident7 Ų727.6 Ų27.65%0.04915%0.148CC..Hα-helixtrans-86.2-17.3175.976.10000114.3L545 A546 E547 S551 L552 L553L545-S549 PolarHBondContact O-N 3.49Å; A546-S549 PolarHBondContact O-N 3.14Å; A546-S549 VanDerWaalsContact O-N 3.16Å; A546-S549 PolarHBondContact O-OG 3.3Å; E547-S549 PolarHBondContact O-N 3.3Å; S549-S551 PolarHBondContact O-N 3.19Å; S549-L552 WeakPolarHBondContact O-CB 3.37Å; S549-L552 PolarHBondContact O-N 3.3Å; S549-L553 WeakPolarHBondContact O-CG 3.42Å; S549-L553 PolarHBondContact O-N 3.31Å
550T90.1Very high89.6Confident8 Ų827.4 Ų27.45%0.04915%0.147CC..Hα-helixtrans-59.4-52.4-167.8-61.60000112.4A546 E547 L552 L553 Q554 E692A546-T550 PolarHBondContact O-N 3.09Å; A546-T550 PolarHBondContact O-OG1 3.34Å; E547-T550 VanDerWaalsContact O-CB 3.31Å; E547-T550 WeakPolarHBondContact O-CB 3.24Å; E547-T550 PolarHBondContact O-N 3.4Å; E547-T550 PolarHBondContact O-OG1 2.76Å; T550-L552 VanDerWaalsContact C-N 3.3Å; T550-L552 PolarHBondContact O-N 2.95Å; T550-L553 PolarHBondContact O-N 3.47Å; T550-Q554 WeakPolarHBondContact O-CG 3.2Å; T550-Q554 PolarHBondContact O-N 3.18Å; T550-E692 HydrophobicContact CG2-CB 4.43Å; T550-E692 HydrophobicContact CG2-CG 4Å
551S88.1Confident89.8Confident68 Ų6825.8 Ų25.848%0.47615%0.147SC..Hα-helixtrans-61.8-38.4-179.6-52.10000112.4S549 L555S549-S551 PolarHBondContact O-N 3.19Å; S551-L555 WeakPolarHBondContact O-CG 3.2Å; S551-L555 PolarHBondContact O-N 3.22Å
552L93.9Very high90.2Very high1 Ų126 Ų261%0.00515%0.149CC..Hα-helixtrans-62.8-47.9176.2171.965.3000111.3F446 L481 V484 L488 L512 S549 T550 Q554 L555 I556F446-L552 HydrophobicContact CE1-CD2 3.88Å; F446-L552 HydrophobicContact CZ-CD1 4.28Å; F446-L552 HydrophobicContact CZ-CD2 3.87Å; L481-L552 HydrophobicContact CB-CD2 4.21Å; L481-L552 HydrophobicContact CD2-CD2 3.56Å; L481-L552 HydrophobicContact CG-CD2 4.4Å; V484-L552 HydrophobicContact CB-CD1 4.05Å; V484-L552 HydrophobicContact CG1-CD1 3.58Å; L488-L552 HydrophobicContact CD1-CD1 3.69Å; L512-L552 HydrophobicContact CD1-CD2 4.41Å; S549-L552 WeakPolarHBondContact O-CB 3.37Å; S549-L552 PolarHBondContact O-N 3.3Å; T550-L552 VanDerWaalsContact C-N 3.3Å; T550-L552 PolarHBondContact O-N 2.95Å; L552-Q554 VanDerWaalsContact C-N 3.34Å; L552-Q554 PolarHBondContact O-N 3.08Å; L552-L555 PolarHBondContact O-N 3.34Å; L552-I556 HydrophobicContact CD1-CD1 4.04Å; L552-I556 HydrophobicContact CD1-CG1 4.38Å; L552-I556 HydrophobicContact CG-CD1 4.02Å; L552-I556 WeakPolarHBondContact O-CG1 3.29Å; L552-I556 PolarHBondContact O-N 2.82Å
553L93.8Very high90.4Very high11 Ų1126.8 Ų26.86%0.05815%0.153CC..Hα-helixtrans-64.2-40.7-178.9-63.5-175.3000111.2L512 L516 S549 T550 I556 H557 M620 E692L512-L553 HydrophobicContact CD2-CD2 4.2Å; L516-L553 HydrophobicContact CD2-CD2 4.44Å; S549-L553 WeakPolarHBondContact O-CG 3.42Å; S549-L553 PolarHBondContact O-N 3.31Å; T550-L553 PolarHBondContact O-N 3.47Å; L553-I556 PolarHBondContact O-N 3.36Å; L553-H557 PolarHBondContact O-N 3.47Å; L553-H557 PolarHBondContact O-ND1 3.32Å; L553-M620 HydrophobicContact CB-SD 4.42Å; L553-M620 HydrophobicContact CD1-SD 4.22Å; L553-M620 HydrophobicContact CD2-SD 3.76Å; L553-M620 HydrophobicContact CG-SD 4.34Å; L553-E692 HydrophobicContact CB-CG 4.36Å
554Q90.5Very high90.1Very high55 Ų5530.9 Ų30.926%0.25719%0.187SC..Hα-helixtrans-58.1-49.1172.9-72.3174.5-12.200111.5T550 L552 I556 H557 E558 E692 Q798T550-Q554 WeakPolarHBondContact O-CG 3.2Å; T550-Q554 PolarHBondContact O-N 3.18Å; L552-Q554 VanDerWaalsContact C-N 3.34Å; L552-Q554 PolarHBondContact O-N 3.08Å; Q554-I556 VanDerWaalsContact C-N 3.28Å; Q554-I556 PolarHBondContact O-N 3.1Å; Q554-H557 WeakPolarHBondContact O-CB 3.36Å; Q554-H557 PolarHBondContact O-N 2.75Å; Q554-H557 VanDerWaalsContact O-N 3.1Å; Q554-E558 WeakPolarHBondContact O-CG 3.46Å; Q554-E558 PolarHBondContact O-N 3.4Å; Q554-E692 HydrophobicContact CG-CG 4.34Å; Q554-Q798 VanDerWaalsContact NE2-OE1 3.15Å
555L93Very high90.1Very high28 Ų2833.6 Ų33.615%0.14720%0.196CC..Hα-helixtrans-60-37.2176.7-74.1170.2000112.4L488 S551 L552 E558 W559L488-L555 HydrophobicContact CB-CB 4.09Å; L488-L555 HydrophobicContact CB-CD1 4.12Å; S551-L555 WeakPolarHBondContact O-CG 3.2Å; S551-L555 PolarHBondContact O-N 3.22Å; L552-L555 PolarHBondContact O-N 3.34Å; L555-E558 PolarHBondContact O-N 3.14Å; L555-W559 WeakPolarHBondContact O-CB 3.26Å; L555-W559 PolarHBondContact O-N 2.93Å
556I94.9Very high90.3Very high4 Ų433.6 Ų33.62%0.02120%0.196CC..Hα-helixtrans-65.1-42.2175.1-70.7170.7000111.2L488 F505 Y509 L512 L552 L553 Q554 E558 A560 M620 F624L488-I556 HydrophobicContact CD1-CG1 3.91Å; F505-I556 HydrophobicContact CZ-CG2 4.45Å; Y509-I556 HydrophobicContact CD2-CG2 4.13Å; L512-I556 HydrophobicContact CD2-CD1 3.17Å; L552-I556 HydrophobicContact CD1-CD1 4.04Å; L552-I556 HydrophobicContact CD1-CG1 4.38Å; L552-I556 HydrophobicContact CG-CD1 4.02Å; L552-I556 WeakPolarHBondContact O-CG1 3.29Å; L552-I556 PolarHBondContact O-N 2.82Å; L553-I556 PolarHBondContact O-N 3.36Å; Q554-I556 VanDerWaalsContact C-N 3.28Å; Q554-I556 PolarHBondContact O-N 3.1Å; I556-E558 VanDerWaalsContact C-N 3.34Å; I556-A560 VanDerWaalsContact O-CB 3.26Å; I556-A560 WeakPolarHBondContact O-CB 3.3Å; I556-A560 PolarHBondContact O-N 3.32Å; I556-M620 HydrophobicContact CG2-CE 4.21Å; I556-F624 HydrophobicContact CG2-CE1 4.22Å; I556-F624 HydrophobicContact CG2-CZ 3.87Å
557H91.4Very high90.3Very high14 Ų1433.4 Ų33.47%0.06519%0.194CC..Hα-helixtrans-61.8-42.4174.4-68.1126.7000111.6L553 Q554 A560 S561 M620 F624 N627 E692 R696L553-H557 PolarHBondContact O-N 3.47Å; L553-H557 PolarHBondContact O-ND1 3.32Å; Q554-H557 WeakPolarHBondContact O-CB 3.36Å; Q554-H557 PolarHBondContact O-N 2.75Å; Q554-H557 VanDerWaalsContact O-N 3.1Å; H557-A560 PolarHBondContact O-N 3.21Å; H557-S561 WeakPolarHBondContact O-CB 3.19Å; H557-S561 PolarHBondContact O-N 2.69Å; H557-M620 VanDerWaalsContact NE2-CE 3.33Å; H557-M620 WeakPolarHBondContact NE2-CE 3.15Å; H557-F624 AromaticContact CD2-CD1 3.86Å; H557-F624 AromaticContact CD2-CE1 3.76Å; H557-N627 PolarHBondContact O-ND2 3.38Å; H557-E692 IonicContact CE1-OE1 3.13Å; H557-E692 IonicContact CE1-OE2 3.87Å; H557-E692 PolarHBondContact CE1-OE2 3.44Å; H557-E692 IonicContact ND1-OE1 3.67Å; H557-E692 PolarHBondContact ND1-OE1 3.37Å; H557-E692 IonicContact ND1-OE2 3.79Å; H557-R696 PolarHBondContact CE1-NH2 3.4Å; H557-R696 PolarHBondContact ND1-NH2 3.01Å
558E89.8Confident90.1Very high73 Ų7333.1 Ų33.134%0.34120%0.2SC..Hα-helixtrans-64.8-47.6177.6-68.6-165.9155.300112.2V491 Q554 L555 I556 A560 S561 S562 K770V491-E558 HydrophobicContact CG2-CB 4.09Å; Q554-E558 WeakPolarHBondContact O-CG 3.46Å; Q554-E558 PolarHBondContact O-N 3.4Å; L555-E558 PolarHBondContact O-N 3.14Å; I556-E558 VanDerWaalsContact C-N 3.34Å; E558-A560 VanDerWaalsContact C-N 3.31Å; E558-A560 PolarHBondContact O-N 3.48Å; E558-S561 PolarHBondContact O-N 3.22Å; E558-S561 PolarHBondContact O-OG 3.28Å; E558-S562 PolarHBondContact O-N 2.89Å; E558-S562 VanDerWaalsContact O-N 3.08Å; E558-K770 IonicContact OE1-NZ 3.01Å
559W93.3Very high90.1Very high0 Ų035.6 Ų35.60%021%0.21CC..Hα-helixtrans-56.8-45.4173.2-88.465.6000111.6M433 I436 L488 N490 P492 W497 L501 F505 L555 S561 S562M433-W559 HydrophobicContact CE-CH2 3.8Å; M433-W559 HydrophobicContact CE-CZ2 4.25Å; M433-W559 HydrophobicContact SD-CH2 4.22Å; I436-W559 HydrophobicContact CD1-CH2 3.87Å; I436-W559 HydrophobicContact CD1-CZ2 4.25Å; L488-W559 HydrophobicContact CD2-CD2 3.95Å; L488-W559 HydrophobicContact CD2-CE3 4.4Å; L488-W559 HydrophobicContact CD2-CG 4.39Å; L488-W559 HydrophobicContact CD2-CH2 4.34Å; L488-W559 HydrophobicContact CD2-CZ2 3.86Å; L488-W559 PolarHBondContact O-NE1 2.96Å; N490-W559 VanDerWaalsContact O-CZ2 3.3Å; N490-W559 WeakPolarHBondContact O-CZ2 3.1Å; P492-W559 VanDerWaalsContact CD-CD2 3.47Å; P492-W559 VanDerWaalsContact CD-CE2 3.44Å; P492-W559 HydrophobicContact CG-CD2 4.08Å; P492-W559 HydrophobicContact CG-CE3 3.7Å; P492-W559 HydrophobicContact CG-CH2 3.53Å; P492-W559 HydrophobicContact CG-CZ2 3.92Å; P492-W559 HydrophobicContact CG-CZ3 3.41Å; P492-W559 VanDerWaalsContact CG-CZ3 3.41Å; W497-W559 AromaticContact CH2-CE3 3.67Å; W497-W559 HydrophobicContact CH2-CE3 3.67Å; W497-W559 HydrophobicContact CH2-CZ3 4.1Å; W497-W559 AromaticContact CZ2-CE3 3.94Å; W497-W559 HydrophobicContact CZ2-CE3 3.94Å; W497-W559 HydrophobicContact CZ2-CZ3 4.49Å; L501-W559 HydrophobicContact CD1-CZ3 4.3Å; F505-W559 HydrophobicContact CD2-CD2 4.29Å; F505-W559 AromaticContact CD2-CE3 3.58Å; F505-W559 HydrophobicContact CD2-CE3 3.58Å; F505-W559 HydrophobicContact CD2-CZ3 4.06Å; F505-W559 HydrophobicContact CE1-CB 3.99Å; F505-W559 HydrophobicContact CE2-CB 3.85Å; F505-W559 AromaticContact CE2-CD2 3.94Å; F505-W559 HydrophobicContact CE2-CD2 3.94Å; F505-W559 AromaticContact CE2-CE3 3.69Å; F505-W559 HydrophobicContact CE2-CE3 3.69Å; F505-W559 HydrophobicContact CE2-CG 4.04Å; F505-W559 HydrophobicContact CG-CE3 4.07Å; F505-W559 HydrophobicContact CZ-CB 3.39Å; F505-W559 HydrophobicContact CZ-CD2 4.38Å; F505-W559 HydrophobicContact CZ-CE3 4.24Å; F505-W559 HydrophobicContact CZ-CG 4.1Å; L555-W559 WeakPolarHBondContact O-CB 3.26Å; L555-W559 PolarHBondContact O-N 2.93Å; W559-S561 VanDerWaalsContact C-N 3.34Å; W559-S561 PolarHBondContact O-N 2.92Å; W559-S562 PolarHBondContact O-N 3.24Å; W559-S562 PolarHBondContact O-OG 3.05Å
560A90.9Very high90.2Very high0 Ų035.3 Ų35.30%021%0.208CC..Hα-helixtrans-60.8-43.7177.200000111.8I556 H557 E558 S562 D563 A567 L570 F624I556-A560 VanDerWaalsContact O-CB 3.26Å; I556-A560 WeakPolarHBondContact O-CB 3.3Å; I556-A560 PolarHBondContact O-N 3.32Å; H557-A560 PolarHBondContact O-N 3.21Å; E558-A560 VanDerWaalsContact C-N 3.31Å; E558-A560 PolarHBondContact O-N 3.48Å; A560-S562 PolarHBondContact O-N 2.7Å; A560-D563 VanDerWaalsContact O-O 3.09Å; A560-A567 WeakPolarHBondContact O-CB 3.46Å; A560-L570 HydrophobicContact CB-CD1 3.89Å; A560-F624 HydrophobicContact CB-CD1 3.93Å; A560-F624 HydrophobicContact CB-CE1 3.59Å
561S87.6Confident90.2Very high70 Ų7034.9 Ų34.949%0.4921%0.205SC..Hα-helixtrans-67.8-21.1-179.8760000113.8H557 E558 W559 N627H557-S561 WeakPolarHBondContact O-CB 3.19Å; H557-S561 PolarHBondContact O-N 2.69Å; E558-S561 PolarHBondContact O-N 3.22Å; E558-S561 PolarHBondContact O-OG 3.28Å; W559-S561 VanDerWaalsContact C-N 3.34Å; W559-S561 PolarHBondContact O-N 2.92Å; S561-N627 WeakPolarHBondContact CB-OD1 3.29Å
562S90Very high90.2Very high21 Ų2137.8 Ų37.815%0.14721%0.206CC..Hα-helixtrans-75.7-19.4-177.875.70000114.4P492 W497 E558 W559 A560P492-S562 WeakPolarHBondContact O-CB 3.49Å; P492-S562 PolarHBondContact O-OG 3.36Å; W497-S562 WeakPolarHBondContact CZ2-OG 3.44Å; W497-S562 PolarHBondContact NE1-OG 2.97Å; E558-S562 PolarHBondContact O-N 2.89Å; E558-S562 VanDerWaalsContact O-N 3.08Å; W559-S562 PolarHBondContact O-N 3.24Å; W559-S562 PolarHBondContact O-OG 3.05Å; A560-S562 PolarHBondContact O-N 2.7Å
563D89.9Confident90Very high16 Ų1639.4 Ų39.49%0.08621%0.213CC..  trans-137.1121.5177.7-179.787.1000111.9W497 R502 A560 K565 V566 A567W497-D563 HydrophobicContact CD2-CB 3.79Å; W497-D563 HydrophobicContact CE3-CB 4.48Å; W497-D563 HydrophobicContact CG-CB 3.88Å; W497-D563 HydrophobicContact CZ2-CB 4.14Å; R502-D563 IonicContact CZ-OD1 2.57Å; R502-D563 IonicContact NE-OD1 2.76Å; R502-D563 PolarHBondContact NE-OD1 3.48Å; R502-D563 IonicContact NE-OD2 3.15Å; R502-D563 PolarHBondContact NE-OD2 2.95Å; R502-D563 IonicContact NH2-OD1 3.84Å; R502-D563 PolarHBondContact NH2-OD1 2.96Å; A560-D563 VanDerWaalsContact O-O 3.09Å; D563-K565 VanDerWaalsContact C-N 3.3Å; D563-K565 PolarHBondContact O-N 3.03Å; D563-K565 WeakPolarHBondContact OD2-CB 3.5Å; D563-K565 PolarHBondContact OD2-N 3.47Å; D563-K565 VanDerWaalsContact OD2-N 3.11Å; D563-V566 HydrophobicContact CB-CB 4.18Å; D563-V566 HydrophobicContact CB-CG2 4.15Å; D563-V566 PolarHBondContact O-N 2.87Å; D563-V566 WeakPolarHBondContact OD2-CG2 3.49Å; D563-V566 PolarHBondContact OD2-N 3.49Å; D563-A567 PolarHBondContact O-N 3.13Å
564A84.8Confident90Very high85 Ų8539 Ų3970%0.70221%0.211SC*.Hα-helixtrans-62.8-32.2-175.300000113.8S568A564-S568 PolarHBondContact O-N 3.2Å
565K87.1Confident90Very high127 Ų12736.4 Ų36.455%0.55220%0.199SC*.Hα-helixtrans-70.1-44177.9-63.3178.4178.51770110.2D563 S568 L569D563-K565 VanDerWaalsContact C-N 3.3Å; D563-K565 PolarHBondContact O-N 3.03Å; D563-K565 WeakPolarHBondContact OD2-CB 3.5Å; D563-K565 PolarHBondContact OD2-N 3.47Å; D563-K565 VanDerWaalsContact OD2-N 3.11Å; K565-S568 PolarHBondContact O-N 3.25Å; K565-L569 VanDerWaalsContact O-CG 3.3Å; K565-L569 WeakPolarHBondContact O-CG 3.4Å; K565-L569 PolarHBondContact O-N 3.43Å
566V90.6Very high89.9Confident0 Ų037 Ų370%021%0.205CC..Hα-helixtrans-62.7-47.4175.71740000110.9W497 R502 F505 D563 S568 L569 L570W497-V566 HydrophobicContact CE3-CG2 4.24Å; W497-V566 HydrophobicContact CH2-CG1 4.49Å; W497-V566 HydrophobicContact CH2-CG2 3.95Å; W497-V566 HydrophobicContact CZ3-CG2 3.75Å; R502-V566 HydrophobicContact CB-CG2 4.16Å; R502-V566 HydrophobicContact CG-CG2 3.77Å; F505-V566 HydrophobicContact CD1-CG1 3.58Å; F505-V566 HydrophobicContact CE1-CG1 3.65Å; D563-V566 HydrophobicContact CB-CB 4.18Å; D563-V566 HydrophobicContact CB-CG2 4.15Å; D563-V566 PolarHBondContact O-N 2.87Å; D563-V566 WeakPolarHBondContact OD2-CG2 3.49Å; D563-V566 PolarHBondContact OD2-N 3.49Å; V566-S568 VanDerWaalsContact C-N 3.31Å; V566-S568 PolarHBondContact O-N 3.38Å; V566-L569 PolarHBondContact O-N 3.17Å; V566-L570 HydrophobicContact CG1-CD1 3.99Å; V566-L570 HydrophobicContact CG1-CG 4.05Å; V566-L570 WeakPolarHBondContact O-CG 3.4Å; V566-L570 PolarHBondContact O-N 3.3Å
567A88.5Confident89.8Confident3 Ų337.3 Ų37.33%0.02521%0.207CC..Hα-helixtrans-51.7-49176.300000112.1A560 D563 L570 L571 N627A560-A567 WeakPolarHBondContact O-CB 3.46Å; D563-A567 PolarHBondContact O-N 3.13Å; A567-L570 PolarHBondContact O-N 3.21Å; A567-L571 WeakPolarHBondContact O-CB 3.48Å; A567-L571 PolarHBondContact O-N 3.36Å; A567-N627 HydrophobicContact CB-CB 4.07Å
568S85.4Confident90Very high67 Ų6736.7 Ų36.747%0.46920%0.204SC..Hα-helixtrans-64.3-43.2178.8-1770000112.8A564 K565 V566 R572A564-S568 PolarHBondContact O-N 3.2Å; K565-S568 PolarHBondContact O-N 3.25Å; V566-S568 VanDerWaalsContact C-N 3.31Å; V566-S568 PolarHBondContact O-N 3.38Å; S568-R572 WeakPolarHBondContact O-CB 3.49Å; S568-R572 PolarHBondContact O-N 3.09Å
569L89.1Confident90Very high90 Ų9033.3 Ų33.347%0.47119%0.189SC..Hα-helixtrans-64.3-42.3178-73.7172.1000112.4V506 K565 V566 Q573V506-L569 HydrophobicContact CG2-CB 4.33Å; V506-L569 HydrophobicContact CG2-CD1 4.19Å; K565-L569 VanDerWaalsContact O-CG 3.3Å; K565-L569 WeakPolarHBondContact O-CG 3.4Å; K565-L569 PolarHBondContact O-N 3.43Å; V566-L569 PolarHBondContact O-N 3.17Å; L569-Q573 WeakPolarHBondContact O-CB 3.42Å; L569-Q573 PolarHBondContact O-N 3.27Å
570L92.1Very high89.9Confident0 Ų038.7 Ų38.70%021%0.213CC..Hα-helixtrans-72.1-38.7179.7-65.8-165000112.1F505 V506 Y509 A560 V566 A567 R572 Q573 A574 F624F505-L570 HydrophobicContact CD1-CD1 4.43Å; F505-L570 HydrophobicContact CE1-CD1 3.7Å; F505-L570 HydrophobicContact CZ-CD1 4.44Å; V506-L570 HydrophobicContact CB-CD2 4.48Å; V506-L570 HydrophobicContact CG1-CD2 4.42Å; V506-L570 HydrophobicContact CG2-CD2 4.04Å; Y509-L570 HydrophobicContact CD1-CD2 3.52Å; Y509-L570 HydrophobicContact CE1-CD2 4.25Å; Y509-L570 HydrophobicContact CG-CD1 4.36Å; Y509-L570 HydrophobicContact CG-CD2 3.67Å; A560-L570 HydrophobicContact CB-CD1 3.89Å; V566-L570 HydrophobicContact CG1-CD1 3.99Å; V566-L570 HydrophobicContact CG1-CG 4.05Å; V566-L570 WeakPolarHBondContact O-CG 3.4Å; V566-L570 PolarHBondContact O-N 3.3Å; A567-L570 PolarHBondContact O-N 3.21Å; L570-R572 VanDerWaalsContact C-N 3.33Å; L570-R572 PolarHBondContact O-N 3.44Å; L570-Q573 PolarHBondContact O-N 3.31Å; L570-A574 WeakPolarHBondContact O-CB 3.12Å; L570-A574 PolarHBondContact O-N 2.74Å; L570-F624 HydrophobicContact CB-CD1 4.3Å; L570-F624 HydrophobicContact CB-CD2 4.26Å; L570-F624 HydrophobicContact CB-CE1 4.11Å; L570-F624 HydrophobicContact CB-CE2 4.04Å; L570-F624 HydrophobicContact CB-CG 4.39Å; L570-F624 HydrophobicContact CB-CZ 3.96Å; L570-F624 HydrophobicContact CD1-CE1 3.9Å; L570-F624 HydrophobicContact CD1-CZ 3.8Å
571L89Confident90Very high0 Ų040.2 Ų40.20%022%0.218CC..Hα-helixtrans-60-46.5172.9-178.262.9000111A567 Q573 A574 A575 L621 F624 I628 F642A567-L571 WeakPolarHBondContact O-CB 3.48Å; A567-L571 PolarHBondContact O-N 3.36Å; L571-Q573 VanDerWaalsContact C-N 3.35Å; L571-Q573 PolarHBondContact O-N 2.89Å; L571-A574 PolarHBondContact O-N 3.39Å; L571-A575 WeakPolarHBondContact O-CB 3.35Å; L571-A575 PolarHBondContact O-N 3.11Å; L571-L621 HydrophobicContact CD1-CD1 3.62Å; L571-F624 HydrophobicContact CB-CB 4.09Å; L571-F624 HydrophobicContact CD1-CB 3.77Å; L571-I628 HydrophobicContact CB-CD1 4.17Å; L571-I628 HydrophobicContact CD2-CD1 3.19Å; L571-I628 HydrophobicContact CD2-CG1 3.89Å; L571-I628 HydrophobicContact CG-CD1 4.27Å; L571-F642 HydrophobicContact CB-CE1 4.49Å; L571-F642 HydrophobicContact CD2-CE1 3.6Å; L571-F642 HydrophobicContact CD2-CZ 3.57Å; L571-F642 HydrophobicContact CG-CE1 3.65Å; L571-F642 HydrophobicContact CG-CZ 3.92Å
572R87.9Confident90.3Very high128 Ų12837.2 Ų37.248%0.48320%0.197SC..Hα-helixtrans-60.9-43.8176.9-178.2171.6-176.1171.30.1112S568 L570 A575 C576 F642S568-R572 WeakPolarHBondContact O-CB 3.49Å; S568-R572 PolarHBondContact O-N 3.09Å; L570-R572 VanDerWaalsContact C-N 3.33Å; L570-R572 PolarHBondContact O-N 3.44Å; R572-A575 PolarHBondContact O-N 2.71Å; R572-C576 PolarHBondContact O-N 2.8Å; R572-C576 PolarHBondContact O-SG 3.13Å; R572-F642 HydrophobicContact CB-CD1 4.15Å; R572-F642 HydrophobicContact CG-CD1 4.43Å; R572-F642 PolarHBondContact NE-O 3.44Å; R572-F642 VanDerWaalsContact NE-O 3.13Å
573Q91Very high90.2Very high36 Ų3642.9 Ų42.917%0.16822%0.221CC..Hα-helixtrans-61.8-47176.8-176.962.262.900111.2Y509 R510 L569 L570 L571 A575 C576 D577Y509-Q573 HydrophobicContact CD1-CG 4.07Å; Y509-Q573 HydrophobicContact CE1-CB 4.21Å; Y509-Q573 HydrophobicContact CE1-CG 3.78Å; R510-Q573 HydrophobicContact CG-CG 4.29Å; L569-Q573 WeakPolarHBondContact O-CB 3.42Å; L569-Q573 PolarHBondContact O-N 3.27Å; L570-Q573 PolarHBondContact O-N 3.31Å; L571-Q573 VanDerWaalsContact C-N 3.35Å; L571-Q573 PolarHBondContact O-N 2.89Å; Q573-A575 VanDerWaalsContact C-N 3.35Å; Q573-A575 PolarHBondContact O-N 3.28Å; Q573-C576 WeakPolarHBondContact O-CB 3.23Å; Q573-C576 PolarHBondContact O-N 3.09Å; Q573-D577 PolarHBondContact NE2-OD2 3.15Å; Q573-D577 PolarHBondContact O-N 3.43Å
574A93Very high90.2Very high2 Ų249 Ų492%0.01725%0.247CC..Hα-helixtrans-60.8-41.617700000112.1L570 L571 C576 D577 V578 L621 F624L570-A574 WeakPolarHBondContact O-CB 3.12Å; L570-A574 PolarHBondContact O-N 2.74Å; L571-A574 PolarHBondContact O-N 3.39Å; A574-C576 PolarHBondContact O-N 3.39Å; A574-D577 PolarHBondContact O-N 3.39Å; A574-V578 WeakPolarHBondContact O-CG2 3.34Å; A574-V578 PolarHBondContact O-N 3.23Å; A574-L621 HydrophobicContact CB-CB 4.19Å; A574-L621 HydrophobicContact CB-CD1 4.34Å; A574-F624 HydrophobicContact CB-CD2 3.88Å; A574-F624 HydrophobicContact CB-CE2 4.38Å
575A90.4Very high90.4Very high0 Ų048.2 Ų48.20%023%0.228CC..Hα-helixtrans-61.4-43.4174.600000111.8L571 R572 Q573 V578 A579 L621 F642 V644 M646L571-A575 WeakPolarHBondContact O-CB 3.35Å; L571-A575 PolarHBondContact O-N 3.11Å; R572-A575 PolarHBondContact O-N 2.71Å; Q573-A575 VanDerWaalsContact C-N 3.35Å; Q573-A575 PolarHBondContact O-N 3.28Å; A575-V578 PolarHBondContact O-N 3.36Å; A575-A579 VanDerWaalsContact O-CB 3.26Å; A575-A579 WeakPolarHBondContact O-CB 3.29Å; A575-A579 PolarHBondContact O-N 3.32Å; A575-L621 HydrophobicContact CB-CD1 4.09Å; A575-F642 HydrophobicContact CB-CB 4.09Å; A575-F642 HydrophobicContact CB-CD1 4.22Å; A575-F642 HydrophobicContact CB-CD2 4.27Å; A575-F642 HydrophobicContact CB-CG 3.93Å; A575-V644 HydrophobicContact CB-CG2 4.36Å; A575-M646 HydrophobicContact CB-SD 4.22Å
576C91.5Very high90.5Very high41 Ų4147.7 Ų47.728%0.27724%0.241SC..Hα-helixtrans-62.9-41.5174.6-68.60000112.6R572 Q573 A574 A579 F580R572-C576 PolarHBondContact O-N 2.8Å; R572-C576 PolarHBondContact O-SG 3.13Å; Q573-C576 WeakPolarHBondContact O-CB 3.23Å; Q573-C576 PolarHBondContact O-N 3.09Å; A574-C576 PolarHBondContact O-N 3.39Å; C576-A579 PolarHBondContact O-N 3.47Å; C576-F580 VanDerWaalsContact O-CB 3.32Å; C576-F580 WeakPolarHBondContact O-CB 3.5Å; C576-F580 PolarHBondContact O-N 3.33Å
577D93.1Very high90.6Very high11 Ų1149.6 Ų49.66%0.05925%0.249CC..Hα-helixtrans-65.9-41.4179.2-73.8-52.5000111.8K517 Q573 A574 Y581K517-D577 WeakPolarHBondContact CE-OD1 3.34Å; K517-D577 IonicContact NZ-OD1 2.6Å; K517-D577 PolarHBondContact NZ-OD1 2.95Å; Q573-D577 PolarHBondContact NE2-OD2 3.15Å; Q573-D577 PolarHBondContact O-N 3.43Å; A574-D577 PolarHBondContact O-N 3.39Å; D577-Y581 PolarHBondContact O-N 2.79Å; D577-Y581 VanDerWaalsContact O-N 3.08Å
578V94Very high90.8Very high0 Ų056 Ų560%027%0.272CS..Hα-helixtrans-69-44.2175178.90000111.2A574 A575 F580 Y581 L582 L617 Q618 L621 M646 L651A574-V578 WeakPolarHBondContact O-CG2 3.34Å; A574-V578 PolarHBondContact O-N 3.23Å; A575-V578 PolarHBondContact O-N 3.36Å; V578-F580 VanDerWaalsContact C-N 3.31Å; V578-F580 PolarHBondContact O-N 3.18Å; V578-Y581 WeakPolarHBondContact O-CB 3.37Å; V578-Y581 PolarHBondContact O-N 2.75Å; V578-Y581 VanDerWaalsContact O-N 3.14Å; V578-L582 HydrophobicContact CG1-CD1 3.9Å; V578-L582 HydrophobicContact CG1-CG 4.07Å; V578-L582 WeakPolarHBondContact O-CG 3.22Å; V578-L582 PolarHBondContact O-N 3.34Å; V578-L617 HydrophobicContact CG2-CB 4.03Å; V578-L617 WeakPolarHBondContact CG2-O 3.41Å; V578-Q618 HydrophobicContact CG1-CG 4.06Å; V578-Q618 HydrophobicContact CG2-CG 4.45Å; V578-L621 HydrophobicContact CB-CD2 4.1Å; V578-L621 HydrophobicContact CG1-CD2 4.26Å; V578-L621 HydrophobicContact CG2-CB 4.01Å; V578-L621 HydrophobicContact CG2-CD2 3.92Å; V578-M646 HydrophobicContact CB-CE 3.78Å; V578-M646 HydrophobicContact CG1-CE 3.4Å; V578-M646 VanDerWaalsContact CG1-CE 3.4Å; V578-L651 HydrophobicContact CG1-CD1 3.81Å
579A91.3Very high91.2Very high3 Ų357.6 Ų57.63%0.02527%0.268CS..Hα-helixtrans-58.5-44.4176.500000111.5A575 C576 Y581 L582 H583 V644 M646A575-A579 VanDerWaalsContact O-CB 3.26Å; A575-A579 WeakPolarHBondContact O-CB 3.29Å; A575-A579 PolarHBondContact O-N 3.32Å; C576-A579 PolarHBondContact O-N 3.47Å; A579-Y581 VanDerWaalsContact C-N 3.31Å; A579-Y581 PolarHBondContact O-N 2.94Å; A579-L582 PolarHBondContact O-N 3.32Å; A579-H583 WeakPolarHBondContact O-CB 3.29Å; A579-H583 PolarHBondContact O-CD2 3.41Å; A579-H583 PolarHBondContact O-N 3.25Å; A579-V644 HydrophobicContact CB-CB 3.91Å; A579-V644 HydrophobicContact CB-CG1 4.28Å; A579-V644 HydrophobicContact CB-CG2 4Å; A579-M646 HydrophobicContact CB-CG 3.79Å; A579-M646 HydrophobicContact CB-SD 4.17Å
580F91.6Very high91.5Very high113 Ų11359.9 Ų59.950%0.49627%0.271SS..Hα-helixtrans-61.1-39.6175.8179.7-98.7000112.5C576 V578 K584C576-F580 VanDerWaalsContact O-CB 3.32Å; C576-F580 WeakPolarHBondContact O-CB 3.5Å; C576-F580 PolarHBondContact O-N 3.33Å; V578-F580 VanDerWaalsContact C-N 3.31Å; V578-F580 PolarHBondContact O-N 3.18Å; F580-K584 HydrophobicContact CE1-CD 4.35Å; F580-K584 VanDerWaalsContact CE1-NZ 3.35Å
581Y93Very high91.6Very high31 Ų3167.2 Ų67.212%0.12230%0.298CS..Hα-helixtrans-64.7-50.1173.5167.4-93.3000111.5Q520 D521 D577 V578 A579 H583 K584 Q585Q520-Y581 HydrophobicContact CG-CD2 3.83Å; Q520-Y581 HydrophobicContact CG-CE2 3.54Å; D521-Y581 PolarHBondContact OD1-OH 3.32Å; D521-Y581 VanDerWaalsContact OD2-CE2 3.3Å; D521-Y581 WeakPolarHBondContact OD2-CE2 3.17Å; D521-Y581 PolarHBondContact OD2-OH 3.03Å; D577-Y581 PolarHBondContact O-N 2.79Å; D577-Y581 VanDerWaalsContact O-N 3.08Å; V578-Y581 WeakPolarHBondContact O-CB 3.37Å; V578-Y581 PolarHBondContact O-N 2.75Å; V578-Y581 VanDerWaalsContact O-N 3.14Å; A579-Y581 VanDerWaalsContact C-N 3.31Å; A579-Y581 PolarHBondContact O-N 2.94Å; Y581-H583 VanDerWaalsContact C-N 3.34Å; Y581-H583 PolarHBondContact O-N 3.33Å; Y581-K584 WeakPolarHBondContact O-CB 3.38Å; Y581-K584 PolarHBondContact O-N 3.15Å; Y581-K584 VanDerWaalsContact O-N 3.07Å; Y581-Q585 HydrophobicContact CD1-CG 4.38Å; Y581-Q585 HydrophobicContact CE1-CG 3.9Å; Y581-Q585 VanDerWaalsContact CZ-NE2 3.31Å
582L92.2Very high91.9Very high8 Ų867.4 Ų67.44%0.04230%0.3CS..Hα-helixtrans-62.7-37-178.5-68178.1000112.4V578 A579 K584 Q585 M646 E650 L651V578-L582 HydrophobicContact CG1-CD1 3.9Å; V578-L582 HydrophobicContact CG1-CG 4.07Å; V578-L582 WeakPolarHBondContact O-CG 3.22Å; V578-L582 PolarHBondContact O-N 3.34Å; A579-L582 PolarHBondContact O-N 3.32Å; L582-K584 PolarHBondContact O-N 3.02Å; L582-K584 VanDerWaalsContact O-N 3.14Å; L582-Q585 WeakPolarHBondContact O-CB 3.26Å; L582-Q585 PolarHBondContact O-N 2.96Å; L582-M646 HydrophobicContact CD1-CE 4.07Å; L582-E650 HydrophobicContact CD1-CB 4.39Å; L582-E650 HydrophobicContact CD2-CB 4.32Å; L582-L651 HydrophobicContact CD1-CB 4.48Å
583H89.1Confident92.2Very high140 Ų14066.2 Ų66.265%0.64830%0.303SS*.THydrogen-bonded Turntrans-61.2-20.7175.2-78.5-51.5000114.1A579 Y581A579-H583 WeakPolarHBondContact O-CB 3.29Å; A579-H583 PolarHBondContact O-CD2 3.41Å; A579-H583 PolarHBondContact O-N 3.25Å; Y581-H583 VanDerWaalsContact C-N 3.34Å; Y581-H583 PolarHBondContact O-N 3.33Å
584K88.8Confident92.4Very high145 Ų14564.7 Ų64.763%0.6330%0.296SS*.THydrogen-bonded Turntrans-89.4-12.4174.4-65-178.4177.3-171.40113F580 Y581 L582F580-K584 HydrophobicContact CE1-CD 4.35Å; F580-K584 VanDerWaalsContact CE1-NZ 3.35Å; Y581-K584 WeakPolarHBondContact O-CB 3.38Å; Y581-K584 PolarHBondContact O-N 3.15Å; Y581-K584 VanDerWaalsContact O-N 3.07Å; L582-K584 PolarHBondContact O-N 3.02Å; L582-K584 VanDerWaalsContact O-N 3.14Å
585Q89.3Confident92.2Very high67 Ų6766.4 Ų66.431%0.31331%0.314SS..  trans-83.4147.9179.2-58.5-56-37.500110.4Y581 L582 Y587Y581-Q585 HydrophobicContact CD1-CG 4.38Å; Y581-Q585 HydrophobicContact CE1-CG 3.9Å; Y581-Q585 VanDerWaalsContact CZ-NE2 3.31Å; L582-Q585 WeakPolarHBondContact O-CB 3.26Å; L582-Q585 PolarHBondContact O-N 2.96Å; Q585-Y587 HydrophobicContact CB-CD2 4.31Å; Q585-Y587 HydrophobicContact CB-CE2 3.56Å; Q585-Y587 HydrophobicContact CG-CE2 4.45Å
586S89.9Confident92.1Very high117 Ų11771.4 Ų71.482%0.81835%0.347SS*.  trans-118.3126.1171.563.30000109.3
587Y91.6Very high92.1Very high40 Ų4072.3 Ų72.316%0.15735%0.347CS..  trans-117.3138-177.7-63.9-71.6000110.8Q585 I602 E650 Q653Q585-Y587 HydrophobicContact CB-CD2 4.31Å; Q585-Y587 HydrophobicContact CB-CE2 3.56Å; Q585-Y587 HydrophobicContact CG-CE2 4.45Å; Y587-I602 HydrophobicContact CD1-CD1 4.09Å; Y587-I602 HydrophobicContact CD1-CG2 3.87Å; Y587-I602 HydrophobicContact CD2-CD1 4.2Å; Y587-I602 HydrophobicContact CG-CD1 3.82Å; Y587-I602 HydrophobicContact CG-CG1 4.49Å; Y587-I602 HydrophobicContact CG-CG2 4.26Å; Y587-E650 HydrophobicContact CD2-CB 4.27Å; Y587-E650 HydrophobicContact CD2-CG 3.64Å; Y587-E650 HydrophobicContact CE2-CB 3.84Å; Y587-E650 HydrophobicContact CE2-CG 3.74Å; Y587-Q653 HydrophobicContact CD1-CG 4.34Å; Y587-Q653 HydrophobicContact CE1-CB 4.03Å; Y587-Q653 HydrophobicContact CE1-CG 3.85Å
588R93.3Very high92.1Very high136 Ų13679.4 Ų79.451%0.51337%0.373SS..  trans-88120.1174.8-64.6-178-68.8146.5-0.5108.7I602 A603 D609R588-I602 CarbonylContact O-C 3.34Å; R588-I602 WeakPolarHBondContact O-CA 3.43Å; R588-A603 HydrophobicContact CB-CB 4.38Å; R588-A603 PolarHBondContact O-N 3.02Å; R588-D609 IonicContact CZ-OD1 3.28Å; R588-D609 IonicContact NE-OD1 3.35Å; R588-D609 IonicContact NH2-OD1 3.85Å; R588-D609 PolarHBondContact NH2-OD1 3.27Å; R588-D609 IonicContact NH2-OD2 3.65Å; R588-D609 PolarHBondContact NH2-OD2 3.43Å
589Y94.8Very high92.2Very high101 Ų10180.3 Ų80.340%0.39638%0.378SS..EExtended strand (participates in β ladder)trans-96.2139.5178-74.3-95.7000111.4C601 I602 N647 E650Y589-C601 CarbonylContact C-O 3.41Å; Y589-C601 WeakPolarHBondContact CA-O 3.36Å; Y589-I602 HydrophobicContact CD1-CG1 4.1Å; Y589-I602 HydrophobicContact CE1-CD1 4.35Å; Y589-I602 HydrophobicContact CE1-CG1 3.63Å; Y589-I602 HydrophobicContact CE2-CG1 4.34Å; Y589-N647 PolarHBondContact OH-ND2 3.39Å; Y589-E650 PolarHBondContact OH-OE1 3.1Å
590R94.3Very high92.4Very high139 Ų13981.7 Ų81.753%0.52539%0.388SS..EExtended strand (participates in β ladder)trans-134139176.6-177.7177.7178.1-171.6-1.2109.8I592 C601 A603R590-I592 HydrophobicContact CG-CD1 4.06Å; R590-C601 PolarHBondContact N-O 2.62Å; R590-C601 PolarHBondContact O-N 3.46Å; R590-A603 HydrophobicContact CB-CB 4.27Å
591W95.7Very high92.6Very high153 Ų15376.3 Ų76.358%0.5836%0.364SS*.EExtended strand (participates in β ladder)trans-78125.9170.9-70.298.5000110R598 V599W591-R598 HydrophobicContact CE3-CG 3.82Å; W591-R598 HydrophobicContact CZ3-CG 4.42Å; W591-V599 WeakPolarHBondContact CA-O 3.17Å; W591-V599 VanDerWaalsContact CE3-C 3.44Å
592I95.2Very high92.7Very high5 Ų574.8 Ų74.83%0.02636%0.358CS..EExtended strand (participates in β ladder)trans-115.4126.6178.4-56.8-64.5000108.7R590 R598 V599 C601 I715 Q724R590-I592 HydrophobicContact CG-CD1 4.06Å; I592-R598 WeakPolarHBondContact O-CA 3.25Å; I592-V599 PolarHBondContact N-O 3.11Å; I592-V599 PolarHBondContact O-N 2.98Å; I592-C601 HydrophobicContact CG1-CB 4.01Å; I592-I715 HydrophobicContact CB-CG2 3.97Å; I592-I715 HydrophobicContact CG2-CG2 3.66Å; I592-Q724 HydrophobicContact CG2-CB 3.85Å; I592-Q724 HydrophobicContact CG2-CG 4.1Å
593D93.7Very high92.8Very high103 Ų10375.5 Ų75.555%0.55137%0.365SS*.EExtended strand (participates in β ladder)trans-97.9122173.1-63.5-43.5000108.5R598D593-R598 VanDerWaalsContact OD1-CB 3.23Å; D593-R598 WeakPolarHBondContact OD1-CB 3.43Å; D593-R598 WeakPolarHBondContact OD1-CD 3.42Å; D593-R598 WeakPolarHBondContact OD1-CG 3.47Å; D593-R598 IonicContact OD1-NE 3.98Å; D593-R598 PolarHBondContact OD1-NE 2.9Å
594F94.5Very high93Very high3 Ų369.8 Ų69.81%0.01334%0.338CS..EExtended strand (participates in β ladder)trans-143.7117.4178-168.5-106.1000110.3C596 K597 I715 I718 Q724 L727 S892 Y895 L896F594-C596 PolarHBondContact O-N 3.41Å; F594-K597 PolarHBondContact N-O 3.32Å; F594-K597 PolarHBondContact O-N 2.88Å; F594-K597 VanDerWaalsContact O-N 3.13Å; F594-I715 HydrophobicContact CB-CD1 4.22Å; F594-I715 HydrophobicContact CB-CG1 4.06Å; F594-I715 HydrophobicContact CB-CG2 4.37Å; F594-I715 HydrophobicContact CD1-CG1 4.28Å; F594-I718 HydrophobicContact CD1-CD1 3.83Å; F594-I718 HydrophobicContact CD2-CG2 4.4Å; F594-I718 HydrophobicContact CE1-CD1 3.39Å; F594-I718 HydrophobicContact CE2-CD1 4.31Å; F594-I718 HydrophobicContact CE2-CG2 4.31Å; F594-I718 HydrophobicContact CG-CD1 4.45Å; F594-I718 HydrophobicContact CZ-CD1 3.67Å; F594-Q724 HydrophobicContact CD2-CB 4.44Å; F594-L727 HydrophobicContact CE2-CB 3.87Å; F594-L727 HydrophobicContact CZ-CB 4.08Å; F594-S892 WeakPolarHBondContact CE1-O 3.37Å; F594-Y895 HydrophobicContact CD1-CD1 4.05Å; F594-Y895 HydrophobicContact CD2-CE1 4.29Å; F594-Y895 AromaticContact CE1-CD1 3.57Å; F594-Y895 HydrophobicContact CE1-CD1 3.57Å; F594-Y895 HydrophobicContact CE1-CE1 4.23Å; F594-Y895 HydrophobicContact CE2-CD1 4.08Å; F594-Y895 AromaticContact CE2-CE1 3.92Å; F594-Y895 HydrophobicContact CE2-CE1 3.92Å; F594-Y895 AromaticContact CZ-CD1 3.58Å; F594-Y895 HydrophobicContact CZ-CD1 3.58Å; F594-Y895 AromaticContact CZ-CE1 3.9Å; F594-Y895 HydrophobicContact CZ-CE1 3.9Å; F594-L896 HydrophobicContact CE1-CB 4.45Å; F594-L896 HydrophobicContact CZ-CB 4.43Å
595G88.8Confident93.2Very high39 Ų3965.3 Ų65.340%0.40232%0.321SS..THydrogen-bonded Turntrans60.5-123.4-170.600000111.6
596C87.5Confident93.4Very high104 Ų10462.4 Ų62.470%0.70331%0.308SS*.THydrogen-bonded Turntrans-96.98.1177.361.30000113.8F594F594-C596 PolarHBondContact O-N 3.41Å
597K92.8Very high93.5Very high61 Ų6161.2 Ų61.227%0.26529%0.288SS..EExtended strand (participates in β ladder)trans-113145.2-174.6-59-68.7173.4152.70110.9F594 D711 I715 D891F594-K597 PolarHBondContact N-O 3.32Å; F594-K597 PolarHBondContact O-N 2.88Å; F594-K597 VanDerWaalsContact O-N 3.13Å; K597-D711 HydrophobicContact CD-CB 4.34Å; K597-D711 WeakPolarHBondContact CE-OD2 3.49Å; K597-D711 HydrophobicContact CG-CB 4.18Å; K597-D711 IonicContact NZ-OD2 3.23Å; K597-D711 PolarHBondContact NZ-OD2 2.53Å; K597-I715 HydrophobicContact CB-CD1 3.67Å; K597-D891 WeakPolarHBondContact CE-OD2 3.22Å; K597-D891 IonicContact NZ-OD2 2.83Å; K597-D891 PolarHBondContact NZ-OD2 2.84Å
598R93.6Very high93.5Very high159 Ų15963.9 Ų63.960%0.631%0.308SS*.EExtended strand (participates in β ladder)trans-127.8121171.6-178.8168.9-160.1-168.5-0109W591 I592 D593W591-R598 HydrophobicContact CE3-CG 3.82Å; W591-R598 HydrophobicContact CZ3-CG 4.42Å; I592-R598 WeakPolarHBondContact O-CA 3.25Å; D593-R598 VanDerWaalsContact OD1-CB 3.23Å; D593-R598 WeakPolarHBondContact OD1-CB 3.43Å; D593-R598 WeakPolarHBondContact OD1-CD 3.42Å; D593-R598 WeakPolarHBondContact OD1-CG 3.47Å; D593-R598 IonicContact OD1-NE 3.98Å; D593-R598 PolarHBondContact OD1-NE 2.9Å
599V95Very high93.6Very high19 Ų1958.7 Ų58.712%0.11529%0.29CS..EExtended strand (participates in β ladder)trans-133.2153.7-178.7-62.40000111.4W591 I592 C601 H712 I715W591-V599 WeakPolarHBondContact CA-O 3.17Å; W591-V599 VanDerWaalsContact CE3-C 3.44Å; I592-V599 PolarHBondContact N-O 3.11Å; I592-V599 PolarHBondContact O-N 2.98Å; V599-C601 VanDerWaalsContact CG2-SG 3.59Å; V599-H712 HydrophobicContact CG1-CB 4.14Å; V599-I715 HydrophobicContact CG1-CD1 4.09Å; V599-I715 HydrophobicContact CG2-CB 3.56Å; V599-I715 HydrophobicContact CG2-CD1 3.69Å; V599-I715 HydrophobicContact CG2-CG1 4.24Å; V599-I715 HydrophobicContact CG2-CG2 3.32Å
600S95.8Very high93.5Very high32 Ų3258.2 Ų58.222%0.22429%0.292CS..EExtended strand (participates in β ladder)trans-93.4103.6177-1730000109.2H712S600-H712 PolarHBondContact O-NE2 2.68Å; S600-H712 VanDerWaalsContact O-NE2 3.09Å
601C95.7Very high93.5Very high0 Ų051.7 Ų51.70%027%0.268CS..EExtended strand (participates in β ladder)trans-98.8155.3-178.7-65.40000111.2Y589 R590 I592 V599 A603Y589-C601 CarbonylContact C-O 3.41Å; Y589-C601 WeakPolarHBondContact CA-O 3.36Å; R590-C601 PolarHBondContact N-O 2.62Å; R590-C601 PolarHBondContact O-N 3.46Å; I592-C601 HydrophobicContact CG1-CB 4.01Å; V599-C601 VanDerWaalsContact CG2-SG 3.59Å; C601-A603 PolarHBondContact O-N 3.31Å
602I95.6Very high93.4Very high0 Ų045 Ų450%024%0.244CC..EExtended strand (participates in β ladder)trans-73.9122.4164.6-65176000108.1Y587 R588 Y589 V649 E650 Q653 Q716Y587-I602 HydrophobicContact CD1-CD1 4.09Å; Y587-I602 HydrophobicContact CD1-CG2 3.87Å; Y587-I602 HydrophobicContact CD2-CD1 4.2Å; Y587-I602 HydrophobicContact CG-CD1 3.82Å; Y587-I602 HydrophobicContact CG-CG1 4.49Å; Y587-I602 HydrophobicContact CG-CG2 4.26Å; R588-I602 CarbonylContact O-C 3.34Å; R588-I602 WeakPolarHBondContact O-CA 3.43Å; Y589-I602 HydrophobicContact CD1-CG1 4.1Å; Y589-I602 HydrophobicContact CE1-CD1 4.35Å; Y589-I602 HydrophobicContact CE1-CG1 3.63Å; Y589-I602 HydrophobicContact CE2-CG1 4.34Å; I602-V649 HydrophobicContact CD1-CB 4.42Å; I602-V649 HydrophobicContact CD1-CG1 3.75Å; I602-V649 HydrophobicContact CG1-CG1 3.82Å; I602-E650 HydrophobicContact CD1-CB 4.45Å; I602-E650 HydrophobicContact CD1-CG 3.75Å; I602-Q653 HydrophobicContact CD1-CG 3.72Å; I602-Q653 HydrophobicContact CG2-CG 4.47Å; I602-Q716 PolarHBondContact O-NE2 3.37Å; I602-Q716 VanDerWaalsContact O-NE2 3.12Å
603A93.4Very high93.4Very high22 Ų2244.8 Ų44.818%0.18224%0.243CC..PPolyproline II helixtrans-70.2133.917500000110.1R588 R590 C601R588-A603 HydrophobicContact CB-CB 4.38Å; R588-A603 PolarHBondContact O-N 3.02Å; R590-A603 HydrophobicContact CB-CB 4.27Å; C601-A603 PolarHBondContact O-N 3.31Å
604Y95Very high93.4Very high21 Ų2140.1 Ų40.18%0.08222%0.218CC..  trans-135.8126.6175.5177-119.9000109.6D609 R657 V660Y604-D609 WeakPolarHBondContact CA-OD2 3.33Å; Y604-D609 HydrophobicContact CD2-CB 3.63Å; Y604-D609 HydrophobicContact CE2-CB 3.7Å; Y604-R657 HydrophobicContact CD1-CG 4.25Å; Y604-R657 HydrophobicContact CD2-CG 3.66Å; Y604-R657 HydrophobicContact CE1-CB 4.31Å; Y604-R657 HydrophobicContact CE1-CG 4.09Å; Y604-R657 HydrophobicContact CE2-CB 4.12Å; Y604-R657 HydrophobicContact CE2-CG 3.5Å; Y604-R657 VanDerWaalsContact CE2-CG 3.5Å; Y604-R657 HydrophobicContact CG-CG 4.04Å; Y604-V660 HydrophobicContact CD1-CB 4.44Å; Y604-V660 HydrophobicContact CD1-CG1 4.27Å; Y604-V660 HydrophobicContact CD1-CG2 4.43Å; Y604-V660 HydrophobicContact CE1-CB 3.86Å; Y604-V660 HydrophobicContact CE1-CG1 3.71Å; Y604-V660 HydrophobicContact CE1-CG2 4.32Å
605D92.6Very high93.5Very high51 Ų5140 Ų4027%0.27322%0.217SC..  trans-131.1111172.5-177.4-9.5000108.6K607 V608 D609D605-K607 PolarHBondContact O-N 3.06Å; D605-K607 WeakPolarHBondContact OD1-CB 3.05Å; D605-K607 WeakPolarHBondContact OD1-CE 3.47Å; D605-K607 VanDerWaalsContact OD1-CG 3.24Å; D605-K607 WeakPolarHBondContact OD1-CG 3.39Å; D605-K607 PolarHBondContact OD1-N 3.29Å; D605-K607 WeakPolarHBondContact OD2-CE 3.43Å; D605-K607 IonicContact OD2-NZ 3.61Å; D605-V608 PolarHBondContact O-N 3.16Å; D605-D609 PolarHBondContact N-OD2 2.91Å; D605-D609 WeakPolarHBondContact O-CB 3.13Å; D605-D609 PolarHBondContact O-N 3.25Å
606S93Very high93.8Very high5 Ų538.8 Ų38.84%0.03520%0.202CC..THydrogen-bonded Turntrans-58.9-15.9-179.261.10000113.8V526 R527 E664V526-S606 WeakPolarHBondContact CG1-O 3.21Å; R527-S606 WeakPolarHBondContact CB-O 3.14Å; R527-S606 PolarHBondContact N-O 2.84Å; R527-S606 PolarHBondContact NE-OG 3.23Å; S606-E664 VanDerWaalsContact CB-OE2 3.24Å; S606-E664 WeakPolarHBondContact CB-OE2 3.46Å; S606-E664 PolarHBondContact OG-OE1 3.32Å; S606-E664 PolarHBondContact OG-OE2 2.54Å; S606-E664 VanDerWaalsContact OG-OE2 3.1Å
607K92.2Very high94.2Very high92 Ų9234.1 Ų34.140%0.417%0.17SC..THydrogen-bonded Turntrans-76.4-21.1176.1-58174.4-76.7-172.70113.6V526 I529 D605V526-K607 WeakPolarHBondContact CG1-O 3.44Å; I529-K607 HydrophobicContact CD1-CB 3.92Å; I529-K607 HydrophobicContact CD1-CD 3.22Å; I529-K607 HydrophobicContact CD1-CG 3.41Å; I529-K607 VanDerWaalsContact CD1-CG 3.41Å; I529-K607 HydrophobicContact CG1-CD 4.3Å; I529-K607 HydrophobicContact CG1-CG 4.06Å; D605-K607 PolarHBondContact O-N 3.06Å; D605-K607 WeakPolarHBondContact OD1-CB 3.05Å; D605-K607 WeakPolarHBondContact OD1-CE 3.47Å; D605-K607 VanDerWaalsContact OD1-CG 3.24Å; D605-K607 WeakPolarHBondContact OD1-CG 3.39Å; D605-K607 PolarHBondContact OD1-N 3.29Å; D605-K607 WeakPolarHBondContact OD2-CE 3.43Å; D605-K607 IonicContact OD2-NZ 3.61Å
608V91.7Very high94.4Very high97 Ų9731.3 Ų31.359%0.58816%0.158SC*.THydrogen-bonded Turntrans-129.6-38.9-174-176.50000111.6D605D605-V608 PolarHBondContact O-N 3.16Å
609D94Very high94.5Very high26 Ų2624.3 Ų24.314%0.13913%0.132CC..SBendtrans-87.6128-177.6-59.9-57.4000110.8R588 Y604 D605R588-D609 IonicContact CZ-OD1 3.28Å; R588-D609 IonicContact NE-OD1 3.35Å; R588-D609 IonicContact NH2-OD1 3.85Å; R588-D609 PolarHBondContact NH2-OD1 3.27Å; R588-D609 IonicContact NH2-OD2 3.65Å; R588-D609 PolarHBondContact NH2-OD2 3.43Å; Y604-D609 WeakPolarHBondContact CA-OD2 3.33Å; Y604-D609 HydrophobicContact CD2-CB 3.63Å; Y604-D609 HydrophobicContact CE2-CB 3.7Å; D605-D609 PolarHBondContact N-OD2 2.91Å; D605-D609 WeakPolarHBondContact O-CB 3.13Å; D605-D609 PolarHBondContact O-N 3.25Å
610E92.9Very high94.5Very high92 Ų9223.5 Ų23.543%0.4313%0.127SC..  trans-67.7143.2177.8-64.2173.6150.500112.4K524 S525 V526 R657K524-E610 HydrophobicContact CB-CB 4.18Å; K524-E610 HydrophobicContact CB-CG 4.45Å; K524-E610 HydrophobicContact CD-CB 4.01Å; K524-E610 HydrophobicContact CD-CG 4.37Å; K524-E610 WeakPolarHBondContact CD-OE2 3.49Å; K524-E610 IonicContact NZ-OE2 3.96Å; K524-E610 PolarHBondContact NZ-OE2 3.18Å; K524-E610 VanDerWaalsContact NZ-OE2 3.14Å; S525-E610 WeakPolarHBondContact O-CA 3.36Å; V526-E610 HydrophobicContact CG2-CB 4.31Å; V526-E610 HydrophobicContact CG2-CG 3.6Å; E610-R657 PolarHBondContact O-NH1 2.91Å
611V94.6Very high94.4Very high2 Ų222.1 Ų22.11%0.01212%0.117CC..BIsolated β-bridgetrans-119.3136.5168.960.50000110.2K524 S525 R657 V658 C661 W670K524-V611 WeakPolarHBondContact CA-O 3.21Å; S525-V611 PolarHBondContact N-O 3.35Å; S525-V611 WeakPolarHBondContact O-CG1 3.43Å; S525-V611 PolarHBondContact O-N 3.41Å; V611-R657 HydrophobicContact CB-CB 4.29Å; V611-R657 HydrophobicContact CG2-CB 3.83Å; V611-V658 HydrophobicContact CG2-CG2 3.94Å; V611-C661 HydrophobicContact CG1-CB 4.13Å; V611-C661 HydrophobicContact CG2-CB 4.18Å; V611-W670 HydrophobicContact CG1-CH2 3.71Å; V611-W670 HydrophobicContact CG1-CZ2 4.25Å
612S94Very high94.3Very high12 Ų1222.1 Ų22.18%0.08412%0.117CC..  trans-124.1138.1168.8173.90000109.6D521 M522 F614 V658D521-S612 WeakPolarHBondContact CA-OG 3.3Å; M522-S612 WeakPolarHBondContact O-CB 3.1Å; M522-S612 PolarHBondContact O-OG 3.06Å; S612-F614 PolarHBondContact OG-N 2.89Å; S612-V658 WeakPolarHBondContact O-CG2 3.48Å
613F95Very high94.1Very high1 Ų122.2 Ų22.20%0.00412%0.118CC..SBendtrans-82.2-1.1173.7-76.4-110.5000112.7Y543 R619 V658 C661 Q680 F684 M693Y543-F613 WeakPolarHBondContact OH-CB 3.5Å; Y543-F613 WeakPolarHBondContact OH-CD1 3.5Å; Y543-F613 WeakPolarHBondContact OH-CG 3.37Å; F613-R619 VanDerWaalsContact O-CZ 3.26Å; F613-R619 PolarHBondContact O-NH1 3.4Å; F613-R619 PolarHBondContact O-NH2 3.03Å; F613-V658 HydrophobicContact CD1-CG1 3.6Å; F613-V658 HydrophobicContact CD1-CG2 4.36Å; F613-V658 HydrophobicContact CD2-CG2 4.39Å; F613-V658 HydrophobicContact CE1-CG1 3.58Å; F613-V658 HydrophobicContact CG-CG1 4.26Å; F613-V658 HydrophobicContact CG-CG2 4.19Å; F613-V658 HydrophobicContact CZ-CG1 4.17Å; F613-C661 HydrophobicContact CE2-CB 4.41Å; F613-C661 HydrophobicContact CZ-CB 4.37Å; F613-Q680 HydrophobicContact CD2-CB 4.32Å; F613-Q680 HydrophobicContact CE1-CB 4.33Å; F613-Q680 HydrophobicContact CE2-CB 4.03Å; F613-Q680 HydrophobicContact CZ-CB 4.03Å; F613-F684 HydrophobicContact CD1-CB 3.69Å; F613-F684 HydrophobicContact CD1-CD1 4.2Å; F613-F684 AromaticContact CD1-CD2 3.91Å; F613-F684 HydrophobicContact CD1-CD2 3.91Å; F613-F684 AromaticContact CD1-CG 3.69Å; F613-F684 HydrophobicContact CD1-CG 3.69Å; F613-F684 HydrophobicContact CE1-CB 3.83Å; F613-F684 HydrophobicContact CE1-CD1 4Å; F613-F684 AromaticContact CE1-CG 3.89Å; F613-F684 HydrophobicContact CE1-CG 3.89Å; F613-M693 WeakPolarHBondContact O-CE 3.42Å
614F94.7Very high94Very high4 Ų421.2 Ų21.22%0.01811%0.109CC..  trans-111.691.1-173.5-58.7-83.5000111.2M519 D521 M522 E523 A542 Y543 A546 S612 P616 M693M519-F614 WeakPolarHBondContact O-CB 3.35Å; D521-F614 PolarHBondContact N-O 2.94Å; M522-F614 HydrophobicContact CB-CB 4.2Å; M522-F614 HydrophobicContact CB-CD2 3.98Å; M522-F614 HydrophobicContact CB-CG 4.15Å; M522-F614 HydrophobicContact CE-CB 4.08Å; M522-F614 HydrophobicContact CE-CD1 3.64Å; M522-F614 HydrophobicContact CE-CD2 4.43Å; M522-F614 HydrophobicContact CE-CE1 4.18Å; M522-F614 HydrophobicContact CE-CG 3.79Å; M522-F614 WeakPolarHBondContact O-CD2 3.44Å; E523-F614 HydrophobicContact CB-CD2 4.39Å; E523-F614 HydrophobicContact CB-CE2 4.03Å; E523-F614 HydrophobicContact CG-CE2 4.3Å; A542-F614 HydrophobicContact CB-CE1 4.11Å; A542-F614 HydrophobicContact CB-CE2 3.88Å; A542-F614 HydrophobicContact CB-CZ 3.47Å; A542-F614 VanDerWaalsContact CB-CZ 3.47Å; A542-F614 WeakPolarHBondContact O-CE1 3.06Å; Y543-F614 HydrophobicContact CD1-CZ 4.31Å; Y543-F614 AromaticContact CD2-CZ 3.97Å; Y543-F614 HydrophobicContact CD2-CZ 3.97Å; Y543-F614 HydrophobicContact CE1-CZ 4.31Å; Y543-F614 HydrophobicContact CE2-CE2 4.37Å; Y543-F614 AromaticContact CE2-CZ 3.92Å; Y543-F614 HydrophobicContact CE2-CZ 3.92Å; Y543-F614 HydrophobicContact CG-CZ 4.16Å; A546-F614 HydrophobicContact CB-CD1 4.37Å; A546-F614 HydrophobicContact CB-CE1 3.97Å; S612-F614 PolarHBondContact OG-N 2.89Å; F614-P616 WeakPolarHBondContact O-CD 3.23Å; F614-M693 HydrophobicContact CD1-CE 4.49Å; F614-M693 HydrophobicContact CE1-CE 4.41Å
615S95.9Very high93.6Very high1 Ų120.5 Ų20.51%0.00711%0.106CC..  trans-12352.8-179.453.40000113.1L617 Q618 R619S615-L617 PolarHBondContact O-N 3.24Å; S615-L617 VanDerWaalsContact O-N 3.16Å; S615-Q618 PolarHBondContact O-N 3.29Å; S615-Q618 PolarHBondContact O-OE1 2.9Å; S615-R619 WeakPolarHBondContact O-CG 3.47Å; S615-R619 PolarHBondContact O-N 3.32Å; S615-R619 VanDerWaalsContact O-N 3.11Å; S615-R619 PolarHBondContact OG-NE 3.37Å; S615-R619 PolarHBondContact OG-NH2 3.23Å
616P95.4Very high93.3Very high13 Ų1319.7 Ų19.78%0.08410%0.102CC..Hα-helixtrans-58.9-31.2-172.825.8-35.6000113.3L516 M519 F614 R619 M620L516-P616 HydrophobicContact CB-CB 4.33Å; L516-P616 HydrophobicContact CB-CG 4.32Å; L516-P616 HydrophobicContact CD2-CB 4.07Å; L516-P616 WeakPolarHBondContact O-CG 3.49Å; M519-P616 HydrophobicContact CB-CG 3.88Å; F614-P616 WeakPolarHBondContact O-CD 3.23Å; P616-R619 PolarHBondContact O-N 3.11Å; P616-M620 WeakPolarHBondContact O-CB 3.45Å; P616-M620 VanDerWaalsContact O-CG 3.26Å; P616-M620 WeakPolarHBondContact O-CG 3.36Å; P616-M620 PolarHBondContact O-N 3.48Å
617L96.1Very high92.5Very high6 Ų621.5 Ų21.53%0.03111%0.111CC..Hα-helixtrans-65.2-48.2-179.3-60.4178.6000111.7L516 K517 Q520 V578 S615 R619 M620 L621L516-L617 HydrophobicContact CB-CD2 3.97Å; K517-L617 HydrophobicContact CG-CD1 4.07Å; K517-L617 HydrophobicContact CG-CD2 4.21Å; Q520-L617 HydrophobicContact CB-CD1 4.24Å; Q520-L617 HydrophobicContact CB-CG 4.49Å; Q520-L617 HydrophobicContact CG-CD1 4.06Å; V578-L617 HydrophobicContact CG2-CB 4.03Å; V578-L617 WeakPolarHBondContact CG2-O 3.41Å; S615-L617 PolarHBondContact O-N 3.24Å; S615-L617 VanDerWaalsContact O-N 3.16Å; L617-R619 VanDerWaalsContact C-N 3.33Å; L617-M620 PolarHBondContact O-N 2.87Å; L617-L621 PolarHBondContact O-N 2.93Å; L617-L621 VanDerWaalsContact O-N 3.1Å
618Q96.3Very high91.3Very high2 Ų218.8 Ų18.81%0.00910%0.101CC..Hα-helixtrans-66-37.3176.8-65.784.3-9.500111.4Q520 V578 S615 L621 A622 L651 L700Q520-Q618 VanDerWaalsContact NE2-OE1 3.16Å; V578-Q618 HydrophobicContact CG1-CG 4.06Å; V578-Q618 HydrophobicContact CG2-CG 4.45Å; S615-Q618 PolarHBondContact O-N 3.29Å; S615-Q618 PolarHBondContact O-OE1 2.9Å; Q618-L621 WeakPolarHBondContact O-CB 3.3Å; Q618-L621 PolarHBondContact O-N 3.48Å; Q618-A622 PolarHBondContact O-N 3.37Å; Q618-L651 HydrophobicContact CG-CD1 4.3Å; Q618-L700 HydrophobicContact CB-CD2 3.88Å; Q618-L700 HydrophobicContact CG-CD2 4.46Å
619R96Very high89.7Confident13 Ų1319.6 Ų19.65%0.04911%0.108CC..Hα-helixtrans-68.4-39178.5-66.8177.7-179.1149.73.6112.5F613 S615 P616 L617 A622 G623 E692 R696 D697F613-R619 VanDerWaalsContact O-CZ 3.26Å; F613-R619 PolarHBondContact O-NH1 3.4Å; F613-R619 PolarHBondContact O-NH2 3.03Å; S615-R619 WeakPolarHBondContact O-CG 3.47Å; S615-R619 PolarHBondContact O-N 3.32Å; S615-R619 VanDerWaalsContact O-N 3.11Å; S615-R619 PolarHBondContact OG-NE 3.37Å; S615-R619 PolarHBondContact OG-NH2 3.23Å; P616-R619 PolarHBondContact O-N 3.11Å; L617-R619 VanDerWaalsContact C-N 3.33Å; R619-A622 PolarHBondContact O-N 3.03Å; R619-G623 PolarHBondContact O-N 3.37Å; R619-E692 VanDerWaalsContact CD-O 3.27Å; R619-E692 WeakPolarHBondContact CD-O 3.28Å; R619-R696 HydrophobicContact CB-CB 3.82Å; R619-R696 HydrophobicContact CB-CG 4.18Å; R619-R696 HydrophobicContact CG-CB 3.71Å; R619-D697 IonicContact CZ-OD1 3.22Å; R619-D697 IonicContact CZ-OD2 3.18Å; R619-D697 IonicContact NE-OD1 3.55Å; R619-D697 PolarHBondContact NE-OD1 3.48Å; R619-D697 IonicContact NE-OD2 2.78Å; R619-D697 IonicContact NH2-OD1 3.14Å; R619-D697 PolarHBondContact NH2-OD1 2.94Å; R619-D697 IonicContact NH2-OD2 3.43Å; R619-D697 PolarHBondContact NH2-OD2 3.33Å
620M95Very high87.5Confident1 Ų119.4 Ų19.41%0.00511%0.107CC..Hα-helixtrans-63.2-42.3171.6-73.3-49.4-57.100111.8Y509 L516 L553 I556 H557 P616 L617 G623 F624Y509-M620 HydrophobicContact CE2-CE 4.09Å; L516-M620 HydrophobicContact CD1-CG 3.74Å; L553-M620 HydrophobicContact CB-SD 4.42Å; L553-M620 HydrophobicContact CD1-SD 4.22Å; L553-M620 HydrophobicContact CD2-SD 3.76Å; L553-M620 HydrophobicContact CG-SD 4.34Å; I556-M620 HydrophobicContact CG2-CE 4.21Å; H557-M620 VanDerWaalsContact NE2-CE 3.33Å; H557-M620 WeakPolarHBondContact NE2-CE 3.15Å; P616-M620 WeakPolarHBondContact O-CB 3.45Å; P616-M620 VanDerWaalsContact O-CG 3.26Å; P616-M620 WeakPolarHBondContact O-CG 3.36Å; P616-M620 PolarHBondContact O-N 3.48Å; L617-M620 PolarHBondContact O-N 2.87Å; M620-G623 PolarHBondContact O-N 3.06Å; M620-F624 HydrophobicContact CB-CE2 4.32Å; M620-F624 HydrophobicContact CE-CD2 4.32Å; M620-F624 HydrophobicContact CE-CE1 4.11Å; M620-F624 HydrophobicContact CE-CE2 3.44Å; M620-F624 VanDerWaalsContact CE-CE2 3.44Å; M620-F624 HydrophobicContact CE-CZ 3.31Å; M620-F624 WeakPolarHBondContact O-CD2 3.44Å; M620-F624 PolarHBondContact O-N 3.43Å
621L93.7Very high85Confident4 Ų419.2 Ų19.22%0.02112%0.115CC..Hα-helixtrans-58.6-48.1173.5172.761.7000111L571 A574 A575 V578 L617 Q618 G623 F624 Y625 M646 L651L571-L621 HydrophobicContact CD1-CD1 3.62Å; A574-L621 HydrophobicContact CB-CB 4.19Å; A574-L621 HydrophobicContact CB-CD1 4.34Å; A575-L621 HydrophobicContact CB-CD1 4.09Å; V578-L621 HydrophobicContact CB-CD2 4.1Å; V578-L621 HydrophobicContact CG1-CD2 4.26Å; V578-L621 HydrophobicContact CG2-CB 4.01Å; V578-L621 HydrophobicContact CG2-CD2 3.92Å; L617-L621 PolarHBondContact O-N 2.93Å; L617-L621 VanDerWaalsContact O-N 3.1Å; Q618-L621 WeakPolarHBondContact O-CB 3.3Å; Q618-L621 PolarHBondContact O-N 3.48Å; L621-G623 VanDerWaalsContact C-N 3.33Å; L621-G623 PolarHBondContact O-N 3.46Å; L621-F624 PolarHBondContact O-N 3.02Å; L621-Y625 WeakPolarHBondContact O-CB 3.39Å; L621-Y625 PolarHBondContact O-N 3.29Å; L621-M646 HydrophobicContact CD2-CE 3.82Å; L621-L651 HydrophobicContact CD2-CD1 3.94Å
622A93.2Very high82.7Confident0 Ų028.1 Ų28.10%016%0.156CC..Hα-helixtrans-60-42.517700000111.9Q618 R619 Y625 L699 L700 I703Q618-A622 PolarHBondContact O-N 3.37Å; R619-A622 PolarHBondContact O-N 3.03Å; A622-Y625 VanDerWaalsContact O-CB 3.31Å; A622-Y625 WeakPolarHBondContact O-CB 3.45Å; A622-Y625 PolarHBondContact O-N 3.1Å; A622-L699 HydrophobicContact CB-CD2 3.99Å; A622-L699 HydrophobicContact CB-CG 4.15Å; A622-L699 VanDerWaalsContact O-CD2 3.28Å; A622-L699 WeakPolarHBondContact O-CD2 3.17Å; A622-L700 HydrophobicContact CB-CB 4.48Å; A622-L700 HydrophobicContact CB-CD1 4.3Å; A622-I703 HydrophobicContact CB-CD1 4.11Å
623G92.1Very high80.6Confident2 Ų230.4 Ų30.42%0.02117%0.17CC..Hα-helixtrans-63.7-47.2177.500000113.6R619 M620 L621 Y625 L626R619-G623 PolarHBondContact O-N 3.37Å; M620-G623 PolarHBondContact O-N 3.06Å; L621-G623 VanDerWaalsContact C-N 3.33Å; L621-G623 PolarHBondContact O-N 3.46Å; G623-Y625 PolarHBondContact O-N 2.96Å; G623-L626 PolarHBondContact O-N 2.91Å
624F90.9Very high78.4Confident0 Ų034.7 Ų34.70%020%0.197CC..Hα-helixtrans-68.5-23.6176.2-66.1-47.3000113.6Y509 I556 H557 A560 L570 L571 A574 M620 L621 L626 N627Y509-F624 HydrophobicContact CD2-CZ 4.26Å; Y509-F624 HydrophobicContact CE1-CE2 4.44Å; Y509-F624 AromaticContact CE2-CE2 3.65Å; Y509-F624 HydrophobicContact CE2-CE2 3.65Å; Y509-F624 AromaticContact CE2-CZ 3.76Å; Y509-F624 HydrophobicContact CE2-CZ 3.76Å; Y509-F624 AromaticContact CZ-CE2 3.61Å; Y509-F624 WeakPolarHBondContact OH-CE2 3.19Å; I556-F624 HydrophobicContact CG2-CE1 4.22Å; I556-F624 HydrophobicContact CG2-CZ 3.87Å; H557-F624 AromaticContact CD2-CD1 3.86Å; H557-F624 AromaticContact CD2-CE1 3.76Å; A560-F624 HydrophobicContact CB-CD1 3.93Å; A560-F624 HydrophobicContact CB-CE1 3.59Å; L570-F624 HydrophobicContact CB-CD1 4.3Å; L570-F624 HydrophobicContact CB-CD2 4.26Å; L570-F624 HydrophobicContact CB-CE1 4.11Å; L570-F624 HydrophobicContact CB-CE2 4.04Å; L570-F624 HydrophobicContact CB-CG 4.39Å; L570-F624 HydrophobicContact CB-CZ 3.96Å; L570-F624 HydrophobicContact CD1-CE1 3.9Å; L570-F624 HydrophobicContact CD1-CZ 3.8Å; L571-F624 HydrophobicContact CB-CB 4.09Å; L571-F624 HydrophobicContact CD1-CB 3.77Å; A574-F624 HydrophobicContact CB-CD2 3.88Å; A574-F624 HydrophobicContact CB-CE2 4.38Å; M620-F624 HydrophobicContact CB-CE2 4.32Å; M620-F624 HydrophobicContact CE-CD2 4.32Å; M620-F624 HydrophobicContact CE-CE1 4.11Å; M620-F624 HydrophobicContact CE-CE2 3.44Å; M620-F624 VanDerWaalsContact CE-CE2 3.44Å; M620-F624 HydrophobicContact CE-CZ 3.31Å; M620-F624 WeakPolarHBondContact O-CD2 3.44Å; M620-F624 PolarHBondContact O-N 3.43Å; L621-F624 PolarHBondContact O-N 3.02Å; F624-L626 PolarHBondContact O-N 3.12Å; F624-N627 WeakPolarHBondContact O-CB 3.2Å; F624-N627 PolarHBondContact O-N 2.97Å
625Y87Confident76.1Confident6 Ų638.7 Ų38.72%0.02422%0.215CC..Hα-helixtrans-59.5-31.7178.2-166.4-100.8000112.1L621 A622 G623 N627 L630 W638 I703 L880 F881L621-Y625 WeakPolarHBondContact O-CB 3.39Å; L621-Y625 PolarHBondContact O-N 3.29Å; A622-Y625 VanDerWaalsContact O-CB 3.31Å; A622-Y625 WeakPolarHBondContact O-CB 3.45Å; A622-Y625 PolarHBondContact O-N 3.1Å; G623-Y625 PolarHBondContact O-N 2.96Å; Y625-N627 VanDerWaalsContact C-N 3.31Å; Y625-N627 PolarHBondContact O-N 3.18Å; Y625-L630 HydrophobicContact CE2-CD1 4.12Å; Y625-W638 HydrophobicContact CD2-CH2 4.38Å; Y625-W638 HydrophobicContact CD2-CZ2 4.2Å; Y625-W638 AromaticContact CE2-CH2 3.95Å; Y625-W638 HydrophobicContact CE2-CH2 3.95Å; Y625-W638 AromaticContact CE2-CZ2 3.35Å; Y625-W638 HydrophobicContact CE2-CZ2 3.35Å; Y625-W638 AromaticContact CZ-CZ2 3.97Å; Y625-I703 HydrophobicContact CD1-CD1 3.51Å; Y625-I703 HydrophobicContact CD1-CG1 3.57Å; Y625-I703 HydrophobicContact CD1-CG2 4.45Å; Y625-I703 HydrophobicContact CE1-CD1 4.19Å; Y625-I703 HydrophobicContact CE1-CG1 3.76Å; Y625-I703 HydrophobicContact CE1-CG2 4.15Å; Y625-I703 HydrophobicContact CE2-CG2 4.44Å; Y625-I703 HydrophobicContact CG-CD1 3.7Å; Y625-I703 HydrophobicContact CG-CG1 4.2Å; Y625-L880 HydrophobicContact CD1-CD2 4.1Å; Y625-L880 HydrophobicContact CE1-CD1 4.44Å; Y625-L880 HydrophobicContact CE1-CD2 3.44Å; Y625-L880 VanDerWaalsContact CE1-CD2 3.44Å; Y625-L880 HydrophobicContact CE1-CG 3.99Å; Y625-F881 HydrophobicContact CD1-CZ 4.13Å; Y625-F881 HydrophobicContact CE1-CE2 4.39Å; Y625-F881 HydrophobicContact CE1-CZ 4.09Å
626L85.9Confident74Confident35 Ų3545.3 Ų45.318%0.18325%0.25CS..THydrogen-bonded Turntrans-74.2-17.1177.1-61.4-179.9000114G623 F624 I628 L699 V765 F881G623-L626 PolarHBondContact O-N 2.91Å; F624-L626 PolarHBondContact O-N 3.12Å; L626-I628 VanDerWaalsContact C-N 3.34Å; L626-I628 PolarHBondContact O-N 3.29Å; L626-L699 HydrophobicContact CD1-CD1 4.4Å; L626-L699 HydrophobicContact CD1-CD2 3.63Å; L626-L699 HydrophobicContact CD2-CD1 3.86Å; L626-L699 HydrophobicContact CD2-CD2 4.35Å; L626-L699 HydrophobicContact CG-CD1 4.32Å; L626-L699 HydrophobicContact CG-CD2 3.89Å; L626-V765 HydrophobicContact CD2-CG2 3.74Å; L626-F881 HydrophobicContact CD2-CE2 3.96Å; L626-F881 HydrophobicContact CD2-CZ 4.11Å
627N76.7Confident72.2Confident42 Ų4246.4 Ų46.423%0.22526%0.257CS..THydrogen-bonded Turntrans-83.9-3.7-174.1-72.1-20.1000114H557 S561 A567 F624 Y625H557-N627 PolarHBondContact O-ND2 3.38Å; S561-N627 WeakPolarHBondContact CB-OD1 3.29Å; A567-N627 HydrophobicContact CB-CB 4.07Å; F624-N627 WeakPolarHBondContact O-CB 3.2Å; F624-N627 PolarHBondContact O-N 2.97Å; Y625-N627 VanDerWaalsContact C-N 3.31Å; Y625-N627 PolarHBondContact O-N 3.18Å
628I67.3Low70.6Confident36 Ų3647.1 Ų47.119%0.18526%0.259CS..SBendtrans-108.7129.7178.7-49.9-166.4000110.3L571 L626 L630L571-I628 HydrophobicContact CB-CD1 4.17Å; L571-I628 HydrophobicContact CD2-CD1 3.19Å; L571-I628 HydrophobicContact CD2-CG1 3.89Å; L571-I628 HydrophobicContact CG-CD1 4.27Å; L626-I628 VanDerWaalsContact C-N 3.34Å; L626-I628 PolarHBondContact O-N 3.29Å; I628-L630 HydrophobicContact CB-CD1 4.48Å; I628-L630 HydrophobicContact CB-CG 3.94Å; I628-L630 HydrophobicContact CG2-CB 4.43Å; I628-L630 HydrophobicContact CG2-CD2 4Å; I628-L630 HydrophobicContact CG2-CG 3.64Å; I628-L630 PolarHBondContact O-N 3.38Å
629P56.4Low69.1Low113 Ų11352.7 Ų52.773%0.73428%0.283SS*.  trans-71.176.6156.229.7-29.2000108.5C631P629-C631 PolarHBondContact O-N 3.42Å
630L47.9Very low67.6Low22 Ų2257.3 Ų57.312%0.11531%0.313CS..  trans-7352.2166.8-75.7166.7000108.8Y625 I628 E632 V633 L641 L880Y625-L630 HydrophobicContact CE2-CD1 4.12Å; I628-L630 HydrophobicContact CB-CD1 4.48Å; I628-L630 HydrophobicContact CB-CG 3.94Å; I628-L630 HydrophobicContact CG2-CB 4.43Å; I628-L630 HydrophobicContact CG2-CD2 4Å; I628-L630 HydrophobicContact CG2-CG 3.64Å; I628-L630 PolarHBondContact O-N 3.38Å; L630-E632 PolarHBondContact O-N 2.94Å; L630-V633 HydrophobicContact CD2-CB 4.4Å; L630-V633 HydrophobicContact CD2-CG2 4.3Å; L630-L641 HydrophobicContact CD2-CD1 4.26Å; L630-L641 HydrophobicContact CD2-CD2 4.2Å; L630-L880 HydrophobicContact CB-CD1 4.15Å
631C40.5Very low66.2Low89 Ų8960 Ų6060%0.60133%0.327SS*.THydrogen-bonded Turntrans-74.1116.8163.4-65.60000105.1P629P629-C631 PolarHBondContact O-N 3.42Å
632E46.4Very low65.2Low188 Ų18860.3 Ų60.388%0.87933%0.328SS*.THydrogen-bonded Turntrans9724.3169.3-50.2179.4-179.300119.3L630L630-E632 PolarHBondContact O-N 2.94Å
633V49.8Very low64.2Low61 Ų6162.7 Ų62.737%0.3735%0.353SS..  trans-125.1112.2176.7-165.80000114.8L630 T637 L641L630-V633 HydrophobicContact CD2-CB 4.4Å; L630-V633 HydrophobicContact CD2-CG2 4.3Å; V633-T637 HydrophobicContact CG1-CG2 3.34Å; V633-T637 VanDerWaalsContact CG1-OG1 3.24Å; V633-T637 WeakPolarHBondContact CG1-OG1 3.49Å; V633-L641 HydrophobicContact CB-CD1 4.14Å; V633-L641 HydrophobicContact CG1-CD1 3.45Å; V633-L641 VanDerWaalsContact CG1-CD1 3.45Å; V633-L641 HydrophobicContact CG1-CD2 4.48Å; V633-L641 HydrophobicContact CG1-CG 4.07Å
634P49.1Very low63.6Low90 Ų9064.2 Ų64.258%0.58436%0.362SS*.  trans-67.4162.7177.7-20.731.7000115.5N636 T637P634-N636 PolarHBondContact O-N 3.25Å; P634-T637 WeakPolarHBondContact O-CA 3.46Å; P634-T637 WeakPolarHBondContact O-CB 3.39Å; P634-T637 PolarHBondContact O-N 3.05Å; P634-T637 PolarHBondContact O-OG1 3.14Å
635F46.3Very low63Low88 Ų8870.3 Ų70.339%0.38639%0.39SS..G310 helixtrans-51.8-42.5179.5-178.7-105.2000115.2T637 W638 P648 L707F635-T637 PolarHBondContact O-N 3.45Å; F635-W638 PolarHBondContact O-N 3.35Å; F635-P648 HydrophobicContact CE2-CG 3.65Å; F635-P648 HydrophobicContact CZ-CG 3.73Å; F635-L707 HydrophobicContact CD2-CB 3.84Å; F635-L707 HydrophobicContact CD2-CD2 3.63Å; F635-L707 HydrophobicContact CD2-CG 4.21Å; F635-L707 HydrophobicContact CE2-CB 3.74Å; F635-L707 HydrophobicContact CE2-CD1 4.46Å; F635-L707 HydrophobicContact CE2-CD2 4.12Å; F635-L707 HydrophobicContact CE2-CG 4.28Å
636N52.3Low62.9Low140 Ų14071 Ų7175%0.74939%0.394SS*.G310 helixtrans-60-14178.1-61.3-8.4000112.6P634P634-N636 PolarHBondContact O-N 3.25Å
637T57.3Low62.9Low36 Ų3671.8 Ų71.822%0.22140%0.399CS..G310 helixtrans-89.4-7.6176.5-21.70000112.8V633 P634 F635 K639 T640 L641V633-T637 HydrophobicContact CG1-CG2 3.34Å; V633-T637 VanDerWaalsContact CG1-OG1 3.24Å; V633-T637 WeakPolarHBondContact CG1-OG1 3.49Å; P634-T637 WeakPolarHBondContact O-CA 3.46Å; P634-T637 WeakPolarHBondContact O-CB 3.39Å; P634-T637 PolarHBondContact O-N 3.05Å; P634-T637 PolarHBondContact O-OG1 3.14Å; F635-T637 PolarHBondContact O-N 3.45Å; T637-K639 VanDerWaalsContact C-N 3.31Å; T637-K639 PolarHBondContact O-N 2.83Å; T637-T640 HydrophobicContact CG2-CG2 3.97Å; T637-T640 CarbonylContact O-C 3.58Å; T637-T640 WeakPolarHBondContact O-CA 3.14Å; T637-T640 WeakPolarHBondContact O-CB 3.36Å; T637-T640 PolarHBondContact O-N 2.98Å; T637-L641 HydrophobicContact CG2-CD1 4.39Å; T637-L641 HydrophobicContact CG2-CG 4.18Å; T637-L641 WeakPolarHBondContact O-CB 3.41Å; T637-L641 WeakPolarHBondContact O-CD1 3.25Å; T637-L641 WeakPolarHBondContact O-CG 3.45Å; T637-L641 PolarHBondContact O-N 3.43Å
638W63Low63.6Low22 Ų2270.3 Ų70.38%0.08339%0.392CS..Hα-helixtrans-58.8-44.5175-89.451.8000111.7Y625 F635 T640 L641 F642 I703 L707Y625-W638 HydrophobicContact CD2-CH2 4.38Å; Y625-W638 HydrophobicContact CD2-CZ2 4.2Å; Y625-W638 AromaticContact CE2-CH2 3.95Å; Y625-W638 HydrophobicContact CE2-CH2 3.95Å; Y625-W638 AromaticContact CE2-CZ2 3.35Å; Y625-W638 HydrophobicContact CE2-CZ2 3.35Å; Y625-W638 AromaticContact CZ-CZ2 3.97Å; F635-W638 PolarHBondContact O-N 3.35Å; W638-T640 PolarHBondContact O-N 2.81Å; W638-L641 PolarHBondContact O-N 3.21Å; W638-F642 HydrophobicContact CB-CD2 4.25Å; W638-F642 HydrophobicContact CB-CE2 4.48Å; W638-F642 HydrophobicContact CD2-CD2 4.11Å; W638-F642 AromaticContact CD2-CE2 3.71Å; W638-F642 HydrophobicContact CD2-CE2 3.71Å; W638-F642 AromaticContact CE3-CD2 3.98Å; W638-F642 HydrophobicContact CE3-CD2 3.98Å; W638-F642 AromaticContact CE3-CE2 3.82Å; W638-F642 HydrophobicContact CE3-CE2 3.82Å; W638-F642 HydrophobicContact CG-CD2 4.25Å; W638-F642 HydrophobicContact CG-CE2 4.01Å; W638-F642 HydrophobicContact CZ3-CE2 4.34Å; W638-F642 WeakPolarHBondContact O-CB 3.21Å; W638-F642 WeakPolarHBondContact O-CD2 3.46Å; W638-F642 PolarHBondContact O-N 2.98Å; W638-I703 HydrophobicContact CH2-CG2 4.32Å; W638-I703 HydrophobicContact CZ2-CG2 4.45Å; W638-L707 HydrophobicContact CH2-CD1 3.58Å; W638-L707 HydrophobicContact CZ2-CD1 3.45Å; W638-L707 VanDerWaalsContact CZ2-CD1 3.45Å; W638-L707 HydrophobicContact CZ2-CD2 3.65Å; W638-L707 HydrophobicContact CZ2-CG 4.18Å; W638-L707 HydrophobicContact CZ3-CD1 4.27Å
639K65Low64.8Low118 Ų11868.9 Ų68.951%0.51338%0.384SS..Hα-helixtrans-58.6-36.3170.7-172170-176.1162.20111.9T637 G643 V644 E645T637-K639 VanDerWaalsContact C-N 3.31Å; T637-K639 PolarHBondContact O-N 2.83Å; K639-G643 WeakPolarHBondContact O-CA 3.28Å; K639-G643 PolarHBondContact O-N 3.16Å; K639-V644 WeakPolarHBondContact CA-O 3.36Å; K639-E645 IonicContact NZ-OE2 3.47Å; K639-E645 PolarHBondContact NZ-OE2 3.49Å
640T64.5Low66.6Low111 Ų11165.6 Ų65.668%0.68136%0.359SS*.Hα-helixtrans-77.1-36179-51.20000112.9T637 W638T637-T640 HydrophobicContact CG2-CG2 3.97Å; T637-T640 CarbonylContact O-C 3.58Å; T637-T640 WeakPolarHBondContact O-CA 3.14Å; T637-T640 WeakPolarHBondContact O-CB 3.36Å; T637-T640 PolarHBondContact O-N 2.98Å; W638-T640 PolarHBondContact O-N 2.81Å
641L65.2Low68.7Low58 Ų5864.7 Ų64.730%0.30435%0.354SS..Hα-helixtrans-76.2-46.5-177.8-85.3157.3000110.8L630 V633 T637 W638L630-L641 HydrophobicContact CD2-CD1 4.26Å; L630-L641 HydrophobicContact CD2-CD2 4.2Å; V633-L641 HydrophobicContact CB-CD1 4.14Å; V633-L641 HydrophobicContact CG1-CD1 3.45Å; V633-L641 VanDerWaalsContact CG1-CD1 3.45Å; V633-L641 HydrophobicContact CG1-CD2 4.48Å; V633-L641 HydrophobicContact CG1-CG 4.07Å; T637-L641 HydrophobicContact CG2-CD1 4.39Å; T637-L641 HydrophobicContact CG2-CG 4.18Å; T637-L641 WeakPolarHBondContact O-CB 3.41Å; T637-L641 WeakPolarHBondContact O-CD1 3.25Å; T637-L641 WeakPolarHBondContact O-CG 3.45Å; T637-L641 PolarHBondContact O-N 3.43Å; W638-L641 PolarHBondContact O-N 3.21Å
642F72.6Confident71.3Confident9 Ų960.4 Ų60.44%0.03933%0.326CS..Hα-helixtrans-104.2-23.8-172.5-54.3-53.7000113.1L571 R572 A575 W638 V644L571-F642 HydrophobicContact CB-CE1 4.49Å; L571-F642 HydrophobicContact CD2-CE1 3.6Å; L571-F642 HydrophobicContact CD2-CZ 3.57Å; L571-F642 HydrophobicContact CG-CE1 3.65Å; L571-F642 HydrophobicContact CG-CZ 3.92Å; R572-F642 HydrophobicContact CB-CD1 4.15Å; R572-F642 HydrophobicContact CG-CD1 4.43Å; R572-F642 PolarHBondContact NE-O 3.44Å; R572-F642 VanDerWaalsContact NE-O 3.13Å; A575-F642 HydrophobicContact CB-CB 4.09Å; A575-F642 HydrophobicContact CB-CD1 4.22Å; A575-F642 HydrophobicContact CB-CD2 4.27Å; A575-F642 HydrophobicContact CB-CG 3.93Å; W638-F642 HydrophobicContact CB-CD2 4.25Å; W638-F642 HydrophobicContact CB-CE2 4.48Å; W638-F642 HydrophobicContact CD2-CD2 4.11Å; W638-F642 AromaticContact CD2-CE2 3.71Å; W638-F642 HydrophobicContact CD2-CE2 3.71Å; W638-F642 AromaticContact CE3-CD2 3.98Å; W638-F642 HydrophobicContact CE3-CD2 3.98Å; W638-F642 AromaticContact CE3-CE2 3.82Å; W638-F642 HydrophobicContact CE3-CE2 3.82Å; W638-F642 HydrophobicContact CG-CD2 4.25Å; W638-F642 HydrophobicContact CG-CE2 4.01Å; W638-F642 HydrophobicContact CZ3-CE2 4.34Å; W638-F642 WeakPolarHBondContact O-CB 3.21Å; W638-F642 WeakPolarHBondContact O-CD2 3.46Å; W638-F642 PolarHBondContact O-N 2.98Å; F642-V644 VanDerWaalsContact C-N 3.32Å; F642-V644 HydrophobicContact CB-CG2 3.93Å
643G71.8Confident73.7Confident51 Ų5151.6 Ų51.653%0.52628%0.284SS..SBendtrans819.8-175.600000114.1K639K639-G643 WeakPolarHBondContact O-CA 3.28Å; K639-G643 PolarHBondContact O-N 3.16Å
644V79.9Confident75.8Confident33 Ų3349.5 Ų49.520%0.227%0.273CS..  trans-131.5147.5-179.5-67.50000110.4A575 A579 K639 F642 M646A575-V644 HydrophobicContact CB-CG2 4.36Å; A579-V644 HydrophobicContact CB-CB 3.91Å; A579-V644 HydrophobicContact CB-CG1 4.28Å; A579-V644 HydrophobicContact CB-CG2 4Å; K639-V644 WeakPolarHBondContact CA-O 3.36Å; F642-V644 VanDerWaalsContact C-N 3.32Å; F642-V644 HydrophobicContact CB-CG2 3.93Å; V644-M646 HydrophobicContact CG2-CG 4.4Å; V644-M646 HydrophobicContact CG2-SD 4.39Å
645E78.5Confident78.1Confident128 Ų12845.2 Ų45.260%0.59825%0.245SC*.  trans-100.1127.4176.6-164.3162.2-175.500108.4K639K639-E645 IonicContact NZ-OE2 3.47Å; K639-E645 PolarHBondContact NZ-OE2 3.49Å
646M83.7Confident80.5Confident20 Ų2041 Ų4110%0.09923%0.226CC..  trans-132.1125.5-177.4-65.717964.500108.9A575 V578 A579 L582 L621 V644 P648 L651A575-M646 HydrophobicContact CB-SD 4.22Å; V578-M646 HydrophobicContact CB-CE 3.78Å; V578-M646 HydrophobicContact CG1-CE 3.4Å; V578-M646 VanDerWaalsContact CG1-CE 3.4Å; A579-M646 HydrophobicContact CB-CG 3.79Å; A579-M646 HydrophobicContact CB-SD 4.17Å; L582-M646 HydrophobicContact CD1-CE 4.07Å; L621-M646 HydrophobicContact CD2-CE 3.82Å; V644-M646 HydrophobicContact CG2-CG 4.4Å; V644-M646 HydrophobicContact CG2-SD 4.39Å; M646-P648 WeakPolarHBondContact O-CD 3.45Å; M646-L651 HydrophobicContact CE-CD1 3.86Å
647N87.7Confident82.7Confident52 Ų5236.5 Ų36.528%0.27820%0.199SC..  trans-78.2118.4174.3-177.9-5.6000109.6Y589 V649 E650 L651Y589-N647 PolarHBondContact OH-ND2 3.39Å; N647-V649 PolarHBondContact O-N 3.24Å; N647-V649 WeakPolarHBondContact OD1-CB 3.29Å; N647-V649 WeakPolarHBondContact OD1-CG2 3.48Å; N647-V649 PolarHBondContact OD1-N 3.11Å; N647-E650 HydrophobicContact CB-CB 4.09Å; N647-E650 HydrophobicContact CB-CG 3.88Å; N647-E650 PolarHBondContact ND2-OE1 3.03Å; N647-E650 PolarHBondContact O-N 2.8Å; N647-E650 VanDerWaalsContact O-N 3.07Å; N647-L651 PolarHBondContact O-N 3.14Å
648P89.6Confident84.5Confident12 Ų1234.8 Ų34.88%0.07819%0.188CC..Hα-helixtrans-60.3-28.6178.6-24.635.6000113.7F635 M646 E650 L651 I652 L707 M708F635-P648 HydrophobicContact CE2-CG 3.65Å; F635-P648 HydrophobicContact CZ-CG 3.73Å; M646-P648 WeakPolarHBondContact O-CD 3.45Å; P648-E650 VanDerWaalsContact C-N 3.32Å; P648-L651 PolarHBondContact O-N 3.16Å; P648-I652 PolarHBondContact O-N 3.16Å; P648-L707 HydrophobicContact CB-CB 4.06Å; P648-L707 HydrophobicContact CB-CD1 4.46Å; P648-L707 HydrophobicContact CG-CB 3.79Å; P648-L707 HydrophobicContact CG-CD1 4.32Å; P648-M708 HydrophobicContact CB-CG 3.53Å; P648-M708 HydrophobicContact CB-SD 4.08Å; P648-M708 HydrophobicContact CG-CG 4.34Å
649V92.3Very high86.1Confident6 Ų634.1 Ų34.14%0.03619%0.186CC..Hα-helixtrans-64.6-39.4176.4-172.40000110.4I602 N647 I652 Q653 M708 Q716I602-V649 HydrophobicContact CD1-CB 4.42Å; I602-V649 HydrophobicContact CD1-CG1 3.75Å; I602-V649 HydrophobicContact CG1-CG1 3.82Å; N647-V649 PolarHBondContact O-N 3.24Å; N647-V649 WeakPolarHBondContact OD1-CB 3.29Å; N647-V649 WeakPolarHBondContact OD1-CG2 3.48Å; N647-V649 PolarHBondContact OD1-N 3.11Å; V649-I652 WeakPolarHBondContact O-CG1 3.38Å; V649-Q653 WeakPolarHBondContact O-CG 3.3Å; V649-Q653 PolarHBondContact O-NE2 3.4Å; V649-M708 HydrophobicContact CB-CE 4.43Å; V649-M708 HydrophobicContact CG2-CE 3.6Å; V649-M708 HydrophobicContact CG2-SD 4.35Å; V649-Q716 HydrophobicContact CG1-CG 4.27Å
650E94.3Very high87.6Confident44 Ų4428.7 Ų28.721%0.20616%0.163CC..Hα-helixtrans-75.9-38.5177.9-65.2172.3-175.900111.3L582 Y587 Y589 I602 N647 P648 I652 Q653L582-E650 HydrophobicContact CD1-CB 4.39Å; L582-E650 HydrophobicContact CD2-CB 4.32Å; Y587-E650 HydrophobicContact CD2-CB 4.27Å; Y587-E650 HydrophobicContact CD2-CG 3.64Å; Y587-E650 HydrophobicContact CE2-CB 3.84Å; Y587-E650 HydrophobicContact CE2-CG 3.74Å; Y589-E650 PolarHBondContact OH-OE1 3.1Å; I602-E650 HydrophobicContact CD1-CB 4.45Å; I602-E650 HydrophobicContact CD1-CG 3.75Å; N647-E650 HydrophobicContact CB-CB 4.09Å; N647-E650 HydrophobicContact CB-CG 3.88Å; N647-E650 PolarHBondContact ND2-OE1 3.03Å; N647-E650 PolarHBondContact O-N 2.8Å; N647-E650 VanDerWaalsContact O-N 3.07Å; P648-E650 VanDerWaalsContact C-N 3.32Å; E650-I652 VanDerWaalsContact C-N 3.29Å; E650-I652 PolarHBondContact O-N 3.1Å; E650-Q653 WeakPolarHBondContact O-CB 3.38Å; E650-Q653 WeakPolarHBondContact O-CG 3.23Å; E650-Q653 PolarHBondContact O-N 2.8Å; E650-Q653 VanDerWaalsContact O-N 3.15Å
651L93.3Very high89.1Confident2 Ų223.5 Ų23.51%0.0113%0.131CC..Hα-helixtrans-55-42.1-179.8176.259.7000112.7V578 L582 Q618 L621 M646 N647 P648 L700V578-L651 HydrophobicContact CG1-CD1 3.81Å; L582-L651 HydrophobicContact CD1-CB 4.48Å; Q618-L651 HydrophobicContact CG-CD1 4.3Å; L621-L651 HydrophobicContact CD2-CD1 3.94Å; M646-L651 HydrophobicContact CE-CD1 3.86Å; N647-L651 PolarHBondContact O-N 3.14Å; P648-L651 PolarHBondContact O-N 3.16Å; L651-L700 HydrophobicContact CD1-CD1 3.98Å; L651-L700 HydrophobicContact CD2-CD1 4.12Å; L651-L700 HydrophobicContact CG-CD1 3.87Å; L651-L700 HydrophobicContact CG-CG 4.49Å
652I95.4Very high90.5Very high0 Ų020.8 Ų20.80%012%0.117CC..THydrogen-bonded Turntrans-83.1-6.2-17761.7176.4000114.7P648 V649 E650 S654 A655 L656 L700 L701 A704 M708 F713P648-I652 PolarHBondContact O-N 3.16Å; V649-I652 WeakPolarHBondContact O-CG1 3.38Å; E650-I652 VanDerWaalsContact C-N 3.29Å; E650-I652 PolarHBondContact O-N 3.1Å; I652-S654 VanDerWaalsContact C-N 3.28Å; I652-S654 PolarHBondContact O-N 3.5Å; I652-A655 PolarHBondContact O-N 2.72Å; I652-L656 HydrophobicContact CD1-CD2 4.35Å; I652-L656 VanDerWaalsContact O-CB 3.29Å; I652-L656 WeakPolarHBondContact O-CB 3.19Å; I652-L656 PolarHBondContact O-N 3.44Å; I652-L700 HydrophobicContact CG2-CG 4.38Å; I652-L701 HydrophobicContact CB-CD2 4Å; I652-L701 HydrophobicContact CD1-CD2 4.29Å; I652-L701 HydrophobicContact CG2-CD2 4.19Å; I652-A704 HydrophobicContact CB-CB 4.47Å; I652-A704 HydrophobicContact CD1-CB 4.44Å; I652-A704 HydrophobicContact CG2-CB 3.11Å; I652-M708 HydrophobicContact CD1-SD 4.23Å; I652-F713 HydrophobicContact CD1-CD2 4.45Å; I652-F713 HydrophobicContact CD1-CE2 4.28Å
653Q95.7Very high91.6Very high2 Ų220.6 Ų20.61%0.00912%0.117CC..Hα-helixtrans-59.1-39.1-169.8-70.6-59.9-52.600112.7Y587 I602 V649 E650 R657Y587-Q653 HydrophobicContact CD1-CG 4.34Å; Y587-Q653 HydrophobicContact CE1-CB 4.03Å; Y587-Q653 HydrophobicContact CE1-CG 3.85Å; I602-Q653 HydrophobicContact CD1-CG 3.72Å; I602-Q653 HydrophobicContact CG2-CG 4.47Å; V649-Q653 WeakPolarHBondContact O-CG 3.3Å; V649-Q653 PolarHBondContact O-NE2 3.4Å; E650-Q653 WeakPolarHBondContact O-CB 3.38Å; E650-Q653 WeakPolarHBondContact O-CG 3.23Å; E650-Q653 PolarHBondContact O-N 2.8Å; E650-Q653 VanDerWaalsContact O-N 3.15Å; Q653-R657 WeakPolarHBondContact O-CB 3.38Å; Q653-R657 WeakPolarHBondContact O-CG 3.42Å; Q653-R657 PolarHBondContact O-N 3.45Å
654S94.9Very high92.7Very high18 Ų1818.9 Ų18.913%0.12610%0.095CC..Hα-helixtrans-62.6-51.5177.1540000111.7I652 L656 V658I652-S654 VanDerWaalsContact C-N 3.28Å; I652-S654 PolarHBondContact O-N 3.5Å; S654-L656 PolarHBondContact O-N 2.86Å; S654-V658 VanDerWaalsContact O-CG2 3.31Å; S654-V658 WeakPolarHBondContact O-CG2 3.46Å; S654-V658 PolarHBondContact O-N 2.81Å
655A96.9Very high93.3Very high0 Ų018 Ų180%09%0.09CC..Hα-helixtrans-62.4-42.8177.600000112.2I652 V658 Q659 D697 L700I652-A655 PolarHBondContact O-N 2.72Å; A655-V658 PolarHBondContact O-N 3.31Å; A655-Q659 WeakPolarHBondContact O-CG 3.47Å; A655-Q659 PolarHBondContact O-N 3.28Å; A655-D697 HydrophobicContact CB-CB 3.77Å; A655-L700 HydrophobicContact CB-CD2 3.95Å
656L97.3Very high93.8Very high0 Ų013.1 Ų13.10%07%0.07CC..Hα-helixtrans-66.1-46-177.8-178.350.7000112.1I652 S654 V658 Q659 V660 L701 Q716 L717 S720 F721I652-L656 HydrophobicContact CD1-CD2 4.35Å; I652-L656 VanDerWaalsContact O-CB 3.29Å; I652-L656 WeakPolarHBondContact O-CB 3.19Å; I652-L656 PolarHBondContact O-N 3.44Å; S654-L656 PolarHBondContact O-N 2.86Å; L656-V658 VanDerWaalsContact C-N 3.28Å; L656-V658 PolarHBondContact O-N 3.37Å; L656-Q659 PolarHBondContact O-N 2.9Å; L656-Q659 VanDerWaalsContact O-N 3.14Å; L656-V660 HydrophobicContact CD1-CG2 4.42Å; L656-V660 WeakPolarHBondContact O-CG2 3.43Å; L656-V660 PolarHBondContact O-N 3.38Å; L656-L701 HydrophobicContact CB-CD2 4.48Å; L656-Q716 HydrophobicContact CD2-CG 4.07Å; L656-L717 HydrophobicContact CD1-CD2 3.36Å; L656-L717 HydrophobicContact CD2-CD2 4.01Å; L656-L717 HydrophobicContact CG-CD2 4.3Å; L656-S720 VanDerWaalsContact CD2-OG 3.25Å; L656-S720 WeakPolarHBondContact CD2-OG 3.45Å; L656-F721 HydrophobicContact CD1-CE2 4.13Å
657R97Very high94.1Very high44 Ų4413.4 Ų13.417%0.1667%0.074CC..Hα-helixtrans-60.3-39.1176.1-69.5177.9-173.7-170.72.6111.7Y604 E610 V611 Q653 V660 C661Y604-R657 HydrophobicContact CD1-CG 4.25Å; Y604-R657 HydrophobicContact CD2-CG 3.66Å; Y604-R657 HydrophobicContact CE1-CB 4.31Å; Y604-R657 HydrophobicContact CE1-CG 4.09Å; Y604-R657 HydrophobicContact CE2-CB 4.12Å; Y604-R657 HydrophobicContact CE2-CG 3.5Å; Y604-R657 VanDerWaalsContact CE2-CG 3.5Å; Y604-R657 HydrophobicContact CG-CG 4.04Å; E610-R657 PolarHBondContact O-NH1 2.91Å; V611-R657 HydrophobicContact CB-CB 4.29Å; V611-R657 HydrophobicContact CG2-CB 3.83Å; Q653-R657 WeakPolarHBondContact O-CB 3.38Å; Q653-R657 WeakPolarHBondContact O-CG 3.42Å; Q653-R657 PolarHBondContact O-N 3.45Å; R657-V660 PolarHBondContact O-N 3.42Å; R657-C661 WeakPolarHBondContact O-CB 3.3Å; R657-C661 PolarHBondContact O-N 3.49Å
658V96.7Very high94.1Very high0 Ų011.8 Ų11.80%07%0.07CC..Hα-helixtrans-63.6-42.5174.6170.30000111.4V611 S612 F613 S654 A655 L656 V660 C661 C662 F684V611-V658 HydrophobicContact CG2-CG2 3.94Å; S612-V658 WeakPolarHBondContact O-CG2 3.48Å; F613-V658 HydrophobicContact CD1-CG1 3.6Å; F613-V658 HydrophobicContact CD1-CG2 4.36Å; F613-V658 HydrophobicContact CD2-CG2 4.39Å; F613-V658 HydrophobicContact CE1-CG1 3.58Å; F613-V658 HydrophobicContact CG-CG1 4.26Å; F613-V658 HydrophobicContact CG-CG2 4.19Å; F613-V658 HydrophobicContact CZ-CG1 4.17Å; S654-V658 VanDerWaalsContact O-CG2 3.31Å; S654-V658 WeakPolarHBondContact O-CG2 3.46Å; S654-V658 PolarHBondContact O-N 2.81Å; A655-V658 PolarHBondContact O-N 3.31Å; L656-V658 VanDerWaalsContact C-N 3.28Å; L656-V658 PolarHBondContact O-N 3.37Å; V658-V660 PolarHBondContact O-N 2.84Å; V658-C661 PolarHBondContact O-N 3.44Å; V658-C662 WeakPolarHBondContact O-CB 3.3Å; V658-C662 PolarHBondContact O-N 2.75Å; V658-C662 PolarHBondContact O-SG 3.39Å; V658-F684 HydrophobicContact CG1-CD1 4.01Å; V658-F684 HydrophobicContact CG1-CD2 4.4Å; V658-F684 HydrophobicContact CG1-CE1 3.47Å; V658-F684 VanDerWaalsContact CG1-CE1 3.47Å; V658-F684 HydrophobicContact CG1-CE2 3.95Å; V658-F684 HydrophobicContact CG1-CG 4.43Å; V658-F684 HydrophobicContact CG1-CZ 3.44Å; V658-F684 VanDerWaalsContact CG1-CZ 3.44Å
659Q96.3Very high94.2Very high8 Ų813.2 Ų13.24%0.0378%0.076CC..Hα-helixtrans-62.8-40.9175.5-66.2-55-43.900112.2A655 L656 C662 A663 L701 F721 L752A655-Q659 WeakPolarHBondContact O-CG 3.47Å; A655-Q659 PolarHBondContact O-N 3.28Å; L656-Q659 PolarHBondContact O-N 2.9Å; L656-Q659 VanDerWaalsContact O-N 3.14Å; Q659-C662 PolarHBondContact O-N 3.33Å; Q659-A663 WeakPolarHBondContact O-CB 3.13Å; Q659-A663 PolarHBondContact O-N 3.14Å; Q659-L701 HydrophobicContact CG-CD1 4.09Å; Q659-F721 HydrophobicContact CB-CZ 4.41Å; Q659-L752 HydrophobicContact CB-CD2 4.13Å; Q659-L752 HydrophobicContact CG-CD1 4.02Å; Q659-L752 HydrophobicContact CG-CD2 4.25Å
660V96.9Very high94.3Very high5 Ų513.2 Ų13.23%0.038%0.075CC..Hα-helixtrans-64.2-49.2175.4177.10000110.4Y604 L656 R657 V658 C662 A663 E664 S720 F721Y604-V660 HydrophobicContact CD1-CB 4.44Å; Y604-V660 HydrophobicContact CD1-CG1 4.27Å; Y604-V660 HydrophobicContact CD1-CG2 4.43Å; Y604-V660 HydrophobicContact CE1-CB 3.86Å; Y604-V660 HydrophobicContact CE1-CG1 3.71Å; Y604-V660 HydrophobicContact CE1-CG2 4.32Å; L656-V660 HydrophobicContact CD1-CG2 4.42Å; L656-V660 WeakPolarHBondContact O-CG2 3.43Å; L656-V660 PolarHBondContact O-N 3.38Å; R657-V660 PolarHBondContact O-N 3.42Å; V658-V660 PolarHBondContact O-N 2.84Å; V660-C662 VanDerWaalsContact C-N 3.31Å; V660-C662 PolarHBondContact O-N 2.99Å; V660-A663 WeakPolarHBondContact O-CB 3.35Å; V660-A663 PolarHBondContact O-N 3.37Å; V660-E664 HydrophobicContact CG1-CG 4.14Å; V660-E664 WeakPolarHBondContact O-CG 3.31Å; V660-E664 PolarHBondContact O-N 3.39Å; V660-S720 WeakPolarHBondContact CG2-O 3.26Å; V660-F721 HydrophobicContact CG2-CD2 3.58Å; V660-F721 HydrophobicContact CG2-CE2 3.61Å; V660-F721 HydrophobicContact CG2-CG 4.09Å; V660-F721 HydrophobicContact CG2-CZ 4.13Å
661C96Very high94Very high2 Ų220.7 Ų20.71%0.01410%0.102CC..Hα-helixtrans-56.8-43.2176.9179.80000112V611 F613 R657 V658 A663 E664 T665 W670V611-C661 HydrophobicContact CG1-CB 4.13Å; V611-C661 HydrophobicContact CG2-CB 4.18Å; F613-C661 HydrophobicContact CE2-CB 4.41Å; F613-C661 HydrophobicContact CZ-CB 4.37Å; R657-C661 WeakPolarHBondContact O-CB 3.3Å; R657-C661 PolarHBondContact O-N 3.49Å; V658-C661 PolarHBondContact O-N 3.44Å; C661-A663 PolarHBondContact O-N 2.81Å; C661-E664 PolarHBondContact O-N 2.8Å; C661-T665 WeakPolarHBondContact O-CB 3.24Å; C661-T665 PolarHBondContact O-N 3.23Å; C661-T665 PolarHBondContact O-OG1 2.89Å; C661-W670 HydrophobicContact CB-CZ2 4.17Å; C661-W670 VanDerWaalsContact SG-CZ2 3.59Å
662C94.7Very high93.8Very high1 Ų126.2 Ų26.21%0.00712%0.122CC..Hα-helixtrans-61.4-42.6174.6-70.50000112V658 Q659 V660 S666 E681V658-C662 WeakPolarHBondContact O-CB 3.3Å; V658-C662 PolarHBondContact O-N 2.75Å; V658-C662 PolarHBondContact O-SG 3.39Å; Q659-C662 PolarHBondContact O-N 3.33Å; V660-C662 VanDerWaalsContact C-N 3.31Å; V660-C662 PolarHBondContact O-N 2.99Å; C662-S666 WeakPolarHBondContact O-CB 3.21Å; C662-S666 PolarHBondContact O-N 3.04Å; C662-E681 HydrophobicContact CB-CG 4.13Å
663A94.2Very high93.5Very high5 Ų526.8 Ų26.84%0.04113%0.125CC..Hα-helixtrans-63.8-49.9178.100000111.5Q659 V660 C661 T665 S666 C667 F721 R748Q659-A663 WeakPolarHBondContact O-CB 3.13Å; Q659-A663 PolarHBondContact O-N 3.14Å; V660-A663 WeakPolarHBondContact O-CB 3.35Å; V660-A663 PolarHBondContact O-N 3.37Å; C661-A663 PolarHBondContact O-N 2.81Å; A663-T665 PolarHBondContact O-N 3.13Å; A663-S666 WeakPolarHBondContact O-CB 2.98Å; A663-S666 PolarHBondContact O-N 3.47Å; A663-C667 PolarHBondContact O-N 3.03Å; A663-C667 PolarHBondContact O-SG 2.8Å; A663-F721 HydrophobicContact CB-CD1 4.38Å; A663-F721 HydrophobicContact CB-CE1 3.64Å; A663-F721 HydrophobicContact CB-CZ 4.45Å; A663-R748 HydrophobicContact CB-CB 3.55Å; A663-R748 HydrophobicContact CB-CG 3.93Å
664E95Very high93Very high14 Ų1427.2 Ų27.27%0.06513%0.13CC..Hα-helixtrans-63.3-40.3178.4-69.4-175.2127.800112.6R527 S606 V660 C661 S666 C667 G668 M669 W670R527-E664 IonicContact CZ-OE1 2.78Å; R527-E664 IonicContact NH1-OE1 3.26Å; R527-E664 PolarHBondContact NH1-OE1 3.45Å; S606-E664 VanDerWaalsContact CB-OE2 3.24Å; S606-E664 WeakPolarHBondContact CB-OE2 3.46Å; S606-E664 PolarHBondContact OG-OE1 3.32Å; S606-E664 PolarHBondContact OG-OE2 2.54Å; S606-E664 VanDerWaalsContact OG-OE2 3.1Å; V660-E664 HydrophobicContact CG1-CG 4.14Å; V660-E664 WeakPolarHBondContact O-CG 3.31Å; V660-E664 PolarHBondContact O-N 3.39Å; C661-E664 PolarHBondContact O-N 2.8Å; E664-S666 VanDerWaalsContact C-N 3.35Å; E664-C667 CarbonylContact O-C 3.59Å; E664-C667 PolarHBondContact O-N 2.81Å; E664-C667 VanDerWaalsContact O-N 3.17Å; E664-G668 PolarHBondContact O-N 2.9Å; E664-M669 HydrophobicContact CB-CB 4.18Å; E664-M669 HydrophobicContact CB-SD 3.94Å; E664-M669 HydrophobicContact CG-SD 3.84Å; E664-M669 WeakPolarHBondContact O-CB 3.41Å; E664-M669 PolarHBondContact O-N 2.9Å; E664-W670 VanDerWaalsContact CB-CD1 3.47Å; E664-W670 VanDerWaalsContact CB-NE1 3.3Å; E664-W670 PolarHBondContact OE2-NE1 3.39Å
665T93.2Very high92.5Very high15 Ų1536.1 Ų36.19%0.09216%0.161CC..Hα-helixtrans-62.5-44.5176-63.50000110.4C661 A663 C667 G668 A678 E681C661-T665 WeakPolarHBondContact O-CB 3.24Å; C661-T665 PolarHBondContact O-N 3.23Å; C661-T665 PolarHBondContact O-OG1 2.89Å; A663-T665 PolarHBondContact O-N 3.13Å; T665-C667 PolarHBondContact O-N 3.31Å; T665-G668 PolarHBondContact O-N 3.12Å; T665-A678 HydrophobicContact CG2-CB 4.48Å; T665-E681 HydrophobicContact CG2-CB 4.16Å
666S88.5Confident91.9Very high26 Ų2636.4 Ų36.418%0.18216%0.164CC..Hα-helixtrans-61.1-31.1173.9-98.70000113.5C662 A663 E664 G668 E681 R748 K845C662-S666 WeakPolarHBondContact O-CB 3.21Å; C662-S666 PolarHBondContact O-N 3.04Å; A663-S666 WeakPolarHBondContact O-CB 2.98Å; A663-S666 PolarHBondContact O-N 3.47Å; E664-S666 VanDerWaalsContact C-N 3.35Å; S666-G668 VanDerWaalsContact C-N 3.28Å; S666-E681 PolarHBondContact OG-OE1 3.12Å; S666-E681 PolarHBondContact OG-OE2 2.99Å; S666-R748 PolarHBondContact OG-NH2 3.03Å; S666-K845 WeakPolarHBondContact OG-CE 3.46Å; S666-K845 PolarHBondContact OG-NZ 2.9Å
667C89.9Confident91.4Very high25 Ų2536.7 Ų36.717%0.16917%0.166CC..THydrogen-bonded Turntrans-82.4-0174-62.50000113.4A663 E664 T665 M669 L741 H744A663-C667 PolarHBondContact O-N 3.03Å; A663-C667 PolarHBondContact O-SG 2.8Å; E664-C667 CarbonylContact O-C 3.59Å; E664-C667 PolarHBondContact O-N 2.81Å; E664-C667 VanDerWaalsContact O-N 3.17Å; T665-C667 PolarHBondContact O-N 3.31Å; C667-M669 HydrophobicContact CB-CG 4.22Å; C667-L741 HydrophobicContact CB-CD2 4.47Å; C667-H744 VanDerWaalsContact SG-CB 3.55Å
668G89.2Confident91Very high19 Ų1937.3 Ų37.320%0.19618%0.18CC..THydrogen-bonded Turntrans79.813.3178.800000114.9E664 T665 S666 W670 R671E664-G668 PolarHBondContact O-N 2.9Å; T665-G668 PolarHBondContact O-N 3.12Å; S666-G668 VanDerWaalsContact C-N 3.28Å; G668-W670 VanDerWaalsContact C-N 3.31Å; G668-W670 PolarHBondContact O-N 2.78Å; G668-R671 WeakPolarHBondContact O-CD 3.28Å; G668-R671 VanDerWaalsContact O-CG 3.22Å; G668-R671 WeakPolarHBondContact O-CG 3.05Å
669M91.8Very high90.6Very high42 Ų4240 Ų4021%0.20719%0.191CC..THydrogen-bonded Turntrans-75.2-21.8-178.3-57.3177.7107.700112.9E664 C667 L741 I745E664-M669 HydrophobicContact CB-CB 4.18Å; E664-M669 HydrophobicContact CB-SD 3.94Å; E664-M669 HydrophobicContact CG-SD 3.84Å; E664-M669 WeakPolarHBondContact O-CB 3.41Å; E664-M669 PolarHBondContact O-N 2.9Å; C667-M669 HydrophobicContact CB-CG 4.22Å; M669-L741 HydrophobicContact CE-CB 4.18Å; M669-L741 HydrophobicContact CE-CD1 4.06Å; M669-L741 HydrophobicContact CG-CD2 4.33Å; M669-I745 HydrophobicContact CE-CD1 3.92Å; M669-I745 HydrophobicContact SD-CD1 3.66Å; M669-I745 HydrophobicContact SD-CG1 4.36Å
670W92.7Very high90.4Very high6 Ų640 Ų402%0.02319%0.191CC..THydrogen-bonded Turntrans-94.712.8179.8-71.471.9000113.6R527 V611 C661 E664 G668 R672 N673 A677R527-W670 HydrophobicContact CB-CD2 4.1Å; R527-W670 HydrophobicContact CB-CE3 4.26Å; R527-W670 HydrophobicContact CB-CH2 3.88Å; R527-W670 HydrophobicContact CB-CZ2 3.72Å; R527-W670 HydrophobicContact CB-CZ3 4.15Å; R527-W670 HydrophobicContact CG-CD2 3.87Å; R527-W670 HydrophobicContact CG-CE3 4.35Å; R527-W670 HydrophobicContact CG-CG 4.11Å; R527-W670 HydrophobicContact CG-CZ2 4.26Å; V611-W670 HydrophobicContact CG1-CH2 3.71Å; V611-W670 HydrophobicContact CG1-CZ2 4.25Å; C661-W670 HydrophobicContact CB-CZ2 4.17Å; C661-W670 VanDerWaalsContact SG-CZ2 3.59Å; E664-W670 VanDerWaalsContact CB-CD1 3.47Å; E664-W670 VanDerWaalsContact CB-NE1 3.3Å; E664-W670 PolarHBondContact OE2-NE1 3.39Å; G668-W670 VanDerWaalsContact C-N 3.31Å; G668-W670 PolarHBondContact O-N 2.78Å; W670-R672 PolarHBondContact O-N 2.58Å; W670-R672 VanDerWaalsContact O-N 3.11Å; W670-N673 HydrophobicContact CE3-CB 4.14Å; W670-N673 WeakPolarHBondContact O-CB 3.33Å; W670-N673 PolarHBondContact O-N 3.39Å; W670-A677 HydrophobicContact CB-CB 3.78Å; W670-A677 HydrophobicContact CE3-CB 4.21Å; W670-A677 HydrophobicContact CG-CB 4.49Å
671R88.9Confident90.1Very high201 Ų20140.4 Ų40.476%0.75819%0.192SC*.G310 helixtrans-56.9-29.8-178.2-77.6174.6-176.4-174.44.8113.8G668 N673 G674G668-R671 WeakPolarHBondContact O-CD 3.28Å; G668-R671 VanDerWaalsContact O-CG 3.22Å; G668-R671 WeakPolarHBondContact O-CG 3.05Å; R671-N673 VanDerWaalsContact C-N 3.29Å; R671-N673 PolarHBondContact O-N 2.77Å; R671-G674 PolarHBondContact O-N 2.87Å
672R88.2Confident89.8Confident118 Ų11847.2 Ų47.245%0.44522%0.218SC..G310 helixtrans-74.7-18179-67.1-174.118096.6-8.1113.4H528 I529 H532 I533 W670 G674H528-R672 HydrophobicContact CB-CB 4.23Å; H528-R672 WeakPolarHBondContact O-CB 3.5Å; I529-R672 WeakPolarHBondContact O-CD 3.38Å; I529-R672 PolarHBondContact O-NE 2.87Å; I529-R672 PolarHBondContact O-NH1 3.17Å; H532-R672 WeakPolarHBondContact CA-O 3.43Å; H532-R672 PolarHBondContact ND1-O 2.73Å; I533-R672 PolarHBondContact N-O 3.32Å; I533-R672 VanDerWaalsContact N-O 3.09Å; W670-R672 PolarHBondContact O-N 2.58Å; W670-R672 VanDerWaalsContact O-N 3.11Å; R672-G674 PolarHBondContact O-N 3.42Å
673N90.1Very high89.6Confident12 Ų1247.1 Ų47.16%0.06422%0.218CC..G310 helixtrans-79.87.9171.2-67.166.1000113.1V526 H528 I533 W670 R671 A677V526-N673 PolarHBondContact O-ND2 2.96Å; H528-N673 PolarHBondContact N-OD1 2.92Å; I533-N673 VanDerWaalsContact CD1-C 3.49Å; I533-N673 WeakPolarHBondContact CD1-O 3.37Å; W670-N673 HydrophobicContact CE3-CB 4.14Å; W670-N673 WeakPolarHBondContact O-CB 3.33Å; W670-N673 PolarHBondContact O-N 3.39Å; R671-N673 VanDerWaalsContact C-N 3.29Å; R671-N673 PolarHBondContact O-N 2.77Å; N673-A677 HydrophobicContact CB-CB 3.97Å
674G83.8Confident89.6Confident11 Ų1146.9 Ų46.911%0.11322%0.216CC..Hα-helixtrans75.1-170.6179.500000114.2E536 R671 R672 A676E536-G674 VanDerWaalsContact OE1-CA 3.26Å; E536-G674 WeakPolarHBondContact OE1-CA 3.28Å; R671-G674 PolarHBondContact O-N 2.87Å; R672-G674 PolarHBondContact O-N 3.42Å; G674-A676 PolarHBondContact O-N 3.31Å
675R84.7Confident89.3Confident205 Ų20549.4 Ų49.477%0.77423%0.225SC*.Hα-helixtrans-66.9-24178.3-63.7179.9174.4-174.6-0.8112.1E536 A677 A678 Y679E536-R675 PolarHBondContact OE1-N 3.38Å; R675-A677 PolarHBondContact O-N 3.34Å; R675-A678 PolarHBondContact O-N 3.15Å; R675-Y679 PolarHBondContact O-N 2.85Å
676A84.8Confident89.1Confident6 Ų649.2 Ų49.25%0.0522%0.224CC..Hα-helixtrans-51.5-49.2177.200000112.3P537 I539 G674 A678 Y679 Q680P537-A676 HydrophobicContact CG-CB 4Å; I539-A676 HydrophobicContact CD1-CB 3.82Å; I539-A676 WeakPolarHBondContact CD1-O 3.48Å; I539-A676 HydrophobicContact CG1-CB 4.38Å; G674-A676 PolarHBondContact O-N 3.31Å; A676-A678 PolarHBondContact O-N 2.8Å; A676-Y679 CarbonylContact O-C 3.6Å; A676-Y679 WeakPolarHBondContact O-CB 3.46Å; A676-Y679 PolarHBondContact O-N 3.43Å; A676-Y679 VanDerWaalsContact O-N 3.12Å; A676-Q680 WeakPolarHBondContact O-CG 3.32Å; A676-Q680 PolarHBondContact O-N 2.7Å
677A87.8Confident88.9Confident6 Ų650.3 Ų50.35%0.0523%0.226CC..Hα-helixtrans-61-42.9-179.400000113W670 N673 R675 Y679 Q680 E681W670-A677 HydrophobicContact CB-CB 3.78Å; W670-A677 HydrophobicContact CE3-CB 4.21Å; W670-A677 HydrophobicContact CG-CB 4.49Å; N673-A677 HydrophobicContact CB-CB 3.97Å; R675-A677 PolarHBondContact O-N 3.34Å; A677-Y679 VanDerWaalsContact C-N 3.32Å; A677-Y679 PolarHBondContact O-N 3.47Å; A677-Q680 PolarHBondContact O-N 3.36Å; A677-E681 PolarHBondContact O-N 3.11Å
678A87.5Confident88.6Confident56 Ų5653.2 Ų53.246%0.46324%0.237SC..Hα-helixtrans-65.5-36.8175.800000112T665 R675 A676 Y682T665-A678 HydrophobicContact CG2-CB 4.48Å; R675-A678 PolarHBondContact O-N 3.15Å; A676-A678 PolarHBondContact O-N 2.8Å; A678-Y682 PolarHBondContact O-N 2.96Å; A678-Y682 VanDerWaalsContact O-N 3.12Å
679Y89.6Confident88.4Confident58 Ų5853.2 Ų53.223%0.22723%0.231CC..Hα-helixtrans-66.6-38173.5179.8-90000112.1I539 E540 Y543 R675 A676 A677 E681 Y682 A683I539-Y679 HydrophobicContact CD1-CD1 3.48Å; I539-Y679 VanDerWaalsContact CD1-CD1 3.48Å; I539-Y679 HydrophobicContact CD1-CE1 4.37Å; I539-Y679 HydrophobicContact CD1-CG 4.25Å; I539-Y679 HydrophobicContact CG1-CD1 3.8Å; I539-Y679 HydrophobicContact CG1-CE1 4.29Å; E540-Y679 HydrophobicContact CB-CE1 4.45Å; E540-Y679 HydrophobicContact CG-CE1 3.84Å; E540-Y679 HydrophobicContact CG-CE2 4.4Å; Y543-Y679 HydrophobicContact CD2-CE1 4.05Å; Y543-Y679 HydrophobicContact CG-CE1 4.49Å; R675-Y679 PolarHBondContact O-N 2.85Å; A676-Y679 CarbonylContact O-C 3.6Å; A676-Y679 WeakPolarHBondContact O-CB 3.46Å; A676-Y679 PolarHBondContact O-N 3.43Å; A676-Y679 VanDerWaalsContact O-N 3.12Å; A677-Y679 VanDerWaalsContact C-N 3.32Å; A677-Y679 PolarHBondContact O-N 3.47Å; Y679-E681 PolarHBondContact O-N 3.5Å; Y679-Y682 HydrophobicContact CD2-CD1 4.43Å; Y679-Y682 HydrophobicContact CE2-CD1 4.49Å; Y679-Y682 PolarHBondContact O-N 3.2Å; Y679-A683 HydrophobicContact CD1-CB 4.19Å; Y679-A683 HydrophobicContact CE1-CB 3.86Å; Y679-A683 WeakPolarHBondContact O-CB 3.49Å; Y679-A683 PolarHBondContact O-N 3.24Å
680Q91Very high88.3Confident8 Ų852.6 Ų52.64%0.03723%0.226CC..Hα-helixtrans-58.8-48.2174.4-64.9-172.829.900111.3I539 Y543 F613 A676 A677 Y682 A683 F684I539-Q680 HydrophobicContact CD1-CB 4.47Å; I539-Q680 HydrophobicContact CD1-CG 3.34Å; Y543-Q680 HydrophobicContact CE2-CB 4.36Å; Y543-Q680 HydrophobicContact CE2-CG 4.03Å; Y543-Q680 WeakPolarHBondContact OH-CA 3.45Å; Y543-Q680 WeakPolarHBondContact OH-CB 3.46Å; Y543-Q680 PolarHBondContact OH-O 2.98Å; F613-Q680 HydrophobicContact CD2-CB 4.32Å; F613-Q680 HydrophobicContact CE1-CB 4.33Å; F613-Q680 HydrophobicContact CE2-CB 4.03Å; F613-Q680 HydrophobicContact CZ-CB 4.03Å; A676-Q680 WeakPolarHBondContact O-CG 3.32Å; A676-Q680 PolarHBondContact O-N 2.7Å; A677-Q680 PolarHBondContact O-N 3.36Å; Q680-Y682 VanDerWaalsContact C-N 3.31Å; Q680-Y682 PolarHBondContact O-N 2.9Å; Q680-A683 PolarHBondContact O-N 2.7Å; Q680-F684 WeakPolarHBondContact O-CB 3.48Å; Q680-F684 PolarHBondContact O-N 3.42Å
681E90.6Very high88.1Confident12 Ų1253.6 Ų53.66%0.05624%0.236CC..Hα-helixtrans-57.2-45.6175.9-171.8-162.3179.800111.3C662 T665 S666 A677 Y679 R685 K845C662-E681 HydrophobicContact CB-CG 4.13Å; T665-E681 HydrophobicContact CG2-CB 4.16Å; S666-E681 PolarHBondContact OG-OE1 3.12Å; S666-E681 PolarHBondContact OG-OE2 2.99Å; A677-E681 PolarHBondContact O-N 3.11Å; Y679-E681 PolarHBondContact O-N 3.5Å; E681-R685 PolarHBondContact O-N 3.14Å; E681-R685 IonicContact OE1-NH1 3.94Å; E681-R685 PolarHBondContact OE1-NH1 3.35Å; E681-K845 IonicContact OE1-NZ 3.55Å; E681-K845 IonicContact OE2-NZ 2.78Å; E681-K845 PolarHBondContact OE2-NZ 3.31Å
682Y90.6Very high88.3Confident145 Ų14544.6 Ų44.657%0.56920%0.203SC*.Hα-helixtrans-64.5-51.3179.7171.9-100.6000112A678 Y679 Q680 F684 R685 S686A678-Y682 PolarHBondContact O-N 2.96Å; A678-Y682 VanDerWaalsContact O-N 3.12Å; Y679-Y682 HydrophobicContact CD2-CD1 4.43Å; Y679-Y682 HydrophobicContact CE2-CD1 4.49Å; Y679-Y682 PolarHBondContact O-N 3.2Å; Q680-Y682 VanDerWaalsContact C-N 3.31Å; Q680-Y682 PolarHBondContact O-N 2.9Å; Y682-F684 VanDerWaalsContact C-N 3.35Å; Y682-F684 PolarHBondContact O-N 2.97Å; Y682-R685 PolarHBondContact O-N 3.23Å; Y682-S686 PolarHBondContact O-N 3.12Å; Y682-S686 VanDerWaalsContact O-N 3.08Å
683A90.6Very high88.5Confident0 Ų039.3 Ų39.30%018%0.183CC..Hα-helixtrans-64.7-37.6-177.100000112Y543 Y679 Q680 R685 S686Y543-A683 HydrophobicContact CD1-CB 3.5Å; Y543-A683 HydrophobicContact CD2-CB 4.08Å; Y543-A683 HydrophobicContact CE1-CB 3.57Å; Y543-A683 HydrophobicContact CE2-CB 4.18Å; Y543-A683 HydrophobicContact CG-CB 3.76Å; Y679-A683 HydrophobicContact CD1-CB 4.19Å; Y679-A683 HydrophobicContact CE1-CB 3.86Å; Y679-A683 WeakPolarHBondContact O-CB 3.49Å; Y679-A683 PolarHBondContact O-N 3.24Å; Q680-A683 PolarHBondContact O-N 2.7Å; A683-R685 VanDerWaalsContact C-N 3.26Å; A683-R685 PolarHBondContact O-N 3.49Å; A683-S686 WeakPolarHBondContact O-CB 3.28Å; A683-S686 PolarHBondContact O-N 3.1Å; A683-S686 PolarHBondContact O-OG 2.87Å
684F92.6Very high88.8Confident0 Ų038.9 Ų38.90%018%0.181CC..Hα-helixtrans-60-33.1175.2176.2-124.1000113.7F613 V658 Q680 Y682 M693 Y694 D697F613-F684 HydrophobicContact CD1-CB 3.69Å; F613-F684 HydrophobicContact CD1-CD1 4.2Å; F613-F684 AromaticContact CD1-CD2 3.91Å; F613-F684 HydrophobicContact CD1-CD2 3.91Å; F613-F684 AromaticContact CD1-CG 3.69Å; F613-F684 HydrophobicContact CD1-CG 3.69Å; F613-F684 HydrophobicContact CE1-CB 3.83Å; F613-F684 HydrophobicContact CE1-CD1 4Å; F613-F684 AromaticContact CE1-CG 3.89Å; F613-F684 HydrophobicContact CE1-CG 3.89Å; V658-F684 HydrophobicContact CG1-CD1 4.01Å; V658-F684 HydrophobicContact CG1-CD2 4.4Å; V658-F684 HydrophobicContact CG1-CE1 3.47Å; V658-F684 VanDerWaalsContact CG1-CE1 3.47Å; V658-F684 HydrophobicContact CG1-CE2 3.95Å; V658-F684 HydrophobicContact CG1-CG 4.43Å; V658-F684 HydrophobicContact CG1-CZ 3.44Å; V658-F684 VanDerWaalsContact CG1-CZ 3.44Å; Q680-F684 WeakPolarHBondContact O-CB 3.48Å; Q680-F684 PolarHBondContact O-N 3.42Å; Y682-F684 VanDerWaalsContact C-N 3.35Å; Y682-F684 PolarHBondContact O-N 2.97Å; F684-M693 HydrophobicContact CD2-CB 3.88Å; F684-M693 HydrophobicContact CD2-CE 4.12Å; F684-M693 HydrophobicContact CE2-CB 3.96Å; F684-Y694 HydrophobicContact CD1-CD2 4.18Å; F684-Y694 AromaticContact CE1-CD2 3.47Å; F684-Y694 HydrophobicContact CE1-CD2 3.47Å; F684-Y694 VanDerWaalsContact CE1-CD2 3.47Å; F684-Y694 HydrophobicContact CE1-CE2 4.33Å; F684-Y694 HydrophobicContact CE1-CG 4.32Å; F684-Y694 AromaticContact CZ-CD2 3.79Å; F684-Y694 HydrophobicContact CZ-CD2 3.79Å; F684-Y694 HydrophobicContact CZ-CG 4.41Å; F684-D697 VanDerWaalsContact CE2-OD2 3.31Å; F684-D697 WeakPolarHBondContact CE2-OD2 3.24Å; F684-D697 HydrophobicContact CZ-CB 4.29Å; F684-D697 VanDerWaalsContact CZ-OD2 3.29Å; F684-D697 WeakPolarHBondContact CZ-OD2 3.21Å
685R89.4Confident89.3Confident67 Ų6739.9 Ų39.925%0.25318%0.183SC..THydrogen-bonded Turntrans-99.11179.1-68.5-174.1174.1145.42.9114.2E681 Y682 A683 Y694E681-R685 PolarHBondContact O-N 3.14Å; E681-R685 IonicContact OE1-NH1 3.94Å; E681-R685 PolarHBondContact OE1-NH1 3.35Å; Y682-R685 PolarHBondContact O-N 3.23Å; A683-R685 VanDerWaalsContact C-N 3.26Å; A683-R685 PolarHBondContact O-N 3.49Å; R685-Y694 HydrophobicContact CG-CD2 4.28Å; R685-Y694 HydrophobicContact CG-CG 4.37Å
686S88.4Confident89.8Confident11 Ų1131.9 Ų31.98%0.07715%0.153CC..  trans-60.8146.9179.864.20000112.1Y682 A683 E688 R689 R690Y682-S686 PolarHBondContact O-N 3.12Å; Y682-S686 VanDerWaalsContact O-N 3.08Å; A683-S686 WeakPolarHBondContact O-CB 3.28Å; A683-S686 PolarHBondContact O-N 3.1Å; A683-S686 PolarHBondContact O-OG 2.87Å; S686-E688 WeakPolarHBondContact CB-OE2 3.36Å; S686-E688 PolarHBondContact O-N 3.33Å; S686-R689 PolarHBondContact O-N 3.13Å; S686-R690 WeakPolarHBondContact O-CB 3.47Å; S686-R690 WeakPolarHBondContact O-CG 3.34Å; S686-R690 PolarHBondContact O-N 2.67Å
687F84.4Confident90.4Very high48 Ų4831.6 Ų31.621%0.21115%0.151CC..THydrogen-bonded Turntrans-60.3-36.4-173172.6-98.7000112.5R689 Q794 C795 Q798F687-R689 VanDerWaalsContact C-N 3.29Å; F687-R689 PolarHBondContact O-N 3.49Å; F687-Q794 WeakPolarHBondContact CE1-O 3.15Å; F687-Q794 VanDerWaalsContact CZ-O 3.25Å; F687-Q794 WeakPolarHBondContact CZ-O 3.42Å; F687-C795 VanDerWaalsContact CE2-C 3.48Å; F687-C795 VanDerWaalsContact CE2-O 3.23Å; F687-C795 WeakPolarHBondContact CE2-O 3.27Å; F687-Q798 HydrophobicContact CE1-CG 3.95Å; F687-Q798 HydrophobicContact CZ-CG 4.02Å
688E82.9Confident90.8Very high87 Ų8731.4 Ų31.441%0.40715%0.149SC..THydrogen-bonded Turntrans-67.7-31-175.8-58.575.5-164.900111.5E547 S686E547-E688 HydrophobicContact CG-CB 4.42Å; S686-E688 WeakPolarHBondContact CB-OE2 3.36Å; S686-E688 PolarHBondContact O-N 3.33Å
689R86.2Confident91.2Very high18 Ų1829.1 Ų29.17%0.06813%0.129CC..THydrogen-bonded Turntrans-116.3-25-169-53.4175.5-166.3131.7-5.7113.9Y543 N544 E547 S686 F687 A691 E692 M693Y543-R689 PolarHBondContact O-NE 2.79Å; N544-R689 PolarHBondContact OD1-NH2 3.25Å; E547-R689 HydrophobicContact CB-CG 4.07Å; E547-R689 HydrophobicContact CG-CG 4.27Å; E547-R689 IonicContact OE2-CZ 3.89Å; E547-R689 VanDerWaalsContact OE2-CZ 3.29Å; E547-R689 IonicContact OE2-NE 3.6Å; E547-R689 PolarHBondContact OE2-NE 2.76Å; E547-R689 VanDerWaalsContact OE2-NE 3.13Å; E547-R689 IonicContact OE2-NH2 3.95Å; E547-R689 PolarHBondContact OE2-NH2 3.05Å; S686-R689 PolarHBondContact O-N 3.13Å; F687-R689 VanDerWaalsContact C-N 3.29Å; F687-R689 PolarHBondContact O-N 3.49Å; R689-A691 PolarHBondContact O-N 3.15Å; R689-A691 VanDerWaalsContact O-N 3.07Å; R689-E692 PolarHBondContact O-N 3.23Å; R689-E692 VanDerWaalsContact O-N 3.1Å; R689-M693 HydrophobicContact CB-CG 4.43Å; R689-M693 HydrophobicContact CB-SD 3.94Å; R689-M693 PolarHBondContact O-N 3.38Å; R689-M693 VanDerWaalsContact O-N 3.15Å
690R90Very high91.5Very high29 Ų2926.4 Ų26.411%0.10912%0.118CC..G310 helixtrans-54.3-34.8-170.667-175.7-170.6-159.52.9113.9S686 E692 M693 Y694 D695 H842S686-R690 WeakPolarHBondContact O-CB 3.47Å; S686-R690 WeakPolarHBondContact O-CG 3.34Å; S686-R690 PolarHBondContact O-N 2.67Å; R690-E692 VanDerWaalsContact C-N 3.31Å; R690-E692 PolarHBondContact O-N 3.26Å; R690-M693 CarbonylContact O-C 3.38Å; R690-M693 PolarHBondContact O-N 3.23Å; R690-Y694 PolarHBondContact O-N 3.46Å; R690-D695 WeakPolarHBondContact O-CB 3.09Å; R690-D695 PolarHBondContact O-N 3.44Å; R690-H842 VanDerWaalsContact CZ-CG 3.43Å; R690-H842 PolarHBondContact NE-CE1 2.78Å; R690-H842 PolarHBondContact NE-ND1 3.33Å; R690-H842 PolarHBondContact NH2-ND1 3.34Å
691A88.8Confident91.8Very high27 Ų2726 Ų2622%0.22312%0.116CC..G310 helixtrans-61.7-35.3-178.400000113.4R689 R696R689-A691 PolarHBondContact O-N 3.15Å; R689-A691 VanDerWaalsContact O-N 3.07Å; A691-R696 WeakPolarHBondContact O-CG 3.33Å
692E91.7Very high92Very high13 Ų1325.8 Ų25.86%0.06112%0.115CC..G310 helixtrans-107.611.6178-65.7-59.7160.600112.5T550 L553 Q554 H557 R619 R689 R690 R696T550-E692 HydrophobicContact CG2-CB 4.43Å; T550-E692 HydrophobicContact CG2-CG 4Å; L553-E692 HydrophobicContact CB-CG 4.36Å; Q554-E692 HydrophobicContact CG-CG 4.34Å; H557-E692 IonicContact CE1-OE1 3.13Å; H557-E692 IonicContact CE1-OE2 3.87Å; H557-E692 PolarHBondContact CE1-OE2 3.44Å; H557-E692 IonicContact ND1-OE1 3.67Å; H557-E692 PolarHBondContact ND1-OE1 3.37Å; H557-E692 IonicContact ND1-OE2 3.79Å; R619-E692 VanDerWaalsContact CD-O 3.27Å; R619-E692 WeakPolarHBondContact CD-O 3.28Å; R689-E692 PolarHBondContact O-N 3.23Å; R689-E692 VanDerWaalsContact O-N 3.1Å; R690-E692 VanDerWaalsContact C-N 3.31Å; R690-E692 PolarHBondContact O-N 3.26Å; E692-R696 IonicContact OE1-CZ 2.96Å; E692-R696 IonicContact OE1-NE 2.77Å; E692-R696 IonicContact OE1-NH2 2.69Å; E692-R696 PolarHBondContact OE1-NH2 2.95Å; E692-R696 IonicContact OE2-CZ 2.84Å; E692-R696 IonicContact OE2-NE 3.67Å; E692-R696 PolarHBondContact OE2-NE 3.24Å; E692-R696 IonicContact OE2-NH2 2.85Å
693M93.6Very high92.1Very high6 Ų619 Ų193%0.039%0.089CC..THydrogen-bonded Turntrans-128.5-91.2174.3-61.2-171.481.500110.7Y543 A546 F613 F614 F684 R689 R690 D695 R696 D697Y543-M693 HydrophobicContact CD1-CE 4.37Å; Y543-M693 HydrophobicContact CD1-SD 4.37Å; Y543-M693 HydrophobicContact CE1-CE 3.84Å; Y543-M693 HydrophobicContact CE1-SD 4.24Å; A546-M693 HydrophobicContact CB-SD 4.44Å; F613-M693 WeakPolarHBondContact O-CE 3.42Å; F614-M693 HydrophobicContact CD1-CE 4.49Å; F614-M693 HydrophobicContact CE1-CE 4.41Å; F684-M693 HydrophobicContact CD2-CB 3.88Å; F684-M693 HydrophobicContact CD2-CE 4.12Å; F684-M693 HydrophobicContact CE2-CB 3.96Å; R689-M693 HydrophobicContact CB-CG 4.43Å; R689-M693 HydrophobicContact CB-SD 3.94Å; R689-M693 PolarHBondContact O-N 3.38Å; R689-M693 VanDerWaalsContact O-N 3.15Å; R690-M693 CarbonylContact O-C 3.38Å; R690-M693 PolarHBondContact O-N 3.23Å; M693-D695 VanDerWaalsContact C-N 3.35Å; M693-D695 PolarHBondContact O-N 2.69Å; M693-R696 PolarHBondContact O-N 3.45Å; M693-R696 VanDerWaalsContact O-N 3.14Å; M693-D697 PolarHBondContact O-N 3.38Å
694Y95.2Very high92.2Very high4 Ų419 Ų192%0.0169%0.089CC..Hα-helixtrans-52.4-47.4-175.8179.1-112.1000113.5F684 R685 R690 R696 D697 I698 I755 W841F684-Y694 HydrophobicContact CD1-CD2 4.18Å; F684-Y694 AromaticContact CE1-CD2 3.47Å; F684-Y694 HydrophobicContact CE1-CD2 3.47Å; F684-Y694 VanDerWaalsContact CE1-CD2 3.47Å; F684-Y694 HydrophobicContact CE1-CE2 4.33Å; F684-Y694 HydrophobicContact CE1-CG 4.32Å; F684-Y694 AromaticContact CZ-CD2 3.79Å; F684-Y694 HydrophobicContact CZ-CD2 3.79Å; F684-Y694 HydrophobicContact CZ-CG 4.41Å; R685-Y694 HydrophobicContact CG-CD2 4.28Å; R685-Y694 HydrophobicContact CG-CG 4.37Å; R690-Y694 PolarHBondContact O-N 3.46Å; Y694-R696 VanDerWaalsContact C-N 3.32Å; Y694-R696 PolarHBondContact O-N 3.2Å; Y694-D697 PolarHBondContact O-N 2.92Å; Y694-I698 HydrophobicContact CE1-CG1 4.35Å; Y694-I698 HydrophobicContact CE2-CD1 4.14Å; Y694-I698 HydrophobicContact CE2-CG1 4.12Å; Y694-I698 WeakPolarHBondContact O-CG1 3Å; Y694-I698 PolarHBondContact O-N 3.47Å; Y694-I755 WeakPolarHBondContact OH-CD1 3.34Å; Y694-W841 HydrophobicContact CD1-CE3 4.3Å; Y694-W841 HydrophobicContact CE1-CB 4.33Å; Y694-W841 HydrophobicContact CE1-CD2 4.21Å; Y694-W841 AromaticContact CE1-CE3 3.7Å; Y694-W841 HydrophobicContact CE1-CE3 3.7Å; Y694-W841 HydrophobicContact CE1-CZ3 4.39Å
695D94.6Very high92.2Very high32 Ų3219.3 Ų19.317%0.1719%0.091CC..Hα-helixtrans-65.1-38.5-177.1-64.210000111.1R690 M693 I698 L699 W841 H842R690-D695 WeakPolarHBondContact O-CB 3.09Å; R690-D695 PolarHBondContact O-N 3.44Å; M693-D695 VanDerWaalsContact C-N 3.35Å; M693-D695 PolarHBondContact O-N 2.69Å; D695-I698 PolarHBondContact O-N 2.99Å; D695-L699 WeakPolarHBondContact O-CB 3.12Å; D695-L699 PolarHBondContact O-N 3.38Å; D695-W841 HydrophobicContact CB-CH2 3.82Å; D695-W841 HydrophobicContact CB-CZ3 4.26Å; D695-H842 IonicContact OD1-CD2 3.41Å; D695-H842 IonicContact OD1-CE1 2.86Å; D695-H842 IonicContact OD1-NE2 3.61Å; D695-H842 PolarHBondContact OD1-NE2 3.5Å; D695-H842 IonicContact OD2-CE1 2.9Å; D695-H842 PolarHBondContact OD2-CE1 3.31Å; D695-H842 IonicContact OD2-NE2 3.71Å; D695-H842 PolarHBondContact OD2-NE2 2.92Å
696R95.4Very high92.2Very high37 Ų3717.4 Ų17.414%0.149%0.087CC..Hα-helixtrans-69.1-34.5176.2-62.1-61.7-173.6-161.2-3.4112.3H557 R619 A691 E692 M693 Y694 L699 L700H557-R696 PolarHBondContact CE1-NH2 3.4Å; H557-R696 PolarHBondContact ND1-NH2 3.01Å; R619-R696 HydrophobicContact CB-CB 3.82Å; R619-R696 HydrophobicContact CB-CG 4.18Å; R619-R696 HydrophobicContact CG-CB 3.71Å; A691-R696 WeakPolarHBondContact O-CG 3.33Å; E692-R696 IonicContact OE1-CZ 2.96Å; E692-R696 IonicContact OE1-NE 2.77Å; E692-R696 IonicContact OE1-NH2 2.69Å; E692-R696 PolarHBondContact OE1-NH2 2.95Å; E692-R696 IonicContact OE2-CZ 2.84Å; E692-R696 IonicContact OE2-NE 3.67Å; E692-R696 PolarHBondContact OE2-NE 3.24Å; E692-R696 IonicContact OE2-NH2 2.85Å; M693-R696 PolarHBondContact O-N 3.45Å; M693-R696 VanDerWaalsContact O-N 3.14Å; Y694-R696 VanDerWaalsContact C-N 3.32Å; Y694-R696 PolarHBondContact O-N 3.2Å; R696-L699 PolarHBondContact O-N 3.25Å; R696-L700 WeakPolarHBondContact O-CB 3.39Å; R696-L700 PolarHBondContact O-N 3.1Å
697D97Very high92Very high0 Ų018 Ų180%09%0.089CC..Hα-helixtrans-70.1-40.1177-72.8-1.3000111.2R619 A655 F684 M693 Y694 L700 L701R619-D697 IonicContact CZ-OD1 3.22Å; R619-D697 IonicContact CZ-OD2 3.18Å; R619-D697 IonicContact NE-OD1 3.55Å; R619-D697 PolarHBondContact NE-OD1 3.48Å; R619-D697 IonicContact NE-OD2 2.78Å; R619-D697 IonicContact NH2-OD1 3.14Å; R619-D697 PolarHBondContact NH2-OD1 2.94Å; R619-D697 IonicContact NH2-OD2 3.43Å; R619-D697 PolarHBondContact NH2-OD2 3.33Å; A655-D697 HydrophobicContact CB-CB 3.77Å; F684-D697 VanDerWaalsContact CE2-OD2 3.31Å; F684-D697 WeakPolarHBondContact CE2-OD2 3.24Å; F684-D697 HydrophobicContact CZ-CB 4.29Å; F684-D697 VanDerWaalsContact CZ-OD2 3.29Å; F684-D697 WeakPolarHBondContact CZ-OD2 3.21Å; M693-D697 PolarHBondContact O-N 3.38Å; Y694-D697 PolarHBondContact O-N 2.92Å; D697-L700 WeakPolarHBondContact O-CB 3.39Å; D697-L700 PolarHBondContact O-N 3.42Å; D697-L701 WeakPolarHBondContact O-CG 3.47Å; D697-L701 PolarHBondContact O-N 2.94Å; D697-L701 VanDerWaalsContact O-N 3.09Å
698I97Very high92.3Very high1 Ų116.6 Ų16.61%0.0058%0.084CC..Hα-helixtrans-64.1-44.3172-63.3-54.9000110.9Y694 D695 L700 L701 Q702 L752 I755 W841Y694-I698 HydrophobicContact CE1-CG1 4.35Å; Y694-I698 HydrophobicContact CE2-CD1 4.14Å; Y694-I698 HydrophobicContact CE2-CG1 4.12Å; Y694-I698 WeakPolarHBondContact O-CG1 3Å; Y694-I698 PolarHBondContact O-N 3.47Å; D695-I698 PolarHBondContact O-N 2.99Å; I698-L700 VanDerWaalsContact C-N 3.26Å; I698-L700 PolarHBondContact O-N 3.01Å; I698-L701 HydrophobicContact CD1-CD1 4.38Å; I698-L701 WeakPolarHBondContact O-CB 3.48Å; I698-L701 PolarHBondContact O-N 3.07Å; I698-L701 VanDerWaalsContact O-N 3.15Å; I698-Q702 WeakPolarHBondContact O-CG 3.36Å; I698-Q702 PolarHBondContact O-N 3.49Å; I698-L752 HydrophobicContact CD1-CD1 3.83Å; I698-I755 HydrophobicContact CD1-CG2 3.75Å; I698-I755 HydrophobicContact CG1-CG2 3.93Å; I698-I755 HydrophobicContact CG2-CG2 3.81Å; I698-W841 HydrophobicContact CB-CE3 4.45Å; I698-W841 HydrophobicContact CB-CZ3 3.92Å; I698-W841 HydrophobicContact CG1-CE3 4.12Å; I698-W841 HydrophobicContact CG1-CZ3 4.01Å; I698-W841 HydrophobicContact CG2-CE3 4.35Å; I698-W841 HydrophobicContact CG2-CZ3 3.97Å
699L95.6Very high92.7Very high8 Ų817.3 Ų17.34%0.0429%0.09CC..Hα-helixtrans-57.5-41.1174.5175.261.1000111.5A622 L626 D695 R696 L701 Q702 I703 V765 F881A622-L699 HydrophobicContact CB-CD2 3.99Å; A622-L699 HydrophobicContact CB-CG 4.15Å; A622-L699 VanDerWaalsContact O-CD2 3.28Å; A622-L699 WeakPolarHBondContact O-CD2 3.17Å; L626-L699 HydrophobicContact CD1-CD1 4.4Å; L626-L699 HydrophobicContact CD1-CD2 3.63Å; L626-L699 HydrophobicContact CD2-CD1 3.86Å; L626-L699 HydrophobicContact CD2-CD2 4.35Å; L626-L699 HydrophobicContact CG-CD1 4.32Å; L626-L699 HydrophobicContact CG-CD2 3.89Å; D695-L699 WeakPolarHBondContact O-CB 3.12Å; D695-L699 PolarHBondContact O-N 3.38Å; R696-L699 PolarHBondContact O-N 3.25Å; L699-L701 VanDerWaalsContact C-N 3.35Å; L699-L701 PolarHBondContact O-N 3.38Å; L699-Q702 PolarHBondContact O-N 2.9Å; L699-I703 HydrophobicContact CD1-CD1 4.16Å; L699-I703 HydrophobicContact CD1-CG1 4.22Å; L699-I703 HydrophobicContact CG-CD1 3.94Å; L699-I703 HydrophobicContact CG-CG1 4.45Å; L699-I703 VanDerWaalsContact O-CG1 3.22Å; L699-I703 WeakPolarHBondContact O-CG1 3.43Å; L699-I703 PolarHBondContact O-N 3.42Å; L699-V765 HydrophobicContact CD1-CG2 3.62Å; L699-F881 HydrophobicContact CD1-CE1 4.02Å; L699-F881 HydrophobicContact CD1-CZ 3.69Å
700L95.7Very high93.1Very high2 Ų217.4 Ų17.41%0.019%0.093CC..Hα-helixtrans-62.8-40.7176.9-168.267000112.1Q618 A622 L651 I652 A655 R696 D697 I698 I703 A704Q618-L700 HydrophobicContact CB-CD2 3.88Å; Q618-L700 HydrophobicContact CG-CD2 4.46Å; A622-L700 HydrophobicContact CB-CB 4.48Å; A622-L700 HydrophobicContact CB-CD1 4.3Å; L651-L700 HydrophobicContact CD1-CD1 3.98Å; L651-L700 HydrophobicContact CD2-CD1 4.12Å; L651-L700 HydrophobicContact CG-CD1 3.87Å; L651-L700 HydrophobicContact CG-CG 4.49Å; I652-L700 HydrophobicContact CG2-CG 4.38Å; A655-L700 HydrophobicContact CB-CD2 3.95Å; R696-L700 WeakPolarHBondContact O-CB 3.39Å; R696-L700 PolarHBondContact O-N 3.1Å; D697-L700 WeakPolarHBondContact O-CB 3.39Å; D697-L700 PolarHBondContact O-N 3.42Å; I698-L700 VanDerWaalsContact C-N 3.26Å; I698-L700 PolarHBondContact O-N 3.01Å; L700-I703 PolarHBondContact O-N 3.13Å; L700-A704 PolarHBondContact O-N 2.94Å
701L97.4Very high93.4Very high0 Ų016.9 Ų16.90%09%0.092CC..Hα-helixtrans-64.5-41.2173.8-67174.2000111.9I652 L656 Q659 D697 I698 L699 A704 A705 F713 L717 L752 V756I652-L701 HydrophobicContact CB-CD2 4Å; I652-L701 HydrophobicContact CD1-CD2 4.29Å; I652-L701 HydrophobicContact CG2-CD2 4.19Å; L656-L701 HydrophobicContact CB-CD2 4.48Å; Q659-L701 HydrophobicContact CG-CD1 4.09Å; D697-L701 WeakPolarHBondContact O-CG 3.47Å; D697-L701 PolarHBondContact O-N 2.94Å; D697-L701 VanDerWaalsContact O-N 3.09Å; I698-L701 HydrophobicContact CD1-CD1 4.38Å; I698-L701 WeakPolarHBondContact O-CB 3.48Å; I698-L701 PolarHBondContact O-N 3.07Å; I698-L701 VanDerWaalsContact O-N 3.15Å; L699-L701 VanDerWaalsContact C-N 3.35Å; L699-L701 PolarHBondContact O-N 3.38Å; L701-A704 PolarHBondContact O-N 3.46Å; L701-A705 WeakPolarHBondContact O-CB 3.22Å; L701-A705 PolarHBondContact O-N 3.27Å; L701-F713 WeakPolarHBondContact O-CE2 3.44Å; L701-L717 HydrophobicContact CD2-CD2 4.42Å; L701-L752 HydrophobicContact CD1-CD1 3.96Å; L701-L752 HydrophobicContact CD1-CD2 4.4Å; L701-V756 HydrophobicContact CB-CG2 4.25Å; L701-V756 HydrophobicContact CD1-CG2 4.45Å
702Q95.3Very high93.7Very high6 Ų617.5 Ų17.53%0.0289%0.09CC..Hα-helixtrans-63.8-44175-72.1177-37.700111.5I698 L699 A704 A705 T706 V756 E759 F881I698-Q702 WeakPolarHBondContact O-CG 3.36Å; I698-Q702 PolarHBondContact O-N 3.49Å; L699-Q702 PolarHBondContact O-N 2.9Å; Q702-A704 PolarHBondContact O-N 3.12Å; Q702-A705 WeakPolarHBondContact O-CB 3.23Å; Q702-A705 PolarHBondContact O-N 3.31Å; Q702-T706 WeakPolarHBondContact O-CG2 3.34Å; Q702-T706 PolarHBondContact O-N 2.81Å; Q702-V756 HydrophobicContact CG-CG1 4.1Å; Q702-V756 PolarHBondContact NE2-O 2.77Å; Q702-E759 PolarHBondContact NE2-O 3.41Å; Q702-F881 HydrophobicContact CB-CD1 3.99Å; Q702-F881 HydrophobicContact CB-CE1 3.82Å
703I91.9Very high94Very high4 Ų417 Ų172%0.0219%0.088CC..Hα-helixtrans-57.2-51.7174.9-69.4166.3000109A622 Y625 W638 L699 L700 A705 T706 L707 F881A622-I703 HydrophobicContact CB-CD1 4.11Å; Y625-I703 HydrophobicContact CD1-CD1 3.51Å; Y625-I703 HydrophobicContact CD1-CG1 3.57Å; Y625-I703 HydrophobicContact CD1-CG2 4.45Å; Y625-I703 HydrophobicContact CE1-CD1 4.19Å; Y625-I703 HydrophobicContact CE1-CG1 3.76Å; Y625-I703 HydrophobicContact CE1-CG2 4.15Å; Y625-I703 HydrophobicContact CE2-CG2 4.44Å; Y625-I703 HydrophobicContact CG-CD1 3.7Å; Y625-I703 HydrophobicContact CG-CG1 4.2Å; W638-I703 HydrophobicContact CH2-CG2 4.32Å; W638-I703 HydrophobicContact CZ2-CG2 4.45Å; L699-I703 HydrophobicContact CD1-CD1 4.16Å; L699-I703 HydrophobicContact CD1-CG1 4.22Å; L699-I703 HydrophobicContact CG-CD1 3.94Å; L699-I703 HydrophobicContact CG-CG1 4.45Å; L699-I703 VanDerWaalsContact O-CG1 3.22Å; L699-I703 WeakPolarHBondContact O-CG1 3.43Å; L699-I703 PolarHBondContact O-N 3.42Å; L700-I703 PolarHBondContact O-N 3.13Å; I703-A705 VanDerWaalsContact C-N 3.31Å; I703-A705 PolarHBondContact O-N 2.78Å; I703-T706 WeakPolarHBondContact O-CB 3.4Å; I703-T706 PolarHBondContact O-N 2.99Å; I703-T706 PolarHBondContact O-OG1 3.34Å; I703-L707 HydrophobicContact CG2-CD1 3.83Å; I703-L707 HydrophobicContact CG2-CG 4.44Å; I703-L707 WeakPolarHBondContact O-CG 3.25Å; I703-L707 PolarHBondContact O-N 3.17Å; I703-F881 HydrophobicContact CG1-CE1 3.85Å; I703-F881 HydrophobicContact CG1-CZ 3.83Å
704A92.5Very high94.1Very high0 Ų016.7 Ų16.70%09%0.086CC..Hα-helixtrans-63.3-34.3179.900000113.9I652 L700 L701 Q702 T706 L707 M708 F713I652-A704 HydrophobicContact CB-CB 4.47Å; I652-A704 HydrophobicContact CD1-CB 4.44Å; I652-A704 HydrophobicContact CG2-CB 3.11Å; L700-A704 PolarHBondContact O-N 2.94Å; L701-A704 PolarHBondContact O-N 3.46Å; Q702-A704 PolarHBondContact O-N 3.12Å; A704-T706 PolarHBondContact O-N 2.94Å; A704-L707 PolarHBondContact O-N 2.84Å; A704-M708 HydrophobicContact CB-SD 4.13Å; A704-M708 WeakPolarHBondContact O-CB 3.45Å; A704-M708 VanDerWaalsContact O-CG 3.28Å; A704-M708 WeakPolarHBondContact O-CG 3.44Å; A704-M708 PolarHBondContact O-N 3.12Å; A704-F713 HydrophobicContact CB-CE2 4.44Å
705A93.1Very high94.3Very high6 Ų616.5 Ų16.55%0.059%0.086CC..Hα-helixtrans-60.8-26.7172.900000112.9L701 Q702 I703 F713 V884 I887L701-A705 WeakPolarHBondContact O-CB 3.22Å; L701-A705 PolarHBondContact O-N 3.27Å; Q702-A705 WeakPolarHBondContact O-CB 3.23Å; Q702-A705 PolarHBondContact O-N 3.31Å; I703-A705 VanDerWaalsContact C-N 3.31Å; I703-A705 PolarHBondContact O-N 2.78Å; A705-F713 HydrophobicContact CB-CD1 4.08Å; A705-F713 HydrophobicContact CB-CD2 4.23Å; A705-F713 HydrophobicContact CB-CE1 3.86Å; A705-F713 HydrophobicContact CB-CE2 4.02Å; A705-F713 HydrophobicContact CB-CG 4.25Å; A705-F713 HydrophobicContact CB-CZ 3.83Å; A705-V884 HydrophobicContact CB-CG1 4.32Å; A705-V884 HydrophobicContact CB-CG2 4.07Å; A705-I887 HydrophobicContact CB-CD1 4.16Å
706T88.9Confident94.4Very high26 Ų2615 Ų1516%0.168%0.077CC..Hα-helixtrans-77.7-26.4172720000113.4Q702 I703 A704 L880 F881 V884Q702-T706 WeakPolarHBondContact O-CG2 3.34Å; Q702-T706 PolarHBondContact O-N 2.81Å; I703-T706 WeakPolarHBondContact O-CB 3.4Å; I703-T706 PolarHBondContact O-N 2.99Å; I703-T706 PolarHBondContact O-OG1 3.34Å; A704-T706 PolarHBondContact O-N 2.94Å; T706-L880 WeakPolarHBondContact CG2-O 3.38Å; T706-F881 HydrophobicContact CG2-CD1 4.08Å; T706-V884 HydrophobicContact CG2-CG2 3.63Å
707L85.7Confident94.5Very high23 Ų2313.2 Ų13.212%0.127%0.071CC..Hα-helixtrans-96.4-25.5-172.5-56.3173.5000113F635 W638 P648 I703 A704F635-L707 HydrophobicContact CD2-CB 3.84Å; F635-L707 HydrophobicContact CD2-CD2 3.63Å; F635-L707 HydrophobicContact CD2-CG 4.21Å; F635-L707 HydrophobicContact CE2-CB 3.74Å; F635-L707 HydrophobicContact CE2-CD1 4.46Å; F635-L707 HydrophobicContact CE2-CD2 4.12Å; F635-L707 HydrophobicContact CE2-CG 4.28Å; W638-L707 HydrophobicContact CH2-CD1 3.58Å; W638-L707 HydrophobicContact CZ2-CD1 3.45Å; W638-L707 VanDerWaalsContact CZ2-CD1 3.45Å; W638-L707 HydrophobicContact CZ2-CD2 3.65Å; W638-L707 HydrophobicContact CZ2-CG 4.18Å; W638-L707 HydrophobicContact CZ3-CD1 4.27Å; P648-L707 HydrophobicContact CB-CB 4.06Å; P648-L707 HydrophobicContact CB-CD1 4.46Å; P648-L707 HydrophobicContact CG-CB 3.79Å; P648-L707 HydrophobicContact CG-CD1 4.32Å; I703-L707 HydrophobicContact CG2-CD1 3.83Å; I703-L707 HydrophobicContact CG2-CG 4.44Å; I703-L707 WeakPolarHBondContact O-CG 3.25Å; I703-L707 PolarHBondContact O-N 3.17Å; A704-L707 PolarHBondContact O-N 2.84Å
708M90Very high94.5Very high20 Ų2013.2 Ų13.210%0.0997%0.071CC..SBendtrans-93.1158-175.6-67.6178.561.800112.2P648 V649 I652 A704 T710 F713P648-M708 HydrophobicContact CB-CG 3.53Å; P648-M708 HydrophobicContact CB-SD 4.08Å; P648-M708 HydrophobicContact CG-CG 4.34Å; V649-M708 HydrophobicContact CB-CE 4.43Å; V649-M708 HydrophobicContact CG2-CE 3.6Å; V649-M708 HydrophobicContact CG2-SD 4.35Å; I652-M708 HydrophobicContact CD1-SD 4.23Å; A704-M708 HydrophobicContact CB-SD 4.13Å; A704-M708 WeakPolarHBondContact O-CB 3.45Å; A704-M708 VanDerWaalsContact O-CG 3.28Å; A704-M708 WeakPolarHBondContact O-CG 3.44Å; A704-M708 PolarHBondContact O-N 3.12Å; M708-T710 PolarHBondContact O-N 3.18Å; M708-F713 HydrophobicContact CB-CB 4.15Å; M708-F713 HydrophobicContact CE-CB 4.24Å; M708-F713 HydrophobicContact CE-CD2 4.5Å; M708-F713 HydrophobicContact SD-CB 4.47Å; M708-F713 HydrophobicContact SD-CD2 3.93Å
709N92.3Very high94.4Very high102 Ų10213.6 Ų13.655%0.5457%0.074SC..  trans-60.1132.7160.5176-80.4000109.1D711 H712 F713N709-D711 PolarHBondContact O-N 3.01Å; N709-D711 WeakPolarHBondContact OD1-CB 3.4Å; N709-D711 PolarHBondContact OD1-N 3.35Å; N709-H712 HydrophobicContact CB-CB 4.03Å; N709-H712 WeakPolarHBondContact O-CB 3.35Å; N709-H712 PolarHBondContact O-N 2.64Å; N709-H712 VanDerWaalsContact O-N 3.12Å; N709-H712 PolarHBondContact OD1-N 3.04Å; N709-F713 PolarHBondContact O-N 3.03Å
710T93.9Very high94.4Very high20 Ų2013.4 Ų13.412%0.1237%0.073CC..Hα-helixtrans-61-41.5-172.8-44.70000113.5M708 H712 F713 V714 R886 I887 C890M708-T710 PolarHBondContact O-N 3.18Å; T710-H712 VanDerWaalsContact C-N 3.34Å; T710-F713 PolarHBondContact O-N 3.28Å; T710-V714 WeakPolarHBondContact O-CG2 3.33Å; T710-V714 PolarHBondContact O-N 2.89Å; T710-V714 VanDerWaalsContact O-N 3.11Å; T710-R886 HydrophobicContact CG2-CB 4.04Å; T710-I887 VanDerWaalsContact CG2-CA 3.43Å; T710-I887 HydrophobicContact CG2-CB 4.2Å; T710-I887 HydrophobicContact CG2-CG1 3.73Å; T710-C890 HydrophobicContact CG2-CB 3.68Å
711D95.4Very high94.5Very high17 Ų1713.8 Ų13.89%0.0918%0.075CC..Hα-helixtrans-66.1-40.2176.6-69.8-54.5000110.3K597 N709 V714 I715 C890 D891 S892K597-D711 HydrophobicContact CD-CB 4.34Å; K597-D711 WeakPolarHBondContact CE-OD2 3.49Å; K597-D711 HydrophobicContact CG-CB 4.18Å; K597-D711 IonicContact NZ-OD2 3.23Å; K597-D711 PolarHBondContact NZ-OD2 2.53Å; N709-D711 PolarHBondContact O-N 3.01Å; N709-D711 WeakPolarHBondContact OD1-CB 3.4Å; N709-D711 PolarHBondContact OD1-N 3.35Å; D711-V714 PolarHBondContact O-N 3.36Å; D711-I715 WeakPolarHBondContact O-CB 3.32Å; D711-I715 WeakPolarHBondContact O-CD1 3.42Å; D711-I715 WeakPolarHBondContact O-CG1 3.4Å; D711-I715 PolarHBondContact O-N 2.83Å; D711-C890 WeakPolarHBondContact OD1-CB 3.25Å; D711-D891 PolarHBondContact OD1-N 3.41Å; D711-S892 PolarHBondContact OD1-N 2.86Å; D711-S892 VanDerWaalsContact OD1-N 3.13Å; D711-S892 PolarHBondContact OD1-OG 2.93Å
712H96.6Very high94.3Very high41 Ų4117.9 Ų17.919%0.1910%0.097CC..Hα-helixtrans-62.6-44.7175.7-171.1176.1000111.4V599 S600 N709 T710 V714 I715 Q716V599-H712 HydrophobicContact CG1-CB 4.14Å; S600-H712 PolarHBondContact O-NE2 2.68Å; S600-H712 VanDerWaalsContact O-NE2 3.09Å; N709-H712 HydrophobicContact CB-CB 4.03Å; N709-H712 WeakPolarHBondContact O-CB 3.35Å; N709-H712 PolarHBondContact O-N 2.64Å; N709-H712 VanDerWaalsContact O-N 3.12Å; N709-H712 PolarHBondContact OD1-N 3.04Å; T710-H712 VanDerWaalsContact C-N 3.34Å; H712-V714 PolarHBondContact O-N 2.64Å; H712-I715 PolarHBondContact O-N 2.81Å; H712-Q716 VanDerWaalsContact O-CB 3.26Å; H712-Q716 WeakPolarHBondContact O-CB 3.39Å; H712-Q716 PolarHBondContact O-N 3.21Å
713F96.9Very high94.3Very high1 Ų117.6 Ų17.60%0.00410%0.095CC..Hα-helixtrans-57.9-51.1176.5178.2-101000111.7I652 L701 A704 A705 M708 N709 T710 I715 Q716 L717 I887I652-F713 HydrophobicContact CD1-CD2 4.45Å; I652-F713 HydrophobicContact CD1-CE2 4.28Å; L701-F713 WeakPolarHBondContact O-CE2 3.44Å; A704-F713 HydrophobicContact CB-CE2 4.44Å; A705-F713 HydrophobicContact CB-CD1 4.08Å; A705-F713 HydrophobicContact CB-CD2 4.23Å; A705-F713 HydrophobicContact CB-CE1 3.86Å; A705-F713 HydrophobicContact CB-CE2 4.02Å; A705-F713 HydrophobicContact CB-CG 4.25Å; A705-F713 HydrophobicContact CB-CZ 3.83Å; M708-F713 HydrophobicContact CB-CB 4.15Å; M708-F713 HydrophobicContact CE-CB 4.24Å; M708-F713 HydrophobicContact CE-CD2 4.5Å; M708-F713 HydrophobicContact SD-CB 4.47Å; M708-F713 HydrophobicContact SD-CD2 3.93Å; N709-F713 PolarHBondContact O-N 3.03Å; T710-F713 PolarHBondContact O-N 3.28Å; F713-I715 PolarHBondContact O-N 2.88Å; F713-Q716 PolarHBondContact O-N 3.15Å; F713-L717 HydrophobicContact CD1-CD1 4.22Å; F713-L717 HydrophobicContact CE1-CD1 3.6Å; F713-L717 HydrophobicContact CE1-CG 4.33Å; F713-L717 HydrophobicContact CZ-CD1 3.81Å; F713-L717 HydrophobicContact CZ-CD2 4.43Å; F713-L717 HydrophobicContact CZ-CG 4.31Å; F713-L717 WeakPolarHBondContact O-CG 3.44Å; F713-L717 PolarHBondContact O-N 3.12Å; F713-L717 VanDerWaalsContact O-N 3.08Å; F713-I887 HydrophobicContact CD1-CD1 3.81Å; F713-I887 HydrophobicContact CD1-CG1 4.32Å; F713-I887 HydrophobicContact CE1-CD1 3.67Å
714V96.9Very high94.4Very high0 Ų017.9 Ų17.90%010%0.096CC..Hα-helixtrans-63.1-43.9-179.9174.50000111.5T710 D711 H712 L717 I718 I887T710-V714 WeakPolarHBondContact O-CG2 3.33Å; T710-V714 PolarHBondContact O-N 2.89Å; T710-V714 VanDerWaalsContact O-N 3.11Å; D711-V714 PolarHBondContact O-N 3.36Å; H712-V714 PolarHBondContact O-N 2.64Å; V714-L717 PolarHBondContact O-N 2.87Å; V714-I718 HydrophobicContact CG1-CD1 3.85Å; V714-I718 HydrophobicContact CG1-CG1 4.46Å; V714-I718 VanDerWaalsContact O-CG1 3.31Å; V714-I718 WeakPolarHBondContact O-CG1 3.31Å; V714-I718 PolarHBondContact O-N 3.46Å; V714-I887 HydrophobicContact CG2-CG1 4.41Å; V714-I887 HydrophobicContact CG2-CG2 3.92Å
715I97.7Very high94.4Very high0 Ų022.4 Ų22.40%012%0.121CC..Hα-helixtrans-69.5-33.5179.4-62.3165.6000111.6I592 F594 K597 V599 D711 H712 F713 L717 I718 S719 S892I592-I715 HydrophobicContact CB-CG2 3.97Å; I592-I715 HydrophobicContact CG2-CG2 3.66Å; F594-I715 HydrophobicContact CB-CD1 4.22Å; F594-I715 HydrophobicContact CB-CG1 4.06Å; F594-I715 HydrophobicContact CB-CG2 4.37Å; F594-I715 HydrophobicContact CD1-CG1 4.28Å; K597-I715 HydrophobicContact CB-CD1 3.67Å; V599-I715 HydrophobicContact CG1-CD1 4.09Å; V599-I715 HydrophobicContact CG2-CB 3.56Å; V599-I715 HydrophobicContact CG2-CD1 3.69Å; V599-I715 HydrophobicContact CG2-CG1 4.24Å; V599-I715 HydrophobicContact CG2-CG2 3.32Å; D711-I715 WeakPolarHBondContact O-CB 3.32Å; D711-I715 WeakPolarHBondContact O-CD1 3.42Å; D711-I715 WeakPolarHBondContact O-CG1 3.4Å; D711-I715 PolarHBondContact O-N 2.83Å; H712-I715 PolarHBondContact O-N 2.81Å; F713-I715 PolarHBondContact O-N 2.88Å; I715-L717 VanDerWaalsContact C-N 3.34Å; I715-I718 PolarHBondContact O-N 3.23Å; I715-S719 VanDerWaalsContact O-CB 3.26Å; I715-S719 WeakPolarHBondContact O-CB 3.4Å; I715-S719 PolarHBondContact O-N 3.44Å; I715-S892 VanDerWaalsContact CD1-OG 3.31Å; I715-S892 WeakPolarHBondContact CD1-OG 3.15Å; I715-S892 WeakPolarHBondContact CG1-OG 3.33Å
716Q97.4Very high94.5Very high0 Ų022.2 Ų22.20%012%0.119CC..Hα-helixtrans-61.9-43.2172.7178.162.256.900110.8I602 V649 L656 H712 F713 S719 S720I602-Q716 PolarHBondContact O-NE2 3.37Å; I602-Q716 VanDerWaalsContact O-NE2 3.12Å; V649-Q716 HydrophobicContact CG1-CG 4.27Å; L656-Q716 HydrophobicContact CD2-CG 4.07Å; H712-Q716 VanDerWaalsContact O-CB 3.26Å; H712-Q716 WeakPolarHBondContact O-CB 3.39Å; H712-Q716 PolarHBondContact O-N 3.21Å; F713-Q716 PolarHBondContact O-N 3.15Å; Q716-S719 PolarHBondContact O-N 2.82Å; Q716-S720 PolarHBondContact NE2-OG 3.26Å; Q716-S720 VanDerWaalsContact NE2-OG 3.08Å; Q716-S720 WeakPolarHBondContact O-CB 3.42Å; Q716-S720 PolarHBondContact O-N 3.1Å; Q716-S720 PolarHBondContact O-OG 3.4Å; Q716-S720 VanDerWaalsContact O-OG 3.12Å
717L97.4Very high94.7Very high0 Ų021 Ų210%011%0.111CC..Hα-helixtrans-62.8-48.5174.2-61.6-177.8000111.2L656 L701 F713 V714 I715 S719 S720 F721 F749 L753L656-L717 HydrophobicContact CD1-CD2 3.36Å; L656-L717 HydrophobicContact CD2-CD2 4.01Å; L656-L717 HydrophobicContact CG-CD2 4.3Å; L701-L717 HydrophobicContact CD2-CD2 4.42Å; F713-L717 HydrophobicContact CD1-CD1 4.22Å; F713-L717 HydrophobicContact CE1-CD1 3.6Å; F713-L717 HydrophobicContact CE1-CG 4.33Å; F713-L717 HydrophobicContact CZ-CD1 3.81Å; F713-L717 HydrophobicContact CZ-CD2 4.43Å; F713-L717 HydrophobicContact CZ-CG 4.31Å; F713-L717 WeakPolarHBondContact O-CG 3.44Å; F713-L717 PolarHBondContact O-N 3.12Å; F713-L717 VanDerWaalsContact O-N 3.08Å; V714-L717 PolarHBondContact O-N 2.87Å; I715-L717 VanDerWaalsContact C-N 3.34Å; L717-S719 VanDerWaalsContact C-N 3.29Å; L717-S719 PolarHBondContact O-N 3.4Å; L717-S720 PolarHBondContact O-N 3.12Å; L717-F721 VanDerWaalsContact O-CD2 3.26Å; L717-F721 WeakPolarHBondContact O-CD2 3.23Å; L717-F721 PolarHBondContact O-N 3.14Å; L717-F721 VanDerWaalsContact O-N 3.11Å; L717-F749 HydrophobicContact CB-CD2 4.42Å; L717-F749 HydrophobicContact CB-CE2 3.71Å; L717-L753 HydrophobicContact CD1-CD2 4.01Å
718I96.9Very high95Very high0 Ų021.4 Ų21.40%012%0.116CC..Hα-helixtrans-57.1-44.5178.3-70.1170.4000111.1F594 V714 I715 F721 D722 L723 Q724 F749F594-I718 HydrophobicContact CD1-CD1 3.83Å; F594-I718 HydrophobicContact CD2-CG2 4.4Å; F594-I718 HydrophobicContact CE1-CD1 3.39Å; F594-I718 HydrophobicContact CE2-CD1 4.31Å; F594-I718 HydrophobicContact CE2-CG2 4.31Å; F594-I718 HydrophobicContact CG-CD1 4.45Å; F594-I718 HydrophobicContact CZ-CD1 3.67Å; V714-I718 HydrophobicContact CG1-CD1 3.85Å; V714-I718 HydrophobicContact CG1-CG1 4.46Å; V714-I718 VanDerWaalsContact O-CG1 3.31Å; V714-I718 WeakPolarHBondContact O-CG1 3.31Å; V714-I718 PolarHBondContact O-N 3.46Å; I715-I718 PolarHBondContact O-N 3.23Å; I718-F721 PolarHBondContact O-N 3.45Å; I718-D722 PolarHBondContact O-N 2.98Å; I718-L723 HydrophobicContact CG2-CB 4.16Å; I718-L723 PolarHBondContact O-N 3.44Å; I718-Q724 HydrophobicContact CG2-CB 4.05Å; I718-F749 HydrophobicContact CD1-CZ 4.18Å; I718-F749 HydrophobicContact CG1-CE1 4.01Å; I718-F749 HydrophobicContact CG1-CE2 3.9Å; I718-F749 HydrophobicContact CG1-CZ 3.4Å
719S96Very high95.1Very high10 Ų1023 Ų237%0.0712%0.123CC..Hα-helixtrans-66-39.1179.6-178.10000112.5I715 Q716 L717 F721 D722I715-S719 VanDerWaalsContact O-CB 3.26Å; I715-S719 WeakPolarHBondContact O-CB 3.4Å; I715-S719 PolarHBondContact O-N 3.44Å; Q716-S719 PolarHBondContact O-N 2.82Å; L717-S719 VanDerWaalsContact C-N 3.29Å; L717-S719 PolarHBondContact O-N 3.4Å; S719-F721 VanDerWaalsContact C-N 3.3Å; S719-F721 PolarHBondContact O-N 3.23Å; S719-D722 PolarHBondContact O-N 2.99Å
720S95.5Very high94.8Very high4 Ų425 Ų253%0.02813%0.134CC..Hα-helixtrans-71.7-25.6178.9-65.40000112.9L656 V660 Q716 L717 D722L656-S720 VanDerWaalsContact CD2-OG 3.25Å; L656-S720 WeakPolarHBondContact CD2-OG 3.45Å; V660-S720 WeakPolarHBondContact CG2-O 3.26Å; Q716-S720 PolarHBondContact NE2-OG 3.26Å; Q716-S720 VanDerWaalsContact NE2-OG 3.08Å; Q716-S720 WeakPolarHBondContact O-CB 3.42Å; Q716-S720 PolarHBondContact O-N 3.1Å; Q716-S720 PolarHBondContact O-OG 3.4Å; Q716-S720 VanDerWaalsContact O-OG 3.12Å; L717-S720 PolarHBondContact O-N 3.12Å; S720-D722 VanDerWaalsContact C-N 3.3Å
721F96.2Very high94.6Very high9 Ų926.9 Ų26.94%0.03914%0.139CC..THydrogen-bonded Turntrans-85.6-0.5171.7-80.3-107.8000113.1L656 Q659 V660 A663 L717 I718 S719 L723 I745 F749 L752L656-F721 HydrophobicContact CD1-CE2 4.13Å; Q659-F721 HydrophobicContact CB-CZ 4.41Å; V660-F721 HydrophobicContact CG2-CD2 3.58Å; V660-F721 HydrophobicContact CG2-CE2 3.61Å; V660-F721 HydrophobicContact CG2-CG 4.09Å; V660-F721 HydrophobicContact CG2-CZ 4.13Å; A663-F721 HydrophobicContact CB-CD1 4.38Å; A663-F721 HydrophobicContact CB-CE1 3.64Å; A663-F721 HydrophobicContact CB-CZ 4.45Å; L717-F721 VanDerWaalsContact O-CD2 3.26Å; L717-F721 WeakPolarHBondContact O-CD2 3.23Å; L717-F721 PolarHBondContact O-N 3.14Å; L717-F721 VanDerWaalsContact O-N 3.11Å; I718-F721 PolarHBondContact O-N 3.45Å; S719-F721 VanDerWaalsContact C-N 3.3Å; S719-F721 PolarHBondContact O-N 3.23Å; F721-L723 HydrophobicContact CB-CD1 3.81Å; F721-L723 HydrophobicContact CB-CG 3.88Å; F721-L723 PolarHBondContact O-N 3.08Å; F721-I745 HydrophobicContact CB-CG2 4.23Å; F721-I745 HydrophobicContact CD1-CG2 3.7Å; F721-I745 HydrophobicContact CG-CG2 4.47Å; F721-F749 HydrophobicContact CD1-CB 3.87Å; F721-F749 HydrophobicContact CD2-CD2 4.19Å; F721-F749 HydrophobicContact CE1-CB 4.1Å; F721-F749 HydrophobicContact CE2-CD2 4.46Å; F721-F749 HydrophobicContact CG-CB 4.24Å; F721-F749 HydrophobicContact CG-CD2 4.3Å; F721-L752 HydrophobicContact CE2-CD2 3.9Å; F721-L752 HydrophobicContact CZ-CD2 3.93Å
722D94.3Very high94.1Very high86 Ų8634 Ų3446%0.4617%0.172SC..THydrogen-bonded Turntrans55.344.6-176.2-161.730000114I718 S719 S720 Q724I718-D722 PolarHBondContact O-N 2.98Å; S719-D722 PolarHBondContact O-N 2.99Å; S720-D722 VanDerWaalsContact C-N 3.3Å; D722-Q724 PolarHBondContact OD1-NE2 2.95Å
723L95.5Very high93.5Very high0 Ų036.3 Ų36.30%018%0.183CC..  trans-110-1.9-175.6-61.8175.6000114.3I718 F721 D725 F726 L727 I745 T746 F749I718-L723 HydrophobicContact CG2-CB 4.16Å; I718-L723 PolarHBondContact O-N 3.44Å; F721-L723 HydrophobicContact CB-CD1 3.81Å; F721-L723 HydrophobicContact CB-CG 3.88Å; F721-L723 PolarHBondContact O-N 3.08Å; L723-D725 VanDerWaalsContact C-N 3.32Å; L723-D725 PolarHBondContact O-N 3.12Å; L723-F726 HydrophobicContact CD2-CD1 4.27Å; L723-F726 PolarHBondContact O-N 3.4Å; L723-L727 HydrophobicContact CB-CD1 3.5Å; L723-L727 HydrophobicContact CB-CG 4.06Å; L723-L727 HydrophobicContact CD1-CD1 3.96Å; L723-L727 HydrophobicContact CG-CD1 4.28Å; L723-L727 VanDerWaalsContact O-CB 3.31Å; L723-L727 WeakPolarHBondContact O-CB 3.41Å; L723-L727 WeakPolarHBondContact O-CG 3.47Å; L723-L727 PolarHBondContact O-N 2.83Å; L723-I745 HydrophobicContact CD1-CG2 4.24Å; L723-I745 HydrophobicContact CD2-CB 4.39Å; L723-I745 HydrophobicContact CD2-CG2 4.01Å; L723-I745 HydrophobicContact CG-CG2 4.29Å; L723-T746 WeakPolarHBondContact CD2-OG1 3.3Å; L723-F749 HydrophobicContact CD1-CB 3.78Å; L723-F749 HydrophobicContact CD1-CD1 4.1Å; L723-F749 HydrophobicContact CD1-CG 3.94Å
724Q94.3Very high92.8Very high10 Ų1040.8 Ų40.85%0.04721%0.21CC..THydrogen-bonded Turntrans-58.8-41.5-174.364.2-71.9-21.800113I592 F594 I718 D722I592-Q724 HydrophobicContact CG2-CB 3.85Å; I592-Q724 HydrophobicContact CG2-CG 4.1Å; F594-Q724 HydrophobicContact CD2-CB 4.44Å; I718-Q724 HydrophobicContact CG2-CB 4.05Å; D722-Q724 PolarHBondContact OD1-NE2 2.95Å
725D92.2Very high91.9Very high96 Ų9651.3 Ų51.351%0.51325%0.25SC..THydrogen-bonded Turntrans-78-46.3179.9-61.3-55.6000109.9L723 L727 S728 Y731L723-D725 VanDerWaalsContact C-N 3.32Å; L723-D725 PolarHBondContact O-N 3.12Å; D725-L727 VanDerWaalsContact C-N 3.29Å; D725-L727 PolarHBondContact O-N 2.63Å; D725-S728 VanDerWaalsContact O-CB 3.25Å; D725-S728 WeakPolarHBondContact O-CB 3.44Å; D725-S728 PolarHBondContact O-N 3.27Å; D725-S728 VanDerWaalsContact O-N 3.16Å; D725-Y731 WeakPolarHBondContact O-CD2 3.28Å
726F93.6Very high91.1Very high1 Ų153.4 Ų53.40%0.00426%0.264CS..THydrogen-bonded Turntrans-59.7-34.2179.1-178.7-104.3000113.3L723 Y731 E739 Q742 A743 T746 R903 L910L723-F726 HydrophobicContact CD2-CD1 4.27Å; L723-F726 PolarHBondContact O-N 3.4Å; F726-Y731 HydrophobicContact CD2-CE1 4.05Å; F726-Y731 HydrophobicContact CD2-CE2 4.38Å; F726-Y731 AromaticContact CD2-CZ 3.95Å; F726-Y731 HydrophobicContact CE2-CE1 4.42Å; F726-E739 HydrophobicContact CE2-CB 4.48Å; F726-E739 HydrophobicContact CE2-CG 4.49Å; F726-Q742 HydrophobicContact CB-CB 4.5Å; F726-Q742 HydrophobicContact CD1-CB 4.08Å; F726-Q742 HydrophobicContact CD2-CB 3.72Å; F726-Q742 HydrophobicContact CD2-CG 4.36Å; F726-Q742 HydrophobicContact CE1-CB 4.21Å; F726-Q742 HydrophobicContact CE2-CB 3.83Å; F726-Q742 HydrophobicContact CG-CB 3.84Å; F726-Q742 HydrophobicContact CG-CG 4.45Å; F726-Q742 HydrophobicContact CZ-CB 4.09Å; F726-A743 HydrophobicContact CZ-CB 4.29Å; F726-T746 WeakPolarHBondContact CE1-OG1 3.45Å; F726-R903 PolarHBondContact O-NH1 3.46Å; F726-R903 PolarHBondContact O-NH2 3.39Å; F726-L910 HydrophobicContact CE2-CB 4.36Å; F726-L910 HydrophobicContact CE2-CD1 4.29Å; F726-L910 HydrophobicContact CE2-CD2 4.05Å; F726-L910 HydrophobicContact CE2-CG 4.48Å; F726-L910 HydrophobicContact CZ-CB 4.08Å
727L94.3Very high90.3Very high1 Ų162 Ų621%0.00531%0.305CS..THydrogen-bonded Turntrans-96.511.5-178.5-62.8169.6000113.4F594 L723 D725 T746 L896 T899F594-L727 HydrophobicContact CE2-CB 3.87Å; F594-L727 HydrophobicContact CZ-CB 4.08Å; L723-L727 HydrophobicContact CB-CD1 3.5Å; L723-L727 HydrophobicContact CB-CG 4.06Å; L723-L727 HydrophobicContact CD1-CD1 3.96Å; L723-L727 HydrophobicContact CG-CD1 4.28Å; L723-L727 VanDerWaalsContact O-CB 3.31Å; L723-L727 WeakPolarHBondContact O-CB 3.41Å; L723-L727 WeakPolarHBondContact O-CG 3.47Å; L723-L727 PolarHBondContact O-N 2.83Å; D725-L727 VanDerWaalsContact C-N 3.29Å; D725-L727 PolarHBondContact O-N 2.63Å; L727-T746 HydrophobicContact CD1-CG2 4.47Å; L727-T746 HydrophobicContact CD2-CG2 3.92Å; L727-L896 HydrophobicContact CB-CD1 4.49Å; L727-L896 HydrophobicContact CD1-CD1 3.6Å; L727-L896 HydrophobicContact CD2-CD1 4.1Å; L727-L896 HydrophobicContact CG-CD1 4.28Å; L727-T899 WeakPolarHBondContact O-CG2 3.33Å; L727-T899 PolarHBondContact O-OG1 3.35Å
728S92.6Very high89.6Confident31 Ų3168 Ų6822%0.21733%0.333CS..SBendtrans-73.1143.6171.9-1770000112D725 N730 Y731 R903D725-S728 VanDerWaalsContact O-CB 3.25Å; D725-S728 WeakPolarHBondContact O-CB 3.44Å; D725-S728 PolarHBondContact O-N 3.27Å; D725-S728 VanDerWaalsContact O-N 3.16Å; S728-N730 PolarHBondContact O-N 3.27Å; S728-N730 PolarHBondContact OG-N 3.36Å; S728-Y731 PolarHBondContact O-N 3.18Å; S728-R903 PolarHBondContact O-NH2 3.36Å
729H90.3Very high89.2Confident55 Ų5568.5 Ų68.526%0.25534%0.335SS..THydrogen-bonded Turntrans-58.8-26.7171.8-76.2-165.9000112.8Y895 T899 K955 W956H729-Y895 HydrophobicContact CB-CE2 4.4Å; H729-Y895 AromaticContact CD2-CE2 3.45Å; H729-Y895 VanDerWaalsContact CD2-CE2 3.45Å; H729-Y895 WeakPolarHBondContact CD2-CE2 3.35Å; H729-Y895 AromaticContact CD2-CZ 3.48Å; H729-Y895 VanDerWaalsContact CD2-CZ 3.48Å; H729-Y895 AromaticContact CE1-CD2 3.77Å; H729-Y895 AromaticContact CE1-CE2 3.5Å; H729-Y895 AromaticContact CG-CE2 3.57Å; H729-Y895 AromaticContact CG-CZ 3.73Å; H729-Y895 PolarHBondContact N-OH 3.42Å; H729-Y895 AromaticContact ND1-CE2 3.6Å; H729-Y895 AromaticContact NE2-CD2 3.63Å; H729-Y895 AromaticContact NE2-CE2 3.44Å; H729-Y895 WeakPolarHBondContact NE2-CE2 3.46Å; H729-Y895 AromaticContact NE2-CZ 3.92Å; H729-T899 PolarHBondContact CD2-OG1 3.22Å; H729-T899 PolarHBondContact NE2-OG1 3.44Å; H729-K955 PolarHBondContact CE1-O 3.07Å; H729-K955 VanDerWaalsContact CE1-O 3.27Å; H729-W956 HydrophobicContact CB-CZ3 4.12Å; H729-W956 AromaticContact CD2-CE3 3.62Å; H729-W956 AromaticContact CD2-CZ3 3.46Å; H729-W956 VanDerWaalsContact CD2-CZ3 3.46Å; H729-W956 WeakPolarHBondContact CD2-CZ3 3.18Å; H729-W956 AromaticContact CG-CE3 3.93Å; H729-W956 AromaticContact CG-CZ3 3.78Å; H729-W956 AromaticContact NE2-CE3 3.67Å
730N86.8Confident88.7Confident142 Ų14269.7 Ų69.776%0.75935%0.349SS*.THydrogen-bonded Turntrans-98.18.2-176.1-62.1-28.3000113.6S728 Q732S728-N730 PolarHBondContact O-N 3.27Å; S728-N730 PolarHBondContact OG-N 3.36Å; N730-Q732 PolarHBondContact O-N 3.13Å
731Y90Very high88.4Confident61 Ų6172.5 Ų72.524%0.23936%0.363CS..PPolyproline II helixtrans-62.1132.4179.2-172.8-95.7000110.9D725 F726 S728 E739 Q742 L910D725-Y731 WeakPolarHBondContact O-CD2 3.28Å; F726-Y731 HydrophobicContact CD2-CE1 4.05Å; F726-Y731 HydrophobicContact CD2-CE2 4.38Å; F726-Y731 AromaticContact CD2-CZ 3.95Å; F726-Y731 HydrophobicContact CE2-CE1 4.42Å; S728-Y731 PolarHBondContact O-N 3.18Å; Y731-E739 HydrophobicContact CE1-CG 4.26Å; Y731-E739 WeakPolarHBondContact OH-CG 3.29Å; Y731-E739 PolarHBondContact OH-OE1 2.94Å; Y731-Q742 PolarHBondContact OH-OE1 2.96Å; Y731-L910 HydrophobicContact CD1-CD1 3.7Å; Y731-L910 HydrophobicContact CE1-CD1 3.93Å
732Q85.4Confident88.2Confident166 Ų16673.3 Ų73.378%0.77637%0.367SS*.PPolyproline II helixtrans-97.9121.4-179.9-66-177.3-5.900110N730 T734N730-Q732 PolarHBondContact O-N 3.13Å; Q732-T734 PolarHBondContact O-N 2.91Å
733E83.6Confident88Confident90 Ų9069.4 Ų69.442%0.42135%0.347SS..PPolyproline II helixtrans-63.6119.3176-73.7-178.9-161.800111.7S908 L910E733-S908 VanDerWaalsContact OE1-CB 3.25Å; E733-S908 WeakPolarHBondContact OE1-CB 3.37Å; E733-S908 PolarHBondContact OE1-OG 3.26Å; E733-L910 HydrophobicContact CG-CD1 3.53Å; E733-L910 HydrophobicContact CG-CD2 4.07Å; E733-L910 HydrophobicContact CG-CG 3.68Å
734T82.8Confident87.8Confident95 Ų9573.9 Ų73.958%0.58337%0.368SS*.  trans-103.1-14177.5620000113.4Q732 S736 E739Q732-T734 PolarHBondContact O-N 2.91Å; T734-S736 VanDerWaalsContact C-N 3.31Å; T734-S736 PolarHBondContact O-N 3.44Å; T734-E739 WeakPolarHBondContact CA-OE1 3.48Å; T734-E739 PolarHBondContact N-OE1 3.06Å; T734-E739 PolarHBondContact OG1-OE1 3.14Å
735R76.3Confident87.9Confident220 Ų22073.9 Ų73.983%0.8337%0.368SS*.  trans59.436.4-176.2-56.7-178.1178.9176.70.8113.6E739R735-E739 WeakPolarHBondContact CA-OE2 3.49Å; R735-E739 PolarHBondContact N-OE2 3.31Å
736S82.3Confident88Confident44 Ų4469.3 Ų69.331%0.30834%0.343SS..  trans-83.6160.1177.9700000111.9T734 E738 E739T734-S736 VanDerWaalsContact C-N 3.31Å; T734-S736 PolarHBondContact O-N 3.44Å; S736-E738 PolarHBondContact O-N 2.7Å; S736-E738 PolarHBondContact OG-N 2.73Å; S736-E739 PolarHBondContact N-OE2 3.25Å; S736-E739 PolarHBondContact O-N 3.48Å; S736-E739 PolarHBondContact OG-N 2.66Å
737E79.5Confident88.1Confident181 Ų18170.1 Ų70.185%0.84635%0.347SS*.Hα-helixtrans-62.3-26.6169.8-67.5-173.8164.900112.2G740 L741E737-G740 PolarHBondContact O-N 3.42Å; E737-L741 PolarHBondContact O-N 3.45Å
738E84Confident88.1Confident125 Ų12573.2 Ų73.258%0.58436%0.359SS*.Hα-helixtrans-65-38.9178-171.3172.2-165.300112S736 G740 L741 Q742S736-E738 PolarHBondContact O-N 2.7Å; S736-E738 PolarHBondContact OG-N 2.73Å; E738-G740 VanDerWaalsContact C-N 3.28Å; E738-G740 PolarHBondContact O-N 2.86Å; E738-L741 PolarHBondContact O-N 2.93Å; E738-L741 VanDerWaalsContact O-N 3.13Å; E738-Q742 WeakPolarHBondContact O-CG 3.47Å; E738-Q742 PolarHBondContact O-N 3.29Å
739E87.6Confident88.3Confident12 Ų1271.8 Ų71.86%0.05635%0.349CS..Hα-helixtrans-61.1-38.1173.6-75173.7173.600112F726 Y731 T734 R735 S736 L741 Q742 A743 L910F726-E739 HydrophobicContact CE2-CB 4.48Å; F726-E739 HydrophobicContact CE2-CG 4.49Å; Y731-E739 HydrophobicContact CE1-CG 4.26Å; Y731-E739 WeakPolarHBondContact OH-CG 3.29Å; Y731-E739 PolarHBondContact OH-OE1 2.94Å; T734-E739 WeakPolarHBondContact CA-OE1 3.48Å; T734-E739 PolarHBondContact N-OE1 3.06Å; T734-E739 PolarHBondContact OG1-OE1 3.14Å; R735-E739 WeakPolarHBondContact CA-OE2 3.49Å; R735-E739 PolarHBondContact N-OE2 3.31Å; S736-E739 PolarHBondContact N-OE2 3.25Å; S736-E739 PolarHBondContact O-N 3.48Å; S736-E739 PolarHBondContact OG-N 2.66Å; E739-L741 VanDerWaalsContact C-N 3.35Å; E739-Q742 PolarHBondContact O-N 2.81Å; E739-A743 WeakPolarHBondContact O-CB 3.4Å; E739-A743 PolarHBondContact O-N 2.86Å; E739-L910 HydrophobicContact CB-CD2 3.89Å; E739-L910 HydrophobicContact CG-CD2 3.96Å
740G86.4Confident88.6Confident35 Ų3569.1 Ų69.136%0.36134%0.336SS..Hα-helixtrans-60.2-44.9173.700000111.5E737 E738 A743 H744E737-G740 PolarHBondContact O-N 3.42Å; E738-G740 VanDerWaalsContact C-N 3.28Å; E738-G740 PolarHBondContact O-N 2.86Å; G740-A743 PolarHBondContact O-N 3.47Å; G740-H744 PolarHBondContact O-N 3.46Å; G740-H744 PolarHBondContact O-ND1 3.46Å
741L89.1Confident89Confident62 Ų6264 Ų6433%0.32531%0.308SS..Hα-helixtrans-66.2-44.9176.3-68.7169.7000111.9C667 M669 E737 E738 E739 A743 H744 I745C667-L741 HydrophobicContact CB-CD2 4.47Å; M669-L741 HydrophobicContact CE-CB 4.18Å; M669-L741 HydrophobicContact CE-CD1 4.06Å; M669-L741 HydrophobicContact CG-CD2 4.33Å; E737-L741 PolarHBondContact O-N 3.45Å; E738-L741 PolarHBondContact O-N 2.93Å; E738-L741 VanDerWaalsContact O-N 3.13Å; E739-L741 VanDerWaalsContact C-N 3.35Å; L741-A743 VanDerWaalsContact C-N 3.26Å; L741-A743 PolarHBondContact O-N 3.16Å; L741-H744 PolarHBondContact O-N 3Å; L741-H744 VanDerWaalsContact O-N 3.1Å; L741-I745 VanDerWaalsContact O-CG1 3.31Å; L741-I745 WeakPolarHBondContact O-CG1 3.32Å; L741-I745 PolarHBondContact O-N 3.29Å
742Q91.5Very high89.4Confident26 Ų2661.4 Ų61.412%0.12130%0.298CS..Hα-helixtrans-59.8-36.6176.5-73.3175.8-33.100112F726 Y731 E738 E739 I745 T746F726-Q742 HydrophobicContact CB-CB 4.5Å; F726-Q742 HydrophobicContact CD1-CB 4.08Å; F726-Q742 HydrophobicContact CD2-CB 3.72Å; F726-Q742 HydrophobicContact CD2-CG 4.36Å; F726-Q742 HydrophobicContact CE1-CB 4.21Å; F726-Q742 HydrophobicContact CE2-CB 3.83Å; F726-Q742 HydrophobicContact CG-CB 3.84Å; F726-Q742 HydrophobicContact CG-CG 4.45Å; F726-Q742 HydrophobicContact CZ-CB 4.09Å; Y731-Q742 PolarHBondContact OH-OE1 2.96Å; E738-Q742 WeakPolarHBondContact O-CG 3.47Å; E738-Q742 PolarHBondContact O-N 3.29Å; E739-Q742 PolarHBondContact O-N 2.81Å; Q742-I745 PolarHBondContact O-N 2.79Å; Q742-T746 WeakPolarHBondContact O-CB 3.34Å; Q742-T746 PolarHBondContact O-N 3.26Å; Q742-T746 PolarHBondContact O-OG1 2.87Å
743A90.9Very high90Very high4 Ų453.5 Ų53.53%0.03326%0.261CS..Hα-helixtrans-62.2-46.1173.300000111.7F726 E739 G740 L741 T746 E747 T912 Q915F726-A743 HydrophobicContact CZ-CB 4.29Å; E739-A743 WeakPolarHBondContact O-CB 3.4Å; E739-A743 PolarHBondContact O-N 2.86Å; G740-A743 PolarHBondContact O-N 3.47Å; L741-A743 VanDerWaalsContact C-N 3.26Å; L741-A743 PolarHBondContact O-N 3.16Å; A743-T746 WeakPolarHBondContact O-CB 3.35Å; A743-T746 PolarHBondContact O-N 2.88Å; A743-E747 PolarHBondContact O-N 3.41Å; A743-T912 HydrophobicContact CB-CG2 4.23Å; A743-Q915 VanDerWaalsContact C-NE2 3.3Å; A743-Q915 PolarHBondContact O-NE2 3.16Å
744H91.3Very high90.6Very high94 Ų9449.3 Ų49.344%0.43524%0.241SC..Hα-helixtrans-67.1-36.4176.7-69.382.6000112.5C667 G740 L741 T746 E747 R748C667-H744 VanDerWaalsContact SG-CB 3.55Å; G740-H744 PolarHBondContact O-N 3.46Å; G740-H744 PolarHBondContact O-ND1 3.46Å; L741-H744 PolarHBondContact O-N 3Å; L741-H744 VanDerWaalsContact O-N 3.1Å; H744-T746 VanDerWaalsContact C-N 3.34Å; H744-E747 WeakPolarHBondContact O-CB 3.39Å; H744-E747 PolarHBondContact O-N 2.91Å; H744-R748 PolarHBondContact O-N 3.4Å
745I94.6Very high91.3Very high10 Ų1045 Ų455%0.05122%0.215CC..Hα-helixtrans-63.7-41.4174.3-67.2171.8000110.5M669 F721 L723 L741 Q742 E747 R748 F749M669-I745 HydrophobicContact CE-CD1 3.92Å; M669-I745 HydrophobicContact SD-CD1 3.66Å; M669-I745 HydrophobicContact SD-CG1 4.36Å; F721-I745 HydrophobicContact CB-CG2 4.23Å; F721-I745 HydrophobicContact CD1-CG2 3.7Å; F721-I745 HydrophobicContact CG-CG2 4.47Å; L723-I745 HydrophobicContact CD1-CG2 4.24Å; L723-I745 HydrophobicContact CD2-CB 4.39Å; L723-I745 HydrophobicContact CD2-CG2 4.01Å; L723-I745 HydrophobicContact CG-CG2 4.29Å; L741-I745 VanDerWaalsContact O-CG1 3.31Å; L741-I745 WeakPolarHBondContact O-CG1 3.32Å; L741-I745 PolarHBondContact O-N 3.29Å; Q742-I745 PolarHBondContact O-N 2.79Å; I745-E747 VanDerWaalsContact C-N 3.26Å; I745-E747 PolarHBondContact O-N 2.78Å; I745-R748 WeakPolarHBondContact O-CB 3.47Å; I745-R748 PolarHBondContact O-N 3.17Å; I745-F749 PolarHBondContact O-N 2.78Å
746T95.8Very high92.3Very high0 Ų034.6 Ų34.60%018%0.176CC..Hα-helixtrans-57.9-39.4175.3-59.40000111.3L723 F726 L727 Q742 A743 H744 R748 F749 L750 Q915L723-T746 WeakPolarHBondContact CD2-OG1 3.3Å; F726-T746 WeakPolarHBondContact CE1-OG1 3.45Å; L727-T746 HydrophobicContact CD1-CG2 4.47Å; L727-T746 HydrophobicContact CD2-CG2 3.92Å; Q742-T746 WeakPolarHBondContact O-CB 3.34Å; Q742-T746 PolarHBondContact O-N 3.26Å; Q742-T746 PolarHBondContact O-OG1 2.87Å; A743-T746 WeakPolarHBondContact O-CB 3.35Å; A743-T746 PolarHBondContact O-N 2.88Å; H744-T746 VanDerWaalsContact C-N 3.34Å; T746-R748 VanDerWaalsContact C-N 3.32Å; T746-R748 PolarHBondContact O-N 3.45Å; T746-F749 PolarHBondContact O-N 2.91Å; T746-L750 HydrophobicContact CG2-CD1 4.25Å; T746-L750 HydrophobicContact CG2-CG 4.43Å; T746-L750 VanDerWaalsContact O-CG 3.32Å; T746-L750 WeakPolarHBondContact O-CG 3.32Å; T746-L750 PolarHBondContact O-N 3.47Å; T746-Q915 HydrophobicContact CG2-CG 4.32Å
747E94.3Very high92.9Very high19 Ų1932.5 Ų32.59%0.08916%0.161CC..Hα-helixtrans-59.8-42.1174.2-62.8174.4-164.800112.4A743 H744 I745 Q751 T912 T914 Q915 R918A743-E747 PolarHBondContact O-N 3.41Å; H744-E747 WeakPolarHBondContact O-CB 3.39Å; H744-E747 PolarHBondContact O-N 2.91Å; I745-E747 VanDerWaalsContact C-N 3.26Å; I745-E747 PolarHBondContact O-N 2.78Å; E747-Q751 WeakPolarHBondContact O-CB 3.42Å; E747-Q751 PolarHBondContact O-N 2.85Å; E747-T912 WeakPolarHBondContact OE1-CB 3.45Å; E747-T912 PolarHBondContact OE1-OG1 3.27Å; E747-T914 PolarHBondContact OE1-OG1 3.42Å; E747-T914 WeakPolarHBondContact OE2-CB 3.13Å; E747-T914 PolarHBondContact OE2-OG1 3.37Å; E747-Q915 HydrophobicContact CB-CG 4.45Å; E747-Q915 HydrophobicContact CG-CB 4.34Å; E747-Q915 HydrophobicContact CG-CG 3.38Å; E747-R918 WeakPolarHBondContact O-CD 3.42Å; E747-R918 PolarHBondContact O-NE 3.23Å; E747-R918 IonicContact OE2-NH1 3.79Å
748R94.1Very high93.6Very high66 Ų6624.4 Ų24.425%0.24913%0.126CC..Hα-helixtrans-69.3-38.9178.6-63.7-59.3-173.9-1781.2111.9A663 S666 H744 I745 T746 Q751 L752A663-R748 HydrophobicContact CB-CB 3.55Å; A663-R748 HydrophobicContact CB-CG 3.93Å; S666-R748 PolarHBondContact OG-NH2 3.03Å; H744-R748 PolarHBondContact O-N 3.4Å; I745-R748 WeakPolarHBondContact O-CB 3.47Å; I745-R748 PolarHBondContact O-N 3.17Å; T746-R748 VanDerWaalsContact C-N 3.32Å; T746-R748 PolarHBondContact O-N 3.45Å; R748-Q751 WeakPolarHBondContact O-CB 3.46Å; R748-Q751 PolarHBondContact O-N 3.22Å; R748-L752 PolarHBondContact O-N 2.91Å
749F97.2Very high94.1Very high0 Ų018.7 Ų18.70%010%0.1CC..Hα-helixtrans-61.4-47.9173.4166.9-105000112L717 I718 F721 L723 I745 T746 Q751 L752 L753 L896L717-F749 HydrophobicContact CB-CD2 4.42Å; L717-F749 HydrophobicContact CB-CE2 3.71Å; I718-F749 HydrophobicContact CD1-CZ 4.18Å; I718-F749 HydrophobicContact CG1-CE1 4.01Å; I718-F749 HydrophobicContact CG1-CE2 3.9Å; I718-F749 HydrophobicContact CG1-CZ 3.4Å; F721-F749 HydrophobicContact CD1-CB 3.87Å; F721-F749 HydrophobicContact CD2-CD2 4.19Å; F721-F749 HydrophobicContact CE1-CB 4.1Å; F721-F749 HydrophobicContact CE2-CD2 4.46Å; F721-F749 HydrophobicContact CG-CB 4.24Å; F721-F749 HydrophobicContact CG-CD2 4.3Å; L723-F749 HydrophobicContact CD1-CB 3.78Å; L723-F749 HydrophobicContact CD1-CD1 4.1Å; L723-F749 HydrophobicContact CD1-CG 3.94Å; I745-F749 PolarHBondContact O-N 2.78Å; T746-F749 PolarHBondContact O-N 2.91Å; F749-Q751 VanDerWaalsContact C-N 3.28Å; F749-Q751 PolarHBondContact O-N 3.13Å; F749-L752 WeakPolarHBondContact O-CB 3.31Å; F749-L752 PolarHBondContact O-N 3.26Å; F749-L752 VanDerWaalsContact O-N 3.13Å; F749-L753 HydrophobicContact CE1-CD1 3.95Å; F749-L753 HydrophobicContact CE2-CD1 4.43Å; F749-L753 HydrophobicContact CE2-CG 4.44Å; F749-L753 HydrophobicContact CZ-CD1 3.79Å; F749-L753 HydrophobicContact CZ-CG 4.28Å; F749-L753 PolarHBondContact O-N 2.95Å; F749-L753 VanDerWaalsContact O-N 3.12Å; F749-L896 HydrophobicContact CE1-CD1 4.25Å; F749-L896 HydrophobicContact CE1-CD2 3.57Å; F749-L896 HydrophobicContact CZ-CD2 4.22Å
750L97.7Very high94.4Very high0 Ų018.5 Ų18.50%010%0.098CC..Hα-helixtrans-61.7-38.2175.3-66.9170.9000111.7T746 L752 L753 I754 L896 I900 Q915 R918 L922T746-L750 HydrophobicContact CG2-CD1 4.25Å; T746-L750 HydrophobicContact CG2-CG 4.43Å; T746-L750 VanDerWaalsContact O-CG 3.32Å; T746-L750 WeakPolarHBondContact O-CG 3.32Å; T746-L750 PolarHBondContact O-N 3.47Å; L750-L752 VanDerWaalsContact C-N 3.34Å; L750-L753 PolarHBondContact O-N 3.3Å; L750-I754 WeakPolarHBondContact O-CG1 3.38Å; L750-I754 PolarHBondContact O-N 2.81Å; L750-L896 HydrophobicContact CD2-CD2 4.04Å; L750-I900 HydrophobicContact CD1-CD1 3.77Å; L750-I900 HydrophobicContact CD2-CD1 3.89Å; L750-I900 HydrophobicContact CG-CD1 4.35Å; L750-Q915 HydrophobicContact CD1-CB 4.23Å; L750-Q915 HydrophobicContact CD1-CG 4.49Å; L750-R918 HydrophobicContact CB-CB 3.83Å; L750-R918 HydrophobicContact CD1-CB 4.2Å; L750-L922 HydrophobicContact CB-CD1 4.38Å; L750-L922 HydrophobicContact CD2-CD1 3.95Å
751Q95.7Very high94.7Very high35 Ų3519.3 Ų19.316%0.1649%0.091CC..Hα-helixtrans-63.1-39.5175-169.7168-5.200112E747 R748 F749 L753 I754 I755 R918E747-Q751 WeakPolarHBondContact O-CB 3.42Å; E747-Q751 PolarHBondContact O-N 2.85Å; R748-Q751 WeakPolarHBondContact O-CB 3.46Å; R748-Q751 PolarHBondContact O-N 3.22Å; F749-Q751 VanDerWaalsContact C-N 3.28Å; F749-Q751 PolarHBondContact O-N 3.13Å; Q751-L753 VanDerWaalsContact C-N 3.32Å; Q751-L753 PolarHBondContact O-N 3.13Å; Q751-I754 WeakPolarHBondContact O-CB 3.41Å; Q751-I754 PolarHBondContact O-N 2.87Å; Q751-I755 HydrophobicContact CG-CD1 4.04Å; Q751-I755 WeakPolarHBondContact O-CD1 3.12Å; Q751-I755 VanDerWaalsContact O-CG1 3.29Å; Q751-I755 WeakPolarHBondContact O-CG1 3.3Å; Q751-I755 PolarHBondContact O-N 3.37Å; Q751-R918 VanDerWaalsContact OE1-NH2 3.14Å
752L97.3Very high94.7Very high5 Ų518 Ų183%0.0269%0.089CC..Hα-helixtrans-61.2-41.2174.5-179.962.2000111.4Q659 I698 L701 F721 R748 F749 L750 I755 V756Q659-L752 HydrophobicContact CB-CD2 4.13Å; Q659-L752 HydrophobicContact CG-CD1 4.02Å; Q659-L752 HydrophobicContact CG-CD2 4.25Å; I698-L752 HydrophobicContact CD1-CD1 3.83Å; L701-L752 HydrophobicContact CD1-CD1 3.96Å; L701-L752 HydrophobicContact CD1-CD2 4.4Å; F721-L752 HydrophobicContact CE2-CD2 3.9Å; F721-L752 HydrophobicContact CZ-CD2 3.93Å; R748-L752 PolarHBondContact O-N 2.91Å; F749-L752 WeakPolarHBondContact O-CB 3.31Å; F749-L752 PolarHBondContact O-N 3.26Å; F749-L752 VanDerWaalsContact O-N 3.13Å; L750-L752 VanDerWaalsContact C-N 3.34Å; L752-I755 PolarHBondContact O-N 3.35Å; L752-V756 HydrophobicContact CD1-CG2 4.22Å; L752-V756 HydrophobicContact CG-CG2 4.4Å; L752-V756 WeakPolarHBondContact O-CG2 3.46Å; L752-V756 PolarHBondContact O-N 2.81Å
753L97.8Very high94.5Very high0 Ų020.9 Ų20.90%010%0.104CC..Hα-helixtrans-62.7-42174.4-68.1178.9000112.2L717 F749 L750 Q751 I755 V756 L757 F893 L896 L922L717-L753 HydrophobicContact CD1-CD2 4.01Å; F749-L753 HydrophobicContact CE1-CD1 3.95Å; F749-L753 HydrophobicContact CE2-CD1 4.43Å; F749-L753 HydrophobicContact CE2-CG 4.44Å; F749-L753 HydrophobicContact CZ-CD1 3.79Å; F749-L753 HydrophobicContact CZ-CG 4.28Å; F749-L753 PolarHBondContact O-N 2.95Å; F749-L753 VanDerWaalsContact O-N 3.12Å; L750-L753 PolarHBondContact O-N 3.3Å; Q751-L753 VanDerWaalsContact C-N 3.32Å; Q751-L753 PolarHBondContact O-N 3.13Å; L753-I755 PolarHBondContact O-N 2.91Å; L753-V756 PolarHBondContact O-N 3.07Å; L753-L757 WeakPolarHBondContact O-CB 3.35Å; L753-L757 WeakPolarHBondContact O-CD1 3.43Å; L753-L757 WeakPolarHBondContact O-CG 3.22Å; L753-L757 PolarHBondContact O-N 3.46Å; L753-F893 HydrophobicContact CD1-CD2 4.13Å; L753-F893 HydrophobicContact CD1-CE2 4.19Å; L753-L896 HydrophobicContact CD1-CD2 4.15Å; L753-L922 HydrophobicContact CB-CD1 4.3Å; L753-L922 HydrophobicContact CB-CD2 4.08Å
754I97.6Very high94.3Very high2 Ų221.8 Ų21.81%0.0111%0.114CC..Hα-helixtrans-57.2-43.8174.6-68.7169.6000110L750 Q751 G758 F839 R918 F921 L922 M925L750-I754 WeakPolarHBondContact O-CG1 3.38Å; L750-I754 PolarHBondContact O-N 2.81Å; Q751-I754 WeakPolarHBondContact O-CB 3.41Å; Q751-I754 PolarHBondContact O-N 2.87Å; I754-G758 WeakPolarHBondContact O-CA 3.41Å; I754-G758 PolarHBondContact O-N 2.87Å; I754-F839 HydrophobicContact CD1-CD2 3.83Å; I754-F839 HydrophobicContact CD1-CE2 4.04Å; I754-F839 HydrophobicContact CD1-CG 4.1Å; I754-F839 HydrophobicContact CD1-CZ 4.47Å; I754-F839 HydrophobicContact CG2-CB 3.96Å; I754-F839 HydrophobicContact CG2-CD2 4.37Å; I754-F839 HydrophobicContact CG2-CG 4.41Å; I754-R918 HydrophobicContact CD1-CB 3.84Å; I754-R918 HydrophobicContact CD1-CG 3.92Å; I754-F921 HydrophobicContact CD1-CB 4.23Å; I754-F921 HydrophobicContact CD1-CD1 3.93Å; I754-F921 HydrophobicContact CD1-CG 4.4Å; I754-F921 HydrophobicContact CG1-CD1 4.12Å; I754-F921 HydrophobicContact CG2-CD1 3.89Å; I754-F921 HydrophobicContact CG2-CE1 3.77Å; I754-L922 HydrophobicContact CB-CD2 4.39Å; I754-L922 HydrophobicContact CD1-CG 4.32Å; I754-L922 HydrophobicContact CG1-CD1 4.2Å; I754-L922 HydrophobicContact CG1-CD2 3.59Å; I754-L922 HydrophobicContact CG1-CG 3.56Å; I754-M925 HydrophobicContact CG1-SD 4.49Å; I754-M925 HydrophobicContact CG2-SD 4.09Å
755I96.7Very high94.3Very high6 Ų617.3 Ų17.33%0.0319%0.093CC..Hα-helixtrans-66.7-51.6-179.7-69.1158.9000110.7Y694 I698 Q751 L752 L753 L757 G758 E759 W841Y694-I755 WeakPolarHBondContact OH-CD1 3.34Å; I698-I755 HydrophobicContact CD1-CG2 3.75Å; I698-I755 HydrophobicContact CG1-CG2 3.93Å; I698-I755 HydrophobicContact CG2-CG2 3.81Å; Q751-I755 HydrophobicContact CG-CD1 4.04Å; Q751-I755 WeakPolarHBondContact O-CD1 3.12Å; Q751-I755 VanDerWaalsContact O-CG1 3.29Å; Q751-I755 WeakPolarHBondContact O-CG1 3.3Å; Q751-I755 PolarHBondContact O-N 3.37Å; L752-I755 PolarHBondContact O-N 3.35Å; L753-I755 PolarHBondContact O-N 2.91Å; I755-L757 VanDerWaalsContact C-N 3.26Å; I755-L757 PolarHBondContact O-N 3.44Å; I755-G758 PolarHBondContact O-N 2.94Å; I755-E759 HydrophobicContact CB-CG 4.39Å; I755-E759 HydrophobicContact CG2-CB 4.48Å; I755-E759 HydrophobicContact CG2-CG 3.87Å; I755-E759 VanDerWaalsContact O-CB 3.23Å; I755-E759 WeakPolarHBondContact O-CB 3.43Å; I755-E759 WeakPolarHBondContact O-CG 3.47Å; I755-E759 PolarHBondContact O-N 3.2Å; I755-W841 HydrophobicContact CD1-CB 4.38Å; I755-W841 HydrophobicContact CG1-CB 3.97Å; I755-W841 HydrophobicContact CG2-CB 4.22Å; I755-W841 HydrophobicContact CG2-CE3 4.05Å
756V96.8Very high94.1Very high1 Ų117 Ų171%0.0069%0.092CC..Hα-helixtrans-57.7-38.5-179.6169.60000111.8L701 Q702 L752 L753 V884 I887L701-V756 HydrophobicContact CB-CG2 4.25Å; L701-V756 HydrophobicContact CD1-CG2 4.45Å; Q702-V756 HydrophobicContact CG-CG1 4.1Å; Q702-V756 PolarHBondContact NE2-O 2.77Å; L752-V756 HydrophobicContact CD1-CG2 4.22Å; L752-V756 HydrophobicContact CG-CG2 4.4Å; L752-V756 WeakPolarHBondContact O-CG2 3.46Å; L752-V756 PolarHBondContact O-N 2.81Å; L753-V756 PolarHBondContact O-N 3.07Å; V756-V884 HydrophobicContact CG1-CG1 4.14Å; V756-I887 HydrophobicContact CG1-CD1 4.37Å
757L96Very high93.8Very high0 Ų021.6 Ų21.60%012%0.117CC..Hα-helixtrans-84.7-33.1-179.2-73.6162.3000114.3L753 I755 R760 V884 I887 L888 L922 M925L753-L757 WeakPolarHBondContact O-CB 3.35Å; L753-L757 WeakPolarHBondContact O-CD1 3.43Å; L753-L757 WeakPolarHBondContact O-CG 3.22Å; L753-L757 PolarHBondContact O-N 3.46Å; I755-L757 VanDerWaalsContact C-N 3.26Å; I755-L757 PolarHBondContact O-N 3.44Å; L757-R760 PolarHBondContact O-NE 3.37Å; L757-V884 HydrophobicContact CD2-CG1 4.23Å; L757-I887 HydrophobicContact CD1-CG2 4.22Å; L757-I887 HydrophobicContact CD2-CB 4.23Å; L757-L888 HydrophobicContact CD1-CD2 3.63Å; L757-L888 HydrophobicContact CD1-CG 4.22Å; L757-L888 HydrophobicContact CD2-CD1 4.42Å; L757-L888 HydrophobicContact CD2-CD2 4.32Å; L757-L888 HydrophobicContact CD2-CG 4.03Å; L757-L922 HydrophobicContact CD1-CD2 3.94Å; L757-M925 HydrophobicContact CB-CE 3.63Å
758G93.8Very high93.7Very high11 Ų1121.6 Ų21.611%0.11312%0.118CC..Hα-helixtrans-96.4-27.1-169.800000113.9I754 I755 R760 M925I754-G758 WeakPolarHBondContact O-CA 3.41Å; I754-G758 PolarHBondContact O-N 2.87Å; I755-G758 PolarHBondContact O-N 2.94Å; G758-R760 VanDerWaalsContact C-N 3.34Å; G758-R760 PolarHBondContact O-N 2.78Å; G758-M925 VanDerWaalsContact CA-CE 3.42Å
759E94.7Very high93.5Very high5 Ų522.1 Ų22.12%0.02313%0.128CC..  trans-83.782.5-177.7-61-55.7149.100111.4Q702 I755 R776 W841Q702-E759 PolarHBondContact NE2-O 3.41Å; I755-E759 HydrophobicContact CB-CG 4.39Å; I755-E759 HydrophobicContact CG2-CB 4.48Å; I755-E759 HydrophobicContact CG2-CG 3.87Å; I755-E759 VanDerWaalsContact O-CB 3.23Å; I755-E759 WeakPolarHBondContact O-CB 3.43Å; I755-E759 WeakPolarHBondContact O-CG 3.47Å; I755-E759 PolarHBondContact O-N 3.2Å; E759-R776 VanDerWaalsContact CD-NH2 3.34Å; E759-R776 IonicContact OE1-CZ 2.95Å; E759-R776 IonicContact OE1-NH2 3.1Å; E759-R776 PolarHBondContact OE1-NH2 3.25Å; E759-R776 IonicContact OE2-CZ 2.7Å; E759-R776 VanDerWaalsContact OE2-CZ 3.27Å; E759-R776 IonicContact OE2-NH1 2.63Å; E759-R776 PolarHBondContact OE2-NH1 3.4Å; E759-R776 IonicContact OE2-NH2 2.65Å; E759-R776 PolarHBondContact OE2-NH2 3.12Å; E759-W841 HydrophobicContact CB-CD2 4.18Å; E759-W841 HydrophobicContact CB-CE3 4.14Å; E759-W841 HydrophobicContact CB-CZ3 4.38Å; E759-W841 VanDerWaalsContact CD-CD1 3.43Å; E759-W841 HydrophobicContact CG-CB 3.86Å; E759-W841 HydrophobicContact CG-CD2 3.56Å; E759-W841 HydrophobicContact CG-CE3 3.8Å; E759-W841 HydrophobicContact CG-CG 3.6Å; E759-W841 PolarHBondContact OE2-NE1 3.38Å
760R94.1Very high92.9Very high7 Ų728.7 Ų28.73%0.02616%0.157CC..  trans-104.46.6179-52.2-178.7-166.9-178.70.9112.3L757 G758 A762 G766 P875 F877 L885 E929L757-R760 PolarHBondContact O-NE 3.37Å; G758-R760 VanDerWaalsContact C-N 3.34Å; G758-R760 PolarHBondContact O-N 2.78Å; R760-A762 PolarHBondContact O-N 3.17Å; R760-A762 VanDerWaalsContact O-N 3.14Å; R760-G766 WeakPolarHBondContact O-CA 3.25Å; R760-G766 PolarHBondContact O-N 3.08Å; R760-P875 HydrophobicContact CB-CG 3.84Å; R760-P875 WeakPolarHBondContact CD-O 3.48Å; R760-P875 PolarHBondContact NH1-O 2.97Å; R760-F877 HydrophobicContact CB-CE1 4.41Å; R760-F877 HydrophobicContact CG-CD1 4.01Å; R760-F877 HydrophobicContact CG-CD2 4.33Å; R760-F877 HydrophobicContact CG-CE1 3.62Å; R760-F877 HydrophobicContact CG-CE2 3.95Å; R760-F877 HydrophobicContact CG-CG 4.37Å; R760-F877 HydrophobicContact CG-CZ 3.58Å; R760-L885 VanDerWaalsContact NH2-CD2 3.29Å; R760-E929 IonicContact CZ-OE2 3.44Å; R760-E929 IonicContact NH1-OE2 3.38Å; R760-E929 PolarHBondContact NH1-OE2 3.41Å; R760-E929 IonicContact NH2-OE2 3.6Å; R760-E929 PolarHBondContact NH2-OE2 3.07Å
761W91.9Very high92.5Very high53 Ų5334.7 Ų34.720%0.20118%0.18CC..  trans-92.444.8-170.2-6181.6000112.4V768 D772 I773 R776 P875W761-V768 HydrophobicContact CD2-CG1 4.37Å; W761-V768 HydrophobicContact CE3-CG1 3.91Å; W761-V768 HydrophobicContact CZ3-CG1 4.36Å; W761-D772 HydrophobicContact CZ3-CB 4.15Å; W761-I773 WeakPolarHBondContact O-CD1 3.46Å; W761-I773 WeakPolarHBondContact O-CG1 3.18Å; W761-R776 HydrophobicContact CD2-CG 4.45Å; W761-R776 HydrophobicContact CE3-CB 4.09Å; W761-R776 VanDerWaalsContact CG-CD 3.49Å; W761-R776 HydrophobicContact CZ3-CB 4.11Å; W761-R776 VanDerWaalsContact NE1-CZ 3.34Å; W761-P875 HydrophobicContact CD2-CG 4.06Å; W761-P875 VanDerWaalsContact CE2-CD 3.45Å; W761-P875 HydrophobicContact CG-CG 4.44Å; W761-P875 HydrophobicContact CZ2-CG 4.17Å
762A89.4Confident92.2Very high34 Ų3435.7 Ų35.728%0.28119%0.186SC..SBendtrans-129.4135.3171.900000108.2R760 G764 V765 G766R760-A762 PolarHBondContact O-N 3.17Å; R760-A762 VanDerWaalsContact O-N 3.14Å; A762-G764 PolarHBondContact O-N 2.96Å; A762-V765 HydrophobicContact CB-CB 4.2Å; A762-V765 HydrophobicContact CB-CG2 3.94Å; A762-V765 PolarHBondContact O-N 2.88Å; A762-G766 PolarHBondContact O-N 3.18Å; A762-G766 VanDerWaalsContact O-N 3.12Å
763I87.5Confident91.9Very high86 Ų8637.7 Ų37.744%0.44120%0.196SC..BIsolated β-bridgetrans-60.7126.6178.3-64171000108.4K770 I773I763-K770 HydrophobicContact CD1-CB 4.47Å; I763-K770 HydrophobicContact CD1-CG 3.49Å; I763-K770 VanDerWaalsContact CD1-CG 3.49Å; I763-I773 HydrophobicContact CG1-CD1 4.02Å
764G85.5Confident91.5Very high24 Ų2439.2 Ų39.225%0.24721%0.205CC..THydrogen-bonded Turntrans95.4-23.3-175.400000114A762 T878 F881A762-G764 PolarHBondContact O-N 2.96Å; G764-T878 WeakPolarHBondContact O-CB 3.32Å; G764-T878 VanDerWaalsContact O-CG2 3.25Å; G764-T878 WeakPolarHBondContact O-CG2 3.38Å; G764-T878 PolarHBondContact O-OG1 3.32Å; G764-F881 WeakPolarHBondContact O-CD2 3.47Å
765V91.4Very high91.3Very high0 Ų042.6 Ų42.60%022%0.217CC..THydrogen-bonded Turntrans-88.4-53.4171.2-1780000110.5L626 L699 A762 F877 T878 F881L626-V765 HydrophobicContact CD2-CG2 3.74Å; L699-V765 HydrophobicContact CD1-CG2 3.62Å; A762-V765 HydrophobicContact CB-CB 4.2Å; A762-V765 HydrophobicContact CB-CG2 3.94Å; A762-V765 PolarHBondContact O-N 2.88Å; V765-F877 HydrophobicContact CG1-CD1 3.93Å; V765-F877 HydrophobicContact CG1-CE1 3.73Å; V765-F877 WeakPolarHBondContact O-CA 3.45Å; V765-F877 WeakPolarHBondContact O-CD1 3.48Å; V765-T878 PolarHBondContact O-N 3.38Å; V765-T878 PolarHBondContact O-OG1 3.44Å; V765-F881 HydrophobicContact CB-CD2 4.36Å; V765-F881 HydrophobicContact CB-CE2 4.46Å; V765-F881 HydrophobicContact CG1-CB 4.43Å; V765-F881 HydrophobicContact CG1-CD1 4.22Å; V765-F881 HydrophobicContact CG1-CD2 4.38Å; V765-F881 HydrophobicContact CG1-CG 4.09Å; V765-F881 HydrophobicContact CG2-CD2 4.38Å; V765-F881 HydrophobicContact CG2-CE1 4.37Å; V765-F881 HydrophobicContact CG2-CE2 4Å; V765-F881 HydrophobicContact CG2-CZ 4Å
766G90.6Very high91.1Very high2 Ų243.2 Ų43.22%0.02122%0.219CC..BIsolated β-bridgetrans-118165.6173.900000112.7R760 A762 V768 Q876R760-G766 WeakPolarHBondContact O-CA 3.25Å; R760-G766 PolarHBondContact O-N 3.08Å; A762-G766 PolarHBondContact O-N 3.18Å; A762-G766 VanDerWaalsContact O-N 3.12Å; G766-V768 PolarHBondContact O-N 2.7Å; G766-Q876 CarbonylContact C-O 3.56Å; G766-Q876 VanDerWaalsContact CA-O 3.29Å; G766-Q876 WeakPolarHBondContact CA-O 3.06Å
767N90Very high90.8Very high98 Ų9843.9 Ų43.952%0.52422%0.224SC..SBendtrans-76.374.9175.3-68.3-25.2000110.2Q876N767-Q876 PolarHBondContact N-O 2.69Å
768V91.3Very high90.6Very high19 Ų1943.9 Ų43.912%0.11522%0.224CC..  trans-132.7153.6-177.9-63.40000111.9W761 G766 D772 I773 P875W761-V768 HydrophobicContact CD2-CG1 4.37Å; W761-V768 HydrophobicContact CE3-CG1 3.91Å; W761-V768 HydrophobicContact CZ3-CG1 4.36Å; G766-V768 PolarHBondContact O-N 2.7Å; V768-D772 HydrophobicContact CB-CB 4.34Å; V768-I773 HydrophobicContact CG2-CD1 4.08Å; V768-I773 HydrophobicContact CG2-CG1 4.07Å; V768-P875 HydrophobicContact CG1-CB 3.77Å; V768-P875 HydrophobicContact CG1-CG 3.62Å
769T89.9Confident90.7Very high76 Ų7643.4 Ų43.447%0.46622%0.219SC..  trans-100.2164.3171.471.10000111.4R771 D772 I773T769-R771 PolarHBondContact O-N 3.16Å; T769-R771 PolarHBondContact OG1-N 2.92Å; T769-D772 WeakPolarHBondContact CB-OD2 3.15Å; T769-D772 PolarHBondContact N-OD2 2.89Å; T769-D772 PolarHBondContact O-N 3.23Å; T769-D772 VanDerWaalsContact O-N 3.08Å; T769-D772 PolarHBondContact OG1-N 3.15Å; T769-D772 PolarHBondContact OG1-OD2 3.32Å; T769-I773 WeakPolarHBondContact O-CG1 3.43Å; T769-I773 PolarHBondContact O-N 2.95Å
770K85.3Confident90.7Very high138 Ų13843.4 Ų43.460%0.622%0.218SC*.Hα-helixtrans-54-36.8172.5-70.6-167.2175.9-168.30111.8E558 I763 I773 L774E558-K770 IonicContact OE1-NZ 3.01Å; I763-K770 HydrophobicContact CD1-CB 4.47Å; I763-K770 HydrophobicContact CD1-CG 3.49Å; I763-K770 VanDerWaalsContact CD1-CG 3.49Å; K770-I773 PolarHBondContact O-N 3.49Å; K770-L774 WeakPolarHBondContact O-CG 3.37Å; K770-L774 PolarHBondContact O-N 2.87Å; K770-L774 VanDerWaalsContact O-N 3.12Å
771R88.8Confident90.6Very high126 Ų12643.6 Ų43.648%0.47522%0.221SC..Hα-helixtrans-65-39178.4-171.7176.2-175.1153.84.5112.3T769 R775 I808T769-R771 PolarHBondContact O-N 3.16Å; T769-R771 PolarHBondContact OG1-N 2.92Å; R771-R775 WeakPolarHBondContact O-CB 3.24Å; R771-R775 PolarHBondContact O-N 3.32Å; R771-I808 HydrophobicContact CG-CD1 3.88Å; R771-I808 HydrophobicContact CG-CG1 4.1Å
772D90.9Very high90.7Very high57 Ų5741.2 Ų41.231%0.30521%0.212SC..Hα-helixtrans-67.2-39.9179.1-57.4-44000111.5W761 V768 T769 R775 R776W761-D772 HydrophobicContact CZ3-CB 4.15Å; V768-D772 HydrophobicContact CB-CB 4.34Å; T769-D772 WeakPolarHBondContact CB-OD2 3.15Å; T769-D772 PolarHBondContact N-OD2 2.89Å; T769-D772 PolarHBondContact O-N 3.23Å; T769-D772 VanDerWaalsContact O-N 3.08Å; T769-D772 PolarHBondContact OG1-N 3.15Å; T769-D772 PolarHBondContact OG1-OD2 3.32Å; D772-R775 PolarHBondContact O-N 2.85Å; D772-R776 PolarHBondContact O-N 3.41Å
773I90.5Very high90.9Very high46 Ų4639.6 Ų39.624%0.23620%0.198CC..Hα-helixtrans-62.9-50.2177-60.8173000110.3W761 I763 V768 T769 K770 R775 R776 S777W761-I773 WeakPolarHBondContact O-CD1 3.46Å; W761-I773 WeakPolarHBondContact O-CG1 3.18Å; I763-I773 HydrophobicContact CG1-CD1 4.02Å; V768-I773 HydrophobicContact CG2-CD1 4.08Å; V768-I773 HydrophobicContact CG2-CG1 4.07Å; T769-I773 WeakPolarHBondContact O-CG1 3.43Å; T769-I773 PolarHBondContact O-N 2.95Å; K770-I773 PolarHBondContact O-N 3.49Å; I773-R775 VanDerWaalsContact C-N 3.34Å; I773-R775 PolarHBondContact O-N 3.27Å; I773-R776 PolarHBondContact O-N 2.93Å; I773-S777 PolarHBondContact O-N 2.88Å; I773-S777 PolarHBondContact O-OG 3.3Å
774L89.6Confident91.2Very high33 Ų3336.9 Ų36.917%0.17318%0.184CC..Hα-helixtrans-61.3-41.9177.5-69.1173.3000111.7K770 S777 A778 V796 I808K770-L774 WeakPolarHBondContact O-CG 3.37Å; K770-L774 PolarHBondContact O-N 2.87Å; K770-L774 VanDerWaalsContact O-N 3.12Å; L774-S777 PolarHBondContact O-N 3.35Å; L774-A778 WeakPolarHBondContact O-CB 3.1Å; L774-A778 PolarHBondContact O-N 3.18Å; L774-V796 HydrophobicContact CB-CG1 4.39Å; L774-V796 HydrophobicContact CD2-CG1 3.88Å; L774-V796 WeakPolarHBondContact O-CG1 3.17Å; L774-I808 HydrophobicContact CB-CD1 3.94Å; L774-I808 HydrophobicContact CD1-CD1 4.45Å
775R92.3Very high91.5Very high73 Ų7336.2 Ų36.228%0.27518%0.177SC..Hα-helixtrans-58.9-49.3175.1175.4-176.3154.2174-8.7111.6R771 D772 I773 S777 A778 L779 I808 I812 E835R771-R775 WeakPolarHBondContact O-CB 3.24Å; R771-R775 PolarHBondContact O-N 3.32Å; D772-R775 PolarHBondContact O-N 2.85Å; I773-R775 VanDerWaalsContact C-N 3.34Å; I773-R775 PolarHBondContact O-N 3.27Å; R775-S777 VanDerWaalsContact C-N 3.32Å; R775-S777 PolarHBondContact O-N 2.86Å; R775-A778 PolarHBondContact O-N 2.73Å; R775-L779 HydrophobicContact CG-CD1 4.21Å; R775-L779 HydrophobicContact CG-CG 4.48Å; R775-L779 WeakPolarHBondContact O-CG 3Å; R775-L779 PolarHBondContact O-N 3.05Å; R775-I808 HydrophobicContact CB-CG2 3.87Å; R775-I808 HydrophobicContact CG-CG2 4.31Å; R775-I812 HydrophobicContact CG-CG2 4.03Å; R775-E835 IonicContact CZ-OE1 2.99Å; R775-E835 IonicContact NH2-OE1 3.33Å; R775-E835 PolarHBondContact NH2-OE1 3.32Å; R775-E835 IonicContact NH2-OE2 2.65Å
776R92.5Very high91.5Very high19 Ų1939.5 Ų39.57%0.07220%0.198CC..Hα-helixtrans-60.1-43.1179.7177171.7-179.8-126.17.9111.8E759 W761 D772 I773 L779 H780 Y840E759-R776 VanDerWaalsContact CD-NH2 3.34Å; E759-R776 IonicContact OE1-CZ 2.95Å; E759-R776 IonicContact OE1-NH2 3.1Å; E759-R776 PolarHBondContact OE1-NH2 3.25Å; E759-R776 IonicContact OE2-CZ 2.7Å; E759-R776 VanDerWaalsContact OE2-CZ 3.27Å; E759-R776 IonicContact OE2-NH1 2.63Å; E759-R776 PolarHBondContact OE2-NH1 3.4Å; E759-R776 IonicContact OE2-NH2 2.65Å; E759-R776 PolarHBondContact OE2-NH2 3.12Å; W761-R776 HydrophobicContact CD2-CG 4.45Å; W761-R776 HydrophobicContact CE3-CB 4.09Å; W761-R776 VanDerWaalsContact CG-CD 3.49Å; W761-R776 HydrophobicContact CZ3-CB 4.11Å; W761-R776 VanDerWaalsContact NE1-CZ 3.34Å; D772-R776 PolarHBondContact O-N 3.41Å; I773-R776 PolarHBondContact O-N 2.93Å; R776-L779 WeakPolarHBondContact O-CB 3.33Å; R776-L779 PolarHBondContact O-N 3.42Å; R776-H780 PolarHBondContact O-N 3.3Å; R776-H780 VanDerWaalsContact O-N 3.12Å; R776-H780 PolarHBondContact O-ND1 2.94Å; R776-Y840 HydrophobicContact CG-CE2 4.4Å
777S91.4Very high91.5Very high15 Ų1539.9 Ų39.911%0.10520%0.201CC..Hα-helixtrans-61.4-45.2176.8-66.20000111.3I773 L774 R775 L779 H780 V781 Y840I773-S777 PolarHBondContact O-N 2.88Å; I773-S777 PolarHBondContact O-OG 3.3Å; L774-S777 PolarHBondContact O-N 3.35Å; R775-S777 VanDerWaalsContact C-N 3.32Å; R775-S777 PolarHBondContact O-N 2.86Å; S777-L779 PolarHBondContact O-N 3.03Å; S777-H780 PolarHBondContact O-N 3.26Å; S777-V781 PolarHBondContact O-N 3.36Å; S777-V781 VanDerWaalsContact O-N 3.12Å; S777-Y840 PolarHBondContact OG-OH 3.45Å
778A92.4Very high91.4Very high0 Ų037.4 Ų37.40%019%0.189CC..Hα-helixtrans-63.7-39.3177.100000112.8L774 R775 H780 V781 L782 V796 F805 I812L774-A778 WeakPolarHBondContact O-CB 3.1Å; L774-A778 PolarHBondContact O-N 3.18Å; R775-A778 PolarHBondContact O-N 2.73Å; A778-H780 VanDerWaalsContact C-N 3.32Å; A778-H780 PolarHBondContact O-N 3.31Å; A778-V781 PolarHBondContact O-N 2.88Å; A778-L782 WeakPolarHBondContact O-CG 3.36Å; A778-L782 PolarHBondContact O-N 3.07Å; A778-L782 VanDerWaalsContact O-N 3.09Å; A778-V796 HydrophobicContact CB-CG2 4.1Å; A778-F805 HydrophobicContact CB-CE2 4.21Å; A778-I812 HydrophobicContact CB-CD1 3.61Å
779L94.5Very high91.3Very high1 Ų136.8 Ų36.81%0.00519%0.185CC..Hα-helixtrans-57.4-44.2172.8-72.9171.9000111.7R775 R776 S777 V781 L782 F783 I812 L828 Y832 E835R775-L779 HydrophobicContact CG-CD1 4.21Å; R775-L779 HydrophobicContact CG-CG 4.48Å; R775-L779 WeakPolarHBondContact O-CG 3Å; R775-L779 PolarHBondContact O-N 3.05Å; R776-L779 WeakPolarHBondContact O-CB 3.33Å; R776-L779 PolarHBondContact O-N 3.42Å; S777-L779 PolarHBondContact O-N 3.03Å; L779-V781 VanDerWaalsContact C-N 3.33Å; L779-V781 PolarHBondContact O-N 3.08Å; L779-L782 CarbonylContact O-C 3.54Å; L779-L782 PolarHBondContact O-N 2.98Å; L779-L782 VanDerWaalsContact O-N 3.1Å; L779-F783 HydrophobicContact CB-CD2 4.4Å; L779-F783 HydrophobicContact CB-CE2 3.88Å; L779-F783 HydrophobicContact CB-CZ 4.46Å; L779-F783 WeakPolarHBondContact O-CD2 3.21Å; L779-F783 VanDerWaalsContact O-CG 3.31Å; L779-F783 WeakPolarHBondContact O-CG 3.1Å; L779-F783 PolarHBondContact O-N 3.07Å; L779-I812 HydrophobicContact CD2-CB 3.99Å; L779-I812 HydrophobicContact CD2-CD1 4.04Å; L779-I812 HydrophobicContact CD2-CG1 4.49Å; L779-I812 HydrophobicContact CD2-CG2 4.17Å; L779-I812 HydrophobicContact CG-CD1 4.13Å; L779-L828 HydrophobicContact CD2-CD1 3.44Å; L779-L828 VanDerWaalsContact CD2-CD1 3.44Å; L779-Y832 HydrophobicContact CD2-CD1 4.45Å; L779-Y832 HydrophobicContact CD2-CD2 4.37Å; L779-Y832 HydrophobicContact CD2-CG 3.93Å; L779-E835 WeakPolarHBondContact CD1-OE2 3.48Å
780H94.3Very high91Very high4 Ų434 Ų342%0.01917%0.169CC..Hα-helixtrans-72.6-21.9-179.9-72.180000114.4R776 S777 A778 F783 Q784 N837 Y840 Y843R776-H780 PolarHBondContact O-N 3.3Å; R776-H780 VanDerWaalsContact O-N 3.12Å; R776-H780 PolarHBondContact O-ND1 2.94Å; S777-H780 PolarHBondContact O-N 3.26Å; A778-H780 VanDerWaalsContact C-N 3.32Å; A778-H780 PolarHBondContact O-N 3.31Å; H780-F783 HydrophobicContact CB-CD2 4.47Å; H780-F783 AromaticContact CD2-CD2 3.95Å; H780-Q784 PolarHBondContact O-NE2 2.92Å; H780-N837 PolarHBondContact NE2-N 3.1Å; H780-Y840 HydrophobicContact CB-CD1 3.71Å; H780-Y840 HydrophobicContact CB-CD2 4.34Å; H780-Y840 HydrophobicContact CB-CE1 3.6Å; H780-Y840 HydrophobicContact CB-CE2 4.27Å; H780-Y840 HydrophobicContact CB-CG 4.07Å; H780-Y840 WeakPolarHBondContact CD2-CB 3.37Å; H780-Y840 AromaticContact CD2-CD1 3.77Å; H780-Y840 AromaticContact CD2-CD2 3.46Å; H780-Y840 VanDerWaalsContact CD2-CD2 3.46Å; H780-Y840 WeakPolarHBondContact CD2-CD2 3.33Å; H780-Y840 AromaticContact CD2-CG 3.24Å; H780-Y840 AromaticContact CE1-CD2 3.82Å; H780-Y840 AromaticContact CG-CD1 3.79Å; H780-Y840 AromaticContact CG-CD2 3.61Å; H780-Y840 AromaticContact CG-CE1 3.95Å; H780-Y840 AromaticContact CG-CE2 3.8Å; H780-Y840 AromaticContact CG-CG 3.6Å; H780-Y840 AromaticContact CG-CZ 3.97Å; H780-Y840 AromaticContact ND1-CD2 3.82Å; H780-Y840 AromaticContact ND1-CE2 3.82Å; H780-Y840 AromaticContact NE2-CD2 3.61Å; H780-Y840 AromaticContact NE2-CG 3.81Å; H780-Y843 HydrophobicContact CB-CE1 4.06Å; H780-Y843 AromaticContact CD2-CZ 3.95Å; H780-Y843 PolarHBondContact CD2-OH 3.09Å; H780-Y843 WeakPolarHBondContact O-CE1 3.39Å; H780-Y843 PolarHBondContact O-OH 3.38Å
781V92.7Very high91Very high12 Ų1231.8 Ų31.87%0.07316%0.159CC..Hα-helixtrans-68.6-46164.5179.30000110.2S777 A778 L779 F783 Q784 A787 L792 C795 V796S777-V781 PolarHBondContact O-N 3.36Å; S777-V781 VanDerWaalsContact O-N 3.12Å; A778-V781 PolarHBondContact O-N 2.88Å; L779-V781 VanDerWaalsContact C-N 3.33Å; L779-V781 PolarHBondContact O-N 3.08Å; V781-F783 VanDerWaalsContact C-N 3.32Å; V781-F783 PolarHBondContact O-N 3.23Å; V781-Q784 WeakPolarHBondContact O-CB 3.21Å; V781-Q784 PolarHBondContact O-N 3.42Å; V781-Q784 VanDerWaalsContact O-N 3.12Å; V781-A787 HydrophobicContact CG1-CB 4Å; V781-L792 HydrophobicContact CB-CD2 3.72Å; V781-L792 HydrophobicContact CG1-CD2 3.59Å; V781-L792 HydrophobicContact CG1-CG 4.34Å; V781-C795 HydrophobicContact CG2-CB 3.52Å; V781-V796 HydrophobicContact CG2-CG2 3.88Å
782L94.6Very high91Very high2 Ų225.8 Ų25.81%0.0114%0.136CC..Hα-helixtrans-72.1-21.8-178.8-66171.5000114.1A778 L779 Q784 G785 A787 L792 I812 A813 Y826 L828A778-L782 WeakPolarHBondContact O-CG 3.36Å; A778-L782 PolarHBondContact O-N 3.07Å; A778-L782 VanDerWaalsContact O-N 3.09Å; L779-L782 CarbonylContact O-C 3.54Å; L779-L782 PolarHBondContact O-N 2.98Å; L779-L782 VanDerWaalsContact O-N 3.1Å; L782-Q784 PolarHBondContact O-N 3.07Å; L782-G785 PolarHBondContact O-N 2.93Å; L782-G785 VanDerWaalsContact O-N 3.14Å; L782-A787 HydrophobicContact CD2-CB 4.2Å; L782-L792 HydrophobicContact CD1-CD2 4.45Å; L782-L792 HydrophobicContact CD2-CD1 4.25Å; L782-L792 HydrophobicContact CD2-CD2 3.95Å; L782-L792 HydrophobicContact CG-CD2 3.82Å; L782-I812 HydrophobicContact CD1-CD1 4.03Å; L782-I812 HydrophobicContact CD1-CG1 4.06Å; L782-A813 HydrophobicContact CD1-CB 3.68Å; L782-Y826 VanDerWaalsContact CD2-O 3.3Å; L782-Y826 WeakPolarHBondContact CD2-O 3.36Å; L782-L828 HydrophobicContact CB-CB 4.08Å; L782-L828 HydrophobicContact CB-CD1 4.03Å; L782-L828 HydrophobicContact CD1-CD1 4.11Å
783F94.3Very high90.6Very high0 Ų024.2 Ų24.20%013%0.127CC..THydrogen-bonded Turntrans-68.4-17.2170.6-71.8-49.5000112.9L779 H780 V781 G785 L828 Y832 E835 Y836 F854 Q855L779-F783 HydrophobicContact CB-CD2 4.4Å; L779-F783 HydrophobicContact CB-CE2 3.88Å; L779-F783 HydrophobicContact CB-CZ 4.46Å; L779-F783 WeakPolarHBondContact O-CD2 3.21Å; L779-F783 VanDerWaalsContact O-CG 3.31Å; L779-F783 WeakPolarHBondContact O-CG 3.1Å; L779-F783 PolarHBondContact O-N 3.07Å; H780-F783 HydrophobicContact CB-CD2 4.47Å; H780-F783 AromaticContact CD2-CD2 3.95Å; V781-F783 VanDerWaalsContact C-N 3.32Å; V781-F783 PolarHBondContact O-N 3.23Å; F783-G785 VanDerWaalsContact C-N 3.32Å; F783-L828 HydrophobicContact CD1-CD2 3.53Å; F783-L828 HydrophobicContact CE1-CD2 3.27Å; F783-L828 HydrophobicContact CZ-CD2 4.15Å; F783-Y832 WeakPolarHBondContact CZ-O 3.46Å; F783-E835 HydrophobicContact CZ-CB 4.39Å; F783-Y836 HydrophobicContact CB-CD2 3.68Å; F783-Y836 HydrophobicContact CB-CE2 3.95Å; F783-Y836 AromaticContact CD1-CD2 3.94Å; F783-Y836 HydrophobicContact CD1-CD2 3.94Å; F783-Y836 HydrophobicContact CD1-CG 4.28Å; F783-Y836 AromaticContact CD2-CD2 3.61Å; F783-Y836 HydrophobicContact CD2-CD2 3.61Å; F783-Y836 HydrophobicContact CD2-CG 4.39Å; F783-Y836 HydrophobicContact CE1-CD2 4.5Å; F783-Y836 VanDerWaalsContact CE2-CA 3.5Å; F783-Y836 HydrophobicContact CE2-CD2 4.24Å; F783-Y836 AromaticContact CG-CD2 3.49Å; F783-Y836 HydrophobicContact CG-CD2 3.49Å; F783-Y836 VanDerWaalsContact CG-CD2 3.49Å; F783-Y836 HydrophobicContact CG-CE2 4.28Å; F783-Y836 HydrophobicContact CG-CG 4.26Å; F783-F854 WeakPolarHBondContact O-CD1 3.29Å; F783-Q855 PolarHBondContact O-NE2 3.14Å
784Q92.8Very high90Very high30 Ų3028.1 Ų28.114%0.1414%0.144CC..THydrogen-bonded Turntrans-79.9-16.7171.7-64.7160.666.800112.4H780 V781 L782 Y843 A851 F854H780-Q784 PolarHBondContact O-NE2 2.92Å; V781-Q784 WeakPolarHBondContact O-CB 3.21Å; V781-Q784 PolarHBondContact O-N 3.42Å; V781-Q784 VanDerWaalsContact O-N 3.12Å; L782-Q784 PolarHBondContact O-N 3.07Å; Q784-Y843 HydrophobicContact CG-CE1 4.23Å; Q784-A851 HydrophobicContact CG-CB 3.96Å; Q784-F854 WeakPolarHBondContact O-CB 3.06Å
785G91.2Very high89.4Confident9 Ų927.6 Ų27.69%0.09314%0.143CC..SBendtrans136-178.5-178.200000112.3L782 F783 A787L782-G785 PolarHBondContact O-N 2.93Å; L782-G785 VanDerWaalsContact O-N 3.14Å; F783-G785 VanDerWaalsContact C-N 3.32Å; G785-A787 PolarHBondContact O-N 3.29Å
786P91.3Very high88.6Confident69 Ų6924.7 Ų24.745%0.44813%0.134SC..  trans-58131.9174.1-2233.4000111.3Y826P786-Y826 VanDerWaalsContact CA-O 3.26Å; P786-Y826 WeakPolarHBondContact CA-O 3.32Å
787A91.1Very high87.3Confident10 Ų1024.5 Ų24.58%0.08314%0.136CC..BIsolated β-bridgetrans-125.9149-17600000111.3V781 L782 G785 K791 L792 T825 Y826V781-A787 HydrophobicContact CG1-CB 4Å; L782-A787 HydrophobicContact CD2-CB 4.2Å; G785-A787 PolarHBondContact O-N 3.29Å; A787-K791 HydrophobicContact CB-CB 4.45Å; A787-K791 HydrophobicContact CB-CG 4.43Å; A787-L792 HydrophobicContact CB-CD2 4.33Å; A787-L792 HydrophobicContact CB-CG 4.07Å; A787-T825 CarbonylContact O-C 3.52Å; A787-T825 WeakPolarHBondContact O-CA 3.49Å; A787-Y826 PolarHBondContact N-O 2.88Å; A787-Y826 PolarHBondContact O-N 2.69Å
788T88.9Confident85.8Confident46 Ų4628 Ų2828%0.28215%0.15SC..  trans-72.3159.6170.375.30000110S790 K791 L792 T825 E1765T788-S790 VanDerWaalsContact C-N 3.3Å; T788-S790 PolarHBondContact O-N 3.34Å; T788-K791 PolarHBondContact O-N 2.94Å; T788-K791 PolarHBondContact OG1-N 3.45Å; T788-L792 PolarHBondContact O-N 3.43Å; T788-L792 VanDerWaalsContact O-N 3.08Å; T788-T825 HydrophobicContact CG2-CG2 4.2Å; T788-E1765 VanDerWaalsContact CB-CD 3.44Å; T788-E1765 WeakPolarHBondContact CB-OE1 3.36Å; T788-E1765 PolarHBondContact OG1-OE2 2.91Å
789F88.2Confident84.1Confident6 Ų633.1 Ų33.13%0.02618%0.178CC..Hα-helixtrans-57.8-44176.6-170.2-96.3000111.5K791 L792 E793 F805 E806 V809 Y826 H1763 E1765F789-K791 VanDerWaalsContact C-N 3.28Å; F789-K791 PolarHBondContact O-N 3.28Å; F789-L792 WeakPolarHBondContact O-CA 3.06Å; F789-L792 WeakPolarHBondContact O-CB 3.19Å; F789-L792 PolarHBondContact O-N 2.94Å; F789-L792 VanDerWaalsContact O-N 3.09Å; F789-E793 HydrophobicContact CE1-CB 4.33Å; F789-E793 PolarHBondContact O-N 2.68Å; F789-F805 HydrophobicContact CE2-CD1 4.21Å; F789-F805 HydrophobicContact CE2-CE1 4.31Å; F789-F805 AromaticContact CZ-CD1 3.8Å; F789-F805 HydrophobicContact CZ-CD1 3.8Å; F789-F805 HydrophobicContact CZ-CE1 4.17Å; F789-E806 HydrophobicContact CE1-CG 4.41Å; F789-E806 HydrophobicContact CE2-CB 4.42Å; F789-E806 HydrophobicContact CE2-CG 3.66Å; F789-E806 HydrophobicContact CZ-CB 4.47Å; F789-E806 HydrophobicContact CZ-CG 3.4Å; F789-V809 HydrophobicContact CD2-CG1 4.48Å; F789-V809 HydrophobicContact CE2-CB 4.41Å; F789-V809 HydrophobicContact CE2-CG2 4.19Å; F789-Y826 HydrophobicContact CB-CD2 4.38Å; F789-Y826 HydrophobicContact CB-CE2 3.7Å; F789-Y826 HydrophobicContact CD2-CE2 4.03Å; F789-Y826 HydrophobicContact CG-CE2 4.36Å; F789-H1763 HydrophobicContact CB-CB 3.91Å; F789-H1763 AromaticContact CD1-CD2 3.47Å; F789-H1763 VanDerWaalsContact CD1-CD2 3.47Å; F789-H1763 WeakPolarHBondContact CD1-CD2 3.48Å; F789-H1763 AromaticContact CD1-NE2 3.44Å; F789-H1763 WeakPolarHBondContact CD1-NE2 3.31Å; F789-H1763 AromaticContact CD2-CE1 3.94Å; F789-H1763 AromaticContact CE1-NE2 3.7Å; F789-H1763 AromaticContact CG-CD2 3.54Å; F789-H1763 AromaticContact CG-CE1 3.92Å; F789-H1763 AromaticContact CG-CG 3.84Å; F789-H1763 AromaticContact CG-NE2 3.6Å; F789-E1765 WeakPolarHBondContact CA-OE1 3.46Å; F789-E1765 VanDerWaalsContact CB-OE1 3.3Å; F789-E1765 WeakPolarHBondContact CB-OE1 3.11Å; F789-E1765 PolarHBondContact N-OE1 2.71Å
790S83.8Confident82.2Confident17 Ų1739.4 Ų39.412%0.11920%0.201CC..Hα-helixtrans-65.1-34.7-179.9-56.80000112.3T788 L792 E793 Q794 E1765 R1772T788-S790 VanDerWaalsContact C-N 3.3Å; T788-S790 PolarHBondContact O-N 3.34Å; S790-L792 VanDerWaalsContact C-N 3.32Å; S790-E793 PolarHBondContact O-N 3.41Å; S790-Q794 WeakPolarHBondContact O-CB 3.37Å; S790-Q794 PolarHBondContact O-N 3.44Å; S790-E1765 WeakPolarHBondContact CB-OE2 3.25Å; S790-E1765 PolarHBondContact N-OE1 2.8Å; S790-E1765 VanDerWaalsContact N-OE1 3.14Å; S790-E1765 PolarHBondContact N-OE2 3.47Å; S790-E1765 PolarHBondContact OG-OE2 3.2Å; S790-R1772 WeakPolarHBondContact OG-CD 3.35Å; S790-R1772 PolarHBondContact OG-NH1 2.9Å
791K85.8Confident80.2Confident92 Ų9242.6 Ų42.640%0.422%0.224SC..Hα-helixtrans-65.7-38.5174.7-174.958.5176.1176.60111.3A787 T788 F789 C795A787-K791 HydrophobicContact CB-CB 4.45Å; A787-K791 HydrophobicContact CB-CG 4.43Å; T788-K791 PolarHBondContact O-N 2.94Å; T788-K791 PolarHBondContact OG1-N 3.45Å; F789-K791 VanDerWaalsContact C-N 3.28Å; F789-K791 PolarHBondContact O-N 3.28Å; K791-C795 VanDerWaalsContact O-CB 3.31Å; K791-C795 WeakPolarHBondContact O-CB 3.26Å; K791-C795 PolarHBondContact O-N 2.94Å; K791-C795 PolarHBondContact O-SG 3.28Å; K791-C795 VanDerWaalsContact O-SG 3.41Å
792L87.6Confident78.6Confident0 Ų045.9 Ų45.90%024%0.241CC..Hα-helixtrans-64.5-50173.4-72.3164.9000111.3V781 L782 A787 T788 F789 S790 C795 V796 F805 V809 Y826V781-L792 HydrophobicContact CB-CD2 3.72Å; V781-L792 HydrophobicContact CG1-CD2 3.59Å; V781-L792 HydrophobicContact CG1-CG 4.34Å; L782-L792 HydrophobicContact CD1-CD2 4.45Å; L782-L792 HydrophobicContact CD2-CD1 4.25Å; L782-L792 HydrophobicContact CD2-CD2 3.95Å; L782-L792 HydrophobicContact CG-CD2 3.82Å; A787-L792 HydrophobicContact CB-CD2 4.33Å; A787-L792 HydrophobicContact CB-CG 4.07Å; T788-L792 PolarHBondContact O-N 3.43Å; T788-L792 VanDerWaalsContact O-N 3.08Å; F789-L792 WeakPolarHBondContact O-CA 3.06Å; F789-L792 WeakPolarHBondContact O-CB 3.19Å; F789-L792 PolarHBondContact O-N 2.94Å; F789-L792 VanDerWaalsContact O-N 3.09Å; S790-L792 VanDerWaalsContact C-N 3.32Å; L792-C795 PolarHBondContact O-N 2.84Å; L792-V796 WeakPolarHBondContact O-CB 3.13Å; L792-V796 WeakPolarHBondContact O-CG2 3.06Å; L792-V796 PolarHBondContact O-N 2.63Å; L792-F805 HydrophobicContact CB-CE1 4.11Å; L792-F805 HydrophobicContact CB-CZ 3.96Å; L792-V809 HydrophobicContact CD1-CG1 3.85Å; L792-V809 HydrophobicContact CD1-CG2 4.23Å; L792-Y826 HydrophobicContact CD1-CD2 4.16Å; L792-Y826 HydrophobicContact CD1-CG 4.1Å
793E83.1Confident77.2Confident24 Ų2449 Ų4911%0.11226%0.258CS..Hα-helixtrans-60-49.9-179.6-167.5177.1-146.300110.7R116 F789 S790 C795 V796 S797 F805R116-E793 IonicContact NH1-OE1 3.68Å; R116-E793 PolarHBondContact NH1-OE1 2.98Å; F789-E793 HydrophobicContact CE1-CB 4.33Å; F789-E793 PolarHBondContact O-N 2.68Å; S790-E793 PolarHBondContact O-N 3.41Å; E793-C795 VanDerWaalsContact C-N 3.35Å; E793-C795 PolarHBondContact O-N 2.9Å; E793-V796 PolarHBondContact O-N 3.42Å; E793-S797 PolarHBondContact O-N 3.2Å; E793-S797 VanDerWaalsContact O-O 3.12Å; E793-F805 HydrophobicContact CB-CD1 4.4Å; E793-F805 HydrophobicContact CB-CE1 3.98Å; E793-F805 HydrophobicContact CG-CD1 4.46Å; E793-F805 HydrophobicContact CG-CE1 4.48Å
794Q78.2Confident76.1Confident128 Ų12850.3 Ų50.360%0.59827%0.267SS*.Hα-helixtrans-62.4-35.6-179-171.6-174.81900113.6F687 S790F687-Q794 WeakPolarHBondContact CE1-O 3.15Å; F687-Q794 VanDerWaalsContact CZ-O 3.25Å; F687-Q794 WeakPolarHBondContact CZ-O 3.42Å; S790-Q794 WeakPolarHBondContact O-CB 3.37Å; S790-Q794 PolarHBondContact O-N 3.44Å
795C76.4Confident75.6Confident22 Ų2249.2 Ų49.215%0.14926%0.262CS..Hα-helixtrans-86.7-9.3-178-72.80000113.7F687 V781 K791 L792 E793F687-C795 VanDerWaalsContact CE2-C 3.48Å; F687-C795 VanDerWaalsContact CE2-O 3.23Å; F687-C795 WeakPolarHBondContact CE2-O 3.27Å; V781-C795 HydrophobicContact CG2-CB 3.52Å; K791-C795 VanDerWaalsContact O-CB 3.31Å; K791-C795 WeakPolarHBondContact O-CB 3.26Å; K791-C795 PolarHBondContact O-N 2.94Å; K791-C795 PolarHBondContact O-SG 3.28Å; K791-C795 VanDerWaalsContact O-SG 3.41Å; L792-C795 PolarHBondContact O-N 2.84Å; E793-C795 VanDerWaalsContact C-N 3.35Å; E793-C795 PolarHBondContact O-N 2.9Å
796V74.9Confident75.2Confident13 Ų1351.3 Ų51.38%0.07927%0.269CS..Hα-helixtrans-122.1-46.8-169.6178.90000113.3L774 A778 V781 L792 E793 F805L774-V796 HydrophobicContact CB-CG1 4.39Å; L774-V796 HydrophobicContact CD2-CG1 3.88Å; L774-V796 WeakPolarHBondContact O-CG1 3.17Å; A778-V796 HydrophobicContact CB-CG2 4.1Å; V781-V796 HydrophobicContact CG2-CG2 3.88Å; L792-V796 WeakPolarHBondContact O-CB 3.13Å; L792-V796 WeakPolarHBondContact O-CG2 3.06Å; L792-V796 PolarHBondContact O-N 2.63Å; E793-V796 PolarHBondContact O-N 3.42Å; V796-F805 HydrophobicContact CB-CE2 3.81Å; V796-F805 HydrophobicContact CB-CZ 3.93Å; V796-F805 HydrophobicContact CG1-CD2 4.31Å; V796-F805 HydrophobicContact CG1-CE2 3.5Å; V796-F805 VanDerWaalsContact CG1-CE2 3.5Å; V796-F805 HydrophobicContact CG1-CZ 4.15Å; V796-F805 HydrophobicContact CG2-CE2 4.34Å; V796-F805 HydrophobicContact CG2-CZ 4.26Å
797S66.3Low74.9Confident15 Ų1553.5 Ų53.511%0.10527%0.274CS..  trans-116.7130.9-173.9-166.60000111.2E793 D799E793-S797 PolarHBondContact O-N 3.2Å; E793-S797 VanDerWaalsContact O-O 3.12Å; S797-D799 PolarHBondContact OG-N 3.12Å; S797-D799 PolarHBondContact OG-O 3.47Å
798Q59.8Low74.7Confident87 Ų8753.1 Ų53.141%0.40727%0.27SS..SBendtrans-81.4-27163.7-67.9-177.8-11.900110.9Q554 F687 R800Q554-Q798 VanDerWaalsContact NE2-OE1 3.15Å; F687-Q798 HydrophobicContact CE1-CG 3.95Å; F687-Q798 HydrophobicContact CZ-CG 4.02Å; Q798-R800 PolarHBondContact O-N 3.36Å
799D56.6Low74.7Confident109 Ų10951 Ų5158%0.58326%0.257SS*.  trans-87106.1179.1-74.7-35.2000111.4S797 S801S797-D799 PolarHBondContact OG-N 3.12Å; S797-D799 PolarHBondContact OG-O 3.47Å; D799-S801 VanDerWaalsContact C-N 3.26Å; D799-S801 PolarHBondContact O-N 3.09Å
800R53.8Low74.7Confident132 Ų13254.2 Ų54.250%0.49828%0.28SS..THydrogen-bonded Turntrans-76.7-7.2177-64-171.3180-165.81.7114.5R116 Q798R116-R800 PolarHBondContact NH1-O 3.25Å; R116-R800 VanDerWaalsContact NH1-O 3.13Å; Q798-R800 PolarHBondContact O-N 3.36Å
801S53.2Low75.1Confident72 Ų7255.5 Ų55.550%0.50329%0.29SS..THydrogen-bonded Turntrans-91.8-9.7-171.151.60000114D799 N803D799-S801 VanDerWaalsContact C-N 3.26Å; D799-S801 PolarHBondContact O-N 3.09Å; S801-N803 PolarHBondContact O-N 3.12Å
802D59.1Low75.4Confident80 Ų8051.1 Ų51.143%0.42827%0.27SS..  trans-90.6106.4-174.1-166.40.4000113.1S804 F805D802-S804 PolarHBondContact O-N 2.85Å; D802-S804 WeakPolarHBondContact OD1-CB 3.49Å; D802-S804 PolarHBondContact OD1-N 3.48Å; D802-S804 PolarHBondContact OD1-OG 3.2Å; D802-S804 WeakPolarHBondContact OD2-CB 3.5Å; D802-S804 PolarHBondContact OD2-OG 2.9Å; D802-F805 PolarHBondContact O-N 3.25Å
803N64.6Low75.7Confident68 Ų6851.4 Ų51.436%0.36427%0.272SS..THydrogen-bonded Turntrans-60.3-12.7171.5-77.3-31.4000113.5S801 F805S801-N803 PolarHBondContact O-N 3.12Å; N803-F805 PolarHBondContact O-N 2.9Å
804S71.4Confident76.1Confident28 Ų2854.5 Ų54.520%0.19629%0.29CS..Hα-helixtrans-65.1-27.6177.4860000112.7D802 Q807 I808D802-S804 PolarHBondContact O-N 2.85Å; D802-S804 WeakPolarHBondContact OD1-CB 3.49Å; D802-S804 PolarHBondContact OD1-N 3.48Å; D802-S804 PolarHBondContact OD1-OG 3.2Å; D802-S804 WeakPolarHBondContact OD2-CB 3.5Å; D802-S804 PolarHBondContact OD2-OG 2.9Å; S804-Q807 WeakPolarHBondContact O-CB 3.45Å; S804-Q807 PolarHBondContact O-N 3.5Å; S804-I808 WeakPolarHBondContact O-CG1 3.15Å; S804-I808 PolarHBondContact O-N 2.84Å; S804-I808 VanDerWaalsContact O-N 3.09Å
805F82.8Confident76.7Confident7 Ų752.6 Ų52.63%0.03128%0.28CS..Hα-helixtrans-66.4-43.5-175-173.9-113.2000112.9A778 F789 L792 E793 V796 D802 N803 Q807 I808 V809A778-F805 HydrophobicContact CB-CE2 4.21Å; F789-F805 HydrophobicContact CE2-CD1 4.21Å; F789-F805 HydrophobicContact CE2-CE1 4.31Å; F789-F805 AromaticContact CZ-CD1 3.8Å; F789-F805 HydrophobicContact CZ-CD1 3.8Å; F789-F805 HydrophobicContact CZ-CE1 4.17Å; L792-F805 HydrophobicContact CB-CE1 4.11Å; L792-F805 HydrophobicContact CB-CZ 3.96Å; E793-F805 HydrophobicContact CB-CD1 4.4Å; E793-F805 HydrophobicContact CB-CE1 3.98Å; E793-F805 HydrophobicContact CG-CD1 4.46Å; E793-F805 HydrophobicContact CG-CE1 4.48Å; V796-F805 HydrophobicContact CB-CE2 3.81Å; V796-F805 HydrophobicContact CB-CZ 3.93Å; V796-F805 HydrophobicContact CG1-CD2 4.31Å; V796-F805 HydrophobicContact CG1-CE2 3.5Å; V796-F805 VanDerWaalsContact CG1-CE2 3.5Å; V796-F805 HydrophobicContact CG1-CZ 4.15Å; V796-F805 HydrophobicContact CG2-CE2 4.34Å; V796-F805 HydrophobicContact CG2-CZ 4.26Å; D802-F805 PolarHBondContact O-N 3.25Å; N803-F805 PolarHBondContact O-N 2.9Å; F805-Q807 VanDerWaalsContact C-N 3.26Å; F805-Q807 PolarHBondContact O-N 3.02Å; F805-I808 WeakPolarHBondContact O-CA 3.38Å; F805-I808 WeakPolarHBondContact O-CB 3.11Å; F805-I808 PolarHBondContact O-N 3.42Å; F805-V809 HydrophobicContact CD1-CG2 4.14Å; F805-V809 HydrophobicContact CE1-CG2 3.71Å; F805-V809 HydrophobicContact CE2-CG2 4.16Å; F805-V809 HydrophobicContact CZ-CG2 3.73Å; F805-V809 WeakPolarHBondContact O-CG2 3.43Å; F805-V809 PolarHBondContact O-N 3.09Å
806E81.9Confident77Confident53 Ų5356.8 Ų56.825%0.24830%0.295CS..Hα-helixtrans-59.2-38.2175.3-76177.8-15000112.5K140 F789 I808 V809 S810K140-E806 IonicContact NZ-OE1 3.47Å; K140-E806 PolarHBondContact NZ-OE1 2.65Å; K140-E806 IonicContact NZ-OE2 2.82Å; K140-E806 PolarHBondContact NZ-OE2 3.14Å; F789-E806 HydrophobicContact CE1-CG 4.41Å; F789-E806 HydrophobicContact CE2-CB 4.42Å; F789-E806 HydrophobicContact CE2-CG 3.66Å; F789-E806 HydrophobicContact CZ-CB 4.47Å; F789-E806 HydrophobicContact CZ-CG 3.4Å; E806-I808 VanDerWaalsContact C-N 3.32Å; E806-V809 PolarHBondContact O-N 3.4Å; E806-S810 WeakPolarHBondContact O-CB 3.29Å; E806-S810 PolarHBondContact O-N 3.19Å; E806-S810 PolarHBondContact O-OG 3.41Å
807Q84.9Confident77.1Confident115 Ų11560.1 Ų60.154%0.53732%0.318SS..Hα-helixtrans-66.6-37.5176.8-60.5-179.91.800111.1S804 F805 S811S804-Q807 WeakPolarHBondContact O-CB 3.45Å; S804-Q807 PolarHBondContact O-N 3.5Å; F805-Q807 VanDerWaalsContact C-N 3.26Å; F805-Q807 PolarHBondContact O-N 3.02Å; Q807-S811 WeakPolarHBondContact O-CB 3.33Å; Q807-S811 PolarHBondContact O-N 3.08Å
808I87.9Confident77.3Confident1 Ų161.7 Ų61.71%0.00533%0.327CS..Hα-helixtrans-63.7-51.8173.8-65.2167.5000109.7R771 L774 R775 S804 F805 E806 S810 S811 I812R771-I808 HydrophobicContact CG-CD1 3.88Å; R771-I808 HydrophobicContact CG-CG1 4.1Å; L774-I808 HydrophobicContact CB-CD1 3.94Å; L774-I808 HydrophobicContact CD1-CD1 4.45Å; R775-I808 HydrophobicContact CB-CG2 3.87Å; R775-I808 HydrophobicContact CG-CG2 4.31Å; S804-I808 WeakPolarHBondContact O-CG1 3.15Å; S804-I808 PolarHBondContact O-N 2.84Å; S804-I808 VanDerWaalsContact O-N 3.09Å; F805-I808 WeakPolarHBondContact O-CA 3.38Å; F805-I808 WeakPolarHBondContact O-CB 3.11Å; F805-I808 PolarHBondContact O-N 3.42Å; E806-I808 VanDerWaalsContact C-N 3.32Å; I808-S810 VanDerWaalsContact C-N 3.33Å; I808-S810 PolarHBondContact O-N 3.34Å; I808-S811 WeakPolarHBondContact O-CB 3.32Å; I808-S811 PolarHBondContact O-N 2.88Å; I808-S811 PolarHBondContact O-OG 2.95Å; I808-I812 HydrophobicContact CG2-CD1 4.41Å; I808-I812 WeakPolarHBondContact O-CG1 3.36Å; I808-I812 PolarHBondContact O-N 3.18Å; I808-I812 VanDerWaalsContact O-N 3.12Å
809V88.8Confident77.5Confident1 Ų162 Ų621%0.00634%0.335CS..Hα-helixtrans-57.6-46.5179.5174.80000110.9F789 L792 F805 E806 S811 I812 A813 Y826F789-V809 HydrophobicContact CD2-CG1 4.48Å; F789-V809 HydrophobicContact CE2-CB 4.41Å; F789-V809 HydrophobicContact CE2-CG2 4.19Å; L792-V809 HydrophobicContact CD1-CG1 3.85Å; L792-V809 HydrophobicContact CD1-CG2 4.23Å; F805-V809 HydrophobicContact CD1-CG2 4.14Å; F805-V809 HydrophobicContact CE1-CG2 3.71Å; F805-V809 HydrophobicContact CE2-CG2 4.16Å; F805-V809 HydrophobicContact CZ-CG2 3.73Å; F805-V809 WeakPolarHBondContact O-CG2 3.43Å; F805-V809 PolarHBondContact O-N 3.09Å; E806-V809 PolarHBondContact O-N 3.4Å; V809-S811 PolarHBondContact O-N 2.97Å; V809-I812 PolarHBondContact O-N 3.2Å; V809-A813 HydrophobicContact CG1-CB 4.47Å; V809-A813 WeakPolarHBondContact O-CB 3.18Å; V809-A813 PolarHBondContact O-N 2.63Å; V809-Y826 HydrophobicContact CG1-CD1 3.44Å; V809-Y826 VanDerWaalsContact CG1-CD1 3.44Å; V809-Y826 HydrophobicContact CG1-CE1 3.65Å; V809-Y826 HydrophobicContact CG1-CG 3.9Å
810S87.8Confident77.5Confident74 Ų7459.4 Ų59.452%0.51732%0.323SS..Hα-helixtrans-62.4-30.3177.1-58.20000113E806 I808 K829E806-S810 WeakPolarHBondContact O-CB 3.29Å; E806-S810 PolarHBondContact O-N 3.19Å; E806-S810 PolarHBondContact O-OG 3.41Å; I808-S810 VanDerWaalsContact C-N 3.33Å; I808-S810 PolarHBondContact O-N 3.34Å; S810-K829 PolarHBondContact O-NZ 3.26Å; S810-K829 VanDerWaalsContact O-NZ 3.1Å
811S91.7Very high77.7Confident45 Ų4558.3 Ų58.332%0.31534%0.335SS..Hα-helixtrans-72.9-35.9176.774.90000112.5Q807 I808 V809 K829Q807-S811 WeakPolarHBondContact O-CB 3.33Å; Q807-S811 PolarHBondContact O-N 3.08Å; I808-S811 WeakPolarHBondContact O-CB 3.32Å; I808-S811 PolarHBondContact O-N 2.88Å; I808-S811 PolarHBondContact O-OG 2.95Å; V809-S811 PolarHBondContact O-N 2.97Å; S811-K829 PolarHBondContact O-NZ 2.89Å
812I92.6Very high78.3Confident0 Ų057.5 Ų57.50%033%0.332CS..Hα-helixtrans-101.3-16.1-173.267-179.3000115.4R775 A778 L779 L782 I808 V809 K829 Y832R775-I812 HydrophobicContact CG-CG2 4.03Å; A778-I812 HydrophobicContact CB-CD1 3.61Å; L779-I812 HydrophobicContact CD2-CB 3.99Å; L779-I812 HydrophobicContact CD2-CD1 4.04Å; L779-I812 HydrophobicContact CD2-CG1 4.49Å; L779-I812 HydrophobicContact CD2-CG2 4.17Å; L779-I812 HydrophobicContact CG-CD1 4.13Å; L782-I812 HydrophobicContact CD1-CD1 4.03Å; L782-I812 HydrophobicContact CD1-CG1 4.06Å; I808-I812 HydrophobicContact CG2-CD1 4.41Å; I808-I812 WeakPolarHBondContact O-CG1 3.36Å; I808-I812 PolarHBondContact O-N 3.18Å; I808-I812 VanDerWaalsContact O-N 3.12Å; V809-I812 PolarHBondContact O-N 3.2Å; I812-K829 WeakPolarHBondContact O-CG 3.38Å; I812-K829 PolarHBondContact O-N 3.41Å; I812-Y832 HydrophobicContact CB-CD2 4.2Å; I812-Y832 HydrophobicContact CB-CE2 4.03Å; I812-Y832 HydrophobicContact CG2-CD2 4.47Å; I812-Y832 HydrophobicContact CG2-CE2 4.06Å
813A93.5Very high78.7Confident5 Ų555 Ų554%0.04133%0.326CS..EExtended strand (participates in β ladder)trans-134.2153.1-171.700000113.3L782 V809 Y826 S827L782-A813 HydrophobicContact CD1-CB 3.68Å; V809-A813 HydrophobicContact CG1-CB 4.47Å; V809-A813 WeakPolarHBondContact O-CB 3.18Å; V809-A813 PolarHBondContact O-N 2.63Å; A813-Y826 HydrophobicContact CB-CD1 4.23Å; A813-S827 CarbonylContact C-O 3.46Å; A813-S827 VanDerWaalsContact CA-O 3.23Å; A813-S827 WeakPolarHBondContact CA-O 3.33Å; A813-S827 WeakPolarHBondContact CB-O 3.36Å
814D91.9Very high79.5Confident89 Ų8951.8 Ų51.848%0.47631%0.309SS..EExtended strand (participates in β ladder)trans-98.2128.9171.4-66.5-30.6000110Y826 S827 K829D814-Y826 WeakPolarHBondContact O-CA 3.38Å; D814-S827 PolarHBondContact N-O 3.46Å; D814-S827 PolarHBondContact O-N 2.78Å; D814-K829 VanDerWaalsContact OD1-CE 3.3Å; D814-K829 WeakPolarHBondContact OD1-CE 3.43Å
815F89.9Confident80.4Confident89 Ų8952.2 Ų52.239%0.3931%0.31SS..EExtended strand (participates in β ladder)trans-80.3126.4176.7178.8-113.8000111.6P817 Y826 H1763F815-P817 HydrophobicContact CE1-CB 4.37Å; F815-Y826 HydrophobicContact CB-CD1 4.17Å; F815-Y826 HydrophobicContact CB-CE1 3.89Å; F815-Y826 HydrophobicContact CD2-CD1 4.28Å; F815-Y826 HydrophobicContact CD2-CD2 4.19Å; F815-Y826 AromaticContact CD2-CE1 3.82Å; F815-Y826 HydrophobicContact CD2-CE1 3.82Å; F815-Y826 AromaticContact CD2-CE2 3.65Å; F815-Y826 HydrophobicContact CD2-CE2 3.65Å; F815-Y826 HydrophobicContact CD2-CG 4.47Å; F815-Y826 AromaticContact CD2-CZ 3.49Å; F815-Y826 VanDerWaalsContact CD2-CZ 3.49Å; F815-Y826 HydrophobicContact CE2-CE2 4.04Å; F815-Y826 HydrophobicContact CG-CE1 4.25Å; F815-H1763 WeakPolarHBondContact CE2-O 3.26Å
816K84.1Confident80.8Confident109 Ų10952.8 Ų52.847%0.47431%0.312SS..EExtended strand (participates in β ladder)trans-101.2123.8168-69-179.5-179.8167.90108.9G824 T825 S827K816-G824 VanDerWaalsContact O-CA 3.31Å; K816-G824 WeakPolarHBondContact O-CA 3.37Å; K816-T825 WeakPolarHBondContact CB-O 3.46Å; K816-T825 PolarHBondContact N-O 3.46Å; K816-T825 PolarHBondContact O-N 3.1Å; K816-S827 WeakPolarHBondContact CE-OG 3.28Å; K816-S827 PolarHBondContact NZ-OG 3.18Å
817P77.2Confident81.3Confident84 Ų8451.1 Ų51.155%0.54531%0.306SS..PPolyproline II helixtrans-65.1156.8-178.927.8-34.8000112F815F815-P817 HydrophobicContact CE1-CB 4.37Å
818P69.5Low81.7Confident47 Ų4747.1 Ų47.131%0.30529%0.288SS..PPolyproline II helixtrans-60.6149.917925.9-35.7000112.4A822P818-A822 CarbonylContact C-O 3.52Å; P818-A822 WeakPolarHBondContact CA-O 3.38Å
819T64.2Low81.9Confident93 Ų9349.2 Ų49.257%0.57130%0.298SS*.BIsolated β-bridgetrans-108.6174.8168.863.50000109.7C821 A822T819-C821 PolarHBondContact O-N 2.81Å; T819-C821 VanDerWaalsContact O-N 3.15Å; T819-A822 PolarHBondContact N-O 2.53Å; T819-A822 PolarHBondContact O-N 2.73Å; T819-A822 PolarHBondContact OG1-N 3.46Å; T819-A822 PolarHBondContact OG1-O 2.78Å
820V56.8Low81.8Confident55 Ų5554.8 Ų54.833%0.33332%0.324SS..THydrogen-bonded Turntrans-57.3-32.3-176.4-170.40000113.2T1781 H1785V820-T1781 HydrophobicContact CG2-CG2 3.61Å; V820-H1785 HydrophobicContact CG1-CB 3.54Å
821C58.3Low81.7Confident110 Ų11057.4 Ų57.474%0.74333%0.328SS*.THydrogen-bonded Turntrans-114.3-2.3-175.3-57.30000113.8T819T819-C821 PolarHBondContact O-N 2.81Å; T819-C821 VanDerWaalsContact O-N 3.15Å
822A64.7Low81.7Confident54 Ų5456.8 Ų56.845%0.44632%0.318SS..BIsolated β-bridgetrans-144.5135.7-175.900000111.2P818 T819P818-A822 CarbonylContact C-O 3.52Å; P818-A822 WeakPolarHBondContact CA-O 3.38Å; T819-A822 PolarHBondContact N-O 2.53Å; T819-A822 PolarHBondContact O-N 2.73Å; T819-A822 PolarHBondContact OG1-N 3.46Å; T819-A822 PolarHBondContact OG1-O 2.78Å
823G69.2Low81.5Confident29 Ų2957 Ų5730%0.29932%0.32SS..  trans-66.4174.1178.600000113.7G1764G823-G1764 WeakPolarHBondContact CA-O 3.17Å
824G80.6Confident81.3Confident0 Ų060.8 Ų60.80%034%0.342CS..  trans-62.8143.4175.400000111.6K816 H1763 G1764K816-G824 VanDerWaalsContact O-CA 3.31Å; K816-G824 WeakPolarHBondContact O-CA 3.37Å; G824-H1763 VanDerWaalsContact CA-O 3.28Å; G824-H1763 WeakPolarHBondContact CA-O 3.3Å; G824-H1763 PolarHBondContact N-O 2.91Å; G824-G1764 PolarHBondContact N-O 2.95Å
825T89.3Confident81.2Confident37 Ų3759.2 Ų59.223%0.22733%0.332CS..EExtended strand (participates in β ladder)trans-134.5148.3-176.852.80000111.6A787 T788 K816A787-T825 CarbonylContact O-C 3.52Å; A787-T825 WeakPolarHBondContact O-CA 3.49Å; T788-T825 HydrophobicContact CG2-CG2 4.2Å; K816-T825 WeakPolarHBondContact CB-O 3.46Å; K816-T825 PolarHBondContact N-O 3.46Å; K816-T825 PolarHBondContact O-N 3.1Å
826Y92.1Very high81.4Confident18 Ų1855.4 Ų55.47%0.07132%0.315CS..EExtended strand (participates in β ladder)trans-105.1129177.8-67.7-95.7000109L782 P786 A787 F789 L792 V809 A813 D814 F815 H1763L782-Y826 VanDerWaalsContact CD2-O 3.3Å; L782-Y826 WeakPolarHBondContact CD2-O 3.36Å; P786-Y826 VanDerWaalsContact CA-O 3.26Å; P786-Y826 WeakPolarHBondContact CA-O 3.32Å; A787-Y826 PolarHBondContact N-O 2.88Å; A787-Y826 PolarHBondContact O-N 2.69Å; F789-Y826 HydrophobicContact CB-CD2 4.38Å; F789-Y826 HydrophobicContact CB-CE2 3.7Å; F789-Y826 HydrophobicContact CD2-CE2 4.03Å; F789-Y826 HydrophobicContact CG-CE2 4.36Å; L792-Y826 HydrophobicContact CD1-CD2 4.16Å; L792-Y826 HydrophobicContact CD1-CG 4.1Å; V809-Y826 HydrophobicContact CG1-CD1 3.44Å; V809-Y826 VanDerWaalsContact CG1-CD1 3.44Å; V809-Y826 HydrophobicContact CG1-CE1 3.65Å; V809-Y826 HydrophobicContact CG1-CG 3.9Å; A813-Y826 HydrophobicContact CB-CD1 4.23Å; D814-Y826 WeakPolarHBondContact O-CA 3.38Å; F815-Y826 HydrophobicContact CB-CD1 4.17Å; F815-Y826 HydrophobicContact CB-CE1 3.89Å; F815-Y826 HydrophobicContact CD2-CD1 4.28Å; F815-Y826 HydrophobicContact CD2-CD2 4.19Å; F815-Y826 AromaticContact CD2-CE1 3.82Å; F815-Y826 HydrophobicContact CD2-CE1 3.82Å; F815-Y826 AromaticContact CD2-CE2 3.65Å; F815-Y826 HydrophobicContact CD2-CE2 3.65Å; F815-Y826 HydrophobicContact CD2-CG 4.47Å; F815-Y826 AromaticContact CD2-CZ 3.49Å; F815-Y826 VanDerWaalsContact CD2-CZ 3.49Å; F815-Y826 HydrophobicContact CE2-CE2 4.04Å; F815-Y826 HydrophobicContact CG-CE1 4.25Å; Y826-H1763 PolarHBondContact OH-ND1 3.45Å; Y826-H1763 VanDerWaalsContact OH-ND1 3.08Å
827S91.6Very high81.9Confident19 Ų1950.6 Ų50.613%0.13329%0.294CS..EExtended strand (participates in β ladder)trans-113.6138.7177.6-58.90000110.1A813 D814 K816A813-S827 CarbonylContact C-O 3.46Å; A813-S827 VanDerWaalsContact CA-O 3.23Å; A813-S827 WeakPolarHBondContact CA-O 3.33Å; A813-S827 WeakPolarHBondContact CB-O 3.36Å; D814-S827 PolarHBondContact N-O 3.46Å; D814-S827 PolarHBondContact O-N 2.78Å; K816-S827 WeakPolarHBondContact CE-OG 3.28Å; K816-S827 PolarHBondContact NZ-OG 3.18Å
828L93.3Very high82.5Confident30 Ų3047.3 Ų47.316%0.15727%0.273CS..EExtended strand (participates in β ladder)trans-59.8137.4-179-171.869.7000112.6L779 L782 F783 L833L779-L828 HydrophobicContact CD2-CD1 3.44Å; L779-L828 VanDerWaalsContact CD2-CD1 3.44Å; L782-L828 HydrophobicContact CB-CB 4.08Å; L782-L828 HydrophobicContact CB-CD1 4.03Å; L782-L828 HydrophobicContact CD1-CD1 4.11Å; F783-L828 HydrophobicContact CD1-CD2 3.53Å; F783-L828 HydrophobicContact CE1-CD2 3.27Å; F783-L828 HydrophobicContact CZ-CD2 4.15Å; L828-L833 HydrophobicContact CD2-CD2 4Å
829K92.5Very high83.7Confident46 Ų4645.7 Ų45.720%0.226%0.262CS..  trans-71.7138.1168.5-65.9176.1-174.4169.70111.1S810 S811 I812 D814 E831 Y832S810-K829 PolarHBondContact O-NZ 3.26Å; S810-K829 VanDerWaalsContact O-NZ 3.1Å; S811-K829 PolarHBondContact O-NZ 2.89Å; I812-K829 WeakPolarHBondContact O-CG 3.38Å; I812-K829 PolarHBondContact O-N 3.41Å; D814-K829 VanDerWaalsContact OD1-CE 3.3Å; D814-K829 WeakPolarHBondContact OD1-CE 3.43Å; K829-E831 HydrophobicContact CB-CG 4.15Å; K829-E831 PolarHBondContact O-N 3.13Å; K829-E831 VanDerWaalsContact O-N 3.14Å; K829-Y832 HydrophobicContact CB-CD2 3.91Å; K829-Y832 HydrophobicContact CB-CE2 4.06Å; K829-Y832 HydrophobicContact CD-CE2 4.29Å; K829-Y832 PolarHBondContact O-N 2.93Å; K829-Y832 VanDerWaalsContact O-N 3.16Å
830E86.6Confident85.1Confident118 Ų11842 Ų4255%0.55124%0.237SC*.G310 helixtrans-61-28.6-171.2-63.3-158.8164.700114.3Y832 L833 K862E830-Y832 PolarHBondContact O-N 3.17Å; E830-Y832 VanDerWaalsContact O-N 3.16Å; E830-L833 HydrophobicContact CB-CD1 4.02Å; E830-L833 HydrophobicContact CG-CD1 4.41Å; E830-L833 WeakPolarHBondContact O-CB 3.49Å; E830-L833 VanDerWaalsContact O-CD1 3.29Å; E830-L833 WeakPolarHBondContact O-CD1 3.38Å; E830-L833 WeakPolarHBondContact O-CG 3.15Å; E830-L833 PolarHBondContact O-N 3.43Å; E830-L833 VanDerWaalsContact O-N 3.14Å; E830-K862 IonicContact OE1-NZ 3.73Å; E830-K862 PolarHBondContact OE1-NZ 2.76Å; E830-K862 IonicContact OE2-NZ 3.35Å; E830-K862 PolarHBondContact OE2-NZ 3.21Å
831E87Confident86.7Confident129 Ų12940.9 Ų40.960%0.60323%0.227SC*.G310 helixtrans-58.6-25178.160.2-149.2-138.100114.1K829K829-E831 HydrophobicContact CB-CG 4.15Å; K829-E831 PolarHBondContact O-N 3.13Å; K829-E831 VanDerWaalsContact O-N 3.14Å
832Y90.9Very high88.3Confident31 Ų3136.7 Ų36.712%0.12220%0.196CC..G310 helixtrans-90.4-1.3-179.4-58.8-65.4000114L779 F783 I812 K829 E830 V834 E835L779-Y832 HydrophobicContact CD2-CD1 4.45Å; L779-Y832 HydrophobicContact CD2-CD2 4.37Å; L779-Y832 HydrophobicContact CD2-CG 3.93Å; F783-Y832 WeakPolarHBondContact CZ-O 3.46Å; I812-Y832 HydrophobicContact CB-CD2 4.2Å; I812-Y832 HydrophobicContact CB-CE2 4.03Å; I812-Y832 HydrophobicContact CG2-CD2 4.47Å; I812-Y832 HydrophobicContact CG2-CE2 4.06Å; K829-Y832 HydrophobicContact CB-CD2 3.91Å; K829-Y832 HydrophobicContact CB-CE2 4.06Å; K829-Y832 HydrophobicContact CD-CE2 4.29Å; K829-Y832 PolarHBondContact O-N 2.93Å; K829-Y832 VanDerWaalsContact O-N 3.16Å; E830-Y832 PolarHBondContact O-N 3.17Å; E830-Y832 VanDerWaalsContact O-N 3.16Å; Y832-V834 PolarHBondContact O-N 2.69Å; Y832-V834 VanDerWaalsContact O-N 3.1Å; Y832-E835 WeakPolarHBondContact CD1-OE1 3.46Å; Y832-E835 PolarHBondContact O-N 2.73Å
833L88.6Confident89.6Confident5 Ų535 Ų353%0.02618%0.178CC..G310 helixtrans-59.9-24.2-178.8-69.3166.3000114.1L828 E830 E835 F858 R859 I866L828-L833 HydrophobicContact CD2-CD2 4Å; E830-L833 HydrophobicContact CB-CD1 4.02Å; E830-L833 HydrophobicContact CG-CD1 4.41Å; E830-L833 WeakPolarHBondContact O-CB 3.49Å; E830-L833 VanDerWaalsContact O-CD1 3.29Å; E830-L833 WeakPolarHBondContact O-CD1 3.38Å; E830-L833 WeakPolarHBondContact O-CG 3.15Å; E830-L833 PolarHBondContact O-N 3.43Å; E830-L833 VanDerWaalsContact O-N 3.14Å; L833-E835 VanDerWaalsContact C-N 3.27Å; L833-E835 PolarHBondContact O-N 3.23Å; L833-F858 HydrophobicContact CD1-CE1 3.61Å; L833-F858 HydrophobicContact CD1-CZ 4.44Å; L833-F858 HydrophobicContact CD2-CD1 3.96Å; L833-F858 HydrophobicContact CD2-CE1 3.56Å; L833-F858 HydrophobicContact CG-CE1 4.2Å; L833-R859 PolarHBondContact O-NH1 3.45Å; L833-R859 PolarHBondContact O-NH2 2.8Å; L833-I866 HydrophobicContact CB-CG2 4.46Å
834V88.5Confident90.4Very high85 Ų8536.6 Ų36.652%0.51518%0.181SC..G310 helixtrans-74.6-15.2177.8-62.50000113.2Y832Y832-V834 PolarHBondContact O-N 2.69Å; Y832-V834 VanDerWaalsContact O-N 3.1Å
835E91.6Very high90.5Very high55 Ų5542.2 Ų42.226%0.25721%0.205SC..G310 helixtrans-89.31.2-179.8-63.6-172.2-141.500113.5R775 L779 F783 Y832 L833 N837R775-E835 IonicContact CZ-OE1 2.99Å; R775-E835 IonicContact NH2-OE1 3.33Å; R775-E835 PolarHBondContact NH2-OE1 3.32Å; R775-E835 IonicContact NH2-OE2 2.65Å; L779-E835 WeakPolarHBondContact CD1-OE2 3.48Å; F783-E835 HydrophobicContact CZ-CB 4.39Å; Y832-E835 WeakPolarHBondContact CD1-OE1 3.46Å; Y832-E835 PolarHBondContact O-N 2.73Å; L833-E835 VanDerWaalsContact C-N 3.27Å; L833-E835 PolarHBondContact O-N 3.23Å; E835-N837 PolarHBondContact O-N 3.3Å
836Y92.9Very high90.3Very high9 Ų947.2 Ų47.24%0.03522%0.224CC..  trans-66.7123.5-178.7175.6-119.2000112.1F783 P838 Y843 Q855 R859 C869F783-Y836 HydrophobicContact CB-CD2 3.68Å; F783-Y836 HydrophobicContact CB-CE2 3.95Å; F783-Y836 AromaticContact CD1-CD2 3.94Å; F783-Y836 HydrophobicContact CD1-CD2 3.94Å; F783-Y836 HydrophobicContact CD1-CG 4.28Å; F783-Y836 AromaticContact CD2-CD2 3.61Å; F783-Y836 HydrophobicContact CD2-CD2 3.61Å; F783-Y836 HydrophobicContact CD2-CG 4.39Å; F783-Y836 HydrophobicContact CE1-CD2 4.5Å; F783-Y836 VanDerWaalsContact CE2-CA 3.5Å; F783-Y836 HydrophobicContact CE2-CD2 4.24Å; F783-Y836 AromaticContact CG-CD2 3.49Å; F783-Y836 HydrophobicContact CG-CD2 3.49Å; F783-Y836 VanDerWaalsContact CG-CD2 3.49Å; F783-Y836 HydrophobicContact CG-CE2 4.28Å; F783-Y836 HydrophobicContact CG-CG 4.26Å; Y836-P838 HydrophobicContact CE1-CB 3.93Å; Y836-Y843 HydrophobicContact CE2-CE2 4.36Å; Y836-Q855 HydrophobicContact CD1-CG 4.28Å; Y836-Q855 HydrophobicContact CD2-CG 4.46Å; Y836-Q855 HydrophobicContact CE1-CB 4.35Å; Y836-Q855 HydrophobicContact CE1-CG 3.83Å; Y836-Q855 HydrophobicContact CE2-CG 4.01Å; Y836-R859 VanDerWaalsContact CB-NH2 3.32Å; Y836-C869 HydrophobicContact CD1-CB 4.42Å
837N93.8Very high90.1Very high8 Ų847.9 Ų47.94%0.04323%0.227CC..  trans-105.4112.3169-1763.6000110.4H780 E835 F839 Y840 P872 F921H780-N837 PolarHBondContact NE2-N 3.1Å; E835-N837 PolarHBondContact O-N 3.3Å; N837-F839 PolarHBondContact O-N 3.14Å; N837-F839 WeakPolarHBondContact OD1-CA 3.48Å; N837-F839 PolarHBondContact OD1-N 2.99Å; N837-Y840 WeakPolarHBondContact O-CB 3.47Å; N837-Y840 PolarHBondContact O-N 3.16Å; N837-P872 HydrophobicContact CB-CG 4.12Å; N837-F921 VanDerWaalsContact OD1-CZ 3.28Å; N837-F921 WeakPolarHBondContact OD1-CZ 3.29Å
838P91.4Very high90Very high16 Ų1650 Ų5010%0.10424%0.239CC..THydrogen-bonded Turntrans-65.1-21.4175.126.5-33.4000113Y836 F921 M976Y836-P838 HydrophobicContact CE1-CB 3.93Å; P838-F921 HydrophobicContact CG-CD2 4.47Å; P838-F921 HydrophobicContact CG-CE2 3.94Å; P838-M976 HydrophobicContact CB-CE 4.48Å
839F93.6Very high89.7Confident13 Ų1351.4 Ų51.46%0.05726%0.255CS..THydrogen-bonded Turntrans-102.726.9177.9-53.1-66.9000112.5I754 N837 W841 H917 R918 F921I754-F839 HydrophobicContact CD1-CD2 3.83Å; I754-F839 HydrophobicContact CD1-CE2 4.04Å; I754-F839 HydrophobicContact CD1-CG 4.1Å; I754-F839 HydrophobicContact CD1-CZ 4.47Å; I754-F839 HydrophobicContact CG2-CB 3.96Å; I754-F839 HydrophobicContact CG2-CD2 4.37Å; I754-F839 HydrophobicContact CG2-CG 4.41Å; N837-F839 PolarHBondContact O-N 3.14Å; N837-F839 WeakPolarHBondContact OD1-CA 3.48Å; N837-F839 PolarHBondContact OD1-N 2.99Å; F839-W841 PolarHBondContact O-N 3Å; F839-H917 AromaticContact CE2-NE2 3.85Å; F839-H917 AromaticContact CZ-CD2 3.87Å; F839-H917 AromaticContact CZ-CE1 3.64Å; F839-H917 AromaticContact CZ-CG 3.88Å; F839-H917 AromaticContact CZ-ND1 3.74Å; F839-H917 AromaticContact CZ-NE2 3.72Å; F839-R918 HydrophobicContact CD1-CG 4.43Å; F839-R918 HydrophobicContact CE1-CG 3.63Å; F839-R918 HydrophobicContact CE2-CG 4.47Å; F839-R918 HydrophobicContact CZ-CG 3.66Å; F839-F921 HydrophobicContact CD2-CB 4.33Å; F839-F921 AromaticContact CD2-CD1 3.71Å; F839-F921 HydrophobicContact CD2-CD1 3.71Å; F839-F921 AromaticContact CD2-CD2 3.78Å; F839-F921 HydrophobicContact CD2-CD2 3.78Å; F839-F921 AromaticContact CD2-CE1 3.81Å; F839-F921 HydrophobicContact CD2-CE1 3.81Å; F839-F921 AromaticContact CD2-CE2 3.87Å; F839-F921 HydrophobicContact CD2-CE2 3.87Å; F839-F921 AromaticContact CD2-CG 3.68Å; F839-F921 HydrophobicContact CD2-CG 3.68Å; F839-F921 AromaticContact CD2-CZ 3.87Å; F839-F921 HydrophobicContact CD2-CZ 3.87Å; F839-F921 HydrophobicContact CE2-CB 3.74Å; F839-F921 HydrophobicContact CE2-CD1 4.01Å; F839-F921 AromaticContact CE2-CD2 3.55Å; F839-F921 HydrophobicContact CE2-CD2 3.55Å; F839-F921 HydrophobicContact CE2-CE1 4.47Å; F839-F921 HydrophobicContact CE2-CE2 4.06Å; F839-F921 AromaticContact CE2-CG 3.5Å; F839-F921 HydrophobicContact CE2-CG 3.5Å; F839-F921 VanDerWaalsContact CE2-CG 3.5Å; F839-F921 HydrophobicContact CE2-CZ 4.48Å
840Y94.1Very high89.5Confident16 Ų1653.1 Ų53.16%0.06326%0.264CS..  trans-52.1115.9175.8-178-116.3000110.7R776 S777 H780 N837 H842 Y843R776-Y840 HydrophobicContact CG-CE2 4.4Å; S777-Y840 PolarHBondContact OG-OH 3.45Å; H780-Y840 HydrophobicContact CB-CD1 3.71Å; H780-Y840 HydrophobicContact CB-CD2 4.34Å; H780-Y840 HydrophobicContact CB-CE1 3.6Å; H780-Y840 HydrophobicContact CB-CE2 4.27Å; H780-Y840 HydrophobicContact CB-CG 4.07Å; H780-Y840 WeakPolarHBondContact CD2-CB 3.37Å; H780-Y840 AromaticContact CD2-CD1 3.77Å; H780-Y840 AromaticContact CD2-CD2 3.46Å; H780-Y840 VanDerWaalsContact CD2-CD2 3.46Å; H780-Y840 WeakPolarHBondContact CD2-CD2 3.33Å; H780-Y840 AromaticContact CD2-CG 3.24Å; H780-Y840 AromaticContact CE1-CD2 3.82Å; H780-Y840 AromaticContact CG-CD1 3.79Å; H780-Y840 AromaticContact CG-CD2 3.61Å; H780-Y840 AromaticContact CG-CE1 3.95Å; H780-Y840 AromaticContact CG-CE2 3.8Å; H780-Y840 AromaticContact CG-CG 3.6Å; H780-Y840 AromaticContact CG-CZ 3.97Å; H780-Y840 AromaticContact ND1-CD2 3.82Å; H780-Y840 AromaticContact ND1-CE2 3.82Å; H780-Y840 AromaticContact NE2-CD2 3.61Å; H780-Y840 AromaticContact NE2-CG 3.81Å; N837-Y840 WeakPolarHBondContact O-CB 3.47Å; N837-Y840 PolarHBondContact O-N 3.16Å; Y840-H842 HydrophobicContact CD1-CB 4.07Å; Y840-H842 HydrophobicContact CE1-CB 3.51Å; Y840-H842 PolarHBondContact O-N 3.22Å; Y840-Y843 AromaticContact CD1-CD1 3.64Å; Y840-Y843 HydrophobicContact CD1-CD1 3.64Å; Y840-Y843 HydrophobicContact CD1-CD2 4.28Å; Y840-Y843 AromaticContact CD1-CE1 3.67Å; Y840-Y843 HydrophobicContact CD1-CE1 3.67Å; Y840-Y843 HydrophobicContact CD1-CE2 4.33Å; Y840-Y843 AromaticContact CD1-CG 3.93Å; Y840-Y843 HydrophobicContact CD1-CG 3.93Å; Y840-Y843 HydrophobicContact CE1-CD1 4.4Å; Y840-Y843 HydrophobicContact CE1-CE1 4.37Å; Y840-Y843 HydrophobicContact CG-CE2 4.46Å; Y840-Y843 PolarHBondContact O-N 2.96Å
841W90.5Very high89.7Confident30 Ų3047.5 Ų47.511%0.11424%0.238CC..THydrogen-bonded Turntrans-61.3-19.9-166.471.4-36.4000115.3Y694 D695 I698 I755 E759 F839Y694-W841 HydrophobicContact CD1-CE3 4.3Å; Y694-W841 HydrophobicContact CE1-CB 4.33Å; Y694-W841 HydrophobicContact CE1-CD2 4.21Å; Y694-W841 AromaticContact CE1-CE3 3.7Å; Y694-W841 HydrophobicContact CE1-CE3 3.7Å; Y694-W841 HydrophobicContact CE1-CZ3 4.39Å; D695-W841 HydrophobicContact CB-CH2 3.82Å; D695-W841 HydrophobicContact CB-CZ3 4.26Å; I698-W841 HydrophobicContact CB-CE3 4.45Å; I698-W841 HydrophobicContact CB-CZ3 3.92Å; I698-W841 HydrophobicContact CG1-CE3 4.12Å; I698-W841 HydrophobicContact CG1-CZ3 4.01Å; I698-W841 HydrophobicContact CG2-CE3 4.35Å; I698-W841 HydrophobicContact CG2-CZ3 3.97Å; I755-W841 HydrophobicContact CD1-CB 4.38Å; I755-W841 HydrophobicContact CG1-CB 3.97Å; I755-W841 HydrophobicContact CG2-CB 4.22Å; I755-W841 HydrophobicContact CG2-CE3 4.05Å; E759-W841 HydrophobicContact CB-CD2 4.18Å; E759-W841 HydrophobicContact CB-CE3 4.14Å; E759-W841 HydrophobicContact CB-CZ3 4.38Å; E759-W841 VanDerWaalsContact CD-CD1 3.43Å; E759-W841 HydrophobicContact CG-CB 3.86Å; E759-W841 HydrophobicContact CG-CD2 3.56Å; E759-W841 HydrophobicContact CG-CE3 3.8Å; E759-W841 HydrophobicContact CG-CG 3.6Å; E759-W841 PolarHBondContact OE2-NE1 3.38Å; F839-W841 PolarHBondContact O-N 3Å
842H92.2Very high89.7Confident22 Ų2245.1 Ų45.110%0.10223%0.229CC..THydrogen-bonded Turntrans-95.10.4-179.7-78.5173.7000113.9R690 D695 Y840R690-H842 VanDerWaalsContact CZ-CG 3.43Å; R690-H842 PolarHBondContact NE-CE1 2.78Å; R690-H842 PolarHBondContact NE-ND1 3.33Å; R690-H842 PolarHBondContact NH2-ND1 3.34Å; D695-H842 IonicContact OD1-CD2 3.41Å; D695-H842 IonicContact OD1-CE1 2.86Å; D695-H842 IonicContact OD1-NE2 3.61Å; D695-H842 PolarHBondContact OD1-NE2 3.5Å; D695-H842 IonicContact OD2-CE1 2.9Å; D695-H842 PolarHBondContact OD2-CE1 3.31Å; D695-H842 IonicContact OD2-NE2 3.71Å; D695-H842 PolarHBondContact OD2-NE2 2.92Å; Y840-H842 HydrophobicContact CD1-CB 4.07Å; Y840-H842 HydrophobicContact CE1-CB 3.51Å; Y840-H842 PolarHBondContact O-N 3.22Å
843Y90.6Very high89.5Confident18 Ų1850.8 Ų50.87%0.07125%0.254CS..  trans-72.6131.5171.8-73.1-28.5000111.9H780 Q784 Y836 Y840 Q847 V848 A851H780-Y843 HydrophobicContact CB-CE1 4.06Å; H780-Y843 AromaticContact CD2-CZ 3.95Å; H780-Y843 PolarHBondContact CD2-OH 3.09Å; H780-Y843 WeakPolarHBondContact O-CE1 3.39Å; H780-Y843 PolarHBondContact O-OH 3.38Å; Q784-Y843 HydrophobicContact CG-CE1 4.23Å; Y836-Y843 HydrophobicContact CE2-CE2 4.36Å; Y840-Y843 AromaticContact CD1-CD1 3.64Å; Y840-Y843 HydrophobicContact CD1-CD1 3.64Å; Y840-Y843 HydrophobicContact CD1-CD2 4.28Å; Y840-Y843 AromaticContact CD1-CE1 3.67Å; Y840-Y843 HydrophobicContact CD1-CE1 3.67Å; Y840-Y843 HydrophobicContact CD1-CE2 4.33Å; Y840-Y843 AromaticContact CD1-CG 3.93Å; Y840-Y843 HydrophobicContact CD1-CG 3.93Å; Y840-Y843 HydrophobicContact CE1-CD1 4.4Å; Y840-Y843 HydrophobicContact CE1-CE1 4.37Å; Y840-Y843 HydrophobicContact CG-CE2 4.46Å; Y840-Y843 PolarHBondContact O-N 2.96Å; Y843-Q847 HydrophobicContact CD1-CB 3.88Å; Y843-Q847 HydrophobicContact CG-CB 4.29Å; Y843-V848 HydrophobicContact CD2-CG2 4.24Å; Y843-V848 HydrophobicContact CG-CG2 4.32Å; Y843-A851 HydrophobicContact CE2-CB 4.22Å
844N86.1Confident89.5Confident64 Ų6453.4 Ų53.434%0.34227%0.266SS..  trans-84.5170.7164.170.344.2000111.5K846 Q847 V848N844-K846 PolarHBondContact O-N 3.49Å; N844-K846 VanDerWaalsContact O-N 3.17Å; N844-K846 WeakPolarHBondContact OD1-CA 3.46Å; N844-K846 WeakPolarHBondContact OD1-CB 3.3Å; N844-K846 PolarHBondContact OD1-N 3.28Å; N844-Q847 PolarHBondContact ND2-OE1 3.34Å; N844-Q847 PolarHBondContact O-N 3.12Å; N844-Q847 VanDerWaalsContact O-N 3.13Å; N844-Q847 WeakPolarHBondContact OD1-CG 3.34Å; N844-Q847 PolarHBondContact OD1-N 3.38Å; N844-V848 WeakPolarHBondContact O-CG2 3.44Å; N844-V848 PolarHBondContact O-N 3.44Å
845K82.9Confident89.5Confident118 Ų11849.6 Ų49.651%0.51324%0.242SC..Hα-helixtrans-55-36.5-177.3-69.1174.8-178.6161.40113.3S666 E681 A849S666-K845 WeakPolarHBondContact OG-CE 3.46Å; S666-K845 PolarHBondContact OG-NZ 2.9Å; E681-K845 IonicContact OE1-NZ 3.55Å; E681-K845 IonicContact OE2-NZ 2.78Å; E681-K845 PolarHBondContact OE2-NZ 3.31Å; K845-A849 PolarHBondContact O-N 3.12Å
846K85Confident89.2Confident142 Ų14250.4 Ų50.462%0.61725%0.251SS*.Hα-helixtrans-70.4-46.5177.9-178.1179.3174.9177.60111.4N844 V848 A849 E850N844-K846 PolarHBondContact O-N 3.49Å; N844-K846 VanDerWaalsContact O-N 3.17Å; N844-K846 WeakPolarHBondContact OD1-CA 3.46Å; N844-K846 WeakPolarHBondContact OD1-CB 3.3Å; N844-K846 PolarHBondContact OD1-N 3.28Å; K846-V848 VanDerWaalsContact C-N 3.33Å; K846-V848 PolarHBondContact O-N 2.97Å; K846-A849 PolarHBondContact O-N 3.4Å; K846-A849 VanDerWaalsContact O-N 3.16Å; K846-E850 WeakPolarHBondContact CE-OE1 3.48Å; K846-E850 WeakPolarHBondContact O-CG 3.35Å; K846-E850 PolarHBondContact O-N 3.5Å
847Q89.5Confident88.6Confident31 Ų3154 Ų5415%0.14527%0.271CS..Hα-helixtrans-65.3-36.2179.1-66.1175.3-48.100112.4Y843 N844 A849 E850 A851Y843-Q847 HydrophobicContact CD1-CB 3.88Å; Y843-Q847 HydrophobicContact CG-CB 4.29Å; N844-Q847 PolarHBondContact ND2-OE1 3.34Å; N844-Q847 PolarHBondContact O-N 3.12Å; N844-Q847 VanDerWaalsContact O-N 3.13Å; N844-Q847 WeakPolarHBondContact OD1-CG 3.34Å; N844-Q847 PolarHBondContact OD1-N 3.38Å; Q847-A849 VanDerWaalsContact C-N 3.35Å; Q847-E850 PolarHBondContact O-N 2.85Å; Q847-A851 VanDerWaalsContact O-CB 3.22Å; Q847-A851 WeakPolarHBondContact O-CB 3.1Å; Q847-A851 PolarHBondContact O-N 3.42Å
848V87.9Confident88.2Confident63 Ų6357 Ų5738%0.38228%0.284SS..Hα-helixtrans-59.7-47.5171.9174.80000110.2Y843 N844 K846 A851 D852Y843-V848 HydrophobicContact CD2-CG2 4.24Å; Y843-V848 HydrophobicContact CG-CG2 4.32Å; N844-V848 WeakPolarHBondContact O-CG2 3.44Å; N844-V848 PolarHBondContact O-N 3.44Å; K846-V848 VanDerWaalsContact C-N 3.33Å; K846-V848 PolarHBondContact O-N 2.97Å; V848-A851 PolarHBondContact O-N 2.89Å; V848-D852 WeakPolarHBondContact O-CB 3.21Å; V848-D852 PolarHBondContact O-N 3.4Å
849A87.4Confident87.8Confident60 Ų6056.8 Ų56.850%0.49628%0.281SS..Hα-helixtrans-65.5-39.9179.900000112.8K845 K846 Q847 K853K845-A849 PolarHBondContact O-N 3.12Å; K846-A849 PolarHBondContact O-N 3.4Å; K846-A849 VanDerWaalsContact O-N 3.16Å; Q847-A849 VanDerWaalsContact C-N 3.35Å; A849-K853 WeakPolarHBondContact O-CB 3.44Å; A849-K853 PolarHBondContact O-N 3.28Å
850E88.8Confident87.1Confident83 Ų8362.1 Ų62.139%0.38830%0.304SS..Hα-helixtrans-64.8-47.6175.8-73.5173176.500111.6K846 Q847 F854K846-E850 WeakPolarHBondContact CE-OE1 3.48Å; K846-E850 WeakPolarHBondContact O-CG 3.35Å; K846-E850 PolarHBondContact O-N 3.5Å; Q847-E850 PolarHBondContact O-N 2.85Å; E850-F854 WeakPolarHBondContact O-CB 3.36Å; E850-F854 PolarHBondContact O-N 3.15Å
851A90Very high86.4Confident0 Ų070.4 Ų70.40%034%0.343CS..Hα-helixtrans-62.2-46.1175.600000111.7Q784 Y843 Q847 V848 K853 F854 Q855Q784-A851 HydrophobicContact CG-CB 3.96Å; Y843-A851 HydrophobicContact CE2-CB 4.22Å; Q847-A851 VanDerWaalsContact O-CB 3.22Å; Q847-A851 WeakPolarHBondContact O-CB 3.1Å; Q847-A851 PolarHBondContact O-N 3.42Å; V848-A851 PolarHBondContact O-N 2.89Å; A851-K853 PolarHBondContact O-N 2.62Å; A851-F854 PolarHBondContact O-N 3.43Å; A851-Q855 VanDerWaalsContact O-CB 3.24Å; A851-Q855 WeakPolarHBondContact O-CB 3.42Å; A851-Q855 WeakPolarHBondContact O-CG 3.32Å; A851-Q855 PolarHBondContact O-N 3.06Å
852D87.3Confident85.9Confident79 Ų7971.4 Ų71.442%0.42235%0.348SS..Hα-helixtrans-61.8-44.3-179.1-172.544.9000111.6V848 T856V848-D852 WeakPolarHBondContact O-CB 3.21Å; V848-D852 PolarHBondContact O-N 3.4Å; D852-T856 WeakPolarHBondContact O-CB 3.18Å; D852-T856 PolarHBondContact O-N 2.89Å; D852-T856 PolarHBondContact O-OG1 2.89Å
853K86.9Confident85.2Confident150 Ų15073.7 Ų73.765%0.65237%0.365SS*.Hα-helixtrans-59.9-51.9174.6-175.5-179.8178.4-177.50111.5A849 A851 T856 D857A849-K853 WeakPolarHBondContact O-CB 3.44Å; A849-K853 PolarHBondContact O-N 3.28Å; A851-K853 PolarHBondContact O-N 2.62Å; K853-T856 PolarHBondContact O-N 3Å; K853-D857 PolarHBondContact O-N 3.42Å; K853-D857 VanDerWaalsContact O-N 3.11Å
854F89.4Confident84.2Confident59 Ų5976.7 Ų76.726%0.25939%0.385SS..Hα-helixtrans-63.8-45.2-178-179.4-100.4000112.1F783 Q784 E850 A851 D857 F858F783-F854 WeakPolarHBondContact O-CD1 3.29Å; Q784-F854 WeakPolarHBondContact O-CB 3.06Å; E850-F854 WeakPolarHBondContact O-CB 3.36Å; E850-F854 PolarHBondContact O-N 3.15Å; A851-F854 PolarHBondContact O-N 3.43Å; F854-D857 PolarHBondContact O-N 3.49Å; F854-F858 HydrophobicContact CE1-CB 4.39Å; F854-F858 HydrophobicContact CE1-CG 4.44Å; F854-F858 HydrophobicContact CZ-CD2 4.14Å; F854-F858 HydrophobicContact CZ-CG 4.41Å; F854-F858 WeakPolarHBondContact O-CB 3.14Å; F854-F858 PolarHBondContact O-N 3.11Å
855Q88.1Confident83.4Confident6 Ų678.7 Ų78.73%0.02839%0.392CS..Hα-helixtrans-67.3-38.3-180-66.5-63.4-45.100111.7F783 Y836 A851 F858 R859F783-Q855 PolarHBondContact O-NE2 3.14Å; Y836-Q855 HydrophobicContact CD1-CG 4.28Å; Y836-Q855 HydrophobicContact CD2-CG 4.46Å; Y836-Q855 HydrophobicContact CE1-CB 4.35Å; Y836-Q855 HydrophobicContact CE1-CG 3.83Å; Y836-Q855 HydrophobicContact CE2-CG 4.01Å; A851-Q855 VanDerWaalsContact O-CB 3.24Å; A851-Q855 WeakPolarHBondContact O-CB 3.42Å; A851-Q855 WeakPolarHBondContact O-CG 3.32Å; A851-Q855 PolarHBondContact O-N 3.06Å; Q855-F858 PolarHBondContact O-N 3.13Å; Q855-R859 VanDerWaalsContact O-CB 3.22Å; Q855-R859 WeakPolarHBondContact O-CB 3.44Å; Q855-R859 VanDerWaalsContact O-CG 3.26Å; Q855-R859 WeakPolarHBondContact O-CG 3.21Å; Q855-R859 PolarHBondContact O-N 3.23Å; Q855-R859 VanDerWaalsContact OE1-CZ 3.31Å
856T83.9Confident83Confident71 Ų7174.2 Ų74.244%0.43637%0.374SS..Hα-helixtrans-61-46.2175.3-66.80000111.1D852 K853 K860D852-T856 WeakPolarHBondContact O-CB 3.18Å; D852-T856 PolarHBondContact O-N 2.89Å; D852-T856 PolarHBondContact O-OG1 2.89Å; K853-T856 PolarHBondContact O-N 3Å; T856-K860 WeakPolarHBondContact O-CG 3.31Å
857D82Confident82.7Confident86 Ų8671.3 Ų71.346%0.4636%0.361SS..Hα-helixtrans-68.8-44.2178.9-73.4-26.2000112.2K853 F854 R859 K860K853-D857 PolarHBondContact O-N 3.42Å; K853-D857 VanDerWaalsContact O-N 3.11Å; F854-D857 PolarHBondContact O-N 3.49Å; D857-R859 PolarHBondContact O-N 3.4Å; D857-K860 IonicContact OD1-NZ 2.64Å; D857-K860 PolarHBondContact OD1-NZ 3.25Å
858F83.9Confident82.1Confident70 Ų7069.8 Ų69.831%0.30735%0.354SS..Hα-helixtrans-71.2-29.9-175.7-169.4-94.5000113.5L833 F854 Q855L833-F858 HydrophobicContact CD1-CE1 3.61Å; L833-F858 HydrophobicContact CD1-CZ 4.44Å; L833-F858 HydrophobicContact CD2-CD1 3.96Å; L833-F858 HydrophobicContact CD2-CE1 3.56Å; L833-F858 HydrophobicContact CG-CE1 4.2Å; F854-F858 HydrophobicContact CE1-CB 4.39Å; F854-F858 HydrophobicContact CE1-CG 4.44Å; F854-F858 HydrophobicContact CZ-CD2 4.14Å; F854-F858 HydrophobicContact CZ-CG 4.41Å; F854-F858 WeakPolarHBondContact O-CB 3.14Å; F854-F858 PolarHBondContact O-N 3.11Å; Q855-F858 PolarHBondContact O-N 3.13Å
859R84Confident82Confident12 Ų1267 Ų675%0.04534%0.337CS..Hα-helixtrans-93.4-6-176.7-64.9-179.2-176-111.1-5.3114.9L833 Y836 Q855 D857 E861 K862 I866 C869L833-R859 PolarHBondContact O-NH1 3.45Å; L833-R859 PolarHBondContact O-NH2 2.8Å; Y836-R859 VanDerWaalsContact CB-NH2 3.32Å; Q855-R859 VanDerWaalsContact O-CB 3.22Å; Q855-R859 WeakPolarHBondContact O-CB 3.44Å; Q855-R859 VanDerWaalsContact O-CG 3.26Å; Q855-R859 WeakPolarHBondContact O-CG 3.21Å; Q855-R859 PolarHBondContact O-N 3.23Å; Q855-R859 VanDerWaalsContact OE1-CZ 3.31Å; D857-R859 PolarHBondContact O-N 3.4Å; R859-E861 PolarHBondContact O-N 3.46Å; R859-E861 VanDerWaalsContact O-N 3.13Å; R859-K862 PolarHBondContact O-N 2.73Å; R859-K862 VanDerWaalsContact O-N 3.1Å; R859-I866 HydrophobicContact CG-CG2 4.45Å; R859-I866 PolarHBondContact NH1-O 3.45Å; R859-C869 WeakPolarHBondContact CD-SG 3.15Å; R859-C869 VanDerWaalsContact CZ-SG 3.55Å; R859-C869 PolarHBondContact NE-SG 3.09Å; R859-C869 VanDerWaalsContact NE-SG 3.44Å
860K79Confident82.1Confident124 Ų12465.3 Ų65.354%0.53932%0.321SS..THydrogen-bonded Turntrans-49-41.3-177.9-91.7161.6-173.1170.30113.6T856 D857T856-K860 WeakPolarHBondContact O-CG 3.31Å; D857-K860 IonicContact OD1-NZ 2.64Å; D857-K860 PolarHBondContact OD1-NZ 3.25Å
861E78.2Confident82.2Confident191 Ų19161.6 Ų61.689%0.89330%0.304SS*.THydrogen-bonded Turntrans-1036.4-175.2-59.9-175.1168.200114.2R859R859-E861 PolarHBondContact O-N 3.46Å; R859-E861 VanDerWaalsContact O-N 3.13Å
862K81.5Confident82.3Confident51 Ų5163.3 Ų63.322%0.22232%0.316CS..SBendtrans-89.4157.5-177.5-61.9-66.9-172.9176.90111.7E830 R859 I866E830-K862 IonicContact OE1-NZ 3.73Å; E830-K862 PolarHBondContact OE1-NZ 2.76Å; E830-K862 IonicContact OE2-NZ 3.35Å; E830-K862 PolarHBondContact OE2-NZ 3.21Å; R859-K862 PolarHBondContact O-N 2.73Å; R859-K862 VanDerWaalsContact O-N 3.1Å; K862-I866 HydrophobicContact CB-CB 4.14Å; K862-I866 HydrophobicContact CB-CG2 3.99Å; K862-I866 HydrophobicContact CG-CG2 4.46Å
863P76.6Confident82.4Confident70 Ų7064.8 Ų64.846%0.45533%0.327SS..  trans-54.6156.5177.7-2734.7000114.1H865 I866 K867P863-H865 VanDerWaalsContact C-N 3.32Å; P863-H865 VanDerWaalsContact CB-CE1 3.47Å; P863-H865 WeakPolarHBondContact CB-CE1 3.37Å; P863-H865 PolarHBondContact O-N 3.31Å; P863-I866 PolarHBondContact O-N 2.8Å; P863-K867 PolarHBondContact O-N 3.41Å
864T69.8Low82.6Confident80 Ų8058.9 Ų58.949%0.49131%0.307SS..Hα-helixtrans-54.4-40.3-175.3460000114.4I866 K867 A868T864-I866 VanDerWaalsContact C-N 3.25Å; T864-I866 PolarHBondContact O-N 3.01Å; T864-K867 PolarHBondContact O-N 3.37Å; T864-A868 WeakPolarHBondContact O-CB 3.41Å; T864-A868 PolarHBondContact O-N 3.26Å
865H69.7Low82.7Confident106 Ų10657.2 Ų57.249%0.49130%0.301SS..Hα-helixtrans-66.1-24.6178.566.5-85.6000113.5P863P863-H865 VanDerWaalsContact C-N 3.32Å; P863-H865 VanDerWaalsContact CB-CE1 3.47Å; P863-H865 WeakPolarHBondContact CB-CE1 3.37Å; P863-H865 PolarHBondContact O-N 3.31Å
866I74.8Confident82.8Confident25 Ų2563 Ų6313%0.12833%0.329CS..Hα-helixtrans-87.1-41172.1-57-174.4000109.8L833 R859 K862 P863 T864 A868 C869L833-I866 HydrophobicContact CB-CG2 4.46Å; R859-I866 HydrophobicContact CG-CG2 4.45Å; R859-I866 PolarHBondContact NH1-O 3.45Å; K862-I866 HydrophobicContact CB-CB 4.14Å; K862-I866 HydrophobicContact CB-CG2 3.99Å; K862-I866 HydrophobicContact CG-CG2 4.46Å; P863-I866 PolarHBondContact O-N 2.8Å; T864-I866 VanDerWaalsContact C-N 3.25Å; T864-I866 PolarHBondContact O-N 3.01Å; I866-A868 PolarHBondContact O-N 3.49Å; I866-C869 PolarHBondContact O-N 3.41Å
867K77.3Confident83.1Confident80 Ų8060 Ų6035%0.34831%0.31SS..Hα-helixtrans-61.4-30.3-180-170.3174.3-178.1167.90113.5P863 T864 C869P863-K867 PolarHBondContact O-N 3.41Å; T864-K867 PolarHBondContact O-N 3.37Å; K867-C869 VanDerWaalsContact C-N 3.31Å; K867-C869 PolarHBondContact O-N 3.29Å
868A77.8Confident83.3Confident0 Ų057.1 Ų57.10%030%0.295CS..THydrogen-bonded Turntrans-71.1-19.3-178.700000114.8T864 I866 P870 S979 W983T864-A868 WeakPolarHBondContact O-CB 3.41Å; T864-A868 PolarHBondContact O-N 3.26Å; I866-A868 PolarHBondContact O-N 3.49Å; A868-P870 VanDerWaalsContact C-N 3.35Å; A868-S979 WeakPolarHBondContact CB-O 3.36Å; A868-W983 HydrophobicContact CB-CB 3.98Å
869C85.5Confident83.3Confident4 Ų460.9 Ų60.93%0.02731%0.313CS..  trans43.954.8-171.9-63.10000112.9Y836 R859 I866 K867 M976Y836-C869 HydrophobicContact CD1-CB 4.42Å; R859-C869 WeakPolarHBondContact CD-SG 3.15Å; R859-C869 VanDerWaalsContact CZ-SG 3.55Å; R859-C869 PolarHBondContact NE-SG 3.09Å; R859-C869 VanDerWaalsContact NE-SG 3.44Å; I866-C869 PolarHBondContact O-N 3.41Å; K867-C869 VanDerWaalsContact C-N 3.31Å; K867-C869 PolarHBondContact O-N 3.29Å; C869-M976 HydrophobicContact CB-CE 3.55Å
870P89.4Confident83.1Confident24 Ų2462.2 Ų62.216%0.15632%0.321CS..PPolyproline II helixtrans-63.4159.7179.931.3-36.4000111.3A868 L980 W983A868-P870 VanDerWaalsContact C-N 3.35Å; P870-L980 HydrophobicContact CB-CD1 4.38Å; P870-W983 HydrophobicContact CB-CD2 3.46Å; P870-W983 VanDerWaalsContact CB-CD2 3.46Å; P870-W983 HydrophobicContact CB-CE3 3.75Å; P870-W983 HydrophobicContact CB-CG 4.01Å; P870-W983 HydrophobicContact CB-CH2 3.94Å; P870-W983 HydrophobicContact CB-CZ2 3.63Å; P870-W983 HydrophobicContact CB-CZ3 3.99Å; P870-W983 HydrophobicContact CG-CD2 4.32Å; P870-W983 HydrophobicContact CG-CZ2 4.35Å
871P92.1Very high83.6Confident5 Ų556.3 Ų56.33%0.03230%0.295CS..PPolyproline II helixtrans-55.8127.5173.921.2-30.7000110.4F921 M925 N928 W983P871-F921 VanDerWaalsContact CA-CZ 3.46Å; P871-F921 HydrophobicContact CB-CD1 4.06Å; P871-F921 HydrophobicContact CB-CD2 4.03Å; P871-F921 HydrophobicContact CB-CE1 3.71Å; P871-F921 HydrophobicContact CB-CE2 3.7Å; P871-F921 HydrophobicContact CB-CG 4.22Å; P871-F921 HydrophobicContact CB-CZ 3.54Å; P871-F921 HydrophobicContact CG-CD2 4.39Å; P871-F921 HydrophobicContact CG-CE2 4.46Å; P871-M925 HydrophobicContact CB-CG 3.69Å; P871-M925 HydrophobicContact CG-CG 4.25Å; P871-N928 PolarHBondContact O-ND2 3.15Å; P871-W983 HydrophobicContact CG-CH2 4.27Å; P871-W983 HydrophobicContact CG-CZ3 4.24Å
872P91.7Very high84.1Confident37 Ų3749 Ų4924%0.2426%0.262CS..PPolyproline II helixtrans-66.8154.2175.927.8-33.3000110.3N837 A874N837-P872 HydrophobicContact CB-CG 4.12Å; P872-A874 PolarHBondContact O-N 3.47Å; P872-A874 VanDerWaalsContact O-N 3.12Å
873V89.6Confident84.5Confident110 Ų11047.7 Ų47.767%0.66726%0.259SS*.  trans-67.1112.8175.1-178.80000108.5
874A89.9Confident85.3Confident26 Ų2644.4 Ų44.422%0.21524%0.238CC..PPolyproline II helixtrans-74.4152.2176.800000110.6P872P872-A874 PolarHBondContact O-N 3.47Å; P872-A874 VanDerWaalsContact O-N 3.12Å
875P92.1Very high86.4Confident23 Ų2340.8 Ų40.815%0.14922%0.216CC..PPolyproline II helixtrans-62.1158.8174.625.6-31.7000110.5R760 W761 V768 F877R760-P875 HydrophobicContact CB-CG 3.84Å; R760-P875 WeakPolarHBondContact CD-O 3.48Å; R760-P875 PolarHBondContact NH1-O 2.97Å; W761-P875 HydrophobicContact CD2-CG 4.06Å; W761-P875 VanDerWaalsContact CE2-CD 3.45Å; W761-P875 HydrophobicContact CG-CG 4.44Å; W761-P875 HydrophobicContact CZ2-CG 4.17Å; V768-P875 HydrophobicContact CG1-CB 3.77Å; V768-P875 HydrophobicContact CG1-CG 3.62Å; P875-F877 PolarHBondContact O-N 3.18Å
876Q89.9Confident87.5Confident129 Ų12941 Ų4160%0.60321%0.212SC*.PPolyproline II helixtrans-65.2138.5176-71.6-178.6-9.900110.2G766 N767G766-Q876 CarbonylContact C-O 3.56Å; G766-Q876 VanDerWaalsContact CA-O 3.29Å; G766-Q876 WeakPolarHBondContact CA-O 3.06Å; N767-Q876 PolarHBondContact N-O 2.69Å
877F89.8Confident88.5Confident8 Ų840 Ų404%0.03521%0.206CC..BIsolated β-bridgetrans-60148.7166.8-82.6-69.7000109.8R760 V765 P875 F881 L882 V884 L885R760-F877 HydrophobicContact CB-CE1 4.41Å; R760-F877 HydrophobicContact CG-CD1 4.01Å; R760-F877 HydrophobicContact CG-CD2 4.33Å; R760-F877 HydrophobicContact CG-CE1 3.62Å; R760-F877 HydrophobicContact CG-CE2 3.95Å; R760-F877 HydrophobicContact CG-CG 4.37Å; R760-F877 HydrophobicContact CG-CZ 3.58Å; V765-F877 HydrophobicContact CG1-CD1 3.93Å; V765-F877 HydrophobicContact CG1-CE1 3.73Å; V765-F877 WeakPolarHBondContact O-CA 3.45Å; V765-F877 WeakPolarHBondContact O-CD1 3.48Å; P875-F877 PolarHBondContact O-N 3.18Å; F877-F881 HydrophobicContact CB-CB 4.29Å; F877-F881 HydrophobicContact CD1-CB 3.43Å; F877-F881 VanDerWaalsContact CD1-CB 3.43Å; F877-F881 HydrophobicContact CD1-CG 4.48Å; F877-F881 HydrophobicContact CE1-CB 4Å; F877-F881 HydrophobicContact CG-CB 4.13Å; F877-L882 HydrophobicContact CB-CD1 4.5Å; F877-V884 HydrophobicContact CE2-CB 4.44Å; F877-V884 HydrophobicContact CZ-CB 4.24Å; F877-V884 HydrophobicContact CZ-CG1 4.22Å; F877-L885 HydrophobicContact CD2-CD1 4.26Å; F877-L885 HydrophobicContact CD2-CD2 3.81Å; F877-L885 HydrophobicContact CD2-CG 3.81Å; F877-L885 HydrophobicContact CE2-CD2 3.64Å; F877-L885 HydrophobicContact CE2-CG 4.02Å
878T87.6Confident89.4Confident25 Ų2536.2 Ų36.215%0.15319%0.19CC..PPolyproline II helixtrans-65.1161.1163.364.50000109.3G764 V765 L880 F881 L882G764-T878 WeakPolarHBondContact O-CB 3.32Å; G764-T878 VanDerWaalsContact O-CG2 3.25Å; G764-T878 WeakPolarHBondContact O-CG2 3.38Å; G764-T878 PolarHBondContact O-OG1 3.32Å; V765-T878 PolarHBondContact O-N 3.38Å; V765-T878 PolarHBondContact O-OG1 3.44Å; T878-L880 PolarHBondContact O-N 3.01Å; T878-F881 PolarHBondContact O-N 3.41Å; T878-L882 PolarHBondContact O-N 2.74Å
879Q82.3Confident90.1Very high148 Ų14837.2 Ų37.269%0.69220%0.197SC*.THydrogen-bonded Turntrans-53.9-33179.9-68.1-61.8-28.200113.1F881Q879-F881 PolarHBondContact O-N 3.44Å
880L81.2Confident90.5Very high40 Ų4037.4 Ų37.421%0.20920%0.198CC..THydrogen-bonded Turntrans-66.2-35.8-180-17162000112.9Y625 L630 T706 T878Y625-L880 HydrophobicContact CD1-CD2 4.1Å; Y625-L880 HydrophobicContact CE1-CD1 4.44Å; Y625-L880 HydrophobicContact CE1-CD2 3.44Å; Y625-L880 VanDerWaalsContact CE1-CD2 3.44Å; Y625-L880 HydrophobicContact CE1-CG 3.99Å; L630-L880 HydrophobicContact CB-CD1 4.15Å; T706-L880 WeakPolarHBondContact CG2-O 3.38Å; T878-L880 PolarHBondContact O-N 3.01Å
881F89.1Confident90.8Very high0 Ų037.6 Ų37.60%020%0.198CC..THydrogen-bonded Turntrans-102.7-4.5-176.1-73-90.5000113.8Y625 L626 L699 Q702 I703 T706 G764 V765 F877 T878 Q879 P883 V884Y625-F881 HydrophobicContact CD1-CZ 4.13Å; Y625-F881 HydrophobicContact CE1-CE2 4.39Å; Y625-F881 HydrophobicContact CE1-CZ 4.09Å; L626-F881 HydrophobicContact CD2-CE2 3.96Å; L626-F881 HydrophobicContact CD2-CZ 4.11Å; L699-F881 HydrophobicContact CD1-CE1 4.02Å; L699-F881 HydrophobicContact CD1-CZ 3.69Å; Q702-F881 HydrophobicContact CB-CD1 3.99Å; Q702-F881 HydrophobicContact CB-CE1 3.82Å; I703-F881 HydrophobicContact CG1-CE1 3.85Å; I703-F881 HydrophobicContact CG1-CZ 3.83Å; T706-F881 HydrophobicContact CG2-CD1 4.08Å; G764-F881 WeakPolarHBondContact O-CD2 3.47Å; V765-F881 HydrophobicContact CB-CD2 4.36Å; V765-F881 HydrophobicContact CB-CE2 4.46Å; V765-F881 HydrophobicContact CG1-CB 4.43Å; V765-F881 HydrophobicContact CG1-CD1 4.22Å; V765-F881 HydrophobicContact CG1-CD2 4.38Å; V765-F881 HydrophobicContact CG1-CG 4.09Å; V765-F881 HydrophobicContact CG2-CD2 4.38Å; V765-F881 HydrophobicContact CG2-CE1 4.37Å; V765-F881 HydrophobicContact CG2-CE2 4Å; V765-F881 HydrophobicContact CG2-CZ 4Å; F877-F881 HydrophobicContact CB-CB 4.29Å; F877-F881 HydrophobicContact CD1-CB 3.43Å; F877-F881 VanDerWaalsContact CD1-CB 3.43Å; F877-F881 HydrophobicContact CD1-CG 4.48Å; F877-F881 HydrophobicContact CE1-CB 4Å; F877-F881 HydrophobicContact CG-CB 4.13Å; T878-F881 PolarHBondContact O-N 3.41Å; Q879-F881 PolarHBondContact O-N 3.44Å; F881-P883 VanDerWaalsContact C-N 3.27Å; F881-V884 HydrophobicContact CD1-CG2 4.32Å; F881-V884 VanDerWaalsContact O-CB 3.32Å; F881-V884 WeakPolarHBondContact O-CB 3.47Å; F881-V884 VanDerWaalsContact O-CG2 3.26Å; F881-V884 WeakPolarHBondContact O-CG2 3.5Å; F881-V884 PolarHBondContact O-N 2.57Å
882L88.9Confident90.9Very high38 Ų3837.4 Ų37.420%0.19920%0.197CC..G310 helixtrans-50.4-38.7176.3-167.468.5000113.7F877 T878 V884 L885F877-L882 HydrophobicContact CB-CD1 4.5Å; T878-L882 PolarHBondContact O-N 2.74Å; L882-V884 PolarHBondContact O-N 3.21Å; L882-V884 VanDerWaalsContact O-N 3.09Å; L882-L885 HydrophobicContact CD1-CD1 3.8Å; L882-L885 WeakPolarHBondContact O-CB 3.2Å; L882-L885 PolarHBondContact O-N 3.29Å; L882-L885 VanDerWaalsContact O-N 3.16Å
883P89.8Confident91.1Very high23 Ų2335.7 Ų35.715%0.14919%0.185CC..G310 helixtrans-59.2-20.3176.9-2837.7000115.8F881 L885 R886F881-P883 VanDerWaalsContact C-N 3.27Å; P883-L885 PolarHBondContact O-N 3.34Å; P883-R886 VanDerWaalsContact O-CB 3.24Å; P883-R886 WeakPolarHBondContact O-CB 3.35Å; P883-R886 WeakPolarHBondContact O-CD 3.35Å; P883-R886 WeakPolarHBondContact O-CG 3.28Å; P883-R886 PolarHBondContact O-N 3Å; P883-R886 VanDerWaalsContact O-N 3.08Å
884V92.8Very high91.4Very high1 Ų130.4 Ų30.41%0.00615%0.154CC..G310 helixtrans-59.2-31.9177179.60000111.1A705 T706 V756 L757 F877 F881 L882 R886 I887A705-V884 HydrophobicContact CB-CG1 4.32Å; A705-V884 HydrophobicContact CB-CG2 4.07Å; T706-V884 HydrophobicContact CG2-CG2 3.63Å; V756-V884 HydrophobicContact CG1-CG1 4.14Å; L757-V884 HydrophobicContact CD2-CG1 4.23Å; F877-V884 HydrophobicContact CE2-CB 4.44Å; F877-V884 HydrophobicContact CZ-CB 4.24Å; F877-V884 HydrophobicContact CZ-CG1 4.22Å; F881-V884 HydrophobicContact CD1-CG2 4.32Å; F881-V884 VanDerWaalsContact O-CB 3.32Å; F881-V884 WeakPolarHBondContact O-CB 3.47Å; F881-V884 VanDerWaalsContact O-CG2 3.26Å; F881-V884 WeakPolarHBondContact O-CG2 3.5Å; F881-V884 PolarHBondContact O-N 2.57Å; L882-V884 PolarHBondContact O-N 3.21Å; L882-V884 VanDerWaalsContact O-N 3.09Å; V884-R886 PolarHBondContact O-N 2.85Å; V884-R886 VanDerWaalsContact O-N 3.11Å; V884-I887 HydrophobicContact CG1-CD1 4.12Å; V884-I887 WeakPolarHBondContact O-CB 3.37Å; V884-I887 WeakPolarHBondContact O-CG1 3.15Å; V884-I887 PolarHBondContact O-N 3.12Å
885L93.6Very high91.7Very high5 Ų531 Ų313%0.02615%0.15CC..G310 helixtrans-61.2-20.7178.1-66179.4000113.7R760 F877 L882 P883 I887 L888 E929 V944R760-L885 VanDerWaalsContact NH2-CD2 3.29Å; F877-L885 HydrophobicContact CD2-CD1 4.26Å; F877-L885 HydrophobicContact CD2-CD2 3.81Å; F877-L885 HydrophobicContact CD2-CG 3.81Å; F877-L885 HydrophobicContact CE2-CD2 3.64Å; F877-L885 HydrophobicContact CE2-CG 4.02Å; L882-L885 HydrophobicContact CD1-CD1 3.8Å; L882-L885 WeakPolarHBondContact O-CB 3.2Å; L882-L885 PolarHBondContact O-N 3.29Å; L882-L885 VanDerWaalsContact O-N 3.16Å; P883-L885 PolarHBondContact O-N 3.34Å; L885-I887 PolarHBondContact O-N 3.12Å; L885-I887 VanDerWaalsContact O-N 3.1Å; L885-L888 HydrophobicContact CD2-CD1 4.22Å; L885-L888 WeakPolarHBondContact O-CB 3.32Å; L885-L888 PolarHBondContact O-N 3.27Å; L885-E929 HydrophobicContact CD1-CG 3.92Å; L885-E929 HydrophobicContact CD2-CG 4.19Å; L885-V944 HydrophobicContact CB-CG2 3.72Å; L885-V944 HydrophobicContact CD1-CG2 4.06Å; L885-V944 HydrophobicContact CG-CG2 4.4Å
886R93.4Very high91.9Very high111 Ų11129.9 Ų29.942%0.41914%0.143SC..G310 helixtrans-58.8-24.4177.5-63.1171.7-173.9174.90.6112.2T710 P883 V884 L888 C889 C890 E942T710-R886 HydrophobicContact CG2-CB 4.04Å; P883-R886 VanDerWaalsContact O-CB 3.24Å; P883-R886 WeakPolarHBondContact O-CB 3.35Å; P883-R886 WeakPolarHBondContact O-CD 3.35Å; P883-R886 WeakPolarHBondContact O-CG 3.28Å; P883-R886 PolarHBondContact O-N 3Å; P883-R886 VanDerWaalsContact O-N 3.08Å; V884-R886 PolarHBondContact O-N 2.85Å; V884-R886 VanDerWaalsContact O-N 3.11Å; R886-L888 PolarHBondContact O-N 2.77Å; R886-C889 PolarHBondContact O-N 2.88Å; R886-C890 PolarHBondContact O-N 2.88Å; R886-E942 IonicContact CZ-OE1 3.86Å; R886-E942 IonicContact CZ-OE2 3.82Å; R886-E942 IonicContact NE-OE2 3.79Å; R886-E942 IonicContact NH2-OE1 3.3Å; R886-E942 PolarHBondContact NH2-OE1 3.19Å; R886-E942 IonicContact NH2-OE2 2.91Å; R886-E942 PolarHBondContact NH2-OE2 3.26Å
887I95.4Very high92.2Very high2 Ų223.7 Ų23.71%0.0112%0.115CC..G310 helixtrans-55.2-38.7175.8-66169.6000111.1A705 T710 F713 V714 V756 L757 V884 L885 C889 C890 F893A705-I887 HydrophobicContact CB-CD1 4.16Å; T710-I887 VanDerWaalsContact CG2-CA 3.43Å; T710-I887 HydrophobicContact CG2-CB 4.2Å; T710-I887 HydrophobicContact CG2-CG1 3.73Å; F713-I887 HydrophobicContact CD1-CD1 3.81Å; F713-I887 HydrophobicContact CD1-CG1 4.32Å; F713-I887 HydrophobicContact CE1-CD1 3.67Å; V714-I887 HydrophobicContact CG2-CG1 4.41Å; V714-I887 HydrophobicContact CG2-CG2 3.92Å; V756-I887 HydrophobicContact CG1-CD1 4.37Å; L757-I887 HydrophobicContact CD1-CG2 4.22Å; L757-I887 HydrophobicContact CD2-CB 4.23Å; V884-I887 HydrophobicContact CG1-CD1 4.12Å; V884-I887 WeakPolarHBondContact O-CB 3.37Å; V884-I887 WeakPolarHBondContact O-CG1 3.15Å; V884-I887 PolarHBondContact O-N 3.12Å; L885-I887 PolarHBondContact O-N 3.12Å; L885-I887 VanDerWaalsContact O-N 3.1Å; I887-C889 PolarHBondContact O-N 3.32Å; I887-C889 VanDerWaalsContact O-N 3.11Å; I887-C890 PolarHBondContact O-N 3.17Å; I887-C890 PolarHBondContact O-SG 3.33Å; I887-C890 VanDerWaalsContact O-SG 3.41Å; I887-F893 VanDerWaalsContact O-CB 3.25Å; I887-F893 WeakPolarHBondContact O-CB 3.27Å; I887-F893 VanDerWaalsContact O-CD1 3.31Å; I887-F893 WeakPolarHBondContact O-CD1 3.46Å; I887-F893 WeakPolarHBondContact O-CG 3.35Å
888L94.9Very high92.4Very high2 Ų223.3 Ų23.31%0.0111%0.113CC..G310 helixtrans-62.4-22-178.7-64.1169.4000112.7L757 L885 R886 F893 A926 V944 F946L757-L888 HydrophobicContact CD1-CD2 3.63Å; L757-L888 HydrophobicContact CD1-CG 4.22Å; L757-L888 HydrophobicContact CD2-CD1 4.42Å; L757-L888 HydrophobicContact CD2-CD2 4.32Å; L757-L888 HydrophobicContact CD2-CG 4.03Å; L885-L888 HydrophobicContact CD2-CD1 4.22Å; L885-L888 WeakPolarHBondContact O-CB 3.32Å; L885-L888 PolarHBondContact O-N 3.27Å; R886-L888 PolarHBondContact O-N 2.77Å; L888-F893 HydrophobicContact CD2-CE1 4.32Å; L888-F893 HydrophobicContact CD2-CZ 4.42Å; L888-F893 WeakPolarHBondContact O-CD1 3.34Å; L888-A926 HydrophobicContact CB-CB 4.32Å; L888-A926 HydrophobicContact CD1-CB 4.21Å; L888-A926 HydrophobicContact CD2-CB 4.01Å; L888-A926 HydrophobicContact CG-CB 4.41Å; L888-V944 HydrophobicContact CB-CG1 4.38Å; L888-V944 HydrophobicContact CD1-CG1 4.27Å; L888-F946 VanDerWaalsContact O-CD2 3.29Å; L888-F946 WeakPolarHBondContact O-CD2 3.46Å
889C93.7Very high92.8Very high20 Ų2022.2 Ų22.214%0.13511%0.106CC..G310 helixtrans-116.41.8-173.9-62.80000114.3R886 I887 R949R886-C889 PolarHBondContact O-N 2.88Å; I887-C889 PolarHBondContact O-N 3.32Å; I887-C889 VanDerWaalsContact O-N 3.11Å; C889-R949 HydrophobicContact CB-CG 4.31Å; C889-R949 PolarHBondContact O-NE 3.19Å; C889-R949 PolarHBondContact O-NH2 2.96Å
890C94.2Very high93.3Very high8 Ų815.2 Ų15.25%0.0547%0.073CC..  trans-76.7154-177.778.50000112.2T710 D711 R886 I887 S892 F893 L894T710-C890 HydrophobicContact CG2-CB 3.68Å; D711-C890 WeakPolarHBondContact OD1-CB 3.25Å; R886-C890 PolarHBondContact O-N 2.88Å; I887-C890 PolarHBondContact O-N 3.17Å; I887-C890 PolarHBondContact O-SG 3.33Å; I887-C890 VanDerWaalsContact O-SG 3.41Å; C890-S892 VanDerWaalsContact C-N 3.32Å; C890-S892 PolarHBondContact O-N 2.65Å; C890-F893 PolarHBondContact O-N 2.83Å; C890-F893 WeakPolarHBondContact SG-CB 3.34Å; C890-F893 PolarHBondContact SG-N 2.97Å; C890-L894 WeakPolarHBondContact O-CG 3.45Å; C890-L894 PolarHBondContact O-N 2.97Å; C890-L894 VanDerWaalsContact O-N 3.13Å
891D94.7Very high94Very high29 Ų2913.3 Ų13.316%0.1556%0.063CC..Hα-helixtrans-65.6-39.5-172.7-64.7-35.6000110.8K597 D711 F893 L894 Y895 R949 V953K597-D891 WeakPolarHBondContact CE-OD2 3.22Å; K597-D891 IonicContact NZ-OD2 2.83Å; K597-D891 PolarHBondContact NZ-OD2 2.84Å; D711-D891 PolarHBondContact OD1-N 3.41Å; D891-F893 PolarHBondContact O-N 3.27Å; D891-L894 PolarHBondContact O-N 3.16Å; D891-Y895 VanDerWaalsContact O-CB 3.26Å; D891-Y895 WeakPolarHBondContact O-CB 3.3Å; D891-Y895 PolarHBondContact O-N 3.41Å; D891-R949 IonicContact OD1-CZ 3.89Å; D891-R949 IonicContact OD1-NH1 3Å; D891-R949 IonicContact OD1-NH2 3.91Å; D891-R949 PolarHBondContact OD1-NH2 3.36Å; D891-V953 HydrophobicContact CB-CG1 4.3Å
892S95.2Very high94.2Very high1 Ų113.3 Ų13.31%0.0076%0.063CC..Hα-helixtrans-63-42.1178.9-57.40000112.7F594 D711 I715 C890 L896F594-S892 WeakPolarHBondContact CE1-O 3.37Å; D711-S892 PolarHBondContact OD1-N 2.86Å; D711-S892 VanDerWaalsContact OD1-N 3.13Å; D711-S892 PolarHBondContact OD1-OG 2.93Å; I715-S892 VanDerWaalsContact CD1-OG 3.31Å; I715-S892 WeakPolarHBondContact CD1-OG 3.15Å; I715-S892 WeakPolarHBondContact CG1-OG 3.33Å; C890-S892 VanDerWaalsContact C-N 3.32Å; C890-S892 PolarHBondContact O-N 2.65Å; S892-L896 WeakPolarHBondContact O-CB 3.46Å; S892-L896 PolarHBondContact O-N 3.24Å
893F96Very high94.4Very high0 Ų012 Ų120%06%0.056CC..Hα-helixtrans-69.4-40.3178.5173.2-106.8000112.2L753 I887 L888 C890 D891 L896 L897 L922 F946L753-F893 HydrophobicContact CD1-CD2 4.13Å; L753-F893 HydrophobicContact CD1-CE2 4.19Å; I887-F893 VanDerWaalsContact O-CB 3.25Å; I887-F893 WeakPolarHBondContact O-CB 3.27Å; I887-F893 VanDerWaalsContact O-CD1 3.31Å; I887-F893 WeakPolarHBondContact O-CD1 3.46Å; I887-F893 WeakPolarHBondContact O-CG 3.35Å; L888-F893 HydrophobicContact CD2-CE1 4.32Å; L888-F893 HydrophobicContact CD2-CZ 4.42Å; L888-F893 WeakPolarHBondContact O-CD1 3.34Å; C890-F893 PolarHBondContact O-N 2.83Å; C890-F893 WeakPolarHBondContact SG-CB 3.34Å; C890-F893 PolarHBondContact SG-N 2.97Å; D891-F893 PolarHBondContact O-N 3.27Å; F893-L896 HydrophobicContact CD2-CD2 4.2Å; F893-L896 WeakPolarHBondContact O-CB 3.48Å; F893-L896 PolarHBondContact O-N 3.06Å; F893-L897 HydrophobicContact CD1-CD1 4.2Å; F893-L897 HydrophobicContact CE1-CD1 3.5Å; F893-L897 HydrophobicContact CE1-CG 4.19Å; F893-L897 HydrophobicContact CE2-CD1 4.35Å; F893-L897 HydrophobicContact CE2-CD2 4.41Å; F893-L897 HydrophobicContact CE2-CG 4.24Å; F893-L897 HydrophobicContact CZ-CD1 3.58Å; F893-L897 HydrophobicContact CZ-CD2 4.24Å; F893-L897 HydrophobicContact CZ-CG 3.96Å; F893-L897 PolarHBondContact O-N 2.6Å; F893-L922 HydrophobicContact CE2-CD1 4.18Å; F893-L922 HydrophobicContact CZ-CB 4.14Å; F893-F946 HydrophobicContact CE1-CE2 4.4Å
894L96Very high94.5Very high0 Ų011.7 Ų11.70%06%0.055CC..Hα-helixtrans-69.8-35.9177.5-66174.3000111.9C890 D891 L897 A898 F946 R949 A950 V953 C954C890-L894 WeakPolarHBondContact O-CG 3.45Å; C890-L894 PolarHBondContact O-N 2.97Å; C890-L894 VanDerWaalsContact O-N 3.13Å; D891-L894 PolarHBondContact O-N 3.16Å; L894-L897 PolarHBondContact O-N 2.94Å; L894-A898 WeakPolarHBondContact O-CB 3.26Å; L894-A898 PolarHBondContact O-N 3.44Å; L894-F946 HydrophobicContact CD2-CD2 4.26Å; L894-F946 HydrophobicContact CD2-CE2 3.77Å; L894-R949 HydrophobicContact CD1-CB 3.86Å; L894-A950 HydrophobicContact CD2-CB 4.12Å; L894-V953 HydrophobicContact CB-CB 4.2Å; L894-V953 HydrophobicContact CB-CG1 4.03Å; L894-V953 HydrophobicContact CD1-CB 3.95Å; L894-V953 HydrophobicContact CD1-CG1 4.43Å; L894-V953 HydrophobicContact CD1-CG2 4.48Å; L894-C954 HydrophobicContact CB-CB 4.19Å; L894-C954 HydrophobicContact CD2-CB 4.32Å
895Y95.5Very high94.4Very high37 Ų3712.7 Ų12.715%0.1456%0.061CC..Hα-helixtrans-61.8-45.1171.1-179.6-96.5000111.4F594 H729 D891 L897 A898 T899F594-Y895 HydrophobicContact CD1-CD1 4.05Å; F594-Y895 HydrophobicContact CD2-CE1 4.29Å; F594-Y895 AromaticContact CE1-CD1 3.57Å; F594-Y895 HydrophobicContact CE1-CD1 3.57Å; F594-Y895 HydrophobicContact CE1-CE1 4.23Å; F594-Y895 HydrophobicContact CE2-CD1 4.08Å; F594-Y895 AromaticContact CE2-CE1 3.92Å; F594-Y895 HydrophobicContact CE2-CE1 3.92Å; F594-Y895 AromaticContact CZ-CD1 3.58Å; F594-Y895 HydrophobicContact CZ-CD1 3.58Å; F594-Y895 AromaticContact CZ-CE1 3.9Å; F594-Y895 HydrophobicContact CZ-CE1 3.9Å; H729-Y895 HydrophobicContact CB-CE2 4.4Å; H729-Y895 AromaticContact CD2-CE2 3.45Å; H729-Y895 VanDerWaalsContact CD2-CE2 3.45Å; H729-Y895 WeakPolarHBondContact CD2-CE2 3.35Å; H729-Y895 AromaticContact CD2-CZ 3.48Å; H729-Y895 VanDerWaalsContact CD2-CZ 3.48Å; H729-Y895 AromaticContact CE1-CD2 3.77Å; H729-Y895 AromaticContact CE1-CE2 3.5Å; H729-Y895 AromaticContact CG-CE2 3.57Å; H729-Y895 AromaticContact CG-CZ 3.73Å; H729-Y895 PolarHBondContact N-OH 3.42Å; H729-Y895 AromaticContact ND1-CE2 3.6Å; H729-Y895 AromaticContact NE2-CD2 3.63Å; H729-Y895 AromaticContact NE2-CE2 3.44Å; H729-Y895 WeakPolarHBondContact NE2-CE2 3.46Å; H729-Y895 AromaticContact NE2-CZ 3.92Å; D891-Y895 VanDerWaalsContact O-CB 3.26Å; D891-Y895 WeakPolarHBondContact O-CB 3.3Å; D891-Y895 PolarHBondContact O-N 3.41Å; Y895-L897 PolarHBondContact O-N 2.67Å; Y895-A898 WeakPolarHBondContact O-CB 3.19Å; Y895-A898 PolarHBondContact O-N 3.02Å; Y895-T899 PolarHBondContact O-N 3.12Å; Y895-T899 PolarHBondContact O-OG1 3.08Å; Y895-T899 VanDerWaalsContact O-OG1 3.1Å
896L95.4Very high94.1Very high0 Ų016.8 Ų16.80%08%0.08CC..Hα-helixtrans-55.1-48.9173.1164.371.5000112.8F594 L727 F749 L750 L753 S892 F893 A898 T899 I900F594-L896 HydrophobicContact CE1-CB 4.45Å; F594-L896 HydrophobicContact CZ-CB 4.43Å; L727-L896 HydrophobicContact CB-CD1 4.49Å; L727-L896 HydrophobicContact CD1-CD1 3.6Å; L727-L896 HydrophobicContact CD2-CD1 4.1Å; L727-L896 HydrophobicContact CG-CD1 4.28Å; F749-L896 HydrophobicContact CE1-CD1 4.25Å; F749-L896 HydrophobicContact CE1-CD2 3.57Å; F749-L896 HydrophobicContact CZ-CD2 4.22Å; L750-L896 HydrophobicContact CD2-CD2 4.04Å; L753-L896 HydrophobicContact CD1-CD2 4.15Å; S892-L896 WeakPolarHBondContact O-CB 3.46Å; S892-L896 PolarHBondContact O-N 3.24Å; F893-L896 HydrophobicContact CD2-CD2 4.2Å; F893-L896 WeakPolarHBondContact O-CB 3.48Å; F893-L896 PolarHBondContact O-N 3.06Å; L896-A898 VanDerWaalsContact C-N 3.33Å; L896-T899 WeakPolarHBondContact O-CB 3.06Å; L896-T899 PolarHBondContact O-N 2.93Å; L896-I900 HydrophobicContact CD1-CD1 3.89Å; L896-I900 HydrophobicContact CG-CD1 4.19Å; L896-I900 PolarHBondContact O-N 2.93Å; L896-I900 VanDerWaalsContact O-N 3.15Å
897L95.9Very high93.6Very high0 Ų013.6 Ų13.60%07%0.071CC..Hα-helixtrans-63.1-41.1178.2-72.1-178.1000111.5F893 L894 Y895 T899 I900 F901 A919 V923 F946F893-L897 HydrophobicContact CD1-CD1 4.2Å; F893-L897 HydrophobicContact CE1-CD1 3.5Å; F893-L897 HydrophobicContact CE1-CG 4.19Å; F893-L897 HydrophobicContact CE2-CD1 4.35Å; F893-L897 HydrophobicContact CE2-CD2 4.41Å; F893-L897 HydrophobicContact CE2-CG 4.24Å; F893-L897 HydrophobicContact CZ-CD1 3.58Å; F893-L897 HydrophobicContact CZ-CD2 4.24Å; F893-L897 HydrophobicContact CZ-CG 3.96Å; F893-L897 PolarHBondContact O-N 2.6Å; L894-L897 PolarHBondContact O-N 2.94Å; Y895-L897 PolarHBondContact O-N 2.67Å; L897-T899 VanDerWaalsContact C-N 3.31Å; L897-T899 PolarHBondContact O-N 2.97Å; L897-I900 PolarHBondContact O-N 2.81Å; L897-F901 HydrophobicContact CB-CD2 4.18Å; L897-F901 HydrophobicContact CB-CE2 4.11Å; L897-F901 HydrophobicContact CD2-CE2 4.04Å; L897-F901 HydrophobicContact CG-CE2 4.49Å; L897-F901 WeakPolarHBondContact O-CD2 3.29Å; L897-F901 PolarHBondContact O-N 3.28Å; L897-A919 HydrophobicContact CD2-CB 4.05Å; L897-V923 HydrophobicContact CD1-CG2 3.89Å; L897-F946 HydrophobicContact CD1-CE2 4.33Å; L897-F946 HydrophobicContact CD1-CZ 4.48Å
898A95.3Very high93.2Very high0 Ų014.1 Ų14.10%08%0.075CC..Hα-helixtrans-59.2-42175.300000111.5L894 Y895 L896 G902L894-A898 WeakPolarHBondContact O-CB 3.26Å; L894-A898 PolarHBondContact O-N 3.44Å; Y895-A898 WeakPolarHBondContact O-CB 3.19Å; Y895-A898 PolarHBondContact O-N 3.02Å; L896-A898 VanDerWaalsContact C-N 3.33Å; A898-G902 WeakPolarHBondContact O-CA 3.2Å; A898-G902 PolarHBondContact O-N 2.96Å
899T94.8Very high92.6Very high1 Ų121.8 Ų21.81%0.00611%0.111CC..Hα-helixtrans-58-51.1174.5-52.90000112L727 H729 Y895 L896 L897 R903 W956L727-T899 WeakPolarHBondContact O-CG2 3.33Å; L727-T899 PolarHBondContact O-OG1 3.35Å; H729-T899 PolarHBondContact CD2-OG1 3.22Å; H729-T899 PolarHBondContact NE2-OG1 3.44Å; Y895-T899 PolarHBondContact O-N 3.12Å; Y895-T899 PolarHBondContact O-OG1 3.08Å; Y895-T899 VanDerWaalsContact O-OG1 3.1Å; L896-T899 WeakPolarHBondContact O-CB 3.06Å; L896-T899 PolarHBondContact O-N 2.93Å; L897-T899 VanDerWaalsContact C-N 3.31Å; L897-T899 PolarHBondContact O-N 2.97Å; T899-R903 WeakPolarHBondContact O-CB 3.44Å; T899-R903 VanDerWaalsContact O-CG 3.3Å; T899-R903 WeakPolarHBondContact O-CG 3.48Å; T899-R903 PolarHBondContact O-N 3.39Å; T899-W956 HydrophobicContact CG2-CZ3 4.07Å
900I94.7Very high92.3Very high2 Ų221.1 Ų21.11%0.0111%0.106CC..Hα-helixtrans-66.8-50.7-175.1-65.9162.9000110.8L750 L896 L897 R903 A904 V911 A919L750-I900 HydrophobicContact CD1-CD1 3.77Å; L750-I900 HydrophobicContact CD2-CD1 3.89Å; L750-I900 HydrophobicContact CG-CD1 4.35Å; L896-I900 HydrophobicContact CD1-CD1 3.89Å; L896-I900 HydrophobicContact CG-CD1 4.19Å; L896-I900 PolarHBondContact O-N 2.93Å; L896-I900 VanDerWaalsContact O-N 3.15Å; L897-I900 PolarHBondContact O-N 2.81Å; I900-R903 PolarHBondContact O-N 3.15Å; I900-A904 WeakPolarHBondContact O-CB 3.35Å; I900-A904 PolarHBondContact O-N 3.2Å; I900-V911 HydrophobicContact CG2-CG1 4.06Å; I900-V911 HydrophobicContact CG2-CG2 4.45Å; I900-A919 HydrophobicContact CD1-CB 4.5Å; I900-A919 HydrophobicContact CG2-CB 4.09Å
901F95.2Very high92.1Very high0 Ų021.8 Ų21.80%011%0.11CC..Hα-helixtrans-67.8-38.7-179.5-66.5-54.1000111.7L897 A904 T905 L916 A919 L920 V923 L961 L964 L965 I968L897-F901 HydrophobicContact CB-CD2 4.18Å; L897-F901 HydrophobicContact CB-CE2 4.11Å; L897-F901 HydrophobicContact CD2-CE2 4.04Å; L897-F901 HydrophobicContact CG-CE2 4.49Å; L897-F901 WeakPolarHBondContact O-CD2 3.29Å; L897-F901 PolarHBondContact O-N 3.28Å; F901-A904 WeakPolarHBondContact O-CB 3.37Å; F901-A904 PolarHBondContact O-N 3.02Å; F901-T905 WeakPolarHBondContact O-CG2 3.16Å; F901-T905 PolarHBondContact O-N 3.1Å; F901-L916 HydrophobicContact CD1-CD1 3.59Å; F901-L916 HydrophobicContact CE1-CD1 3.54Å; F901-A919 HydrophobicContact CE1-CB 4.07Å; F901-A919 HydrophobicContact CE2-CB 4.45Å; F901-A919 HydrophobicContact CZ-CB 3.8Å; F901-L920 HydrophobicContact CE1-CD2 3.89Å; F901-L920 HydrophobicContact CE1-CG 4.08Å; F901-L920 HydrophobicContact CZ-CD2 4.14Å; F901-L920 HydrophobicContact CZ-CG 4.46Å; F901-V923 HydrophobicContact CE2-CG2 3.84Å; F901-V923 HydrophobicContact CZ-CG2 3.93Å; F901-L961 HydrophobicContact CD2-CD1 3.6Å; F901-L961 HydrophobicContact CE2-CD1 3.67Å; F901-L964 HydrophobicContact CB-CB 4.12Å; F901-L964 HydrophobicContact CB-CD1 4.23Å; F901-L965 HydrophobicContact CD1-CD2 3.85Å; F901-L965 HydrophobicContact CE1-CD2 3.68Å; F901-L965 HydrophobicContact CE2-CD2 4.37Å; F901-L965 HydrophobicContact CG-CD2 4.29Å; F901-L965 HydrophobicContact CZ-CD2 3.96Å; F901-I968 HydrophobicContact CD1-CD1 3.93Å
902G93.1Very high91.9Very high0 Ų022 Ų220%011%0.113CC..Hα-helixtrans-55.5-53.8173.700000112.6A898 A904 T905 E906A898-G902 WeakPolarHBondContact O-CA 3.2Å; A898-G902 PolarHBondContact O-N 2.96Å; G902-A904 VanDerWaalsContact C-N 3.3Å; G902-A904 PolarHBondContact O-N 3.47Å; G902-T905 PolarHBondContact O-N 3.15Å; G902-T905 VanDerWaalsContact O-N 3.12Å; G902-T905 PolarHBondContact O-OG1 3.39Å; G902-E906 PolarHBondContact O-N 2.93Å; G902-E906 VanDerWaalsContact O-N 3.15Å
903R92.5Very high91.7Very high10 Ų1025.3 Ų25.34%0.03813%0.128CC..Hα-helixtrans-59.7-37.6174.8-75.8-179.3-173.1176.96.5112.9F726 S728 T899 I900 E906 N907 S908 V911 W956F726-R903 PolarHBondContact O-NH1 3.46Å; F726-R903 PolarHBondContact O-NH2 3.39Å; S728-R903 PolarHBondContact O-NH2 3.36Å; T899-R903 WeakPolarHBondContact O-CB 3.44Å; T899-R903 VanDerWaalsContact O-CG 3.3Å; T899-R903 WeakPolarHBondContact O-CG 3.48Å; T899-R903 PolarHBondContact O-N 3.39Å; I900-R903 PolarHBondContact O-N 3.15Å; R903-E906 CarbonylContact O-C 3.58Å; R903-E906 PolarHBondContact O-N 3.02Å; R903-N907 PolarHBondContact O-N 3.47Å; R903-N907 VanDerWaalsContact O-N 3.14Å; R903-S908 WeakPolarHBondContact O-CB 3.12Å; R903-S908 PolarHBondContact O-N 3.29Å; R903-V911 HydrophobicContact CB-CB 4.38Å; R903-V911 HydrophobicContact CB-CG2 3.42Å; R903-V911 VanDerWaalsContact CB-CG2 3.42Å; R903-V911 HydrophobicContact CG-CG2 4.35Å; R903-W956 HydrophobicContact CG-CH2 3.95Å; R903-W956 HydrophobicContact CG-CZ2 4.27Å
904A91.6Very high91.5Very high16 Ų1628.2 Ų28.213%0.13215%0.146CC..Hα-helixtrans-64.1-38.7174.600000112.6I900 F901 G902 E906 N907 V911 L916 I968I900-A904 WeakPolarHBondContact O-CB 3.35Å; I900-A904 PolarHBondContact O-N 3.2Å; F901-A904 WeakPolarHBondContact O-CB 3.37Å; F901-A904 PolarHBondContact O-N 3.02Å; G902-A904 VanDerWaalsContact C-N 3.3Å; G902-A904 PolarHBondContact O-N 3.47Å; A904-E906 VanDerWaalsContact C-N 3.29Å; A904-E906 PolarHBondContact O-N 3Å; A904-N907 PolarHBondContact O-N 3.37Å; A904-V911 HydrophobicContact CB-CG1 4.28Å; A904-L916 HydrophobicContact CB-CD1 4.31Å; A904-I968 HydrophobicContact CB-CG1 4.4Å
905T90.7Very high91.4Very high22 Ų2228.3 Ų28.314%0.13515%0.146CC..Hα-helixtrans-65.4-32.8174.166.10000112.5F901 G902 N907 L964 R967 I968F901-T905 WeakPolarHBondContact O-CG2 3.16Å; F901-T905 PolarHBondContact O-N 3.1Å; G902-T905 PolarHBondContact O-N 3.15Å; G902-T905 VanDerWaalsContact O-N 3.12Å; G902-T905 PolarHBondContact O-OG1 3.39Å; T905-N907 VanDerWaalsContact C-N 3.31Å; T905-N907 PolarHBondContact O-N 3.05Å; T905-L964 HydrophobicContact CG2-CB 4.48Å; T905-L964 HydrophobicContact CG2-CD2 3.92Å; T905-L964 VanDerWaalsContact CG2-O 3.28Å; T905-L964 WeakPolarHBondContact CG2-O 3.32Å; T905-R967 HydrophobicContact CG2-CB 3.81Å; T905-I968 HydrophobicContact CG2-CG1 4.13Å
906E88.3Confident91.3Very high92 Ų9226.8 Ų26.843%0.4314%0.14SC..Hα-helixtrans-82.3-4.3178.1-66.4-179.4-175.600113.5G902 R903 A904 S908 W956 K957G902-E906 PolarHBondContact O-N 2.93Å; G902-E906 VanDerWaalsContact O-N 3.15Å; R903-E906 CarbonylContact O-C 3.58Å; R903-E906 PolarHBondContact O-N 3.02Å; A904-E906 VanDerWaalsContact C-N 3.29Å; A904-E906 PolarHBondContact O-N 3Å; E906-S908 PolarHBondContact O-N 3.22Å; E906-W956 PolarHBondContact OE1-NE1 3.24Å; E906-K957 WeakPolarHBondContact OE1-CE 2.91Å; E906-K957 IonicContact OE1-NZ 3.71Å; E906-K957 PolarHBondContact OE1-NZ 3.03Å; E906-K957 IonicContact OE2-NZ 3.53Å
907N83.6Confident91.2Very high43 Ų4327.8 Ų27.823%0.2315%0.145CC..THydrogen-bonded Turntrans55.536.4-171-60-97.2000113.2R903 A904 T905 R969 K972R903-N907 PolarHBondContact O-N 3.47Å; R903-N907 VanDerWaalsContact O-N 3.14Å; A904-N907 PolarHBondContact O-N 3.37Å; T905-N907 VanDerWaalsContact C-N 3.31Å; T905-N907 PolarHBondContact O-N 3.05Å; N907-R969 WeakPolarHBondContact ND2-CD 3.27Å; N907-R969 PolarHBondContact ND2-NE 3.42Å; N907-K972 PolarHBondContact OD1-NZ 3.3Å
908S86.5Confident91.2Very high13 Ų1329 Ų299%0.09115%0.15CC..  trans-57.1138.4170.7172.10000110.3E733 R903 E906 L910E733-S908 VanDerWaalsContact OE1-CB 3.25Å; E733-S908 WeakPolarHBondContact OE1-CB 3.37Å; E733-S908 PolarHBondContact OE1-OG 3.26Å; R903-S908 WeakPolarHBondContact O-CB 3.12Å; R903-S908 PolarHBondContact O-N 3.29Å; E906-S908 PolarHBondContact O-N 3.22Å; S908-L910 PolarHBondContact O-N 2.98Å; S908-L910 VanDerWaalsContact OG-CB 3.32Å; S908-L910 WeakPolarHBondContact OG-CB 3.31Å; S908-L910 WeakPolarHBondContact OG-CG 3.36Å; S908-L910 PolarHBondContact OG-N 2.92Å; S908-L910 VanDerWaalsContact OG-N 3.1Å
909Q82.5Confident91.3Very high163 Ų16329 Ų2976%0.76215%0.15SC*.THydrogen-bonded Turntrans-73.3-10.6173.6-64.8-68.9-16.200112.2V911Q909-V911 VanDerWaalsContact C-N 3.27Å; Q909-V911 PolarHBondContact O-N 2.94Å
910L87.3Confident91.4Very high6 Ų629 Ų293%0.03115%0.149CC..THydrogen-bonded Turntrans-74.2-18.3178.8-56.2-175.4000113.2F726 Y731 E733 E739 S908 Q915F726-L910 HydrophobicContact CE2-CB 4.36Å; F726-L910 HydrophobicContact CE2-CD1 4.29Å; F726-L910 HydrophobicContact CE2-CD2 4.05Å; F726-L910 HydrophobicContact CE2-CG 4.48Å; F726-L910 HydrophobicContact CZ-CB 4.08Å; Y731-L910 HydrophobicContact CD1-CD1 3.7Å; Y731-L910 HydrophobicContact CE1-CD1 3.93Å; E733-L910 HydrophobicContact CG-CD1 3.53Å; E733-L910 HydrophobicContact CG-CD2 4.07Å; E733-L910 HydrophobicContact CG-CG 3.68Å; E739-L910 HydrophobicContact CB-CD2 3.89Å; E739-L910 HydrophobicContact CG-CD2 3.96Å; S908-L910 PolarHBondContact O-N 2.98Å; S908-L910 VanDerWaalsContact OG-CB 3.32Å; S908-L910 WeakPolarHBondContact OG-CB 3.31Å; S908-L910 WeakPolarHBondContact OG-CG 3.36Å; S908-L910 PolarHBondContact OG-N 2.92Å; S908-L910 VanDerWaalsContact OG-N 3.1Å; L910-Q915 PolarHBondContact O-NE2 2.99Å
911V90Very high91.4Very high23 Ų2329 Ų2914%0.13915%0.149CC..SBendtrans-106.6116.6178.6176.10000110.4I900 R903 A904 Q909 Q915I900-V911 HydrophobicContact CG2-CG1 4.06Å; I900-V911 HydrophobicContact CG2-CG2 4.45Å; R903-V911 HydrophobicContact CB-CB 4.38Å; R903-V911 HydrophobicContact CB-CG2 3.42Å; R903-V911 VanDerWaalsContact CB-CG2 3.42Å; R903-V911 HydrophobicContact CG-CG2 4.35Å; A904-V911 HydrophobicContact CB-CG1 4.28Å; Q909-V911 VanDerWaalsContact C-N 3.27Å; Q909-V911 PolarHBondContact O-N 2.94Å; V911-Q915 HydrophobicContact CG1-CB 4.4Å
912T90.7Very high91.5Very high34 Ų3429 Ų2921%0.20915%0.149CC..  trans-85.4156.4174.463.70000110.5A743 E747 T914 Q915 L916A743-T912 HydrophobicContact CB-CG2 4.23Å; E747-T912 WeakPolarHBondContact OE1-CB 3.45Å; E747-T912 PolarHBondContact OE1-OG1 3.27Å; T912-T914 WeakPolarHBondContact CB-OG1 3.43Å; T912-T914 PolarHBondContact O-N 3.21Å; T912-T914 PolarHBondContact OG1-OG1 3.37Å; T912-Q915 WeakPolarHBondContact O-CB 3.44Å; T912-Q915 PolarHBondContact O-N 2.69Å; T912-Q915 VanDerWaalsContact OG1-CG 3.29Å; T912-Q915 WeakPolarHBondContact OG1-CG 3.34Å; T912-Q915 PolarHBondContact OG1-N 2.93Å; T912-L916 PolarHBondContact O-N 3.14Å; T912-L916 VanDerWaalsContact O-N 3.12Å
913E90.1Very high91.7Very high70 Ų7029 Ų2933%0.32715%0.149SC..Hα-helixtrans-59.9-33.2174.8178.9171.8-17500112.2L916 H917 L973 S974 V977E913-L916 WeakPolarHBondContact O-CB 3.34Å; E913-L916 PolarHBondContact O-N 3.49Å; E913-H917 PolarHBondContact O-N 3.39Å; E913-L973 HydrophobicContact CG-CD2 4.35Å; E913-S974 WeakPolarHBondContact OE1-CA 3.39Å; E913-S974 WeakPolarHBondContact OE1-CB 3.3Å; E913-S974 PolarHBondContact OE1-N 2.89Å; E913-S974 PolarHBondContact OE1-OG 3.02Å; E913-V977 HydrophobicContact CG-CB 4.35Å; E913-V977 HydrophobicContact CG-CG1 4.47Å; E913-V977 HydrophobicContact CG-CG2 3.84Å; E913-V977 WeakPolarHBondContact OE1-CB 3.4Å; E913-V977 VanDerWaalsContact OE1-CG2 3.3Å; E913-V977 WeakPolarHBondContact OE1-CG2 3.46Å
914T91.2Very high91.8Very high61 Ų6128.5 Ų28.537%0.37415%0.148SC..Hα-helixtrans-67.8-33.6176.8320000113.2E747 T912 R918E747-T914 PolarHBondContact OE1-OG1 3.42Å; E747-T914 WeakPolarHBondContact OE2-CB 3.13Å; E747-T914 PolarHBondContact OE2-OG1 3.37Å; T912-T914 WeakPolarHBondContact CB-OG1 3.43Å; T912-T914 PolarHBondContact O-N 3.21Å; T912-T914 PolarHBondContact OG1-OG1 3.37Å; T914-R918 PolarHBondContact O-N 3.4Å; T914-R918 PolarHBondContact O-NH1 3.34Å
915Q94.2Very high92Very high2 Ų228.5 Ų28.51%0.00915%0.145CC..Hα-helixtrans-66.5-46.2167.9-72.4171.811.800110.6A743 T746 E747 L750 L910 V911 T912 H917 R918 A919A743-Q915 VanDerWaalsContact C-NE2 3.3Å; A743-Q915 PolarHBondContact O-NE2 3.16Å; T746-Q915 HydrophobicContact CG2-CG 4.32Å; E747-Q915 HydrophobicContact CB-CG 4.45Å; E747-Q915 HydrophobicContact CG-CB 4.34Å; E747-Q915 HydrophobicContact CG-CG 3.38Å; L750-Q915 HydrophobicContact CD1-CB 4.23Å; L750-Q915 HydrophobicContact CD1-CG 4.49Å; L910-Q915 PolarHBondContact O-NE2 2.99Å; V911-Q915 HydrophobicContact CG1-CB 4.4Å; T912-Q915 WeakPolarHBondContact O-CB 3.44Å; T912-Q915 PolarHBondContact O-N 2.69Å; T912-Q915 VanDerWaalsContact OG1-CG 3.29Å; T912-Q915 WeakPolarHBondContact OG1-CG 3.34Å; T912-Q915 PolarHBondContact OG1-N 2.93Å; Q915-H917 VanDerWaalsContact C-N 3.3Å; Q915-H917 PolarHBondContact O-N 3.13Å; Q915-R918 PolarHBondContact O-N 2.9Å; Q915-R918 VanDerWaalsContact O-N 3.14Å; Q915-A919 WeakPolarHBondContact O-CB 3.44Å; Q915-A919 PolarHBondContact O-N 3.26Å
916L93.5Very high92.2Very high5 Ų527.5 Ų27.53%0.02614%0.139CC..Hα-helixtrans-60.2-41.1-179.5-176.265.8000111.5F901 A904 T912 E913 R918 A919 L920 I968 L973 V977F901-L916 HydrophobicContact CD1-CD1 3.59Å; F901-L916 HydrophobicContact CE1-CD1 3.54Å; A904-L916 HydrophobicContact CB-CD1 4.31Å; T912-L916 PolarHBondContact O-N 3.14Å; T912-L916 VanDerWaalsContact O-N 3.12Å; E913-L916 WeakPolarHBondContact O-CB 3.34Å; E913-L916 PolarHBondContact O-N 3.49Å; L916-R918 PolarHBondContact O-N 3.02Å; L916-A919 PolarHBondContact O-N 3.31Å; L916-L920 HydrophobicContact CD1-CD1 4.47Å; L916-L920 HydrophobicContact CD1-CG 4.4Å; L916-L920 HydrophobicContact CG-CD1 4.09Å; L916-L920 HydrophobicContact CG-CG 4.45Å; L916-L920 WeakPolarHBondContact O-CB 3.45Å; L916-L920 VanDerWaalsContact O-CG 3.3Å; L916-L920 WeakPolarHBondContact O-CG 3.43Å; L916-L920 PolarHBondContact O-N 3.03Å; L916-I968 HydrophobicContact CD1-CD1 3.96Å; L916-I968 HydrophobicContact CD2-CG2 4.17Å; L916-L973 HydrophobicContact CD2-CD1 4.22Å; L916-L973 HydrophobicContact CD2-CD2 3.61Å; L916-V977 HydrophobicContact CD2-CG1 4.1Å; L916-V977 HydrophobicContact CG-CG1 4.31Å
917H93.8Very high92.5Very high21 Ų2123.1 Ų23.110%0.09712%0.118CC..Hα-helixtrans-56.1-48.9174.1-175.4-172.2000111.6F839 E913 Q915 L920 F921 V977F839-H917 AromaticContact CE2-NE2 3.85Å; F839-H917 AromaticContact CZ-CD2 3.87Å; F839-H917 AromaticContact CZ-CE1 3.64Å; F839-H917 AromaticContact CZ-CG 3.88Å; F839-H917 AromaticContact CZ-ND1 3.74Å; F839-H917 AromaticContact CZ-NE2 3.72Å; E913-H917 PolarHBondContact O-N 3.39Å; Q915-H917 VanDerWaalsContact C-N 3.3Å; Q915-H917 PolarHBondContact O-N 3.13Å; H917-L920 PolarHBondContact O-N 3.36Å; H917-F921 WeakPolarHBondContact O-CB 3.42Å; H917-F921 PolarHBondContact O-N 3.04Å; H917-V977 HydrophobicContact CB-CG2 3.91Å
918R96.2Very high92.9Very high25 Ų2522 Ų229%0.09411%0.112CC..Hα-helixtrans-68.4-39.8-179.8-70.2170.5175.678.8-4.6112.7E747 L750 Q751 I754 F839 T914 Q915 L916 F921 L922E747-R918 WeakPolarHBondContact O-CD 3.42Å; E747-R918 PolarHBondContact O-NE 3.23Å; E747-R918 IonicContact OE2-NH1 3.79Å; L750-R918 HydrophobicContact CB-CB 3.83Å; L750-R918 HydrophobicContact CD1-CB 4.2Å; Q751-R918 VanDerWaalsContact OE1-NH2 3.14Å; I754-R918 HydrophobicContact CD1-CB 3.84Å; I754-R918 HydrophobicContact CD1-CG 3.92Å; F839-R918 HydrophobicContact CD1-CG 4.43Å; F839-R918 HydrophobicContact CE1-CG 3.63Å; F839-R918 HydrophobicContact CE2-CG 4.47Å; F839-R918 HydrophobicContact CZ-CG 3.66Å; T914-R918 PolarHBondContact O-N 3.4Å; T914-R918 PolarHBondContact O-NH1 3.34Å; Q915-R918 PolarHBondContact O-N 2.9Å; Q915-R918 VanDerWaalsContact O-N 3.14Å; L916-R918 PolarHBondContact O-N 3.02Å; R918-F921 PolarHBondContact O-N 3.32Å; R918-L922 WeakPolarHBondContact O-CG 3.45Å; R918-L922 PolarHBondContact O-N 3.32Å
919A96.6Very high93.2Very high0 Ų022.5 Ų22.50%011%0.113CC..Hα-helixtrans-62.4-45.4175.300000111.3L897 I900 F901 Q915 L916 F921 L922 V923L897-A919 HydrophobicContact CD2-CB 4.05Å; I900-A919 HydrophobicContact CD1-CB 4.5Å; I900-A919 HydrophobicContact CG2-CB 4.09Å; F901-A919 HydrophobicContact CE1-CB 4.07Å; F901-A919 HydrophobicContact CE2-CB 4.45Å; F901-A919 HydrophobicContact CZ-CB 3.8Å; Q915-A919 WeakPolarHBondContact O-CB 3.44Å; Q915-A919 PolarHBondContact O-N 3.26Å; L916-A919 PolarHBondContact O-N 3.31Å; A919-F921 VanDerWaalsContact C-N 3.32Å; A919-F921 PolarHBondContact O-N 2.9Å; A919-L922 PolarHBondContact O-N 3.41Å; A919-V923 WeakPolarHBondContact O-CG2 3.45Å; A919-V923 PolarHBondContact O-N 3.33Å
920L95.9Very high93.6Very high0 Ų015 Ų150%08%0.078CC..Hα-helixtrans-61.7-39.2174.1-76.7173.3000112.4F901 L916 H917 V923 G924 L965 V977 L980 L981 T984F901-L920 HydrophobicContact CE1-CD2 3.89Å; F901-L920 HydrophobicContact CE1-CG 4.08Å; F901-L920 HydrophobicContact CZ-CD2 4.14Å; F901-L920 HydrophobicContact CZ-CG 4.46Å; L916-L920 HydrophobicContact CD1-CD1 4.47Å; L916-L920 HydrophobicContact CD1-CG 4.4Å; L916-L920 HydrophobicContact CG-CD1 4.09Å; L916-L920 HydrophobicContact CG-CG 4.45Å; L916-L920 WeakPolarHBondContact O-CB 3.45Å; L916-L920 VanDerWaalsContact O-CG 3.3Å; L916-L920 WeakPolarHBondContact O-CG 3.43Å; L916-L920 PolarHBondContact O-N 3.03Å; H917-L920 PolarHBondContact O-N 3.36Å; L920-V923 PolarHBondContact O-N 3.27Å; L920-G924 PolarHBondContact O-N 3.31Å; L920-L965 HydrophobicContact CD2-CD2 3.76Å; L920-V977 HydrophobicContact CD1-CG1 3.93Å; L920-L980 HydrophobicContact CB-CD2 3.74Å; L920-L980 HydrophobicContact CB-CG 4.1Å; L920-L981 HydrophobicContact CD1-CB 4Å; L920-L981 HydrophobicContact CD1-CD1 4.39Å; L920-L981 HydrophobicContact CD2-CD1 3.86Å; L920-T984 HydrophobicContact CD2-CG2 4.32Å
921F96.2Very high93.7Very high3 Ų315.8 Ų15.81%0.0138%0.084CC..Hα-helixtrans-64.8-43.2177.2-163.2-90.2000111.8I754 N837 P838 F839 P871 H917 R918 A919 G924 M925I754-F921 HydrophobicContact CD1-CB 4.23Å; I754-F921 HydrophobicContact CD1-CD1 3.93Å; I754-F921 HydrophobicContact CD1-CG 4.4Å; I754-F921 HydrophobicContact CG1-CD1 4.12Å; I754-F921 HydrophobicContact CG2-CD1 3.89Å; I754-F921 HydrophobicContact CG2-CE1 3.77Å; N837-F921 VanDerWaalsContact OD1-CZ 3.28Å; N837-F921 WeakPolarHBondContact OD1-CZ 3.29Å; P838-F921 HydrophobicContact CG-CD2 4.47Å; P838-F921 HydrophobicContact CG-CE2 3.94Å; F839-F921 HydrophobicContact CD2-CB 4.33Å; F839-F921 AromaticContact CD2-CD1 3.71Å; F839-F921 HydrophobicContact CD2-CD1 3.71Å; F839-F921 AromaticContact CD2-CD2 3.78Å; F839-F921 HydrophobicContact CD2-CD2 3.78Å; F839-F921 AromaticContact CD2-CE1 3.81Å; F839-F921 HydrophobicContact CD2-CE1 3.81Å; F839-F921 AromaticContact CD2-CE2 3.87Å; F839-F921 HydrophobicContact CD2-CE2 3.87Å; F839-F921 AromaticContact CD2-CG 3.68Å; F839-F921 HydrophobicContact CD2-CG 3.68Å; F839-F921 AromaticContact CD2-CZ 3.87Å; F839-F921 HydrophobicContact CD2-CZ 3.87Å; F839-F921 HydrophobicContact CE2-CB 3.74Å; F839-F921 HydrophobicContact CE2-CD1 4.01Å; F839-F921 AromaticContact CE2-CD2 3.55Å; F839-F921 HydrophobicContact CE2-CD2 3.55Å; F839-F921 HydrophobicContact CE2-CE1 4.47Å; F839-F921 HydrophobicContact CE2-CE2 4.06Å; F839-F921 AromaticContact CE2-CG 3.5Å; F839-F921 HydrophobicContact CE2-CG 3.5Å; F839-F921 VanDerWaalsContact CE2-CG 3.5Å; F839-F921 HydrophobicContact CE2-CZ 4.48Å; P871-F921 VanDerWaalsContact CA-CZ 3.46Å; P871-F921 HydrophobicContact CB-CD1 4.06Å; P871-F921 HydrophobicContact CB-CD2 4.03Å; P871-F921 HydrophobicContact CB-CE1 3.71Å; P871-F921 HydrophobicContact CB-CE2 3.7Å; P871-F921 HydrophobicContact CB-CG 4.22Å; P871-F921 HydrophobicContact CB-CZ 3.54Å; P871-F921 HydrophobicContact CG-CD2 4.39Å; P871-F921 HydrophobicContact CG-CE2 4.46Å; H917-F921 WeakPolarHBondContact O-CB 3.42Å; H917-F921 PolarHBondContact O-N 3.04Å; R918-F921 PolarHBondContact O-N 3.32Å; A919-F921 VanDerWaalsContact C-N 3.32Å; A919-F921 PolarHBondContact O-N 2.9Å; F921-G924 PolarHBondContact O-N 2.88Å; F921-M925 HydrophobicContact CD1-CG 4.13Å; F921-M925 HydrophobicContact CD1-SD 3.77Å; F921-M925 HydrophobicContact CE1-CG 4.16Å; F921-M925 HydrophobicContact CE1-SD 3.82Å; F921-M925 WeakPolarHBondContact O-CG 3.38Å; F921-M925 PolarHBondContact O-N 2.8Å
922L97.2Very high93.6Very high0 Ų016.8 Ų16.80%010%0.095CC..Hα-helixtrans-61.6-42.9174.3-76.6163.4000112.4L750 L753 I754 L757 F893 R918 A919 G924 M925 A926L750-L922 HydrophobicContact CB-CD1 4.38Å; L750-L922 HydrophobicContact CD2-CD1 3.95Å; L753-L922 HydrophobicContact CB-CD1 4.3Å; L753-L922 HydrophobicContact CB-CD2 4.08Å; I754-L922 HydrophobicContact CB-CD2 4.39Å; I754-L922 HydrophobicContact CD1-CG 4.32Å; I754-L922 HydrophobicContact CG1-CD1 4.2Å; I754-L922 HydrophobicContact CG1-CD2 3.59Å; I754-L922 HydrophobicContact CG1-CG 3.56Å; L757-L922 HydrophobicContact CD1-CD2 3.94Å; F893-L922 HydrophobicContact CE2-CD1 4.18Å; F893-L922 HydrophobicContact CZ-CB 4.14Å; R918-L922 WeakPolarHBondContact O-CG 3.45Å; R918-L922 PolarHBondContact O-N 3.32Å; A919-L922 PolarHBondContact O-N 3.41Å; L922-G924 VanDerWaalsContact C-N 3.33Å; L922-M925 HydrophobicContact CD2-SD 4.43Å; L922-M925 PolarHBondContact O-N 2.84Å; L922-A926 PolarHBondContact O-N 3.03Å; L922-A926 VanDerWaalsContact O-N 3.08Å
923V96.3Very high93.3Very high0 Ų016.4 Ų16.40%09%0.091CC..Hα-helixtrans-60.4-45.8172.41740000110L897 F901 A919 L920 M925 A926 L927 F946 L961 T984L897-V923 HydrophobicContact CD1-CG2 3.89Å; F901-V923 HydrophobicContact CE2-CG2 3.84Å; F901-V923 HydrophobicContact CZ-CG2 3.93Å; A919-V923 WeakPolarHBondContact O-CG2 3.45Å; A919-V923 PolarHBondContact O-N 3.33Å; L920-V923 PolarHBondContact O-N 3.27Å; V923-M925 VanDerWaalsContact C-N 3.31Å; V923-M925 PolarHBondContact O-N 3.29Å; V923-A926 WeakPolarHBondContact O-CB 3.42Å; V923-A926 PolarHBondContact O-N 3.21Å; V923-A926 VanDerWaalsContact O-N 3.07Å; V923-L927 HydrophobicContact CG1-CD1 4Å; V923-L927 HydrophobicContact CG1-CG 4.28Å; V923-L927 WeakPolarHBondContact O-CG 3.32Å; V923-L927 PolarHBondContact O-N 3.34Å; V923-F946 HydrophobicContact CB-CZ 4.39Å; V923-F946 HydrophobicContact CG1-CE1 3.86Å; V923-F946 HydrophobicContact CG1-CZ 3.99Å; V923-F946 HydrophobicContact CG2-CZ 4.08Å; V923-L961 HydrophobicContact CG1-CD2 4.44Å; V923-T984 HydrophobicContact CB-CG2 4.2Å; V923-T984 HydrophobicContact CG1-CG2 3.56Å
924G94.9Very high92.9Very high0 Ų015.8 Ų15.80%09%0.09CC..Hα-helixtrans-59.7-37.8176.900000113.7L920 F921 L922 A926 L927 N928L920-G924 PolarHBondContact O-N 3.31Å; F921-G924 PolarHBondContact O-N 2.88Å; L922-G924 VanDerWaalsContact C-N 3.33Å; G924-A926 VanDerWaalsContact C-N 3.34Å; G924-L927 PolarHBondContact O-N 3.27Å; G924-N928 PolarHBondContact O-N 3.47Å
925M95.4Very high92.5Very high16 Ų1616.5 Ų16.58%0.07910%0.097CC..Hα-helixtrans-63.2-41.1173.1-69.4171.866.500111.5I754 L757 G758 P871 F921 L922 V923 N928 E929I754-M925 HydrophobicContact CG1-SD 4.49Å; I754-M925 HydrophobicContact CG2-SD 4.09Å; L757-M925 HydrophobicContact CB-CE 3.63Å; G758-M925 VanDerWaalsContact CA-CE 3.42Å; P871-M925 HydrophobicContact CB-CG 3.69Å; P871-M925 HydrophobicContact CG-CG 4.25Å; F921-M925 HydrophobicContact CD1-CG 4.13Å; F921-M925 HydrophobicContact CD1-SD 3.77Å; F921-M925 HydrophobicContact CE1-CG 4.16Å; F921-M925 HydrophobicContact CE1-SD 3.82Å; F921-M925 WeakPolarHBondContact O-CG 3.38Å; F921-M925 PolarHBondContact O-N 2.8Å; L922-M925 HydrophobicContact CD2-SD 4.43Å; L922-M925 PolarHBondContact O-N 2.84Å; V923-M925 VanDerWaalsContact C-N 3.31Å; V923-M925 PolarHBondContact O-N 3.29Å; M925-N928 PolarHBondContact O-N 3.03Å; M925-E929 PolarHBondContact O-N 3.48Å; M925-E929 VanDerWaalsContact O-N 3.12Å
926A94.9Very high91.6Very high0 Ų018.3 Ų18.30%011%0.113CC..Hα-helixtrans-63.8-43176.300000112.3L888 L922 V923 G924 E929 E930 F946L888-A926 HydrophobicContact CB-CB 4.32Å; L888-A926 HydrophobicContact CD1-CB 4.21Å; L888-A926 HydrophobicContact CD2-CB 4.01Å; L888-A926 HydrophobicContact CG-CB 4.41Å; L922-A926 PolarHBondContact O-N 3.03Å; L922-A926 VanDerWaalsContact O-N 3.08Å; V923-A926 WeakPolarHBondContact O-CB 3.42Å; V923-A926 PolarHBondContact O-N 3.21Å; V923-A926 VanDerWaalsContact O-N 3.07Å; G924-A926 VanDerWaalsContact C-N 3.34Å; A926-E929 PolarHBondContact O-N 2.75Å; A926-E930 WeakPolarHBondContact O-CB 3.43Å; A926-E930 PolarHBondContact O-N 2.9Å; A926-F946 HydrophobicContact CB-CB 3.87Å; A926-F946 HydrophobicContact CB-CD1 3.74Å; A926-F946 HydrophobicContact CB-CD2 3.52Å; A926-F946 HydrophobicContact CB-CE1 4.17Å; A926-F946 HydrophobicContact CB-CE2 3.96Å; A926-F946 HydrophobicContact CB-CG 3.4Å; A926-F946 VanDerWaalsContact CB-CG 3.4Å; A926-F946 HydrophobicContact CB-CZ 4.27Å
927L94.7Very high90.6Very high0 Ų025.6 Ų25.60%015%0.152CC..Hα-helixtrans-66.9-37.2177-62.6174.1000112.1V923 G924 E929 S931 F946 T947 T984 M987 L988 I991V923-L927 HydrophobicContact CG1-CD1 4Å; V923-L927 HydrophobicContact CG1-CG 4.28Å; V923-L927 WeakPolarHBondContact O-CG 3.32Å; V923-L927 PolarHBondContact O-N 3.34Å; G924-L927 PolarHBondContact O-N 3.27Å; L927-E929 VanDerWaalsContact C-N 3.35Å; L927-S931 WeakPolarHBondContact O-CB 3.23Å; L927-S931 PolarHBondContact O-N 3.44Å; L927-F946 HydrophobicContact CD2-CD1 3.97Å; L927-F946 HydrophobicContact CD2-CE1 4.21Å; L927-T947 HydrophobicContact CD2-CG2 3.84Å; L927-T984 HydrophobicContact CD1-CG2 3.93Å; L927-M987 HydrophobicContact CB-CG 3.84Å; L927-M987 HydrophobicContact CD1-CB 4.12Å; L927-M987 HydrophobicContact CD1-CG 4.13Å; L927-L988 HydrophobicContact CD1-CB 4.1Å; L927-L988 HydrophobicContact CD2-CB 4.38Å; L927-L988 HydrophobicContact CD2-CD1 3.76Å; L927-I991 HydrophobicContact CB-CD1 3.8Å; L927-I991 HydrophobicContact CD2-CD1 3.84Å; L927-I991 HydrophobicContact CG-CD1 4.4Å; L927-I991 WeakPolarHBondContact O-CD1 3.37Å
928N93Very high89.3Confident20 Ų2029.6 Ų29.611%0.10718%0.179CC..Hα-helixtrans-61.3-44.3173.5-80.3-14.7000111.6P871 G924 M925 A932P871-N928 PolarHBondContact O-ND2 3.15Å; G924-N928 PolarHBondContact O-N 3.47Å; M925-N928 PolarHBondContact O-N 3.03Å; N928-A932 WeakPolarHBondContact O-CB 3.38Å; N928-A932 PolarHBondContact O-N 2.82Å
929E91.9Very high87.7Confident24 Ų2433 Ų3311%0.11221%0.205CC..Hα-helixtrans-64.4-47.3179.3-166.364.7-134.200111.2R760 L885 M925 A926 L927 S931 A932 Q933 V944R760-E929 IonicContact CZ-OE2 3.44Å; R760-E929 IonicContact NH1-OE2 3.38Å; R760-E929 PolarHBondContact NH1-OE2 3.41Å; R760-E929 IonicContact NH2-OE2 3.6Å; R760-E929 PolarHBondContact NH2-OE2 3.07Å; L885-E929 HydrophobicContact CD1-CG 3.92Å; L885-E929 HydrophobicContact CD2-CG 4.19Å; M925-E929 PolarHBondContact O-N 3.48Å; M925-E929 VanDerWaalsContact O-N 3.12Å; A926-E929 PolarHBondContact O-N 2.75Å; L927-E929 VanDerWaalsContact C-N 3.35Å; E929-S931 PolarHBondContact O-N 2.75Å; E929-A932 PolarHBondContact O-N 3.26Å; E929-Q933 VanDerWaalsContact O-CG 3.26Å; E929-Q933 WeakPolarHBondContact O-CG 3.47Å; E929-Q933 PolarHBondContact O-N 2.95Å; E929-V944 HydrophobicContact CB-CB 4.48Å; E929-V944 HydrophobicContact CB-CG1 4.47Å; E929-V944 HydrophobicContact CG-CB 3.98Å; E929-V944 HydrophobicContact CG-CG1 4.42Å; E929-V944 HydrophobicContact CG-CG2 3.65Å
930E91.4Very high86.2Confident4 Ų435.9 Ų35.92%0.01922%0.223CC..Hα-helixtrans-66.2-38.4178.4-173.1162.3-155.700112.6A926 Q933 L934 V944 F946 T947 I991 K995A926-E930 WeakPolarHBondContact O-CB 3.43Å; A926-E930 PolarHBondContact O-N 2.9Å; E930-Q933 PolarHBondContact O-N 3.39Å; E930-L934 WeakPolarHBondContact O-CG 3.39Å; E930-L934 PolarHBondContact O-N 3.04Å; E930-V944 WeakPolarHBondContact CG-O 3.42Å; E930-F946 PolarHBondContact OE1-N 3.1Å; E930-F946 WeakPolarHBondContact OE2-CB 3.37Å; E930-F946 PolarHBondContact OE2-N 3.4Å; E930-T947 VanDerWaalsContact CD-OG1 3.29Å; E930-T947 PolarHBondContact OE1-N 3.34Å; E930-T947 PolarHBondContact OE1-OG1 2.83Å; E930-T947 VanDerWaalsContact OE2-CG2 3.29Å; E930-T947 WeakPolarHBondContact OE2-CG2 3.42Å; E930-T947 PolarHBondContact OE2-N 2.86Å; E930-T947 PolarHBondContact OE2-OG1 3.5Å; E930-I991 HydrophobicContact CG-CG2 4.03Å; E930-K995 WeakPolarHBondContact OE1-CE 3.4Å; E930-K995 IonicContact OE1-NZ 2.92Å; E930-K995 PolarHBondContact OE1-NZ 2.88Å
931S90.3Very high84.3Confident23 Ų2341.4 Ų41.416%0.16127%0.269CS..Hα-helixtrans-65.5-40.2174.3-176.80000112.5L927 E929 Q933 L934 S935 M987 R994L927-S931 WeakPolarHBondContact O-CB 3.23Å; L927-S931 PolarHBondContact O-N 3.44Å; E929-S931 PolarHBondContact O-N 2.75Å; S931-Q933 VanDerWaalsContact C-N 3.33Å; S931-L934 PolarHBondContact O-N 2.68Å; S931-S935 PolarHBondContact O-N 3.23Å; S931-S935 PolarHBondContact O-OG 3.32Å; S931-M987 VanDerWaalsContact CB-CE 3.48Å; S931-R994 PolarHBondContact OG-NH1 3.47Å
932A87.4Confident82.6Confident45 Ų4546 Ų4637%0.37229%0.29SS..Hα-helixtrans-63-41.3175.100000111N928 E929 S935 A936N928-A932 WeakPolarHBondContact O-CB 3.38Å; N928-A932 PolarHBondContact O-N 2.82Å; E929-A932 PolarHBondContact O-N 3.26Å; A932-S935 CarbonylContact O-C 3.42Å; A932-S935 PolarHBondContact O-N 2.97Å; A932-S935 VanDerWaalsContact O-N 3.15Å; A932-A936 PolarHBondContact O-N 3.05Å; A932-A936 VanDerWaalsContact O-N 3.09Å
933Q84.4Confident81.2Confident25 Ų2548.4 Ų48.412%0.11732%0.316CS..Hα-helixtrans-65.5-42.9176.8-70.9174.12.900113.1E929 E930 S931 S935 A936 P940 V944E929-Q933 VanDerWaalsContact O-CG 3.26Å; E929-Q933 WeakPolarHBondContact O-CG 3.47Å; E929-Q933 PolarHBondContact O-N 2.95Å; E930-Q933 PolarHBondContact O-N 3.39Å; S931-Q933 VanDerWaalsContact C-N 3.33Å; Q933-S935 PolarHBondContact O-N 3.18Å; Q933-S935 VanDerWaalsContact O-N 3.16Å; Q933-A936 PolarHBondContact O-N 3.26Å; Q933-A936 VanDerWaalsContact O-N 3.15Å; Q933-P940 HydrophobicContact CB-CG 4.39Å; Q933-P940 HydrophobicContact CG-CG 3.84Å; Q933-V944 VanDerWaalsContact CD-N 3.31Å; Q933-V944 PolarHBondContact OE1-O 3Å
934L82.3Confident80.6Confident58 Ų5848.8 Ų48.830%0.30432%0.318SS..Hα-helixtrans-63.2-18174-72.6173.3000113.1E930 S931 I991 R994 K995E930-L934 WeakPolarHBondContact O-CG 3.39Å; E930-L934 PolarHBondContact O-N 3.04Å; S931-L934 PolarHBondContact O-N 2.68Å; L934-I991 HydrophobicContact CD1-CG2 3.83Å; L934-R994 VanDerWaalsContact CB-NH2 3.26Å; L934-R994 HydrophobicContact CD1-CB 4.31Å; L934-R994 PolarHBondContact O-NH2 3.25Å; L934-K995 HydrophobicContact CD1-CG 4.13Å; L934-K995 HydrophobicContact CD2-CG 4.12Å
935S81.3Confident80.2Confident76 Ų7651.1 Ų51.153%0.53133%0.33SS..THydrogen-bonded Turntrans-100.4-7.9179.7-45.80000112.7S931 A932 Q933 R994S931-S935 PolarHBondContact O-N 3.23Å; S931-S935 PolarHBondContact O-OG 3.32Å; A932-S935 CarbonylContact O-C 3.42Å; A932-S935 PolarHBondContact O-N 2.97Å; A932-S935 VanDerWaalsContact O-N 3.15Å; Q933-S935 PolarHBondContact O-N 3.18Å; Q933-S935 VanDerWaalsContact O-N 3.16Å; S935-R994 PolarHBondContact OG-NH1 3.47Å; S935-R994 PolarHBondContact OG-NH2 3.17Å
936A76.8Confident80.1Confident40 Ų4050.3 Ų50.333%0.33133%0.326SS..SBendtrans-84.8134.5178.400000110.6A932 Q933 P938A932-A936 PolarHBondContact O-N 3.05Å; A932-A936 VanDerWaalsContact O-N 3.09Å; Q933-A936 PolarHBondContact O-N 3.26Å; Q933-A936 VanDerWaalsContact O-N 3.15Å; A936-P938 CarbonylContact O-C 3.5Å
937D72.3Confident79.9Confident158 Ų15850.9 Ų50.985%0.84533%0.33SS*.SBendtrans-126.4111.3176.5-175.114.6000109.8
938P65.6Low79.7Confident105 Ų10555.7 Ų55.768%0.68235%0.352SS*.SBendcis-76.9157.6-0.931.2-34.5000113.4A936A936-P938 CarbonylContact O-C 3.5Å
939P63.7Low79.6Confident97 Ų9758 Ų5863%0.6336%0.36SS*.PPolyproline II helixtrans-62.6141.8175.323.8-31.6000111.2
940P63.9Low79.5Confident59 Ų5957 Ų5738%0.38336%0.355SS..PPolyproline II helixtrans-64.9147.4-177.823.4-30.5000112.6Q933 E942Q933-P940 HydrophobicContact CB-CG 4.39Å; Q933-P940 HydrophobicContact CG-CG 3.84Å; P940-E942 VanDerWaalsContact C-N 3.29Å; P940-E942 PolarHBondContact O-N 3.13Å
941A56.8Low79.4Confident116 Ų11658.2 Ų58.296%0.95937%0.369SS*.SBendtrans-64.1-28.9-177.500000114.1
942E59.2Low79.2Confident99 Ų9961.7 Ų61.746%0.46338%0.383SS..SBendtrans-116109.9169.1-74.3-169.217700108.9R886 P940R886-E942 IonicContact CZ-OE1 3.86Å; R886-E942 IonicContact CZ-OE2 3.82Å; R886-E942 IonicContact NE-OE2 3.79Å; R886-E942 IonicContact NH2-OE1 3.3Å; R886-E942 PolarHBondContact NH2-OE1 3.19Å; R886-E942 IonicContact NH2-OE2 2.91Å; R886-E942 PolarHBondContact NH2-OE2 3.26Å; P940-E942 VanDerWaalsContact C-N 3.29Å; P940-E942 PolarHBondContact O-N 3.13Å
943G68Low79.3Confident52 Ų5261.5 Ų61.554%0.53638%0.377SS..  trans-108.7152.2-177.700000113.6N945G943-N945 PolarHBondContact O-N 3.24Å
944V83.4Confident79.6Confident7 Ų760.3 Ų60.34%0.04237%0.371CS..  trans-85.499.8169.6174.10000107.6L885 L888 E929 E930 Q933 F946L885-V944 HydrophobicContact CB-CG2 3.72Å; L885-V944 HydrophobicContact CD1-CG2 4.06Å; L885-V944 HydrophobicContact CG-CG2 4.4Å; L888-V944 HydrophobicContact CB-CG1 4.38Å; L888-V944 HydrophobicContact CD1-CG1 4.27Å; E929-V944 HydrophobicContact CB-CB 4.48Å; E929-V944 HydrophobicContact CB-CG1 4.47Å; E929-V944 HydrophobicContact CG-CB 3.98Å; E929-V944 HydrophobicContact CG-CG1 4.42Å; E929-V944 HydrophobicContact CG-CG2 3.65Å; E930-V944 WeakPolarHBondContact CG-O 3.42Å; Q933-V944 VanDerWaalsContact CD-N 3.31Å; Q933-V944 PolarHBondContact OE1-O 3Å; V944-F946 VanDerWaalsContact C-N 3.31Å; V944-F946 HydrophobicContact CG1-CB 3.97Å; V944-F946 PolarHBondContact O-N 3.45Å
945N87.8Confident80Confident49 Ų4962.4 Ų62.426%0.26238%0.378SS..  trans-94.357.9175.8-168.78.7000111.3G943 E948 R949 K995G943-N945 PolarHBondContact O-N 3.24Å; N945-E948 VanDerWaalsContact ND2-CD 3.29Å; N945-E948 PolarHBondContact ND2-OE2 3.23Å; N945-E948 WeakPolarHBondContact OD1-CB 3.5Å; N945-R949 WeakPolarHBondContact O-CB 3.43Å; N945-R949 WeakPolarHBondContact O-CG 3.46Å; N945-R949 PolarHBondContact O-N 2.99Å; N945-K995 PolarHBondContact OD1-NZ 2.87Å
946F93.2Very high80.4Confident0 Ų059.5 Ų59.50%036%0.355CS..Hα-helixtrans-65.6-49.8-171.7171.2-97.8000111.7L888 F893 L894 L897 V923 A926 L927 E930 V944 E948 R949 A950 L961L888-F946 VanDerWaalsContact O-CD2 3.29Å; L888-F946 WeakPolarHBondContact O-CD2 3.46Å; F893-F946 HydrophobicContact CE1-CE2 4.4Å; L894-F946 HydrophobicContact CD2-CD2 4.26Å; L894-F946 HydrophobicContact CD2-CE2 3.77Å; L897-F946 HydrophobicContact CD1-CE2 4.33Å; L897-F946 HydrophobicContact CD1-CZ 4.48Å; V923-F946 HydrophobicContact CB-CZ 4.39Å; V923-F946 HydrophobicContact CG1-CE1 3.86Å; V923-F946 HydrophobicContact CG1-CZ 3.99Å; V923-F946 HydrophobicContact CG2-CZ 4.08Å; A926-F946 HydrophobicContact CB-CB 3.87Å; A926-F946 HydrophobicContact CB-CD1 3.74Å; A926-F946 HydrophobicContact CB-CD2 3.52Å; A926-F946 HydrophobicContact CB-CE1 4.17Å; A926-F946 HydrophobicContact CB-CE2 3.96Å; A926-F946 HydrophobicContact CB-CG 3.4Å; A926-F946 VanDerWaalsContact CB-CG 3.4Å; A926-F946 HydrophobicContact CB-CZ 4.27Å; L927-F946 HydrophobicContact CD2-CD1 3.97Å; L927-F946 HydrophobicContact CD2-CE1 4.21Å; E930-F946 PolarHBondContact OE1-N 3.1Å; E930-F946 WeakPolarHBondContact OE2-CB 3.37Å; E930-F946 PolarHBondContact OE2-N 3.4Å; V944-F946 VanDerWaalsContact C-N 3.31Å; V944-F946 HydrophobicContact CG1-CB 3.97Å; V944-F946 PolarHBondContact O-N 3.45Å; F946-E948 PolarHBondContact O-N 2.84Å; F946-R949 PolarHBondContact O-N 3.27Å; F946-A950 HydrophobicContact CE1-CB 4.2Å; F946-A950 HydrophobicContact CE2-CB 4.26Å; F946-A950 HydrophobicContact CZ-CB 4.04Å; F946-A950 WeakPolarHBondContact O-CB 3.2Å; F946-A950 PolarHBondContact O-N 3.48Å; F946-L961 HydrophobicContact CE1-CD2 3.83Å; F946-L961 HydrophobicContact CZ-CD2 3.69Å
947T90.8Very high80.9Confident12 Ų1264.8 Ų64.87%0.07437%0.371CS..Hα-helixtrans-56.6-44.4-177.849.70000113.2L927 E930 G951 L988 I991 K995L927-T947 HydrophobicContact CD2-CG2 3.84Å; E930-T947 VanDerWaalsContact CD-OG1 3.29Å; E930-T947 PolarHBondContact OE1-N 3.34Å; E930-T947 PolarHBondContact OE1-OG1 2.83Å; E930-T947 VanDerWaalsContact OE2-CG2 3.29Å; E930-T947 WeakPolarHBondContact OE2-CG2 3.42Å; E930-T947 PolarHBondContact OE2-N 2.86Å; E930-T947 PolarHBondContact OE2-OG1 3.5Å; T947-G951 PolarHBondContact O-N 3.5Å; T947-L988 HydrophobicContact CG2-CD1 3.55Å; T947-I991 HydrophobicContact CG2-CB 4.39Å; T947-I991 HydrophobicContact CG2-CG2 3.74Å; T947-K995 PolarHBondContact OG1-NZ 3.44Å
948E89.2Confident81.6Confident101 Ų10164.7 Ų64.747%0.47237%0.37SS..Hα-helixtrans-68.2-47179.2-169.3-171.7140.600111.4N945 F946 G951 Q952N945-E948 VanDerWaalsContact ND2-CD 3.29Å; N945-E948 PolarHBondContact ND2-OE2 3.23Å; N945-E948 WeakPolarHBondContact OD1-CB 3.5Å; F946-E948 PolarHBondContact O-N 2.84Å; E948-G951 PolarHBondContact O-N 3.29Å; E948-Q952 WeakPolarHBondContact O-CG 3.14Å; E948-Q952 PolarHBondContact O-N 3.06Å; E948-Q952 VanDerWaalsContact O-N 3.12Å; E948-Q952 PolarHBondContact OE1-NE2 2.93Å
949R91.6Very high82.8Confident69 Ų6960.7 Ų60.726%0.2634%0.343SS..Hα-helixtrans-65.2-41.2-179.6-70.4-74.9-65.6156.64.1111.7C889 D891 L894 N945 F946 Q952 V953C889-R949 HydrophobicContact CB-CG 4.31Å; C889-R949 PolarHBondContact O-NE 3.19Å; C889-R949 PolarHBondContact O-NH2 2.96Å; D891-R949 IonicContact OD1-CZ 3.89Å; D891-R949 IonicContact OD1-NH1 3Å; D891-R949 IonicContact OD1-NH2 3.91Å; D891-R949 PolarHBondContact OD1-NH2 3.36Å; L894-R949 HydrophobicContact CD1-CB 3.86Å; N945-R949 WeakPolarHBondContact O-CB 3.43Å; N945-R949 WeakPolarHBondContact O-CG 3.46Å; N945-R949 PolarHBondContact O-N 2.99Å; F946-R949 PolarHBondContact O-N 3.27Å; R949-Q952 PolarHBondContact O-N 2.08Å; R949-V953 PolarHBondContact O-N 2.88Å
950A91.1Very high84.1Confident1 Ų158.2 Ų58.21%0.00833%0.325CS..Hα-helixtrans-62.7-41.5174.700000111.5L894 F946 Q952 C954 L961L894-A950 HydrophobicContact CD2-CB 4.12Å; F946-A950 HydrophobicContact CE1-CB 4.2Å; F946-A950 HydrophobicContact CE2-CB 4.26Å; F946-A950 HydrophobicContact CZ-CB 4.04Å; F946-A950 WeakPolarHBondContact O-CB 3.2Å; F946-A950 PolarHBondContact O-N 3.48Å; A950-Q952 PolarHBondContact O-N 3.34Å; A950-C954 HydrophobicContact CB-CB 4.19Å; A950-C954 WeakPolarHBondContact O-CA 3.29Å; A950-C954 WeakPolarHBondContact O-CB 3.12Å; A950-C954 PolarHBondContact O-N 3.11Å; A950-L961 HydrophobicContact CB-CB 4.39Å; A950-L961 HydrophobicContact CB-CD2 3.78Å
951G87.3Confident85.4Confident31 Ų3155.6 Ų55.632%0.3231%0.307SS..Hα-helixtrans-60.9-32.6174.100000113.7T947 E948 K955T947-G951 PolarHBondContact O-N 3.5Å; E948-G951 PolarHBondContact O-N 3.29Å; G951-K955 WeakPolarHBondContact O-CE 3.4Å
952Q87.5Confident86.9Confident96 Ų9651.3 Ų51.345%0.44927%0.269SS..Hα-helixtrans-81.7-46.2179.8-69.1170.48.300113.2E948 R949 A950 K955E948-Q952 WeakPolarHBondContact O-CG 3.14Å; E948-Q952 PolarHBondContact O-N 3.06Å; E948-Q952 VanDerWaalsContact O-N 3.12Å; E948-Q952 PolarHBondContact OE1-NE2 2.93Å; R949-Q952 PolarHBondContact O-N 2.08Å; A950-Q952 PolarHBondContact O-N 3.34Å; Q952-K955 WeakPolarHBondContact O-CD 3.49Å; Q952-K955 WeakPolarHBondContact O-CE 3.25Å; Q952-K955 PolarHBondContact O-NZ 3.1Å; Q952-K955 VanDerWaalsContact O-NZ 3.17Å
953V88.5Confident88.4Confident40 Ų4050.1 Ų50.124%0.24226%0.264CS..Hα-helixtrans-111.1-33.6-164.4-174.10000113.5D891 L894 R949 K955D891-V953 HydrophobicContact CB-CG1 4.3Å; L894-V953 HydrophobicContact CB-CB 4.2Å; L894-V953 HydrophobicContact CB-CG1 4.03Å; L894-V953 HydrophobicContact CD1-CB 3.95Å; L894-V953 HydrophobicContact CD1-CG1 4.43Å; L894-V953 HydrophobicContact CD1-CG2 4.48Å; R949-V953 PolarHBondContact O-N 2.88Å; V953-K955 PolarHBondContact O-N 3.48Å
954C91.1Very high89.5Confident0 Ų047.7 Ų47.70%024%0.238CC..  trans-78.572.8-179.6-174.90000110.2L894 A950 L961L894-C954 HydrophobicContact CB-CB 4.19Å; L894-C954 HydrophobicContact CD2-CB 4.32Å; A950-C954 HydrophobicContact CB-CB 4.19Å; A950-C954 WeakPolarHBondContact O-CA 3.29Å; A950-C954 WeakPolarHBondContact O-CB 3.12Å; A950-C954 PolarHBondContact O-N 3.11Å; C954-L961 HydrophobicContact CB-CB 4.32Å; C954-L961 PolarHBondContact O-N 3.06Å
955K90.3Very high89.9Confident103 Ų10347.5 Ų47.545%0.44824%0.237SC..EExtended strand (participates in β ladder)trans-120.4130.1-176.1-68.5178.3177.6165.40112H729 G951 Q952 V953 L959H729-K955 PolarHBondContact CE1-O 3.07Å; H729-K955 VanDerWaalsContact CE1-O 3.27Å; G951-K955 WeakPolarHBondContact O-CE 3.4Å; Q952-K955 WeakPolarHBondContact O-CD 3.49Å; Q952-K955 WeakPolarHBondContact O-CE 3.25Å; Q952-K955 PolarHBondContact O-NZ 3.1Å; Q952-K955 VanDerWaalsContact O-NZ 3.17Å; V953-K955 PolarHBondContact O-N 3.48Å; K955-L959 VanDerWaalsContact CA-O 3.26Å; K955-L959 WeakPolarHBondContact CA-O 3.41Å
956W90.6Very high90Very high15 Ų1550.1 Ų50.16%0.05725%0.248CC..EExtended strand (participates in β ladder)trans-118.8112.4170.5178.6-89.9000108.9H729 T899 R903 E906 D958 L959 L964H729-W956 HydrophobicContact CB-CZ3 4.12Å; H729-W956 AromaticContact CD2-CE3 3.62Å; H729-W956 AromaticContact CD2-CZ3 3.46Å; H729-W956 VanDerWaalsContact CD2-CZ3 3.46Å; H729-W956 WeakPolarHBondContact CD2-CZ3 3.18Å; H729-W956 AromaticContact CG-CE3 3.93Å; H729-W956 AromaticContact CG-CZ3 3.78Å; H729-W956 AromaticContact NE2-CE3 3.67Å; T899-W956 HydrophobicContact CG2-CZ3 4.07Å; R903-W956 HydrophobicContact CG-CH2 3.95Å; R903-W956 HydrophobicContact CG-CZ2 4.27Å; E906-W956 PolarHBondContact OE1-NE1 3.24Å; W956-D958 PolarHBondContact O-N 2.99Å; W956-L959 PolarHBondContact N-O 3.11Å; W956-L959 WeakPolarHBondContact O-CB 3.31Å; W956-L959 PolarHBondContact O-N 3.18Å; W956-L964 HydrophobicContact CB-CD1 4.01Å; W956-L964 HydrophobicContact CB-CD2 3.99Å
957K87.7Confident89.9Confident150 Ų15057.4 Ų57.465%0.65228%0.275SS*.THydrogen-bonded Turntrans54.6-124.1-165.5-58172176.2169.40109E906E906-K957 WeakPolarHBondContact OE1-CE 2.91Å; E906-K957 IonicContact OE1-NZ 3.71Å; E906-K957 PolarHBondContact OE1-NZ 3.03Å; E906-K957 IonicContact OE2-NZ 3.53Å
958D85.9Confident89.8Confident157 Ų15757.3 Ų57.384%0.8427%0.274SS*.THydrogen-bonded Turntrans-91.34.9179.3-58.8-42.5000114W956W956-D958 PolarHBondContact O-N 2.99Å
959L90.8Very high89.4Confident21 Ų2160 Ų6011%0.1128%0.28CS..EExtended strand (participates in β ladder)trans-100.7129.1-172.3-55.7172000112.1K955 W956 Q963 L964 R967K955-L959 VanDerWaalsContact CA-O 3.26Å; K955-L959 WeakPolarHBondContact CA-O 3.41Å; W956-L959 PolarHBondContact N-O 3.11Å; W956-L959 WeakPolarHBondContact O-CB 3.31Å; W956-L959 PolarHBondContact O-N 3.18Å; L959-Q963 HydrophobicContact CB-CB 4.3Å; L959-Q963 HydrophobicContact CD2-CB 4.12Å; L959-L964 HydrophobicContact CB-CD2 3.75Å; L959-L964 HydrophobicContact CB-CG 3.91Å; L959-L964 HydrophobicContact CD1-CD2 3.9Å; L959-R967 VanDerWaalsContact CD2-NH1 3.31Å
960N90.8Very high88.8Confident45 Ų4559.7 Ų59.724%0.24129%0.285CS..EExtended strand (participates in β ladder)trans-84.6171.4170.469.720.4000112T962 Q963 L964N960-T962 VanDerWaalsContact C-N 3.34Å; N960-T962 PolarHBondContact O-N 3.45Å; N960-T962 PolarHBondContact OD1-N 3.31Å; N960-Q963 VanDerWaalsContact N-OE1 3.1Å; N960-Q963 PolarHBondContact O-N 3.14Å; N960-Q963 VanDerWaalsContact O-N 3.13Å; N960-Q963 WeakPolarHBondContact OD1-CB 3.32Å; N960-Q963 VanDerWaalsContact OD1-CG 3.23Å; N960-Q963 WeakPolarHBondContact OD1-CG 3.27Å; N960-Q963 PolarHBondContact OD1-N 3.03Å; N960-L964 VanDerWaalsContact O-CG 3.29Å; N960-L964 WeakPolarHBondContact O-CG 3.41Å; N960-L964 PolarHBondContact O-N 3.18Å
961L91Very high88.1Confident3 Ų364 Ų642%0.01632%0.322CS..Hα-helixtrans-50.5-48.1-179-179.562.3000113.3F901 V923 F946 A950 C954 Q963 L964 L965F901-L961 HydrophobicContact CD2-CD1 3.6Å; F901-L961 HydrophobicContact CE2-CD1 3.67Å; V923-L961 HydrophobicContact CG1-CD2 4.44Å; F946-L961 HydrophobicContact CE1-CD2 3.83Å; F946-L961 HydrophobicContact CZ-CD2 3.69Å; A950-L961 HydrophobicContact CB-CB 4.39Å; A950-L961 HydrophobicContact CB-CD2 3.78Å; C954-L961 HydrophobicContact CB-CB 4.32Å; C954-L961 PolarHBondContact O-N 3.06Å; L961-Q963 VanDerWaalsContact C-N 3.35Å; L961-Q963 PolarHBondContact O-N 3.28Å; L961-L964 WeakPolarHBondContact O-CB 2.96Å; L961-L964 PolarHBondContact O-N 2.66Å; L961-L965 HydrophobicContact CD1-CD1 4.23Å; L961-L965 HydrophobicContact CD1-CD2 4.4Å; L961-L965 HydrophobicContact CD1-CG 4.09Å; L961-L965 HydrophobicContact CG-CD1 4.23Å; L961-L965 HydrophobicContact CG-CG 4.45Å; L961-L965 WeakPolarHBondContact O-CG 3.33Å; L961-L965 PolarHBondContact O-N 3.37Å
962T89.2Confident87.7Confident26 Ų2669.1 Ų69.116%0.1634%0.335CS..Hα-helixtrans-59.7-45.7-179.4-44.60000111.1N960 L965 E966 F985 L988 E992N960-T962 VanDerWaalsContact C-N 3.34Å; N960-T962 PolarHBondContact O-N 3.45Å; N960-T962 PolarHBondContact OD1-N 3.31Å; T962-L965 PolarHBondContact O-N 2.93Å; T962-E966 WeakPolarHBondContact O-CG 3.39Å; T962-E966 PolarHBondContact O-N 3.19Å; T962-E966 VanDerWaalsContact O-N 3.12Å; T962-F985 HydrophobicContact CG2-CE2 4.13Å; T962-L988 HydrophobicContact CG2-CD2 4.07Å; T962-E992 PolarHBondContact OG1-OE1 3.24Å
963Q90.7Very high87.5Confident75 Ų7565.4 Ų65.435%0.3532%0.318SS..Hα-helixtrans-68.4-32.8176.9-68.4167.3-18.100112.9L959 N960 L961 R967L959-Q963 HydrophobicContact CB-CB 4.3Å; L959-Q963 HydrophobicContact CD2-CB 4.12Å; N960-Q963 VanDerWaalsContact N-OE1 3.1Å; N960-Q963 PolarHBondContact O-N 3.14Å; N960-Q963 VanDerWaalsContact O-N 3.13Å; N960-Q963 WeakPolarHBondContact OD1-CB 3.32Å; N960-Q963 VanDerWaalsContact OD1-CG 3.23Å; N960-Q963 WeakPolarHBondContact OD1-CG 3.27Å; N960-Q963 PolarHBondContact OD1-N 3.03Å; L961-Q963 VanDerWaalsContact C-N 3.35Å; L961-Q963 PolarHBondContact O-N 3.28Å; Q963-R967 WeakPolarHBondContact O-CB 3.22Å; Q963-R967 VanDerWaalsContact O-CG 3.29Å; Q963-R967 WeakPolarHBondContact O-CG 3.28Å; Q963-R967 PolarHBondContact O-N 3.42Å
964L91.9Very high87.3Confident0 Ų065.9 Ų65.90%032%0.323CS..Hα-helixtrans-65.7-49.2175.2-72.6170.7000110.6F901 T905 W956 L959 N960 L961 E966 R967 I968F901-L964 HydrophobicContact CB-CB 4.12Å; F901-L964 HydrophobicContact CB-CD1 4.23Å; T905-L964 HydrophobicContact CG2-CB 4.48Å; T905-L964 HydrophobicContact CG2-CD2 3.92Å; T905-L964 VanDerWaalsContact CG2-O 3.28Å; T905-L964 WeakPolarHBondContact CG2-O 3.32Å; W956-L964 HydrophobicContact CB-CD1 4.01Å; W956-L964 HydrophobicContact CB-CD2 3.99Å; L959-L964 HydrophobicContact CB-CD2 3.75Å; L959-L964 HydrophobicContact CB-CG 3.91Å; L959-L964 HydrophobicContact CD1-CD2 3.9Å; N960-L964 VanDerWaalsContact O-CG 3.29Å; N960-L964 WeakPolarHBondContact O-CG 3.41Å; N960-L964 PolarHBondContact O-N 3.18Å; L961-L964 WeakPolarHBondContact O-CB 2.96Å; L961-L964 PolarHBondContact O-N 2.66Å; L964-E966 VanDerWaalsContact C-N 3.32Å; L964-E966 PolarHBondContact O-N 3.13Å; L964-R967 PolarHBondContact O-N 3.4Å; L964-R967 VanDerWaalsContact O-N 3.11Å; L964-I968 WeakPolarHBondContact O-CG1 3.19Å; L964-I968 PolarHBondContact O-N 3.23Å
965L91.6Very high86.9Confident4 Ų468.7 Ų68.72%0.02135%0.346CS..Hα-helixtrans-61-39.6178.5-64.8179.9000112.1F901 L920 L961 T962 R967 I968 L981 T984 L988F901-L965 HydrophobicContact CD1-CD2 3.85Å; F901-L965 HydrophobicContact CE1-CD2 3.68Å; F901-L965 HydrophobicContact CE2-CD2 4.37Å; F901-L965 HydrophobicContact CG-CD2 4.29Å; F901-L965 HydrophobicContact CZ-CD2 3.96Å; L920-L965 HydrophobicContact CD2-CD2 3.76Å; L961-L965 HydrophobicContact CD1-CD1 4.23Å; L961-L965 HydrophobicContact CD1-CD2 4.4Å; L961-L965 HydrophobicContact CD1-CG 4.09Å; L961-L965 HydrophobicContact CG-CD1 4.23Å; L961-L965 HydrophobicContact CG-CG 4.45Å; L961-L965 WeakPolarHBondContact O-CG 3.33Å; L961-L965 PolarHBondContact O-N 3.37Å; T962-L965 PolarHBondContact O-N 2.93Å; L965-R967 VanDerWaalsContact C-N 3.29Å; L965-R967 PolarHBondContact O-N 3.41Å; L965-I968 HydrophobicContact CD2-CD1 4.06Å; L965-L981 HydrophobicContact CB-CD1 4.09Å; L965-L981 HydrophobicContact CD2-CD1 3.89Å; L965-T984 HydrophobicContact CD1-CG2 4.26Å; L965-L988 HydrophobicContact CD1-CD2 4.27Å
966E89.5Confident86.5Confident103 Ų10365.8 Ų65.848%0.48134%0.335SS..Hα-helixtrans-63-31.9175.2-74.8179.8174.900113.3T962 L964 F985 R989T962-E966 WeakPolarHBondContact O-CG 3.39Å; T962-E966 PolarHBondContact O-N 3.19Å; T962-E966 VanDerWaalsContact O-N 3.12Å; L964-E966 VanDerWaalsContact C-N 3.32Å; L964-E966 PolarHBondContact O-N 3.13Å; E966-F985 HydrophobicContact CG-CD2 4.29Å; E966-F985 HydrophobicContact CG-CE2 3.28Å; E966-F985 HydrophobicContact CG-CZ 3.45Å; E966-F985 VanDerWaalsContact CG-CZ 3.45Å; E966-F985 WeakPolarHBondContact OE1-CE2 3.36Å; E966-F985 WeakPolarHBondContact OE1-CZ 3.26Å; E966-R989 IonicContact OE1-CZ 3.47Å; E966-R989 IonicContact OE1-NH2 2.76Å; E966-R989 PolarHBondContact OE1-NH2 3.43Å
967R90Very high86.4Confident154 Ų15465.3 Ų65.358%0.58133%0.333SS*.Hα-helixtrans-89.6-6.6-174.5-74.5-179.6-179.1-159.55.6114.4T905 L959 Q963 L964 L965 R969T905-R967 HydrophobicContact CG2-CB 3.81Å; L959-R967 VanDerWaalsContact CD2-NH1 3.31Å; Q963-R967 WeakPolarHBondContact O-CB 3.22Å; Q963-R967 VanDerWaalsContact O-CG 3.29Å; Q963-R967 WeakPolarHBondContact O-CG 3.28Å; Q963-R967 PolarHBondContact O-N 3.42Å; L964-R967 PolarHBondContact O-N 3.4Å; L964-R967 VanDerWaalsContact O-N 3.11Å; L965-R967 VanDerWaalsContact C-N 3.29Å; L965-R967 PolarHBondContact O-N 3.41Å; R967-R969 PolarHBondContact O-N 2.88Å
968I89.4Confident86.5Confident9 Ų963.2 Ų63.25%0.04632%0.321CS..SBendtrans-64.3128.7176.7-67.1169.5000109.6F901 A904 T905 L916 L964 L965 V970 L973 L981F901-I968 HydrophobicContact CD1-CD1 3.93Å; A904-I968 HydrophobicContact CB-CG1 4.4Å; T905-I968 HydrophobicContact CG2-CG1 4.13Å; L916-I968 HydrophobicContact CD1-CD1 3.96Å; L916-I968 HydrophobicContact CD2-CG2 4.17Å; L964-I968 WeakPolarHBondContact O-CG1 3.19Å; L964-I968 PolarHBondContact O-N 3.23Å; L965-I968 HydrophobicContact CD2-CD1 4.06Å; I968-V970 PolarHBondContact O-N 3.13Å; I968-L973 HydrophobicContact CG2-CD1 3.98Å; I968-L981 HydrophobicContact CB-CD2 4.16Å; I968-L981 HydrophobicContact CD1-CD1 4.19Å; I968-L981 HydrophobicContact CG2-CD2 4.14Å
969R80.4Confident86.6Confident158 Ų15856.6 Ų56.660%0.59629%0.288SS*.  trans-72.495.6-179.2-68.8-167.9-174.5178.92.2111.9N907 R967 A971 K972N907-R969 WeakPolarHBondContact ND2-CD 3.27Å; N907-R969 PolarHBondContact ND2-NE 3.42Å; R967-R969 PolarHBondContact O-N 2.88Å; R969-A971 PolarHBondContact O-N 3.02Å; R969-A971 VanDerWaalsContact O-N 3.09Å; R969-K972 PolarHBondContact O-N 3.2Å
970V79.8Confident86.6Confident62 Ų6255.6 Ų55.638%0.37628%0.282SS..G310 helixtrans-55.5-29.2-177.9-1790000114.6I968 K972 L973 R978 L981I968-V970 PolarHBondContact O-N 3.13Å; V970-K972 VanDerWaalsContact C-N 3.27Å; V970-K972 PolarHBondContact O-N 3.5Å; V970-L973 PolarHBondContact O-N 2.83Å; V970-R978 HydrophobicContact CG1-CB 4.32Å; V970-R978 HydrophobicContact CG1-CG 3.45Å; V970-R978 VanDerWaalsContact CG1-CG 3.45Å; V970-R978 VanDerWaalsContact CG1-NE 3.28Å; V970-R978 PolarHBondContact O-NE 3.19Å; V970-R978 PolarHBondContact O-NH2 3.41Å; V970-R978 VanDerWaalsContact O-NH2 3.17Å; V970-L981 HydrophobicContact CG2-CD2 4.25Å
971A76.7Confident86.7Confident93 Ų9354 Ų5477%0.76927%0.274SS*.G310 helixtrans-63.2-27.3-174.900000114.5R969R969-A971 PolarHBondContact O-N 3.02Å; R969-A971 VanDerWaalsContact O-N 3.09Å
972K77.6Confident86.6Confident138 Ų13856.7 Ų56.760%0.629%0.288SS*.G310 helixtrans-88.9-10.7179.8-71.4-174175.2179.30114.1N907 R969 V970N907-K972 PolarHBondContact OD1-NZ 3.3Å; R969-K972 PolarHBondContact O-N 3.2Å; V970-K972 VanDerWaalsContact C-N 3.27Å; V970-K972 PolarHBondContact O-N 3.5Å
973L84.9Confident86.7Confident18 Ų1857.6 Ų57.69%0.09429%0.288CS..SBendtrans-85.5143.4-175.7-58.2177.6000111.2E913 L916 I968 V970 V977 R978 L981E913-L973 HydrophobicContact CG-CD2 4.35Å; L916-L973 HydrophobicContact CD2-CD1 4.22Å; L916-L973 HydrophobicContact CD2-CD2 3.61Å; I968-L973 HydrophobicContact CG2-CD1 3.98Å; V970-L973 PolarHBondContact O-N 2.83Å; L973-V977 HydrophobicContact CB-CB 4.5Å; L973-V977 HydrophobicContact CD1-CG1 4.23Å; L973-V977 HydrophobicContact CD2-CG1 4.21Å; L973-R978 HydrophobicContact CB-CB 4.38Å; L973-R978 PolarHBondContact O-NH2 3.26Å; L973-L981 HydrophobicContact CD1-CD2 4.09Å
974S83.7Confident86.8Confident50 Ų5054 Ų5435%0.3527%0.272SS..  trans-54.6157.9164.772.90000111.2E913 M976 V977 R978E913-S974 WeakPolarHBondContact OE1-CA 3.39Å; E913-S974 WeakPolarHBondContact OE1-CB 3.3Å; E913-S974 PolarHBondContact OE1-N 2.89Å; E913-S974 PolarHBondContact OE1-OG 3.02Å; S974-M976 PolarHBondContact O-N 2.91Å; S974-V977 PolarHBondContact O-N 3.33Å; S974-V977 PolarHBondContact OG-N 3.4Å; S974-R978 VanDerWaalsContact O-CB 3.25Å; S974-R978 WeakPolarHBondContact O-CB 3.45Å; S974-R978 PolarHBondContact O-N 3.25Å
975A81.7Confident86.7Confident58 Ų5855.8 Ų55.848%0.47928%0.279SS..Hα-helixtrans-58.6-32.5-179.600000112.9S979A975-S979 WeakPolarHBondContact O-CB 3.41Å; A975-S979 PolarHBondContact O-N 3.41Å; A975-S979 VanDerWaalsContact O-N 3.13Å; A975-S979 PolarHBondContact O-OG 2.87Å
976M82.9Confident86.6Confident43 Ų4362.2 Ų62.221%0.21230%0.303CS..Hα-helixtrans-70.2-55.4-179.8-172-177.1-159.400111.2P838 C869 S974 R978 S979 L980P838-M976 HydrophobicContact CB-CE 4.48Å; C869-M976 HydrophobicContact CB-CE 3.55Å; S974-M976 PolarHBondContact O-N 2.91Å; M976-R978 VanDerWaalsContact C-N 3.27Å; M976-R978 PolarHBondContact O-N 3.37Å; M976-S979 PolarHBondContact O-N 3.22Å; M976-L980 PolarHBondContact O-N 3.12Å
977V88.9Confident86.7Confident4 Ų458.9 Ų58.92%0.02429%0.288CS..Hα-helixtrans-64.2-35.9-178.3-178.40000111.2E913 L916 H917 L920 L973 S974 L980 L981E913-V977 HydrophobicContact CG-CB 4.35Å; E913-V977 HydrophobicContact CG-CG1 4.47Å; E913-V977 HydrophobicContact CG-CG2 3.84Å; E913-V977 WeakPolarHBondContact OE1-CB 3.4Å; E913-V977 VanDerWaalsContact OE1-CG2 3.3Å; E913-V977 WeakPolarHBondContact OE1-CG2 3.46Å; L916-V977 HydrophobicContact CD2-CG1 4.1Å; L916-V977 HydrophobicContact CG-CG1 4.31Å; H917-V977 HydrophobicContact CB-CG2 3.91Å; L920-V977 HydrophobicContact CD1-CG1 3.93Å; L973-V977 HydrophobicContact CB-CB 4.5Å; L973-V977 HydrophobicContact CD1-CG1 4.23Å; L973-V977 HydrophobicContact CD2-CG1 4.21Å; S974-V977 PolarHBondContact O-N 3.33Å; S974-V977 PolarHBondContact OG-N 3.4Å; V977-L980 PolarHBondContact O-N 3.13Å; V977-L981 WeakPolarHBondContact O-CB 3.29Å; V977-L981 PolarHBondContact O-N 2.93Å
978R88.6Confident86.8Confident106 Ų10651.7 Ų51.740%0.426%0.261SS..Hα-helixtrans-59.3-45.4171.5176.6175.4-42.5169.38.7112.7V970 L973 S974 M976 L981 D982V970-R978 HydrophobicContact CG1-CB 4.32Å; V970-R978 HydrophobicContact CG1-CG 3.45Å; V970-R978 VanDerWaalsContact CG1-CG 3.45Å; V970-R978 VanDerWaalsContact CG1-NE 3.28Å; V970-R978 PolarHBondContact O-NE 3.19Å; V970-R978 PolarHBondContact O-NH2 3.41Å; V970-R978 VanDerWaalsContact O-NH2 3.17Å; L973-R978 HydrophobicContact CB-CB 4.38Å; L973-R978 PolarHBondContact O-NH2 3.26Å; S974-R978 VanDerWaalsContact O-CB 3.25Å; S974-R978 WeakPolarHBondContact O-CB 3.45Å; S974-R978 PolarHBondContact O-N 3.25Å; M976-R978 VanDerWaalsContact C-N 3.27Å; M976-R978 PolarHBondContact O-N 3.37Å; R978-L981 PolarHBondContact O-N 2.98Å; R978-D982 PolarHBondContact O-N 3.16Å; R978-D982 VanDerWaalsContact O-N 3.16Å
979S87.9Confident86.8Confident19 Ų1956.5 Ų56.513%0.13328%0.279CS..Hα-helixtrans-68.9-37179.8-58.20000111.1A868 A975 M976 W983A868-S979 WeakPolarHBondContact CB-O 3.36Å; A975-S979 WeakPolarHBondContact O-CB 3.41Å; A975-S979 PolarHBondContact O-N 3.41Å; A975-S979 VanDerWaalsContact O-N 3.13Å; A975-S979 PolarHBondContact O-OG 2.87Å; M976-S979 PolarHBondContact O-N 3.22Å; S979-W983 WeakPolarHBondContact O-CB 3.18Å; S979-W983 PolarHBondContact O-N 2.72Å
980L91.4Very high87.2Confident0 Ų051.5 Ų51.50%027%0.268CS..Hα-helixtrans-66.3-43.5174.1-176.662.8000112.1P870 L920 M976 V977 D982 W983 T984P870-L980 HydrophobicContact CB-CD1 4.38Å; L920-L980 HydrophobicContact CB-CD2 3.74Å; L920-L980 HydrophobicContact CB-CG 4.1Å; M976-L980 PolarHBondContact O-N 3.12Å; V977-L980 PolarHBondContact O-N 3.13Å; L980-D982 VanDerWaalsContact C-N 3.34Å; L980-D982 PolarHBondContact O-N 2.95Å; L980-W983 HydrophobicContact CD1-CE3 4.15Å; L980-W983 PolarHBondContact O-N 3.21Å; L980-T984 WeakPolarHBondContact O-CB 3.48Å; L980-T984 PolarHBondContact O-N 3.02Å; L980-T984 PolarHBondContact O-OG1 3.39Å
981L92.6Very high87.7Confident11 Ų1148.5 Ų48.56%0.05825%0.25CS..Hα-helixtrans-57.6-46.4176176.963.6000111.4L920 L965 I968 V970 L973 V977 R978 T984 F985L920-L981 HydrophobicContact CD1-CB 4Å; L920-L981 HydrophobicContact CD1-CD1 4.39Å; L920-L981 HydrophobicContact CD2-CD1 3.86Å; L965-L981 HydrophobicContact CB-CD1 4.09Å; L965-L981 HydrophobicContact CD2-CD1 3.89Å; I968-L981 HydrophobicContact CB-CD2 4.16Å; I968-L981 HydrophobicContact CD1-CD1 4.19Å; I968-L981 HydrophobicContact CG2-CD2 4.14Å; V970-L981 HydrophobicContact CG2-CD2 4.25Å; L973-L981 HydrophobicContact CD1-CD2 4.09Å; V977-L981 WeakPolarHBondContact O-CB 3.29Å; V977-L981 PolarHBondContact O-N 2.93Å; R978-L981 PolarHBondContact O-N 2.98Å; L981-T984 PolarHBondContact O-N 3.02Å; L981-F985 VanDerWaalsContact O-CB 3.25Å; L981-F985 WeakPolarHBondContact O-CB 3.44Å; L981-F985 PolarHBondContact O-N 3Å
982D89.4Confident88.2Confident59 Ų5947.1 Ų47.132%0.31623%0.228SC..Hα-helixtrans-63.6-41.7176178.945.1000111.9R978 L980 F985 R986R978-D982 PolarHBondContact O-N 3.16Å; R978-D982 VanDerWaalsContact O-N 3.16Å; L980-D982 VanDerWaalsContact C-N 3.34Å; L980-D982 PolarHBondContact O-N 2.95Å; D982-F985 PolarHBondContact O-N 3.42Å; D982-R986 VanDerWaalsContact O-CG 3.28Å; D982-R986 WeakPolarHBondContact O-CG 3.44Å; D982-R986 PolarHBondContact O-N 3.17Å; D982-R986 IonicContact OD1-CZ 2.99Å; D982-R986 IonicContact OD1-NE 3.26Å; D982-R986 PolarHBondContact OD1-NE 3.24Å; D982-R986 IonicContact OD1-NH2 2.86Å; D982-R986 PolarHBondContact OD1-NH2 3.45Å; D982-R986 IonicContact OD2-CZ 3.54Å; D982-R986 IonicContact OD2-NE 3.63Å; D982-R986 PolarHBondContact OD2-NE 2.77Å; D982-R986 IonicContact OD2-NH2 2.77Å; D982-R986 PolarHBondContact OD2-NH2 2.87Å
983W91.3Very high88.6Confident45 Ų4547 Ų4717%0.1723%0.229CC..Hα-helixtrans-61.2-50.1174.3178.691.6000112A868 P870 P871 S979 L980 F985 R986 M987A868-W983 HydrophobicContact CB-CB 3.98Å; P870-W983 HydrophobicContact CB-CD2 3.46Å; P870-W983 VanDerWaalsContact CB-CD2 3.46Å; P870-W983 HydrophobicContact CB-CE3 3.75Å; P870-W983 HydrophobicContact CB-CG 4.01Å; P870-W983 HydrophobicContact CB-CH2 3.94Å; P870-W983 HydrophobicContact CB-CZ2 3.63Å; P870-W983 HydrophobicContact CB-CZ3 3.99Å; P870-W983 HydrophobicContact CG-CD2 4.32Å; P870-W983 HydrophobicContact CG-CZ2 4.35Å; P871-W983 HydrophobicContact CG-CH2 4.27Å; P871-W983 HydrophobicContact CG-CZ3 4.24Å; S979-W983 WeakPolarHBondContact O-CB 3.18Å; S979-W983 PolarHBondContact O-N 2.72Å; L980-W983 HydrophobicContact CD1-CE3 4.15Å; L980-W983 PolarHBondContact O-N 3.21Å; W983-F985 VanDerWaalsContact C-N 3.27Å; W983-F985 PolarHBondContact O-N 3.47Å; W983-R986 PolarHBondContact O-N 3.42Å; W983-M987 HydrophobicContact CH2-CB 4.43Å; W983-M987 HydrophobicContact CH2-CG 4.2Å; W983-M987 HydrophobicContact CZ2-CB 4.47Å; W983-M987 HydrophobicContact CZ2-CG 4.31Å; W983-M987 WeakPolarHBondContact O-CB 3.49Å; W983-M987 PolarHBondContact O-N 3.36Å
984T92.6Very high88.6Confident0 Ų049.9 Ų49.90%024%0.239CC..Hα-helixtrans-59.5-42.4-179.2-61.20000110.6L920 V923 L927 L965 L980 L981 M987 L988L920-T984 HydrophobicContact CD2-CG2 4.32Å; V923-T984 HydrophobicContact CB-CG2 4.2Å; V923-T984 HydrophobicContact CG1-CG2 3.56Å; L927-T984 HydrophobicContact CD1-CG2 3.93Å; L965-T984 HydrophobicContact CD1-CG2 4.26Å; L980-T984 WeakPolarHBondContact O-CB 3.48Å; L980-T984 PolarHBondContact O-N 3.02Å; L980-T984 PolarHBondContact O-OG1 3.39Å; L981-T984 PolarHBondContact O-N 3.02Å; T984-M987 PolarHBondContact O-N 3.33Å; T984-L988 VanDerWaalsContact O-CB 3.31Å; T984-L988 WeakPolarHBondContact O-CB 3.25Å; T984-L988 PolarHBondContact O-N 3.05Å
985F90.1Very high88.6Confident37 Ų3749.6 Ų49.616%0.16223%0.231CC..Hα-helixtrans-65.4-43.4178.8-177.4-110.8000113.5T962 E966 L981 D982 W983 L988 R989T962-F985 HydrophobicContact CG2-CE2 4.13Å; E966-F985 HydrophobicContact CG-CD2 4.29Å; E966-F985 HydrophobicContact CG-CE2 3.28Å; E966-F985 HydrophobicContact CG-CZ 3.45Å; E966-F985 VanDerWaalsContact CG-CZ 3.45Å; E966-F985 WeakPolarHBondContact OE1-CE2 3.36Å; E966-F985 WeakPolarHBondContact OE1-CZ 3.26Å; L981-F985 VanDerWaalsContact O-CB 3.25Å; L981-F985 WeakPolarHBondContact O-CB 3.44Å; L981-F985 PolarHBondContact O-N 3Å; D982-F985 PolarHBondContact O-N 3.42Å; W983-F985 VanDerWaalsContact C-N 3.27Å; W983-F985 PolarHBondContact O-N 3.47Å; F985-L988 PolarHBondContact O-N 2.85Å; F985-R989 PolarHBondContact O-N 3.49Å; F985-R989 VanDerWaalsContact O-N 3.1Å
986R90.2Very high88.4Confident139 Ų13951 Ų5153%0.52523%0.231SC..Hα-helixtrans-64.6-41.3175.2-70174.5-164.4-160.22.9111.8D982 W983 R989 S990D982-R986 VanDerWaalsContact O-CG 3.28Å; D982-R986 WeakPolarHBondContact O-CG 3.44Å; D982-R986 PolarHBondContact O-N 3.17Å; D982-R986 IonicContact OD1-CZ 2.99Å; D982-R986 IonicContact OD1-NE 3.26Å; D982-R986 PolarHBondContact OD1-NE 3.24Å; D982-R986 IonicContact OD1-NH2 2.86Å; D982-R986 PolarHBondContact OD1-NH2 3.45Å; D982-R986 IonicContact OD2-CZ 3.54Å; D982-R986 IonicContact OD2-NE 3.63Å; D982-R986 PolarHBondContact OD2-NE 2.77Å; D982-R986 IonicContact OD2-NH2 2.77Å; D982-R986 PolarHBondContact OD2-NH2 2.87Å; W983-R986 PolarHBondContact O-N 3.42Å; R986-R989 PolarHBondContact O-N 3.28Å; R986-S990 WeakPolarHBondContact O-CB 3.36Å; R986-S990 PolarHBondContact O-N 2.86Å
987M90.3Very high88Confident33 Ų3350.1 Ų50.116%0.16323%0.23CC..Hα-helixtrans-64.2-43.3177.8-171.365.2167.300111.2L927 S931 W983 T984 S990 I991L927-M987 HydrophobicContact CB-CG 3.84Å; L927-M987 HydrophobicContact CD1-CB 4.12Å; L927-M987 HydrophobicContact CD1-CG 4.13Å; S931-M987 VanDerWaalsContact CB-CE 3.48Å; W983-M987 HydrophobicContact CH2-CB 4.43Å; W983-M987 HydrophobicContact CH2-CG 4.2Å; W983-M987 HydrophobicContact CZ2-CB 4.47Å; W983-M987 HydrophobicContact CZ2-CG 4.31Å; W983-M987 WeakPolarHBondContact O-CB 3.49Å; W983-M987 PolarHBondContact O-N 3.36Å; T984-M987 PolarHBondContact O-N 3.33Å; M987-S990 WeakPolarHBondContact O-CB 3.38Å; M987-S990 PolarHBondContact O-N 3.5Å; M987-I991 HydrophobicContact CE-CD1 4.36Å; M987-I991 HydrophobicContact CG-CD1 4.35Å; M987-I991 WeakPolarHBondContact O-CG1 3.23Å; M987-I991 PolarHBondContact O-N 3.12Å; M987-I991 VanDerWaalsContact O-N 3.07Å
988L91.7Very high87.1Confident3 Ų354.9 Ų54.92%0.01626%0.259CS..Hα-helixtrans-57.2-52.3175.4-179.764.3000111.5L927 T947 T962 L965 T984 F985 S990 I991 E992L927-L988 HydrophobicContact CD1-CB 4.1Å; L927-L988 HydrophobicContact CD2-CB 4.38Å; L927-L988 HydrophobicContact CD2-CD1 3.76Å; T947-L988 HydrophobicContact CG2-CD1 3.55Å; T962-L988 HydrophobicContact CG2-CD2 4.07Å; L965-L988 HydrophobicContact CD1-CD2 4.27Å; T984-L988 VanDerWaalsContact O-CB 3.31Å; T984-L988 WeakPolarHBondContact O-CB 3.25Å; T984-L988 PolarHBondContact O-N 3.05Å; F985-L988 PolarHBondContact O-N 2.85Å; L988-S990 VanDerWaalsContact C-N 3.32Å; L988-S990 PolarHBondContact O-N 3.5Å; L988-I991 PolarHBondContact O-N 2.9Å; L988-E992 WeakPolarHBondContact O-CG 3.46Å; L988-E992 PolarHBondContact O-N 3.27Å
989R90Very high86Confident111 Ų11156.9 Ų56.942%0.41928%0.277SS..Hα-helixtrans-62.2-37.1177.9-73.8-176.1173-168.3-3.3113E966 F985 R986 E992 Q993E966-R989 IonicContact OE1-CZ 3.47Å; E966-R989 IonicContact OE1-NH2 2.76Å; E966-R989 PolarHBondContact OE1-NH2 3.43Å; F985-R989 PolarHBondContact O-N 3.49Å; F985-R989 VanDerWaalsContact O-N 3.1Å; R986-R989 PolarHBondContact O-N 3.28Å; R989-E992 PolarHBondContact O-N 3.42Å; R989-Q993 WeakPolarHBondContact O-CB 3.35Å; R989-Q993 WeakPolarHBondContact O-CG 3.49Å; R989-Q993 PolarHBondContact O-N 3.24Å
990S90.1Very high85Confident52 Ų5263.1 Ų63.136%0.36430%0.302SS..Hα-helixtrans-62.1-43177179.20000111.8R986 M987 L988 Q993 R994R986-S990 WeakPolarHBondContact O-CB 3.36Å; R986-S990 PolarHBondContact O-N 2.86Å; M987-S990 WeakPolarHBondContact O-CB 3.38Å; M987-S990 PolarHBondContact O-N 3.5Å; L988-S990 VanDerWaalsContact C-N 3.32Å; L988-S990 PolarHBondContact O-N 3.5Å; S990-Q993 PolarHBondContact O-N 3.08Å; S990-R994 WeakPolarHBondContact O-CG 3.35Å; S990-R994 PolarHBondContact O-N 3.2Å
991I89.4Confident83.2Confident0 Ų066.3 Ų66.30%034%0.335CS..Hα-helixtrans-68.4-45177.5-69.3172.9000111.1L927 E930 L934 T947 M987 L988 Q993 R994 K995L927-I991 HydrophobicContact CB-CD1 3.8Å; L927-I991 HydrophobicContact CD2-CD1 3.84Å; L927-I991 HydrophobicContact CG-CD1 4.4Å; L927-I991 WeakPolarHBondContact O-CD1 3.37Å; E930-I991 HydrophobicContact CG-CG2 4.03Å; L934-I991 HydrophobicContact CD1-CG2 3.83Å; T947-I991 HydrophobicContact CG2-CB 4.39Å; T947-I991 HydrophobicContact CG2-CG2 3.74Å; M987-I991 HydrophobicContact CE-CD1 4.36Å; M987-I991 HydrophobicContact CG-CD1 4.35Å; M987-I991 WeakPolarHBondContact O-CG1 3.23Å; M987-I991 PolarHBondContact O-N 3.12Å; M987-I991 VanDerWaalsContact O-N 3.07Å; L988-I991 PolarHBondContact O-N 2.9Å; I991-Q993 VanDerWaalsContact C-N 3.31Å; I991-Q993 PolarHBondContact O-N 2.72Å; I991-R994 PolarHBondContact O-N 3.49Å; I991-K995 PolarHBondContact O-N 2.73Å
992E86.8Confident80.6Confident64 Ų6472.5 Ų72.530%0.29936%0.364SS..Hα-helixtrans-55.9-46174.8-71.8173164.200111.1T962 L988 R989 K995 D996T962-E992 PolarHBondContact OG1-OE1 3.24Å; L988-E992 WeakPolarHBondContact O-CG 3.46Å; L988-E992 PolarHBondContact O-N 3.27Å; R989-E992 PolarHBondContact O-N 3.42Å; E992-K995 PolarHBondContact O-N 2.87Å; E992-D996 PolarHBondContact O-N 2.84Å
993Q86.3Confident77.8Confident134 Ų13476.1 Ų76.163%0.62639%0.392SS*.Hα-helixtrans-62.8-42.6176.7-74.7172.11.300113.1R989 S990 I991 D996 A997R989-Q993 WeakPolarHBondContact O-CB 3.35Å; R989-Q993 WeakPolarHBondContact O-CG 3.49Å; R989-Q993 PolarHBondContact O-N 3.24Å; S990-Q993 PolarHBondContact O-N 3.08Å; I991-Q993 VanDerWaalsContact C-N 3.31Å; I991-Q993 PolarHBondContact O-N 2.72Å; Q993-D996 PolarHBondContact O-N 3.32Å; Q993-A997 WeakPolarHBondContact O-CB 3.31Å; Q993-A997 PolarHBondContact O-N 2.93Å
994R85.1Confident75.2Confident80 Ų8078.8 Ų78.830%0.30242%0.417SS..Hα-helixtrans-63.7-40.6176.5-77.4177.261.8178.75.2112S931 L934 S935 S990 I991 A997 T998S931-R994 PolarHBondContact OG-NH1 3.47Å; L934-R994 VanDerWaalsContact CB-NH2 3.26Å; L934-R994 HydrophobicContact CD1-CB 4.31Å; L934-R994 PolarHBondContact O-NH2 3.25Å; S935-R994 PolarHBondContact OG-NH1 3.47Å; S935-R994 PolarHBondContact OG-NH2 3.17Å; S990-R994 WeakPolarHBondContact O-CG 3.35Å; S990-R994 PolarHBondContact O-N 3.2Å; I991-R994 PolarHBondContact O-N 3.49Å; R994-A997 PolarHBondContact O-N 2.77Å; R994-T998 WeakPolarHBondContact O-CB 3.43Å; R994-T998 PolarHBondContact O-N 3.01Å; R994-T998 PolarHBondContact O-OG1 3.04Å
995K82.4Confident72.2Confident44 Ų4483.8 Ų83.819%0.19145%0.453CS..Hα-helixtrans-64.7-45.3175.1-78.2-171.9170.4-174.10111.8E930 L934 N945 T947 I991 E992 A997 T998 L999E930-K995 WeakPolarHBondContact OE1-CE 3.4Å; E930-K995 IonicContact OE1-NZ 2.92Å; E930-K995 PolarHBondContact OE1-NZ 2.88Å; L934-K995 HydrophobicContact CD1-CG 4.13Å; L934-K995 HydrophobicContact CD2-CG 4.12Å; N945-K995 PolarHBondContact OD1-NZ 2.87Å; T947-K995 PolarHBondContact OG1-NZ 3.44Å; I991-K995 PolarHBondContact O-N 2.73Å; E992-K995 PolarHBondContact O-N 2.87Å; K995-A997 VanDerWaalsContact C-N 3.33Å; K995-A997 PolarHBondContact O-N 2.63Å; K995-T998 WeakPolarHBondContact O-CB 3.31Å; K995-T998 PolarHBondContact O-N 3.44Å; K995-L999 WeakPolarHBondContact O-CG 3.25Å; K995-L999 PolarHBondContact O-N 3.39Å
996D78.2Confident69.4Low87 Ų8788.1 Ų88.147%0.46548%0.482SS..Hα-helixtrans-59.8-42.4175.6-82.2-9.1000112.1E992 Q993 T998 L999 K1000E992-D996 PolarHBondContact O-N 2.84Å; Q993-D996 PolarHBondContact O-N 3.32Å; D996-T998 VanDerWaalsContact C-N 3.34Å; D996-L999 PolarHBondContact O-N 2.95Å; D996-K1000 WeakPolarHBondContact O-CB 3.28Å; D996-K1000 VanDerWaalsContact O-CG 3.32Å; D996-K1000 WeakPolarHBondContact O-CG 3.39Å; D996-K1000 PolarHBondContact O-N 3.24Å
997A75.5Confident66.5Low24 Ų2487.2 Ų87.220%0.19850%0.495CS..Hα-helixtrans-63.1-40.7175.400000111.9Q993 R994 K995 K1000 G1001 E1002Q993-A997 WeakPolarHBondContact O-CB 3.31Å; Q993-A997 PolarHBondContact O-N 2.93Å; R994-A997 PolarHBondContact O-N 2.77Å; K995-A997 VanDerWaalsContact C-N 3.33Å; K995-A997 PolarHBondContact O-N 2.63Å; A997-K1000 PolarHBondContact O-N 3.42Å; A997-G1001 PolarHBondContact O-N 2.77Å; A997-E1002 PolarHBondContact O-N 3.49Å
998T69.8Low63.5Low104 Ų10492.3 Ų92.364%0.63853%0.527SS*.Hα-helixtrans-65.4-41.6176.7-48.50000111.5R994 K995 D996 G1001R994-T998 WeakPolarHBondContact O-CB 3.43Å; R994-T998 PolarHBondContact O-N 3.01Å; R994-T998 PolarHBondContact O-OG1 3.04Å; K995-T998 WeakPolarHBondContact O-CB 3.31Å; K995-T998 PolarHBondContact O-N 3.44Å; D996-T998 VanDerWaalsContact C-N 3.34Å; T998-G1001 PolarHBondContact O-N 3.12Å
999L64.5Low60.2Low148 Ų148101.1 Ų101.178%0.77557%0.568SS**Hα-helixtrans-67.4-33.1175.9-76.3163.9000113.1K995 D996 G1001K995-L999 WeakPolarHBondContact O-CG 3.25Å; K995-L999 PolarHBondContact O-N 3.39Å; D996-L999 PolarHBondContact O-N 2.95Å; L999-G1001 VanDerWaalsContact C-N 3.31Å
1000K68.5Low57.2Low150 Ų150100.6 Ų100.665%0.65258%0.581SS**THydrogen-bonded Turntrans-81.6-4.4177.5-72.2175.6-177173.30114D996 A997 E1002D996-K1000 WeakPolarHBondContact O-CB 3.28Å; D996-K1000 VanDerWaalsContact O-CG 3.32Å; D996-K1000 WeakPolarHBondContact O-CG 3.39Å; D996-K1000 PolarHBondContact O-N 3.24Å; A997-K1000 PolarHBondContact O-N 3.42Å; K1000-E1002 VanDerWaalsContact C-N 3.26Å; K1000-E1002 PolarHBondContact O-N 3.21Å
1001G52.4Low54.2Low68 Ų68103.6 Ų103.670%0.70160%0.602SS**THydrogen-bonded Turntrans68.719.5179.400000114.6A997 T998 L999A997-G1001 PolarHBondContact O-N 2.77Å; T998-G1001 PolarHBondContact O-N 3.12Å; L999-G1001 VanDerWaalsContact C-N 3.31Å
1002E38.5Very low51.1Low141 Ų141112.8 Ų112.866%0.65964%0.642SS**  trans-88.8119.1179.3-72.5-180173.800110.9A997 K1000 S1004A997-E1002 PolarHBondContact O-N 3.49Å; K1000-E1002 VanDerWaalsContact C-N 3.26Å; K1000-E1002 PolarHBondContact O-N 3.21Å; E1002-S1004 PolarHBondContact O-N 3.03Å
1003C30.6Very low48.3Very low134 Ų134117 Ų11791%0.90567%0.666SS**  trans-76.3103.5180-145.40000109.8
1004S37.1Very low45.5Very low101 Ų101117.8 Ų117.871%0.70668%0.675SS**  trans-9597.4174.752.30000110.9E1002E1002-S1004 PolarHBondContact O-N 3.03Å
1005S30Very low43Very low106 Ų106119 Ų11974%0.74169%0.687SS**  trans-96.396.6167.958.70000109.8
1006T30.3Very low40.9Very low127 Ų127122.4 Ų122.478%0.77972%0.716SS**  trans-131.5101.6159.946.30000108.8
1007P28.5Very low39.1Very low121 Ų121121.6 Ų121.679%0.78672%0.717SS**  trans-76.7129.2177.228.9-28.5000110E1009P1007-E1009 PolarHBondContact O-N 3.29Å
1008V28.2Very low37.5Very low139 Ų139128.8 Ų128.884%0.84275%0.746SS**  trans-73.3113.9170.8176.90000108S1010V1008-S1010 PolarHBondContact O-N 2.78Å; V1008-S1010 VanDerWaalsContact O-N 3.12Å
1009E23Very low36.2Very low188 Ų188131.6 Ų131.688%0.87975%0.752SS**  trans-57.7109.7176.9-70.1178.415500110.9P1007P1007-E1009 PolarHBondContact O-N 3.29Å
1010S26.2Very low35.2Very low100 Ų100125.3 Ų125.370%0.69972%0.724SS**  trans-98.699.6162.737.40000107.7V1008 K1012V1008-S1010 PolarHBondContact O-N 2.78Å; V1008-S1010 VanDerWaalsContact O-N 3.12Å; S1010-K1012 PolarHBondContact O-N 3.49Å
1011S26.7Very low34.3Very low115 Ų115123.8 Ų123.880%0.80472%0.719SS**  trans-65.490175.141.20000110.6L1013S1011-L1013 PolarHBondContact O-N 2.85Å
1012K24.7Very low34.4Very low193 Ų193124.4 Ų124.484%0.83971%0.713SS**  trans-78.8104.3166.1-74.9-177176.9178.90109S1010S1010-K1012 PolarHBondContact O-N 3.49Å
1013L27.1Very low35.3Very low152 Ų152120.3 Ų120.380%0.79670%0.703SS**  trans-88111163.6-87.1154000108.6S1011 L1015S1011-L1013 PolarHBondContact O-N 2.85Å; L1013-L1015 PolarHBondContact O-N 2.96Å
1014D29.3Very low36.5Very low151 Ų151121.5 Ų121.581%0.80769%0.688SS**  trans-69.7118.6173.2-97.8-30.2000110.6
1015L32.7Very low37.9Very low107 Ų107123.1 Ų123.156%0.5668%0.682SS**  trans-130.337.3-176.1-73.7170.4000112.4L1013L1013-L1015 PolarHBondContact O-N 2.96Å
1016S38.2Very low39.3Very low114 Ų114126.2 Ų126.280%0.79768%0.678SS**  trans-96.927.1-171.556.50000116
1017S39.6Very low40.8Very low70 Ų70126 Ų12649%0.4967%0.668SS.*SBendtrans-105.8147.6168.789.10000112.1E1019 G1020 E1021S1017-E1019 PolarHBondContact O-N 3.12Å; S1017-E1019 VanDerWaalsContact O-N 3.14Å; S1017-G1020 WeakPolarHBondContact O-CA 3.44Å; S1017-G1020 PolarHBondContact O-N 2.94Å; S1017-E1021 PolarHBondContact O-N 3.47Å
1018E42.6Very low42.5Very low175 Ų175124.2 Ų124.282%0.81866%0.658SS**Hα-helixtrans-56-28.2180-68.3-175.5148.600113.2G1020 E1021 S1022E1018-G1020 VanDerWaalsContact C-N 3.35Å; E1018-E1021 PolarHBondContact O-N 2.83Å; E1018-S1022 PolarHBondContact O-N 2.82Å
1019E41.8Very low43.9Very low163 Ų163127.3 Ų127.376%0.76265%0.654SS**Hα-helixtrans-66.5-36.1171.7-69.4-174.9152.400112.1S1017 E1021 S1022 A1023S1017-E1019 PolarHBondContact O-N 3.12Å; S1017-E1019 VanDerWaalsContact O-N 3.14Å; E1019-E1021 VanDerWaalsContact C-N 3.33Å; E1019-E1021 PolarHBondContact O-N 3.48Å; E1019-S1022 PolarHBondContact O-N 3.38Å; E1019-A1023 WeakPolarHBondContact O-CB 3.16Å; E1019-A1023 PolarHBondContact O-N 3.26Å
1020G43.9Very low45.8Very low17 Ų17123.3 Ų123.318%0.17564%0.636CS.*Hα-helixtrans-65.6-32.1174.900000113.3S1017 E1018 R1024S1017-G1020 WeakPolarHBondContact O-CA 3.44Å; S1017-G1020 PolarHBondContact O-N 2.94Å; E1018-G1020 VanDerWaalsContact C-N 3.35Å; G1020-R1024 WeakPolarHBondContact O-CB 3.19Å; G1020-R1024 PolarHBondContact O-N 3.11Å
1021E48.1Very low47.3Very low117 Ų117121.3 Ų121.355%0.54762%0.619SS.*Hα-helixtrans-73.2-39.3177.3-157.8-176.7171.800112S1017 E1018 E1019 R1024 K1025S1017-E1021 PolarHBondContact O-N 3.47Å; E1018-E1021 PolarHBondContact O-N 2.83Å; E1019-E1021 VanDerWaalsContact C-N 3.33Å; E1019-E1021 PolarHBondContact O-N 3.48Å; E1021-R1024 WeakPolarHBondContact O-CB 3.44Å; E1021-R1024 PolarHBondContact O-N 3.06Å; E1021-K1025 PolarHBondContact O-N 3.33Å
1022S55.9Low48.9Very low82 Ų82118 Ų11857%0.57360%0.598SS**Hα-helixtrans-69.7-40.1175-149.80000111.5E1018 E1019 R1024 K1025 R1026E1018-S1022 PolarHBondContact O-N 2.82Å; E1019-S1022 PolarHBondContact O-N 3.38Å; S1022-R1024 VanDerWaalsContact C-N 3.34Å; S1022-R1024 PolarHBondContact O-N 2.81Å; S1022-K1025 PolarHBondContact O-N 3.21Å; S1022-R1026 PolarHBondContact O-N 2.76Å
1023A56.3Low50.7Low54 Ų54113.7 Ų113.745%0.44658%0.584SS.*Hα-helixtrans-61-40.5169.600000111.6E1019 R1026 Q1027E1019-A1023 WeakPolarHBondContact O-CB 3.16Å; E1019-A1023 PolarHBondContact O-N 3.26Å; A1023-R1026 PolarHBondContact O-N 3.29Å; A1023-Q1027 WeakPolarHBondContact O-CB 3.45Å; A1023-Q1027 PolarHBondContact O-N 2.98Å
1024R56.9Low52.6Low160 Ų160110.9 Ų110.960%0.60457%0.57SS**Hα-helixtrans-61.8-42.9172.9-113.9179174.2175.4-1.2112.6G1020 E1021 S1022 C1028G1020-R1024 WeakPolarHBondContact O-CB 3.19Å; G1020-R1024 PolarHBondContact O-N 3.11Å; E1021-R1024 WeakPolarHBondContact O-CB 3.44Å; E1021-R1024 PolarHBondContact O-N 3.06Å; S1022-R1024 VanDerWaalsContact C-N 3.34Å; S1022-R1024 PolarHBondContact O-N 2.81Å; R1024-C1028 WeakPolarHBondContact O-CA 3.48Å; R1024-C1028 WeakPolarHBondContact O-CB 3.41Å; R1024-C1028 PolarHBondContact O-N 2.99Å
1025K64.9Low54.1Low134 Ų134110.4 Ų110.458%0.58356%0.56SS**Hα-helixtrans-65.3-40.6177-77.4177.1-176.71660111.5E1021 S1022 R1029E1021-K1025 PolarHBondContact O-N 3.33Å; S1022-K1025 PolarHBondContact O-N 3.21Å; K1025-R1029 WeakPolarHBondContact O-CG 3.4Å; K1025-R1029 PolarHBondContact O-N 3.37Å
1026R60.8Low55.2Low171 Ų171113.8 Ų113.865%0.64557%0.566SS**Hα-helixtrans-67.1-48.5175-174.5176.4177.8163.21.1111.6S1022 A1023 C1028 R1029 E1030S1022-R1026 PolarHBondContact O-N 2.76Å; A1023-R1026 PolarHBondContact O-N 3.29Å; R1026-C1028 VanDerWaalsContact C-N 3.32Å; R1026-C1028 PolarHBondContact O-N 3.48Å; R1026-R1029 WeakPolarHBondContact O-CB 3.38Å; R1026-R1029 PolarHBondContact O-N 3.22Å; R1026-E1030 IonicContact CZ-OE1 2.8Å; R1026-E1030 IonicContact NE-OE1 2.78Å; R1026-E1030 PolarHBondContact NE-OE1 3.03Å; R1026-E1030 IonicContact NH2-OE1 3.57Å; R1026-E1030 WeakPolarHBondContact O-CB 3.18Å; R1026-E1030 WeakPolarHBondContact O-CG 3.47Å; R1026-E1030 PolarHBondContact O-N 2.86Å
1027Q62.2Low56.4Low122 Ų122113.8 Ų113.857%0.5755%0.553SS**Hα-helixtrans-62.9-37.9176.8-168.9-179.81800111A1023 E1030 T1031A1023-Q1027 WeakPolarHBondContact O-CB 3.45Å; A1023-Q1027 PolarHBondContact O-N 2.98Å; Q1027-E1030 PolarHBondContact O-N 2.74Å; Q1027-T1031 WeakPolarHBondContact O-CA 3.47Å; Q1027-T1031 WeakPolarHBondContact O-CB 3.21Å; Q1027-T1031 PolarHBondContact O-N 3.28Å; Q1027-T1031 PolarHBondContact O-OG1 3.44Å
1028C62.8Low57.7Low85 Ų85115.4 Ų115.457%0.57456%0.555SS**Hα-helixtrans-66.5-40.2174.9-172.30000111.2R1024 R1026 A1032R1024-C1028 WeakPolarHBondContact O-CA 3.48Å; R1024-C1028 WeakPolarHBondContact O-CB 3.41Å; R1024-C1028 PolarHBondContact O-N 2.99Å; R1026-C1028 VanDerWaalsContact C-N 3.32Å; R1026-C1028 PolarHBondContact O-N 3.48Å; C1028-A1032 WeakPolarHBondContact O-CB 3.43Å; C1028-A1032 PolarHBondContact O-N 2.94Å
1029R58.1Low58.5Low204 Ų204109.2 Ų109.277%0.7754%0.535SS*.Hα-helixtrans-63.5-48.2171.7-78.4-179.1178.6-176.80.3112K1025 R1026 A1032 L1033K1025-R1029 WeakPolarHBondContact O-CG 3.4Å; K1025-R1029 PolarHBondContact O-N 3.37Å; R1026-R1029 WeakPolarHBondContact O-CB 3.38Å; R1026-R1029 PolarHBondContact O-N 3.22Å; R1029-A1032 PolarHBondContact O-N 3.39Å; R1029-L1033 VanDerWaalsContact O-CB 3.3Å; R1029-L1033 WeakPolarHBondContact O-CB 3.47Å; R1029-L1033 PolarHBondContact O-N 2.72Å
1030E62.9Low59.6Low104 Ų104108.2 Ų108.249%0.48653%0.531SS..Hα-helixtrans-65.6-38.4178.6-74.1173.6-172.900111.4R1026 Q1027 L1033 L1034R1026-E1030 IonicContact CZ-OE1 2.8Å; R1026-E1030 IonicContact NE-OE1 2.78Å; R1026-E1030 PolarHBondContact NE-OE1 3.03Å; R1026-E1030 IonicContact NH2-OE1 3.57Å; R1026-E1030 WeakPolarHBondContact O-CB 3.18Å; R1026-E1030 WeakPolarHBondContact O-CG 3.47Å; R1026-E1030 PolarHBondContact O-N 2.86Å; Q1027-E1030 PolarHBondContact O-N 2.74Å; E1030-L1033 PolarHBondContact O-N 2.66Å; E1030-L1034 WeakPolarHBondContact O-CB 3.39Å; E1030-L1034 PolarHBondContact O-N 3.37Å
1031T58.5Low60.4Low57 Ų57109.7 Ų109.735%0.3554%0.542SS..Hα-helixtrans-73.4-33.6176-51.50000111.3Q1027 K1035Q1027-T1031 WeakPolarHBondContact O-CA 3.47Å; Q1027-T1031 WeakPolarHBondContact O-CB 3.21Å; Q1027-T1031 PolarHBondContact O-N 3.28Å; Q1027-T1031 PolarHBondContact O-OG1 3.44Å; T1031-K1035 HydrophobicContact CG2-CD 4.47Å; T1031-K1035 HydrophobicContact CG2-CG 4.37Å; T1031-K1035 WeakPolarHBondContact O-CA 3.46Å; T1031-K1035 WeakPolarHBondContact O-CB 3.38Å; T1031-K1035 VanDerWaalsContact O-CG 3.24Å; T1031-K1035 WeakPolarHBondContact O-CG 3.35Å; T1031-K1035 PolarHBondContact O-N 2.89Å
1032A60.5Low60.8Low45 Ų45109 Ų10937%0.37254%0.539SS..Hα-helixtrans-69.6-36.4172.200000111C1028 R1029 R1036C1028-A1032 WeakPolarHBondContact O-CB 3.43Å; C1028-A1032 PolarHBondContact O-N 2.94Å; R1029-A1032 PolarHBondContact O-N 3.39Å; A1032-R1036 WeakPolarHBondContact O-CB 3.26Å; A1032-R1036 VanDerWaalsContact O-CG 3.28Å; A1032-R1036 WeakPolarHBondContact O-CG 3.21Å; A1032-R1036 PolarHBondContact O-N 2.8Å
1033L60.5Low61.1Low104 Ų104109.1 Ų109.155%0.54553%0.532SS..Hα-helixtrans-72.4-40.8175.7-148.7144.9000111R1029 E1030 R1036 Q1037R1029-L1033 VanDerWaalsContact O-CB 3.3Å; R1029-L1033 WeakPolarHBondContact O-CB 3.47Å; R1029-L1033 PolarHBondContact O-N 2.72Å; E1030-L1033 PolarHBondContact O-N 2.66Å; L1033-R1036 CarbonylContact O-C 3.55Å; L1033-R1036 WeakPolarHBondContact O-CB 3.05Å; L1033-R1036 PolarHBondContact O-N 2.83Å; L1033-Q1037 HydrophobicContact CD2-CG 4.49Å; L1033-Q1037 WeakPolarHBondContact O-CB 3.13Å; L1033-Q1037 WeakPolarHBondContact O-CG 3.29Å; L1033-Q1037 PolarHBondContact O-N 3.07Å
1034L68.9Low61.5Low93 Ų93112.5 Ų112.549%0.48754%0.536SS..Hα-helixtrans-67.1-39171.3-164.585.1000111.2E1030 R1036 Q1037 L1038E1030-L1034 WeakPolarHBondContact O-CB 3.39Å; E1030-L1034 PolarHBondContact O-N 3.37Å; L1034-R1036 VanDerWaalsContact C-N 3.34Å; L1034-Q1037 CarbonylContact O-C 3.53Å; L1034-Q1037 PolarHBondContact O-N 3.02Å; L1034-L1038 HydrophobicContact CD2-CD1 3.99Å; L1034-L1038 HydrophobicContact CG-CD1 3.98Å; L1034-L1038 HydrophobicContact CG-CG 4.34Å; L1034-L1038 WeakPolarHBondContact O-CA 3.43Å; L1034-L1038 WeakPolarHBondContact O-CB 3.21Å; L1034-L1038 VanDerWaalsContact O-CG 3.25Å; L1034-L1038 WeakPolarHBondContact O-CG 3.25Å; L1034-L1038 PolarHBondContact O-N 3.11Å
1035K58.9Low61.9Low140 Ų140110.8 Ų110.861%0.60954%0.535SS*.Hα-helixtrans-67.9-33.8172.4-84-176.8177.1-177.50111T1031 A1039T1031-K1035 HydrophobicContact CG2-CD 4.47Å; T1031-K1035 HydrophobicContact CG2-CG 4.37Å; T1031-K1035 WeakPolarHBondContact O-CA 3.46Å; T1031-K1035 WeakPolarHBondContact O-CB 3.38Å; T1031-K1035 VanDerWaalsContact O-CG 3.24Å; T1031-K1035 WeakPolarHBondContact O-CG 3.35Å; T1031-K1035 PolarHBondContact O-N 2.89Å; K1035-A1039 WeakPolarHBondContact O-CA 3.46Å; K1035-A1039 WeakPolarHBondContact O-CB 3.5Å; K1035-A1039 PolarHBondContact O-N 3.18Å
1036R56.3Low61.9Low179 Ų179108.6 Ų108.668%0.67553%0.528SS*.Hα-helixtrans-67.5-42.8170.1-80.5175.8179.9-177.90.2110.8A1032 L1033 L1034 A1039 M1040A1032-R1036 WeakPolarHBondContact O-CB 3.26Å; A1032-R1036 VanDerWaalsContact O-CG 3.28Å; A1032-R1036 WeakPolarHBondContact O-CG 3.21Å; A1032-R1036 PolarHBondContact O-N 2.8Å; L1033-R1036 CarbonylContact O-C 3.55Å; L1033-R1036 WeakPolarHBondContact O-CB 3.05Å; L1033-R1036 PolarHBondContact O-N 2.83Å; L1034-R1036 VanDerWaalsContact C-N 3.34Å; R1036-A1039 PolarHBondContact O-N 2.78Å; R1036-M1040 WeakPolarHBondContact O-CB 3.24Å; R1036-M1040 WeakPolarHBondContact O-CG 2.86Å; R1036-M1040 PolarHBondContact O-N 3.01Å
1037Q63.3Low62Low113 Ų113105.6 Ų105.653%0.52852%0.521SS..Hα-helixtrans-67.4-40.1175.8-77.7179-10.700112.3L1033 L1034 M1040 A1041L1033-Q1037 HydrophobicContact CD2-CG 4.49Å; L1033-Q1037 WeakPolarHBondContact O-CB 3.13Å; L1033-Q1037 WeakPolarHBondContact O-CG 3.29Å; L1033-Q1037 PolarHBondContact O-N 3.07Å; L1034-Q1037 CarbonylContact O-C 3.53Å; L1034-Q1037 PolarHBondContact O-N 3.02Å; Q1037-M1040 CarbonylContact O-C 3.58Å; Q1037-M1040 PolarHBondContact O-N 3.16Å; Q1037-A1041 WeakPolarHBondContact O-CA 3.34Å; Q1037-A1041 WeakPolarHBondContact O-CB 3.43Å; Q1037-A1041 PolarHBondContact O-N 3.09Å
1038L67.1Low62Low104 Ų104103.9 Ų103.955%0.54551%0.513SS..Hα-helixtrans-73.9-35.3175.4-76169.5000111.1L1034 A1041 H1042L1034-L1038 HydrophobicContact CD2-CD1 3.99Å; L1034-L1038 HydrophobicContact CG-CD1 3.98Å; L1034-L1038 HydrophobicContact CG-CG 4.34Å; L1034-L1038 WeakPolarHBondContact O-CA 3.43Å; L1034-L1038 WeakPolarHBondContact O-CB 3.21Å; L1034-L1038 VanDerWaalsContact O-CG 3.25Å; L1034-L1038 WeakPolarHBondContact O-CG 3.25Å; L1034-L1038 PolarHBondContact O-N 3.11Å; L1038-A1041 CarbonylContact O-C 3.53Å; L1038-A1041 PolarHBondContact O-N 3.08Å; L1038-H1042 WeakPolarHBondContact O-CA 3.09Å; L1038-H1042 WeakPolarHBondContact O-CB 3.34Å; L1038-H1042 PolarHBondContact O-N 3.26Å
1039A59.7Low62Low46 Ų46102.9 Ų102.938%0.3851%0.507SS..Hα-helixtrans-70.2-38.6171.800000110.2K1035 R1036 H1042 I1043K1035-A1039 WeakPolarHBondContact O-CA 3.46Å; K1035-A1039 WeakPolarHBondContact O-CB 3.5Å; K1035-A1039 PolarHBondContact O-N 3.18Å; R1036-A1039 PolarHBondContact O-N 2.78Å; A1039-H1042 PolarHBondContact O-N 2.69Å; A1039-I1043 WeakPolarHBondContact O-CA 3.49Å; A1039-I1043 WeakPolarHBondContact O-CB 3.32Å; A1039-I1043 WeakPolarHBondContact O-CD1 3.2Å; A1039-I1043 WeakPolarHBondContact O-CG1 3.45Å; A1039-I1043 PolarHBondContact O-N 3.12Å
1040M64.4Low62.3Low141 Ų14199 Ų9970%0.69550%0.496SS*.Hα-helixtrans-67-39.4171.2-77.7178.7152.700111.2R1036 Q1037 K1044R1036-M1040 WeakPolarHBondContact O-CB 3.24Å; R1036-M1040 WeakPolarHBondContact O-CG 2.86Å; R1036-M1040 PolarHBondContact O-N 3.01Å; Q1037-M1040 CarbonylContact O-C 3.58Å; Q1037-M1040 PolarHBondContact O-N 3.16Å; M1040-K1044 WeakPolarHBondContact O-CB 3.33Å; M1040-K1044 PolarHBondContact O-N 2.97Å
1041A62.2Low61.8Low48 Ų4898.8 Ų98.840%0.39750%0.496SS..Hα-helixtrans-71.3-34.5175.800000111.6Q1037 L1038 K1044 Q1045Q1037-A1041 WeakPolarHBondContact O-CA 3.34Å; Q1037-A1041 WeakPolarHBondContact O-CB 3.43Å; Q1037-A1041 PolarHBondContact O-N 3.09Å; L1038-A1041 CarbonylContact O-C 3.53Å; L1038-A1041 PolarHBondContact O-N 3.08Å; A1041-K1044 CarbonylContact O-C 3.55Å; A1041-K1044 PolarHBondContact O-N 2.85Å; A1041-Q1045 WeakPolarHBondContact O-CA 3.44Å; A1041-Q1045 WeakPolarHBondContact O-CB 3.26Å; A1041-Q1045 PolarHBondContact O-N 3.27Å
1042H55.4Low62.2Low103 Ų103101 Ų10148%0.47751%0.509SS..Hα-helixtrans-77.4-35.8176-176.3-109.6000110.8L1038 A1039 K1044 Q1045 M1046L1038-H1042 WeakPolarHBondContact O-CA 3.09Å; L1038-H1042 WeakPolarHBondContact O-CB 3.34Å; L1038-H1042 PolarHBondContact O-N 3.26Å; A1039-H1042 PolarHBondContact O-N 2.69Å; H1042-K1044 VanDerWaalsContact C-N 3.34Å; H1042-Q1045 PolarHBondContact O-N 3.46Å; H1042-M1046 PolarHBondContact CE1-SD 3.27Å; H1042-M1046 WeakPolarHBondContact ND1-CE 3.41Å; H1042-M1046 WeakPolarHBondContact O-CA 3.46Å; H1042-M1046 WeakPolarHBondContact O-CB 3.47Å; H1042-M1046 WeakPolarHBondContact O-CG 3.46Å; H1042-M1046 PolarHBondContact O-N 3.41Å
1043I62.4Low62.6Low85 Ų85107.7 Ų107.744%0.43653%0.53SS..Hα-helixtrans-64.3-43.8167.5-72.4163000108.8A1039 M1046 Q1047A1039-I1043 WeakPolarHBondContact O-CA 3.49Å; A1039-I1043 WeakPolarHBondContact O-CB 3.32Å; A1039-I1043 WeakPolarHBondContact O-CD1 3.2Å; A1039-I1043 WeakPolarHBondContact O-CG1 3.45Å; A1039-I1043 PolarHBondContact O-N 3.12Å; I1043-M1046 HydrophobicContact CG1-CE 4.15Å; I1043-M1046 PolarHBondContact O-N 3.11Å; I1043-Q1047 HydrophobicContact CG2-CG 4.38Å; I1043-Q1047 WeakPolarHBondContact O-CB 3.45Å; I1043-Q1047 WeakPolarHBondContact O-CG 3.17Å; I1043-Q1047 PolarHBondContact O-N 3.13Å
1044K65.8Low62.4Low124 Ų124104.8 Ų104.854%0.53952%0.515SS..Hα-helixtrans-64.3-41175.8-171.3-177.9179.9-169.20111.5M1040 A1041 H1042 Q1047 E1048M1040-K1044 WeakPolarHBondContact O-CB 3.33Å; M1040-K1044 PolarHBondContact O-N 2.97Å; A1041-K1044 CarbonylContact O-C 3.55Å; A1041-K1044 PolarHBondContact O-N 2.85Å; H1042-K1044 VanDerWaalsContact C-N 3.34Å; K1044-Q1047 CarbonylContact O-C 3.51Å; K1044-Q1047 WeakPolarHBondContact O-CB 3.42Å; K1044-Q1047 PolarHBondContact O-N 3.01Å; K1044-E1048 VanDerWaalsContact CE-OE1 3.29Å; K1044-E1048 WeakPolarHBondContact CE-OE1 3.45Å; K1044-E1048 WeakPolarHBondContact O-CB 3.4Å; K1044-E1048 VanDerWaalsContact O-CG 3.22Å; K1044-E1048 WeakPolarHBondContact O-CG 3.31Å; K1044-E1048 PolarHBondContact O-N 3.23Å
1045Q65Low61.5Low124 Ų124105.8 Ų105.858%0.57952%0.515SS*.Hα-helixtrans-76.2-31.9179.2-164.3178.429.800111.5A1041 H1042 S1049A1041-Q1045 WeakPolarHBondContact O-CA 3.44Å; A1041-Q1045 WeakPolarHBondContact O-CB 3.26Å; A1041-Q1045 PolarHBondContact O-N 3.27Å; H1042-Q1045 PolarHBondContact O-N 3.46Å; Q1045-S1049 WeakPolarHBondContact O-CA 3.19Å; Q1045-S1049 WeakPolarHBondContact O-CB 3.49Å; Q1045-S1049 PolarHBondContact O-N 3.02Å; Q1045-S1049 PolarHBondContact O-OG 3.38Å
1046M63.6Low61.5Low88 Ų88105.7 Ų105.743%0.43352%0.52SS..Hα-helixtrans-68.5-41.9168.6-81-170.4-6000110.1H1042 I1043 S1049 F1050H1042-M1046 PolarHBondContact CE1-SD 3.27Å; H1042-M1046 WeakPolarHBondContact ND1-CE 3.41Å; H1042-M1046 WeakPolarHBondContact O-CA 3.46Å; H1042-M1046 WeakPolarHBondContact O-CB 3.47Å; H1042-M1046 WeakPolarHBondContact O-CG 3.46Å; H1042-M1046 PolarHBondContact O-N 3.41Å; I1043-M1046 HydrophobicContact CG1-CE 4.15Å; I1043-M1046 PolarHBondContact O-N 3.11Å; M1046-S1049 WeakPolarHBondContact CA-OG 3.45Å; M1046-S1049 PolarHBondContact O-N 2.92Å; M1046-S1049 PolarHBondContact O-OG 2.92Å; M1046-F1050 WeakPolarHBondContact O-CA 3.43Å; M1046-F1050 WeakPolarHBondContact O-CB 3.31Å; M1046-F1050 PolarHBondContact O-N 3.4Å
1047Q62.9Low61.3Low108 Ų108103.1 Ų103.151%0.50552%0.516SS..Hα-helixtrans-61.1-46.1171.8-79.8175.4-24.500110.5I1043 K1044 F1050 Q1051I1043-Q1047 HydrophobicContact CG2-CG 4.38Å; I1043-Q1047 WeakPolarHBondContact O-CB 3.45Å; I1043-Q1047 WeakPolarHBondContact O-CG 3.17Å; I1043-Q1047 PolarHBondContact O-N 3.13Å; K1044-Q1047 CarbonylContact O-C 3.51Å; K1044-Q1047 WeakPolarHBondContact O-CB 3.42Å; K1044-Q1047 PolarHBondContact O-N 3.01Å; Q1047-F1050 PolarHBondContact O-N 3.31Å; Q1047-Q1051 VanDerWaalsContact O-CB 3.23Å; Q1047-Q1051 WeakPolarHBondContact O-CB 3.47Å; Q1047-Q1051 WeakPolarHBondContact O-CG 3.34Å; Q1047-Q1051 PolarHBondContact O-N 3.24Å
1048E62.4Low60.7Low86 Ų8699.6 Ų99.640%0.40250%0.501SS..Hα-helixtrans-63.5-42.3174.4-75.2168-172.600110.8K1044 F1050 Q1051 T1052K1044-E1048 VanDerWaalsContact CE-OE1 3.29Å; K1044-E1048 WeakPolarHBondContact CE-OE1 3.45Å; K1044-E1048 WeakPolarHBondContact O-CB 3.4Å; K1044-E1048 VanDerWaalsContact O-CG 3.22Å; K1044-E1048 WeakPolarHBondContact O-CG 3.31Å; K1044-E1048 PolarHBondContact O-N 3.23Å; E1048-F1050 PolarHBondContact O-N 3.45Å; E1048-Q1051 CarbonylContact O-C 3.57Å; E1048-Q1051 WeakPolarHBondContact O-CB 3.46Å; E1048-Q1051 PolarHBondContact O-N 2.93Å; E1048-T1052 WeakPolarHBondContact O-CB 3.46Å; E1048-T1052 PolarHBondContact O-N 3.44Å; E1048-T1052 PolarHBondContact O-OG1 2.95Å
1049S62.8Low59.8Low64 Ų6498.9 Ų98.945%0.44849%0.494SS..Hα-helixtrans-68.1-36.2177.782.80000111.9Q1045 M1046 T1052 K1053Q1045-S1049 WeakPolarHBondContact O-CA 3.19Å; Q1045-S1049 WeakPolarHBondContact O-CB 3.49Å; Q1045-S1049 PolarHBondContact O-N 3.02Å; Q1045-S1049 PolarHBondContact O-OG 3.38Å; M1046-S1049 WeakPolarHBondContact CA-OG 3.45Å; M1046-S1049 PolarHBondContact O-N 2.92Å; M1046-S1049 PolarHBondContact O-OG 2.92Å; S1049-T1052 PolarHBondContact O-N 2.74Å; S1049-K1053 WeakPolarHBondContact O-CB 3.36Å; S1049-K1053 PolarHBondContact O-N 3.47Å
1050F64.9Low58.9Low123 Ų123103.1 Ų103.154%0.53951%0.506SS..Hα-helixtrans-69.1-44.4174.9-179-92.5000109.8M1046 Q1047 E1048 T1052 K1053 N1054 L1058M1046-F1050 WeakPolarHBondContact O-CA 3.43Å; M1046-F1050 WeakPolarHBondContact O-CB 3.31Å; M1046-F1050 PolarHBondContact O-N 3.4Å; Q1047-F1050 PolarHBondContact O-N 3.31Å; E1048-F1050 PolarHBondContact O-N 3.45Å; F1050-T1052 VanDerWaalsContact C-N 3.28Å; F1050-T1052 PolarHBondContact O-N 3.47Å; F1050-K1053 PolarHBondContact O-N 3.48Å; F1050-N1054 WeakPolarHBondContact CD2-ND2 3.46Å; F1050-N1054 WeakPolarHBondContact CE2-ND2 3.45Å; F1050-N1054 VanDerWaalsContact CZ-ND2 3.31Å; F1050-N1054 WeakPolarHBondContact CZ-ND2 3.4Å; F1050-N1054 VanDerWaalsContact O-CB 3.27Å; F1050-N1054 WeakPolarHBondContact O-CB 3.34Å; F1050-N1054 PolarHBondContact O-N 3.32Å; F1050-N1054 PolarHBondContact O-ND2 3.08Å; F1050-L1058 HydrophobicContact CD1-CD1 3.73Å; F1050-L1058 HydrophobicContact CE1-CD1 3.41Å; F1050-L1058 VanDerWaalsContact CE1-CD1 3.41Å; F1050-L1058 HydrophobicContact CZ-CD1 4.46Å
1051Q53.1Low58Low100 Ų10099.7 Ų99.747%0.46749%0.493SS..Hα-helixtrans-59.6-36.9170.5-76.7172.6-0.900111.5Q1047 E1048 K1055 L1058Q1047-Q1051 VanDerWaalsContact O-CB 3.23Å; Q1047-Q1051 WeakPolarHBondContact O-CB 3.47Å; Q1047-Q1051 WeakPolarHBondContact O-CG 3.34Å; Q1047-Q1051 PolarHBondContact O-N 3.24Å; E1048-Q1051 CarbonylContact O-C 3.57Å; E1048-Q1051 WeakPolarHBondContact O-CB 3.46Å; E1048-Q1051 PolarHBondContact O-N 2.93Å; Q1051-K1055 WeakPolarHBondContact O-CA 3.44Å; Q1051-K1055 VanDerWaalsContact O-CB 3.23Å; Q1051-K1055 WeakPolarHBondContact O-CB 3.26Å; Q1051-K1055 PolarHBondContact O-N 3.49Å; Q1051-L1058 HydrophobicContact CG-CD2 3.93Å
1052T66Low57.1Low102 Ų102100.7 Ų100.763%0.62649%0.492SS*.Hα-helixtrans-78-41.3-179.8-43.80000111.8E1048 S1049 F1050 K1055E1048-T1052 WeakPolarHBondContact O-CB 3.46Å; E1048-T1052 PolarHBondContact O-N 3.44Å; E1048-T1052 PolarHBondContact O-OG1 2.95Å; S1049-T1052 PolarHBondContact O-N 2.74Å; F1050-T1052 VanDerWaalsContact C-N 3.28Å; F1050-T1052 PolarHBondContact O-N 3.47Å; T1052-K1055 WeakPolarHBondContact O-CB 3.39Å; T1052-K1055 PolarHBondContact O-N 2.84Å
1053K68.6Low56.3Low186 Ų186102.7 Ų102.781%0.80950%0.501SS*.Hα-helixtrans-68.7-42.5178.6-114179.5175.6177.50112S1049 F1050 K1055S1049-K1053 WeakPolarHBondContact O-CB 3.36Å; S1049-K1053 PolarHBondContact O-N 3.47Å; F1050-K1053 PolarHBondContact O-N 3.48Å; K1053-K1055 VanDerWaalsContact C-N 3.29Å
1054N56.7Low55Low43 Ų43104.2 Ų104.223%0.2351%0.509CS..THydrogen-bonded Turntrans-96.318.1180-56.6-40000110.8F1050 L1056 E1057 L1058F1050-N1054 WeakPolarHBondContact CD2-ND2 3.46Å; F1050-N1054 WeakPolarHBondContact CE2-ND2 3.45Å; F1050-N1054 VanDerWaalsContact CZ-ND2 3.31Å; F1050-N1054 WeakPolarHBondContact CZ-ND2 3.4Å; F1050-N1054 VanDerWaalsContact O-CB 3.27Å; F1050-N1054 WeakPolarHBondContact O-CB 3.34Å; F1050-N1054 PolarHBondContact O-N 3.32Å; F1050-N1054 PolarHBondContact O-ND2 3.08Å; N1054-L1056 PolarHBondContact O-N 3.36Å; N1054-E1057 CarbonylContact O-C 3.49Å; N1054-E1057 PolarHBondContact O-N 3.15Å; N1054-L1058 HydrophobicContact CB-CB 4.45Å; N1054-L1058 HydrophobicContact CB-CD1 4.21Å; N1054-L1058 VanDerWaalsContact O-CB 3.23Å; N1054-L1058 WeakPolarHBondContact O-CB 3.26Å; N1054-L1058 PolarHBondContact O-N 3.5Å
1055K51Low53.5Low115 Ų115102.8 Ų102.850%0.551%0.507SS..Hα-helixtrans-49-41.4-170.1-173.3176.1173.1-177.60113.8Q1051 T1052 K1053 E1059Q1051-K1055 WeakPolarHBondContact O-CA 3.44Å; Q1051-K1055 VanDerWaalsContact O-CB 3.23Å; Q1051-K1055 WeakPolarHBondContact O-CB 3.26Å; Q1051-K1055 PolarHBondContact O-N 3.49Å; T1052-K1055 WeakPolarHBondContact O-CB 3.39Å; T1052-K1055 PolarHBondContact O-N 2.84Å; K1053-K1055 VanDerWaalsContact C-N 3.29Å; K1055-E1059 WeakPolarHBondContact CE-OE1 3.43Å; K1055-E1059 HydrophobicContact CG-CG 4.35Å; K1055-E1059 WeakPolarHBondContact CG-OE1 3.37Å; K1055-E1059 IonicContact NZ-OE1 2.78Å; K1055-E1059 WeakPolarHBondContact O-CA 3.26Å; K1055-E1059 WeakPolarHBondContact O-CB 3.47Å; K1055-E1059 WeakPolarHBondContact O-CG 3.34Å; K1055-E1059 PolarHBondContact O-N 3.45Å
1056L58.7Low51.9Low137 Ų137103.1 Ų103.172%0.71751%0.509SS*.Hα-helixtrans-73.1-46177.2-72.8166.2000112.9N1054 L1058 E1059 E1060N1054-L1056 PolarHBondContact O-N 3.36Å; L1056-L1058 VanDerWaalsContact C-N 3.29Å; L1056-L1058 PolarHBondContact O-N 3.3Å; L1056-E1059 PolarHBondContact O-N 3.09Å; L1056-E1060 WeakPolarHBondContact O-CB 3.39Å; L1056-E1060 PolarHBondContact O-N 3.35Å
1057E51.9Low50.3Low126 Ų126101 Ų10159%0.58951%0.51SS*.Hα-helixtrans-66.6-33.2176.9-72.6-179.5171.700111.7N1054 T1061N1054-E1057 CarbonylContact O-C 3.49Å; N1054-E1057 PolarHBondContact O-N 3.15Å; E1057-T1061 VanDerWaalsContact O-CB 3.23Å; E1057-T1061 WeakPolarHBondContact O-CB 3.48Å; E1057-T1061 PolarHBondContact O-N 3.28Å; E1057-T1061 PolarHBondContact O-OG1 3.03Å
1058L50.8Low48.7Very low38 Ų38101.3 Ų101.320%0.19951%0.514CS..Hα-helixtrans-83.5-28.9178.4-136.7122.7000111F1050 Q1051 N1054 L1056 I1062F1050-L1058 HydrophobicContact CD1-CD1 3.73Å; F1050-L1058 HydrophobicContact CE1-CD1 3.41Å; F1050-L1058 VanDerWaalsContact CE1-CD1 3.41Å; F1050-L1058 HydrophobicContact CZ-CD1 4.46Å; Q1051-L1058 HydrophobicContact CG-CD2 3.93Å; N1054-L1058 HydrophobicContact CB-CB 4.45Å; N1054-L1058 HydrophobicContact CB-CD1 4.21Å; N1054-L1058 VanDerWaalsContact O-CB 3.23Å; N1054-L1058 WeakPolarHBondContact O-CB 3.26Å; N1054-L1058 PolarHBondContact O-N 3.5Å; L1056-L1058 VanDerWaalsContact C-N 3.29Å; L1056-L1058 PolarHBondContact O-N 3.3Å; L1058-I1062 HydrophobicContact CD2-CD1 3.62Å; L1058-I1062 HydrophobicContact CD2-CG1 4.15Å; L1058-I1062 WeakPolarHBondContact O-CA 3.2Å; L1058-I1062 WeakPolarHBondContact O-CB 3.43Å; L1058-I1062 WeakPolarHBondContact O-CD1 3.37Å; L1058-I1062 WeakPolarHBondContact O-CG1 3.37Å; L1058-I1062 PolarHBondContact O-N 2.82Å
1059E46.7Very low47.3Very low89 Ų89100 Ų10042%0.41651%0.514SS..Hα-helixtrans-70.1-37.5166.1-81.5169.7178.700110.4K1055 L1056 H1063K1055-E1059 WeakPolarHBondContact CE-OE1 3.43Å; K1055-E1059 HydrophobicContact CG-CG 4.35Å; K1055-E1059 WeakPolarHBondContact CG-OE1 3.37Å; K1055-E1059 IonicContact NZ-OE1 2.78Å; K1055-E1059 WeakPolarHBondContact O-CA 3.26Å; K1055-E1059 WeakPolarHBondContact O-CB 3.47Å; K1055-E1059 WeakPolarHBondContact O-CG 3.34Å; K1055-E1059 PolarHBondContact O-N 3.45Å; L1056-E1059 PolarHBondContact O-N 3.09Å; E1059-H1063 WeakPolarHBondContact O-CB 3.15Å; E1059-H1063 PolarHBondContact O-N 2.96Å
1060E42.7Very low46.1Very low135 Ų135101 Ų10163%0.63151%0.509SS*.Hα-helixtrans-65.3-46.6169-92.3-175.8156.800111.1L1056 H1063 L1064L1056-E1060 WeakPolarHBondContact O-CB 3.39Å; L1056-E1060 PolarHBondContact O-N 3.35Å; E1060-H1063 PolarHBondContact O-N 3.05Å; E1060-L1064 VanDerWaalsContact O-CB 3.29Å; E1060-L1064 WeakPolarHBondContact O-CB 3.48Å; E1060-L1064 WeakPolarHBondContact O-CD1 3.33Å; E1060-L1064 PolarHBondContact O-N 3.12Å
1061T43.7Very low45Very low69 Ų6996.3 Ų96.342%0.42350%0.496SS..Hα-helixtrans-71-33.2179.4-48.50000111.1E1057 L1064 L1065E1057-T1061 VanDerWaalsContact O-CB 3.23Å; E1057-T1061 WeakPolarHBondContact O-CB 3.48Å; E1057-T1061 PolarHBondContact O-N 3.28Å; E1057-T1061 PolarHBondContact O-OG1 3.03Å; T1061-L1064 CarbonylContact O-C 3.47Å; T1061-L1064 PolarHBondContact O-N 3.47Å; T1061-L1065 HydrophobicContact CG2-CD1 3.72Å; T1061-L1065 HydrophobicContact CG2-CG 4.04Å; T1061-L1065 WeakPolarHBondContact O-CA 2.82Å; T1061-L1065 WeakPolarHBondContact O-CB 3.36Å; T1061-L1065 WeakPolarHBondContact O-CD1 3.46Å; T1061-L1065 WeakPolarHBondContact O-CG 3.33Å; T1061-L1065 PolarHBondContact O-N 3.13Å
1062I43.5Very low44.4Very low70 Ų7094.1 Ų94.136%0.35949%0.489SS..Hα-helixtrans-71.9-41.1171.3-73.9170.6000109.2L1058 L1064 L1065 E1066L1058-I1062 HydrophobicContact CD2-CD1 3.62Å; L1058-I1062 HydrophobicContact CD2-CG1 4.15Å; L1058-I1062 WeakPolarHBondContact O-CA 3.2Å; L1058-I1062 WeakPolarHBondContact O-CB 3.43Å; L1058-I1062 WeakPolarHBondContact O-CD1 3.37Å; L1058-I1062 WeakPolarHBondContact O-CG1 3.37Å; L1058-I1062 PolarHBondContact O-N 2.82Å; I1062-L1064 VanDerWaalsContact C-N 3.26Å; I1062-L1064 PolarHBondContact O-N 3.02Å; I1062-L1065 CarbonylContact O-C 3.56Å; I1062-L1065 PolarHBondContact O-N 2.73Å; I1062-E1066 HydrophobicContact CG2-CG 3.76Å; I1062-E1066 WeakPolarHBondContact CG2-OE1 3.39Å; I1062-E1066 WeakPolarHBondContact O-CA 3.45Å; I1062-E1066 WeakPolarHBondContact O-CB 3.22Å; I1062-E1066 WeakPolarHBondContact O-CG 3.38Å; I1062-E1066 PolarHBondContact O-N 3.09Å
1063H39Very low43.4Very low145 Ų14589.9 Ų89.967%0.67146%0.462SS*.Hα-helixtrans-62.2-35.8171.7-105.4-69.6000111.7E1059 E1060 G1067E1059-H1063 WeakPolarHBondContact O-CB 3.15Å; E1059-H1063 PolarHBondContact O-N 2.96Å; E1060-H1063 PolarHBondContact O-N 3.05Å; H1063-G1067 PolarHBondContact O-N 3.22Å
1064L35.5Very low42.5Very low116 Ų11682.9 Ų82.961%0.60744%0.435SS*.Hα-helixtrans-70.6-39.5171.7-99.4127.6000112.1E1060 T1061 I1062 G1067 L1068E1060-L1064 VanDerWaalsContact O-CB 3.29Å; E1060-L1064 WeakPolarHBondContact O-CB 3.48Å; E1060-L1064 WeakPolarHBondContact O-CD1 3.33Å; E1060-L1064 PolarHBondContact O-N 3.12Å; T1061-L1064 CarbonylContact O-C 3.47Å; T1061-L1064 PolarHBondContact O-N 3.47Å; I1062-L1064 VanDerWaalsContact C-N 3.26Å; I1062-L1064 PolarHBondContact O-N 3.02Å; L1064-G1067 CarbonylContact O-C 3.6Å; L1064-G1067 WeakPolarHBondContact O-CA 3.47Å; L1064-G1067 PolarHBondContact O-N 3.26Å; L1064-L1068 WeakPolarHBondContact O-CD1 3.03Å; L1064-L1068 VanDerWaalsContact O-CG 3.26Å; L1064-L1068 WeakPolarHBondContact O-CG 3.24Å; L1064-L1068 PolarHBondContact O-N 3.38Å; L1064-L1068 VanDerWaalsContact O-N 3.15Å
1065L33.8Very low42.3Very low94 Ų9481.8 Ų81.849%0.49243%0.428SS..Hα-helixtrans-83-30.7-176.5-75.7170.2000113.1T1061 I1062 G1067 L1068 S1069T1061-L1065 HydrophobicContact CG2-CD1 3.72Å; T1061-L1065 HydrophobicContact CG2-CG 4.04Å; T1061-L1065 WeakPolarHBondContact O-CA 2.82Å; T1061-L1065 WeakPolarHBondContact O-CB 3.36Å; T1061-L1065 WeakPolarHBondContact O-CD1 3.46Å; T1061-L1065 WeakPolarHBondContact O-CG 3.33Å; T1061-L1065 PolarHBondContact O-N 3.13Å; I1062-L1065 CarbonylContact O-C 3.56Å; I1062-L1065 PolarHBondContact O-N 2.73Å; L1065-G1067 PolarHBondContact O-N 3.1Å; L1065-L1068 HydrophobicContact CD2-CB 4.39Å; L1065-L1068 HydrophobicContact CD2-CD1 3.99Å; L1065-L1068 CarbonylContact O-C 3.54Å; L1065-L1068 PolarHBondContact O-N 3.06Å; L1065-S1069 WeakPolarHBondContact O-CB 3.05Å; L1065-S1069 PolarHBondContact O-N 2.83Å
1066E31.9Very low42.4Very low132 Ų13282.6 Ų82.662%0.61743%0.433SS*.Hα-helixtrans-62.2-26.4165.1-75.6178.4170.800109.9I1062I1062-E1066 HydrophobicContact CG2-CG 3.76Å; I1062-E1066 WeakPolarHBondContact CG2-OE1 3.39Å; I1062-E1066 WeakPolarHBondContact O-CA 3.45Å; I1062-E1066 WeakPolarHBondContact O-CB 3.22Å; I1062-E1066 WeakPolarHBondContact O-CG 3.38Å; I1062-E1066 PolarHBondContact O-N 3.09Å
1067G29.3Very low42.4Very low44 Ų4478 Ų7845%0.45441%0.411SS..THydrogen-bonded Turntrans-78.5-22.8166.700000115.2H1063 L1064 L1065H1063-G1067 PolarHBondContact O-N 3.22Å; L1064-G1067 CarbonylContact O-C 3.6Å; L1064-G1067 WeakPolarHBondContact O-CA 3.47Å; L1064-G1067 PolarHBondContact O-N 3.26Å; L1065-G1067 PolarHBondContact O-N 3.1Å
1068L29.1Very low42.4Very low114 Ų11476.9 Ų76.960%0.59740%0.404SS*.THydrogen-bonded Turntrans-102.3-10.6-175.9-69162.2000114.3L1064 L1065 Y1070L1064-L1068 WeakPolarHBondContact O-CD1 3.03Å; L1064-L1068 VanDerWaalsContact O-CG 3.26Å; L1064-L1068 WeakPolarHBondContact O-CG 3.24Å; L1064-L1068 PolarHBondContact O-N 3.38Å; L1064-L1068 VanDerWaalsContact O-N 3.15Å; L1065-L1068 HydrophobicContact CD2-CB 4.39Å; L1065-L1068 HydrophobicContact CD2-CD1 3.99Å; L1065-L1068 CarbonylContact O-C 3.54Å; L1065-L1068 PolarHBondContact O-N 3.06Å; L1068-Y1070 PolarHBondContact O-N 3.34Å
1069S33.3Very low42.5Very low59 Ų5983.6 Ų83.641%0.41343%0.434SS..SBendtrans-75.2-4-172.969.90000114.3L1065L1065-S1069 WeakPolarHBondContact O-CB 3.05Å; L1065-S1069 PolarHBondContact O-N 2.83Å
1070Y37.3Very low42.9Very low83 Ų8383.5 Ų83.533%0.32543%0.434SS..SBendtrans-144.1146.5176.5-59.5-78.3000107.2L1068 T1072 F1410 K1600L1068-Y1070 PolarHBondContact O-N 3.34Å; Y1070-T1072 PolarHBondContact O-N 3.07Å; Y1070-F1410 HydrophobicContact CD1-CB 4.27Å; Y1070-K1600 HydrophobicContact CE1-CD 4.22Å
1071G42.1Very low43.9Very low26 Ų2686.5 Ų86.527%0.26845%0.448SS..  trans-47.6134.5171.400000109.3E1073G1071-E1073 PolarHBondContact O-N 3.14Å
1072T40.5Very low45.7Very low54 Ų5484.5 Ų84.533%0.33143%0.433SS..THydrogen-bonded Turntrans-59.616.5-174.832.80000114.9Y1070 F1096Y1070-T1072 PolarHBondContact O-N 3.07Å; T1072-F1096 VanDerWaalsContact O-CE1 3.24Å; T1072-F1096 WeakPolarHBondContact O-CE1 3.21Å
1073E45.8Very low47.6Very low13 Ų1381.6 Ų81.66%0.06142%0.42CS..THydrogen-bonded Turntrans-122.54.6-166.2-56.4-176.8137.200113.9G1071 R1075 T1416 R1420 L1592G1071-E1073 PolarHBondContact O-N 3.14Å; E1073-R1075 PolarHBondContact O-N 3.06Å; E1073-T1416 WeakPolarHBondContact OE2-CB 3.47Å; E1073-T1416 PolarHBondContact OE2-OG1 2.66Å; E1073-R1420 VanDerWaalsContact CD-NH2 3.3Å; E1073-R1420 IonicContact OE1-CZ 3.07Å; E1073-R1420 VanDerWaalsContact OE1-CZ 3.26Å; E1073-R1420 IonicContact OE1-NH1 3.04Å; E1073-R1420 PolarHBondContact OE1-NH1 3.41Å; E1073-R1420 IonicContact OE1-NH2 3.83Å; E1073-R1420 PolarHBondContact OE1-NH2 3.3Å; E1073-R1420 IonicContact OE2-CZ 2.67Å; E1073-R1420 IonicContact OE2-NH1 3.4Å; E1073-R1420 IonicContact OE2-NH2 3.85Å; E1073-R1420 PolarHBondContact OE2-NH2 2.87Å; E1073-L1592 HydrophobicContact CB-CD1 4.18Å
1074T48.7Very low49.8Very low39 Ų3975.5 Ų75.524%0.23939%0.393CS..PPolyproline II helixtrans-72.6126.9-179.756.50000111.9F1096T1074-F1096 WeakPolarHBondContact O-CD2 3.35Å
1075R52.5Low52.2Low20 Ų2070 Ų708%0.07536%0.364CS..PPolyproline II helixtrans-80.9156.4179.4-48.1-174.9-171152.820.9112.4E1073 T1093 W1225 T1591 P1594E1073-R1075 PolarHBondContact O-N 3.06Å; R1075-T1093 VanDerWaalsContact CB-CB 3.5Å; R1075-T1093 HydrophobicContact CB-CG2 3.72Å; R1075-T1093 WeakPolarHBondContact CD-OG1 3.25Å; R1075-T1093 HydrophobicContact CG-CG2 4.37Å; R1075-T1093 PolarHBondContact NH1-OG1 3.44Å; R1075-W1225 VanDerWaalsContact CZ-CD2 3.41Å; R1075-W1225 VanDerWaalsContact NH2-CG 3.33Å; R1075-T1591 PolarHBondContact NH2-O 3.3Å; R1075-P1594 WeakPolarHBondContact O-CD 3.4Å; R1075-P1594 WeakPolarHBondContact O-CG 3.41Å
1076Q54.3Low54.8Low132 Ų13265.6 Ų65.662%0.61734%0.341SS*.EExtended strand (participates in β ladder)trans-88.2130.1169.5-71.4-178.1-1.300110.9T1093 L1094Q1076-T1093 CarbonylContact O-C 3.59Å; Q1076-T1093 VanDerWaalsContact O-CA 3.25Å; Q1076-T1093 WeakPolarHBondContact O-CA 3.1Å; Q1076-L1094 PolarHBondContact O-N 3.01Å
1077V57.4Low57.3Low40 Ų4059.4 Ų59.424%0.24231%0.313CS..EExtended strand (participates in β ladder)trans-75.6127175.21750000109.6Q1080 A1083 P1594V1077-Q1080 HydrophobicContact CG1-CB 4.03Å; V1077-A1083 HydrophobicContact CG2-CB 4Å; V1077-P1594 HydrophobicContact CG2-CG 3.7Å
1078K51.7Low59.4Low103 Ų10361.9 Ų61.945%0.44832%0.321SS..PPolyproline II helixtrans-84.1119.9175.1-165.9179.3179.6-176.60110Q1080 I1092 L1094K1078-Q1080 PolarHBondContact O-N 3.19Å; K1078-Q1080 VanDerWaalsContact O-N 3.14Å; K1078-I1092 PolarHBondContact N-O 3.19Å; K1078-L1094 HydrophobicContact CD-CD2 4.36Å
1079E53.2Low61.7Low179 Ų17964.1 Ų64.184%0.83633%0.326SS*.SBendtrans59.221.2161.5-67.9171.3-175.600118.3
1080Q55.1Low64Low87 Ų8763.1 Ų63.141%0.40732%0.315SS..  trans-117.8138.3173.5-71.1-178.2-15.300112.7V1077 K1078 F1082 S1091V1077-Q1080 HydrophobicContact CG1-CB 4.03Å; K1078-Q1080 PolarHBondContact O-N 3.19Å; K1078-Q1080 VanDerWaalsContact O-N 3.14Å; Q1080-F1082 VanDerWaalsContact C-N 3.28Å; Q1080-F1082 PolarHBondContact O-N 3.2Å; Q1080-S1091 PolarHBondContact OE1-OG 3.15Å
1081E65.2Low65.9Low197 Ų19759.4 Ų59.492%0.92130%0.301SS*.SBendtrans-65.8-23.3178.9-69.7-177.2164.900114.1
1082F80.4Confident67.1Low27 Ų2763.5 Ų63.512%0.11832%0.315CS..SBendtrans-147.5129.4-178.5-167.9-82.7000110.6Q1080 P1596 L1610 R1613Q1080-F1082 VanDerWaalsContact C-N 3.28Å; Q1080-F1082 PolarHBondContact O-N 3.2Å; F1082-P1596 HydrophobicContact CD1-CG 4.1Å; F1082-P1596 HydrophobicContact CD2-CB 4.27Å; F1082-P1596 HydrophobicContact CD2-CG 4.1Å; F1082-P1596 HydrophobicContact CE1-CG 3.61Å; F1082-P1596 HydrophobicContact CE2-CB 3.84Å; F1082-P1596 HydrophobicContact CE2-CG 3.64Å; F1082-P1596 HydrophobicContact CG-CG 4.32Å; F1082-P1596 HydrophobicContact CZ-CB 4.07Å; F1082-P1596 HydrophobicContact CZ-CG 3.4Å; F1082-L1610 HydrophobicContact CE2-CD2 3.9Å; F1082-L1610 HydrophobicContact CZ-CD2 4.19Å; F1082-R1613 VanDerWaalsContact CB-NH2 3.32Å; F1082-R1613 HydrophobicContact CD1-CB 4.28Å; F1082-R1613 HydrophobicContact CD1-CG 3.56Å; F1082-R1613 HydrophobicContact CE1-CB 3.6Å; F1082-R1613 HydrophobicContact CE1-CG 3.41Å; F1082-R1613 VanDerWaalsContact CE1-CG 3.41Å; F1082-R1613 HydrophobicContact CG-CG 4.25Å; F1082-R1613 VanDerWaalsContact CG-NE 3.29Å; F1082-R1613 HydrophobicContact CZ-CB 3.88Å; F1082-R1613 HydrophobicContact CZ-CG 3.96Å
1083A83.2Confident68.2Low10 Ų1061.9 Ų61.98%0.08331%0.305CS..  trans-71.6136.5-177.900000112.2V1077 S1091 I1593 P1594 P1596 Y1614V1077-A1083 HydrophobicContact CG2-CB 4Å; A1083-S1091 WeakPolarHBondContact CA-OG 3.49Å; A1083-I1593 HydrophobicContact CB-CG2 4.12Å; A1083-P1594 VanDerWaalsContact CB-O 3.28Å; A1083-P1594 WeakPolarHBondContact CB-O 3.38Å; A1083-P1596 HydrophobicContact CB-CG 4.39Å; A1083-Y1614 WeakPolarHBondContact O-CD2 3.43Å
1084V86.2Confident68.9Low17 Ų1765 Ų6510%0.10332%0.322CS..  trans-124121.9176.4179.10000108.6K1089 Q1090 S1091 Y1614V1084-K1089 WeakPolarHBondContact CB-O 3.42Å; V1084-Q1090 CarbonylContact O-C 3.48Å; V1084-Q1090 WeakPolarHBondContact O-CA 3.5Å; V1084-S1091 PolarHBondContact N-OG 2.97Å; V1084-S1091 PolarHBondContact O-N 3.22Å; V1084-Y1614 CarbonylContact C-O 3.5Å; V1084-Y1614 WeakPolarHBondContact CA-O 3.43Å
1085S86Confident69Low0 Ų066.5 Ų66.50%033%0.333CS..  trans-88.1-20.6-176.169.70000114.6Q1090 Y1614S1085-Q1090 PolarHBondContact O-NE2 3.37Å; S1085-Y1614 PolarHBondContact N-O 3.08Å; S1085-Y1614 PolarHBondContact OG-O 3.39Å
1086L87.9Confident69.2Low1 Ų169.5 Ų69.51%0.00535%0.346CS..SBendtrans-138.2131.8-167.6-174.668.8000112.6G1499 E1503 H1504 L1507L1086-G1499 WeakPolarHBondContact CA-O 3.37Å; L1086-E1503 HydrophobicContact CD1-CB 3.51Å; L1086-H1504 HydrophobicContact CD1-CB 4.39Å; L1086-H1504 HydrophobicContact CD2-CB 4.47Å; L1086-H1504 HydrophobicContact CG-CB 3.97Å; L1086-H1504 PolarHBondContact O-ND1 3.23Å; L1086-H1504 VanDerWaalsContact O-ND1 3.12Å; L1086-L1507 HydrophobicContact CD2-CB 4.08Å; L1086-L1507 HydrophobicContact CD2-CD2 3.38Å; L1086-L1507 HydrophobicContact CD2-CG 4.38Å
1087G84.5Confident69.2Low3 Ų370.8 Ų70.83%0.03135%0.352CS..SBendtrans102.2-168.8170.200000116.1K1089 Q1090 G1499 H1504G1087-K1089 PolarHBondContact O-N 3.14Å; G1087-Q1090 WeakPolarHBondContact O-CB 3.39Å; G1087-Q1090 PolarHBondContact O-N 3.49Å; G1087-G1499 PolarHBondContact N-O 3.37Å; G1087-H1504 VanDerWaalsContact CA-ND1 3.33Å; G1087-H1504 WeakPolarHBondContact CA-ND1 3.36Å
1088P72.9Confident69.3Low95 Ų9570.7 Ų70.762%0.61735%0.35SS*.THydrogen-bonded Turntrans-66.2-21.3-173.125.7-34.1000113.8
1089K77.8Confident69.9Low162 Ų16266 Ų6670%0.70433%0.331SS*.THydrogen-bonded Turntrans-95.313.7175.3-63.3-176.8-179.2176.90113V1084 G1087 S1091V1084-K1089 WeakPolarHBondContact CB-O 3.42Å; G1087-K1089 PolarHBondContact O-N 3.14Å; K1089-S1091 PolarHBondContact O-N 3.11Å
1090Q80.3Confident70.9Confident38 Ų3861.7 Ų61.718%0.17831%0.314CS..PPolyproline II helixtrans-51.6132.3178.9-176.3-176.256.300110.4V1084 S1085 G1087 I1092 V1498 G1499 I1593V1084-Q1090 CarbonylContact O-C 3.48Å; V1084-Q1090 WeakPolarHBondContact O-CA 3.5Å; S1085-Q1090 PolarHBondContact O-NE2 3.37Å; G1087-Q1090 WeakPolarHBondContact O-CB 3.39Å; G1087-Q1090 PolarHBondContact O-N 3.49Å; Q1090-I1092 PolarHBondContact O-N 3.43Å; Q1090-V1498 PolarHBondContact NE2-O 3.22Å; Q1090-V1498 PolarHBondContact OE1-O 3.17Å; Q1090-G1499 PolarHBondContact NE2-O 3.35Å; Q1090-I1593 HydrophobicContact CG-CD1 3.39Å
1091S78.1Confident72Confident4 Ų458 Ų583%0.02830%0.298CS..PPolyproline II helixtrans-64.8129.7-176.9-67.10000111.1Q1080 A1083 V1084 K1089 T1093Q1080-S1091 PolarHBondContact OE1-OG 3.15Å; A1083-S1091 WeakPolarHBondContact CA-OG 3.49Å; V1084-S1091 PolarHBondContact N-OG 2.97Å; V1084-S1091 PolarHBondContact O-N 3.22Å; K1089-S1091 PolarHBondContact O-N 3.11Å; S1091-T1093 PolarHBondContact O-N 2.93Å
1092I68Low73Confident113 Ų11353.1 Ų53.158%0.57928%0.278SS*.PPolyproline II helixtrans-75.9124.4173.8-59172.2000107.8K1078 Q1090K1078-I1092 PolarHBondContact N-O 3.19Å; Q1090-I1092 PolarHBondContact O-N 3.43Å
1093T63.7Low73.4Confident19 Ų1951.9 Ų51.912%0.11727%0.273CS..EExtended strand (participates in β ladder)trans-108.4142.2-179.654.90000111R1075 Q1076 S1091 I1593R1075-T1093 VanDerWaalsContact CB-CB 3.5Å; R1075-T1093 HydrophobicContact CB-CG2 3.72Å; R1075-T1093 WeakPolarHBondContact CD-OG1 3.25Å; R1075-T1093 HydrophobicContact CG-CG2 4.37Å; R1075-T1093 PolarHBondContact NH1-OG1 3.44Å; Q1076-T1093 CarbonylContact O-C 3.59Å; Q1076-T1093 VanDerWaalsContact O-CA 3.25Å; Q1076-T1093 WeakPolarHBondContact O-CA 3.1Å; S1091-T1093 PolarHBondContact O-N 2.93Å; T1093-I1593 HydrophobicContact CG2-CG1 4Å
1094L60.3Low73.6Confident78 Ų7852.8 Ų52.841%0.40828%0.277SS..EExtended strand (participates in β ladder)trans-70.3140.4169.1-66.8168.1000109.8Q1076 K1078 F1096Q1076-L1094 PolarHBondContact O-N 3.01Å; K1078-L1094 HydrophobicContact CD-CD2 4.36Å; L1094-F1096 PolarHBondContact O-N 3.46Å
1095P51.2Low73.6Confident72 Ų7254.8 Ų54.847%0.46829%0.287SS..PPolyproline II helixtrans-57.4128.9169.5-16.828.3000109.4
1096F56.2Low73.8Confident82 Ų8257 Ų5736%0.3630%0.302SS..PPolyproline II helixtrans-75.6157.3175.4-157.8-107.5000110.6T1072 T1074 L1094T1072-F1096 VanDerWaalsContact O-CE1 3.24Å; T1072-F1096 WeakPolarHBondContact O-CE1 3.21Å; T1074-F1096 WeakPolarHBondContact O-CD2 3.35Å; L1094-F1096 PolarHBondContact O-N 3.46Å
1097E54Low73.7Confident159 Ų15965 Ų6574%0.74334%0.34SS*.PPolyproline II helixtrans-56156.1165.1-67.9-178.1169.100109.6S1099E1097-S1099 PolarHBondContact O-N 3.25Å
1098D58.8Low73.8Confident38 Ų3869.5 Ų69.520%0.20336%0.36CS..PPolyproline II helixtrans-60.7132.3178.6-65.9-52.9000109.8N1100 T1111 K1113 R1222D1098-N1100 PolarHBondContact O-N 2.82Å; D1098-T1111 HydrophobicContact CB-CG2 2.96Å; D1098-K1113 WeakPolarHBondContact OD2-CE 3.47Å; D1098-K1113 IonicContact OD2-NZ 2.73Å; D1098-R1222 VanDerWaalsContact N-NH2 3.15Å; D1098-R1222 IonicContact OD1-CZ 3.27Å; D1098-R1222 IonicContact OD1-NE 2.71Å; D1098-R1222 PolarHBondContact OD1-NE 3.37Å; D1098-R1222 IonicContact OD1-NH1 3.97Å; D1098-R1222 IonicContact OD1-NH2 2.68Å; D1098-R1222 PolarHBondContact OD1-NH2 3.33Å; D1098-R1222 IonicContact OD2-CZ 3.64Å; D1098-R1222 IonicContact OD2-NH1 3.67Å; D1098-R1222 IonicContact OD2-NH2 3.73Å; D1098-R1222 PolarHBondContact OD2-NH2 3.01Å
1099S64.2Low74.2Confident6 Ų668.6 Ų68.64%0.04236%0.356CS..PPolyproline II helixtrans-66.7117.1179.455.50000109.5E1097 V1112E1097-S1099 PolarHBondContact O-N 3.25Å; S1099-V1112 WeakPolarHBondContact O-CG2 3.47Å; S1099-V1112 PolarHBondContact O-N 3.36Å
1100N74.1Confident74.5Confident88 Ų8863 Ų6347%0.47133%0.334SS..EExtended strand (participates in β ladder)trans-80.9136.5168.2-68-26.9000109.2D1098 D1110 T1111D1098-N1100 PolarHBondContact O-N 2.82Å; N1100-D1110 WeakPolarHBondContact CA-O 3.22Å; N1100-T1111 WeakPolarHBondContact OD1-CA 3.46Å; N1100-T1111 WeakPolarHBondContact OD1-CB 3.19Å; N1100-T1111 WeakPolarHBondContact OD1-CG2 3.35Å; N1100-T1111 PolarHBondContact OD1-OG1 2.92Å
1101A79.6Confident74.6Confident10 Ų1063 Ų638%0.08334%0.336CS..EExtended strand (participates in β ladder)trans-132.1137172.700000109.5D1110 V1112 M1119 A1166 L1217A1101-D1110 PolarHBondContact N-O 2.7Å; A1101-D1110 PolarHBondContact O-N 3.41Å; A1101-V1112 HydrophobicContact CB-CG2 4.41Å; A1101-M1119 HydrophobicContact CB-CE 3.83Å; A1101-M1119 HydrophobicContact CB-SD 3.7Å; A1101-M1119 WeakPolarHBondContact O-CE 3.44Å; A1101-A1166 HydrophobicContact CB-CB 3.93Å; A1101-L1217 HydrophobicContact CB-CD2 4.31Å
1102D84.8Confident74.6Confident94 Ų9462.9 Ų62.950%0.50334%0.335SS..EExtended strand (participates in β ladder)trans-87.4125.3-179.7-58.7-26000109.8V1104 S1109D1102-V1104 PolarHBondContact O-N 3.44Å; D1102-S1109 WeakPolarHBondContact OD1-CA 3.23Å; D1102-S1109 WeakPolarHBondContact OD1-CB 3.35Å; D1102-S1109 PolarHBondContact OD1-OG 3.13Å
1103C90.1Very high75Confident0 Ų061.2 Ų61.20%032%0.324CS..  trans-73.6114.6172.8178.10000109.7L1105 C1106 Q1107 E1108 M1119 A1166 H1168C1103-L1105 PolarHBondContact O-N 3.39Å; C1103-C1106 WeakPolarHBondContact CB-SG 3.31Å; C1103-C1106 PolarHBondContact SG-SG 3.16Å; C1103-Q1107 WeakPolarHBondContact O-CA 3.14Å; C1103-Q1107 PolarHBondContact O-N 2.81Å; C1103-E1108 PolarHBondContact N-O 2.82Å; C1103-M1119 HydrophobicContact CB-CE 4.2Å; C1103-A1166 WeakPolarHBondContact CA-O 3.4Å; C1103-H1168 VanDerWaalsContact CB-CE1 3.44Å; C1103-H1168 WeakPolarHBondContact CB-CE1 3.35Å; C1103-H1168 WeakPolarHBondContact CB-ND1 3.49Å; C1103-H1168 PolarHBondContact SG-N 2.89Å; C1103-H1168 PolarHBondContact SG-ND1 3.33Å
1104V86.5Confident75.2Confident30 Ų3062.4 Ų62.418%0.18233%0.331CS..THydrogen-bonded Turntrans-66.3-12.2-178.6-61.40000114.6D1102 H1165 A1166 M1167 P1205 L1206D1102-V1104 PolarHBondContact O-N 3.44Å; V1104-H1165 HydrophobicContact CG1-CB 3.88Å; V1104-H1165 HydrophobicContact CG2-CB 4.43Å; V1104-A1166 PolarHBondContact N-O 2.99Å; V1104-M1167 HydrophobicContact CG2-CG 3.55Å; V1104-M1167 HydrophobicContact CG2-SD 4.2Å; V1104-P1205 HydrophobicContact CG2-CB 4.49Å; V1104-P1205 HydrophobicContact CG2-CG 4.45Å; V1104-L1206 HydrophobicContact CB-CB 4.19Å; V1104-L1206 HydrophobicContact CG1-CB 4.15Å; V1104-L1206 HydrophobicContact CG1-CD2 4Å; V1104-L1206 HydrophobicContact CG1-CG 4.47Å
1105L87.3Confident75.7Confident58 Ų5865 Ų6530%0.30435%0.345SS..THydrogen-bonded Turntrans-91.9-48.5-178.8-75.1169.9000112.5C1103 M1167 C1171 Y1175 P1205C1103-L1105 PolarHBondContact O-N 3.39Å; L1105-M1167 HydrophobicContact CD1-CB 4.32Å; L1105-M1167 HydrophobicContact CD1-CG 4.02Å; L1105-M1167 HydrophobicContact CD1-SD 3.79Å; L1105-M1167 HydrophobicContact CG-CG 4.26Å; L1105-M1167 HydrophobicContact CG-SD 4.26Å; L1105-C1171 HydrophobicContact CB-CB 3.94Å; L1105-C1171 HydrophobicContact CD1-CB 3.67Å; L1105-C1171 WeakPolarHBondContact CD1-O 3.31Å; L1105-C1171 HydrophobicContact CG-CB 4.47Å; L1105-Y1175 HydrophobicContact CD1-CG 4.35Å; L1105-Y1175 HydrophobicContact CD2-CD2 4.09Å; L1105-Y1175 HydrophobicContact CD2-CG 4.21Å; L1105-P1205 HydrophobicContact CD1-CG 4.46Å; L1105-P1205 HydrophobicContact CD2-CB 3.79Å; L1105-P1205 HydrophobicContact CD2-CG 3.47Å; L1105-P1205 VanDerWaalsContact CD2-CG 3.47Å; L1105-P1205 HydrophobicContact CG-CG 3.98Å
1106C89.1Confident76.8Confident47 Ų4763 Ų6332%0.31834%0.338SS..THydrogen-bonded Turntrans-99.3-7.7177.766.30000113.9C1103 E1108 H1168C1103-C1106 WeakPolarHBondContact CB-SG 3.31Å; C1103-C1106 PolarHBondContact SG-SG 3.16Å; C1106-E1108 HydrophobicContact CB-CG 4.26Å; C1106-E1108 PolarHBondContact O-N 3.34Å; C1106-E1108 VanDerWaalsContact SG-CB 3.59Å; C1106-E1108 PolarHBondContact SG-OE2 3.49Å; C1106-E1108 VanDerWaalsContact SG-OE2 3.4Å; C1106-H1168 PolarHBondContact SG-CE1 2.87Å; C1106-H1168 PolarHBondContact SG-ND1 2.85Å
1107Q85.8Confident78.2Confident170 Ų17063.7 Ų63.779%0.79434%0.338SS*.  trans61.416-176.3-55.4-179.6-10.400114.4C1103C1103-Q1107 WeakPolarHBondContact O-CA 3.14Å; C1103-Q1107 PolarHBondContact O-N 2.81Å
1108E86.8Confident79.8Confident97 Ų9756.7 Ų56.745%0.45331%0.306SS..  trans-84.3129.9174.2-61.2170.4162.400109.9C1103 C1106 R1117 H1168C1103-E1108 PolarHBondContact N-O 2.82Å; C1106-E1108 HydrophobicContact CB-CG 4.26Å; C1106-E1108 PolarHBondContact O-N 3.34Å; C1106-E1108 VanDerWaalsContact SG-CB 3.59Å; C1106-E1108 PolarHBondContact SG-OE2 3.49Å; C1106-E1108 VanDerWaalsContact SG-OE2 3.4Å; E1108-R1117 IonicContact OE2-NH1 2.89Å; E1108-R1117 PolarHBondContact OE2-NH1 2.78Å; E1108-H1168 IonicContact OE2-CE1 4Å
1109S82.1Confident81.2Confident76 Ų7654.9 Ų54.953%0.53130%0.296SS..EExtended strand (participates in β ladder)trans-77.9116.3168.2-54.50000109D1102D1102-S1109 WeakPolarHBondContact OD1-CA 3.23Å; D1102-S1109 WeakPolarHBondContact OD1-CB 3.35Å; D1102-S1109 PolarHBondContact OD1-OG 3.13Å
1110D84.4Confident82.5Confident45 Ų4554.6 Ų54.624%0.24129%0.294CS..EExtended strand (participates in β ladder)trans-118.9146.9177.2-105-29.8000111.4N1100 A1101 M1119 H1168N1100-D1110 WeakPolarHBondContact CA-O 3.22Å; A1101-D1110 PolarHBondContact N-O 2.7Å; A1101-D1110 PolarHBondContact O-N 3.41Å; D1110-M1119 HydrophobicContact CB-SD 3.97Å; D1110-H1168 IonicContact OD2-CD2 3.23Å; D1110-H1168 IonicContact OD2-CE1 2.75Å; D1110-H1168 PolarHBondContact OD2-CE1 3.46Å; D1110-H1168 IonicContact OD2-NE2 3.95Å; D1110-H1168 PolarHBondContact OD2-NE2 2.91Å
1111T81.2Confident83.2Confident38 Ų3851.2 Ų51.223%0.23328%0.275CS..EExtended strand (participates in β ladder)trans-89.7122.2-178.7-52.30000110.1D1098 N1100 K1113D1098-T1111 HydrophobicContact CB-CG2 2.96Å; N1100-T1111 WeakPolarHBondContact OD1-CA 3.46Å; N1100-T1111 WeakPolarHBondContact OD1-CB 3.19Å; N1100-T1111 WeakPolarHBondContact OD1-CG2 3.35Å; N1100-T1111 PolarHBondContact OD1-OG1 2.92Å; T1111-K1113 HydrophobicContact CG2-CD 4.25Å; T1111-K1113 VanDerWaalsContact CG2-CE 3.5Å; T1111-K1113 HydrophobicContact CG2-CG 3.99Å; T1111-K1113 PolarHBondContact O-N 3.32Å
1112V78.5Confident83.5Confident0 Ų050.8 Ų50.80%027%0.271CS..  trans-71.195.6-178.8-173.50000110.2S1099 A1101 M1119 L1217 P1219S1099-V1112 WeakPolarHBondContact O-CG2 3.47Å; S1099-V1112 PolarHBondContact O-N 3.36Å; A1101-V1112 HydrophobicContact CB-CG2 4.41Å; V1112-M1119 HydrophobicContact CG2-SD 4.33Å; V1112-L1217 HydrophobicContact CG1-CB 4.17Å; V1112-L1217 WeakPolarHBondContact CG1-O 3.42Å; V1112-L1217 HydrophobicContact CG2-CB 4.41Å; V1112-L1217 HydrophobicContact CG2-CD2 4.17Å; V1112-P1219 HydrophobicContact CG1-CB 4.34Å; V1112-P1219 WeakPolarHBondContact O-CB 3.2Å
1113K75.9Confident83.6Confident79 Ų7946.3 Ų46.334%0.34325%0.247SC..  trans-121.4165.5179-64.1178.7179.3170.80111.9D1098 T1111 D1115 Y1354D1098-K1113 WeakPolarHBondContact OD2-CE 3.47Å; D1098-K1113 IonicContact OD2-NZ 2.73Å; T1111-K1113 HydrophobicContact CG2-CD 4.25Å; T1111-K1113 VanDerWaalsContact CG2-CE 3.5Å; T1111-K1113 HydrophobicContact CG2-CG 3.99Å; T1111-K1113 PolarHBondContact O-N 3.32Å; K1113-D1115 WeakPolarHBondContact CB-OD1 3.36Å; K1113-Y1354 PolarHBondContact O-OH 3.4Å
1114T68.5Low83.4Confident44 Ų4446.4 Ų46.427%0.2725%0.247SC..SBendtrans-63.5-41.9174.337.40000113.7P1219 L1348 T1351T1114-P1219 HydrophobicContact CG2-CG 3.85Å; T1114-L1348 HydrophobicContact CG2-CD1 3.72Å; T1114-L1348 HydrophobicContact CG2-CD2 3.03Å; T1114-L1348 HydrophobicContact CG2-CG 3.26Å; T1114-T1351 WeakPolarHBondContact O-CG2 3.17Å
1115D70.2Confident83.3Confident133 Ų13345 Ų4571%0.71124%0.239SC*.SBendtrans-98.6-3.1-178.659.9-26.5000112.4K1113K1113-D1115 WeakPolarHBondContact CB-OD1 3.36Å
1116G75.7Confident83Confident30 Ų3042.4 Ų42.431%0.30923%0.225SC..SBendtrans-81.8175.4177.400000113.5L1118G1116-L1118 PolarHBondContact O-N 2.79Å
1117R85.6Confident82.5Confident96 Ų9641.5 Ų41.536%0.36222%0.217SC..  trans-66.1122.4177.9-151.5175.2-170.8-177.23.8109.9E1108 M1119 E1170E1108-R1117 IonicContact OE2-NH1 2.89Å; E1108-R1117 PolarHBondContact OE2-NH1 2.78Å; R1117-M1119 PolarHBondContact O-N 3.1Å; R1117-E1170 IonicContact CZ-OE2 3.73Å; R1117-E1170 IonicContact NE-OE2 3.86Å; R1117-E1170 PolarHBondContact NE-OE2 2.75Å; R1117-E1170 IonicContact NH2-OE2 2.83Å; R1117-E1170 PolarHBondContact NH2-OE2 3.48Å
1118L87.1Confident82.4Confident12 Ų1233.5 Ų33.56%0.06318%0.18CC..  trans-60.8128.2-177.617264.7000111.2G1116 H1168 W1169 P1216 D1353 Y1354 A1357G1116-L1118 PolarHBondContact O-N 2.79Å; L1118-H1168 WeakPolarHBondContact O-CA 3.27Å; L1118-W1169 HydrophobicContact CB-CB 3.98Å; L1118-W1169 HydrophobicContact CD2-CB 3.6Å; L1118-W1169 HydrophobicContact CD2-CD2 3.97Å; L1118-W1169 HydrophobicContact CD2-CE3 4.41Å; L1118-W1169 HydrophobicContact CD2-CG 3.63Å; L1118-W1169 HydrophobicContact CG-CB 3.7Å; L1118-W1169 HydrophobicContact CG-CG 4.29Å; L1118-W1169 PolarHBondContact O-N 3.41Å; L1118-P1216 HydrophobicContact CD1-CB 4.22Å; L1118-D1353 HydrophobicContact CD2-CB 4.24Å; L1118-Y1354 HydrophobicContact CD1-CD1 3.33Å; L1118-Y1354 HydrophobicContact CD1-CD2 4.3Å; L1118-Y1354 HydrophobicContact CD1-CE1 3.15Å; L1118-Y1354 HydrophobicContact CD1-CE2 4.16Å; L1118-Y1354 HydrophobicContact CD1-CG 3.91Å; L1118-A1357 HydrophobicContact CD2-CB 3.64Å
1119M88.8Confident82.1Confident0 Ų029.2 Ų29.20%016%0.161CC..EExtended strand (participates in β ladder)trans-111.3149.9175.2-63.5-162.777.500112.1A1101 C1103 D1110 V1112 R1117 A1166 M1167 L1217A1101-M1119 HydrophobicContact CB-CE 3.83Å; A1101-M1119 HydrophobicContact CB-SD 3.7Å; A1101-M1119 WeakPolarHBondContact O-CE 3.44Å; C1103-M1119 HydrophobicContact CB-CE 4.2Å; D1110-M1119 HydrophobicContact CB-SD 3.97Å; V1112-M1119 HydrophobicContact CG2-SD 4.33Å; R1117-M1119 PolarHBondContact O-N 3.1Å; M1119-A1166 HydrophobicContact CE-CB 3.66Å; M1119-M1167 CarbonylContact C-O 3.53Å; M1119-M1167 WeakPolarHBondContact CA-O 3.48Å; M1119-L1217 HydrophobicContact CB-CB 4.42Å; M1119-L1217 HydrophobicContact CB-CD2 4.43Å; M1119-L1217 PolarHBondContact O-N 3.35Å
1120V89.8Confident82.1Confident0 Ų025.9 Ų25.90%014%0.137CC..EExtended strand (participates in β ladder)trans-138.2149.4-178.2-580000112.5A1166 M1167 W1169 W1172 V1214 V1215 P1216 L1217V1120-A1166 CarbonylContact O-C 3.49Å; V1120-A1166 WeakPolarHBondContact O-CA 3.38Å; V1120-M1167 HydrophobicContact CG2-CB 4.35Å; V1120-M1167 PolarHBondContact N-O 3.09Å; V1120-M1167 PolarHBondContact O-N 3.5Å; V1120-W1169 HydrophobicContact CG1-CB 4.35Å; V1120-W1169 HydrophobicContact CG1-CE3 3.89Å; V1120-W1172 HydrophobicContact CG2-CB 4.19Å; V1120-W1172 HydrophobicContact CG2-CG 4.49Å; V1120-V1214 HydrophobicContact CB-CB 3.93Å; V1120-V1214 HydrophobicContact CB-CG1 4.41Å; V1120-V1214 HydrophobicContact CB-CG2 4.4Å; V1120-V1214 HydrophobicContact CG1-CB 4.46Å; V1120-V1214 HydrophobicContact CG1-CG2 4.41Å; V1120-V1214 HydrophobicContact CG2-CB 3.94Å; V1120-V1214 HydrophobicContact CG2-CG1 3.89Å; V1120-V1214 HydrophobicContact CG2-CG2 4.39Å; V1120-V1215 CarbonylContact C-O 3.58Å; V1120-V1215 WeakPolarHBondContact CA-O 3.41Å; V1120-P1216 HydrophobicContact CG1-CB 4.4Å; V1120-L1217 VanDerWaalsContact CA-CD1 3.49Å
1121Y89Confident81.8Confident17 Ų1724 Ų247%0.06713%0.127CC..EExtended strand (participates in β ladder)trans-94.3139.1167.8-71.5-48.5000110.9A1123 G1164 A1166 V1214 V1215 L1217 S1413 A1417Y1121-A1123 PolarHBondContact O-N 2.84Å; Y1121-G1164 WeakPolarHBondContact CD1-O 3.49Å; Y1121-G1164 WeakPolarHBondContact CE1-O 3.26Å; Y1121-A1166 HydrophobicContact CD1-CB 4.16Å; Y1121-A1166 HydrophobicContact CE1-CB 3.87Å; Y1121-V1214 CarbonylContact O-C 3.57Å; Y1121-V1214 VanDerWaalsContact O-CA 3.23Å; Y1121-V1214 WeakPolarHBondContact O-CA 3.35Å; Y1121-V1215 PolarHBondContact N-O 3.49Å; Y1121-V1215 PolarHBondContact O-N 3.01Å; Y1121-L1217 HydrophobicContact CD1-CD1 3.87Å; Y1121-L1217 HydrophobicContact CD2-CD1 3.44Å; Y1121-L1217 VanDerWaalsContact CD2-CD1 3.44Å; Y1121-L1217 HydrophobicContact CD2-CG 3.91Å; Y1121-L1217 HydrophobicContact CE1-CD1 4.01Å; Y1121-L1217 HydrophobicContact CE1-CD2 3.97Å; Y1121-L1217 HydrophobicContact CE1-CG 4.34Å; Y1121-L1217 HydrophobicContact CE2-CD1 3.61Å; Y1121-L1217 HydrophobicContact CE2-CD2 3.88Å; Y1121-L1217 HydrophobicContact CE2-CG 3.56Å; Y1121-L1217 HydrophobicContact CG-CD1 3.57Å; Y1121-L1217 HydrophobicContact CG-CG 4.44Å; Y1121-L1217 VanDerWaalsContact N-CD1 3.32Å; Y1121-S1413 VanDerWaalsContact CE2-CB 3.46Å; Y1121-S1413 WeakPolarHBondContact CE2-OG 3.4Å; Y1121-A1417 HydrophobicContact CD2-CB 3.97Å; Y1121-A1417 HydrophobicContact CE2-CB 4.19Å
1122A86.9Confident81.5Confident0 Ų025.7 Ų25.70%013%0.129CC..EExtended strand (participates in β ladder)trans-64.9131.416600000110.6T1162 M1167 Y1202 C1204A1122-T1162 WeakPolarHBondContact O-CA 3.48Å; A1122-T1162 WeakPolarHBondContact O-CB 3.49Å; A1122-M1167 HydrophobicContact CB-CE 3.76Å; A1122-Y1202 HydrophobicContact CB-CE2 4.28Å; A1122-C1204 HydrophobicContact CB-CB 4.49Å
1123A87.1Confident80.8Confident0 Ų027.4 Ų27.40%014%0.138CC..EExtended strand (participates in β ladder)trans-136.9147.3-174.400000112.5Y1121 L1160 S1161 T1162 S1211 N1212 T1213 V1215Y1121-A1123 PolarHBondContact O-N 2.84Å; A1123-L1160 HydrophobicContact CB-CD1 4.02Å; A1123-S1161 CarbonylContact C-O 3.51Å; A1123-S1161 WeakPolarHBondContact CA-O 3.41Å; A1123-T1162 HydrophobicContact CB-CG2 3.83Å; A1123-S1211 CarbonylContact O-C 3.54Å; A1123-S1211 VanDerWaalsContact O-CA 3.29Å; A1123-S1211 WeakPolarHBondContact O-CA 3.35Å; A1123-S1211 VanDerWaalsContact O-CB 3.28Å; A1123-S1211 WeakPolarHBondContact O-CB 3.24Å; A1123-N1212 PolarHBondContact O-N 2.98Å; A1123-T1213 HydrophobicContact CB-CG2 4Å; A1123-T1213 PolarHBondContact N-O 3.15Å; A1123-T1213 PolarHBondContact O-N 2.9Å; A1123-T1213 VanDerWaalsContact O-N 3.13Å; A1123-V1215 HydrophobicContact CB-CG2 3.64Å
1124L86.2Confident80.1Confident2 Ų228.5 Ų28.51%0.0114%0.14CC..EExtended strand (participates in β ladder)trans-114.7115.7172.3179.569.2000108.6S1161 I1210 P1796L1124-S1161 PolarHBondContact N-O 2.96Å; L1124-S1161 PolarHBondContact O-N 3.34Å; L1124-S1161 PolarHBondContact O-OG 3.43Å; L1124-I1210 HydrophobicContact CD1-CG2 4.36Å; L1124-I1210 HydrophobicContact CD2-CG2 3.8Å; L1124-P1796 HydrophobicContact CD2-CB 4.09Å; L1124-P1796 HydrophobicContact CD2-CG 4.13Å
1125I83.1Confident79.4Confident2 Ų235.1 Ų35.11%0.0116%0.16CC..EExtended strand (participates in β ladder)trans-96.2125.6167.5-64.2169.4000107.3V1158 H1159 L1160 N1212 T1213 F1361 V1365 M1368I1125-V1158 HydrophobicContact CG2-CG1 3.39Å; I1125-H1159 WeakPolarHBondContact CA-O 3.42Å; I1125-L1160 HydrophobicContact CD1-CD1 4.24Å; I1125-L1160 HydrophobicContact CG1-CD1 3.43Å; I1125-L1160 VanDerWaalsContact CG1-CD1 3.43Å; I1125-N1212 PolarHBondContact N-OD1 3.04Å; I1125-N1212 PolarHBondContact O-ND2 3.49Å; I1125-T1213 HydrophobicContact CB-CG2 4.38Å; I1125-T1213 HydrophobicContact CD1-CG2 3.27Å; I1125-T1213 HydrophobicContact CG1-CG2 3.53Å; I1125-F1361 HydrophobicContact CD1-CD2 4.39Å; I1125-F1361 HydrophobicContact CD1-CE2 3.97Å; I1125-V1365 HydrophobicContact CD1-CB 4.25Å; I1125-V1365 HydrophobicContact CD1-CG2 3.44Å; I1125-V1365 VanDerWaalsContact CD1-CG2 3.44Å; I1125-V1365 HydrophobicContact CG1-CG2 4.35Å; I1125-M1368 HydrophobicContact CG2-CB 3.81Å; I1125-M1368 HydrophobicContact CG2-CG 3.97Å; I1125-M1368 WeakPolarHBondContact O-CE 3.44Å
1126Q81.9Confident78.4Confident3 Ų335.1 Ų35.11%0.01415%0.154CC..EExtended strand (participates in β ladder)trans-140.3152.9178.760.2-175.6-49.400111H1159 P1748 H1793Q1126-H1159 HydrophobicContact CG-CB 4.39Å; Q1126-H1159 PolarHBondContact N-O 3.01Å; Q1126-H1159 PolarHBondContact O-N 3.24Å; Q1126-P1748 HydrophobicContact CB-CG 4.44Å; Q1126-H1793 PolarHBondContact NE2-O 3.2Å
1127D79Confident77.1Confident27 Ų2743.4 Ų43.414%0.14418%0.181CC..EExtended strand (participates in β ladder)trans-76.6140.5170.3-174.832.8000110.7S1156 R1372 S1730D1127-S1156 WeakPolarHBondContact OD1-CB 3.45Å; D1127-S1156 PolarHBondContact OD1-OG 3.05Å; D1127-S1156 PolarHBondContact OD2-OG 3.14Å; D1127-R1372 IonicContact OD1-NH2 2.82Å; D1127-R1372 IonicContact OD2-CZ 3.99Å; D1127-R1372 IonicContact OD2-NH2 3.45Å; D1127-R1372 PolarHBondContact OD2-NH2 3.36Å; D1127-S1730 VanDerWaalsContact CG-OG 3.3Å; D1127-S1730 VanDerWaalsContact O-CB 3.3Å; D1127-S1730 WeakPolarHBondContact O-CB 3.47Å; D1127-S1730 WeakPolarHBondContact OD2-CB 3.47Å; D1127-S1730 PolarHBondContact OD2-OG 3.05Å
1128S82.6Confident75.1Confident3 Ų346.9 Ų46.92%0.02119%0.194CC..EExtended strand (participates in β ladder)trans-129.9127.4-175.7177.30000112.4V1130 S1156 A1157 Y1390 H1793S1128-V1130 PolarHBondContact OG-N 3.35Å; S1128-S1156 CarbonylContact O-C 3.55Å; S1128-S1156 WeakPolarHBondContact O-CA 3.31Å; S1128-S1156 WeakPolarHBondContact O-CB 3.28Å; S1128-A1157 WeakPolarHBondContact CB-O 3.42Å; S1128-A1157 PolarHBondContact N-O 3.44Å; S1128-A1157 PolarHBondContact O-N 2.86Å; S1128-Y1390 WeakPolarHBondContact CB-OH 3.38Å; S1128-Y1390 PolarHBondContact O-OH 3.43Å; S1128-Y1390 PolarHBondContact OG-OH 2.68Å; S1128-H1793 VanDerWaalsContact CB-NE2 3.32Å; S1128-H1793 WeakPolarHBondContact CB-NE2 3.39Å; S1128-H1793 PolarHBondContact OG-CD2 3.23Å; S1128-H1793 PolarHBondContact OG-NE2 3.39Å
1129S80.9Confident73Confident7 Ų748.8 Ų48.85%0.04921%0.208CC..  trans-107.411.617544.30000113.4Y1131 R1132 S1729 S1730S1129-Y1131 PolarHBondContact O-N 2.94Å; S1129-R1132 WeakPolarHBondContact O-CB 3.47Å; S1129-R1132 PolarHBondContact O-N 2.77Å; S1129-S1729 VanDerWaalsContact OG-C 3.24Å; S1129-S1729 VanDerWaalsContact OG-CA 3.26Å; S1129-S1729 WeakPolarHBondContact OG-CA 3.22Å; S1129-S1730 WeakPolarHBondContact CB-OG 3.22Å; S1129-S1730 PolarHBondContact N-OG 3.4Å; S1129-S1730 PolarHBondContact OG-OG 2.7Å
1130V82.4Confident70.8Confident5 Ų555.8 Ų55.83%0.0324%0.235CC..THydrogen-bonded Turntrans-58.2-36.3-175.4172.80000112.2S1128 P1659 E1660S1128-V1130 PolarHBondContact OG-N 3.35Å; V1130-P1659 HydrophobicContact CG1-CB 3.48Å; V1130-P1659 VanDerWaalsContact CG1-CB 3.48Å; V1130-E1660 PolarHBondContact O-N 3.15Å
1131Y77.6Confident68.4Low7 Ų761.6 Ų61.63%0.02727%0.266CS..THydrogen-bonded Turntrans-96.519178.9-71.2-74.6000114.3S1129 Y1390 R1393 S1397 V1657 P1659S1129-Y1131 PolarHBondContact O-N 2.94Å; Y1131-Y1390 AromaticContact CD2-CE2 3.68Å; Y1131-Y1390 HydrophobicContact CD2-CE2 3.68Å; Y1131-Y1390 AromaticContact CD2-CZ 3.81Å; Y1131-Y1390 HydrophobicContact CE2-CE2 4.49Å; Y1131-Y1390 HydrophobicContact CG-CE2 4.42Å; Y1131-R1393 HydrophobicContact CE2-CG 4.08Å; Y1131-R1393 PolarHBondContact OH-O 3.12Å; Y1131-S1397 WeakPolarHBondContact OH-CB 3.46Å; Y1131-S1397 PolarHBondContact OH-OG 3.35Å; Y1131-V1657 HydrophobicContact CD1-CB 3.97Å; Y1131-V1657 HydrophobicContact CD1-CG1 3.72Å; Y1131-V1657 WeakPolarHBondContact CE1-O 3.31Å; Y1131-V1657 HydrophobicContact CG-CG1 4.33Å; Y1131-P1659 HydrophobicContact CE1-CB 4.36Å
1132R74.7Confident66.4Low72 Ų7263.3 Ų63.327%0.27228%0.275SS..BIsolated β-bridgetrans-78.3128.6-174.6-176179.2-175.5167.5-7.8113.4S1129 R1134 F1154 N1155 E1660 N1727S1129-R1132 WeakPolarHBondContact O-CB 3.47Å; S1129-R1132 PolarHBondContact O-N 2.77Å; R1132-R1134 PolarHBondContact O-N 3.36Å; R1132-F1154 WeakPolarHBondContact CA-O 3.49Å; R1132-N1155 WeakPolarHBondContact CD-O 3.28Å; R1132-N1155 VanDerWaalsContact CG-O 3.29Å; R1132-N1155 WeakPolarHBondContact CG-O 3.35Å; R1132-E1660 VanDerWaalsContact O-CG 3.24Å; R1132-E1660 WeakPolarHBondContact O-CG 3.35Å; R1132-N1727 PolarHBondContact NH1-O 3.31Å; R1132-N1727 PolarHBondContact NH2-O 3.02Å
1133N64.6Low64.3Low37 Ų3768.5 Ų68.520%0.19830%0.302CS..  trans-77.6112.9175.8-170.1-19.6000112.6R1135N1133-R1135 PolarHBondContact O-N 3.44Å; N1133-R1135 PolarHBondContact OD1-N 2.95Å; N1133-R1135 VanDerWaalsContact OD1-N 3.14Å
1134R60.5Low62.3Low101 Ų10173.2 Ų73.238%0.38133%0.326SS..THydrogen-bonded Turntrans-71.5-24.3-177.7-64.1179.3178.9163.87.5115R1132 E1660 R1661 V1697R1132-R1134 PolarHBondContact O-N 3.36Å; R1134-E1660 IonicContact CZ-OE2 3.97Å; R1134-E1660 IonicContact NE-OE2 3.23Å; R1134-E1660 IonicContact NH1-OE2 2.71Å; R1134-R1661 PolarHBondContact NH1-O 2.96Å; R1134-R1661 VanDerWaalsContact NH1-O 3.11Å; R1134-R1661 PolarHBondContact NH2-O 3.14Å; R1134-V1697 PolarHBondContact NE-O 2.88Å; R1134-V1697 PolarHBondContact NH1-O 3.35Å; R1134-V1697 PolarHBondContact NH2-O 3.24Å
1135R53.7Low60.6Low184 Ų18477.1 Ų77.169%0.69434%0.341SS*.THydrogen-bonded Turntrans-88.6-15-166.9-64.6-174.1-174.21644.6114.4N1133N1133-R1135 PolarHBondContact O-N 3.44Å; N1133-R1135 PolarHBondContact OD1-N 2.95Å; N1133-R1135 VanDerWaalsContact OD1-N 3.14Å
1136K49.3Very low59.5Low133 Ų13378.2 Ų78.258%0.57835%0.347SS*.PPolyproline II helixtrans-92.3123.7175.7-79.9-172.1173-173.10110.6
1137K47.4Very low58.5Low203 Ų20380.4 Ų80.488%0.88336%0.356SS*.PPolyproline II helixtrans-66.9138.6160.4-81.1-178.8176.3178.10107.8S1139K1137-S1139 PolarHBondContact O-N 3.35Å; K1137-S1139 VanDerWaalsContact O-N 3.11Å
1138R44.5Very low58Low170 Ų17081.3 Ų81.364%0.64236%0.357SS*.PPolyproline II helixtrans-49.8117.3170.5-111.1179.6159.6172.5-8.7108.9
1139S44.1Very low57.5Low51 Ų5181.2 Ų81.236%0.35736%0.357SS..PPolyproline II helixtrans-85.7143.3169.41720000108.9K1137 D1141 E1142K1137-S1139 PolarHBondContact O-N 3.35Å; K1137-S1139 VanDerWaalsContact O-N 3.11Å; S1139-D1141 PolarHBondContact O-N 3.09Å; S1139-D1141 VanDerWaalsContact O-N 3.14Å; S1139-D1141 PolarHBondContact OG-N 2.98Å; S1139-D1141 VanDerWaalsContact OG-N 3.13Å; S1139-D1141 PolarHBondContact OG-OD2 3.34Å; S1139-E1142 PolarHBondContact O-N 2.99Å
1140R41.2Very low57.2Low147 Ų14781.7 Ų81.756%0.55536%0.359SS*.THydrogen-bonded Turntrans-53.8-27.4169.5-100.2-180173.9-160.7-8.4112.3E1142 D1143 E1290R1140-E1142 VanDerWaalsContact C-N 3.31Å; R1140-E1142 PolarHBondContact O-N 3.07Å; R1140-D1143 PolarHBondContact O-N 3.2Å; R1140-E1290 IonicContact CZ-OE1 3.74Å; R1140-E1290 IonicContact CZ-OE2 2.88Å; R1140-E1290 IonicContact NE-OE1 3.29Å; R1140-E1290 PolarHBondContact NE-OE1 3.08Å; R1140-E1290 IonicContact NE-OE2 3.4Å; R1140-E1290 PolarHBondContact NE-OE2 3.23Å; R1140-E1290 IonicContact NH2-OE1 3.52Å; R1140-E1290 IonicContact NH2-OE2 3.97Å; R1140-E1290 PolarHBondContact NH2-OE2 3.31Å
1141D40.6Very low56.6Low122 Ų12283.4 Ų83.465%0.65237%0.37SS*.THydrogen-bonded Turntrans-72.9-21.2179.8-60.8-41.3000113.1S1139 I1144S1139-D1141 PolarHBondContact O-N 3.09Å; S1139-D1141 VanDerWaalsContact O-N 3.14Å; S1139-D1141 PolarHBondContact OG-N 2.98Å; S1139-D1141 VanDerWaalsContact OG-N 3.13Å; S1139-D1141 PolarHBondContact OG-OD2 3.34Å; D1141-I1144 CarbonylContact O-C 3.56Å; D1141-I1144 PolarHBondContact O-N 3.25Å
1142E45.2Very low55.9Low53 Ų5384.5 Ų84.525%0.24838%0.375CS..THydrogen-bonded Turntrans-72.6-28.2176.6-72.4-174.7179.500112.3S1139 R1140 I1144 W1145 N1155S1139-E1142 PolarHBondContact O-N 2.99Å; R1140-E1142 VanDerWaalsContact C-N 3.31Å; R1140-E1142 PolarHBondContact O-N 3.07Å; E1142-I1144 PolarHBondContact O-N 3.39Å; E1142-W1145 WeakPolarHBondContact O-CB 3.23Å; E1142-W1145 PolarHBondContact O-N 2.96Å; E1142-N1155 PolarHBondContact OE2-ND2 3.37Å; E1142-N1155 VanDerWaalsContact OE2-ND2 3.12Å
1143D43.9Very low55.3Low109 Ų10982.3 Ų82.358%0.58337%0.371SS*.THydrogen-bonded Turntrans-71.1-17.7175.4-66.9-32.2000111.8R1140R1140-D1143 PolarHBondContact O-N 3.2Å
1144I45.4Very low55.2Low99 Ų9981.3 Ų81.351%0.50837%0.365SS..THydrogen-bonded Turntrans-106.228.1176.5-40.2173.2000109.8D1141 E1142 P1462D1141-I1144 CarbonylContact O-C 3.56Å; D1141-I1144 PolarHBondContact O-N 3.25Å; E1142-I1144 PolarHBondContact O-N 3.39Å; I1144-P1462 HydrophobicContact CG2-CB 4.47Å; I1144-P1462 HydrophobicContact CG2-CG 4.26Å; I1144-P1462 WeakPolarHBondContact O-CB 3.26Å; I1144-P1462 WeakPolarHBondContact O-CG 2.99Å
1145W50Low55.4Low85 Ų8579.1 Ų79.132%0.32236%0.361SS..SBendtrans-70.4139.9170.2-167.5-93.3000110.4E1142 Y1147 Y1149 P1151 P1465 Q1469E1142-W1145 WeakPolarHBondContact O-CB 3.23Å; E1142-W1145 PolarHBondContact O-N 2.96Å; W1145-Y1147 PolarHBondContact O-N 3.28Å; W1145-Y1149 PolarHBondContact NE1-O 3.08Å; W1145-P1151 HydrophobicContact CD2-CB 4.19Å; W1145-P1151 HydrophobicContact CH2-CB 4.4Å; W1145-P1151 HydrophobicContact CZ2-CB 3.99Å; W1145-P1465 HydrophobicContact CZ2-CB 4.42Å; W1145-Q1469 HydrophobicContact CH2-CB 3.99Å; W1145-Q1469 HydrophobicContact CZ2-CB 4.39Å; W1145-Q1469 WeakPolarHBondContact CZ2-O 3.39Å
1146N59.1Low56.1Low24 Ų2471.2 Ų71.213%0.12833%0.334CS..  trans-64.8110.3178.6-172.9-36.8000109.5Y1148 Y1149 P1462N1146-Y1148 PolarHBondContact O-N 3.47Å; N1146-Y1148 VanDerWaalsContact OD1-CD2 3.27Å; N1146-Y1148 WeakPolarHBondContact OD1-CD2 3.4Å; N1146-Y1148 PolarHBondContact OD1-N 2.93Å; N1146-Y1149 HydrophobicContact CB-CD2 3.76Å; N1146-Y1149 HydrophobicContact CB-CE2 4.09Å; N1146-Y1149 PolarHBondContact O-N 3.44Å; N1146-P1462 HydrophobicContact CB-CB 4.45Å; N1146-P1462 HydrophobicContact CB-CG 3.82Å; N1146-P1462 PolarHBondContact ND2-O 3.29Å
1147Y62.7Low57.5Low50 Ų5065.8 Ų65.820%0.19631%0.313CS..THydrogen-bonded Turntrans-55.8-28.7-171-177.8-93.9000113.4W1145 Y1149 T1373 Y1379 Q1382 T1383W1145-Y1147 PolarHBondContact O-N 3.28Å; Y1147-Y1149 PolarHBondContact O-N 3.04Å; Y1147-T1373 HydrophobicContact CD2-CG2 4.36Å; Y1147-T1373 HydrophobicContact CE2-CG2 3.76Å; Y1147-Y1379 AromaticContact CD1-CD1 3.55Å; Y1147-Y1379 HydrophobicContact CD1-CD1 3.55Å; Y1147-Y1379 AromaticContact CD1-CE1 3.74Å; Y1147-Y1379 HydrophobicContact CD1-CE1 3.74Å; Y1147-Y1379 AromaticContact CD2-CD1 3.84Å; Y1147-Y1379 HydrophobicContact CD2-CD1 3.84Å; Y1147-Y1379 AromaticContact CD2-CE1 3.85Å; Y1147-Y1379 HydrophobicContact CD2-CE1 3.85Å; Y1147-Y1379 AromaticContact CE1-CD1 3.34Å; Y1147-Y1379 HydrophobicContact CE1-CD1 3.34Å; Y1147-Y1379 HydrophobicContact CE1-CE1 4.03Å; Y1147-Y1379 HydrophobicContact CE1-CG 4.27Å; Y1147-Y1379 AromaticContact CE2-CD1 3.67Å; Y1147-Y1379 HydrophobicContact CE2-CD1 3.67Å; Y1147-Y1379 HydrophobicContact CE2-CE1 4.15Å; Y1147-Y1379 AromaticContact CG-CD1 3.81Å; Y1147-Y1379 HydrophobicContact CG-CD1 3.81Å; Y1147-Y1379 AromaticContact CG-CE1 3.65Å; Y1147-Y1379 HydrophobicContact CG-CE1 3.65Å; Y1147-Y1379 AromaticContact CZ-CD1 3.42Å; Y1147-Y1379 VanDerWaalsContact CZ-CD1 3.42Å; Y1147-Y1379 PolarHBondContact OH-O 3.45Å; Y1147-Q1382 HydrophobicContact CD1-CG 4.41Å; Y1147-Q1382 HydrophobicContact CE1-CB 3.69Å; Y1147-Q1382 HydrophobicContact CE1-CG 3.65Å; Y1147-Q1382 VanDerWaalsContact O-CD 3.26Å; Y1147-Q1382 PolarHBondContact O-NE2 3.39Å; Y1147-Q1382 PolarHBondContact O-OE1 3.36Å; Y1147-T1383 PolarHBondContact OH-N 3.15Å; Y1147-T1383 PolarHBondContact OH-OG1 3.03Å
1148Y67.1Low59.2Low45 Ų4556.8 Ų56.818%0.17628%0.276CS..THydrogen-bonded Turntrans-58-16.8174.3-65.4-63.8000113.1N1146 Q1382 F1436 T1437 Q1440 Q1441N1146-Y1148 PolarHBondContact O-N 3.47Å; N1146-Y1148 VanDerWaalsContact OD1-CD2 3.27Å; N1146-Y1148 WeakPolarHBondContact OD1-CD2 3.4Å; N1146-Y1148 PolarHBondContact OD1-N 2.93Å; Y1148-Q1382 VanDerWaalsContact CA-NE2 3.28Å; Y1148-Q1382 PolarHBondContact O-NE2 3.41Å; Y1148-F1436 HydrophobicContact CE1-CE1 4.34Å; Y1148-F1436 AromaticContact CZ-CE1 3.97Å; Y1148-F1436 WeakPolarHBondContact OH-CE1 3.01Å; Y1148-T1437 HydrophobicContact CD1-CG2 4.29Å; Y1148-T1437 HydrophobicContact CE1-CG2 4.5Å; Y1148-Q1440 HydrophobicContact CD1-CB 3.85Å; Y1148-Q1440 HydrophobicContact CD1-CG 3.93Å; Y1148-Q1440 HydrophobicContact CD2-CB 4.06Å; Y1148-Q1440 HydrophobicContact CD2-CG 3.92Å; Y1148-Q1440 HydrophobicContact CE1-CB 4.39Å; Y1148-Q1440 HydrophobicContact CE1-CG 3.95Å; Y1148-Q1440 HydrophobicContact CE2-CG 3.95Å; Y1148-Q1440 HydrophobicContact CG-CB 3.69Å; Y1148-Q1440 HydrophobicContact CG-CG 3.94Å; Y1148-Q1441 PolarHBondContact O-NE2 3.22Å
1149Y72.3Confident61.3Low2 Ų248.9 Ų48.91%0.00825%0.246CC..SBendtrans-123.3137-175.7-47-83.6000111.1W1145 N1146 Y1147 Q1440 P1444 P1465 I1470W1145-Y1149 PolarHBondContact NE1-O 3.08Å; N1146-Y1149 HydrophobicContact CB-CD2 3.76Å; N1146-Y1149 HydrophobicContact CB-CE2 4.09Å; N1146-Y1149 PolarHBondContact O-N 3.44Å; Y1147-Y1149 PolarHBondContact O-N 3.04Å; Y1149-Q1440 VanDerWaalsContact CE1-O 3.27Å; Y1149-Q1440 WeakPolarHBondContact CE1-O 3.39Å; Y1149-Q1440 PolarHBondContact OH-O 2.92Å; Y1149-P1444 HydrophobicContact CD1-CG 3.83Å; Y1149-P1444 HydrophobicContact CE1-CG 3.24Å; Y1149-P1465 HydrophobicContact CD1-CG 3.74Å; Y1149-P1465 VanDerWaalsContact CD2-CD 3.42Å; Y1149-P1465 HydrophobicContact CD2-CG 3.35Å; Y1149-P1465 HydrophobicContact CE1-CG 4.06Å; Y1149-P1465 HydrophobicContact CE2-CG 3.7Å; Y1149-P1465 HydrophobicContact CG-CG 3.33Å; Y1149-I1470 HydrophobicContact CD1-CG2 4.06Å; Y1149-I1470 HydrophobicContact CG-CG2 4.22Å
1150T74.1Confident63.3Low16 Ų1646.7 Ų46.710%0.09823%0.23CC..  trans-84.8123.4171.3-570000109F1154 Q1386 D1471 T1474T1150-F1154 HydrophobicContact CG2-CE1 3.98Å; T1150-F1154 HydrophobicContact CG2-CZ 4.4Å; T1150-Q1386 PolarHBondContact OG1-NE2 3.45Å; T1150-D1471 HydrophobicContact CG2-CB 4.23Å; T1150-D1471 PolarHBondContact O-N 3.28Å; T1150-T1474 HydrophobicContact CG2-CG2 4.43Å; T1150-T1474 WeakPolarHBondContact OG1-CG2 3.35Å
1151P69.6Low65.5Low42 Ų4240.5 Ų40.527%0.27321%0.209SC..BIsolated β-bridgetrans-68.6161.6175.330.1-34.8000110.9W1145 S1153W1145-P1151 HydrophobicContact CD2-CB 4.19Å; W1145-P1151 HydrophobicContact CH2-CB 4.4Å; W1145-P1151 HydrophobicContact CZ2-CB 3.99Å; P1151-S1153 VanDerWaalsContact C-N 3.32Å; P1151-S1153 PolarHBondContact O-N 3.12Å
1152F63.6Low67.6Low29 Ų2935 Ų3513%0.12718%0.18CC..SBendtrans-61.7-35.1179.9-174.2-99.1000114.1P1652 R1653 F1654 P1655 V1657F1152-P1652 HydrophobicContact CB-CB 4.31Å; F1152-P1652 HydrophobicContact CD1-CB 3.93Å; F1152-P1652 HydrophobicContact CD2-CB 4.45Å; F1152-P1652 HydrophobicContact CG-CB 3.92Å; F1152-R1653 WeakPolarHBondContact CE1-O 3.27Å; F1152-R1653 VanDerWaalsContact CZ-O 3.22Å; F1152-R1653 WeakPolarHBondContact CZ-O 3.44Å; F1152-F1654 WeakPolarHBondContact CZ-O 3.44Å; F1152-P1655 VanDerWaalsContact CE2-CA 3.41Å; F1152-P1655 HydrophobicContact CE2-CB 4.13Å; F1152-V1657 HydrophobicContact CE1-CG2 4.09Å; F1152-V1657 HydrophobicContact CE2-CG2 4.35Å; F1152-V1657 HydrophobicContact CZ-CG2 3.77Å
1153S62Low69.3Low26 Ų2633.5 Ų33.518%0.18218%0.175CC..SBendtrans-95.1124.5179.449.10000111.8P1151P1151-S1153 VanDerWaalsContact C-N 3.32Å; P1151-S1153 PolarHBondContact O-N 3.12Å
1154F63.3Low71Confident16 Ų1629.5 Ų29.57%0.0716%0.16CC..BIsolated β-bridgetrans-83.6123.2173-58.2-89.2000108.8R1132 T1150 A1157 Y1390 V1657R1132-F1154 WeakPolarHBondContact CA-O 3.49Å; T1150-F1154 HydrophobicContact CG2-CE1 3.98Å; T1150-F1154 HydrophobicContact CG2-CZ 4.4Å; F1154-A1157 HydrophobicContact CD1-CB 4.27Å; F1154-Y1390 HydrophobicContact CD1-CD2 4.06Å; F1154-Y1390 HydrophobicContact CD1-CE2 4.22Å; F1154-Y1390 HydrophobicContact CE1-CD2 4.19Å; F1154-Y1390 HydrophobicContact CG-CE2 4.35Å; F1154-V1657 HydrophobicContact CD2-CG2 4.49Å; F1154-V1657 HydrophobicContact CE2-CG2 4.29Å
1155N63.3Low72.9Confident56 Ų5627.2 Ų27.230%0.29915%0.147SC..SBendtrans-78.2-42.9165.1-80.2-34.7000109.7R1132 E1142R1132-N1155 WeakPolarHBondContact CD-O 3.28Å; R1132-N1155 VanDerWaalsContact CG-O 3.29Å; R1132-N1155 WeakPolarHBondContact CG-O 3.35Å; E1142-N1155 PolarHBondContact OE2-ND2 3.37Å; E1142-N1155 VanDerWaalsContact OE2-ND2 3.12Å
1156S69.8Low74.7Confident17 Ų1723.5 Ų23.512%0.11913%0.134CC..  trans-169167.9156.799.50000108.5D1127 S1128 R1372D1127-S1156 WeakPolarHBondContact OD1-CB 3.45Å; D1127-S1156 PolarHBondContact OD1-OG 3.05Å; D1127-S1156 PolarHBondContact OD2-OG 3.14Å; S1128-S1156 CarbonylContact O-C 3.55Å; S1128-S1156 WeakPolarHBondContact O-CA 3.31Å; S1128-S1156 WeakPolarHBondContact O-CB 3.28Å; S1156-R1372 PolarHBondContact O-NH1 3.26Å; S1156-R1372 PolarHBondContact OG-NH1 2.92Å; S1156-R1372 PolarHBondContact OG-NH2 3.29Å
1157A78Confident76.1Confident19 Ų1922.3 Ų22.316%0.15713%0.128CC..EExtended strand (participates in β ladder)trans-148160.9-18000000112.8S1128 F1154 Y1390S1128-A1157 WeakPolarHBondContact CB-O 3.42Å; S1128-A1157 PolarHBondContact N-O 3.44Å; S1128-A1157 PolarHBondContact O-N 2.86Å; F1154-A1157 HydrophobicContact CD1-CB 4.27Å; A1157-Y1390 HydrophobicContact CB-CD1 3.74Å; A1157-Y1390 HydrophobicContact CB-CD2 3.38Å; A1157-Y1390 HydrophobicContact CB-CE1 3.96Å; A1157-Y1390 HydrophobicContact CB-CE2 3.6Å; A1157-Y1390 HydrophobicContact CB-CG 3.43Å; A1157-Y1390 VanDerWaalsContact CB-CG 3.43Å
1158V84.2Confident77.5Confident15 Ų1520 Ų209%0.09112%0.119CC..EExtended strand (participates in β ladder)trans-77.4125.5-179.2-178.90000110.2I1125 V1365 M1368 A1387 Y1390I1125-V1158 HydrophobicContact CG2-CG1 3.39Å; V1158-V1365 HydrophobicContact CG1-CG1 4.29Å; V1158-M1368 HydrophobicContact CG2-CB 4.48Å; V1158-A1387 HydrophobicContact CB-CB 3.87Å; V1158-A1387 HydrophobicContact CG1-CB 4.07Å; V1158-Y1390 WeakPolarHBondContact O-CD1 3.42Å
1159H86.8Confident78.6Confident4 Ų419.5 Ų19.52%0.01912%0.117CC..EExtended strand (participates in β ladder)trans-114135.6177.5176.2-106000111I1125 Q1126 Y1390 H1793I1125-H1159 WeakPolarHBondContact CA-O 3.42Å; Q1126-H1159 HydrophobicContact CG-CB 4.39Å; Q1126-H1159 PolarHBondContact N-O 3.01Å; Q1126-H1159 PolarHBondContact O-N 3.24Å; H1159-Y1390 HydrophobicContact CB-CD1 4.22Å; H1159-Y1390 HydrophobicContact CB-CE1 4.11Å; H1159-H1793 AromaticContact CE1-CG 3.69Å; H1159-H1793 AromaticContact CE1-ND1 3.96Å; H1159-H1793 AromaticContact CG-CD2 3.62Å; H1159-H1793 AromaticContact CG-NE2 3.75Å; H1159-H1793 AromaticContact ND1-CD2 3.47Å; H1159-H1793 PolarHBondContact ND1-CD2 3.09Å; H1159-H1793 AromaticContact ND1-CG 3.52Å
1160L87.7Confident79.4Confident4 Ų424.3 Ų24.32%0.02114%0.139CC..EExtended strand (participates in β ladder)trans-110.4132176.6-177.186.8000111.2A1123 I1125 V1215 F1361 T1391 F1418A1123-L1160 HydrophobicContact CB-CD1 4.02Å; I1125-L1160 HydrophobicContact CD1-CD1 4.24Å; I1125-L1160 HydrophobicContact CG1-CD1 3.43Å; I1125-L1160 VanDerWaalsContact CG1-CD1 3.43Å; L1160-V1215 HydrophobicContact CD1-CG2 4.2Å; L1160-V1215 HydrophobicContact CD2-CG2 4.06Å; L1160-F1361 HydrophobicContact CD1-CE2 3.72Å; L1160-F1361 HydrophobicContact CD1-CZ 4.09Å; L1160-F1361 HydrophobicContact CD2-CZ 4.3Å; L1160-T1391 HydrophobicContact CB-CG2 4.28Å; L1160-T1391 PolarHBondContact N-OG1 3.22Å; L1160-T1391 VanDerWaalsContact O-CG2 3.29Å; L1160-T1391 WeakPolarHBondContact O-CG2 3.48Å; L1160-F1418 HydrophobicContact CB-CD1 4.2Å; L1160-F1418 HydrophobicContact CB-CE1 4.06Å; L1160-F1418 HydrophobicContact CD2-CB 3.56Å; L1160-F1418 HydrophobicContact CD2-CD1 3.34Å; L1160-F1418 HydrophobicContact CD2-CD2 4.12Å; L1160-F1418 HydrophobicContact CD2-CE1 3.94Å; L1160-F1418 HydrophobicContact CD2-CG 3.44Å; L1160-F1418 VanDerWaalsContact CD2-CG 3.44Å; L1160-F1418 HydrophobicContact CG-CD1 4.38Å
1161S85.9Confident80.2Confident17 Ų1724.7 Ų24.712%0.11914%0.142CC..EExtended strand (participates in β ladder)trans-130144.5168.957.50000111.4A1123 L1124A1123-S1161 CarbonylContact C-O 3.51Å; A1123-S1161 WeakPolarHBondContact CA-O 3.41Å; L1124-S1161 PolarHBondContact N-O 2.96Å; L1124-S1161 PolarHBondContact O-N 3.34Å; L1124-S1161 PolarHBondContact O-OG 3.43Å
1162T85.1Confident81.2Confident7 Ų723.9 Ų23.94%0.04313%0.134CC..EExtended strand (participates in β ladder)trans-126.1154.9174.371.30000110.2A1122 A1123 R1209 V1215 S1413 C1414A1122-T1162 WeakPolarHBondContact O-CA 3.48Å; A1122-T1162 WeakPolarHBondContact O-CB 3.49Å; A1123-T1162 HydrophobicContact CB-CG2 3.83Å; T1162-R1209 PolarHBondContact O-NH1 3.47Å; T1162-V1215 HydrophobicContact CG2-CG2 4.28Å; T1162-S1413 PolarHBondContact OG1-OG 3.38Å; T1162-C1414 HydrophobicContact CG2-CB 3.58Å; T1162-C1414 VanDerWaalsContact OG1-CB 3.31Å; T1162-C1414 WeakPolarHBondContact OG1-CB 3.44Å; T1162-C1414 PolarHBondContact OG1-N 2.92Å; T1162-C1414 VanDerWaalsContact OG1-N 3.16Å
1163C81.4Confident82.3Confident21 Ų2125.4 Ų25.414%0.14214%0.143CC..EExtended strand (participates in β ladder)trans-87.8-11.5170.258.70000113.9H1165 C1204 C1207 R1209C1163-H1165 VanDerWaalsContact C-N 3.29Å; C1163-H1165 PolarHBondContact O-N 2.92Å; C1163-H1165 PolarHBondContact SG-ND1 3.39Å; C1163-C1204 VanDerWaalsContact SG-SG 3.69Å; C1163-C1207 VanDerWaalsContact CB-SG 3.54Å; C1163-R1209 HydrophobicContact CB-CB 4.23Å
1164G79.4Confident83.4Confident25 Ų2527.4 Ų27.426%0.25816%0.162SC..EExtended strand (participates in β ladder)trans77.42.5-176.200000116.3Y1121 A1166 S1413Y1121-G1164 WeakPolarHBondContact CD1-O 3.49Å; Y1121-G1164 WeakPolarHBondContact CE1-O 3.26Å; G1164-A1166 PolarHBondContact O-N 2.85Å; G1164-S1413 WeakPolarHBondContact CA-OG 3.42Å
1165H85.1Confident84.5Confident52 Ų5229.6 Ų29.624%0.24117%0.17CC..EExtended strand (participates in β ladder)trans-78.7120.1171.9-60.7108.5000111V1104 C1163 L1206 C1207V1104-H1165 HydrophobicContact CG1-CB 3.88Å; V1104-H1165 HydrophobicContact CG2-CB 4.43Å; C1163-H1165 VanDerWaalsContact C-N 3.29Å; C1163-H1165 PolarHBondContact O-N 2.92Å; C1163-H1165 PolarHBondContact SG-ND1 3.39Å; H1165-L1206 WeakPolarHBondContact CD2-CD2 3.24Å; H1165-L1206 WeakPolarHBondContact NE2-CD2 3.37Å; H1165-C1207 WeakPolarHBondContact CE1-CB 3.22Å; H1165-C1207 VanDerWaalsContact CE1-SG 3.53Å; H1165-C1207 PolarHBondContact ND1-SG 3.23Å
1166A87Confident85.4Confident6 Ų629.4 Ų29.45%0.0517%0.166CC..EExtended strand (participates in β ladder)trans-85.4148.4-18000000111.6A1101 C1103 V1104 M1119 V1120 Y1121 G1164 L1217A1101-A1166 HydrophobicContact CB-CB 3.93Å; C1103-A1166 WeakPolarHBondContact CA-O 3.4Å; V1104-A1166 PolarHBondContact N-O 2.99Å; M1119-A1166 HydrophobicContact CE-CB 3.66Å; V1120-A1166 CarbonylContact O-C 3.49Å; V1120-A1166 WeakPolarHBondContact O-CA 3.38Å; Y1121-A1166 HydrophobicContact CD1-CB 4.16Å; Y1121-A1166 HydrophobicContact CE1-CB 3.87Å; G1164-A1166 PolarHBondContact O-N 2.85Å; A1166-L1217 HydrophobicContact CB-CD2 4.39Å
1167M90.3Very high85.8Confident0 Ų031 Ų310%018%0.18CC..EExtended strand (participates in β ladder)trans-141.4149.6175.8-65.2171.8-66.800108.5V1104 L1105 M1119 V1120 A1122 W1172 P1205V1104-M1167 HydrophobicContact CG2-CG 3.55Å; V1104-M1167 HydrophobicContact CG2-SD 4.2Å; L1105-M1167 HydrophobicContact CD1-CB 4.32Å; L1105-M1167 HydrophobicContact CD1-CG 4.02Å; L1105-M1167 HydrophobicContact CD1-SD 3.79Å; L1105-M1167 HydrophobicContact CG-CG 4.26Å; L1105-M1167 HydrophobicContact CG-SD 4.26Å; M1119-M1167 CarbonylContact C-O 3.53Å; M1119-M1167 WeakPolarHBondContact CA-O 3.48Å; V1120-M1167 HydrophobicContact CG2-CB 4.35Å; V1120-M1167 PolarHBondContact N-O 3.09Å; V1120-M1167 PolarHBondContact O-N 3.5Å; A1122-M1167 HydrophobicContact CB-CE 3.76Å; M1167-W1172 HydrophobicContact CB-CB 4.33Å; M1167-W1172 HydrophobicContact CE-CB 4.36Å; M1167-W1172 HydrophobicContact CE-CG 4.3Å; M1167-W1172 HydrophobicContact SD-CB 4.45Å; M1167-P1205 HydrophobicContact SD-CG 4.07Å
1168H91.3Very high85.8Confident0 Ų031.5 Ų31.50%019%0.188CC..EExtended strand (participates in β ladder)trans-63.7143.3164.4-56.9121.7000110.1C1103 C1106 E1108 D1110 L1118 E1170 C1171 W1172C1103-H1168 VanDerWaalsContact CB-CE1 3.44Å; C1103-H1168 WeakPolarHBondContact CB-CE1 3.35Å; C1103-H1168 WeakPolarHBondContact CB-ND1 3.49Å; C1103-H1168 PolarHBondContact SG-N 2.89Å; C1103-H1168 PolarHBondContact SG-ND1 3.33Å; C1106-H1168 PolarHBondContact SG-CE1 2.87Å; C1106-H1168 PolarHBondContact SG-ND1 2.85Å; E1108-H1168 IonicContact OE2-CE1 4Å; D1110-H1168 IonicContact OD2-CD2 3.23Å; D1110-H1168 IonicContact OD2-CE1 2.75Å; D1110-H1168 PolarHBondContact OD2-CE1 3.46Å; D1110-H1168 IonicContact OD2-NE2 3.95Å; D1110-H1168 PolarHBondContact OD2-NE2 2.91Å; L1118-H1168 WeakPolarHBondContact O-CA 3.27Å; H1168-E1170 PolarHBondContact O-N 3.22Å; H1168-C1171 HydrophobicContact CB-CB 4Å; H1168-C1171 PolarHBondContact O-N 3.5Å; H1168-C1171 VanDerWaalsContact O-N 3.14Å; H1168-W1172 PolarHBondContact O-N 2.88Å
1169W89.5Confident85.2Confident35 Ų3532.2 Ų32.213%0.13319%0.191CC..Hα-helixtrans-52.4-42173.1170.2-107.6000112.2L1118 V1120 W1172 N1173 V1214 T1356 A1357 A1360L1118-W1169 HydrophobicContact CB-CB 3.98Å; L1118-W1169 HydrophobicContact CD2-CB 3.6Å; L1118-W1169 HydrophobicContact CD2-CD2 3.97Å; L1118-W1169 HydrophobicContact CD2-CE3 4.41Å; L1118-W1169 HydrophobicContact CD2-CG 3.63Å; L1118-W1169 HydrophobicContact CG-CB 3.7Å; L1118-W1169 HydrophobicContact CG-CG 4.29Å; L1118-W1169 PolarHBondContact O-N 3.41Å; V1120-W1169 HydrophobicContact CG1-CB 4.35Å; V1120-W1169 HydrophobicContact CG1-CE3 3.89Å; W1169-W1172 HydrophobicContact CE3-CE3 4.13Å; W1169-W1172 HydrophobicContact CE3-CZ3 4.28Å; W1169-W1172 HydrophobicContact CH2-CZ3 4.15Å; W1169-W1172 HydrophobicContact CZ3-CE3 4.09Å; W1169-W1172 AromaticContact CZ3-CZ3 3.78Å; W1169-W1172 HydrophobicContact CZ3-CZ3 3.78Å; W1169-N1173 PolarHBondContact NE1-ND2 3.25Å; W1169-N1173 VanDerWaalsContact NE1-ND2 3.17Å; W1169-N1173 WeakPolarHBondContact O-CB 3.33Å; W1169-N1173 PolarHBondContact O-N 3.47Å; W1169-N1173 PolarHBondContact O-ND2 2.85Å; W1169-V1214 HydrophobicContact CE3-CG2 4.34Å; W1169-V1214 HydrophobicContact CZ3-CG2 3.86Å; W1169-T1356 HydrophobicContact CZ2-CG2 4.48Å; W1169-A1357 HydrophobicContact CD2-CB 4.24Å; W1169-A1357 HydrophobicContact CE3-CB 3.79Å; W1169-A1357 HydrophobicContact CH2-CB 4Å; W1169-A1357 HydrophobicContact CZ2-CB 4.43Å; W1169-A1357 HydrophobicContact CZ3-CB 3.65Å; W1169-A1360 HydrophobicContact CH2-CB 4.32Å
1170E90.1Very high84.3Confident103 Ų10334 Ų3448%0.48121%0.206SC..Hα-helixtrans-65.9-46.6176.7-64169.2178.200112.2R1117 H1168 W1172 N1173 A1174R1117-E1170 IonicContact CZ-OE2 3.73Å; R1117-E1170 IonicContact NE-OE2 3.86Å; R1117-E1170 PolarHBondContact NE-OE2 2.75Å; R1117-E1170 IonicContact NH2-OE2 2.83Å; R1117-E1170 PolarHBondContact NH2-OE2 3.48Å; H1168-E1170 PolarHBondContact O-N 3.22Å; E1170-W1172 PolarHBondContact O-N 3.33Å; E1170-N1173 PolarHBondContact O-N 2.98Å; E1170-A1174 WeakPolarHBondContact O-CB 3.29Å; E1170-A1174 PolarHBondContact O-N 3.39Å
1171C91.3Very high83.1Confident24 Ų2439.5 Ų39.516%0.16223%0.232CC..Hα-helixtrans-63-42.3178.3-67.10000111.4L1105 H1168 A1174 Y1175L1105-C1171 HydrophobicContact CB-CB 3.94Å; L1105-C1171 HydrophobicContact CD1-CB 3.67Å; L1105-C1171 WeakPolarHBondContact CD1-O 3.31Å; L1105-C1171 HydrophobicContact CG-CB 4.47Å; H1168-C1171 HydrophobicContact CB-CB 4Å; H1168-C1171 PolarHBondContact O-N 3.5Å; H1168-C1171 VanDerWaalsContact O-N 3.14Å; C1171-A1174 PolarHBondContact O-N 3.47Å; C1171-Y1175 VanDerWaalsContact O-CB 3.29Å; C1171-Y1175 WeakPolarHBondContact O-CB 3.15Å; C1171-Y1175 PolarHBondContact O-N 3.22Å
1172W89.4Confident82Confident25 Ų2544.5 Ų44.510%0.09525%0.253CS..Hα-helixtrans-64.5-46175.5172.377000111.8V1120 M1167 H1168 W1169 E1170 A1174 Y1175 F1176 Y1202 V1214V1120-W1172 HydrophobicContact CG2-CB 4.19Å; V1120-W1172 HydrophobicContact CG2-CG 4.49Å; M1167-W1172 HydrophobicContact CB-CB 4.33Å; M1167-W1172 HydrophobicContact CE-CB 4.36Å; M1167-W1172 HydrophobicContact CE-CG 4.3Å; M1167-W1172 HydrophobicContact SD-CB 4.45Å; H1168-W1172 PolarHBondContact O-N 2.88Å; W1169-W1172 HydrophobicContact CE3-CE3 4.13Å; W1169-W1172 HydrophobicContact CE3-CZ3 4.28Å; W1169-W1172 HydrophobicContact CH2-CZ3 4.15Å; W1169-W1172 HydrophobicContact CZ3-CE3 4.09Å; W1169-W1172 AromaticContact CZ3-CZ3 3.78Å; W1169-W1172 HydrophobicContact CZ3-CZ3 3.78Å; E1170-W1172 PolarHBondContact O-N 3.33Å; W1172-A1174 VanDerWaalsContact C-N 3.3Å; W1172-A1174 PolarHBondContact O-N 2.98Å; W1172-Y1175 PolarHBondContact O-N 2.88Å; W1172-F1176 HydrophobicContact CZ2-CB 4.29Å; W1172-F1176 HydrophobicContact CZ2-CD2 4.3Å; W1172-F1176 HydrophobicContact CZ2-CG 4.14Å; W1172-F1176 VanDerWaalsContact O-CB 3.26Å; W1172-F1176 WeakPolarHBondContact O-CB 3.29Å; W1172-F1176 PolarHBondContact O-N 2.61Å; W1172-Y1202 AromaticContact CD1-CZ 3.97Å; W1172-Y1202 HydrophobicContact CZ2-CE1 4.28Å; W1172-Y1202 AromaticContact NE1-CE1 3.58Å; W1172-Y1202 AromaticContact NE1-CE2 3.62Å; W1172-Y1202 AromaticContact NE1-CZ 3.2Å; W1172-Y1202 PolarHBondContact NE1-OH 2.88Å; W1172-V1214 HydrophobicContact CD2-CG1 3.61Å; W1172-V1214 HydrophobicContact CD2-CG2 4.17Å; W1172-V1214 HydrophobicContact CE3-CG1 4.29Å; W1172-V1214 HydrophobicContact CE3-CG2 4Å; W1172-V1214 HydrophobicContact CG-CG1 3.81Å; W1172-V1214 HydrophobicContact CH2-CG2 3.94Å; W1172-V1214 HydrophobicContact CZ2-CG1 3.9Å; W1172-V1214 HydrophobicContact CZ2-CG2 4.12Å; W1172-V1214 HydrophobicContact CZ3-CG2 3.88Å
1173N86.4Confident80.6Confident61 Ų6149 Ų4933%0.32627%0.274SS..Hα-helixtrans-57.7-43.2176.6-85-37.1000111.7W1169 E1170 A1177W1169-N1173 PolarHBondContact NE1-ND2 3.25Å; W1169-N1173 VanDerWaalsContact NE1-ND2 3.17Å; W1169-N1173 WeakPolarHBondContact O-CB 3.33Å; W1169-N1173 PolarHBondContact O-N 3.47Å; W1169-N1173 PolarHBondContact O-ND2 2.85Å; E1170-N1173 PolarHBondContact O-N 2.98Å; N1173-A1177 WeakPolarHBondContact O-CB 3.25Å; N1173-A1177 PolarHBondContact O-N 3.24Å
1174A86.7Confident79.1Confident69 Ų6955.2 Ų55.257%0.5730%0.301SS*.Hα-helixtrans-65.5-44.3175.900000112.2E1170 C1171 W1172 G1178E1170-A1174 WeakPolarHBondContact O-CB 3.29Å; E1170-A1174 PolarHBondContact O-N 3.39Å; C1171-A1174 PolarHBondContact O-N 3.47Å; W1172-A1174 VanDerWaalsContact C-N 3.3Å; W1172-A1174 PolarHBondContact O-N 2.98Å; A1174-G1178 PolarHBondContact O-N 3.32Å
1175Y86Confident77.7Confident62 Ų6261.8 Ų61.824%0.24332%0.324CS..Hα-helixtrans-61.5-48177175.7-109.6000112L1105 C1171 W1172 G1178 I1179 Y1202 L1203 P1205L1105-Y1175 HydrophobicContact CD1-CG 4.35Å; L1105-Y1175 HydrophobicContact CD2-CD2 4.09Å; L1105-Y1175 HydrophobicContact CD2-CG 4.21Å; C1171-Y1175 VanDerWaalsContact O-CB 3.29Å; C1171-Y1175 WeakPolarHBondContact O-CB 3.15Å; C1171-Y1175 PolarHBondContact O-N 3.22Å; W1172-Y1175 PolarHBondContact O-N 2.88Å; Y1175-G1178 PolarHBondContact O-N 3.12Å; Y1175-I1179 HydrophobicContact CD1-CD1 4.1Å; Y1175-I1179 HydrophobicContact CE1-CD1 3.5Å; Y1175-I1179 HydrophobicContact CE2-CD1 4.22Å; Y1175-I1179 HydrophobicContact CE2-CG1 4.49Å; Y1175-I1179 PolarHBondContact O-N 2.75Å; Y1175-Y1202 HydrophobicContact CE1-CD2 4.11Å; Y1175-L1203 WeakPolarHBondContact CE1-O 3.31Å; Y1175-L1203 PolarHBondContact OH-O 3.07Å; Y1175-L1203 VanDerWaalsContact OH-O 3.07Å; Y1175-P1205 HydrophobicContact CD1-CG 4.16Å; Y1175-P1205 HydrophobicContact CE1-CG 3.82Å; Y1175-P1205 HydrophobicContact CE2-CG 4.24Å; Y1175-P1205 HydrophobicContact CG-CG 4.49Å
1176F82.6Confident75.7Confident51 Ų5164.8 Ų64.822%0.22434%0.338CS..Hα-helixtrans-65-44179.6-178.2-97.5000111.9W1172 G1178 I1179 A1180 P1200 Y1202W1172-F1176 HydrophobicContact CZ2-CB 4.29Å; W1172-F1176 HydrophobicContact CZ2-CD2 4.3Å; W1172-F1176 HydrophobicContact CZ2-CG 4.14Å; W1172-F1176 VanDerWaalsContact O-CB 3.26Å; W1172-F1176 WeakPolarHBondContact O-CB 3.29Å; W1172-F1176 PolarHBondContact O-N 2.61Å; F1176-G1178 VanDerWaalsContact C-N 3.28Å; F1176-G1178 PolarHBondContact O-N 3.25Å; F1176-I1179 PolarHBondContact O-N 3.47Å; F1176-A1180 PolarHBondContact O-N 3.39Å; F1176-A1180 VanDerWaalsContact O-N 3.09Å; F1176-P1200 HydrophobicContact CE2-CB 4.39Å; F1176-P1200 HydrophobicContact CE2-CG 4.22Å; F1176-P1200 HydrophobicContact CZ-CB 4.03Å; F1176-P1200 HydrophobicContact CZ-CG 3.53Å; F1176-Y1202 AromaticContact CD2-CD1 3.89Å; F1176-Y1202 HydrophobicContact CD2-CD1 3.89Å; F1176-Y1202 HydrophobicContact CD2-CG 4.19Å; F1176-Y1202 HydrophobicContact CE2-CD1 4.13Å
1177A77.8Confident73Confident50 Ų5066.8 Ų66.841%0.41336%0.36SS..Hα-helixtrans-61.4-36.5172.900000112.4N1173 A1180 Q1181N1173-A1177 WeakPolarHBondContact O-CB 3.25Å; N1173-A1177 PolarHBondContact O-N 3.24Å; A1177-A1180 PolarHBondContact O-N 3.48Å; A1177-Q1181 PolarHBondContact O-N 2.98Å
1178G77.1Confident70.4Confident31 Ų3174.4 Ų74.432%0.3239%0.393SS..Hα-helixtrans-63.9-42.3175.100000113.3A1174 Y1175 F1176 Q1181 Q1182A1174-G1178 PolarHBondContact O-N 3.32Å; Y1175-G1178 PolarHBondContact O-N 3.12Å; F1176-G1178 VanDerWaalsContact C-N 3.28Å; F1176-G1178 PolarHBondContact O-N 3.25Å; G1178-Q1181 PolarHBondContact O-N 2.82Å; G1178-Q1182 WeakPolarHBondContact O-CB 3.35Å; G1178-Q1182 PolarHBondContact O-N 3.42Å
1179I72.9Confident67.6Low30 Ų3083 Ų8315%0.15444%0.436CS..Hα-helixtrans-60.6-48.9173.3-67.3171.7000110.2Y1175 F1176 Q1181 Q1182 E1183Y1175-I1179 HydrophobicContact CD1-CD1 4.1Å; Y1175-I1179 HydrophobicContact CE1-CD1 3.5Å; Y1175-I1179 HydrophobicContact CE2-CD1 4.22Å; Y1175-I1179 HydrophobicContact CE2-CG1 4.49Å; Y1175-I1179 PolarHBondContact O-N 2.75Å; F1176-I1179 PolarHBondContact O-N 3.47Å; I1179-Q1181 PolarHBondContact O-N 3.31Å; I1179-Q1182 PolarHBondContact O-N 3.25Å; I1179-Q1182 VanDerWaalsContact O-N 3.11Å; I1179-E1183 HydrophobicContact CG2-CG 4.34Å; I1179-E1183 WeakPolarHBondContact O-CG 3.25Å; I1179-E1183 PolarHBondContact O-N 2.94Å
1180A66.5Low64.9Low40 Ų4090.6 Ų90.633%0.33146%0.464SS..Hα-helixtrans-59.3-34179.600000112.6F1176 A1177 Q1184F1176-A1180 PolarHBondContact O-N 3.39Å; F1176-A1180 VanDerWaalsContact O-N 3.09Å; A1177-A1180 PolarHBondContact O-N 3.48Å; A1180-Q1184 WeakPolarHBondContact O-CG 3.45Å; A1180-Q1184 PolarHBondContact O-N 3.4Å
1181Q63.2Low62.1Low121 Ų12193.4 Ų93.457%0.56547%0.471SS*.Hα-helixtrans-73.8-42.5172.8-75.8-177.3-500113.1A1177 G1178 I1179 E1183 Q1184 H1185A1177-Q1181 PolarHBondContact O-N 2.98Å; G1178-Q1181 PolarHBondContact O-N 2.82Å; I1179-Q1181 PolarHBondContact O-N 3.31Å; Q1181-E1183 VanDerWaalsContact C-N 3.3Å; Q1181-E1183 PolarHBondContact O-N 2.81Å; Q1181-Q1184 WeakPolarHBondContact O-CB 3.47Å; Q1181-Q1184 PolarHBondContact O-N 3.38Å; Q1181-Q1184 VanDerWaalsContact O-N 3.1Å; Q1181-H1185 PolarHBondContact O-N 2.92Å; Q1181-H1185 VanDerWaalsContact O-N 3.12Å
1182Q62.2Low59.1Low121 Ų12194.7 Ų94.757%0.56548%0.48SS*.Hα-helixtrans-61.2-40.3178.3-173.9176-300111.4G1178 I1179 Q1184 H1185 Q1186G1178-Q1182 WeakPolarHBondContact O-CB 3.35Å; G1178-Q1182 PolarHBondContact O-N 3.42Å; I1179-Q1182 PolarHBondContact O-N 3.25Å; I1179-Q1182 VanDerWaalsContact O-N 3.11Å; Q1182-Q1184 VanDerWaalsContact C-N 3.33Å; Q1182-Q1184 PolarHBondContact O-N 2.82Å; Q1182-H1185 PolarHBondContact O-N 3.06Å; Q1182-Q1186 PolarHBondContact O-N 3.29Å; Q1182-Q1186 VanDerWaalsContact O-N 3.14Å
1183E55.5Low56.4Low102 Ų10296.5 Ų96.548%0.47750%0.496SS..Hα-helixtrans-66.4-30.7174.1-70.9-175.4164.600112.8I1179 Q1181I1179-E1183 HydrophobicContact CG2-CG 4.34Å; I1179-E1183 WeakPolarHBondContact O-CG 3.25Å; I1179-E1183 PolarHBondContact O-N 2.94Å; Q1181-E1183 VanDerWaalsContact C-N 3.3Å; Q1181-E1183 PolarHBondContact O-N 2.81Å
1184Q51.6Low53.8Low152 Ų15295.8 Ų95.871%0.7149%0.492SS*.Hα-helixtrans-70.2-30.2172.2-76.2178.54.800113.2A1180 Q1181 Q1182A1180-Q1184 WeakPolarHBondContact O-CG 3.45Å; A1180-Q1184 PolarHBondContact O-N 3.4Å; Q1181-Q1184 WeakPolarHBondContact O-CB 3.47Å; Q1181-Q1184 PolarHBondContact O-N 3.38Å; Q1181-Q1184 VanDerWaalsContact O-N 3.1Å; Q1182-Q1184 VanDerWaalsContact C-N 3.33Å; Q1182-Q1184 PolarHBondContact O-N 2.82Å
1185H49.7Very low51.3Low163 Ų16395.7 Ų95.776%0.75548%0.484SS*.Hα-helixtrans-87.3-23.4-177.8-76.2-18.2000114.6Q1181 Q1182 G1187Q1181-H1185 PolarHBondContact O-N 2.92Å; Q1181-H1185 VanDerWaalsContact O-N 3.12Å; Q1182-H1185 PolarHBondContact O-N 3.06Å; H1185-G1187 PolarHBondContact O-N 3.1Å
1186Q43.1Very low48.7Very low114 Ų11498.1 Ų98.153%0.53351%0.508SS..SBendtrans-71.5104.8172.2-72.8-172-5.300109.7Q1182Q1182-Q1186 PolarHBondContact O-N 3.29Å; Q1182-Q1186 VanDerWaalsContact O-N 3.14Å
1187G30.5Very low46.6Very low49 Ų4997.1 Ų97.151%0.50551%0.506SS..  trans-57.4167.5-174.300000115.4H1185 M1189 W1190H1185-G1187 PolarHBondContact O-N 3.1Å; G1187-M1189 PolarHBondContact O-N 3.32Å; G1187-W1190 PolarHBondContact O-N 3.33Å
1188F35.8Very low44.9Very low160 Ų160102 Ų10270%0.70253%0.525SS*.G310 helixtrans-41.7-22.7-174.8-113.1-96.2000117.4W1190 R1191F1188-W1190 PolarHBondContact O-N 3.47Å; F1188-R1191 WeakPolarHBondContact O-CB 3.46Å; F1188-R1191 PolarHBondContact O-N 3.33Å
1189M31.8Very low43.8Very low180 Ų180101.4 Ų101.489%0.88752%0.515SS*.G310 helixtrans-66.2-23-176-137.3-176.9-7300113.6G1187G1187-M1189 PolarHBondContact O-N 3.32Å
1190W33.4Very low43.4Very low194 Ų194103 Ų10374%0.73553%0.528SS*.G310 helixtrans-108.98.7177-6298000113.4G1187 F1188 S1192 S1193G1187-W1190 PolarHBondContact O-N 3.33Å; F1188-W1190 PolarHBondContact O-N 3.47Å; W1190-S1192 PolarHBondContact O-N 2.88Å; W1190-S1193 WeakPolarHBondContact O-CB 3.25Å; W1190-S1193 PolarHBondContact O-N 2.99Å
1191R29.8Very low43.8Very low163 Ų163101.9 Ų101.962%0.61552%0.516SS*.THydrogen-bonded Turntrans-71.927.9178.9-82.6-167.4-177.8-162.41115.4F1188 S1193F1188-R1191 WeakPolarHBondContact O-CB 3.46Å; F1188-R1191 PolarHBondContact O-N 3.33Å; R1191-S1193 VanDerWaalsContact C-N 3.31Å
1192S29.7Very low44.7Very low51 Ų5196.3 Ų96.336%0.35749%0.49SS..THydrogen-bonded Turntrans-83.7-18.4150.3-61.80000111.2W1190 I1194 I1811 L1813W1190-S1192 PolarHBondContact O-N 2.88Å; S1192-I1194 PolarHBondContact O-N 2.99Å; S1192-I1811 WeakPolarHBondContact O-CG2 3.5Å; S1192-L1813 WeakPolarHBondContact OG-CD1 3.37Å
1193S33.1Very low45.7Very low62 Ų6292 Ų9243%0.43447%0.47SS..SBendtrans-64.7112.7-179.2-166.50000111.9W1190 R1191W1190-S1193 WeakPolarHBondContact O-CB 3.25Å; W1190-S1193 PolarHBondContact O-N 2.99Å; R1191-S1193 VanDerWaalsContact C-N 3.31Å
1194I31.7Very low47Very low46 Ų4687.1 Ų87.124%0.23645%0.448CS..  trans65.397.3162.3-51163000112.5S1192 P1196S1192-I1194 PolarHBondContact O-N 2.99Å; I1194-P1196 VanDerWaalsContact O-N 3.11Å
1195T33.1Very low48.4Very low67 Ų6781.1 Ų81.141%0.41142%0.422SS..  trans-45.8124.6147.742.30000106.2T1197T1195-T1197 VanDerWaalsContact C-N 3.31Å; T1195-T1197 PolarHBondContact O-N 2.88Å
1196P31.8Very low49.9Very low114 Ų11478.5 Ų78.574%0.7441%0.413SS*.  trans-53105.417719.3-29.7000106.8I1194 D1198I1194-P1196 VanDerWaalsContact O-N 3.11Å; P1196-D1198 PolarHBondContact O-N 3Å
1197T39Very low51.6Low29 Ų2975.5 Ų75.518%0.17840%0.404CS..  trans-69126.4171.8440000104.6T1195 P1199 P1200T1195-T1197 VanDerWaalsContact C-N 3.31Å; T1195-T1197 PolarHBondContact O-N 2.88Å; T1197-P1199 VanDerWaalsContact C-C 3.46Å; T1197-P1199 CarbonylContact C-O 3.56Å; T1197-P1199 VanDerWaalsContact CB-O 3.23Å; T1197-P1199 WeakPolarHBondContact CB-O 3.42Å; T1197-P1199 CarbonylContact O-C 3.59Å; T1197-P1199 WeakPolarHBondContact O-CA 3.34Å; T1197-P1199 VanDerWaalsContact O-O 3.11Å; T1197-P1199 PolarHBondContact OG1-O 3.12Å; T1197-P1200 WeakPolarHBondContact O-CA 3.44Å
1198D42.8Very low54Low153 Ų15377.6 Ų77.682%0.81840%0.399SS*.SBendtrans-95.6103.1162-163.4-2.1000104.7P1196P1196-D1198 PolarHBondContact O-N 3Å
1199P52.6Low56.1Low18 Ų1873.3 Ų73.312%0.11738%0.378CS..SBendcis-89.6154.87.534.1-33.8000115.7T1197 N1212 M1368T1197-P1199 VanDerWaalsContact C-C 3.46Å; T1197-P1199 CarbonylContact C-O 3.56Å; T1197-P1199 VanDerWaalsContact CB-O 3.23Å; T1197-P1199 WeakPolarHBondContact CB-O 3.42Å; T1197-P1199 CarbonylContact O-C 3.59Å; T1197-P1199 WeakPolarHBondContact O-CA 3.34Å; T1197-P1199 VanDerWaalsContact O-O 3.11Å; T1197-P1199 PolarHBondContact OG1-O 3.12Å; P1199-N1212 HydrophobicContact CG-CB 4.39Å; P1199-M1368 HydrophobicContact CG-CE 4.14Å
1200P65Low58.5Low64 Ų6464.8 Ų64.842%0.41634%0.336SS..PPolyproline II helixtrans-67.3138.5179.924.8-35.7000113.6F1176 T1197F1176-P1200 HydrophobicContact CE2-CB 4.39Å; F1176-P1200 HydrophobicContact CE2-CG 4.22Å; F1176-P1200 HydrophobicContact CZ-CB 4.03Å; F1176-P1200 HydrophobicContact CZ-CG 3.53Å; T1197-P1200 WeakPolarHBondContact O-CA 3.44Å
1201E74.6Confident60.9Low17 Ų1755.6 Ų55.68%0.07930%0.301CS..PPolyproline II helixtrans-93.3147.2-179.3-61.2176.4164.900112.4I1210 S1211 N1212 R1751E1201-I1210 HydrophobicContact CB-CG1 4.48Å; E1201-I1210 WeakPolarHBondContact OE2-CD1 3.44Å; E1201-S1211 CarbonylContact C-O 3.59Å; E1201-S1211 WeakPolarHBondContact CA-O 3.05Å; E1201-N1212 HydrophobicContact CG-CB 4.43Å; E1201-R1751 IonicContact OE2-NE 2.85Å; E1201-R1751 PolarHBondContact OE2-NE 3.48Å
1202Y81.3Confident63.3Low3 Ų348.5 Ų48.51%0.01228%0.276CS..EExtended strand (participates in β ladder)trans-140.7163.1173.371.3-86.3000111.1A1122 W1172 Y1175 F1176 S1211 T1213 V1214A1122-Y1202 HydrophobicContact CB-CE2 4.28Å; W1172-Y1202 AromaticContact CD1-CZ 3.97Å; W1172-Y1202 HydrophobicContact CZ2-CE1 4.28Å; W1172-Y1202 AromaticContact NE1-CE1 3.58Å; W1172-Y1202 AromaticContact NE1-CE2 3.62Å; W1172-Y1202 AromaticContact NE1-CZ 3.2Å; W1172-Y1202 PolarHBondContact NE1-OH 2.88Å; Y1175-Y1202 HydrophobicContact CE1-CD2 4.11Å; F1176-Y1202 AromaticContact CD2-CD1 3.89Å; F1176-Y1202 HydrophobicContact CD2-CD1 3.89Å; F1176-Y1202 HydrophobicContact CD2-CG 4.19Å; F1176-Y1202 HydrophobicContact CE2-CD1 4.13Å; Y1202-S1211 WeakPolarHBondContact CD1-O 3.45Å; Y1202-S1211 VanDerWaalsContact CZ-CB 3.43Å; Y1202-S1211 PolarHBondContact N-O 2.86Å; Y1202-S1211 PolarHBondContact O-N 3.35Å; Y1202-T1213 PolarHBondContact OH-O 3.29Å; Y1202-V1214 VanDerWaalsContact OH-CG1 3.22Å; Y1202-V1214 WeakPolarHBondContact OH-CG1 3.43Å
1203L83.5Confident66Low31 Ų3146.4 Ų46.416%0.16226%0.261CS..EExtended strand (participates in β ladder)trans-100.3139.8176.3-59.1-177.7000110.7Y1175 I1210 V1800Y1175-L1203 WeakPolarHBondContact CE1-O 3.31Å; Y1175-L1203 PolarHBondContact OH-O 3.07Å; Y1175-L1203 VanDerWaalsContact OH-O 3.07Å; L1203-I1210 HydrophobicContact CD2-CB 4.22Å; L1203-V1800 HydrophobicContact CD1-CG1 4.32Å; L1203-V1800 HydrophobicContact CD2-CG1 3.88Å; L1203-V1800 HydrophobicContact CD2-CG2 4.19Å
1204C83.4Confident68.6Low0 Ų043.5 Ų43.50%024%0.241CC..  trans-58.6129.5171.1176.40000110A1122 C1163 L1206 K1208 R1209A1122-C1204 HydrophobicContact CB-CB 4.49Å; C1163-C1204 VanDerWaalsContact SG-SG 3.69Å; C1204-L1206 VanDerWaalsContact C-N 3.27Å; C1204-L1206 PolarHBondContact O-N 3.21Å; C1204-K1208 WeakPolarHBondContact O-CA 3.31Å; C1204-K1208 PolarHBondContact O-N 3.13Å; C1204-R1209 HydrophobicContact CB-CB 4.43Å; C1204-R1209 WeakPolarHBondContact CB-O 3.33Å; C1204-R1209 PolarHBondContact N-O 3.42Å
1205P80.6Confident71.2Confident26 Ų2641.3 Ų41.317%0.16923%0.229CC..THydrogen-bonded Turntrans-56-39.4-176.2-25.531.6000113.8V1104 L1105 M1167 Y1175 K1208V1104-P1205 HydrophobicContact CG2-CB 4.49Å; V1104-P1205 HydrophobicContact CG2-CG 4.45Å; L1105-P1205 HydrophobicContact CD1-CG 4.46Å; L1105-P1205 HydrophobicContact CD2-CB 3.79Å; L1105-P1205 HydrophobicContact CD2-CG 3.47Å; L1105-P1205 VanDerWaalsContact CD2-CG 3.47Å; L1105-P1205 HydrophobicContact CG-CG 3.98Å; M1167-P1205 HydrophobicContact SD-CG 4.07Å; Y1175-P1205 HydrophobicContact CD1-CG 4.16Å; Y1175-P1205 HydrophobicContact CE1-CG 3.82Å; Y1175-P1205 HydrophobicContact CE2-CG 4.24Å; Y1175-P1205 HydrophobicContact CG-CG 4.49Å; P1205-K1208 PolarHBondContact O-NZ 3.09Å; P1205-K1208 VanDerWaalsContact O-NZ 3.09Å
1206L81.5Confident73.8Confident107 Ų10738.1 Ų38.156%0.5621%0.21SC*.THydrogen-bonded Turntrans-84.6-61-175.5-160.979.7000112.7V1104 H1165 C1204V1104-L1206 HydrophobicContact CB-CB 4.19Å; V1104-L1206 HydrophobicContact CG1-CB 4.15Å; V1104-L1206 HydrophobicContact CG1-CD2 4Å; V1104-L1206 HydrophobicContact CG1-CG 4.47Å; H1165-L1206 WeakPolarHBondContact CD2-CD2 3.24Å; H1165-L1206 WeakPolarHBondContact NE2-CD2 3.37Å; C1204-L1206 VanDerWaalsContact C-N 3.27Å; C1204-L1206 PolarHBondContact O-N 3.21Å
1207C78.2Confident76.3Confident51 Ų5132.9 Ų32.935%0.34518%0.175SC..THydrogen-bonded Turntrans-95-2.7-172.469.80000115.2C1163 H1165 R1209C1163-C1207 VanDerWaalsContact CB-SG 3.54Å; H1165-C1207 WeakPolarHBondContact CE1-CB 3.22Å; H1165-C1207 VanDerWaalsContact CE1-SG 3.53Å; H1165-C1207 PolarHBondContact ND1-SG 3.23Å; C1207-R1209 PolarHBondContact O-N 3.16Å; C1207-R1209 WeakPolarHBondContact SG-CB 3.21Å
1208K80.9Confident78Confident94 Ų9431.5 Ų31.541%0.40917%0.167SC..  trans57.117.7-176.9-51-60.3-178.4-167.10114.9C1204 P1205C1204-K1208 WeakPolarHBondContact O-CA 3.31Å; C1204-K1208 PolarHBondContact O-N 3.13Å; P1205-K1208 PolarHBondContact O-NZ 3.09Å; P1205-K1208 VanDerWaalsContact O-NZ 3.09Å
1209R80.8Confident79.3Confident70 Ų7024.6 Ų24.626%0.26413%0.13SC..  trans-64.4135170.9-177.5173.1-66.3-166.7-26.1109.8T1162 C1163 C1204 C1207 E1797T1162-R1209 PolarHBondContact O-NH1 3.47Å; C1163-R1209 HydrophobicContact CB-CB 4.23Å; C1204-R1209 HydrophobicContact CB-CB 4.43Å; C1204-R1209 WeakPolarHBondContact CB-O 3.33Å; C1204-R1209 PolarHBondContact N-O 3.42Å; C1207-R1209 PolarHBondContact O-N 3.16Å; C1207-R1209 WeakPolarHBondContact SG-CB 3.21Å; R1209-E1797 WeakPolarHBondContact CD-OE1 3.41Å; R1209-E1797 HydrophobicContact CG-CG 4.03Å; R1209-E1797 IonicContact CZ-OE1 2.78Å; R1209-E1797 IonicContact CZ-OE2 3.93Å; R1209-E1797 IonicContact NE-OE1 3.09Å; R1209-E1797 PolarHBondContact NE-OE1 3.2Å; R1209-E1797 IonicContact NE-OE2 3.29Å; R1209-E1797 PolarHBondContact NE-OE2 2.92Å; R1209-E1797 IonicContact NH1-OE1 3.65Å; R1209-E1797 VanDerWaalsContact NH2-CD 3.33Å; R1209-E1797 IonicContact NH2-OE1 2.93Å; R1209-E1797 PolarHBondContact NH2-OE1 3.46Å; R1209-E1797 IonicContact NH2-OE2 2.85Å; R1209-E1797 PolarHBondContact NH2-OE2 3.45Å
1210I81.4Confident79.7Confident0 Ų024.9 Ų24.90%013%0.134CC..EExtended strand (participates in β ladder)trans-65140.5174.2-168.2167.3000111.5L1124 E1201 L1203 A1747 P1796 V1800L1124-I1210 HydrophobicContact CD1-CG2 4.36Å; L1124-I1210 HydrophobicContact CD2-CG2 3.8Å; E1201-I1210 HydrophobicContact CB-CG1 4.48Å; E1201-I1210 WeakPolarHBondContact OE2-CD1 3.44Å; L1203-I1210 HydrophobicContact CD2-CB 4.22Å; I1210-A1747 HydrophobicContact CD1-CB 4.44Å; I1210-P1796 HydrophobicContact CG2-CB 3.58Å; I1210-V1800 HydrophobicContact CB-CG2 4.11Å; I1210-V1800 HydrophobicContact CD1-CG2 4.13Å
1211S83.7Confident79.2Confident1 Ų122 Ų221%0.00712%0.116CC..EExtended strand (participates in β ladder)trans-149.2152.8-177.1-64.70000109.1A1123 E1201 Y1202A1123-S1211 CarbonylContact O-C 3.54Å; A1123-S1211 VanDerWaalsContact O-CA 3.29Å; A1123-S1211 WeakPolarHBondContact O-CA 3.35Å; A1123-S1211 VanDerWaalsContact O-CB 3.28Å; A1123-S1211 WeakPolarHBondContact O-CB 3.24Å; E1201-S1211 CarbonylContact C-O 3.59Å; E1201-S1211 WeakPolarHBondContact CA-O 3.05Å; Y1202-S1211 WeakPolarHBondContact CD1-O 3.45Å; Y1202-S1211 VanDerWaalsContact CZ-CB 3.43Å; Y1202-S1211 PolarHBondContact N-O 2.86Å; Y1202-S1211 PolarHBondContact O-N 3.35Å
1212N81Confident78.2Confident14 Ų1426.3 Ų26.38%0.07513%0.131CC..SBendtrans-135.92.7177.762.3-2.8000112.6A1123 I1125 P1199 E1201A1123-N1212 PolarHBondContact O-N 2.98Å; I1125-N1212 PolarHBondContact N-OD1 3.04Å; I1125-N1212 PolarHBondContact O-ND2 3.49Å; P1199-N1212 HydrophobicContact CG-CB 4.39Å; E1201-N1212 HydrophobicContact CG-CB 4.43Å
1213T85.5Confident76.7Confident7 Ų733.5 Ų33.54%0.04317%0.165CC..EExtended strand (participates in β ladder)trans-160.5179.5177.3-169.20000110A1123 I1125 Y1202 F1361 S1364A1123-T1213 HydrophobicContact CB-CG2 4Å; A1123-T1213 PolarHBondContact N-O 3.15Å; A1123-T1213 PolarHBondContact O-N 2.9Å; A1123-T1213 VanDerWaalsContact O-N 3.13Å; I1125-T1213 HydrophobicContact CB-CG2 4.38Å; I1125-T1213 HydrophobicContact CD1-CG2 3.27Å; I1125-T1213 HydrophobicContact CG1-CG2 3.53Å; Y1202-T1213 PolarHBondContact OH-O 3.29Å; T1213-F1361 HydrophobicContact CG2-CD2 4.31Å; T1213-F1361 HydrophobicContact CG2-CE2 4.46Å; T1213-S1364 WeakPolarHBondContact OG1-CB 3.48Å; T1213-S1364 PolarHBondContact OG1-OG 3.01Å
1214V87.8Confident75.2Confident2 Ų232.6 Ų32.61%0.01216%0.16CC..EExtended strand (participates in β ladder)trans-129.9144.7177-73.30000111.2V1120 Y1121 W1169 W1172 Y1202 F1361V1120-V1214 HydrophobicContact CB-CB 3.93Å; V1120-V1214 HydrophobicContact CB-CG1 4.41Å; V1120-V1214 HydrophobicContact CB-CG2 4.4Å; V1120-V1214 HydrophobicContact CG1-CB 4.46Å; V1120-V1214 HydrophobicContact CG1-CG2 4.41Å; V1120-V1214 HydrophobicContact CG2-CB 3.94Å; V1120-V1214 HydrophobicContact CG2-CG1 3.89Å; V1120-V1214 HydrophobicContact CG2-CG2 4.39Å; Y1121-V1214 CarbonylContact O-C 3.57Å; Y1121-V1214 VanDerWaalsContact O-CA 3.23Å; Y1121-V1214 WeakPolarHBondContact O-CA 3.35Å; W1169-V1214 HydrophobicContact CE3-CG2 4.34Å; W1169-V1214 HydrophobicContact CZ3-CG2 3.86Å; W1172-V1214 HydrophobicContact CD2-CG1 3.61Å; W1172-V1214 HydrophobicContact CD2-CG2 4.17Å; W1172-V1214 HydrophobicContact CE3-CG1 4.29Å; W1172-V1214 HydrophobicContact CE3-CG2 4Å; W1172-V1214 HydrophobicContact CG-CG1 3.81Å; W1172-V1214 HydrophobicContact CH2-CG2 3.94Å; W1172-V1214 HydrophobicContact CZ2-CG1 3.9Å; W1172-V1214 HydrophobicContact CZ2-CG2 4.12Å; W1172-V1214 HydrophobicContact CZ3-CG2 3.88Å; Y1202-V1214 VanDerWaalsContact OH-CG1 3.22Å; Y1202-V1214 WeakPolarHBondContact OH-CG1 3.43Å; V1214-F1361 WeakPolarHBondContact O-CB 3.46Å; V1214-F1361 VanDerWaalsContact O-CD2 3.27Å; V1214-F1361 WeakPolarHBondContact O-CD2 3.35Å
1215V87.8Confident73.7Confident0 Ų034.7 Ų34.70%017%0.168CC..EExtended strand (participates in β ladder)trans-106.9121.6174.5-1770000108.6V1120 Y1121 A1123 L1160 T1162 F1361 A1417V1120-V1215 CarbonylContact C-O 3.58Å; V1120-V1215 WeakPolarHBondContact CA-O 3.41Å; Y1121-V1215 PolarHBondContact N-O 3.49Å; Y1121-V1215 PolarHBondContact O-N 3.01Å; A1123-V1215 HydrophobicContact CB-CG2 3.64Å; L1160-V1215 HydrophobicContact CD1-CG2 4.2Å; L1160-V1215 HydrophobicContact CD2-CG2 4.06Å; T1162-V1215 HydrophobicContact CG2-CG2 4.28Å; V1215-F1361 HydrophobicContact CG2-CD2 3.87Å; V1215-F1361 HydrophobicContact CG2-CE2 3.48Å; V1215-F1361 VanDerWaalsContact CG2-CE2 3.48Å; V1215-F1361 HydrophobicContact CG2-CZ 3.94Å; V1215-A1417 HydrophobicContact CG1-CB 3.64Å
1216P87.5Confident72.1Confident0 Ų038.8 Ų38.80%019%0.185CC..EExtended strand (participates in β ladder)trans-68.9137.2179.122.9-27.1000112.8L1118 V1120 L1218 A1357 I1358 C1421L1118-P1216 HydrophobicContact CD1-CB 4.22Å; V1120-P1216 HydrophobicContact CG1-CB 4.4Å; P1216-L1218 PolarHBondContact O-N 2.89Å; P1216-A1357 HydrophobicContact CB-CB 4.13Å; P1216-A1357 HydrophobicContact CG-CB 4.26Å; P1216-I1358 HydrophobicContact CG-CG1 3.69Å; P1216-C1421 PolarHBondContact O-SG 3.23Å
1217L83.2Confident70.3Confident3 Ų336.8 Ų36.82%0.01618%0.18CC..  trans-84.1112.1173.2-78.372.2000108.3A1101 V1112 M1119 V1120 Y1121 A1166 Y1354A1101-L1217 HydrophobicContact CB-CD2 4.31Å; V1112-L1217 HydrophobicContact CG1-CB 4.17Å; V1112-L1217 WeakPolarHBondContact CG1-O 3.42Å; V1112-L1217 HydrophobicContact CG2-CB 4.41Å; V1112-L1217 HydrophobicContact CG2-CD2 4.17Å; M1119-L1217 HydrophobicContact CB-CB 4.42Å; M1119-L1217 HydrophobicContact CB-CD2 4.43Å; M1119-L1217 PolarHBondContact O-N 3.35Å; V1120-L1217 VanDerWaalsContact CA-CD1 3.49Å; Y1121-L1217 HydrophobicContact CD1-CD1 3.87Å; Y1121-L1217 HydrophobicContact CD2-CD1 3.44Å; Y1121-L1217 VanDerWaalsContact CD2-CD1 3.44Å; Y1121-L1217 HydrophobicContact CD2-CG 3.91Å; Y1121-L1217 HydrophobicContact CE1-CD1 4.01Å; Y1121-L1217 HydrophobicContact CE1-CD2 3.97Å; Y1121-L1217 HydrophobicContact CE1-CG 4.34Å; Y1121-L1217 HydrophobicContact CE2-CD1 3.61Å; Y1121-L1217 HydrophobicContact CE2-CD2 3.88Å; Y1121-L1217 HydrophobicContact CE2-CG 3.56Å; Y1121-L1217 HydrophobicContact CG-CD1 3.57Å; Y1121-L1217 HydrophobicContact CG-CG 4.44Å; Y1121-L1217 VanDerWaalsContact N-CD1 3.32Å; A1166-L1217 HydrophobicContact CB-CD2 4.39Å; L1217-Y1354 WeakPolarHBondContact O-CE1 3.37Å
1218L75.7Confident68.7Low1 Ų138 Ų381%0.00519%0.189CC..PPolyproline II helixtrans-86.1139.5178.5-69.3160.6000110.5P1216 L1350 Y1354 I1358 R1420 Y1424P1216-L1218 PolarHBondContact O-N 2.89Å; L1218-L1350 HydrophobicContact CD2-CD1 4.04Å; L1218-L1350 HydrophobicContact CD2-CD2 3.76Å; L1218-Y1354 HydrophobicContact CD2-CD1 3.64Å; L1218-Y1354 HydrophobicContact CD2-CE1 3.99Å; L1218-I1358 HydrophobicContact CD2-CD1 4.27Å; L1218-R1420 VanDerWaalsContact CD1-C 3.47Å; L1218-R1420 HydrophobicContact CD1-CB 3.7Å; L1218-R1420 PolarHBondContact O-NH1 2.81Å; L1218-Y1424 HydrophobicContact CD1-CD2 3.39Å; L1218-Y1424 HydrophobicContact CD1-CE2 3.67Å; L1218-Y1424 HydrophobicContact CD1-CG 4.43Å; L1218-Y1424 HydrophobicContact CD2-CD2 4.22Å; L1218-Y1424 HydrophobicContact CD2-CE2 4.23Å; L1218-Y1424 HydrophobicContact CG-CD2 4.38Å; L1218-Y1424 HydrophobicContact CG-CE2 4.38Å
1219P69.1Low67Low7 Ų737.1 Ų37.15%0.04520%0.199CC..PPolyproline II helixtrans-57.7149.7176.224-35.9000112.1V1112 T1114 A1221 L1348V1112-P1219 HydrophobicContact CG1-CB 4.34Å; V1112-P1219 WeakPolarHBondContact O-CB 3.2Å; T1114-P1219 HydrophobicContact CG2-CG 3.85Å; P1219-A1221 PolarHBondContact O-N 3.44Å; P1219-L1348 HydrophobicContact CB-CD2 4.3Å; P1219-L1348 HydrophobicContact CG-CD2 3.37Å
1220A61.5Low65.4Low24 Ų2436 Ų3620%0.19820%0.202CC..PPolyproline II helixtrans-62.1121.6173.200000109.3R1222A1220-R1222 VanDerWaalsContact C-N 3.26Å; A1220-R1222 PolarHBondContact O-N 3.48Å
1221A54.4Low64Low3 Ų346.3 Ų46.33%0.02525%0.247CC..  trans-80.974.5-174.300000111.3P1219 E1223 L1224 W1225P1219-A1221 PolarHBondContact O-N 3.44Å; A1221-E1223 PolarHBondContact O-N 2.82Å; A1221-E1223 VanDerWaalsContact O-N 3.1Å; A1221-L1224 HydrophobicContact CB-CB 4.09Å; A1221-L1224 HydrophobicContact CB-CD1 3.25Å; A1221-L1224 HydrophobicContact CB-CG 3.59Å; A1221-L1224 PolarHBondContact O-N 2.81Å; A1221-L1224 VanDerWaalsContact O-N 3.17Å; A1221-W1225 HydrophobicContact CB-CH2 4.23Å; A1221-W1225 HydrophobicContact CB-CZ2 4.46Å; A1221-W1225 HydrophobicContact CB-CZ3 4.26Å
1222R53.4Low62.7Low109 Ų10952.8 Ų52.841%0.41128%0.277SS..THydrogen-bonded Turntrans-47.4-40.6-174.4-68178.7171.3174.2-2113.6D1098 A1220D1098-R1222 VanDerWaalsContact N-NH2 3.15Å; D1098-R1222 IonicContact OD1-CZ 3.27Å; D1098-R1222 IonicContact OD1-NE 2.71Å; D1098-R1222 PolarHBondContact OD1-NE 3.37Å; D1098-R1222 IonicContact OD1-NH1 3.97Å; D1098-R1222 IonicContact OD1-NH2 2.68Å; D1098-R1222 PolarHBondContact OD1-NH2 3.33Å; D1098-R1222 IonicContact OD2-CZ 3.64Å; D1098-R1222 IonicContact OD2-NH1 3.67Å; D1098-R1222 IonicContact OD2-NH2 3.73Å; D1098-R1222 PolarHBondContact OD2-NH2 3.01Å; A1220-R1222 VanDerWaalsContact C-N 3.26Å; A1220-R1222 PolarHBondContact O-N 3.48Å
1223E50Low61.9Low153 Ų15360.4 Ų60.472%0.71531%0.312SS*.THydrogen-bonded Turntrans-86.9-18.5-171.9-60.8-175.5171.400114.5A1221A1221-E1223 PolarHBondContact O-N 2.82Å; A1221-E1223 VanDerWaalsContact O-N 3.1Å
1224L51.1Low61.6Low12 Ų1260.6 Ų60.66%0.06331%0.312CS..THydrogen-bonded Turntrans-75.7-30.1-172-60.8-174.9000113.4A1221 K1345 P1346 L1496A1221-L1224 HydrophobicContact CB-CB 4.09Å; A1221-L1224 HydrophobicContact CB-CD1 3.25Å; A1221-L1224 HydrophobicContact CB-CG 3.59Å; A1221-L1224 PolarHBondContact O-N 2.81Å; A1221-L1224 VanDerWaalsContact O-N 3.17Å; L1224-K1345 HydrophobicContact CD2-CB 4.2Å; L1224-P1346 WeakPolarHBondContact CD2-O 3.43Å; L1224-L1496 HydrophobicContact CD1-CB 4.35Å; L1224-L1496 HydrophobicContact CD1-CD1 3.42Å; L1224-L1496 VanDerWaalsContact CD1-CD1 3.42Å; L1224-L1496 HydrophobicContact CD1-CG 4.01Å
1225W52.1Low61.4Low45 Ų4563.3 Ų63.317%0.1733%0.331CS..THydrogen-bonded Turntrans-10410.5-169.1-54.9-61.5000114.7R1075 A1221 S1227 L1592R1075-W1225 VanDerWaalsContact CZ-CD2 3.41Å; R1075-W1225 VanDerWaalsContact NH2-CG 3.33Å; A1221-W1225 HydrophobicContact CB-CH2 4.23Å; A1221-W1225 HydrophobicContact CB-CZ2 4.46Å; A1221-W1225 HydrophobicContact CB-CZ3 4.26Å; W1225-S1227 PolarHBondContact O-N 3.19Å; W1225-L1592 HydrophobicContact CH2-CD1 4.22Å
1226H46.6Very low61.3Low112 Ų11264.2 Ų64.252%0.51934%0.335SS..  trans-67.773.8153.8-69.5-58.8000108.3S1228 K1345H1226-S1228 PolarHBondContact O-N 3.22Å; H1226-K1345 WeakPolarHBondContact O-CE 3.48Å; H1226-K1345 PolarHBondContact O-NZ 3.15Å
1227S45.8Very low61.1Low65 Ų6571 Ų7146%0.45536%0.364SS..  trans-55.898.5154.9168.60000105W1225 A1229W1225-S1227 PolarHBondContact O-N 3.19Å; S1227-A1229 PolarHBondContact O-N 2.97Å
1228S43.8Very low61Low77 Ų7774.6 Ų74.654%0.53838%0.38SS..  trans-58.897.1152.132.60000103.3H1226 S1230H1226-S1228 PolarHBondContact O-N 3.22Å; S1228-S1230 PolarHBondContact O-N 3.08Å
1229A45.6Very low61.5Low75 Ų7574.9 Ų74.962%0.6238%0.381SS*.  trans-53.993169.300000105.5S1227 K1231S1227-A1229 PolarHBondContact O-N 2.97Å; A1229-K1231 PolarHBondContact O-N 3Å
1230S47Very low62.2Low46 Ų4677.5 Ų77.532%0.32239%0.392SS..  trans-60.4127.4173.857.60000104.1S1228 E1232 Y1343S1228-S1230 PolarHBondContact O-N 3.08Å; S1230-E1232 PolarHBondContact O-N 3.12Å; S1230-Y1343 PolarHBondContact OG-OH 2.81Å
1231K51.6Low63Low217 Ų21781.6 Ų81.694%0.94341%0.408SS*.SBendtrans-62.2-8.6177.9-73-177175.8-179.60112.2A1229A1229-K1231 PolarHBondContact O-N 3Å
1232E56.1Low64.2Low137 Ų13781.8 Ų81.864%0.6441%0.408SS*.SBendtrans-80.7117.1173.9-73.9-164.7-179.200111.3S1230 F1234 K1238 Y1343S1230-E1232 PolarHBondContact O-N 3.12Å; E1232-F1234 PolarHBondContact O-N 2.95Å; E1232-K1238 IonicContact OE2-NZ 3.71Å; E1232-Y1343 PolarHBondContact O-OH 2.92Å
1233E64.5Low65.4Low173 Ų17377 Ų7781%0.80839%0.391SS*.  trans-69107.4171.8-143.8173.8-163.600109.5S1235E1233-S1235 VanDerWaalsContact C-N 3.35Å; E1233-S1235 PolarHBondContact O-N 3.3Å
1234F79Confident66.5Low12 Ų1272 Ų725%0.05337%0.371CS..  trans-77.886.3172.7-171.9-147.8000109.6E1232 K1238 W1239 T1242 A1339 Y1343 P1501 H1505E1232-F1234 PolarHBondContact O-N 2.95Å; F1234-K1238 HydrophobicContact CD2-CB 4.08Å; F1234-K1238 HydrophobicContact CD2-CD 4.04Å; F1234-K1238 HydrophobicContact CD2-CG 3.97Å; F1234-K1238 HydrophobicContact CE2-CB 4.14Å; F1234-K1238 HydrophobicContact CE2-CD 4.39Å; F1234-K1238 HydrophobicContact CE2-CG 3.91Å; F1234-W1239 HydrophobicContact CD1-CB 4.46Å; F1234-W1239 HydrophobicContact CE1-CB 3.97Å; F1234-W1239 AromaticContact CE1-CD1 3.54Å; F1234-W1239 HydrophobicContact CE1-CG 4.17Å; F1234-W1239 HydrophobicContact CE2-CB 4.17Å; F1234-W1239 HydrophobicContact CZ-CB 3.79Å; F1234-W1239 AromaticContact CZ-CD1 3.86Å; F1234-W1239 HydrophobicContact CZ-CG 4.24Å; F1234-T1242 HydrophobicContact CZ-CG2 4.47Å; F1234-A1339 HydrophobicContact CE2-CB 4.21Å; F1234-A1339 HydrophobicContact CZ-CB 4.18Å; F1234-Y1343 HydrophobicContact CB-CE2 3.92Å; F1234-Y1343 WeakPolarHBondContact CB-OH 3.18Å; F1234-Y1343 HydrophobicContact CD1-CD2 4.43Å; F1234-Y1343 AromaticContact CD1-CE2 3.87Å; F1234-Y1343 HydrophobicContact CD1-CE2 3.87Å; F1234-Y1343 HydrophobicContact CG-CE2 4.16Å; F1234-P1501 HydrophobicContact CB-CB 4.45Å; F1234-P1501 HydrophobicContact CD1-CB 4.43Å; F1234-H1505 PolarHBondContact O-NE2 3.31Å
1235S84Confident67.4Low58 Ų5874.1 Ų74.141%0.40639%0.387SS..  trans-62.5154.5-177.272.30000112.7E1233 K1237 K1238 W1239E1233-S1235 VanDerWaalsContact C-N 3.35Å; E1233-S1235 PolarHBondContact O-N 3.3Å; S1235-K1237 VanDerWaalsContact C-N 3.29Å; S1235-K1237 PolarHBondContact O-N 3.42Å; S1235-K1238 PolarHBondContact O-N 3.17Å; S1235-K1238 VanDerWaalsContact O-N 3.11Å; S1235-K1238 WeakPolarHBondContact OG-CB 3.45Å; S1235-K1238 PolarHBondContact OG-N 2.91Å; S1235-W1239 PolarHBondContact O-N 3.28Å
1236Y84.9Confident68.2Low20 Ų2072.5 Ų72.58%0.07838%0.381CS..Hα-helixtrans-56.1-42.7179.9-177.2-118.2000112.6K1238 W1239 Q1240 H1505 R1508 D1629Y1236-K1238 PolarHBondContact O-N 2.78Å; Y1236-W1239 AromaticContact CD2-CE3 3.98Å; Y1236-W1239 HydrophobicContact CD2-CE3 3.98Å; Y1236-W1239 HydrophobicContact CD2-CZ3 4.43Å; Y1236-W1239 AromaticContact CE2-CE3 3.74Å; Y1236-W1239 HydrophobicContact CE2-CE3 3.74Å; Y1236-W1239 AromaticContact CE2-CZ3 3.74Å; Y1236-W1239 HydrophobicContact CE2-CZ3 3.74Å; Y1236-W1239 WeakPolarHBondContact O-CB 3.32Å; Y1236-W1239 PolarHBondContact O-N 3.22Å; Y1236-Q1240 HydrophobicContact CD1-CG 4.47Å; Y1236-Q1240 VanDerWaalsContact CE1-CD 3.45Å; Y1236-Q1240 HydrophobicContact CE1-CG 4.15Å; Y1236-Q1240 VanDerWaalsContact CE1-NE2 3.29Å; Y1236-Q1240 HydrophobicContact CE2-CG 4.33Å; Y1236-Q1240 WeakPolarHBondContact O-CG 3.38Å; Y1236-Q1240 PolarHBondContact O-N 2.78Å; Y1236-Q1240 PolarHBondContact OH-NE2 3.21Å; Y1236-H1505 HydrophobicContact CD2-CB 3.72Å; Y1236-H1505 AromaticContact CD2-CG 3.66Å; Y1236-H1505 AromaticContact CD2-ND1 3.42Å; Y1236-H1505 WeakPolarHBondContact CD2-ND1 2.9Å; Y1236-H1505 HydrophobicContact CE2-CB 4.02Å; Y1236-H1505 PolarHBondContact N-CE1 2.55Å; Y1236-R1508 HydrophobicContact CE2-CB 4.13Å; Y1236-R1508 HydrophobicContact CE2-CG 4.1Å; Y1236-D1629 HydrophobicContact CE1-CB 3.77Å; Y1236-D1629 WeakPolarHBondContact CE1-OD2 3.5Å; Y1236-D1629 WeakPolarHBondContact OH-CB 3.5Å; Y1236-D1629 PolarHBondContact OH-OD2 3.17Å; Y1236-D1629 VanDerWaalsContact OH-OD2 3.05Å
1237K83.1Confident69.2Low141 Ų14167.4 Ų67.461%0.61336%0.358SS*.Hα-helixtrans-62.8-43.5177-172.6178.1177.8-178.50112.1S1235 W1239 Q1240 E1241S1235-K1237 VanDerWaalsContact C-N 3.29Å; S1235-K1237 PolarHBondContact O-N 3.42Å; K1237-W1239 VanDerWaalsContact C-N 3.29Å; K1237-W1239 PolarHBondContact O-N 2.92Å; K1237-Q1240 PolarHBondContact O-N 3.4Å; K1237-E1241 VanDerWaalsContact CE-OE1 3.28Å; K1237-E1241 WeakPolarHBondContact CE-OE1 3.46Å; K1237-E1241 WeakPolarHBondContact O-CG 3.24Å; K1237-E1241 PolarHBondContact O-N 3.28Å
1238K82.8Confident70.2Confident80 Ų8067.8 Ų67.835%0.34836%0.355SS..Hα-helixtrans-63.7-37175.6-166.1176.1174.5-176.60110.6E1232 F1234 S1235 Y1236 T1242E1232-K1238 IonicContact OE2-NZ 3.71Å; F1234-K1238 HydrophobicContact CD2-CB 4.08Å; F1234-K1238 HydrophobicContact CD2-CD 4.04Å; F1234-K1238 HydrophobicContact CD2-CG 3.97Å; F1234-K1238 HydrophobicContact CE2-CB 4.14Å; F1234-K1238 HydrophobicContact CE2-CD 4.39Å; F1234-K1238 HydrophobicContact CE2-CG 3.91Å; S1235-K1238 PolarHBondContact O-N 3.17Å; S1235-K1238 VanDerWaalsContact O-N 3.11Å; S1235-K1238 WeakPolarHBondContact OG-CB 3.45Å; S1235-K1238 PolarHBondContact OG-N 2.91Å; Y1236-K1238 PolarHBondContact O-N 2.78Å; K1238-T1242 WeakPolarHBondContact O-CB 3.16Å; K1238-T1242 PolarHBondContact O-N 3.43Å; K1238-T1242 PolarHBondContact O-OG1 3.46Å
1239W85.9Confident71Confident6 Ų667.1 Ų67.12%0.02335%0.349CS..Hα-helixtrans-64.3-45.6173.9176.184.8000112.3F1234 S1235 Y1236 K1237 T1242 I1243 M1483 H1505 L1506 L1509F1234-W1239 HydrophobicContact CD1-CB 4.46Å; F1234-W1239 HydrophobicContact CE1-CB 3.97Å; F1234-W1239 AromaticContact CE1-CD1 3.54Å; F1234-W1239 HydrophobicContact CE1-CG 4.17Å; F1234-W1239 HydrophobicContact CE2-CB 4.17Å; F1234-W1239 HydrophobicContact CZ-CB 3.79Å; F1234-W1239 AromaticContact CZ-CD1 3.86Å; F1234-W1239 HydrophobicContact CZ-CG 4.24Å; S1235-W1239 PolarHBondContact O-N 3.28Å; Y1236-W1239 AromaticContact CD2-CE3 3.98Å; Y1236-W1239 HydrophobicContact CD2-CE3 3.98Å; Y1236-W1239 HydrophobicContact CD2-CZ3 4.43Å; Y1236-W1239 AromaticContact CE2-CE3 3.74Å; Y1236-W1239 HydrophobicContact CE2-CE3 3.74Å; Y1236-W1239 AromaticContact CE2-CZ3 3.74Å; Y1236-W1239 HydrophobicContact CE2-CZ3 3.74Å; Y1236-W1239 WeakPolarHBondContact O-CB 3.32Å; Y1236-W1239 PolarHBondContact O-N 3.22Å; K1237-W1239 VanDerWaalsContact C-N 3.29Å; K1237-W1239 PolarHBondContact O-N 2.92Å; W1239-T1242 WeakPolarHBondContact O-CB 3.38Å; W1239-T1242 PolarHBondContact O-N 2.92Å; W1239-I1243 HydrophobicContact CD2-CG1 4.09Å; W1239-I1243 HydrophobicContact CH2-CG1 4.46Å; W1239-I1243 HydrophobicContact CZ2-CD1 4.29Å; W1239-I1243 HydrophobicContact CZ2-CG1 3.95Å; W1239-I1243 WeakPolarHBondContact O-CG1 2.98Å; W1239-I1243 PolarHBondContact O-N 3.04Å; W1239-M1483 HydrophobicContact CZ2-CE 4.33Å; W1239-H1505 HydrophobicContact CD2-CB 3.56Å; W1239-H1505 HydrophobicContact CE3-CB 3.7Å; W1239-H1505 HydrophobicContact CG-CB 3.93Å; W1239-H1505 AromaticContact CG-CD2 3.69Å; W1239-H1505 HydrophobicContact CH2-CB 4.41Å; W1239-H1505 HydrophobicContact CZ2-CB 4.29Å; W1239-H1505 HydrophobicContact CZ3-CB 4.13Å; W1239-L1506 HydrophobicContact CZ2-CB 4.49Å; W1239-L1509 HydrophobicContact CH2-CD2 4.19Å
1240Q82.3Confident71.7Confident63 Ų6363.8 Ų63.829%0.29432%0.32SS..Hα-helixtrans-60.7-47.3175.6-70.2179.1-49.800112.2Y1236 K1237 T1242 I1243 V1244 D1629Y1236-Q1240 HydrophobicContact CD1-CG 4.47Å; Y1236-Q1240 VanDerWaalsContact CE1-CD 3.45Å; Y1236-Q1240 HydrophobicContact CE1-CG 4.15Å; Y1236-Q1240 VanDerWaalsContact CE1-NE2 3.29Å; Y1236-Q1240 HydrophobicContact CE2-CG 4.33Å; Y1236-Q1240 WeakPolarHBondContact O-CG 3.38Å; Y1236-Q1240 PolarHBondContact O-N 2.78Å; Y1236-Q1240 PolarHBondContact OH-NE2 3.21Å; K1237-Q1240 PolarHBondContact O-N 3.4Å; Q1240-T1242 VanDerWaalsContact C-N 3.26Å; Q1240-T1242 PolarHBondContact O-N 3.1Å; Q1240-I1243 PolarHBondContact O-N 3.27Å; Q1240-V1244 WeakPolarHBondContact O-CG2 3.04Å; Q1240-V1244 PolarHBondContact O-N 3.16Å; Q1240-D1629 PolarHBondContact NE2-OD2 3.41Å
1241E79.1Confident72.3Confident110 Ų11063 Ų6351%0.51432%0.315SS..Hα-helixtrans-58.5-41.1174.9-72.6169.5-176.700111.1K1237 V1244 S1245K1237-E1241 VanDerWaalsContact CE-OE1 3.28Å; K1237-E1241 WeakPolarHBondContact CE-OE1 3.46Å; K1237-E1241 WeakPolarHBondContact O-CG 3.24Å; K1237-E1241 PolarHBondContact O-N 3.28Å; E1241-V1244 PolarHBondContact O-N 3.25Å; E1241-S1245 WeakPolarHBondContact O-CB 3.44Å; E1241-S1245 PolarHBondContact O-N 3.22Å
1242T78.7Confident72.3Confident7 Ų759.6 Ų59.64%0.04330%0.302CS..Hα-helixtrans-65-47.5177-530000111.1F1234 K1238 W1239 Q1240 V1244 S1245 V1246 H1337 Y1340F1234-T1242 HydrophobicContact CZ-CG2 4.47Å; K1238-T1242 WeakPolarHBondContact O-CB 3.16Å; K1238-T1242 PolarHBondContact O-N 3.43Å; K1238-T1242 PolarHBondContact O-OG1 3.46Å; W1239-T1242 WeakPolarHBondContact O-CB 3.38Å; W1239-T1242 PolarHBondContact O-N 2.92Å; Q1240-T1242 VanDerWaalsContact C-N 3.26Å; Q1240-T1242 PolarHBondContact O-N 3.1Å; T1242-V1244 VanDerWaalsContact C-N 3.35Å; T1242-V1244 PolarHBondContact O-N 2.98Å; T1242-S1245 WeakPolarHBondContact CA-OG 3.48Å; T1242-S1245 PolarHBondContact O-N 3.03Å; T1242-S1245 VanDerWaalsContact O-N 3.15Å; T1242-S1245 PolarHBondContact O-OG 3.45Å; T1242-V1246 HydrophobicContact CG2-CG2 4.43Å; T1242-V1246 WeakPolarHBondContact O-CB 3.17Å; T1242-V1246 VanDerWaalsContact O-CG2 3.3Å; T1242-V1246 WeakPolarHBondContact O-CG2 3.4Å; T1242-V1246 PolarHBondContact O-N 3.07Å; T1242-H1337 HydrophobicContact CG2-CB 4.27Å; T1242-Y1340 HydrophobicContact CG2-CD2 4.28Å; T1242-Y1340 HydrophobicContact CG2-CE2 3.41Å; T1242-Y1340 VanDerWaalsContact CG2-CE2 3.41Å
1243I79Confident72Confident7 Ų755.2 Ų55.24%0.03628%0.28CS..Hα-helixtrans-59.7-44.9177.2-72.7-70.4000111W1239 Q1240 S1245 V1246 I1247 Y1340 L1442 M1483 L1486W1239-I1243 HydrophobicContact CD2-CG1 4.09Å; W1239-I1243 HydrophobicContact CH2-CG1 4.46Å; W1239-I1243 HydrophobicContact CZ2-CD1 4.29Å; W1239-I1243 HydrophobicContact CZ2-CG1 3.95Å; W1239-I1243 WeakPolarHBondContact O-CG1 2.98Å; W1239-I1243 PolarHBondContact O-N 3.04Å; Q1240-I1243 PolarHBondContact O-N 3.27Å; I1243-S1245 VanDerWaalsContact C-N 3.34Å; I1243-S1245 PolarHBondContact O-N 2.69Å; I1243-V1246 PolarHBondContact O-N 2.89Å; I1243-I1247 HydrophobicContact CG2-CD1 3.55Å; I1243-I1247 HydrophobicContact CG2-CG1 4.26Å; I1243-I1247 VanDerWaalsContact O-CB 3.32Å; I1243-I1247 WeakPolarHBondContact O-CB 3.37Å; I1243-I1247 WeakPolarHBondContact O-CG1 3.23Å; I1243-I1247 PolarHBondContact O-N 2.9Å; I1243-Y1340 WeakPolarHBondContact CD1-OH 3.43Å; I1243-Y1340 WeakPolarHBondContact CG1-OH 3.37Å; I1243-L1442 HydrophobicContact CG2-CD1 4.38Å; I1243-M1483 HydrophobicContact CD1-CE 3.88Å; I1243-M1483 HydrophobicContact CD1-SD 3.79Å; I1243-L1486 HydrophobicContact CD1-CD1 3.76Å
1244V73.3Confident71.2Confident50 Ų5048.8 Ų48.830%0.30326%0.256SS..Hα-helixtrans-62.3-42.8175.6172.90000110.8Q1240 E1241 T1242 V1246 I1247 N1248Q1240-V1244 WeakPolarHBondContact O-CG2 3.04Å; Q1240-V1244 PolarHBondContact O-N 3.16Å; E1241-V1244 PolarHBondContact O-N 3.25Å; T1242-V1244 VanDerWaalsContact C-N 3.35Å; T1242-V1244 PolarHBondContact O-N 2.98Å; V1244-V1246 VanDerWaalsContact C-N 3.27Å; V1244-V1246 PolarHBondContact O-N 3.25Å; V1244-I1247 PolarHBondContact O-N 3.4Å; V1244-N1248 WeakPolarHBondContact O-CB 3.33Å; V1244-N1248 VanDerWaalsContact O-CG 3.27Å; V1244-N1248 PolarHBondContact O-N 2.87Å; V1244-N1248 PolarHBondContact O-ND2 3.46Å
1245S69.4Low69.5Low56 Ų5653.8 Ų53.839%0.39228%0.283SS..Hα-helixtrans-63.9-31.1177.379.70000113.5E1241 T1242 I1243 P1249E1241-S1245 WeakPolarHBondContact O-CB 3.44Å; E1241-S1245 PolarHBondContact O-N 3.22Å; T1242-S1245 WeakPolarHBondContact CA-OG 3.48Å; T1242-S1245 PolarHBondContact O-N 3.03Å; T1242-S1245 VanDerWaalsContact O-N 3.15Å; T1242-S1245 PolarHBondContact O-OG 3.45Å; I1243-S1245 VanDerWaalsContact C-N 3.34Å; I1243-S1245 PolarHBondContact O-N 2.69Å; S1245-P1249 WeakPolarHBondContact O-CD 3.35Å; S1245-P1249 WeakPolarHBondContact O-CG 3.35Å
1246V69.9Low67.2Low10 Ų1056.4 Ų56.46%0.06129%0.289CS..Hα-helixtrans-78.5-39.7178153.80000111.4T1242 I1243 V1244 P1249 L1250 W1334 Y1340 L1486T1242-V1246 HydrophobicContact CG2-CG2 4.43Å; T1242-V1246 WeakPolarHBondContact O-CB 3.17Å; T1242-V1246 VanDerWaalsContact O-CG2 3.3Å; T1242-V1246 WeakPolarHBondContact O-CG2 3.4Å; T1242-V1246 PolarHBondContact O-N 3.07Å; I1243-V1246 PolarHBondContact O-N 2.89Å; V1244-V1246 VanDerWaalsContact C-N 3.27Å; V1244-V1246 PolarHBondContact O-N 3.25Å; V1246-P1249 WeakPolarHBondContact O-CD 3.39Å; V1246-L1250 HydrophobicContact CG1-CD1 4.16Å; V1246-L1250 WeakPolarHBondContact O-CG 3.31Å; V1246-W1334 HydrophobicContact CB-CH2 4.16Å; V1246-W1334 HydrophobicContact CG1-CH2 3.55Å; V1246-W1334 HydrophobicContact CG1-CZ2 4.28Å; V1246-W1334 HydrophobicContact CG2-CH2 4.13Å; V1246-Y1340 HydrophobicContact CG2-CE2 4.11Å; V1246-L1486 HydrophobicContact CG1-CD1 3.9Å; V1246-L1486 HydrophobicContact CG1-CD2 3.46Å; V1246-L1486 VanDerWaalsContact CG1-CD2 3.46Å; V1246-L1486 HydrophobicContact CG1-CG 4.24Å
1247I68.1Low65.2Low5 Ų562.1 Ų62.13%0.02633%0.326CS..Hα-helixtrans-73.2-35.4-179.5-74.2177.8000112I1243 V1244 L1250 S1251 L1439 L1442 L1446 F1451I1243-I1247 HydrophobicContact CG2-CD1 3.55Å; I1243-I1247 HydrophobicContact CG2-CG1 4.26Å; I1243-I1247 VanDerWaalsContact O-CB 3.32Å; I1243-I1247 WeakPolarHBondContact O-CB 3.37Å; I1243-I1247 WeakPolarHBondContact O-CG1 3.23Å; I1243-I1247 PolarHBondContact O-N 2.9Å; V1244-I1247 PolarHBondContact O-N 3.4Å; I1247-L1250 CarbonylContact O-C 3.55Å; I1247-L1250 PolarHBondContact O-N 2.81Å; I1247-L1250 VanDerWaalsContact O-N 3.1Å; I1247-S1251 PolarHBondContact O-N 2.97Å; I1247-L1439 HydrophobicContact CB-CD1 4.44Å; I1247-L1439 HydrophobicContact CG1-CD1 4.26Å; I1247-L1439 HydrophobicContact CG2-CD1 3.63Å; I1247-L1442 HydrophobicContact CD1-CB 4.4Å; I1247-L1442 HydrophobicContact CD1-CD1 3.77Å; I1247-L1446 HydrophobicContact CD1-CD1 3.47Å; I1247-L1446 VanDerWaalsContact CD1-CD1 3.47Å; I1247-L1446 HydrophobicContact CD1-CD2 4.36Å; I1247-L1446 HydrophobicContact CG2-CD1 4.42Å; I1247-F1451 HydrophobicContact CG2-CE1 4.24Å; I1247-F1451 HydrophobicContact CG2-CZ 3.76Å
1248N65.2Low63.2Low73 Ų7356.8 Ų56.839%0.3931%0.305SS..Hα-helixtrans-54.4-48.6-179.8-80.2-16.3000112.7V1244 S1251V1244-N1248 WeakPolarHBondContact O-CB 3.33Å; V1244-N1248 VanDerWaalsContact O-CG 3.27Å; V1244-N1248 PolarHBondContact O-N 2.87Å; V1244-N1248 PolarHBondContact O-ND2 3.46Å; N1248-S1251 WeakPolarHBondContact O-CB 3.3Å; N1248-S1251 PolarHBondContact O-N 2.97Å; N1248-S1251 PolarHBondContact O-OG 2.82Å
1249P61.1Low61.1Low63 Ų6355.9 Ų55.941%0.40930%0.304SS..Hα-helixtrans-60.9-45.6170.6-22.930.2000113.8S1245 V1246 S1251 H1252S1245-P1249 WeakPolarHBondContact O-CD 3.35Å; S1245-P1249 WeakPolarHBondContact O-CG 3.35Å; V1246-P1249 WeakPolarHBondContact O-CD 3.39Å; P1249-S1251 PolarHBondContact O-N 3.47Å; P1249-H1252 WeakPolarHBondContact O-CB 3.5Å; P1249-H1252 PolarHBondContact O-N 2.96Å; P1249-H1252 VanDerWaalsContact O-N 3.12Å
1250L60.8Low59Low5 Ų557.2 Ų57.23%0.02631%0.313CS..Hα-helixtrans-65.3-24.4-179.2-66.4171.8000112.7V1246 I1247 H1252 W1253 W1334 R1435 L1439V1246-L1250 HydrophobicContact CG1-CD1 4.16Å; V1246-L1250 WeakPolarHBondContact O-CG 3.31Å; I1247-L1250 CarbonylContact O-C 3.55Å; I1247-L1250 PolarHBondContact O-N 2.81Å; I1247-L1250 VanDerWaalsContact O-N 3.1Å; L1250-H1252 PolarHBondContact O-N 2.78Å; L1250-W1253 HydrophobicContact CD2-CD2 4.05Å; L1250-W1253 HydrophobicContact CD2-CE3 3.43Å; L1250-W1253 VanDerWaalsContact CD2-CE3 3.43Å; L1250-W1253 HydrophobicContact CD2-CH2 4.34Å; L1250-W1253 HydrophobicContact CD2-CZ3 3.59Å; L1250-W1253 WeakPolarHBondContact O-CB 3.36Å; L1250-W1253 PolarHBondContact O-N 2.97Å; L1250-W1334 HydrophobicContact CD1-CH2 4.27Å; L1250-W1334 HydrophobicContact CD1-CZ3 4.14Å; L1250-W1334 HydrophobicContact CD2-CE3 4.25Å; L1250-W1334 HydrophobicContact CD2-CZ3 3.89Å; L1250-W1334 HydrophobicContact CG-CH2 4.47Å; L1250-W1334 HydrophobicContact CG-CZ3 3.86Å; L1250-R1435 HydrophobicContact CD1-CB 4.14Å; L1250-R1435 HydrophobicContact CD2-CB 3.95Å; L1250-L1439 HydrophobicContact CB-CD2 4.38Å
1251S58.6Low56.8Low30 Ų3063.7 Ų63.721%0.2133%0.334CS..G310 helixtrans-63-25.4175.678.70000112.4I1247 N1248 P1249 W1253 A1254I1247-S1251 PolarHBondContact O-N 2.97Å; N1248-S1251 WeakPolarHBondContact O-CB 3.3Å; N1248-S1251 PolarHBondContact O-N 2.97Å; N1248-S1251 PolarHBondContact O-OG 2.82Å; P1249-S1251 PolarHBondContact O-N 3.47Å; S1251-W1253 VanDerWaalsContact C-N 3.35Å; S1251-A1254 VanDerWaalsContact O-CB 3.29Å; S1251-A1254 WeakPolarHBondContact O-CB 3.44Å; S1251-A1254 PolarHBondContact O-N 3.31Å
1252H52.2Low54.7Low146 Ų14665.5 Ų65.568%0.67635%0.345SS*.G310 helixtrans-77.1-21.8174-61.8-5.8000112.5P1249 L1250 A1254P1249-H1252 WeakPolarHBondContact O-CB 3.5Å; P1249-H1252 PolarHBondContact O-N 2.96Å; P1249-H1252 VanDerWaalsContact O-N 3.12Å; L1250-H1252 PolarHBondContact O-N 2.78Å; H1252-A1254 PolarHBondContact O-N 3.43Å
1253W50.4Low52.8Low45 Ų4566.7 Ų66.717%0.1735%0.35CS..G310 helixtrans-80-5173.2-64.2-1.8000112.9L1250 S1251 D1255 E1256 H1432L1250-W1253 HydrophobicContact CD2-CD2 4.05Å; L1250-W1253 HydrophobicContact CD2-CE3 3.43Å; L1250-W1253 VanDerWaalsContact CD2-CE3 3.43Å; L1250-W1253 HydrophobicContact CD2-CH2 4.34Å; L1250-W1253 HydrophobicContact CD2-CZ3 3.59Å; L1250-W1253 WeakPolarHBondContact O-CB 3.36Å; L1250-W1253 PolarHBondContact O-N 2.97Å; S1251-W1253 VanDerWaalsContact C-N 3.35Å; W1253-D1255 PolarHBondContact O-N 3.22Å; W1253-D1255 VanDerWaalsContact O-N 3.16Å; W1253-E1256 PolarHBondContact O-N 3.46Å; W1253-E1256 VanDerWaalsContact O-N 3.11Å; W1253-H1432 AromaticContact CD2-NE2 3.73Å; W1253-H1432 AromaticContact CE3-CD2 3.65Å; W1253-H1432 AromaticContact CE3-CE1 3.84Å; W1253-H1432 AromaticContact CE3-NE2 3.19Å; W1253-H1432 AromaticContact CH2-CD2 3.49Å; W1253-H1432 VanDerWaalsContact CH2-CD2 3.49Å; W1253-H1432 WeakPolarHBondContact CH2-CD2 3.08Å; W1253-H1432 AromaticContact CH2-NE2 3.74Å; W1253-H1432 AromaticContact CZ3-CD2 3.11Å; W1253-H1432 WeakPolarHBondContact CZ3-CD2 3.36Å; W1253-H1432 AromaticContact CZ3-CG 3.95Å; W1253-H1432 AromaticContact CZ3-NE2 3.22Å; W1253-H1432 WeakPolarHBondContact CZ3-NE2 3.43Å
1254A48.1Very low50.6Low37 Ų3777.2 Ų77.231%0.30639%0.39SS..G310 helixtrans-61.7-22.1178.800000113.3S1251 H1252S1251-A1254 VanDerWaalsContact O-CB 3.29Å; S1251-A1254 WeakPolarHBondContact O-CB 3.44Å; S1251-A1254 PolarHBondContact O-N 3.31Å; H1252-A1254 PolarHBondContact O-N 3.43Å
1255D41.6Very low49.1Very low117 Ų11775.8 Ų75.863%0.62638%0.38SS*.G310 helixtrans-85.7-17.5178.5-65.4-23.5000113W1253 V1257W1253-D1255 PolarHBondContact O-N 3.22Å; W1253-D1255 VanDerWaalsContact O-N 3.16Å; D1255-V1257 PolarHBondContact O-N 3.22Å
1256E37.7Very low47.4Very low114 Ų11478 Ų7853%0.53339%0.393SS..  trans-81.8103.2174.8-74.1-174.2176.200109.4W1253 V1258W1253-E1256 PolarHBondContact O-N 3.46Å; W1253-E1256 VanDerWaalsContact O-N 3.11Å; E1256-V1258 VanDerWaalsContact C-N 3.31Å; E1256-V1258 PolarHBondContact O-N 3.06Å
1257V41.7Very low46.2Very low139 Ų13982.9 Ų82.984%0.84241%0.411SS*.  trans-57.9104.1157.3-179.60000105.7D1255 D1259D1255-V1257 PolarHBondContact O-N 3.22Å; V1257-D1259 PolarHBondContact O-N 3.2Å
1258V41.4Very low44.7Very low29 Ų2985.3 Ų85.318%0.17642%0.424CS..  trans-53.9105.6174.41780000107.2E1256 V1260E1256-V1258 VanDerWaalsContact C-N 3.31Å; E1256-V1258 PolarHBondContact O-N 3.06Å; V1258-V1260 PolarHBondContact O-N 3.4Å
1259D38.1Very low43.1Very low62 Ų6290.3 Ų90.333%0.33244%0.442SS..  trans-66.3105.5174.2-175.6-11.9000106.9V1257 R1261 M1262V1257-D1259 PolarHBondContact O-N 3.2Å; D1259-R1261 PolarHBondContact O-N 3.44Å; D1259-R1261 WeakPolarHBondContact OD1-CB 3.32Å; D1259-R1261 VanDerWaalsContact OD1-CG 3.26Å; D1259-R1261 WeakPolarHBondContact OD1-CG 3.48Å; D1259-R1261 IonicContact OD1-CZ 3.86Å; D1259-R1261 PolarHBondContact OD1-N 2.86Å; D1259-R1261 IonicContact OD1-NE 3.61Å; D1259-R1261 PolarHBondContact OD1-NE 3.06Å; D1259-R1261 IonicContact OD1-NH2 3.53Å; D1259-R1261 IonicContact OD2-CZ 3.19Å; D1259-R1261 VanDerWaalsContact OD2-CZ 3.23Å; D1259-R1261 IonicContact OD2-NE 2.77Å; D1259-R1261 PolarHBondContact OD2-NE 3.3Å; D1259-R1261 IonicContact OD2-NH2 3.24Å; D1259-R1261 PolarHBondContact OD2-NH2 2.84Å; D1259-M1262 HydrophobicContact CB-CG 4.44Å; D1259-M1262 VanDerWaalsContact O-CB 3.27Å; D1259-M1262 WeakPolarHBondContact O-CB 3.26Å; D1259-M1262 WeakPolarHBondContact O-CG 3.47Å; D1259-M1262 PolarHBondContact O-N 3.47Å
1260V41.3Very low41.7Very low33 Ų3396.7 Ų96.720%0.246%0.463CS..G310 helixtrans-67.7-6.4-175.5-150.20000112.1V1258 M1262 L1263 S1377V1258-V1260 PolarHBondContact O-N 3.4Å; V1260-M1262 PolarHBondContact O-N 2.92Å; V1260-L1263 HydrophobicContact CG1-CB 4.13Å; V1260-L1263 HydrophobicContact CG1-CD1 3.48Å; V1260-L1263 VanDerWaalsContact CG1-CD1 3.48Å; V1260-L1263 HydrophobicContact CG1-CG 3.83Å; V1260-L1263 WeakPolarHBondContact O-CB 3.42Å; V1260-L1263 PolarHBondContact O-N 2.76Å; V1260-L1263 VanDerWaalsContact O-N 3.08Å; V1260-S1377 WeakPolarHBondContact CB-OG 3.46Å; V1260-S1377 WeakPolarHBondContact CG1-OG 3.41Å
1261R37.8Very low40.4Very low200 Ų200106 Ų10676%0.75550%0.504SS*.G310 helixtrans-65.2-21.7164.8-61.6177.9-69.7-173.10.7112.5D1259 L1263D1259-R1261 PolarHBondContact O-N 3.44Å; D1259-R1261 WeakPolarHBondContact OD1-CB 3.32Å; D1259-R1261 VanDerWaalsContact OD1-CG 3.26Å; D1259-R1261 WeakPolarHBondContact OD1-CG 3.48Å; D1259-R1261 IonicContact OD1-CZ 3.86Å; D1259-R1261 PolarHBondContact OD1-N 2.86Å; D1259-R1261 IonicContact OD1-NE 3.61Å; D1259-R1261 PolarHBondContact OD1-NE 3.06Å; D1259-R1261 IonicContact OD1-NH2 3.53Å; D1259-R1261 IonicContact OD2-CZ 3.19Å; D1259-R1261 VanDerWaalsContact OD2-CZ 3.23Å; D1259-R1261 IonicContact OD2-NE 2.77Å; D1259-R1261 PolarHBondContact OD2-NE 3.3Å; D1259-R1261 IonicContact OD2-NH2 3.24Å; D1259-R1261 PolarHBondContact OD2-NH2 2.84Å; R1261-L1263 PolarHBondContact O-N 3.49Å
1262M33.1Very low39.2Very low148 Ų148109.8 Ų109.873%0.72953%0.525SS*.G310 helixtrans-69.1-22.8170.8-64.4-171.779.900112.3D1259 V1260 R1264D1259-M1262 HydrophobicContact CB-CG 4.44Å; D1259-M1262 VanDerWaalsContact O-CB 3.27Å; D1259-M1262 WeakPolarHBondContact O-CB 3.26Å; D1259-M1262 WeakPolarHBondContact O-CG 3.47Å; D1259-M1262 PolarHBondContact O-N 3.47Å; V1260-M1262 PolarHBondContact O-N 2.92Å; M1262-R1264 PolarHBondContact O-N 3.4Å
1263L39.3Very low38.3Very low31 Ų31106.1 Ų106.116%0.16251%0.51CS..  trans-76.175.6164.4-56.1-171.9000108.1V1260 R1261 I1265 F1429V1260-L1263 HydrophobicContact CG1-CB 4.13Å; V1260-L1263 HydrophobicContact CG1-CD1 3.48Å; V1260-L1263 VanDerWaalsContact CG1-CD1 3.48Å; V1260-L1263 HydrophobicContact CG1-CG 3.83Å; V1260-L1263 WeakPolarHBondContact O-CB 3.42Å; V1260-L1263 PolarHBondContact O-N 2.76Å; V1260-L1263 VanDerWaalsContact O-N 3.08Å; R1261-L1263 PolarHBondContact O-N 3.49Å; L1263-I1265 HydrophobicContact CB-CD1 4.36Å; L1263-I1265 HydrophobicContact CB-CG1 4.24Å; L1263-I1265 PolarHBondContact O-N 3.12Å; L1263-F1429 HydrophobicContact CD1-CD1 3.83Å; L1263-F1429 WeakPolarHBondContact CD2-O 3.35Å
1264R32.8Very low37.5Very low228 Ų228106.5 Ų106.586%0.8652%0.52SS*.  trans-66.262.6164.5-72.8-173.7177.4-174.81.2109.4M1262 P1266M1262-R1264 PolarHBondContact O-N 3.4Å; R1264-P1266 WeakPolarHBondContact O-CD 3.36Å
1265I41.6Very low36.7Very low20 Ų20109.5 Ų109.510%0.10354%0.536CS..  trans-79102.6165.3-58.4175.3000104.9L1263 W1267 L1268L1263-I1265 HydrophobicContact CB-CD1 4.36Å; L1263-I1265 HydrophobicContact CB-CG1 4.24Å; L1263-I1265 PolarHBondContact O-N 3.12Å; I1265-W1267 HydrophobicContact CG2-CD2 3.89Å; I1265-W1267 HydrophobicContact CG2-CG 4.1Å; I1265-W1267 HydrophobicContact CG2-CH2 4.49Å; I1265-W1267 HydrophobicContact CG2-CZ2 3.66Å; I1265-W1267 PolarHBondContact O-N 2.91Å; I1265-L1268 HydrophobicContact CB-CD1 4.19Å; I1265-L1268 HydrophobicContact CD1-CD1 3.96Å; I1265-L1268 HydrophobicContact CG2-CD1 4.02Å; I1265-L1268 PolarHBondContact O-N 3.45Å
1266P34.6Very low36.2Very low103 Ų103106 Ų10667%0.66953%0.528SS*.THydrogen-bonded Turntrans-62.5-15.5-163.3-25.337.7000114.9R1264R1264-P1266 WeakPolarHBondContact O-CD 3.36Å
1267W44.1Very low36.1Very low112 Ų112105.5 Ų105.542%0.42453%0.525SS..THydrogen-bonded Turntrans-102.8-11.3-173.654.2-93.5000115.4I1265 K1269 A1359I1265-W1267 HydrophobicContact CG2-CD2 3.89Å; I1265-W1267 HydrophobicContact CG2-CG 4.1Å; I1265-W1267 HydrophobicContact CG2-CH2 4.49Å; I1265-W1267 HydrophobicContact CG2-CZ2 3.66Å; I1265-W1267 PolarHBondContact O-N 2.91Å; W1267-K1269 PolarHBondContact O-N 2.94Å; W1267-K1269 VanDerWaalsContact O-N 3.1Å; W1267-A1359 HydrophobicContact CD2-CB 4.22Å; W1267-A1359 HydrophobicContact CE3-CB 3.97Å; W1267-A1359 HydrophobicContact CH2-CB 3.11Å; W1267-A1359 HydrophobicContact CZ2-CB 3.37Å; W1267-A1359 HydrophobicContact CZ3-CB 3.43Å; W1267-A1359 VanDerWaalsContact CZ3-CB 3.43Å
1268L37.3Very low35.9Very low57 Ų5799.5 Ų99.530%0.29849%0.489SS..THydrogen-bonded Turntrans-74.17.2173.6-111.8135000113.5I1265 K1270I1265-L1268 HydrophobicContact CB-CD1 4.19Å; I1265-L1268 HydrophobicContact CD1-CD1 3.96Å; I1265-L1268 HydrophobicContact CG2-CD1 4.02Å; I1265-L1268 PolarHBondContact O-N 3.45Å; L1268-K1270 VanDerWaalsContact C-N 3.25Å; L1268-K1270 PolarHBondContact O-N 2.84Å; L1268-K1270 VanDerWaalsContact O-N 3.14Å
1269K32.2Very low35.4Very low178 Ų178103.9 Ų103.977%0.77451%0.509SS*.THydrogen-bonded Turntrans-69.5-3.1-173.1-82.5-173.2173.2-176.90116.2W1267 K1271W1267-K1269 PolarHBondContact O-N 2.94Å; W1267-K1269 VanDerWaalsContact O-N 3.1Å; K1269-K1271 PolarHBondContact O-N 3.02Å
1270K31.6Very low35.2Very low196 Ų196106 Ų10685%0.85252%0.519SS*.SBendtrans-86.196.7-176.8-78.1-174.6177.2177.10111.2L1268L1268-K1270 VanDerWaalsContact C-N 3.25Å; L1268-K1270 PolarHBondContact O-N 2.84Å; L1268-K1270 VanDerWaalsContact O-N 3.14Å
1271K32.8Very low35Very low202 Ų202113 Ų11388%0.87854%0.542SS*.  trans60.364.2160.8-63.6-176173.9-176.80116K1269 L1273K1269-K1271 PolarHBondContact O-N 3.02Å; K1271-L1273 PolarHBondContact O-N 3.09Å
1272T33.9Very low35Very low108 Ų108107 Ų10766%0.66352%0.524SS*.  trans-75107.3157.342.30000109.1
1273L32.4Very low35Very low69 Ų69102.3 Ų102.336%0.36150%0.504SS..  trans-59.5155.4169.4-70.6162000110.4K1271 I1278K1271-L1273 PolarHBondContact O-N 3.09Å; L1273-I1278 HydrophobicContact CB-CD1 3.81Å; L1273-I1278 HydrophobicContact CB-CG1 3.6Å; L1273-I1278 WeakPolarHBondContact O-CD1 3.33Å
1274S33.4Very low34.6Very low53 Ų53108 Ų10837%0.37152%0.523SS..  trans-70.6146.9176.669.50000111.2G1276 E1277 I1278S1274-G1276 PolarHBondContact O-N 3Å; S1274-G1276 VanDerWaalsContact O-N 3.08Å; S1274-E1277 WeakPolarHBondContact CB-OE2 3.4Å; S1274-E1277 PolarHBondContact N-OE2 2.99Å; S1274-E1277 PolarHBondContact O-N 2.93Å; S1274-E1277 VanDerWaalsContact O-N 3.1Å; S1274-E1277 VanDerWaalsContact OG-CD 3.32Å; S1274-E1277 VanDerWaalsContact OG-CG 3.29Å; S1274-E1277 WeakPolarHBondContact OG-CG 3.3Å; S1274-E1277 PolarHBondContact OG-N 3.34Å; S1274-E1277 PolarHBondContact OG-OE2 2.81Å; S1274-I1278 WeakPolarHBondContact O-CD1 3.15Å; S1274-I1278 VanDerWaalsContact O-CG1 3.23Å; S1274-I1278 WeakPolarHBondContact O-CG1 3.44Å; S1274-I1278 PolarHBondContact O-N 3.14Å
1275P31.8Very low34.8Very low101 Ų10199.6 Ų99.666%0.65650%0.498SS*.Hα-helixtrans-53.5-30.9178.9-27.434.3000114.3M1279P1275-M1279 WeakPolarHBondContact O-CB 3.46Å; P1275-M1279 WeakPolarHBondContact O-CG 3.34Å; P1275-M1279 PolarHBondContact O-N 2.93Å
1276G31.7Very low34.5Very low44 Ų44102.2 Ų102.245%0.45451%0.512SS..Hα-helixtrans-69.8-45176.200000113.5S1274 I1278 M1279 L1280S1274-G1276 PolarHBondContact O-N 3Å; S1274-G1276 VanDerWaalsContact O-N 3.08Å; G1276-I1278 VanDerWaalsContact C-N 3.27Å; G1276-I1278 PolarHBondContact O-N 3.25Å; G1276-M1279 PolarHBondContact O-N 3.15Å; G1276-L1280 WeakPolarHBondContact O-CG 3.33Å; G1276-L1280 PolarHBondContact O-N 3.39Å
1277E34.3Very low34.4Very low102 Ų102102.2 Ų102.248%0.47750%0.503SS..Hα-helixtrans-67.1-30.5174.9-70.6168132.700112.2S1274 R1281S1274-E1277 WeakPolarHBondContact CB-OE2 3.4Å; S1274-E1277 PolarHBondContact N-OE2 2.99Å; S1274-E1277 PolarHBondContact O-N 2.93Å; S1274-E1277 VanDerWaalsContact O-N 3.1Å; S1274-E1277 VanDerWaalsContact OG-CD 3.32Å; S1274-E1277 VanDerWaalsContact OG-CG 3.29Å; S1274-E1277 WeakPolarHBondContact OG-CG 3.3Å; S1274-E1277 PolarHBondContact OG-N 3.34Å; S1274-E1277 PolarHBondContact OG-OE2 2.81Å; E1277-R1281 PolarHBondContact O-N 3.06Å; E1277-R1281 VanDerWaalsContact O-N 3.1Å
1278I38.6Very low34Very low13 Ų13102.6 Ų102.67%0.06751%0.509CS..Hα-helixtrans-70.9-48.1176.3-69.8162.7000111L1273 S1274 G1276 L1280 R1281 I1282 P1375L1273-I1278 HydrophobicContact CB-CD1 3.81Å; L1273-I1278 HydrophobicContact CB-CG1 3.6Å; L1273-I1278 WeakPolarHBondContact O-CD1 3.33Å; S1274-I1278 WeakPolarHBondContact O-CD1 3.15Å; S1274-I1278 VanDerWaalsContact O-CG1 3.23Å; S1274-I1278 WeakPolarHBondContact O-CG1 3.44Å; S1274-I1278 PolarHBondContact O-N 3.14Å; G1276-I1278 VanDerWaalsContact C-N 3.27Å; G1276-I1278 PolarHBondContact O-N 3.25Å; I1278-L1280 PolarHBondContact O-N 3.47Å; I1278-R1281 PolarHBondContact O-N 3.43Å; I1278-I1282 HydrophobicContact CG2-CD1 3.67Å; I1278-I1282 HydrophobicContact CG2-CG1 4.42Å; I1278-I1282 WeakPolarHBondContact O-CG1 3.43Å; I1278-I1282 PolarHBondContact O-N 2.96Å; I1278-P1375 HydrophobicContact CB-CG 4.4Å; I1278-P1375 HydrophobicContact CD1-CB 3.91Å; I1278-P1375 HydrophobicContact CD1-CG 3.48Å; I1278-P1375 VanDerWaalsContact CD1-CG 3.48Å; I1278-P1375 HydrophobicContact CG1-CG 3.81Å; I1278-P1375 HydrophobicContact CG2-CG 3.68Å
1279M30.4Very low33.9Very low122 Ų122105.3 Ų105.360%0.60152%0.521SS*.Hα-helixtrans-57.6-40.8173.6-81.3-76.9-90.400110.5P1275 G1276 R1281 I1282 V1283P1275-M1279 WeakPolarHBondContact O-CB 3.46Å; P1275-M1279 WeakPolarHBondContact O-CG 3.34Å; P1275-M1279 PolarHBondContact O-N 2.93Å; G1276-M1279 PolarHBondContact O-N 3.15Å; M1279-R1281 VanDerWaalsContact C-N 3.31Å; M1279-R1281 PolarHBondContact O-N 2.9Å; M1279-I1282 PolarHBondContact O-N 3.46Å; M1279-V1283 HydrophobicContact CE-CG2 4.24Å; M1279-V1283 WeakPolarHBondContact O-CB 3.43Å; M1279-V1283 WeakPolarHBondContact O-CG2 3.45Å; M1279-V1283 PolarHBondContact O-N 2.8Å; M1279-V1283 HydrophobicContact SD-CG2 3.67Å
1280L34.8Very low34Very low106 Ų10699.7 Ų99.756%0.55550%0.497SS*.Hα-helixtrans-64-29.2174.5-79.3165000113.9G1276 I1278 R1284G1276-L1280 WeakPolarHBondContact O-CG 3.33Å; G1276-L1280 PolarHBondContact O-N 3.39Å; I1278-L1280 PolarHBondContact O-N 3.47Å; L1280-R1284 WeakPolarHBondContact O-CB 3.48Å
1281R37Very low34Very low180 Ų18099.4 Ų99.468%0.67949%0.491SS*.Hα-helixtrans-89.2-24.7178.3-79.9-173.1172.9-171.4-0.3114.6E1277 I1278 M1279 P1285E1277-R1281 PolarHBondContact O-N 3.06Å; E1277-R1281 VanDerWaalsContact O-N 3.1Å; I1278-R1281 PolarHBondContact O-N 3.43Å; M1279-R1281 VanDerWaalsContact C-N 3.31Å; M1279-R1281 PolarHBondContact O-N 2.9Å; R1281-P1285 WeakPolarHBondContact O-CD 3.26Å; R1281-P1285 WeakPolarHBondContact O-CG 3.33Å
1282I36.4Very low34.1Very low74 Ų7493.3 Ų93.338%0.37947%0.474SS..Hα-helixtrans-96.1-44.5-178.8-61.8174.9000110.8I1278 M1279 I1286I1278-I1282 HydrophobicContact CG2-CD1 3.67Å; I1278-I1282 HydrophobicContact CG2-CG1 4.42Å; I1278-I1282 WeakPolarHBondContact O-CG1 3.43Å; I1278-I1282 PolarHBondContact O-N 2.96Å; M1279-I1282 PolarHBondContact O-N 3.46Å; I1282-I1286 HydrophobicContact CG2-CD1 4.12Å; I1282-I1286 WeakPolarHBondContact O-CD1 3.44Å; I1282-I1286 VanDerWaalsContact O-CG1 3.3Å; I1282-I1286 WeakPolarHBondContact O-CG1 3.29Å
1283V34Very low34.1Very low50 Ų5091.9 Ų91.930%0.30347%0.472SS..Hα-helixtrans-77.9-41.6-173.9-177.70000111.5M1279 I1286 E1287M1279-V1283 HydrophobicContact CE-CG2 4.24Å; M1279-V1283 WeakPolarHBondContact O-CB 3.43Å; M1279-V1283 WeakPolarHBondContact O-CG2 3.45Å; M1279-V1283 PolarHBondContact O-N 2.8Å; M1279-V1283 HydrophobicContact SD-CG2 3.67Å; V1283-I1286 PolarHBondContact O-N 3.36Å; V1283-I1286 VanDerWaalsContact O-N 3.15Å; V1283-E1287 HydrophobicContact CG1-CG 3.9Å; V1283-E1287 WeakPolarHBondContact O-CB 3.4Å; V1283-E1287 WeakPolarHBondContact O-CG 3.25Å; V1283-E1287 PolarHBondContact O-N 3.46Å
1284R31.5Very low33.9Very low149 Ų14996 Ų9656%0.56248%0.483SS*.Hα-helixtrans-59.7-46.2179.6-100.6-173.4172.7-175.9-2.7113.7L1280 I1286 E1287 E1288L1280-R1284 WeakPolarHBondContact O-CB 3.48Å; R1284-I1286 VanDerWaalsContact C-N 3.25Å; R1284-I1286 PolarHBondContact O-N 2.86Å; R1284-E1287 CarbonylContact O-C 3.38Å; R1284-E1287 PolarHBondContact O-N 2.86Å; R1284-E1288 WeakPolarHBondContact O-CB 3.32Å; R1284-E1288 WeakPolarHBondContact O-CG 3.14Å; R1284-E1288 PolarHBondContact O-N 3.44Å
1285P36Very low33.7Very low52 Ų5296.7 Ų96.734%0.33849%0.492SS..Hα-helixtrans-66.3-27.6177.7-24.636.1000113.2R1281 Q1289R1281-P1285 WeakPolarHBondContact O-CD 3.26Å; R1281-P1285 WeakPolarHBondContact O-CG 3.33Å; P1285-Q1289 VanDerWaalsContact O-CB 3.23Å; P1285-Q1289 WeakPolarHBondContact O-CB 3.5Å; P1285-Q1289 VanDerWaalsContact O-CG 3.22Å; P1285-Q1289 WeakPolarHBondContact O-CG 3.42Å; P1285-Q1289 PolarHBondContact O-N 3.06Å
1286I35.3Very low33.6Very low76 Ų7699 Ų9939%0.3950%0.499SS..Hα-helixtrans-76.3-39.5174.4-64.8172000110.4I1282 V1283 R1284 E1288 Q1289 E1290I1282-I1286 HydrophobicContact CG2-CD1 4.12Å; I1282-I1286 WeakPolarHBondContact O-CD1 3.44Å; I1282-I1286 VanDerWaalsContact O-CG1 3.3Å; I1282-I1286 WeakPolarHBondContact O-CG1 3.29Å; V1283-I1286 PolarHBondContact O-N 3.36Å; V1283-I1286 VanDerWaalsContact O-N 3.15Å; R1284-I1286 VanDerWaalsContact C-N 3.25Å; R1284-I1286 PolarHBondContact O-N 2.86Å; I1286-E1288 VanDerWaalsContact C-N 3.33Å; I1286-Q1289 WeakPolarHBondContact O-CB 3.41Å; I1286-Q1289 PolarHBondContact O-N 2.87Å; I1286-E1290 PolarHBondContact O-N 2.7Å
1287E33.1Very low33.3Very low103 Ų10399.1 Ų99.148%0.48150%0.499SS..Hα-helixtrans-64.3-36.1171.2-74.7-178.6162.700111.8V1283 R1284 R1291V1283-E1287 HydrophobicContact CG1-CG 3.9Å; V1283-E1287 WeakPolarHBondContact O-CB 3.4Å; V1283-E1287 WeakPolarHBondContact O-CG 3.25Å; V1283-E1287 PolarHBondContact O-N 3.46Å; R1284-E1287 CarbonylContact O-C 3.38Å; R1284-E1287 PolarHBondContact O-N 2.86Å; E1287-R1291 VanDerWaalsContact O-CB 3.25Å; E1287-R1291 WeakPolarHBondContact O-CB 3.44Å; E1287-R1291 WeakPolarHBondContact O-CG 3.38Å; E1287-R1291 PolarHBondContact O-N 3.46Å
1288E35Very low32.8Very low119 Ų11999.4 Ų99.456%0.55651%0.513SS*.Hα-helixtrans-73.8-37.6172.9-75.7172.2-178.800111.7R1284 I1286 E1290 R1291 S1292R1284-E1288 WeakPolarHBondContact O-CB 3.32Å; R1284-E1288 WeakPolarHBondContact O-CG 3.14Å; R1284-E1288 PolarHBondContact O-N 3.44Å; I1286-E1288 VanDerWaalsContact C-N 3.33Å; E1288-E1290 VanDerWaalsContact C-N 3.33Å; E1288-E1290 PolarHBondContact O-N 2.97Å; E1288-R1291 PolarHBondContact O-N 3.18Å; E1288-S1292 WeakPolarHBondContact O-CB 3.5Å; E1288-S1292 PolarHBondContact O-N 2.89Å
1289Q36.9Very low32.1Very low115 Ų115104.6 Ų104.654%0.53755%0.55SS.*Hα-helixtrans-59.6-42.4170-88.9176.7-14.600111.4P1285 I1286 A1293P1285-Q1289 VanDerWaalsContact O-CB 3.23Å; P1285-Q1289 WeakPolarHBondContact O-CB 3.5Å; P1285-Q1289 VanDerWaalsContact O-CG 3.22Å; P1285-Q1289 WeakPolarHBondContact O-CG 3.42Å; P1285-Q1289 PolarHBondContact O-N 3.06Å; I1286-Q1289 WeakPolarHBondContact O-CB 3.41Å; I1286-Q1289 PolarHBondContact O-N 2.87Å; Q1289-A1293 WeakPolarHBondContact O-CB 3.36Å; Q1289-A1293 PolarHBondContact O-N 3.36Å
1290E33.4Very low31.8Very low60 Ų60103.6 Ų103.628%0.2856%0.562SS.*Hα-helixtrans-79.3-35.3177.7-75.4-163.6157.300112.7R1140 I1286 E1288 A1293 R1294R1140-E1290 IonicContact CZ-OE1 3.74Å; R1140-E1290 IonicContact CZ-OE2 2.88Å; R1140-E1290 IonicContact NE-OE1 3.29Å; R1140-E1290 PolarHBondContact NE-OE1 3.08Å; R1140-E1290 IonicContact NE-OE2 3.4Å; R1140-E1290 PolarHBondContact NE-OE2 3.23Å; R1140-E1290 IonicContact NH2-OE1 3.52Å; R1140-E1290 IonicContact NH2-OE2 3.97Å; R1140-E1290 PolarHBondContact NH2-OE2 3.31Å; I1286-E1290 PolarHBondContact O-N 2.7Å; E1288-E1290 VanDerWaalsContact C-N 3.33Å; E1288-E1290 PolarHBondContact O-N 2.97Å; E1290-A1293 PolarHBondContact O-N 3.26Å; E1290-R1294 VanDerWaalsContact O-CB 3.27Å; E1290-R1294 WeakPolarHBondContact O-CB 3.46Å; E1290-R1294 VanDerWaalsContact O-CG 3.26Å; E1290-R1294 WeakPolarHBondContact O-CG 3.32Å; E1290-R1294 PolarHBondContact O-N 2.9Å; E1290-R1294 IonicContact OE1-NH2 3.7Å; E1290-R1294 IonicContact OE2-CZ 3.23Å; E1290-R1294 IonicContact OE2-NH2 3.37Å; E1290-R1294 PolarHBondContact OE2-NH2 3.36Å; E1290-R1294 VanDerWaalsContact OE2-NH2 3.13Å
1291R31.7Very low31.1Very low190 Ų190104.7 Ų104.772%0.71757%0.573SS**Hα-helixtrans-63.8-43.3171.8-85-178.2-176.3175.43110.6E1287 E1288 R1294 A1295E1287-R1291 VanDerWaalsContact O-CB 3.25Å; E1287-R1291 WeakPolarHBondContact O-CB 3.44Å; E1287-R1291 WeakPolarHBondContact O-CG 3.38Å; E1287-R1291 PolarHBondContact O-N 3.46Å; E1288-R1291 PolarHBondContact O-N 3.18Å; R1291-R1294 PolarHBondContact O-N 3.47Å; R1291-A1295 WeakPolarHBondContact O-CA 3.47Å; R1291-A1295 WeakPolarHBondContact O-CB 3.2Å; R1291-A1295 PolarHBondContact O-N 3.4Å
1292S35.6Very low30.5Very low74 Ų74100.8 Ų100.852%0.51757%0.573SS.*Hα-helixtrans-67.5-41.2175.5-175.10000111.5E1288 R1294 A1295 D1296E1288-S1292 WeakPolarHBondContact O-CB 3.5Å; E1288-S1292 PolarHBondContact O-N 2.89Å; S1292-R1294 VanDerWaalsContact C-N 3.29Å; S1292-R1294 PolarHBondContact O-N 3.03Å; S1292-A1295 PolarHBondContact O-N 2.98Å; S1292-D1296 PolarHBondContact O-N 3.09Å
1293A33.5Very low29.8Very low77 Ų77104 Ų10464%0.63659%0.591SS**Hα-helixtrans-70.4-20.317600000114.2Q1289 E1290Q1289-A1293 WeakPolarHBondContact O-CB 3.36Å; Q1289-A1293 PolarHBondContact O-N 3.36Å; E1290-A1293 PolarHBondContact O-N 3.26Å
1294R28Very low29.3Very low157 Ų157109 Ų10959%0.59262%0.616SS**Hα-helixtrans-94.4-26.8173.1-71-179.6-167.4161.712.8113.2E1290 R1291 S1292 D1296 G1297E1290-R1294 VanDerWaalsContact O-CB 3.27Å; E1290-R1294 WeakPolarHBondContact O-CB 3.46Å; E1290-R1294 VanDerWaalsContact O-CG 3.26Å; E1290-R1294 WeakPolarHBondContact O-CG 3.32Å; E1290-R1294 PolarHBondContact O-N 2.9Å; E1290-R1294 IonicContact OE1-NH2 3.7Å; E1290-R1294 IonicContact OE2-CZ 3.23Å; E1290-R1294 IonicContact OE2-NH2 3.37Å; E1290-R1294 PolarHBondContact OE2-NH2 3.36Å; E1290-R1294 VanDerWaalsContact OE2-NH2 3.13Å; R1291-R1294 PolarHBondContact O-N 3.47Å; S1292-R1294 VanDerWaalsContact C-N 3.29Å; S1292-R1294 PolarHBondContact O-N 3.03Å; R1294-D1296 VanDerWaalsContact C-N 3.29Å; R1294-D1296 PolarHBondContact O-N 3.09Å; R1294-G1297 PolarHBondContact O-N 2.74Å
1295A29.9Very low28.9Very low67 Ų67106.5 Ų106.555%0.55462%0.622SS**Hα-helixtrans-75.5-15.3179.300000113.3R1291 S1292 G1297R1291-A1295 WeakPolarHBondContact O-CA 3.47Å; R1291-A1295 WeakPolarHBondContact O-CB 3.2Å; R1291-A1295 PolarHBondContact O-N 3.4Å; S1292-A1295 PolarHBondContact O-N 2.98Å; A1295-G1297 PolarHBondContact O-N 2.89Å
1296D28.6Very low28.2Very low150 Ų150112.1 Ų112.180%0.80264%0.643SS**THydrogen-bonded Turntrans-72.713.3170.6-73.9-15.5000113.5S1292 R1294S1292-D1296 PolarHBondContact O-N 3.09Å; R1294-D1296 VanDerWaalsContact C-N 3.29Å; R1294-D1296 PolarHBondContact O-N 3.09Å
1297G25.5Very low27.7Very low45 Ų45116 Ų11646%0.46467%0.665SS.*SBendtrans-132.5107.6164.200000110.8R1294 A1295R1294-G1297 PolarHBondContact O-N 2.74Å; A1295-G1297 PolarHBondContact O-N 2.89Å
1298S23Very low27.2Very low109 Ų109116.7 Ų116.776%0.76268%0.681SS**SBendtrans81.6113.7170.170.90000118.8
1299S24.2Very low26.6Very low121 Ų121118.8 Ų118.885%0.84669%0.69SS**  trans6.2117.1153.3590000118.9
1300A23.9Very low26Very low102 Ų102119.7 Ų119.784%0.84370%0.704SS**  trans-156.4132.6148.400000113
1301T21.7Very low25.5Very low129 Ų129123.9 Ų123.979%0.79173%0.733SS**  trans-57.5146.5177.442.10000116.7
1302S22.9Very low25.1Very low97 Ų97119.6 Ų119.668%0.67873%0.733SS**  trans15.3115.9143.562.50000118.8
1303N22.1Very low24.5Very low142 Ų142125.7 Ų125.776%0.75975%0.753SS**  171114.1128-87.7-7.8000108.5
1304D23.3Very low23.9Very low156 Ų156125.2 Ų125.283%0.83476%0.755SS**  174.6119.7109.6-87.6-25000111.6
1305S23.4Very low23.7Very low96 Ų96125.3 Ų125.367%0.67177%0.768SS**  trans-62.9148.3164.447.10000112.4
1306E21.9Very low23.5Very low169 Ų169127.3 Ų127.379%0.7978%0.784SS**  trans50.4102.8141-62.9-177.617200118.1
1307N24.8Very low23.2Very low159 Ų159124.4 Ų124.485%0.8578%0.776SS**  trans-153.677138.7-96.3-36.8000110.4Q1309N1307-Q1309 PolarHBondContact O-N 3.35Å
1308S22.8Very low23.2Very low116 Ų116129.4 Ų129.481%0.81179%0.792SS**  trans-7989.3156.453.90000108.6
1309Q22.3Very low23.3Very low163 Ų163134.9 Ų134.976%0.76280%0.798SS**  trans-133.9115.1161.7-76.5-167.5-10.200110.3N1307 V1311N1307-Q1309 PolarHBondContact O-N 3.35Å; Q1309-V1311 PolarHBondContact O-N 2.96Å
1310T22.6Very low23.3Very low135 Ų135138.6 Ų138.683%0.82880%0.799SS**  trans-40.4114.2161.942.30000111.2S1312T1310-S1312 PolarHBondContact O-N 3.44Å; T1310-S1312 VanDerWaalsContact O-N 3.08Å
1311V24.1Very low23.1Very low147 Ų147139.2 Ų139.289%0.89180%0.797SS**  trans-78.793.9171.4-177.10000107.9Q1309Q1309-V1311 PolarHBondContact O-N 2.96Å
1312S22.9Very low23.2Very low100 Ų100139.1 Ų139.170%0.69980%0.796SS**  trans-67.6144.3160500000110.2T1310 G1314T1310-S1312 PolarHBondContact O-N 3.44Å; T1310-S1312 VanDerWaalsContact O-N 3.08Å; S1312-G1314 PolarHBondContact O-N 3.43Å; S1312-G1314 VanDerWaalsContact O-N 3.17Å
1313E22.8Very low23.2Very low202 Ų202137.2 Ų137.294%0.94479%0.792SS**  trans-40.8109.9174.1-62.2169.9161.600111.7
1314G21.9Very low23.6Very low67 Ų67140 Ų14069%0.69180%0.8SS**  trans-123.3118175.500000109.5S1312 A1316S1312-G1314 PolarHBondContact O-N 3.43Å; S1312-G1314 VanDerWaalsContact O-N 3.17Å; G1314-A1316 PolarHBondContact O-N 2.95Å
1315D22.6Very low23.7Very low159 Ų159140 Ų14085%0.8580%0.8SS**  trans-48.4110.3-178.4-71.4-52.5000113.2S1317D1315-S1317 VanDerWaalsContact C-N 3.26Å; D1315-S1317 PolarHBondContact O-N 3.44Å
1316A26Very low24Very low109 Ų109143.7 Ų143.790%0.90181%0.811SS**  trans-90.360.6166.300000110.1G1314G1314-A1316 PolarHBondContact O-N 2.95Å
1317S23Very low24.2Very low89 Ų89141.3 Ų141.362%0.62280%0.803SS**  trans-96.987.7160.259.10000107.7D1315D1315-S1317 VanDerWaalsContact C-N 3.26Å; D1315-S1317 PolarHBondContact O-N 3.44Å
1318D24.2Very low24.5Very low150 Ų150142.9 Ų142.980%0.80281%0.806SS**  trans174.960.5157.1-91.6-18.4000112.1
1319Y25.1Very low24.9Very low225 Ų225147.1 Ų147.188%0.88280%0.804SS**SBendtrans-149.9124.8153.3-88.2-78.7000108.2
1320F24.1Very low25.4Very low199 Ų199145.6 Ų145.687%0.87381%0.806SS**  trans85.962.9-170.7-57.2-78.9000116.4
1321S21.4Very low26.3Very low114 Ų114144.1 Ų144.180%0.79780%0.801SS**  trans-73.4128.9139.9167.70000109.1
1322T23.8Very low27.2Very low128 Ų128140.8 Ų140.879%0.78578%0.784SS**  trans140.2112.5163.243.50000106.6
1323G23.1Very low28.6Very low57 Ų57143.5 Ų143.559%0.58879%0.786SS**  cis108.710638.600000106.6L1325G1323-L1325 PolarHBondContact O-N 3.31Å; G1323-L1325 VanDerWaalsContact O-N 3.09Å
1324E28.5Very low30.5Very low199 Ų199135.6 Ų135.693%0.9375%0.747SS**  trans37.863.7144.8-61.5179.4159.100116.5
1325L27.2Very low32.4Very low158 Ų158140.2 Ų140.283%0.82775%0.748SS**  trans-138.459.7162.7-78.4173.9000110.1G1323G1323-L1325 PolarHBondContact O-N 3.31Å; G1323-L1325 VanDerWaalsContact O-N 3.09Å
1326L28.7Very low34.4Very low172 Ų172133.2 Ų133.290%0.90171%0.712SS**  trans-126.768.5151.4-72.7173.9000106.7E1328L1326-E1328 PolarHBondContact O-N 2.87Å
1327D27.2Very low36.4Very low119 Ų119131.3 Ų131.364%0.63668%0.684SS**  trans-47.3129.9156.6-146.811.8000106.8R1329D1327-R1329 HydrophobicContact CB-CG 4.42Å; D1327-R1329 PolarHBondContact O-N 3.31Å; D1327-R1329 IonicContact OD2-NE 3.92Å
1328E29.4Very low38.5Very low193 Ų193131.5 Ų131.590%0.90269%0.685SS**  trans-6653.5177.7-69.5-179.1149.100111.3L1326 T1330L1326-E1328 PolarHBondContact O-N 2.87Å; E1328-T1330 PolarHBondContact O-N 2.92Å
1329R32.4Very low40.5Very low205 Ų205124.9 Ų124.977%0.77465%0.652SS**  trans-73.486.8166.5-69.7-173.6-175.4-166.41.2106.5D1327 S1331D1327-R1329 HydrophobicContact CB-CG 4.42Å; D1327-R1329 PolarHBondContact O-N 3.31Å; D1327-R1329 IonicContact OD2-NE 3.92Å; R1329-S1331 PolarHBondContact O-N 3.1Å
1330T32.7Very low42.8Very low130 Ų130114.2 Ų114.280%0.79861%0.61SS**  trans-4.396.3158.852.30000111.6E1328 S1332E1328-T1330 PolarHBondContact O-N 2.92Å; T1330-S1332 VanDerWaalsContact C-N 3.34Å; T1330-S1332 PolarHBondContact O-N 3.35Å
1331S40.7Very low44.9Very low105 Ų105109.4 Ų109.473%0.73459%0.589SS**  trans-47.1106.8162.8146.20000105.6R1329 E1333R1329-S1331 PolarHBondContact O-N 3.1Å; S1331-E1333 VanDerWaalsContact C-N 3.32Å; S1331-E1333 PolarHBondContact O-N 3.38Å
1332S44.5Very low47Very low76 Ų76106 Ų10653%0.53157%0.565SS.*  trans-60.7104.1172.756.20000105.6T1330 W1334T1330-S1332 VanDerWaalsContact C-N 3.34Å; T1330-S1332 PolarHBondContact O-N 3.35Å; S1332-W1334 PolarHBondContact O-N 3.28Å
1333E52.4Low49.1Very low158 Ų158101.3 Ų101.374%0.73853%0.533SS*.  trans-49.5120.2176.1-72.5179.7159.800108S1331 K1335S1331-E1333 VanDerWaalsContact C-N 3.32Å; S1331-E1333 PolarHBondContact O-N 3.38Å; E1333-K1335 PolarHBondContact O-N 3.43Å
1334W62Low51.4Low35 Ų3598.8 Ų98.813%0.13351%0.506CS..  trans-61.1111.2173.9172.3-92.2000108V1246 L1250 S1332 L1486 S1488V1246-W1334 HydrophobicContact CB-CH2 4.16Å; V1246-W1334 HydrophobicContact CG1-CH2 3.55Å; V1246-W1334 HydrophobicContact CG1-CZ2 4.28Å; V1246-W1334 HydrophobicContact CG2-CH2 4.13Å; L1250-W1334 HydrophobicContact CD1-CH2 4.27Å; L1250-W1334 HydrophobicContact CD1-CZ3 4.14Å; L1250-W1334 HydrophobicContact CD2-CE3 4.25Å; L1250-W1334 HydrophobicContact CD2-CZ3 3.89Å; L1250-W1334 HydrophobicContact CG-CH2 4.47Å; L1250-W1334 HydrophobicContact CG-CZ3 3.86Å; S1332-W1334 PolarHBondContact O-N 3.28Å; W1334-L1486 HydrophobicContact CH2-CD2 4.27Å; W1334-L1486 HydrophobicContact CZ2-CD2 4.11Å; W1334-S1488 PolarHBondContact NE1-O 2.97Å
1335K61.5Low53.1Low164 Ų16492.5 Ų92.571%0.71348%0.475SS*.  trans-95.3115.6172.2-68.9-172.4179.9-178.20108.6E1333E1333-K1335 PolarHBondContact O-N 3.43Å
1336S64.6Low54.7Low12 Ų1288.9 Ų88.98%0.08446%0.462CS..  trans-70.9136.8-179.7164.70000110K1341 L1486 S1487 E1489S1336-K1341 WeakPolarHBondContact OG-CG 3.39Å; S1336-L1486 PolarHBondContact OG-O 3.14Å; S1336-S1487 WeakPolarHBondContact CB-O 3.49Å; S1336-S1487 VanDerWaalsContact OG-C 3.27Å; S1336-S1487 WeakPolarHBondContact OG-CA 3.36Å; S1336-S1487 PolarHBondContact OG-O 2.97Å; S1336-E1489 PolarHBondContact N-OE1 3.44Å
1337H68.7Low56.4Low70 Ų7081.4 Ų81.432%0.32443%0.426SS..  trans-67.8136.2179.2-165.9-84.7000109.8T1242 A1339 Y1340 K1341T1242-H1337 HydrophobicContact CG2-CB 4.27Å; H1337-A1339 WeakPolarHBondContact ND1-CB 3.38Å; H1337-A1339 PolarHBondContact ND1-N 2.85Å; H1337-A1339 PolarHBondContact O-N 3.22Å; H1337-Y1340 HydrophobicContact CB-CD2 3.9Å; H1337-Y1340 HydrophobicContact CB-CE2 4.4Å; H1337-Y1340 PolarHBondContact O-N 2.99Å; H1337-K1341 PolarHBondContact O-N 3.08Å
1338S66.6Low58.1Low92 Ų9277.8 Ų77.864%0.64341%0.406SS*.Hα-helixtrans-53.6-34.5-175.957.30000113.5K1341 S1342S1338-K1341 PolarHBondContact O-N 3.07Å; S1338-S1342 PolarHBondContact O-N 2.87Å; S1338-S1342 VanDerWaalsContact O-N 3.12Å
1339A66.8Low59.9Low12 Ų1277.4 Ų77.410%0.09940%0.404CS..Hα-helixtrans-58.3-47.917500000112.4F1234 H1337 S1342 Y1343F1234-A1339 HydrophobicContact CE2-CB 4.21Å; F1234-A1339 HydrophobicContact CZ-CB 4.18Å; H1337-A1339 WeakPolarHBondContact ND1-CB 3.38Å; H1337-A1339 PolarHBondContact ND1-N 2.85Å; H1337-A1339 PolarHBondContact O-N 3.22Å; A1339-S1342 PolarHBondContact O-N 3.39Å; A1339-S1342 PolarHBondContact O-OG 3.07Å; A1339-Y1343 WeakPolarHBondContact O-CD2 3.47Å; A1339-Y1343 PolarHBondContact O-N 3.34Å
1340Y72.2Confident61.7Low0 Ų068.5 Ų68.50%037%0.372CS..Hα-helixtrans-69.5-40-179.7-66.1-63.4000112.2T1242 I1243 V1246 H1337 S1342 Y1343 Y1344 M1483 L1486T1242-Y1340 HydrophobicContact CG2-CD2 4.28Å; T1242-Y1340 HydrophobicContact CG2-CE2 3.41Å; T1242-Y1340 VanDerWaalsContact CG2-CE2 3.41Å; I1243-Y1340 WeakPolarHBondContact CD1-OH 3.43Å; I1243-Y1340 WeakPolarHBondContact CG1-OH 3.37Å; V1246-Y1340 HydrophobicContact CG2-CE2 4.11Å; H1337-Y1340 HydrophobicContact CB-CD2 3.9Å; H1337-Y1340 HydrophobicContact CB-CE2 4.4Å; H1337-Y1340 PolarHBondContact O-N 2.99Å; Y1340-S1342 PolarHBondContact O-N 2.96Å; Y1340-Y1343 PolarHBondContact O-N 3Å; Y1340-Y1344 HydrophobicContact CD1-CD2 4.28Å; Y1340-Y1344 AromaticContact CD1-CE2 3.88Å; Y1340-Y1344 HydrophobicContact CD1-CE2 3.88Å; Y1340-Y1344 WeakPolarHBondContact O-CD2 3.32Å; Y1340-Y1344 PolarHBondContact O-N 3.28Å; Y1340-M1483 HydrophobicContact CE1-CE 4.01Å; Y1340-L1486 HydrophobicContact CD1-CB 4.39Å; Y1340-L1486 HydrophobicContact CD2-CB 3.94Å; Y1340-L1486 HydrophobicContact CE1-CD1 4.17Å; Y1340-L1486 HydrophobicContact CE2-CB 4.14Å; Y1340-L1486 HydrophobicContact CE2-CD1 3.98Å; Y1340-L1486 HydrophobicContact CG-CB 4.11Å
1341K68.4Low63.7Low99 Ų9964.9 Ų64.943%0.4335%0.35SS..Hα-helixtrans-56.9-32.7172.8-73.9-170.2171.6177.80113S1336 H1337 S1338 E1489S1336-K1341 WeakPolarHBondContact OG-CG 3.39Å; H1337-K1341 PolarHBondContact O-N 3.08Å; S1338-K1341 PolarHBondContact O-N 3.07Å; K1341-E1489 VanDerWaalsContact CE-CD 3.44Å; K1341-E1489 VanDerWaalsContact CE-OE1 3.24Å; K1341-E1489 WeakPolarHBondContact CE-OE1 3.42Å; K1341-E1489 IonicContact NZ-OE1 2.77Å; K1341-E1489 PolarHBondContact NZ-OE1 2.76Å; K1341-E1489 IonicContact NZ-OE2 2.65Å; K1341-E1489 PolarHBondContact NZ-OE2 3.03Å
1342S66.6Low65.3Low42 Ų4265.5 Ų65.529%0.29435%0.345SS..Hα-helixtrans-74.3-27.9-178.675.70000113.8S1338 A1339 Y1340S1338-S1342 PolarHBondContact O-N 2.87Å; S1338-S1342 VanDerWaalsContact O-N 3.12Å; A1339-S1342 PolarHBondContact O-N 3.39Å; A1339-S1342 PolarHBondContact O-OG 3.07Å; Y1340-S1342 PolarHBondContact O-N 2.96Å
1343Y67.1Low66.9Low29 Ų2966.1 Ų66.111%0.11434%0.342CS..Hα-helixtrans-99.2-34.7-176-67.5-63.1000113.2S1230 E1232 F1234 A1339 Y1340 V1498 P1501S1230-Y1343 PolarHBondContact OG-OH 2.81Å; E1232-Y1343 PolarHBondContact O-OH 2.92Å; F1234-Y1343 HydrophobicContact CB-CE2 3.92Å; F1234-Y1343 WeakPolarHBondContact CB-OH 3.18Å; F1234-Y1343 HydrophobicContact CD1-CD2 4.43Å; F1234-Y1343 AromaticContact CD1-CE2 3.87Å; F1234-Y1343 HydrophobicContact CD1-CE2 3.87Å; F1234-Y1343 HydrophobicContact CG-CE2 4.16Å; A1339-Y1343 WeakPolarHBondContact O-CD2 3.47Å; A1339-Y1343 PolarHBondContact O-N 3.34Å; Y1340-Y1343 PolarHBondContact O-N 3Å; Y1343-V1498 WeakPolarHBondContact O-CG2 3.42Å; Y1343-P1501 HydrophobicContact CD1-CG 4.35Å; Y1343-P1501 HydrophobicContact CE1-CG 3.83Å
1344Y71Confident68.2Low5 Ų558.6 Ų58.62%0.0231%0.307CS..PPolyproline II helixtrans-100.7128.4179.4-67.1-67.8000110.4Y1340 T1484 S1487 V1495 C1502 E1503Y1340-Y1344 HydrophobicContact CD1-CD2 4.28Å; Y1340-Y1344 AromaticContact CD1-CE2 3.88Å; Y1340-Y1344 HydrophobicContact CD1-CE2 3.88Å; Y1340-Y1344 WeakPolarHBondContact O-CD2 3.32Å; Y1340-Y1344 PolarHBondContact O-N 3.28Å; Y1344-T1484 HydrophobicContact CD1-CG2 4.22Å; Y1344-T1484 HydrophobicContact CE1-CG2 3.91Å; Y1344-S1487 WeakPolarHBondContact CB-OG 3Å; Y1344-V1495 HydrophobicContact CD1-CG1 3.99Å; Y1344-V1495 HydrophobicContact CG-CG1 4.02Å; Y1344-C1502 HydrophobicContact CE2-CB 4.46Å; Y1344-C1502 WeakPolarHBondContact OH-CB 3.45Å; Y1344-E1503 WeakPolarHBondContact CE1-OE1 3.44Å; Y1344-E1503 VanDerWaalsContact CZ-OE1 3.29Å; Y1344-E1503 PolarHBondContact OH-OE1 3.03Å
1345K64.5Low68.7Low66 Ų6662 Ų6229%0.28732%0.323SS..PPolyproline II helixtrans-103.4149.4175-70.1-167.5-178.6-177.60111.8L1224 H1226 G1347L1224-K1345 HydrophobicContact CD2-CB 4.2Å; H1226-K1345 WeakPolarHBondContact O-CE 3.48Å; H1226-K1345 PolarHBondContact O-NZ 3.15Å; K1345-G1347 PolarHBondContact O-N 3.09Å
1346P61.5Low69.4Low83 Ų8358 Ų5854%0.53931%0.312SS..BIsolated β-bridgetrans-52.2123.5168.9-19.727.8000109.8L1224 E1493L1224-P1346 WeakPolarHBondContact CD2-O 3.43Å; P1346-E1493 VanDerWaalsContact CA-OE1 3.29Å; P1346-E1493 WeakPolarHBondContact CA-OE1 3.4Å; P1346-E1493 HydrophobicContact CB-CG 4.48Å; P1346-E1493 WeakPolarHBondContact CB-OE1 3.26Å; P1346-E1493 WeakPolarHBondContact CG-OE1 3.02Å
1347G63.7Low70.1Confident15 Ų1557.4 Ų57.416%0.15531%0.308CS..PPolyproline II helixtrans-62.7172.5175.500000113.1K1345 A1494K1345-G1347 PolarHBondContact O-N 3.09Å; G1347-A1494 WeakPolarHBondContact CA-O 3.16Å; G1347-A1494 PolarHBondContact N-O 3.04Å
1348L63.6Low70.6Confident42 Ų4254.5 Ų54.522%0.2230%0.295CS..PPolyproline II helixtrans-67.4136.7-178.1-154.772000111.7T1114 P1219 L1350 Y1424T1114-L1348 HydrophobicContact CG2-CD1 3.72Å; T1114-L1348 HydrophobicContact CG2-CD2 3.03Å; T1114-L1348 HydrophobicContact CG2-CG 3.26Å; P1219-L1348 HydrophobicContact CB-CD2 4.3Å; P1219-L1348 HydrophobicContact CG-CD2 3.37Å; L1348-L1350 HydrophobicContact CD2-CD2 4.48Å; L1348-L1350 PolarHBondContact O-N 3.23Å; L1348-L1350 VanDerWaalsContact O-N 3.14Å; L1348-Y1424 HydrophobicContact CB-CE1 4.29Å; L1348-Y1424 WeakPolarHBondContact CB-OH 3.38Å
1349Q66.3Low70.7Confident185 Ų18550.3 Ų50.386%0.86427%0.266SS*.  trans-73105.4171-70.3-135.4-1.400110.3
1350L70.8Confident71Confident19 Ų1951.6 Ų51.610%0.09928%0.276CS..  trans-78.6140.7177.3-63.9179.7000111.8L1218 L1348 Y1354 K1355 I1358 Y1424L1218-L1350 HydrophobicContact CD2-CD1 4.04Å; L1218-L1350 HydrophobicContact CD2-CD2 3.76Å; L1348-L1350 HydrophobicContact CD2-CD2 4.48Å; L1348-L1350 PolarHBondContact O-N 3.23Å; L1348-L1350 VanDerWaalsContact O-N 3.14Å; L1350-Y1354 HydrophobicContact CD2-CD1 4.41Å; L1350-Y1354 HydrophobicContact CD2-CD2 4.49Å; L1350-Y1354 HydrophobicContact CD2-CG 4.14Å; L1350-K1355 HydrophobicContact CB-CG 4.44Å; L1350-K1355 VanDerWaalsContact O-CE 3.24Å; L1350-K1355 WeakPolarHBondContact O-CE 3.47Å; L1350-I1358 HydrophobicContact CD1-CD1 3.74Å; L1350-Y1424 HydrophobicContact CD1-CD1 3.37Å; L1350-Y1424 HydrophobicContact CD1-CD2 4.33Å; L1350-Y1424 HydrophobicContact CD1-CE1 3.81Å; L1350-Y1424 HydrophobicContact CD1-CG 3.67Å; L1350-Y1424 HydrophobicContact CD2-CE1 4.23Å; L1350-Y1424 HydrophobicContact CG-CD1 3.93Å; L1350-Y1424 HydrophobicContact CG-CE1 3.87Å
1351T75.1Confident71.5Confident54 Ų5451.6 Ų51.633%0.33128%0.277SS..  trans-66.3167170.668.70000111.2T1114 D1353 Y1354 K1355T1114-T1351 WeakPolarHBondContact O-CG2 3.17Å; T1351-D1353 PolarHBondContact O-N 2.98Å; T1351-Y1354 PolarHBondContact O-N 2.98Å; T1351-Y1354 WeakPolarHBondContact OG1-CD2 3.34Å; T1351-K1355 WeakPolarHBondContact O-CG 3.37Å; T1351-K1355 PolarHBondContact O-N 2.87Å
1352N73.7Confident71.8Confident117 Ų11747 Ų4763%0.62626%0.257SS*.Hα-helixtrans-64-28.3178.4-73.1-21.2000113K1355 T1356N1352-K1355 PolarHBondContact O-N 3.11Å; N1352-T1356 WeakPolarHBondContact O-CB 3.46Å; N1352-T1356 PolarHBondContact O-N 3.15Å; N1352-T1356 PolarHBondContact O-OG1 2.81Å
1353D77.1Confident71.9Confident89 Ų8948.3 Ų48.348%0.47626%0.261SS..Hα-helixtrans-69.6-44.9179.1-61.6-29.2000111.4L1118 T1351 K1355 T1356 A1357L1118-D1353 HydrophobicContact CD2-CB 4.24Å; T1351-D1353 PolarHBondContact O-N 2.98Å; D1353-K1355 VanDerWaalsContact C-N 3.31Å; D1353-K1355 PolarHBondContact O-N 3.42Å; D1353-T1356 PolarHBondContact O-N 3.45Å; D1353-T1356 VanDerWaalsContact O-N 3.17Å; D1353-A1357 PolarHBondContact O-N 3.49Å
1354Y80Confident72.3Confident0 Ų048 Ų480%026%0.263CS..Hα-helixtrans-57.1-44.9171.4-84.5-78.5000111.5K1113 L1118 L1217 L1218 L1350 T1351 T1356 A1357 I1358K1113-Y1354 PolarHBondContact O-OH 3.4Å; L1118-Y1354 HydrophobicContact CD1-CD1 3.33Å; L1118-Y1354 HydrophobicContact CD1-CD2 4.3Å; L1118-Y1354 HydrophobicContact CD1-CE1 3.15Å; L1118-Y1354 HydrophobicContact CD1-CE2 4.16Å; L1118-Y1354 HydrophobicContact CD1-CG 3.91Å; L1217-Y1354 WeakPolarHBondContact O-CE1 3.37Å; L1218-Y1354 HydrophobicContact CD2-CD1 3.64Å; L1218-Y1354 HydrophobicContact CD2-CE1 3.99Å; L1350-Y1354 HydrophobicContact CD2-CD1 4.41Å; L1350-Y1354 HydrophobicContact CD2-CD2 4.49Å; L1350-Y1354 HydrophobicContact CD2-CG 4.14Å; T1351-Y1354 PolarHBondContact O-N 2.98Å; T1351-Y1354 WeakPolarHBondContact OG1-CD2 3.34Å; Y1354-T1356 VanDerWaalsContact C-N 3.3Å; Y1354-T1356 PolarHBondContact O-N 2.79Å; Y1354-A1357 PolarHBondContact O-N 3.16Å; Y1354-I1358 WeakPolarHBondContact O-CB 3.28Å; Y1354-I1358 VanDerWaalsContact O-CG1 3.25Å; Y1354-I1358 WeakPolarHBondContact O-CG1 3.46Å; Y1354-I1358 PolarHBondContact O-N 2.69Å
1355K73.2Confident72.6Confident108 Ų10847.9 Ų47.947%0.4726%0.262SS..Hα-helixtrans-60.6-40.8177.5-67.9173-173.6168.20111.6L1350 T1351 N1352 D1353 A1359L1350-K1355 HydrophobicContact CB-CG 4.44Å; L1350-K1355 VanDerWaalsContact O-CE 3.24Å; L1350-K1355 WeakPolarHBondContact O-CE 3.47Å; T1351-K1355 WeakPolarHBondContact O-CG 3.37Å; T1351-K1355 PolarHBondContact O-N 2.87Å; N1352-K1355 PolarHBondContact O-N 3.11Å; D1353-K1355 VanDerWaalsContact C-N 3.31Å; D1353-K1355 PolarHBondContact O-N 3.42Å; K1355-A1359 VanDerWaalsContact O-CB 3.24Å; K1355-A1359 WeakPolarHBondContact O-CB 3.29Å; K1355-A1359 PolarHBondContact O-N 3.29Å
1356T75.3Confident72.8Confident78 Ų7846 Ų4648%0.47925%0.254SS..Hα-helixtrans-69.4-39.8179.1-54.40000112.1W1169 N1352 D1353 Y1354 A1359 A1360W1169-T1356 HydrophobicContact CZ2-CG2 4.48Å; N1352-T1356 WeakPolarHBondContact O-CB 3.46Å; N1352-T1356 PolarHBondContact O-N 3.15Å; N1352-T1356 PolarHBondContact O-OG1 2.81Å; D1353-T1356 PolarHBondContact O-N 3.45Å; D1353-T1356 VanDerWaalsContact O-N 3.17Å; Y1354-T1356 VanDerWaalsContact C-N 3.3Å; Y1354-T1356 PolarHBondContact O-N 2.79Å; T1356-A1359 WeakPolarHBondContact O-CB 3.48Å; T1356-A1359 PolarHBondContact O-N 2.62Å; T1356-A1360 PolarHBondContact O-N 3.44Å
1357A79.3Confident73Confident0 Ų043.9 Ų43.90%024%0.243CC..Hα-helixtrans-70.6-40.3177.300000112.7L1118 W1169 P1216 D1353 Y1354 A1359 A1360 F1361L1118-A1357 HydrophobicContact CD2-CB 3.64Å; W1169-A1357 HydrophobicContact CD2-CB 4.24Å; W1169-A1357 HydrophobicContact CE3-CB 3.79Å; W1169-A1357 HydrophobicContact CH2-CB 4Å; W1169-A1357 HydrophobicContact CZ2-CB 4.43Å; W1169-A1357 HydrophobicContact CZ3-CB 3.65Å; P1216-A1357 HydrophobicContact CB-CB 4.13Å; P1216-A1357 HydrophobicContact CG-CB 4.26Å; D1353-A1357 PolarHBondContact O-N 3.49Å; Y1354-A1357 PolarHBondContact O-N 3.16Å; A1357-A1359 VanDerWaalsContact C-N 3.31Å; A1357-A1359 PolarHBondContact O-N 3.09Å; A1357-A1360 PolarHBondContact O-N 3.39Å; A1357-F1361 WeakPolarHBondContact O-CB 3.45Å; A1357-F1361 PolarHBondContact O-N 3.39Å
1358I78.9Confident73.3Confident9 Ų945 Ų455%0.04624%0.244CC..Hα-helixtrans-61-44.4173-67.9166.6000110P1216 L1218 L1350 Y1354 F1361 V1362 L1425P1216-I1358 HydrophobicContact CG-CG1 3.69Å; L1218-I1358 HydrophobicContact CD2-CD1 4.27Å; L1350-I1358 HydrophobicContact CD1-CD1 3.74Å; Y1354-I1358 WeakPolarHBondContact O-CB 3.28Å; Y1354-I1358 VanDerWaalsContact O-CG1 3.25Å; Y1354-I1358 WeakPolarHBondContact O-CG1 3.46Å; Y1354-I1358 PolarHBondContact O-N 2.69Å; I1358-F1361 PolarHBondContact O-N 3.13Å; I1358-V1362 HydrophobicContact CG2-CG2 4.22Å; I1358-V1362 WeakPolarHBondContact O-CB 3.33Å; I1358-V1362 WeakPolarHBondContact O-CG2 3.21Å; I1358-V1362 PolarHBondContact O-N 2.78Å; I1358-L1425 HydrophobicContact CG2-CD1 4.48Å
1359A69Low73.2Confident5 Ų543.4 Ų43.44%0.04124%0.238CC..Hα-helixtrans-56.1-53.5175.800000112.4W1267 K1355 T1356 A1357 F1361 V1362 D1363W1267-A1359 HydrophobicContact CD2-CB 4.22Å; W1267-A1359 HydrophobicContact CE3-CB 3.97Å; W1267-A1359 HydrophobicContact CH2-CB 3.11Å; W1267-A1359 HydrophobicContact CZ2-CB 3.37Å; W1267-A1359 HydrophobicContact CZ3-CB 3.43Å; W1267-A1359 VanDerWaalsContact CZ3-CB 3.43Å; K1355-A1359 VanDerWaalsContact O-CB 3.24Å; K1355-A1359 WeakPolarHBondContact O-CB 3.29Å; K1355-A1359 PolarHBondContact O-N 3.29Å; T1356-A1359 WeakPolarHBondContact O-CB 3.48Å; T1356-A1359 PolarHBondContact O-N 2.62Å; A1357-A1359 VanDerWaalsContact C-N 3.31Å; A1357-A1359 PolarHBondContact O-N 3.09Å; A1359-F1361 VanDerWaalsContact C-N 3.32Å; A1359-F1361 PolarHBondContact O-N 3.44Å; A1359-V1362 PolarHBondContact O-N 3.04Å; A1359-D1363 WeakPolarHBondContact O-CB 3.45Å; A1359-D1363 PolarHBondContact O-N 3.44Å
1360A73.8Confident72.4Confident38 Ų3839.3 Ų39.331%0.31422%0.215SC..Hα-helixtrans-60.8-40.1179.800000112.7W1169 T1356 A1357 S1364W1169-A1360 HydrophobicContact CH2-CB 4.32Å; T1356-A1360 PolarHBondContact O-N 3.44Å; A1357-A1360 PolarHBondContact O-N 3.39Å; A1360-S1364 PolarHBondContact O-N 3.5Å; A1360-S1364 PolarHBondContact O-OG 3.06Å
1361F82Confident71.5Confident1 Ų145 Ų450%0.00425%0.245CC..Hα-helixtrans-61.8-47.7174.4171-112.8000111.8I1125 L1160 T1213 V1214 V1215 A1357 I1358 A1359 S1364 V1365 F1418 C1421I1125-F1361 HydrophobicContact CD1-CD2 4.39Å; I1125-F1361 HydrophobicContact CD1-CE2 3.97Å; L1160-F1361 HydrophobicContact CD1-CE2 3.72Å; L1160-F1361 HydrophobicContact CD1-CZ 4.09Å; L1160-F1361 HydrophobicContact CD2-CZ 4.3Å; T1213-F1361 HydrophobicContact CG2-CD2 4.31Å; T1213-F1361 HydrophobicContact CG2-CE2 4.46Å; V1214-F1361 WeakPolarHBondContact O-CB 3.46Å; V1214-F1361 VanDerWaalsContact O-CD2 3.27Å; V1214-F1361 WeakPolarHBondContact O-CD2 3.35Å; V1215-F1361 HydrophobicContact CG2-CD2 3.87Å; V1215-F1361 HydrophobicContact CG2-CE2 3.48Å; V1215-F1361 VanDerWaalsContact CG2-CE2 3.48Å; V1215-F1361 HydrophobicContact CG2-CZ 3.94Å; A1357-F1361 WeakPolarHBondContact O-CB 3.45Å; A1357-F1361 PolarHBondContact O-N 3.39Å; I1358-F1361 PolarHBondContact O-N 3.13Å; A1359-F1361 VanDerWaalsContact C-N 3.32Å; A1359-F1361 PolarHBondContact O-N 3.44Å; F1361-S1364 VanDerWaalsContact O-CB 3.28Å; F1361-S1364 WeakPolarHBondContact O-CB 3.33Å; F1361-S1364 PolarHBondContact O-N 3.41Å; F1361-S1364 VanDerWaalsContact O-N 3.12Å; F1361-V1365 HydrophobicContact CD2-CG2 4.45Å; F1361-V1365 HydrophobicContact CE1-CG2 4.11Å; F1361-V1365 HydrophobicContact CE2-CG2 3.86Å; F1361-V1365 HydrophobicContact CZ-CG2 3.67Å; F1361-V1365 WeakPolarHBondContact O-CG2 3.49Å; F1361-V1365 PolarHBondContact O-N 2.98Å; F1361-F1418 AromaticContact CE1-CD2 3.47Å; F1361-F1418 HydrophobicContact CE1-CD2 3.47Å; F1361-F1418 VanDerWaalsContact CE1-CD2 3.47Å; F1361-F1418 AromaticContact CE1-CE2 3.53Å; F1361-F1418 HydrophobicContact CE1-CE2 3.53Å; F1361-F1418 AromaticContact CZ-CD2 3.42Å; F1361-F1418 HydrophobicContact CZ-CD2 3.42Å; F1361-F1418 VanDerWaalsContact CZ-CD2 3.42Å; F1361-F1418 AromaticContact CZ-CE2 3.46Å; F1361-F1418 HydrophobicContact CZ-CE2 3.46Å; F1361-F1418 VanDerWaalsContact CZ-CE2 3.46Å; F1361-F1418 HydrophobicContact CZ-CG 4.29Å; F1361-F1418 HydrophobicContact CZ-CZ 4.33Å; F1361-C1421 HydrophobicContact CD1-CB 4.43Å; F1361-C1421 HydrophobicContact CE1-CB 4.5Å
1362V75.4Confident70.3Confident2 Ų248.7 Ų48.71%0.01225%0.253CS..Hα-helixtrans-67.8-39.6-178.71690000111.6I1358 A1359 S1364 V1365 Y1366 V1380 T1384 L1425I1358-V1362 HydrophobicContact CG2-CG2 4.22Å; I1358-V1362 WeakPolarHBondContact O-CB 3.33Å; I1358-V1362 WeakPolarHBondContact O-CG2 3.21Å; I1358-V1362 PolarHBondContact O-N 2.78Å; A1359-V1362 PolarHBondContact O-N 3.04Å; V1362-S1364 PolarHBondContact O-N 2.98Å; V1362-V1365 PolarHBondContact O-N 2.91Å; V1362-Y1366 WeakPolarHBondContact O-CB 3.1Å; V1362-Y1366 PolarHBondContact O-N 2.83Å; V1362-V1380 HydrophobicContact CG1-CG1 3.3Å; V1362-T1384 HydrophobicContact CG2-CG2 4.4Å; V1362-L1425 HydrophobicContact CB-CD1 4.28Å; V1362-L1425 HydrophobicContact CB-CD2 4.28Å; V1362-L1425 HydrophobicContact CG1-CD1 4Å; V1362-L1425 HydrophobicContact CG1-CD2 3.64Å; V1362-L1425 HydrophobicContact CG1-CG 4.45Å; V1362-L1425 HydrophobicContact CG2-CD1 3.85Å; V1362-L1425 HydrophobicContact CG2-CD2 3.62Å; V1362-L1425 HydrophobicContact CG2-CG 4.18Å
1363D68.5Low68.8Low70 Ų7044.5 Ų44.537%0.37423%0.231SC..Hα-helixtrans-59.9-35.7171.9-76-13.6000110.8A1359 A1367A1359-D1363 WeakPolarHBondContact O-CB 3.45Å; A1359-D1363 PolarHBondContact O-N 3.44Å; D1363-A1367 WeakPolarHBondContact O-CB 3.39Å; D1363-A1367 PolarHBondContact O-N 3.28Å
1364S75.7Confident67.2Low23 Ų2342.4 Ų42.416%0.16122%0.223CC..Hα-helixtrans-67.8-43.5175.2-53.50000112.3T1213 A1360 F1361 V1362 Y1366 A1367 M1368T1213-S1364 WeakPolarHBondContact OG1-CB 3.48Å; T1213-S1364 PolarHBondContact OG1-OG 3.01Å; A1360-S1364 PolarHBondContact O-N 3.5Å; A1360-S1364 PolarHBondContact O-OG 3.06Å; F1361-S1364 VanDerWaalsContact O-CB 3.28Å; F1361-S1364 WeakPolarHBondContact O-CB 3.33Å; F1361-S1364 PolarHBondContact O-N 3.41Å; F1361-S1364 VanDerWaalsContact O-N 3.12Å; V1362-S1364 PolarHBondContact O-N 2.98Å; S1364-Y1366 VanDerWaalsContact C-N 3.35Å; S1364-A1367 PolarHBondContact O-N 2.68Å; S1364-M1368 PolarHBondContact O-N 2.87Å
1365V77.9Confident65.2Low1 Ų143.5 Ų43.51%0.00623%0.23CC..Hα-helixtrans-62.4-45.4175.1177.20000110.2I1125 V1158 F1361 V1362 G1369 T1384 A1387I1125-V1365 HydrophobicContact CD1-CB 4.25Å; I1125-V1365 HydrophobicContact CD1-CG2 3.44Å; I1125-V1365 VanDerWaalsContact CD1-CG2 3.44Å; I1125-V1365 HydrophobicContact CG1-CG2 4.35Å; V1158-V1365 HydrophobicContact CG1-CG1 4.29Å; F1361-V1365 HydrophobicContact CD2-CG2 4.45Å; F1361-V1365 HydrophobicContact CE1-CG2 4.11Å; F1361-V1365 HydrophobicContact CE2-CG2 3.86Å; F1361-V1365 HydrophobicContact CZ-CG2 3.67Å; F1361-V1365 WeakPolarHBondContact O-CG2 3.49Å; F1361-V1365 PolarHBondContact O-N 2.98Å; V1362-V1365 PolarHBondContact O-N 2.91Å; V1365-G1369 PolarHBondContact O-N 3.43Å; V1365-T1384 HydrophobicContact CG1-CG2 4.37Å; V1365-A1387 HydrophobicContact CG1-CB 3.81Å
1366Y68.9Low63.8Low28 Ų2840.1 Ų40.111%0.1122%0.22CC..Hα-helixtrans-66.2-45.4178.4-179.9-111.5000111.4V1362 S1364 M1368 G1369 Y1370 V1380V1362-Y1366 WeakPolarHBondContact O-CB 3.1Å; V1362-Y1366 PolarHBondContact O-N 2.83Å; S1364-Y1366 VanDerWaalsContact C-N 3.35Å; Y1366-M1368 VanDerWaalsContact C-N 3.28Å; Y1366-M1368 PolarHBondContact O-N 3.21Å; Y1366-G1369 CarbonylContact O-C 3.6Å; Y1366-G1369 WeakPolarHBondContact O-CA 3.16Å; Y1366-G1369 PolarHBondContact O-N 3.05Å; Y1366-Y1370 HydrophobicContact CD1-CD2 4.45Å; Y1366-Y1370 AromaticContact CE1-CD2 3.53Å; Y1366-Y1370 HydrophobicContact CE1-CD2 3.53Å; Y1366-Y1370 HydrophobicContact CE1-CE2 4.29Å; Y1366-Y1370 HydrophobicContact CE1-CG 4.16Å; Y1366-Y1370 AromaticContact CZ-CD2 3.61Å; Y1366-Y1370 WeakPolarHBondContact O-CA 3.48Å; Y1366-Y1370 WeakPolarHBondContact O-CB 3.46Å; Y1366-Y1370 PolarHBondContact O-N 3.34Å; Y1366-Y1370 WeakPolarHBondContact OH-CD2 3.46Å; Y1366-V1380 HydrophobicContact CD1-CG2 3.96Å; Y1366-V1380 HydrophobicContact CD2-CB 4.24Å; Y1366-V1380 HydrophobicContact CD2-CG2 3.81Å; Y1366-V1380 HydrophobicContact CE1-CG2 4.09Å; Y1366-V1380 HydrophobicContact CE2-CG2 3.95Å; Y1366-V1380 HydrophobicContact CG-CB 4.4Å; Y1366-V1380 HydrophobicContact CG-CG1 4.48Å; Y1366-V1380 HydrophobicContact CG-CG2 3.8Å
1367A65.4Low62.4Low37 Ų3737.9 Ų37.931%0.30621%0.208SC..Hα-helixtrans-56.9-41.1178.200000112.1D1363 S1364 G1369 Y1370D1363-A1367 WeakPolarHBondContact O-CB 3.39Å; D1363-A1367 PolarHBondContact O-N 3.28Å; S1364-A1367 PolarHBondContact O-N 2.68Å; A1367-G1369 VanDerWaalsContact C-N 3.32Å; A1367-G1369 PolarHBondContact O-N 2.56Å; A1367-Y1370 WeakPolarHBondContact O-CB 3.14Å; A1367-Y1370 PolarHBondContact O-N 2.95Å
1368M69.2Low61.1Low38 Ų3841.1 Ų41.119%0.18722%0.22CC..Hα-helixtrans-66.4-34.3174.8-162.565.461.700112.2I1125 V1158 P1199 S1364 Y1366I1125-M1368 HydrophobicContact CG2-CB 3.81Å; I1125-M1368 HydrophobicContact CG2-CG 3.97Å; I1125-M1368 WeakPolarHBondContact O-CE 3.44Å; V1158-M1368 HydrophobicContact CG2-CB 4.48Å; P1199-M1368 HydrophobicContact CG-CE 4.14Å; S1364-M1368 PolarHBondContact O-N 2.87Å; Y1366-M1368 VanDerWaalsContact C-N 3.28Å; Y1366-M1368 PolarHBondContact O-N 3.21Å
1369G61.3Low60.5Low9 Ų942 Ų429%0.09322%0.223CC..Hα-helixtrans-79-26.4172.400000115V1365 Y1366 A1367 I1371 R1372V1365-G1369 PolarHBondContact O-N 3.43Å; Y1366-G1369 CarbonylContact O-C 3.6Å; Y1366-G1369 WeakPolarHBondContact O-CA 3.16Å; Y1366-G1369 PolarHBondContact O-N 3.05Å; A1367-G1369 VanDerWaalsContact C-N 3.32Å; A1367-G1369 PolarHBondContact O-N 2.56Å; G1369-I1371 VanDerWaalsContact C-N 3.3Å; G1369-I1371 PolarHBondContact O-N 2.83Å; G1369-R1372 WeakPolarHBondContact O-CB 3.39Å; G1369-R1372 PolarHBondContact O-N 3.27Å
1370Y50.7Low60.5Low99 Ų9942.1 Ų42.139%0.38822%0.223SC..Hα-helixtrans-67.4-25.3-167.7172.7-103000113.2Y1366 A1367 R1372 T1373 P1375Y1366-Y1370 HydrophobicContact CD1-CD2 4.45Å; Y1366-Y1370 AromaticContact CE1-CD2 3.53Å; Y1366-Y1370 HydrophobicContact CE1-CD2 3.53Å; Y1366-Y1370 HydrophobicContact CE1-CE2 4.29Å; Y1366-Y1370 HydrophobicContact CE1-CG 4.16Å; Y1366-Y1370 AromaticContact CZ-CD2 3.61Å; Y1366-Y1370 WeakPolarHBondContact O-CA 3.48Å; Y1366-Y1370 WeakPolarHBondContact O-CB 3.46Å; Y1366-Y1370 PolarHBondContact O-N 3.34Å; Y1366-Y1370 WeakPolarHBondContact OH-CD2 3.46Å; A1367-Y1370 WeakPolarHBondContact O-CB 3.14Å; A1367-Y1370 PolarHBondContact O-N 2.95Å; Y1370-R1372 PolarHBondContact O-N 3.19Å; Y1370-T1373 PolarHBondContact O-N 2.94Å; Y1370-P1375 HydrophobicContact CE2-CB 4.03Å; Y1370-P1375 HydrophobicContact CE2-CG 4.06Å
1371I50.3Low60.4Low140 Ų14040.4 Ų40.472%0.71821%0.209SC*.THydrogen-bonded Turntrans-53.9-7.4171.6-65.3173.1000111.7G1369G1369-I1371 VanDerWaalsContact C-N 3.3Å; G1369-I1371 PolarHBondContact O-N 2.83Å
1372R50.4Low60.1Low131 Ų13140.5 Ų40.549%0.49421%0.209SC..THydrogen-bonded Turntrans-125.3-18.8-174-55-179.1-179.9-168.5-1.5116.6D1127 S1156 G1369 Y1370D1127-R1372 IonicContact OD1-NH2 2.82Å; D1127-R1372 IonicContact OD2-CZ 3.99Å; D1127-R1372 IonicContact OD2-NH2 3.45Å; D1127-R1372 PolarHBondContact OD2-NH2 3.36Å; S1156-R1372 PolarHBondContact O-NH1 3.26Å; S1156-R1372 PolarHBondContact OG-NH1 2.92Å; S1156-R1372 PolarHBondContact OG-NH2 3.29Å; G1369-R1372 WeakPolarHBondContact O-CB 3.39Å; G1369-R1372 PolarHBondContact O-N 3.27Å; Y1370-R1372 PolarHBondContact O-N 3.19Å
1373T41.5Very low60.2Low28 Ų2841 Ų4117%0.17221%0.212CC..SBendtrans-126.7142.6-166.354.90000112.7Y1147 Y1370Y1147-T1373 HydrophobicContact CD2-CG2 4.36Å; Y1147-T1373 HydrophobicContact CE2-CG2 3.76Å; Y1370-T1373 PolarHBondContact O-N 2.94Å
1374S44Very low60.9Low45 Ų4537.6 Ų37.632%0.31519%0.194SC..  trans-53148.8178-179.50000112.3C1376 Y1379S1374-C1376 VanDerWaalsContact C-N 3.3Å; S1374-C1376 PolarHBondContact O-N 3.45Å; S1374-Y1379 WeakPolarHBondContact O-CD2 3.42Å; S1374-Y1379 WeakPolarHBondContact O-CE2 3.35Å
1375P38.9Very low61.4Low23 Ų2336.6 Ų36.615%0.14919%0.187CC..  trans-82.234.5-169-13.432.5000116.1I1278 Y1370I1278-P1375 HydrophobicContact CB-CG 4.4Å; I1278-P1375 HydrophobicContact CD1-CB 3.91Å; I1278-P1375 HydrophobicContact CD1-CG 3.48Å; I1278-P1375 VanDerWaalsContact CD1-CG 3.48Å; I1278-P1375 HydrophobicContact CG1-CG 3.81Å; I1278-P1375 HydrophobicContact CG2-CG 3.68Å; Y1370-P1375 HydrophobicContact CE2-CB 4.03Å; Y1370-P1375 HydrophobicContact CE2-CG 4.06Å
1376C42.9Very low61.7Low38 Ų3838.6 Ų38.626%0.25720%0.196SC..  trans-84.6136173.5-52.40000111.5S1374 Y1378 Y1379S1374-C1376 VanDerWaalsContact C-N 3.3Å; S1374-C1376 PolarHBondContact O-N 3.45Å; C1376-Y1378 HydrophobicContact CB-CD1 3.25Å; C1376-Y1378 HydrophobicContact CB-CD2 4.36Å; C1376-Y1378 HydrophobicContact CB-CE1 2.9Å; C1376-Y1378 HydrophobicContact CB-CE2 4.11Å; C1376-Y1378 HydrophobicContact CB-CG 3.96Å; C1376-Y1378 PolarHBondContact O-N 3.37Å; C1376-Y1378 WeakPolarHBondContact SG-CE1 3.36Å; C1376-Y1378 PolarHBondContact SG-OH 2.96Å; C1376-Y1378 VanDerWaalsContact SG-OH 3.41Å; C1376-Y1379 HydrophobicContact CB-CD2 3.71Å; C1376-Y1379 HydrophobicContact CB-CE2 3.49Å; C1376-Y1379 VanDerWaalsContact CB-CE2 3.49Å; C1376-Y1379 WeakPolarHBondContact O-CD2 3.4Å; C1376-Y1379 PolarHBondContact O-N 3.07Å
1377S46.7Very low62.6Low30 Ų3037.4 Ų37.421%0.2119%0.193CC..THydrogen-bonded Turntrans-57.5-16-178.727.90000114.8V1260 Y1379 F1429V1260-S1377 WeakPolarHBondContact CB-OG 3.46Å; V1260-S1377 WeakPolarHBondContact CG1-OG 3.41Å; S1377-Y1379 PolarHBondContact O-N 3.29Å; S1377-F1429 WeakPolarHBondContact O-CE1 3.26Å
1378Y52.5Low63.8Low68 Ų6835.7 Ų35.727%0.26718%0.178SC..THydrogen-bonded Turntrans-64.9-21.117259.6-106.6000114.3C1376 Y1433C1376-Y1378 HydrophobicContact CB-CD1 3.25Å; C1376-Y1378 HydrophobicContact CB-CD2 4.36Å; C1376-Y1378 HydrophobicContact CB-CE1 2.9Å; C1376-Y1378 HydrophobicContact CB-CE2 4.11Å; C1376-Y1378 HydrophobicContact CB-CG 3.96Å; C1376-Y1378 PolarHBondContact O-N 3.37Å; C1376-Y1378 WeakPolarHBondContact SG-CE1 3.36Å; C1376-Y1378 PolarHBondContact SG-OH 2.96Å; C1376-Y1378 VanDerWaalsContact SG-OH 3.41Å; Y1378-Y1433 VanDerWaalsContact CA-OH 3.3Å; Y1378-Y1433 WeakPolarHBondContact CA-OH 3.33Å; Y1378-Y1433 WeakPolarHBondContact CB-OH 3.33Å; Y1378-Y1433 PolarHBondContact O-OH 3.46Å
1379Y64.6Low64.8Low29 Ų2934 Ų3411%0.11417%0.17CC..Hα-helixtrans-76.4-26.3-177-64.5-74.9000114.4Y1147 S1374 C1376 S1377 L1381 Q1382 T1383Y1147-Y1379 AromaticContact CD1-CD1 3.55Å; Y1147-Y1379 HydrophobicContact CD1-CD1 3.55Å; Y1147-Y1379 AromaticContact CD1-CE1 3.74Å; Y1147-Y1379 HydrophobicContact CD1-CE1 3.74Å; Y1147-Y1379 AromaticContact CD2-CD1 3.84Å; Y1147-Y1379 HydrophobicContact CD2-CD1 3.84Å; Y1147-Y1379 AromaticContact CD2-CE1 3.85Å; Y1147-Y1379 HydrophobicContact CD2-CE1 3.85Å; Y1147-Y1379 AromaticContact CE1-CD1 3.34Å; Y1147-Y1379 HydrophobicContact CE1-CD1 3.34Å; Y1147-Y1379 HydrophobicContact CE1-CE1 4.03Å; Y1147-Y1379 HydrophobicContact CE1-CG 4.27Å; Y1147-Y1379 AromaticContact CE2-CD1 3.67Å; Y1147-Y1379 HydrophobicContact CE2-CD1 3.67Å; Y1147-Y1379 HydrophobicContact CE2-CE1 4.15Å; Y1147-Y1379 AromaticContact CG-CD1 3.81Å; Y1147-Y1379 HydrophobicContact CG-CD1 3.81Å; Y1147-Y1379 AromaticContact CG-CE1 3.65Å; Y1147-Y1379 HydrophobicContact CG-CE1 3.65Å; Y1147-Y1379 AromaticContact CZ-CD1 3.42Å; Y1147-Y1379 VanDerWaalsContact CZ-CD1 3.42Å; Y1147-Y1379 PolarHBondContact OH-O 3.45Å; S1374-Y1379 WeakPolarHBondContact O-CD2 3.42Å; S1374-Y1379 WeakPolarHBondContact O-CE2 3.35Å; C1376-Y1379 HydrophobicContact CB-CD2 3.71Å; C1376-Y1379 HydrophobicContact CB-CE2 3.49Å; C1376-Y1379 VanDerWaalsContact CB-CE2 3.49Å; C1376-Y1379 WeakPolarHBondContact O-CD2 3.4Å; C1376-Y1379 PolarHBondContact O-N 3.07Å; S1377-Y1379 PolarHBondContact O-N 3.29Å; Y1379-L1381 PolarHBondContact O-N 2.64Å; Y1379-Q1382 PolarHBondContact O-N 3.19Å; Y1379-T1383 PolarHBondContact O-N 3.38Å; Y1379-T1383 PolarHBondContact O-OG1 2.83Å; Y1379-T1383 VanDerWaalsContact O-OG1 3.14Å
1380V69.3Low66Low7 Ų733.7 Ų33.74%0.04217%0.166CC..Hα-helixtrans-63.2-48.2-171176.10000112.3V1362 Y1366 Q1382 T1384 F1429V1362-V1380 HydrophobicContact CG1-CG1 3.3Å; Y1366-V1380 HydrophobicContact CD1-CG2 3.96Å; Y1366-V1380 HydrophobicContact CD2-CB 4.24Å; Y1366-V1380 HydrophobicContact CD2-CG2 3.81Å; Y1366-V1380 HydrophobicContact CE1-CG2 4.09Å; Y1366-V1380 HydrophobicContact CE2-CG2 3.95Å; Y1366-V1380 HydrophobicContact CG-CB 4.4Å; Y1366-V1380 HydrophobicContact CG-CG1 4.48Å; Y1366-V1380 HydrophobicContact CG-CG2 3.8Å; V1380-Q1382 VanDerWaalsContact C-N 3.34Å; V1380-Q1382 PolarHBondContact O-N 3.49Å; V1380-T1384 WeakPolarHBondContact O-CB 3.24Å; V1380-T1384 PolarHBondContact O-N 3.43Å; V1380-T1384 VanDerWaalsContact O-N 3.16Å; V1380-T1384 PolarHBondContact O-OG1 2.86Å; V1380-F1429 HydrophobicContact CB-CE1 4.44Å; V1380-F1429 HydrophobicContact CB-CZ 3.72Å; V1380-F1429 HydrophobicContact CG1-CE2 4.27Å; V1380-F1429 HydrophobicContact CG1-CZ 3.81Å
1381L72.5Confident67.9Low2 Ų229.1 Ų29.11%0.0115%0.148CC..Hα-helixtrans-61.7-44.9-177.7-173.667.9000111.4Y1379 T1384 Y1385 L1425 F1429 Y1433 L1434Y1379-L1381 PolarHBondContact O-N 2.64Å; L1381-T1384 PolarHBondContact O-N 3.37Å; L1381-Y1385 HydrophobicContact CD1-CD1 4.41Å; L1381-Y1385 HydrophobicContact CD1-CE1 3.66Å; L1381-Y1385 HydrophobicContact CD1-CE2 3.98Å; L1381-Y1385 VanDerWaalsContact CD1-CZ 3.45Å; L1381-Y1385 WeakPolarHBondContact CD1-OH 3.26Å; L1381-Y1385 HydrophobicContact CD2-CE2 3.87Å; L1381-Y1385 HydrophobicContact CG-CD2 4.15Å; L1381-Y1385 HydrophobicContact CG-CE1 4.17Å; L1381-Y1385 HydrophobicContact CG-CE2 3.67Å; L1381-Y1385 PolarHBondContact O-N 3.45Å; L1381-L1425 HydrophobicContact CD1-CB 4.39Å; L1381-L1425 HydrophobicContact CD1-CD2 3.7Å; L1381-L1425 HydrophobicContact CD1-CG 3.81Å; L1381-F1429 HydrophobicContact CB-CD2 4.22Å; L1381-F1429 HydrophobicContact CB-CE2 4.22Å; L1381-F1429 HydrophobicContact CD1-CD2 3.98Å; L1381-F1429 HydrophobicContact CD1-CE2 4.36Å; L1381-Y1433 HydrophobicContact CB-CE1 4.29Å; L1381-Y1433 HydrophobicContact CD2-CD1 4.04Å; L1381-Y1433 HydrophobicContact CD2-CE1 3.77Å; L1381-L1434 HydrophobicContact CD2-CD2 3.51Å
1382Q74.8Confident69.7Low2 Ų222.4 Ų22.41%0.00911%0.114CC..Hα-helixtrans-72-43.5-174.9179.4161.69.300112.5Y1147 Y1148 Y1379 V1380 T1384 Y1385 Q1386 L1478Y1147-Q1382 HydrophobicContact CD1-CG 4.41Å; Y1147-Q1382 HydrophobicContact CE1-CB 3.69Å; Y1147-Q1382 HydrophobicContact CE1-CG 3.65Å; Y1147-Q1382 VanDerWaalsContact O-CD 3.26Å; Y1147-Q1382 PolarHBondContact O-NE2 3.39Å; Y1147-Q1382 PolarHBondContact O-OE1 3.36Å; Y1148-Q1382 VanDerWaalsContact CA-NE2 3.28Å; Y1148-Q1382 PolarHBondContact O-NE2 3.41Å; Y1379-Q1382 PolarHBondContact O-N 3.19Å; V1380-Q1382 VanDerWaalsContact C-N 3.34Å; V1380-Q1382 PolarHBondContact O-N 3.49Å; Q1382-T1384 PolarHBondContact O-N 3.09Å; Q1382-Y1385 PolarHBondContact O-N 2.78Å; Q1382-Q1386 HydrophobicContact CG-CG 4.4Å; Q1382-Q1386 WeakPolarHBondContact O-CB 3.48Å; Q1382-Q1386 VanDerWaalsContact O-CG 3.25Å; Q1382-Q1386 WeakPolarHBondContact O-CG 3.14Å; Q1382-Q1386 PolarHBondContact O-N 3.25Å; Q1382-L1478 HydrophobicContact CG-CD2 4.34Å
1383T77.8Confident71.5Confident12 Ų1216.8 Ų16.87%0.0749%0.093CC..Hα-helixtrans-55.2-40.8171.8-64.60000110.9Y1147 Y1379 Q1386 A1387Y1147-T1383 PolarHBondContact OH-N 3.15Å; Y1147-T1383 PolarHBondContact OH-OG1 3.03Å; Y1379-T1383 PolarHBondContact O-N 3.38Å; Y1379-T1383 PolarHBondContact O-OG1 2.83Å; Y1379-T1383 VanDerWaalsContact O-OG1 3.14Å; T1383-Q1386 PolarHBondContact O-N 3.05Å; T1383-A1387 WeakPolarHBondContact O-CB 3.29Å; T1383-A1387 PolarHBondContact O-N 3.02Å
1384T82.6Confident73.7Confident0 Ų015.6 Ų15.60%09%0.085CC..Hα-helixtrans-67.7-43.4179.6-50.50000111.9V1362 V1365 V1380 L1381 Q1382 Q1386 A1387 L1388 F1418 V1422 L1425V1362-T1384 HydrophobicContact CG2-CG2 4.4Å; V1365-T1384 HydrophobicContact CG1-CG2 4.37Å; V1380-T1384 WeakPolarHBondContact O-CB 3.24Å; V1380-T1384 PolarHBondContact O-N 3.43Å; V1380-T1384 VanDerWaalsContact O-N 3.16Å; V1380-T1384 PolarHBondContact O-OG1 2.86Å; L1381-T1384 PolarHBondContact O-N 3.37Å; Q1382-T1384 PolarHBondContact O-N 3.09Å; T1384-Q1386 VanDerWaalsContact C-N 3.35Å; T1384-Q1386 PolarHBondContact O-N 3.3Å; T1384-A1387 PolarHBondContact O-N 2.98Å; T1384-L1388 PolarHBondContact O-N 3.5Å; T1384-L1388 VanDerWaalsContact O-N 3.12Å; T1384-F1418 HydrophobicContact CG2-CE2 4.17Å; T1384-V1422 HydrophobicContact CG2-CG2 3.66Å; T1384-L1425 HydrophobicContact CG2-CD2 4.14Å
1385Y86.3Confident75.6Confident1 Ų113.6 Ų13.60%0.0047%0.071CC..Hα-helixtrans-64-39.2175.9-67.6-9.5000112.2L1381 Q1382 L1388 A1389 V1422 L1478 F1481 M1482L1381-Y1385 HydrophobicContact CD1-CD1 4.41Å; L1381-Y1385 HydrophobicContact CD1-CE1 3.66Å; L1381-Y1385 HydrophobicContact CD1-CE2 3.98Å; L1381-Y1385 VanDerWaalsContact CD1-CZ 3.45Å; L1381-Y1385 WeakPolarHBondContact CD1-OH 3.26Å; L1381-Y1385 HydrophobicContact CD2-CE2 3.87Å; L1381-Y1385 HydrophobicContact CG-CD2 4.15Å; L1381-Y1385 HydrophobicContact CG-CE1 4.17Å; L1381-Y1385 HydrophobicContact CG-CE2 3.67Å; L1381-Y1385 PolarHBondContact O-N 3.45Å; Q1382-Y1385 PolarHBondContact O-N 2.78Å; Y1385-L1388 PolarHBondContact O-N 3.46Å; Y1385-A1389 PolarHBondContact O-N 2.92Å; Y1385-A1389 VanDerWaalsContact O-N 3.11Å; Y1385-V1422 HydrophobicContact CD1-CG1 3.15Å; Y1385-V1422 HydrophobicContact CE1-CG1 3.18Å; Y1385-V1422 HydrophobicContact CG-CG1 4.44Å; Y1385-L1478 HydrophobicContact CD2-CG 3.94Å; Y1385-L1478 HydrophobicContact CG-CG 4.32Å; Y1385-F1481 HydrophobicContact CD1-CD2 4.2Å; Y1385-F1481 HydrophobicContact CE1-CB 4.33Å; Y1385-F1481 HydrophobicContact CE1-CD2 4.04Å; Y1385-F1481 HydrophobicContact CE1-CG 4.25Å; Y1385-F1481 HydrophobicContact CE2-CB 4.08Å; Y1385-M1482 HydrophobicContact CD2-CE 3.73Å; Y1385-M1482 HydrophobicContact CE2-CE 3.8Å; Y1385-M1482 HydrophobicContact CE2-CG 4.23Å
1386Q85.8Confident77.9Confident43 Ų4312.5 Ų12.520%0.2016%0.064CC..Hα-helixtrans-66.6-41.8175.4-71.2171.9-13.700112.1T1150 Q1382 T1383 T1384 L1388 A1389 Y1390 T1474 L1478T1150-Q1386 PolarHBondContact OG1-NE2 3.45Å; Q1382-Q1386 HydrophobicContact CG-CG 4.4Å; Q1382-Q1386 WeakPolarHBondContact O-CB 3.48Å; Q1382-Q1386 VanDerWaalsContact O-CG 3.25Å; Q1382-Q1386 WeakPolarHBondContact O-CG 3.14Å; Q1382-Q1386 PolarHBondContact O-N 3.25Å; T1383-Q1386 PolarHBondContact O-N 3.05Å; T1384-Q1386 VanDerWaalsContact C-N 3.35Å; T1384-Q1386 PolarHBondContact O-N 3.3Å; Q1386-L1388 PolarHBondContact O-N 2.83Å; Q1386-A1389 PolarHBondContact O-N 2.83Å; Q1386-Y1390 WeakPolarHBondContact O-CB 3.24Å; Q1386-Y1390 PolarHBondContact O-N 2.89Å; Q1386-T1474 HydrophobicContact CB-CG2 4.5Å; Q1386-T1474 HydrophobicContact CG-CG2 3.86Å; Q1386-L1478 HydrophobicContact CG-CD1 4.47Å
1387A87.8Confident79.8Confident4 Ų410.9 Ų10.93%0.0335%0.053CC..Hα-helixtrans-59.9-37.4175.500000111.8V1158 V1365 T1383 T1384 T1391 F1418V1158-A1387 HydrophobicContact CB-CB 3.87Å; V1158-A1387 HydrophobicContact CG1-CB 4.07Å; V1365-A1387 HydrophobicContact CG1-CB 3.81Å; T1383-A1387 WeakPolarHBondContact O-CB 3.29Å; T1383-A1387 PolarHBondContact O-N 3.02Å; T1384-A1387 PolarHBondContact O-N 2.98Å; A1387-T1391 WeakPolarHBondContact O-CB 3.37Å; A1387-T1391 PolarHBondContact O-N 3.41Å; A1387-T1391 PolarHBondContact O-OG1 3.12Å; A1387-F1418 HydrophobicContact CB-CZ 4.18Å
1388L89.6Confident81.4Confident1 Ų19.6 Ų9.61%0.0054%0.044CC..Hα-helixtrans-66.2-50.1174.917559000112.5T1384 Y1385 Q1386 Y1390 T1391 I1392 F1418 P1419 V1422 V1477 F1481 F1586T1384-L1388 PolarHBondContact O-N 3.5Å; T1384-L1388 VanDerWaalsContact O-N 3.12Å; Y1385-L1388 PolarHBondContact O-N 3.46Å; Q1386-L1388 PolarHBondContact O-N 2.83Å; L1388-Y1390 VanDerWaalsContact C-N 3.26Å; L1388-Y1390 PolarHBondContact O-N 3.4Å; L1388-T1391 PolarHBondContact O-N 2.9Å; L1388-T1391 VanDerWaalsContact O-N 3.17Å; L1388-I1392 HydrophobicContact CD1-CD1 3.86Å; L1388-I1392 HydrophobicContact CD1-CG1 4.11Å; L1388-I1392 HydrophobicContact CG-CD1 4.1Å; L1388-I1392 WeakPolarHBondContact O-CG1 3.35Å; L1388-I1392 PolarHBondContact O-N 3.05Å; L1388-F1418 VanDerWaalsContact CA-CE1 3.48Å; L1388-F1418 HydrophobicContact CB-CD1 4.32Å; L1388-F1418 HydrophobicContact CB-CE1 3.8Å; L1388-F1418 HydrophobicContact CB-CZ 3.96Å; L1388-F1418 HydrophobicContact CD1-CD1 3.56Å; L1388-F1418 HydrophobicContact CD1-CE1 3.88Å; L1388-F1418 HydrophobicContact CD1-CG 4.17Å; L1388-F1418 HydrophobicContact CG-CE1 4.46Å; L1388-P1419 HydrophobicContact CD1-CB 4.48Å; L1388-P1419 HydrophobicContact CD1-CG 3.59Å; L1388-P1419 HydrophobicContact CD2-CB 4Å; L1388-P1419 HydrophobicContact CD2-CG 4Å; L1388-P1419 HydrophobicContact CG-CG 4.43Å; L1388-V1422 HydrophobicContact CD2-CB 4.46Å; L1388-V1422 HydrophobicContact CD2-CG1 4.27Å; L1388-V1477 HydrophobicContact CD2-CG1 4.19Å; L1388-V1477 HydrophobicContact CG-CG1 4.44Å; L1388-F1481 HydrophobicContact CD2-CE2 3.75Å; L1388-F1481 HydrophobicContact CD2-CZ 3.92Å; L1388-F1586 HydrophobicContact CD2-CE2 4.09Å
1389A89.5Confident82.8Confident1 Ų16.8 Ų6.81%0.0083%0.034CC..Hα-helixtrans-57.7-42.6177.800000111.4Y1385 Q1386 I1392 R1393 F1473 T1474 V1477Y1385-A1389 PolarHBondContact O-N 2.92Å; Y1385-A1389 VanDerWaalsContact O-N 3.11Å; Q1386-A1389 PolarHBondContact O-N 2.83Å; A1389-I1392 PolarHBondContact O-N 3.38Å; A1389-R1393 PolarHBondContact O-N 3.39Å; A1389-F1473 HydrophobicContact CB-CD1 4.2Å; A1389-F1473 HydrophobicContact CB-CE1 4.14Å; A1389-F1473 WeakPolarHBondContact O-CE1 3.23Å; A1389-T1474 HydrophobicContact CB-CG2 4.08Å; A1389-V1477 HydrophobicContact CB-CB 4.21Å; A1389-V1477 HydrophobicContact CB-CG1 4.39Å; A1389-V1477 HydrophobicContact CB-CG2 4.07Å
1390Y88.2Confident83.5Confident3 Ų39.1 Ų9.11%0.0125%0.046CC..Hα-helixtrans-64.9-41.9176.4-171.6-99.6000112.7S1128 Y1131 F1154 A1157 V1158 H1159 Q1386 L1388 I1392 R1393 C1394S1128-Y1390 WeakPolarHBondContact CB-OH 3.38Å; S1128-Y1390 PolarHBondContact O-OH 3.43Å; S1128-Y1390 PolarHBondContact OG-OH 2.68Å; Y1131-Y1390 AromaticContact CD2-CE2 3.68Å; Y1131-Y1390 HydrophobicContact CD2-CE2 3.68Å; Y1131-Y1390 AromaticContact CD2-CZ 3.81Å; Y1131-Y1390 HydrophobicContact CE2-CE2 4.49Å; Y1131-Y1390 HydrophobicContact CG-CE2 4.42Å; F1154-Y1390 HydrophobicContact CD1-CD2 4.06Å; F1154-Y1390 HydrophobicContact CD1-CE2 4.22Å; F1154-Y1390 HydrophobicContact CE1-CD2 4.19Å; F1154-Y1390 HydrophobicContact CG-CE2 4.35Å; A1157-Y1390 HydrophobicContact CB-CD1 3.74Å; A1157-Y1390 HydrophobicContact CB-CD2 3.38Å; A1157-Y1390 HydrophobicContact CB-CE1 3.96Å; A1157-Y1390 HydrophobicContact CB-CE2 3.6Å; A1157-Y1390 HydrophobicContact CB-CG 3.43Å; A1157-Y1390 VanDerWaalsContact CB-CG 3.43Å; V1158-Y1390 WeakPolarHBondContact O-CD1 3.42Å; H1159-Y1390 HydrophobicContact CB-CD1 4.22Å; H1159-Y1390 HydrophobicContact CB-CE1 4.11Å; Q1386-Y1390 WeakPolarHBondContact O-CB 3.24Å; Q1386-Y1390 PolarHBondContact O-N 2.89Å; L1388-Y1390 VanDerWaalsContact C-N 3.26Å; L1388-Y1390 PolarHBondContact O-N 3.4Å; Y1390-I1392 PolarHBondContact O-N 3Å; Y1390-R1393 WeakPolarHBondContact O-CB 3.36Å; Y1390-R1393 PolarHBondContact O-N 3.49Å; Y1390-C1394 WeakPolarHBondContact CE1-SG 3.48Å; Y1390-C1394 PolarHBondContact O-N 2.74Å; Y1390-C1394 PolarHBondContact O-SG 3.15Å; Y1390-C1394 VanDerWaalsContact O-SG 3.39Å
1391T89Confident83.9Confident3 Ų311.9 Ų11.92%0.0186%0.06CC..Hα-helixtrans-62.1-43.9178.2-60.10000111.7L1160 A1387 L1388 R1393 C1394 V1395L1160-T1391 HydrophobicContact CB-CG2 4.28Å; L1160-T1391 PolarHBondContact N-OG1 3.22Å; L1160-T1391 VanDerWaalsContact O-CG2 3.29Å; L1160-T1391 WeakPolarHBondContact O-CG2 3.48Å; A1387-T1391 WeakPolarHBondContact O-CB 3.37Å; A1387-T1391 PolarHBondContact O-N 3.41Å; A1387-T1391 PolarHBondContact O-OG1 3.12Å; L1388-T1391 PolarHBondContact O-N 2.9Å; L1388-T1391 VanDerWaalsContact O-N 3.17Å; T1391-R1393 VanDerWaalsContact C-N 3.3Å; T1391-R1393 PolarHBondContact O-N 3.03Å; T1391-C1394 PolarHBondContact O-N 3.35Å; T1391-V1395 WeakPolarHBondContact O-CG2 3.49Å; T1391-V1395 PolarHBondContact O-N 3.01Å
1392I88.8Confident84Confident0 Ų015 Ų150%07%0.074CC..Hα-helixtrans-62.6-39.3177.5-66.9168.9000111.3L1388 A1389 Y1390 V1395 E1396 L1415 F1473 M1582 L1585 F1586L1388-I1392 HydrophobicContact CD1-CD1 3.86Å; L1388-I1392 HydrophobicContact CD1-CG1 4.11Å; L1388-I1392 HydrophobicContact CG-CD1 4.1Å; L1388-I1392 WeakPolarHBondContact O-CG1 3.35Å; L1388-I1392 PolarHBondContact O-N 3.05Å; A1389-I1392 PolarHBondContact O-N 3.38Å; Y1390-I1392 PolarHBondContact O-N 3Å; I1392-V1395 PolarHBondContact O-N 3.05Å; I1392-E1396 PolarHBondContact O-N 3.41Å; I1392-L1415 HydrophobicContact CG1-CD2 4.14Å; I1392-F1473 HydrophobicContact CB-CE1 4.16Å; I1392-F1473 HydrophobicContact CB-CZ 4.14Å; I1392-F1473 HydrophobicContact CD1-CZ 4.44Å; I1392-F1473 HydrophobicContact CG2-CE1 4.14Å; I1392-F1473 HydrophobicContact CG2-CZ 3.73Å; I1392-M1582 HydrophobicContact CG2-CB 4.36Å; I1392-L1585 HydrophobicContact CG2-CB 3.93Å; I1392-L1585 HydrophobicContact CG2-CD1 4.46Å; I1392-F1586 HydrophobicContact CD1-CB 3.78Å; I1392-F1586 HydrophobicContact CD1-CD2 3.56Å; I1392-F1586 HydrophobicContact CD1-CG 4.05Å
1393R88.4Confident84.1Confident13 Ų1321.6 Ų21.65%0.04911%0.11CC..Hα-helixtrans-61.7-44.7174.7176.6172.1-641763.8112.4Y1131 A1389 Y1390 T1391 E1396 S1397 D1471 M1582Y1131-R1393 HydrophobicContact CE2-CG 4.08Å; Y1131-R1393 PolarHBondContact OH-O 3.12Å; A1389-R1393 PolarHBondContact O-N 3.39Å; Y1390-R1393 WeakPolarHBondContact O-CB 3.36Å; Y1390-R1393 PolarHBondContact O-N 3.49Å; T1391-R1393 VanDerWaalsContact C-N 3.3Å; T1391-R1393 PolarHBondContact O-N 3.03Å; R1393-E1396 PolarHBondContact O-N 2.84Å; R1393-S1397 PolarHBondContact O-N 2.78Å; R1393-D1471 IonicContact CZ-OD1 3.55Å; R1393-D1471 IonicContact NH1-OD1 3.68Å; R1393-D1471 PolarHBondContact NH1-OD1 3.16Å; R1393-D1471 IonicContact NH2-OD1 2.66Å; R1393-D1471 PolarHBondContact NH2-OD1 3.35Å; R1393-D1471 IonicContact NH2-OD2 2.81Å; R1393-D1471 PolarHBondContact NH2-OD2 3.47Å; R1393-M1582 HydrophobicContact CB-SD 3.89Å; R1393-M1582 HydrophobicContact CG-SD 3.99Å
1394C86.8Confident84.2Confident2 Ų225.4 Ų25.41%0.01413%0.125CC..Hα-helixtrans-58.6-48.5174.8-66.90000110.9Y1390 T1391 E1396 S1397 E1398 H1793Y1390-C1394 WeakPolarHBondContact CE1-SG 3.48Å; Y1390-C1394 PolarHBondContact O-N 2.74Å; Y1390-C1394 PolarHBondContact O-SG 3.15Å; Y1390-C1394 VanDerWaalsContact O-SG 3.39Å; T1391-C1394 PolarHBondContact O-N 3.35Å; C1394-E1396 VanDerWaalsContact C-N 3.34Å; C1394-E1396 PolarHBondContact O-N 2.99Å; C1394-S1397 PolarHBondContact O-N 3.27Å; C1394-E1398 WeakPolarHBondContact O-CB 3.45Å; C1394-E1398 VanDerWaalsContact O-CG 3.27Å; C1394-E1398 WeakPolarHBondContact O-CG 3.33Å; C1394-E1398 PolarHBondContact O-N 3.12Å; C1394-H1793 PolarHBondContact SG-CE1 2.82Å
1395V85Confident84.2Confident4 Ų426.1 Ų26.12%0.02413%0.131CC..Hα-helixtrans-59.7-43.4-179.4177.70000112.1T1391 I1392 S1397 E1398 L1399 L1415T1391-V1395 WeakPolarHBondContact O-CG2 3.49Å; T1391-V1395 PolarHBondContact O-N 3.01Å; I1392-V1395 PolarHBondContact O-N 3.05Å; V1395-S1397 PolarHBondContact O-N 2.72Å; V1395-E1398 PolarHBondContact O-N 3.25Å; V1395-L1399 HydrophobicContact CG1-CD1 4.17Å; V1395-L1399 HydrophobicContact CG1-CG 4.5Å; V1395-L1399 VanDerWaalsContact O-CG 3.31Å; V1395-L1399 WeakPolarHBondContact O-CG 3.49Å; V1395-L1399 PolarHBondContact O-N 3.43Å; V1395-L1415 HydrophobicContact CG1-CD1 4.06Å; V1395-L1415 HydrophobicContact CG2-CD2 4.26Å
1396E86.5Confident84.1Confident0 Ų026.1 Ų26.10%013%0.131CC..Hα-helixtrans-58.4-47.1177.7-171-75.5150.800111.9I1392 R1393 C1394 L1399 E1400 K1578 R1581 M1582 L1585I1392-E1396 PolarHBondContact O-N 3.41Å; R1393-E1396 PolarHBondContact O-N 2.84Å; C1394-E1396 VanDerWaalsContact C-N 3.34Å; C1394-E1396 PolarHBondContact O-N 2.99Å; E1396-L1399 PolarHBondContact O-N 3.28Å; E1396-E1400 PolarHBondContact O-N 3.43Å; E1396-E1400 VanDerWaalsContact O-N 3.15Å; E1396-K1578 WeakPolarHBondContact OE2-CE 3.46Å; E1396-K1578 IonicContact OE2-NZ 2.84Å; E1396-K1578 PolarHBondContact OE2-NZ 3.23Å; E1396-R1581 HydrophobicContact CG-CB 3.98Å; E1396-R1581 IonicContact OE1-CZ 3.78Å; E1396-R1581 IonicContact OE1-NE 2.8Å; E1396-R1581 PolarHBondContact OE1-NE 2.93Å; E1396-R1581 IonicContact OE1-NH2 3.96Å; E1396-R1581 PolarHBondContact OE1-NH2 3.4Å; E1396-M1582 HydrophobicContact CB-CG 3.98Å; E1396-M1582 HydrophobicContact CG-CG 3.92Å; E1396-L1585 HydrophobicContact CB-CD1 3.87Å; E1396-L1585 HydrophobicContact CG-CD1 4.32Å
1397S83.1Confident83.8Confident3 Ų324.1 Ų24.12%0.02112%0.121CC..Hα-helixtrans-75.4-27-178.2-67.60000113.1Y1131 R1393 C1394 V1395 E1400 L1401 K1578Y1131-S1397 WeakPolarHBondContact OH-CB 3.46Å; Y1131-S1397 PolarHBondContact OH-OG 3.35Å; R1393-S1397 PolarHBondContact O-N 2.78Å; C1394-S1397 PolarHBondContact O-N 3.27Å; V1395-S1397 PolarHBondContact O-N 2.72Å; S1397-E1400 PolarHBondContact O-N 3.5Å; S1397-L1401 WeakPolarHBondContact O-CB 3.35Å; S1397-L1401 WeakPolarHBondContact O-CG 3.15Å; S1397-L1401 PolarHBondContact O-N 2.9Å; S1397-K1578 PolarHBondContact OG-NZ 3.15Å
1398E81.3Confident82.7Confident4 Ų425.8 Ų25.82%0.01914%0.139CC..Hα-helixtrans-66.1-42.3170.2-73.3177.7-132.400111.8C1394 V1395 E1400 L1401 E1402 R1412 T1792 H1793C1394-E1398 WeakPolarHBondContact O-CB 3.45Å; C1394-E1398 VanDerWaalsContact O-CG 3.27Å; C1394-E1398 WeakPolarHBondContact O-CG 3.33Å; C1394-E1398 PolarHBondContact O-N 3.12Å; V1395-E1398 PolarHBondContact O-N 3.25Å; E1398-E1400 VanDerWaalsContact C-N 3.28Å; E1398-E1400 PolarHBondContact O-N 3.12Å; E1398-L1401 PolarHBondContact O-N 3.19Å; E1398-E1402 WeakPolarHBondContact O-CB 3.24Å; E1398-E1402 WeakPolarHBondContact O-CG 3.46Å; E1398-E1402 PolarHBondContact O-N 3.36Å; E1398-R1412 IonicContact OE1-NH1 3.66Å; E1398-R1412 IonicContact OE2-CZ 3.7Å; E1398-R1412 IonicContact OE2-NH1 3.45Å; E1398-R1412 PolarHBondContact OE2-NH1 2.93Å; E1398-R1412 IonicContact OE2-NH2 3.9Å; E1398-R1412 PolarHBondContact OE2-NH2 2.86Å; E1398-T1792 HydrophobicContact CB-CG2 4.49Å; E1398-T1792 HydrophobicContact CG-CG2 3.89Å; E1398-H1793 IonicContact OE1-ND1 3.76Å
1399L81.8Confident81.2Confident9 Ų927 Ų275%0.04715%0.149CC..Hα-helixtrans-61.5-39.6175.1-68.7167.5000111.5V1395 E1396 N1403 K1404 L1406 A1409V1395-L1399 HydrophobicContact CG1-CD1 4.17Å; V1395-L1399 HydrophobicContact CG1-CG 4.5Å; V1395-L1399 VanDerWaalsContact O-CG 3.31Å; V1395-L1399 WeakPolarHBondContact O-CG 3.49Å; V1395-L1399 PolarHBondContact O-N 3.43Å; E1396-L1399 PolarHBondContact O-N 3.28Å; L1399-N1403 PolarHBondContact O-N 3.48Å; L1399-K1404 HydrophobicContact CD2-CB 4.08Å; L1399-K1404 PolarHBondContact O-N 3.15Å; L1399-L1406 VanDerWaalsContact CD1-O 3.31Å; L1399-L1406 WeakPolarHBondContact CD1-O 3.41Å; L1399-A1409 HydrophobicContact CD2-CB 3.65Å
1400E78Confident79.4Confident78 Ų7828 Ų2836%0.36415%0.153SC..Hα-helixtrans-64.6-49.3175-168.1-172.717200111.6E1396 S1397 E1398 E1402 N1403 K1578E1396-E1400 PolarHBondContact O-N 3.43Å; E1396-E1400 VanDerWaalsContact O-N 3.15Å; S1397-E1400 PolarHBondContact O-N 3.5Å; E1398-E1400 VanDerWaalsContact C-N 3.28Å; E1398-E1400 PolarHBondContact O-N 3.12Å; E1400-E1402 VanDerWaalsContact C-N 3.28Å; E1400-E1402 PolarHBondContact O-N 2.8Å; E1400-N1403 PolarHBondContact O-N 3.07Å; E1400-K1578 IonicContact OE2-NZ 3.98Å; E1400-K1578 PolarHBondContact OE2-NZ 3.03Å
1401L77.4Confident77.6Confident65 Ų6532.8 Ų32.834%0.3419%0.187SC..Hα-helixtrans-60.2-36.3178.4-76.8168.2000112.9S1397 E1398 N1403 P1659 L1788 M1791S1397-L1401 WeakPolarHBondContact O-CB 3.35Å; S1397-L1401 WeakPolarHBondContact O-CG 3.15Å; S1397-L1401 PolarHBondContact O-N 2.9Å; E1398-L1401 PolarHBondContact O-N 3.19Å; L1401-N1403 VanDerWaalsContact C-N 3.29Å; L1401-P1659 HydrophobicContact CD1-CG 4.42Å; L1401-L1788 HydrophobicContact CB-CD1 4.37Å; L1401-M1791 HydrophobicContact CD1-CB 3.99Å; L1401-M1791 HydrophobicContact CD1-CE 3.96Å; L1401-M1791 HydrophobicContact CD1-SD 4.19Å; L1401-M1791 HydrophobicContact CD2-CE 3.88Å; L1401-M1791 HydrophobicContact CD2-SD 4.39Å
1402E75.9Confident76Confident68 Ų6835.8 Ų35.832%0.31820%0.198SC..THydrogen-bonded Turntrans-85.51.3178-66.1-173.8158.800113.4E1398 E1400 K1404E1398-E1402 WeakPolarHBondContact O-CB 3.24Å; E1398-E1402 WeakPolarHBondContact O-CG 3.46Å; E1398-E1402 PolarHBondContact O-N 3.36Å; E1400-E1402 VanDerWaalsContact C-N 3.28Å; E1400-E1402 PolarHBondContact O-N 2.8Å; E1402-K1404 VanDerWaalsContact C-N 3.29Å; E1402-K1404 HydrophobicContact CB-CD 4.14Å; E1402-K1404 HydrophobicContact CB-CG 3.99Å; E1402-K1404 PolarHBondContact O-N 2.98Å; E1402-K1404 WeakPolarHBondContact OE2-CE 3.48Å; E1402-K1404 IonicContact OE2-NZ 3.91Å; E1402-K1404 PolarHBondContact OE2-NZ 3Å
1403N76.1Confident74.4Confident140 Ų14036.4 Ų36.475%0.74920%0.202SC*.THydrogen-bonded Turntrans52.843.9-176.1-16748.2000112.9L1399 E1400 L1401L1399-N1403 PolarHBondContact O-N 3.48Å; E1400-N1403 PolarHBondContact O-N 3.07Å; L1401-N1403 VanDerWaalsContact C-N 3.29Å
1404K80.8Confident73Confident92 Ų9236.1 Ų36.140%0.420%0.202SC..  trans-104149.3177.1-63.7-174.9-176.5163.60110.5L1399 E1402 A1409L1399-K1404 HydrophobicContact CD2-CB 4.08Å; L1399-K1404 PolarHBondContact O-N 3.15Å; E1402-K1404 VanDerWaalsContact C-N 3.29Å; E1402-K1404 HydrophobicContact CB-CD 4.14Å; E1402-K1404 HydrophobicContact CB-CG 3.99Å; E1402-K1404 PolarHBondContact O-N 2.98Å; E1402-K1404 WeakPolarHBondContact OE2-CE 3.48Å; E1402-K1404 IonicContact OE2-NZ 3.91Å; E1402-K1404 PolarHBondContact OE2-NZ 3Å; K1404-A1409 HydrophobicContact CB-CB 4.48Å; K1404-A1409 HydrophobicContact CD-CB 3.56Å
1405A82.3Confident72Confident14 Ų1436.2 Ų36.212%0.11620%0.203CC..  trans-60.3153.617300000111.2F1407 G1408 K1600A1405-F1407 PolarHBondContact O-N 3.17Å; A1405-G1408 PolarHBondContact O-N 3.23Å; A1405-K1600 VanDerWaalsContact CB-C 3.49Å; A1405-K1600 VanDerWaalsContact CB-O 3.31Å; A1405-K1600 WeakPolarHBondContact CB-O 3.33Å
1406L83Confident71.2Confident1 Ų136.4 Ų36.41%0.00520%0.204CC..THydrogen-bonded Turntrans-52.4-34.5-177.5-174.761.1000112.6L1399 R1581 A1584 L1585 V1611L1399-L1406 VanDerWaalsContact CD1-O 3.31Å; L1399-L1406 WeakPolarHBondContact CD1-O 3.41Å; L1406-R1581 HydrophobicContact CD1-CB 3.83Å; L1406-R1581 HydrophobicContact CD1-CG 4.13Å; L1406-R1581 HydrophobicContact CD2-CB 4.17Å; L1406-R1581 HydrophobicContact CD2-CG 3.98Å; L1406-A1584 HydrophobicContact CD2-CB 4.14Å; L1406-L1585 HydrophobicContact CD1-CD1 3.91Å; L1406-L1585 HydrophobicContact CD1-CD2 4.13Å; L1406-L1585 HydrophobicContact CD1-CG 3.85Å; L1406-L1585 HydrophobicContact CG-CD2 4.39Å; L1406-L1585 HydrophobicContact CG-CG 4.45Å; L1406-V1611 HydrophobicContact CD2-CG2 3.68Å
1407F81.5Confident70.8Confident1 Ų136.4 Ų36.40%0.00420%0.204CC..THydrogen-bonded Turntrans-12017.9175.2-54.7-97.6000114.7A1405 A1409 F1410 A1584 L1585 Y1588 P1595 L1599 K1600 Y1614A1405-F1407 PolarHBondContact O-N 3.17Å; F1407-A1409 PolarHBondContact O-N 3.2Å; F1407-F1410 HydrophobicContact CB-CD2 3.86Å; F1407-F1410 HydrophobicContact CB-CE2 3.65Å; F1407-F1410 HydrophobicContact CD1-CD2 4.12Å; F1407-F1410 AromaticContact CD1-CE2 3.18Å; F1407-F1410 HydrophobicContact CD1-CE2 3.18Å; F1407-F1410 AromaticContact CD1-CZ 3.64Å; F1407-F1410 HydrophobicContact CD1-CZ 3.64Å; F1407-F1410 HydrophobicContact CE1-CE2 4.13Å; F1407-F1410 HydrophobicContact CE1-CZ 4.19Å; F1407-F1410 HydrophobicContact CG-CD2 4.44Å; F1407-F1410 AromaticContact CG-CE2 3.75Å; F1407-F1410 HydrophobicContact CG-CE2 3.75Å; F1407-F1410 WeakPolarHBondContact O-CD2 3.4Å; F1407-A1584 HydrophobicContact CZ-CB 4.07Å; F1407-L1585 HydrophobicContact CD1-CD2 4.44Å; F1407-L1585 HydrophobicContact CE1-CD2 4.12Å; F1407-Y1588 HydrophobicContact CD1-CG 4.34Å; F1407-Y1588 HydrophobicContact CE1-CD1 4.32Å; F1407-Y1588 HydrophobicContact CE1-CD2 4.25Å; F1407-Y1588 AromaticContact CE1-CG 3.82Å; F1407-Y1588 HydrophobicContact CE1-CG 3.82Å; F1407-P1595 HydrophobicContact CB-CB 4.03Å; F1407-P1595 HydrophobicContact CB-CG 3.67Å; F1407-P1595 HydrophobicContact CD1-CB 3.69Å; F1407-P1595 HydrophobicContact CD1-CG 3.53Å; F1407-P1595 HydrophobicContact CD2-CB 3.64Å; F1407-P1595 HydrophobicContact CD2-CG 4.2Å; F1407-P1595 HydrophobicContact CE1-CB 4.04Å; F1407-P1595 HydrophobicContact CE1-CG 4.23Å; F1407-P1595 HydrophobicContact CE2-CB 3.89Å; F1407-P1595 HydrophobicContact CG-CB 3.53Å; F1407-P1595 HydrophobicContact CG-CG 3.56Å; F1407-P1595 HydrophobicContact CZ-CB 4.12Å; F1407-L1599 HydrophobicContact CD2-CB 3.77Å; F1407-L1599 HydrophobicContact CD2-CD1 4.33Å; F1407-L1599 HydrophobicContact CE2-CB 4.25Å; F1407-L1599 HydrophobicContact CE2-CD1 3.94Å; F1407-L1599 PolarHBondContact N-O 2.92Å; F1407-L1599 VanDerWaalsContact N-O 3.11Å; F1407-K1600 HydrophobicContact CB-CG 4.03Å; F1407-Y1614 HydrophobicContact CZ-CD1 4.36Å; F1407-Y1614 AromaticContact CZ-CE1 3.89Å; F1407-Y1614 HydrophobicContact CZ-CE1 3.89Å
1408G64.7Low70.8Confident39 Ų3936.3 Ų36.340%0.40220%0.203SC..THydrogen-bonded Turntrans-80.5-9.6-176.300000115.6A1405A1405-G1408 PolarHBondContact O-N 3.23Å
1409A56.8Low70.7Confident26 Ų2636.2 Ų36.222%0.21520%0.203CC..THydrogen-bonded Turntrans-12733.6-168.800000114.3L1399 K1404 F1407 S1411L1399-A1409 HydrophobicContact CD2-CB 3.65Å; K1404-A1409 HydrophobicContact CB-CB 4.48Å; K1404-A1409 HydrophobicContact CD-CB 3.56Å; F1407-A1409 PolarHBondContact O-N 3.2Å; A1409-S1411 PolarHBondContact O-N 3.03Å
1410F51.3Low70.5Confident23 Ų2336.4 Ų36.410%0.10120%0.203CC..  trans-73.960.1-172.3-95.5-83.7000114.5Y1070 F1407 L1415 L1585 Y1588Y1070-F1410 HydrophobicContact CD1-CB 4.27Å; F1407-F1410 HydrophobicContact CB-CD2 3.86Å; F1407-F1410 HydrophobicContact CB-CE2 3.65Å; F1407-F1410 HydrophobicContact CD1-CD2 4.12Å; F1407-F1410 AromaticContact CD1-CE2 3.18Å; F1407-F1410 HydrophobicContact CD1-CE2 3.18Å; F1407-F1410 AromaticContact CD1-CZ 3.64Å; F1407-F1410 HydrophobicContact CD1-CZ 3.64Å; F1407-F1410 HydrophobicContact CE1-CE2 4.13Å; F1407-F1410 HydrophobicContact CE1-CZ 4.19Å; F1407-F1410 HydrophobicContact CG-CD2 4.44Å; F1407-F1410 AromaticContact CG-CE2 3.75Å; F1407-F1410 HydrophobicContact CG-CE2 3.75Å; F1407-F1410 WeakPolarHBondContact O-CD2 3.4Å; F1410-L1415 HydrophobicContact CE1-CB 4.45Å; F1410-L1415 HydrophobicContact CE1-CD1 3.68Å; F1410-L1415 HydrophobicContact CZ-CD1 3.87Å; F1410-L1585 HydrophobicContact CE2-CD2 4.34Å; F1410-L1585 HydrophobicContact CZ-CD2 4.01Å; F1410-Y1588 AromaticContact CD1-CE1 3.84Å; F1410-Y1588 HydrophobicContact CD1-CE1 3.84Å; F1410-Y1588 AromaticContact CE1-CD1 3.65Å; F1410-Y1588 HydrophobicContact CE1-CD1 3.65Å; F1410-Y1588 AromaticContact CE1-CE1 3.15Å; F1410-Y1588 HydrophobicContact CE1-CE1 3.15Å; F1410-Y1588 HydrophobicContact CE2-CE1 4.48Å; F1410-Y1588 AromaticContact CZ-CD1 3.6Å; F1410-Y1588 HydrophobicContact CZ-CD1 3.6Å; F1410-Y1588 AromaticContact CZ-CE1 3.53Å; F1410-Y1588 HydrophobicContact CZ-CE1 3.53Å
1411S50.2Low70.5Confident104 Ų10432.7 Ų32.773%0.72719%0.185SC*.  trans-91.40.7157.566.10000112.9A1409 S1413A1409-S1411 PolarHBondContact O-N 3.03Å; S1411-S1413 PolarHBondContact O-N 3.44Å
1412R55.7Low70.5Confident65 Ų6529.6 Ų29.625%0.24517%0.169CC..  trans-92.481.2-174.5-65.2-169.8-171.8-158.72.3112.2E1398 C1414 L1415E1398-R1412 IonicContact OE1-NH1 3.66Å; E1398-R1412 IonicContact OE2-CZ 3.7Å; E1398-R1412 IonicContact OE2-NH1 3.45Å; E1398-R1412 PolarHBondContact OE2-NH1 2.93Å; E1398-R1412 IonicContact OE2-NH2 3.9Å; E1398-R1412 PolarHBondContact OE2-NH2 2.86Å; R1412-C1414 PolarHBondContact O-N 3.48Å; R1412-C1414 VanDerWaalsContact O-N 3.08Å; R1412-L1415 PolarHBondContact O-N 3.22Å
1413S56.6Low70.3Confident13 Ų1326.7 Ų26.79%0.09116%0.157CC..THydrogen-bonded Turntrans-59.3-15.517269.40000114Y1121 T1162 G1164 S1411 L1415 T1416 A1417Y1121-S1413 VanDerWaalsContact CE2-CB 3.46Å; Y1121-S1413 WeakPolarHBondContact CE2-OG 3.4Å; T1162-S1413 PolarHBondContact OG1-OG 3.38Å; G1164-S1413 WeakPolarHBondContact CA-OG 3.42Å; S1411-S1413 PolarHBondContact O-N 3.44Å; S1413-L1415 PolarHBondContact O-N 2.9Å; S1413-T1416 PolarHBondContact O-N 2.9Å; S1413-T1416 VanDerWaalsContact O-N 3.14Å; S1413-T1416 PolarHBondContact O-OG1 3.3Å; S1413-A1417 PolarHBondContact O-N 3.38Å
1414C58Low70.2Confident7 Ų720.7 Ų20.75%0.04712%0.124CC..Hα-helixtrans-55.2-35.4172.7650000112.4T1162 R1412 T1416 F1418T1162-C1414 HydrophobicContact CG2-CB 3.58Å; T1162-C1414 VanDerWaalsContact OG1-CB 3.31Å; T1162-C1414 WeakPolarHBondContact OG1-CB 3.44Å; T1162-C1414 PolarHBondContact OG1-N 2.92Å; T1162-C1414 VanDerWaalsContact OG1-N 3.16Å; R1412-C1414 PolarHBondContact O-N 3.48Å; R1412-C1414 VanDerWaalsContact O-N 3.08Å; C1414-T1416 VanDerWaalsContact C-N 3.31Å; C1414-T1416 PolarHBondContact O-N 3.26Å; C1414-F1418 VanDerWaalsContact O-CB 3.32Å; C1414-F1418 WeakPolarHBondContact O-CB 3.44Å; C1414-F1418 PolarHBondContact O-N 2.83Å
1415L65Low69.7Low5 Ų516.6 Ų16.63%0.02611%0.106CC..Hα-helixtrans-67.8-27.7-179-75.9179.5000112.2I1392 V1395 F1410 R1412 S1413 P1419 L1585 S1589I1392-L1415 HydrophobicContact CG1-CD2 4.14Å; V1395-L1415 HydrophobicContact CG1-CD1 4.06Å; V1395-L1415 HydrophobicContact CG2-CD2 4.26Å; F1410-L1415 HydrophobicContact CE1-CB 4.45Å; F1410-L1415 HydrophobicContact CE1-CD1 3.68Å; F1410-L1415 HydrophobicContact CZ-CD1 3.87Å; R1412-L1415 PolarHBondContact O-N 3.22Å; S1413-L1415 PolarHBondContact O-N 2.9Å; L1415-P1419 WeakPolarHBondContact O-CD 3.35Å; L1415-P1419 VanDerWaalsContact O-CG 3.26Å; L1415-P1419 WeakPolarHBondContact O-CG 3.33Å; L1415-L1585 HydrophobicContact CD1-CD2 4.36Å; L1415-S1589 WeakPolarHBondContact O-CB 3.33Å
1416T70Confident68.9Low7 Ų716 Ų164%0.04310%0.101CC..Hα-helixtrans-93.4-38.5179.867.90000112.4E1073 S1413 C1414 R1420 Y1588 L1592E1073-T1416 WeakPolarHBondContact OE2-CB 3.47Å; E1073-T1416 PolarHBondContact OE2-OG1 2.66Å; S1413-T1416 PolarHBondContact O-N 2.9Å; S1413-T1416 VanDerWaalsContact O-N 3.14Å; S1413-T1416 PolarHBondContact O-OG1 3.3Å; C1414-T1416 VanDerWaalsContact C-N 3.31Å; C1414-T1416 PolarHBondContact O-N 3.26Å; T1416-R1420 WeakPolarHBondContact O-CG 3.35Å; T1416-R1420 PolarHBondContact O-NE 3.14Å; T1416-Y1588 HydrophobicContact CG2-CE1 4.37Å; T1416-L1592 HydrophobicContact CG2-CD2 3.69Å
1417A76.5Confident67.8Low0 Ų016.5 Ų16.50%011%0.106CC..Hα-helixtrans-72.5-48.2-176.900000112.3Y1121 V1215 S1413 R1420 C1421Y1121-A1417 HydrophobicContact CD2-CB 3.97Å; Y1121-A1417 HydrophobicContact CE2-CB 4.19Å; V1215-A1417 HydrophobicContact CG1-CB 3.64Å; S1413-A1417 PolarHBondContact O-N 3.38Å; A1417-R1420 PolarHBondContact O-N 2.87Å; A1417-C1421 PolarHBondContact O-N 3.45Å; A1417-C1421 PolarHBondContact O-SG 3.01Å
1418F84.3Confident66.8Low2 Ų218.6 Ų18.61%0.00912%0.123CC..Hα-helixtrans-62.1-51.6-172.4179.1-153.3000113.4L1160 F1361 T1384 A1387 L1388 C1414 R1420 C1421 V1422L1160-F1418 HydrophobicContact CB-CD1 4.2Å; L1160-F1418 HydrophobicContact CB-CE1 4.06Å; L1160-F1418 HydrophobicContact CD2-CB 3.56Å; L1160-F1418 HydrophobicContact CD2-CD1 3.34Å; L1160-F1418 HydrophobicContact CD2-CD2 4.12Å; L1160-F1418 HydrophobicContact CD2-CE1 3.94Å; L1160-F1418 HydrophobicContact CD2-CG 3.44Å; L1160-F1418 VanDerWaalsContact CD2-CG 3.44Å; L1160-F1418 HydrophobicContact CG-CD1 4.38Å; F1361-F1418 AromaticContact CE1-CD2 3.47Å; F1361-F1418 HydrophobicContact CE1-CD2 3.47Å; F1361-F1418 VanDerWaalsContact CE1-CD2 3.47Å; F1361-F1418 AromaticContact CE1-CE2 3.53Å; F1361-F1418 HydrophobicContact CE1-CE2 3.53Å; F1361-F1418 AromaticContact CZ-CD2 3.42Å; F1361-F1418 HydrophobicContact CZ-CD2 3.42Å; F1361-F1418 VanDerWaalsContact CZ-CD2 3.42Å; F1361-F1418 AromaticContact CZ-CE2 3.46Å; F1361-F1418 HydrophobicContact CZ-CE2 3.46Å; F1361-F1418 VanDerWaalsContact CZ-CE2 3.46Å; F1361-F1418 HydrophobicContact CZ-CG 4.29Å; F1361-F1418 HydrophobicContact CZ-CZ 4.33Å; T1384-F1418 HydrophobicContact CG2-CE2 4.17Å; A1387-F1418 HydrophobicContact CB-CZ 4.18Å; L1388-F1418 VanDerWaalsContact CA-CE1 3.48Å; L1388-F1418 HydrophobicContact CB-CD1 4.32Å; L1388-F1418 HydrophobicContact CB-CE1 3.8Å; L1388-F1418 HydrophobicContact CB-CZ 3.96Å; L1388-F1418 HydrophobicContact CD1-CD1 3.56Å; L1388-F1418 HydrophobicContact CD1-CE1 3.88Å; L1388-F1418 HydrophobicContact CD1-CG 4.17Å; L1388-F1418 HydrophobicContact CG-CE1 4.46Å; C1414-F1418 VanDerWaalsContact O-CB 3.32Å; C1414-F1418 WeakPolarHBondContact O-CB 3.44Å; C1414-F1418 PolarHBondContact O-N 2.83Å; F1418-R1420 VanDerWaalsContact C-N 3.28Å; F1418-R1420 PolarHBondContact O-N 2.85Å; F1418-C1421 PolarHBondContact O-N 3.12Å; F1418-V1422 HydrophobicContact CD2-CG2 3.5Å; F1418-V1422 HydrophobicContact CE2-CG2 3.33Å; F1418-V1422 HydrophobicContact CZ-CG2 4.26Å; F1418-V1422 WeakPolarHBondContact O-CB 3.49Å; F1418-V1422 WeakPolarHBondContact O-CG2 3.37Å; F1418-V1422 PolarHBondContact O-N 3.12Å
1419P79.5Confident66.7Low1 Ų117 Ų171%0.00611%0.105CC..Hα-helixtrans-57.6-36.5178.1-30.542.2000114.3L1388 L1415 V1422 A1423 S1589 L1590L1388-P1419 HydrophobicContact CD1-CB 4.48Å; L1388-P1419 HydrophobicContact CD1-CG 3.59Å; L1388-P1419 HydrophobicContact CD2-CB 4Å; L1388-P1419 HydrophobicContact CD2-CG 4Å; L1388-P1419 HydrophobicContact CG-CG 4.43Å; L1415-P1419 WeakPolarHBondContact O-CD 3.35Å; L1415-P1419 VanDerWaalsContact O-CG 3.26Å; L1415-P1419 WeakPolarHBondContact O-CG 3.33Å; P1419-V1422 PolarHBondContact O-N 2.8Å; P1419-A1423 WeakPolarHBondContact O-CB 3.36Å; P1419-A1423 PolarHBondContact O-N 3.47Å; P1419-S1589 WeakPolarHBondContact CG-OG 3.38Å; P1419-L1590 HydrophobicContact CB-CD2 3.87Å
1420R76.1Confident67Low13 Ų1315.9 Ų15.95%0.04910%0.097CC..Hα-helixtrans-69.7-45.8177.5-67.7-177-63176.7-6.1111.3E1073 L1218 T1416 A1417 F1418 V1422 A1423 Y1424E1073-R1420 VanDerWaalsContact CD-NH2 3.3Å; E1073-R1420 IonicContact OE1-CZ 3.07Å; E1073-R1420 VanDerWaalsContact OE1-CZ 3.26Å; E1073-R1420 IonicContact OE1-NH1 3.04Å; E1073-R1420 PolarHBondContact OE1-NH1 3.41Å; E1073-R1420 IonicContact OE1-NH2 3.83Å; E1073-R1420 PolarHBondContact OE1-NH2 3.3Å; E1073-R1420 IonicContact OE2-CZ 2.67Å; E1073-R1420 IonicContact OE2-NH1 3.4Å; E1073-R1420 IonicContact OE2-NH2 3.85Å; E1073-R1420 PolarHBondContact OE2-NH2 2.87Å; L1218-R1420 VanDerWaalsContact CD1-C 3.47Å; L1218-R1420 HydrophobicContact CD1-CB 3.7Å; L1218-R1420 PolarHBondContact O-NH1 2.81Å; T1416-R1420 WeakPolarHBondContact O-CG 3.35Å; T1416-R1420 PolarHBondContact O-NE 3.14Å; A1417-R1420 PolarHBondContact O-N 2.87Å; F1418-R1420 VanDerWaalsContact C-N 3.28Å; F1418-R1420 PolarHBondContact O-N 2.85Å; R1420-V1422 PolarHBondContact O-N 2.87Å; R1420-A1423 WeakPolarHBondContact O-CB 3.3Å; R1420-A1423 PolarHBondContact O-N 3.49Å; R1420-A1423 VanDerWaalsContact O-N 3.08Å; R1420-Y1424 VanDerWaalsContact O-CD2 3.28Å; R1420-Y1424 WeakPolarHBondContact O-CD2 3.44Å; R1420-Y1424 PolarHBondContact O-N 3.31Å; R1420-Y1424 VanDerWaalsContact O-N 3.13Å
1421C78.8Confident67.8Low0 Ų014.8 Ų14.80%09%0.092CC..Hα-helixtrans-55.4-43174.8-61.30000111.4P1216 F1361 A1417 F1418 Y1424 L1425P1216-C1421 PolarHBondContact O-SG 3.23Å; F1361-C1421 HydrophobicContact CD1-CB 4.43Å; F1361-C1421 HydrophobicContact CE1-CB 4.5Å; A1417-C1421 PolarHBondContact O-N 3.45Å; A1417-C1421 PolarHBondContact O-SG 3.01Å; F1418-C1421 PolarHBondContact O-N 3.12Å; C1421-Y1424 PolarHBondContact O-N 2.9Å; C1421-L1425 PolarHBondContact O-N 3.16Å
1422V78.5Confident68.5Low0 Ų012.5 Ų12.50%07%0.07CC..Hα-helixtrans-64.6-37.61781730000112.3T1384 Y1385 L1388 F1418 P1419 R1420 L1425 F1481T1384-V1422 HydrophobicContact CG2-CG2 3.66Å; Y1385-V1422 HydrophobicContact CD1-CG1 3.15Å; Y1385-V1422 HydrophobicContact CE1-CG1 3.18Å; Y1385-V1422 HydrophobicContact CG-CG1 4.44Å; L1388-V1422 HydrophobicContact CD2-CB 4.46Å; L1388-V1422 HydrophobicContact CD2-CG1 4.27Å; F1418-V1422 HydrophobicContact CD2-CG2 3.5Å; F1418-V1422 HydrophobicContact CE2-CG2 3.33Å; F1418-V1422 HydrophobicContact CZ-CG2 4.26Å; F1418-V1422 WeakPolarHBondContact O-CB 3.49Å; F1418-V1422 WeakPolarHBondContact O-CG2 3.37Å; F1418-V1422 PolarHBondContact O-N 3.12Å; P1419-V1422 PolarHBondContact O-N 2.8Å; R1420-V1422 PolarHBondContact O-N 2.87Å; V1422-L1425 WeakPolarHBondContact O-CB 3.32Å; V1422-L1425 PolarHBondContact O-N 3.25Å; V1422-F1481 HydrophobicContact CB-CZ 4.49Å; V1422-F1481 HydrophobicContact CG1-CD2 4.29Å; V1422-F1481 HydrophobicContact CG1-CE2 3.87Å; V1422-F1481 HydrophobicContact CG1-CZ 4.06Å
1423A71.5Confident69.2Low8 Ų89.9 Ų9.97%0.0666%0.06CC..Hα-helixtrans-63.5-43.2175.200000112.5P1419 R1420 G1426 F1481 L1496P1419-A1423 WeakPolarHBondContact O-CB 3.36Å; P1419-A1423 PolarHBondContact O-N 3.47Å; R1420-A1423 WeakPolarHBondContact O-CB 3.3Å; R1420-A1423 PolarHBondContact O-N 3.49Å; R1420-A1423 VanDerWaalsContact O-N 3.08Å; A1423-G1426 PolarHBondContact O-N 2.82Å; A1423-F1481 HydrophobicContact CB-CD1 3.83Å; A1423-F1481 HydrophobicContact CB-CE1 3.53Å; A1423-L1496 HydrophobicContact CB-CD2 3.22Å
1424Y72.4Confident70.1Confident14 Ų149.3 Ų9.36%0.0556%0.056CC..Hα-helixtrans-70.9-28.5176.4-77.8-83000113L1218 L1348 L1350 R1420 C1421 G1426 A1427 A1494 L1496L1218-Y1424 HydrophobicContact CD1-CD2 3.39Å; L1218-Y1424 HydrophobicContact CD1-CE2 3.67Å; L1218-Y1424 HydrophobicContact CD1-CG 4.43Å; L1218-Y1424 HydrophobicContact CD2-CD2 4.22Å; L1218-Y1424 HydrophobicContact CD2-CE2 4.23Å; L1218-Y1424 HydrophobicContact CG-CD2 4.38Å; L1218-Y1424 HydrophobicContact CG-CE2 4.38Å; L1348-Y1424 HydrophobicContact CB-CE1 4.29Å; L1348-Y1424 WeakPolarHBondContact CB-OH 3.38Å; L1350-Y1424 HydrophobicContact CD1-CD1 3.37Å; L1350-Y1424 HydrophobicContact CD1-CD2 4.33Å; L1350-Y1424 HydrophobicContact CD1-CE1 3.81Å; L1350-Y1424 HydrophobicContact CD1-CG 3.67Å; L1350-Y1424 HydrophobicContact CD2-CE1 4.23Å; L1350-Y1424 HydrophobicContact CG-CD1 3.93Å; L1350-Y1424 HydrophobicContact CG-CE1 3.87Å; R1420-Y1424 VanDerWaalsContact O-CD2 3.28Å; R1420-Y1424 WeakPolarHBondContact O-CD2 3.44Å; R1420-Y1424 PolarHBondContact O-N 3.31Å; R1420-Y1424 VanDerWaalsContact O-N 3.13Å; C1421-Y1424 PolarHBondContact O-N 2.9Å; Y1424-G1426 VanDerWaalsContact C-N 3.29Å; Y1424-G1426 PolarHBondContact O-N 2.89Å; Y1424-A1427 WeakPolarHBondContact O-CB 3.35Å; Y1424-A1427 PolarHBondContact O-N 2.75Å; Y1424-A1494 HydrophobicContact CD1-CB 3.84Å; Y1424-A1494 HydrophobicContact CE1-CB 4.14Å; Y1424-L1496 HydrophobicContact CD2-CD2 4.18Å; Y1424-L1496 HydrophobicContact CE2-CD1 4.06Å; Y1424-L1496 HydrophobicContact CE2-CD2 4.05Å
1425L70.6Confident71Confident5 Ų59.4 Ų9.43%0.0266%0.055CC..Hα-helixtrans-57.9-42174.8-177.664.1000112I1358 V1362 L1381 T1384 C1421 V1422 A1427 A1428 F1429I1358-L1425 HydrophobicContact CG2-CD1 4.48Å; V1362-L1425 HydrophobicContact CB-CD1 4.28Å; V1362-L1425 HydrophobicContact CB-CD2 4.28Å; V1362-L1425 HydrophobicContact CG1-CD1 4Å; V1362-L1425 HydrophobicContact CG1-CD2 3.64Å; V1362-L1425 HydrophobicContact CG1-CG 4.45Å; V1362-L1425 HydrophobicContact CG2-CD1 3.85Å; V1362-L1425 HydrophobicContact CG2-CD2 3.62Å; V1362-L1425 HydrophobicContact CG2-CG 4.18Å; L1381-L1425 HydrophobicContact CD1-CB 4.39Å; L1381-L1425 HydrophobicContact CD1-CD2 3.7Å; L1381-L1425 HydrophobicContact CD1-CG 3.81Å; T1384-L1425 HydrophobicContact CG2-CD2 4.14Å; C1421-L1425 PolarHBondContact O-N 3.16Å; V1422-L1425 WeakPolarHBondContact O-CB 3.32Å; V1422-L1425 PolarHBondContact O-N 3.25Å; L1425-A1427 PolarHBondContact O-N 3.3Å; L1425-A1428 WeakPolarHBondContact O-CB 3.43Å; L1425-A1428 PolarHBondContact O-N 3.49Å; L1425-F1429 HydrophobicContact CD1-CD2 4.04Å; L1425-F1429 HydrophobicContact CD1-CE2 3.61Å; L1425-F1429 HydrophobicContact CD2-CE2 4.18Å; L1425-F1429 HydrophobicContact CG-CD2 3.98Å; L1425-F1429 HydrophobicContact CG-CE2 3.78Å; L1425-F1429 WeakPolarHBondContact O-CD2 3.49Å; L1425-F1429 PolarHBondContact O-N 3.49Å
1426G65.1Low71.4Confident1 Ų110.5 Ų10.51%0.016%0.06CC..Hα-helixtrans-55.7-35.6178.600000112.7A1423 Y1424 A1428 F1429 L1434A1423-G1426 PolarHBondContact O-N 2.82Å; Y1424-G1426 VanDerWaalsContact C-N 3.29Å; Y1424-G1426 PolarHBondContact O-N 2.89Å; G1426-A1428 VanDerWaalsContact C-N 3.35Å; G1426-A1428 PolarHBondContact O-N 3.34Å; G1426-F1429 PolarHBondContact O-N 3.23Å; G1426-L1434 WeakPolarHBondContact O-CD1 3.4Å
1427A59.9Low71.7Confident13 Ų1310.2 Ų10.211%0.1076%0.058CC..Hα-helixtrans-63.3-38.2176.100000113.3Y1424 L1425 G1430 A1494Y1424-A1427 WeakPolarHBondContact O-CB 3.35Å; Y1424-A1427 PolarHBondContact O-N 2.75Å; L1425-A1427 PolarHBondContact O-N 3.3Å; A1427-G1430 PolarHBondContact O-N 3.37Å; A1427-A1494 HydrophobicContact CB-CB 3.37Å
1428A62Low71.9Confident44 Ų4410.4 Ų10.436%0.3646%0.059SC..Hα-helixtrans-71.9-31.6-176.700000112.7L1425 G1426 G1430L1425-A1428 WeakPolarHBondContact O-CB 3.43Å; L1425-A1428 PolarHBondContact O-N 3.49Å; G1426-A1428 VanDerWaalsContact C-N 3.35Å; G1426-A1428 PolarHBondContact O-N 3.34Å; A1428-G1430 PolarHBondContact O-N 3Å
1429F61.6Low71.6Confident5 Ų510.4 Ų10.42%0.0226%0.059CC..THydrogen-bonded Turntrans-75.1-8.6173.7-80.7-85.8000113.5L1263 S1377 V1380 L1381 L1425 G1426 Y1433L1263-F1429 HydrophobicContact CD1-CD1 3.83Å; L1263-F1429 WeakPolarHBondContact CD2-O 3.35Å; S1377-F1429 WeakPolarHBondContact O-CE1 3.26Å; V1380-F1429 HydrophobicContact CB-CE1 4.44Å; V1380-F1429 HydrophobicContact CB-CZ 3.72Å; V1380-F1429 HydrophobicContact CG1-CE2 4.27Å; V1380-F1429 HydrophobicContact CG1-CZ 3.81Å; L1381-F1429 HydrophobicContact CB-CD2 4.22Å; L1381-F1429 HydrophobicContact CB-CE2 4.22Å; L1381-F1429 HydrophobicContact CD1-CD2 3.98Å; L1381-F1429 HydrophobicContact CD1-CE2 4.36Å; L1425-F1429 HydrophobicContact CD1-CD2 4.04Å; L1425-F1429 HydrophobicContact CD1-CE2 3.61Å; L1425-F1429 HydrophobicContact CD2-CE2 4.18Å; L1425-F1429 HydrophobicContact CG-CD2 3.98Å; L1425-F1429 HydrophobicContact CG-CE2 3.78Å; L1425-F1429 WeakPolarHBondContact O-CD2 3.49Å; L1425-F1429 PolarHBondContact O-N 3.49Å; G1426-F1429 PolarHBondContact O-N 3.23Å; F1429-Y1433 HydrophobicContact CB-CD1 4.02Å; F1429-Y1433 HydrophobicContact CD1-CD1 4.48Å
1430G62.8Low71.5Confident3 Ų311.1 Ų11.13%0.0316%0.062CC..  trans85.2141.4178.500000113.7A1427 A1428 H1432 Y1433 L1434 S1491A1427-G1430 PolarHBondContact O-N 3.37Å; A1428-G1430 PolarHBondContact O-N 3Å; G1430-H1432 PolarHBondContact O-N 2.96Å; G1430-Y1433 PolarHBondContact O-N 3.4Å; G1430-Y1433 VanDerWaalsContact O-N 3.13Å; G1430-L1434 PolarHBondContact O-N 3.27Å; G1430-S1491 CarbonylContact C-O 3.44Å; G1430-S1491 WeakPolarHBondContact CA-O 3.47Å
1431Q68Low71.9Confident1 Ų110.6 Ų10.61%0.0056%0.06CC..Hα-helixtrans-65.9-26.5-173-64.3-59.4-26.800113.1L1434 R1435 E1490 S1491 E1493Q1431-L1434 PolarHBondContact O-N 3.25Å; Q1431-R1435 VanDerWaalsContact O-CG 3.3Å; Q1431-R1435 WeakPolarHBondContact O-CG 3.44Å; Q1431-R1435 PolarHBondContact O-N 3.37Å; Q1431-E1490 WeakPolarHBondContact CG-O 3.49Å; Q1431-S1491 PolarHBondContact N-O 3.48Å; Q1431-E1493 PolarHBondContact NE2-O 3.19Å
1432H66.4Low72.2Confident56 Ų5610.8 Ų10.826%0.2596%0.061SC..Hα-helixtrans-61.4-46.6173-171.6-81.2000112.2W1253 G1430 L1434 R1435 F1436W1253-H1432 AromaticContact CD2-NE2 3.73Å; W1253-H1432 AromaticContact CE3-CD2 3.65Å; W1253-H1432 AromaticContact CE3-CE1 3.84Å; W1253-H1432 AromaticContact CE3-NE2 3.19Å; W1253-H1432 AromaticContact CH2-CD2 3.49Å; W1253-H1432 VanDerWaalsContact CH2-CD2 3.49Å; W1253-H1432 WeakPolarHBondContact CH2-CD2 3.08Å; W1253-H1432 AromaticContact CH2-NE2 3.74Å; W1253-H1432 AromaticContact CZ3-CD2 3.11Å; W1253-H1432 WeakPolarHBondContact CZ3-CD2 3.36Å; W1253-H1432 AromaticContact CZ3-CG 3.95Å; W1253-H1432 AromaticContact CZ3-NE2 3.22Å; W1253-H1432 WeakPolarHBondContact CZ3-NE2 3.43Å; G1430-H1432 PolarHBondContact O-N 2.96Å; H1432-L1434 PolarHBondContact O-N 2.99Å; H1432-R1435 PolarHBondContact O-N 3.21Å; H1432-F1436 PolarHBondContact O-N 3.19Å
1433Y69.1Low72.4Confident9 Ų912.5 Ų12.54%0.0357%0.069CC..Hα-helixtrans-66.5-38.6-180-179.3-105.5000111.8Y1378 L1381 F1429 G1430 F1436 T1437Y1378-Y1433 VanDerWaalsContact CA-OH 3.3Å; Y1378-Y1433 WeakPolarHBondContact CA-OH 3.33Å; Y1378-Y1433 WeakPolarHBondContact CB-OH 3.33Å; Y1378-Y1433 PolarHBondContact O-OH 3.46Å; L1381-Y1433 HydrophobicContact CB-CE1 4.29Å; L1381-Y1433 HydrophobicContact CD2-CD1 4.04Å; L1381-Y1433 HydrophobicContact CD2-CE1 3.77Å; F1429-Y1433 HydrophobicContact CB-CD1 4.02Å; F1429-Y1433 HydrophobicContact CD1-CD1 4.48Å; G1430-Y1433 PolarHBondContact O-N 3.4Å; G1430-Y1433 VanDerWaalsContact O-N 3.13Å; Y1433-F1436 PolarHBondContact O-N 3.36Å; Y1433-T1437 WeakPolarHBondContact O-CB 3.47Å; Y1433-T1437 PolarHBondContact O-N 3.46Å; Y1433-T1437 PolarHBondContact O-OG1 2.92Å
1434L76Confident73Confident2 Ų212.3 Ų12.31%0.017%0.067CC..Hα-helixtrans-62.5-44.2173.8-71179.5000112.4L1381 G1426 G1430 Q1431 H1432 F1436 T1437 L1438 M1482 A1485L1381-L1434 HydrophobicContact CD2-CD2 3.51Å; G1426-L1434 WeakPolarHBondContact O-CD1 3.4Å; G1430-L1434 PolarHBondContact O-N 3.27Å; Q1431-L1434 PolarHBondContact O-N 3.25Å; H1432-L1434 PolarHBondContact O-N 2.99Å; L1434-F1436 PolarHBondContact O-N 2.95Å; L1434-T1437 PolarHBondContact O-N 2.86Å; L1434-L1438 VanDerWaalsContact O-CB 3.28Å; L1434-L1438 WeakPolarHBondContact O-CB 3.19Å; L1434-L1438 PolarHBondContact O-N 3.28Å; L1434-M1482 HydrophobicContact CD2-CG 4.25Å; L1434-A1485 HydrophobicContact CB-CB 3.51Å; L1434-A1485 HydrophobicContact CD1-CB 4.15Å
1435R77Confident73.6Confident9 Ų912 Ų123%0.0347%0.066CC..Hα-helixtrans-62.2-42176.3-69.8174.5-156.7124.11112L1250 Q1431 H1432 L1438 L1439 A1485 L1486 S1488L1250-R1435 HydrophobicContact CD1-CB 4.14Å; L1250-R1435 HydrophobicContact CD2-CB 3.95Å; Q1431-R1435 VanDerWaalsContact O-CG 3.3Å; Q1431-R1435 WeakPolarHBondContact O-CG 3.44Å; Q1431-R1435 PolarHBondContact O-N 3.37Å; H1432-R1435 PolarHBondContact O-N 3.21Å; R1435-L1438 WeakPolarHBondContact O-CB 3.44Å; R1435-L1438 PolarHBondContact O-N 3.44Å; R1435-L1439 PolarHBondContact O-N 3.18Å; R1435-A1485 HydrophobicContact CG-CB 3.82Å; R1435-A1485 PolarHBondContact NE-O 3.36Å; R1435-A1485 PolarHBondContact NH2-O 3.35Å; R1435-L1486 HydrophobicContact CG-CD2 4.38Å; R1435-S1488 PolarHBondContact NH2-O 2.95Å
1436F73.4Confident73.9Confident27 Ų2712.7 Ų12.712%0.1187%0.069CC..Hα-helixtrans-62.4-46.4174.9174.9-95.1000111.6Y1148 H1432 Y1433 L1434 L1439 Q1440Y1148-F1436 HydrophobicContact CE1-CE1 4.34Å; Y1148-F1436 AromaticContact CZ-CE1 3.97Å; Y1148-F1436 WeakPolarHBondContact OH-CE1 3.01Å; H1432-F1436 PolarHBondContact O-N 3.19Å; Y1433-F1436 PolarHBondContact O-N 3.36Å; L1434-F1436 PolarHBondContact O-N 2.95Å; F1436-L1439 WeakPolarHBondContact O-CB 3.48Å; F1436-L1439 PolarHBondContact O-N 2.93Å; F1436-Q1440 HydrophobicContact CD1-CG 4.5Å; F1436-Q1440 HydrophobicContact CE1-CG 4.12Å; F1436-Q1440 HydrophobicContact CZ-CG 4.35Å; F1436-Q1440 VanDerWaalsContact CZ-NE2 3.29Å; F1436-Q1440 WeakPolarHBondContact O-CG 3.28Å; F1436-Q1440 PolarHBondContact O-N 3.11Å; F1436-Q1440 VanDerWaalsContact O-N 3.13Å
1437T76.3Confident73.9Confident1 Ų115.2 Ų15.21%0.0069%0.086CC..Hα-helixtrans-68.6-36.6-179.9-47.30000111.5Y1148 Y1433 L1434 L1439 Q1440 Q1441 M1482Y1148-T1437 HydrophobicContact CD1-CG2 4.29Å; Y1148-T1437 HydrophobicContact CE1-CG2 4.5Å; Y1433-T1437 WeakPolarHBondContact O-CB 3.47Å; Y1433-T1437 PolarHBondContact O-N 3.46Å; Y1433-T1437 PolarHBondContact O-OG1 2.92Å; L1434-T1437 PolarHBondContact O-N 2.86Å; T1437-L1439 VanDerWaalsContact C-N 3.31Å; T1437-L1439 PolarHBondContact O-N 2.69Å; T1437-Q1440 WeakPolarHBondContact O-CB 3.3Å; T1437-Q1440 PolarHBondContact O-N 2.93Å; T1437-Q1440 VanDerWaalsContact O-N 3.11Å; T1437-Q1441 WeakPolarHBondContact O-CG 3.43Å; T1437-Q1441 PolarHBondContact O-N 2.78Å; T1437-M1482 HydrophobicContact CG2-CE 3.38Å; T1437-M1482 HydrophobicContact CG2-SD 3.71Å
1438L81.8Confident73.7Confident4 Ų416.8 Ų16.82%0.02110%0.096CC..Hα-helixtrans-56.8-45.7171.6-177.259.3000110.9L1434 R1435 Q1440 Q1441 L1442 M1479 M1482 M1483 L1486L1434-L1438 VanDerWaalsContact O-CB 3.28Å; L1434-L1438 WeakPolarHBondContact O-CB 3.19Å; L1434-L1438 PolarHBondContact O-N 3.28Å; R1435-L1438 WeakPolarHBondContact O-CB 3.44Å; R1435-L1438 PolarHBondContact O-N 3.44Å; L1438-Q1440 VanDerWaalsContact C-N 3.29Å; L1438-Q1440 PolarHBondContact O-N 2.9Å; L1438-Q1441 PolarHBondContact O-N 3.07Å; L1438-Q1441 VanDerWaalsContact O-N 3.17Å; L1438-L1442 HydrophobicContact CD1-CD1 3.86Å; L1438-L1442 HydrophobicContact CD1-CG 4.07Å; L1438-L1442 HydrophobicContact CD2-CD1 4.37Å; L1438-L1442 HydrophobicContact CG-CD1 3.74Å; L1438-L1442 HydrophobicContact CG-CG 4.33Å; L1438-L1442 WeakPolarHBondContact O-CB 3.27Å; L1438-L1442 WeakPolarHBondContact O-CG 3.16Å; L1438-L1442 PolarHBondContact O-N 3.21Å; L1438-M1479 HydrophobicContact CD1-CG 4.41Å; L1438-M1482 HydrophobicContact CB-CB 3.87Å; L1438-M1482 HydrophobicContact CD1-CB 3.84Å; L1438-M1482 HydrophobicContact CG-CB 4.34Å; L1438-M1483 HydrophobicContact CD1-CG 4.07Å; L1438-M1483 HydrophobicContact CD1-SD 4.18Å; L1438-M1483 HydrophobicContact CD2-SD 4.09Å; L1438-L1486 HydrophobicContact CD2-CD1 4.07Å; L1438-L1486 HydrophobicContact CD2-CD2 3.74Å; L1438-L1486 HydrophobicContact CD2-CG 3.9Å
1439L77.9Confident73.1Confident3 Ų325.2 Ų25.22%0.01612%0.119CC..Hα-helixtrans-58.7-42.9176.1-178.864.6000110.9I1247 L1250 R1435 F1436 T1437 L1442 K1443 F1451I1247-L1439 HydrophobicContact CB-CD1 4.44Å; I1247-L1439 HydrophobicContact CG1-CD1 4.26Å; I1247-L1439 HydrophobicContact CG2-CD1 3.63Å; L1250-L1439 HydrophobicContact CB-CD2 4.38Å; R1435-L1439 PolarHBondContact O-N 3.18Å; F1436-L1439 WeakPolarHBondContact O-CB 3.48Å; F1436-L1439 PolarHBondContact O-N 2.93Å; T1437-L1439 VanDerWaalsContact C-N 3.31Å; T1437-L1439 PolarHBondContact O-N 2.69Å; L1439-L1442 PolarHBondContact O-N 3.27Å; L1439-K1443 WeakPolarHBondContact O-CG 3.14Å; L1439-K1443 PolarHBondContact O-N 2.93Å; L1439-F1451 HydrophobicContact CD1-CE1 3.88Å; L1439-F1451 HydrophobicContact CD1-CZ 3.89Å
1440Q77.4Confident72.6Confident16 Ų1628.2 Ų28.28%0.07513%0.134CC..Hα-helixtrans-62.1-46.4174.7-54.6-57.7-26.900111.3Y1148 Y1149 F1436 T1437 L1438 L1442 K1443Y1148-Q1440 HydrophobicContact CD1-CB 3.85Å; Y1148-Q1440 HydrophobicContact CD1-CG 3.93Å; Y1148-Q1440 HydrophobicContact CD2-CB 4.06Å; Y1148-Q1440 HydrophobicContact CD2-CG 3.92Å; Y1148-Q1440 HydrophobicContact CE1-CB 4.39Å; Y1148-Q1440 HydrophobicContact CE1-CG 3.95Å; Y1148-Q1440 HydrophobicContact CE2-CG 3.95Å; Y1148-Q1440 HydrophobicContact CG-CB 3.69Å; Y1148-Q1440 HydrophobicContact CG-CG 3.94Å; Y1149-Q1440 VanDerWaalsContact CE1-O 3.27Å; Y1149-Q1440 WeakPolarHBondContact CE1-O 3.39Å; Y1149-Q1440 PolarHBondContact OH-O 2.92Å; F1436-Q1440 HydrophobicContact CD1-CG 4.5Å; F1436-Q1440 HydrophobicContact CE1-CG 4.12Å; F1436-Q1440 HydrophobicContact CZ-CG 4.35Å; F1436-Q1440 VanDerWaalsContact CZ-NE2 3.29Å; F1436-Q1440 WeakPolarHBondContact O-CG 3.28Å; F1436-Q1440 PolarHBondContact O-N 3.11Å; F1436-Q1440 VanDerWaalsContact O-N 3.13Å; T1437-Q1440 WeakPolarHBondContact O-CB 3.3Å; T1437-Q1440 PolarHBondContact O-N 2.93Å; T1437-Q1440 VanDerWaalsContact O-N 3.11Å; L1438-Q1440 VanDerWaalsContact C-N 3.29Å; L1438-Q1440 PolarHBondContact O-N 2.9Å; Q1440-L1442 VanDerWaalsContact C-N 3.31Å; Q1440-L1442 PolarHBondContact O-N 3.17Å; Q1440-K1443 PolarHBondContact O-N 3.46Å
1441Q84.3Confident72.1Confident2 Ų229.1 Ų29.11%0.00914%0.137CC..Hα-helixtrans-62.9-32.7178-64.8-51.5-52.200113.9Y1148 T1437 L1438 P1444 F1445 L1478 M1479 M1482Y1148-Q1441 PolarHBondContact O-NE2 3.22Å; T1437-Q1441 WeakPolarHBondContact O-CG 3.43Å; T1437-Q1441 PolarHBondContact O-N 2.78Å; L1438-Q1441 PolarHBondContact O-N 3.07Å; L1438-Q1441 VanDerWaalsContact O-N 3.17Å; Q1441-P1444 WeakPolarHBondContact O-CD 3.34Å; Q1441-F1445 WeakPolarHBondContact O-CD2 3.3Å; Q1441-F1445 WeakPolarHBondContact O-CE2 3.49Å; Q1441-L1478 HydrophobicContact CG-CB 4.31Å; Q1441-L1478 HydrophobicContact CG-CD2 4.42Å; Q1441-M1479 HydrophobicContact CB-CG 3.63Å; Q1441-M1479 HydrophobicContact CB-SD 4.3Å; Q1441-M1479 HydrophobicContact CG-CG 4.32Å; Q1441-M1482 HydrophobicContact CG-CE 4.05Å; Q1441-M1482 HydrophobicContact CG-SD 3.57Å; Q1441-M1482 VanDerWaalsContact CG-SD 3.57Å
1442L84.6Confident71.1Confident3 Ų335.2 Ų35.22%0.01617%0.166CC..Hα-helixtrans-81.9-21.6-177.8-73.3172.8000113.5I1243 I1247 L1438 L1439 Q1440 F1445 L1446 M1479I1243-L1442 HydrophobicContact CG2-CD1 4.38Å; I1247-L1442 HydrophobicContact CD1-CB 4.4Å; I1247-L1442 HydrophobicContact CD1-CD1 3.77Å; L1438-L1442 HydrophobicContact CD1-CD1 3.86Å; L1438-L1442 HydrophobicContact CD1-CG 4.07Å; L1438-L1442 HydrophobicContact CD2-CD1 4.37Å; L1438-L1442 HydrophobicContact CG-CD1 3.74Å; L1438-L1442 HydrophobicContact CG-CG 4.33Å; L1438-L1442 WeakPolarHBondContact O-CB 3.27Å; L1438-L1442 WeakPolarHBondContact O-CG 3.16Å; L1438-L1442 PolarHBondContact O-N 3.21Å; L1439-L1442 PolarHBondContact O-N 3.27Å; Q1440-L1442 VanDerWaalsContact C-N 3.31Å; Q1440-L1442 PolarHBondContact O-N 3.17Å; L1442-F1445 WeakPolarHBondContact O-CA 3.3Å; L1442-F1445 WeakPolarHBondContact O-CB 3.17Å; L1442-F1445 PolarHBondContact O-N 2.88Å; L1442-L1446 HydrophobicContact CB-CD1 3.98Å; L1442-L1446 WeakPolarHBondContact O-CG 3.05Å; L1442-L1446 PolarHBondContact O-N 3.17Å; L1442-M1479 HydrophobicContact CD2-SD 3.62Å; L1442-M1479 HydrophobicContact CG-SD 4.29Å
1443K81.8Confident69.9Low37 Ų3742.3 Ų42.316%0.16120%0.196CC..G310 helixtrans-50.9-44.2-178.9-85.3170.1-178.2-177.30114.4L1439 Q1440 F1445 L1446 F1451 I1464L1439-K1443 WeakPolarHBondContact O-CG 3.14Å; L1439-K1443 PolarHBondContact O-N 2.93Å; Q1440-K1443 PolarHBondContact O-N 3.46Å; K1443-F1445 PolarHBondContact O-N 2.88Å; K1443-L1446 PolarHBondContact O-N 3.32Å; K1443-F1451 HydrophobicContact CG-CE1 4.5Å; K1443-F1451 HydrophobicContact CG-CE2 4.45Å; K1443-F1451 HydrophobicContact CG-CZ 4.36Å; K1443-I1464 HydrophobicContact CB-CD1 4.44Å; K1443-I1464 HydrophobicContact CB-CG2 3.87Å; K1443-I1464 HydrophobicContact CD-CD1 3.79Å; K1443-I1464 HydrophobicContact CD-CG1 4.25Å; K1443-I1464 HydrophobicContact CG-CD1 4.35Å
1444P84.6Confident68.7Low4 Ų444.5 Ų44.53%0.02622%0.216CC..G310 helixtrans-61.4-29.2176-24.735000113.9Y1149 Q1441 I1464 P1465 V1467 I1470Y1149-P1444 HydrophobicContact CD1-CG 3.83Å; Y1149-P1444 HydrophobicContact CE1-CG 3.24Å; Q1441-P1444 WeakPolarHBondContact O-CD 3.34Å; P1444-I1464 HydrophobicContact CG-CG2 4.5Å; P1444-P1465 WeakPolarHBondContact CB-O 3.47Å; P1444-P1465 HydrophobicContact CG-CG 4.44Å; P1444-P1465 WeakPolarHBondContact CG-O 3.36Å; P1444-V1467 VanDerWaalsContact O-CG1 3.27Å; P1444-V1467 WeakPolarHBondContact O-CG1 3.42Å; P1444-I1470 HydrophobicContact CB-CD1 3.87Å; P1444-I1470 HydrophobicContact CG-CD1 4.14Å
1445F86Confident67Low6 Ų649.3 Ų49.33%0.02625%0.246CC..G310 helixtrans-89.2-15.7-175.9-60.1-87.2000113.3Q1441 L1442 K1443 V1467 I1470 L1472 M1479 L1509 V1510 A1513 W1636Q1441-F1445 WeakPolarHBondContact O-CD2 3.3Å; Q1441-F1445 WeakPolarHBondContact O-CE2 3.49Å; L1442-F1445 WeakPolarHBondContact O-CA 3.3Å; L1442-F1445 WeakPolarHBondContact O-CB 3.17Å; L1442-F1445 PolarHBondContact O-N 2.88Å; K1443-F1445 PolarHBondContact O-N 2.88Å; F1445-V1467 HydrophobicContact CD1-CG1 3.93Å; F1445-V1467 HydrophobicContact CE1-CG1 4.24Å; F1445-V1467 HydrophobicContact CG-CG1 4.41Å; F1445-I1470 HydrophobicContact CE2-CD1 3.89Å; F1445-I1470 HydrophobicContact CZ-CD1 3.81Å; F1445-L1472 HydrophobicContact CE1-CD2 3.89Å; F1445-L1472 HydrophobicContact CZ-CD2 3.85Å; F1445-M1479 HydrophobicContact CD2-CE 4.23Å; F1445-M1479 HydrophobicContact CD2-SD 4.15Å; F1445-M1479 HydrophobicContact CE1-CE 4.5Å; F1445-M1479 HydrophobicContact CE2-CE 3.5Å; F1445-M1479 VanDerWaalsContact CE2-CE 3.5Å; F1445-M1479 HydrophobicContact CE2-SD 3.89Å; F1445-M1479 HydrophobicContact CZ-CE 3.66Å; F1445-L1509 HydrophobicContact CB-CD2 3.95Å; F1445-L1509 HydrophobicContact CB-CG 4.37Å; F1445-L1509 HydrophobicContact CD1-CD2 4.23Å; F1445-L1509 HydrophobicContact CD1-CG 4.02Å; F1445-L1509 HydrophobicContact CG-CD2 4.18Å; F1445-L1509 HydrophobicContact CG-CG 4.44Å; F1445-V1510 HydrophobicContact CE1-CG2 4.18Å; F1445-V1510 HydrophobicContact CZ-CG2 4.24Å; F1445-A1513 HydrophobicContact CD1-CB 4.36Å; F1445-A1513 HydrophobicContact CE1-CB 3.94Å; F1445-W1636 HydrophobicContact CB-CZ2 4.18Å; F1445-W1636 HydrophobicContact CD1-CH2 4.34Å; F1445-W1636 AromaticContact CD1-CZ2 3.97Å; F1445-W1636 HydrophobicContact CD1-CZ2 3.97Å; F1445-W1636 PolarHBondContact O-NE1 2.93Å
1446L77Confident65Low20 Ų2058.4 Ų58.411%0.10529%0.285CS..SBendtrans-92.2149.5-176.2-68.5164.6000112.3I1247 L1442 K1443 S1448 F1451I1247-L1446 HydrophobicContact CD1-CD1 3.47Å; I1247-L1446 VanDerWaalsContact CD1-CD1 3.47Å; I1247-L1446 HydrophobicContact CD1-CD2 4.36Å; I1247-L1446 HydrophobicContact CG2-CD1 4.42Å; L1442-L1446 HydrophobicContact CB-CD1 3.98Å; L1442-L1446 WeakPolarHBondContact O-CG 3.05Å; L1442-L1446 PolarHBondContact O-N 3.17Å; K1443-L1446 PolarHBondContact O-N 3.32Å; L1446-S1448 PolarHBondContact O-N 3.46Å; L1446-F1451 HydrophobicContact CB-CD2 4.49Å; L1446-F1451 HydrophobicContact CB-CE2 3.74Å; L1446-F1451 HydrophobicContact CD1-CE2 3.48Å; L1446-F1451 VanDerWaalsContact CD1-CE2 3.48Å; L1446-F1451 HydrophobicContact CD1-CZ 3.63Å; L1446-F1451 HydrophobicContact CG-CE2 4.25Å
1447P64.2Low63Low54 Ų5463.6 Ų63.635%0.35131%0.312SS..  trans-61.1128.4172.9-15.126.8000110.4R1449 L1450P1447-R1449 PolarHBondContact O-N 2.97Å; P1447-L1450 PolarHBondContact O-N 3.48Å
1448S55Low61.1Low47 Ų4768.3 Ų68.333%0.32934%0.34SS..G310 helixtrans-56.3-24.1-174.751.70000114.4L1446 L1450 F1451 E1452 L1639L1446-S1448 PolarHBondContact O-N 3.46Å; S1448-L1450 PolarHBondContact O-N 3Å; S1448-L1450 VanDerWaalsContact O-N 3.09Å; S1448-F1451 PolarHBondContact O-N 3.32Å; S1448-E1452 PolarHBondContact O-N 2.89Å; S1448-L1639 WeakPolarHBondContact OG-CD2 3.47Å
1449R51Low58.6Low221 Ų22174.6 Ų74.683%0.83438%0.381SS*.G310 helixtrans-57-24.3178-68.2-174.8-179.11730.9114.4P1447P1447-R1449 PolarHBondContact O-N 2.97Å
1450L49.3Very low56.9Low67 Ų6777.9 Ų77.935%0.35142%0.416SS..G310 helixtrans-75.4-24.8175.9-79.3159.2000112.9P1447 S1448P1447-L1450 PolarHBondContact O-N 3.48Å; S1448-L1450 PolarHBondContact O-N 3Å; S1448-L1450 VanDerWaalsContact O-N 3.09Å
1451F52.2Low55.2Low22 Ų2284.2 Ų84.210%0.09645%0.446CS..THydrogen-bonded Turntrans-117.3-4.7-172.3-60.6-75.9000114.7I1247 L1439 K1443 L1446 S1448 K1453 A1454 T1455I1247-F1451 HydrophobicContact CG2-CE1 4.24Å; I1247-F1451 HydrophobicContact CG2-CZ 3.76Å; L1439-F1451 HydrophobicContact CD1-CE1 3.88Å; L1439-F1451 HydrophobicContact CD1-CZ 3.89Å; K1443-F1451 HydrophobicContact CG-CE1 4.5Å; K1443-F1451 HydrophobicContact CG-CE2 4.45Å; K1443-F1451 HydrophobicContact CG-CZ 4.36Å; L1446-F1451 HydrophobicContact CB-CD2 4.49Å; L1446-F1451 HydrophobicContact CB-CE2 3.74Å; L1446-F1451 HydrophobicContact CD1-CE2 3.48Å; L1446-F1451 VanDerWaalsContact CD1-CE2 3.48Å; L1446-F1451 HydrophobicContact CD1-CZ 3.63Å; L1446-F1451 HydrophobicContact CG-CE2 4.25Å; S1448-F1451 PolarHBondContact O-N 3.32Å; F1451-K1453 PolarHBondContact O-N 3.27Å; F1451-K1453 VanDerWaalsContact O-N 3.11Å; F1451-A1454 PolarHBondContact O-N 3.49Å; F1451-T1455 PolarHBondContact O-OG1 2.84Å
1452E47.1Very low53.7Low129 Ų12986.4 Ų86.460%0.60346%0.46SS*.THydrogen-bonded Turntrans-59-21.1175.3-86.4172.5-166.200113.2S1448 T1455S1448-E1452 PolarHBondContact O-N 2.89Å; E1452-T1455 PolarHBondContact O-OG1 3.44Å; E1452-T1455 VanDerWaalsContact O-OG1 3.14Å
1453K42.6Very low52.6Low206 Ų20688.9 Ų88.990%0.89649%0.487SS*.THydrogen-bonded Turntrans-76.1-21.5171.2-83.1-174.3175.6-179.70114.3F1451F1451-K1453 PolarHBondContact O-N 3.27Å; F1451-K1453 VanDerWaalsContact O-N 3.11Å
1454A44.2Very low52.1Low55 Ų5590 Ų9046%0.45549%0.494SS..SBendtrans-93.5-1-175.300000114F1451 K1456F1451-A1454 PolarHBondContact O-N 3.49Å; A1454-K1456 VanDerWaalsContact C-N 3.32Å; A1454-K1456 PolarHBondContact O-N 2.94Å
1455T40.3Very low51.9Low103 Ų10390.1 Ų90.163%0.63249%0.494SS*.  trans-87.210.5-171.47.80000115F1451 E1452 M1457F1451-T1455 PolarHBondContact O-OG1 2.84Å; E1452-T1455 PolarHBondContact O-OG1 3.44Å; E1452-T1455 VanDerWaalsContact O-OG1 3.14Å; T1455-M1457 PolarHBondContact O-N 3.41Å
1456K33.8Very low51.8Low199 Ų19990.2 Ų90.287%0.86550%0.495SS*.  trans-9452.4172.9-73.8-168.9176.8-1770112.4A1454A1454-K1456 VanDerWaalsContact C-N 3.32Å; A1454-K1456 PolarHBondContact O-N 2.94Å
1457M31.4Very low52.3Low137 Ų13789.3 Ų89.368%0.67549%0.491SS*.  trans-149.1135.2172.9-89.1-16414600114.7T1455T1455-M1457 PolarHBondContact O-N 3.41Å
1458V35.9Very low53.2Low100 Ų10086.8 Ų86.861%0.60648%0.475SS*.  trans60.7111171.5-161.80000118.6
1459P29.8Very low54.5Low135 Ų13586.6 Ų86.688%0.87747%0.468SS*.THydrogen-bonded Turntrans-65131169.6-10.925.1000111.3
1460G41.6Very low56.1Low73 Ų7376.1 Ų76.175%0.75343%0.429SS*.THydrogen-bonded Turntrans110-7172.600000116.2
1461Q43.1Very low57.8Low149 Ų14973.2 Ų73.270%0.69641%0.414SS*.PPolyproline II helixtrans-81.4132170.9-74.2-164.7-9.600111.6G1463Q1461-G1463 PolarHBondContact O-N 2.72Å
1462P51.7Low59.6Low47 Ų4772.3 Ų72.331%0.30541%0.41SS..PPolyproline II helixtrans-62129.6173.826.9-36.3000110.7I1144 N1146I1144-P1462 HydrophobicContact CG2-CB 4.47Å; I1144-P1462 HydrophobicContact CG2-CG 4.26Å; I1144-P1462 WeakPolarHBondContact O-CB 3.26Å; I1144-P1462 WeakPolarHBondContact O-CG 2.99Å; N1146-P1462 HydrophobicContact CB-CB 4.45Å; N1146-P1462 HydrophobicContact CB-CG 3.82Å; N1146-P1462 PolarHBondContact ND2-O 3.29Å
1463G62.5Low61.7Low56 Ų5666.2 Ų66.258%0.57738%0.381SS*.PPolyproline II helixtrans-59.8146.2-178.400000112.8Q1461 K1641Q1461-G1463 PolarHBondContact O-N 2.72Å; G1463-K1641 PolarHBondContact O-NZ 3.29Å
1464I70.9Confident64Low61 Ų6156.6 Ų56.631%0.31334%0.34SS..PPolyproline II helixtrans-46.9124.8-179.9-61162.1000110.7K1443 P1444 K1641K1443-I1464 HydrophobicContact CB-CD1 4.44Å; K1443-I1464 HydrophobicContact CB-CG2 3.87Å; K1443-I1464 HydrophobicContact CD-CD1 3.79Å; K1443-I1464 HydrophobicContact CD-CG1 4.25Å; K1443-I1464 HydrophobicContact CG-CD1 4.35Å; P1444-I1464 HydrophobicContact CG-CG2 4.5Å; I1464-K1641 PolarHBondContact O-NZ 2.99Å
1465P79.8Confident66.1Low6 Ų654 Ų544%0.03932%0.319CS..PPolyproline II helixtrans-68.6151176.629.3-32.5000110.9W1145 Y1149 P1444 Q1469 I1470W1145-P1465 HydrophobicContact CZ2-CB 4.42Å; Y1149-P1465 HydrophobicContact CD1-CG 3.74Å; Y1149-P1465 VanDerWaalsContact CD2-CD 3.42Å; Y1149-P1465 HydrophobicContact CD2-CG 3.35Å; Y1149-P1465 HydrophobicContact CE1-CG 4.06Å; Y1149-P1465 HydrophobicContact CE2-CG 3.7Å; Y1149-P1465 HydrophobicContact CG-CG 3.33Å; P1444-P1465 WeakPolarHBondContact CB-O 3.47Å; P1444-P1465 HydrophobicContact CG-CG 4.44Å; P1444-P1465 WeakPolarHBondContact CG-O 3.36Å; P1465-Q1469 HydrophobicContact CB-CB 3.98Å; P1465-I1470 HydrophobicContact CB-CG2 3.82Å; P1465-I1470 HydrophobicContact CG-CG2 3.65Å
1466C84.8Confident68.6Low7 Ų749.1 Ų49.15%0.04729%0.289CS..PPolyproline II helixtrans-86.4169.6170.364.10000111.1L1468 Q1469 V1642 L1645C1466-L1468 PolarHBondContact O-N 2.93Å; C1466-Q1469 PolarHBondContact O-N 3.46Å; C1466-V1642 HydrophobicContact CB-CG2 3.78Å; C1466-L1645 WeakPolarHBondContact SG-CD1 3.26Å
1467V86.1Confident71.4Confident1 Ų139.7 Ų39.71%0.00625%0.247CC..THydrogen-bonded Turntrans-52.8-24.4176.7-63.40000114.4P1444 F1445 Q1469 A1513 L1516 Q1517 W1636P1444-V1467 VanDerWaalsContact O-CG1 3.27Å; P1444-V1467 WeakPolarHBondContact O-CG1 3.42Å; F1445-V1467 HydrophobicContact CD1-CG1 3.93Å; F1445-V1467 HydrophobicContact CE1-CG1 4.24Å; F1445-V1467 HydrophobicContact CG-CG1 4.41Å; V1467-Q1469 VanDerWaalsContact C-N 3.3Å; V1467-Q1469 PolarHBondContact O-N 3Å; V1467-A1513 HydrophobicContact CB-CB 4.08Å; V1467-A1513 HydrophobicContact CG1-CB 4.15Å; V1467-L1516 HydrophobicContact CG2-CD2 3.96Å; V1467-Q1517 PolarHBondContact O-NE2 3.34Å; V1467-W1636 HydrophobicContact CG1-CD2 4.05Å; V1467-W1636 HydrophobicContact CG1-CE3 4.49Å; V1467-W1636 HydrophobicContact CG1-CG 4.39Å; V1467-W1636 HydrophobicContact CG1-CZ2 4.22Å; V1467-W1636 HydrophobicContact CG2-CB 4.19Å; V1467-W1636 HydrophobicContact CG2-CD2 4.07Å; V1467-W1636 HydrophobicContact CG2-CE3 4.2Å; V1467-W1636 HydrophobicContact CG2-CG 4.08Å
1468L84.4Confident74.1Confident2 Ų233.2 Ų33.21%0.0122%0.215CC..THydrogen-bonded Turntrans-73.9-13.5177-64.8-174.5000114.9C1466 L1516 Q1517 C1520 V1642 M1646 P1652C1466-L1468 PolarHBondContact O-N 2.93Å; L1468-L1516 HydrophobicContact CD2-CG 4.06Å; L1468-Q1517 HydrophobicContact CD2-CG 4.05Å; L1468-C1520 HydrophobicContact CD1-CB 4.19Å; L1468-C1520 HydrophobicContact CD2-CB 3.85Å; L1468-V1642 HydrophobicContact CD1-CG1 3.85Å; L1468-V1642 HydrophobicContact CG-CG1 4.48Å; L1468-M1646 HydrophobicContact CD1-CG 4.47Å; L1468-M1646 HydrophobicContact CD1-SD 4.44Å; L1468-P1652 WeakPolarHBondContact O-CG 3.34Å
1469Q81.9Confident76.7Confident43 Ų4328.4 Ų28.420%0.20119%0.187CC..SBendtrans-109-7-168.5-74.3-176.3-58.300114.1W1145 P1465 C1466 V1467 L1645W1145-Q1469 HydrophobicContact CH2-CB 3.99Å; W1145-Q1469 HydrophobicContact CZ2-CB 4.39Å; W1145-Q1469 WeakPolarHBondContact CZ2-O 3.39Å; P1465-Q1469 HydrophobicContact CB-CB 3.98Å; C1466-Q1469 PolarHBondContact O-N 3.46Å; V1467-Q1469 VanDerWaalsContact C-N 3.3Å; V1467-Q1469 PolarHBondContact O-N 3Å; Q1469-L1645 HydrophobicContact CG-CD1 3.66Å
1470I83.8Confident79.5Confident1 Ų122 Ų221%0.00515%0.145CC..BIsolated β-bridgetrans-109.6149.4-171.563.2176.3000111.7Y1149 P1444 F1445 P1465 L1472 Q1517Y1149-I1470 HydrophobicContact CD1-CG2 4.06Å; Y1149-I1470 HydrophobicContact CG-CG2 4.22Å; P1444-I1470 HydrophobicContact CB-CD1 3.87Å; P1444-I1470 HydrophobicContact CG-CD1 4.14Å; F1445-I1470 HydrophobicContact CE2-CD1 3.89Å; F1445-I1470 HydrophobicContact CZ-CD1 3.81Å; P1465-I1470 HydrophobicContact CB-CG2 3.82Å; P1465-I1470 HydrophobicContact CG-CG2 3.65Å; I1470-L1472 HydrophobicContact CD1-CD2 4.07Å; I1470-L1472 HydrophobicContact CG1-CD2 3.98Å; I1470-L1472 PolarHBondContact O-N 3.02Å; I1470-Q1517 PolarHBondContact O-NE2 3.46Å
1471D86Confident81.6Confident5 Ų518.7 Ų18.73%0.02711%0.11CC..  trans-73.4107.9168.4-176.879.9000110T1150 R1393 F1473 T1474 S1475T1150-D1471 HydrophobicContact CG2-CB 4.23Å; T1150-D1471 PolarHBondContact O-N 3.28Å; R1393-D1471 IonicContact CZ-OD1 3.55Å; R1393-D1471 IonicContact NH1-OD1 3.68Å; R1393-D1471 PolarHBondContact NH1-OD1 3.16Å; R1393-D1471 IonicContact NH2-OD1 2.66Å; R1393-D1471 PolarHBondContact NH2-OD1 3.35Å; R1393-D1471 IonicContact NH2-OD2 2.81Å; R1393-D1471 PolarHBondContact NH2-OD2 3.47Å; D1471-F1473 VanDerWaalsContact C-N 3.34Å; D1471-F1473 PolarHBondContact O-N 3.4Å; D1471-T1474 WeakPolarHBondContact OD2-CB 3.42Å; D1471-T1474 PolarHBondContact OD2-N 2.96Å; D1471-T1474 PolarHBondContact OD2-OG1 3.19Å; D1471-S1475 WeakPolarHBondContact O-CB 3.4Å; D1471-S1475 PolarHBondContact O-N 2.7Å; D1471-S1475 PolarHBondContact O-OG 3.22Å
1472L89.9Confident83.6Confident3 Ų311.6 Ų11.62%0.0168%0.077CC..Hα-helixtrans-68.8-30.4-173.3-70.9178.7000113.4F1445 I1470 Y1476 V1510 A1513 L1514 Q1517 F1579F1445-L1472 HydrophobicContact CE1-CD2 3.89Å; F1445-L1472 HydrophobicContact CZ-CD2 3.85Å; I1470-L1472 HydrophobicContact CD1-CD2 4.07Å; I1470-L1472 HydrophobicContact CG1-CD2 3.98Å; I1470-L1472 PolarHBondContact O-N 3.02Å; L1472-Y1476 WeakPolarHBondContact O-CB 3.37Å; L1472-Y1476 PolarHBondContact O-N 3.05Å; L1472-V1510 HydrophobicContact CB-CG1 3.79Å; L1472-V1510 HydrophobicContact CD2-CG1 4.33Å; L1472-V1510 HydrophobicContact CG-CG1 4.48Å; L1472-V1510 WeakPolarHBondContact O-CG1 3.36Å; L1472-A1513 HydrophobicContact CD1-CB 3.93Å; L1472-A1513 HydrophobicContact CD2-CB 3.84Å; L1472-L1514 HydrophobicContact CD1-CB 3.73Å; L1472-L1514 HydrophobicContact CD1-CD1 4.14Å; L1472-Q1517 HydrophobicContact CD1-CG 3.97Å; L1472-F1579 HydrophobicContact CB-CE2 4.26Å
1473F91.5Very high85.2Confident2 Ų29.5 Ų9.51%0.0096%0.063CC..Hα-helixtrans-70.9-46.8178.1-179.8-109.3000111.2A1389 I1392 D1471 S1475 Y1476 V1477 F1579 M1582 V1583 F1586A1389-F1473 HydrophobicContact CB-CD1 4.2Å; A1389-F1473 HydrophobicContact CB-CE1 4.14Å; A1389-F1473 WeakPolarHBondContact O-CE1 3.23Å; I1392-F1473 HydrophobicContact CB-CE1 4.16Å; I1392-F1473 HydrophobicContact CB-CZ 4.14Å; I1392-F1473 HydrophobicContact CD1-CZ 4.44Å; I1392-F1473 HydrophobicContact CG2-CE1 4.14Å; I1392-F1473 HydrophobicContact CG2-CZ 3.73Å; D1471-F1473 VanDerWaalsContact C-N 3.34Å; D1471-F1473 PolarHBondContact O-N 3.4Å; F1473-S1475 VanDerWaalsContact C-N 3.3Å; F1473-S1475 PolarHBondContact O-N 2.76Å; F1473-Y1476 WeakPolarHBondContact O-CB 3.44Å; F1473-Y1476 PolarHBondContact O-N 2.93Å; F1473-Y1476 VanDerWaalsContact O-N 3.17Å; F1473-V1477 HydrophobicContact CE1-CG2 4.03Å; F1473-V1477 HydrophobicContact CE2-CG2 4.22Å; F1473-V1477 HydrophobicContact CZ-CG2 3.85Å; F1473-V1477 WeakPolarHBondContact O-CG2 3.37Å; F1473-V1477 PolarHBondContact O-N 3.02Å; F1473-F1579 HydrophobicContact CB-CD2 4.25Å; F1473-F1579 HydrophobicContact CB-CE2 3.88Å; F1473-F1579 HydrophobicContact CD2-CE2 4.32Å; F1473-M1582 HydrophobicContact CB-CE 4.33Å; F1473-M1582 HydrophobicContact CD1-SD 4.12Å; F1473-M1582 HydrophobicContact CD2-CB 3.88Å; F1473-M1582 HydrophobicContact CD2-CE 4.48Å; F1473-M1582 HydrophobicContact CE1-CB 4.19Å; F1473-M1582 HydrophobicContact CE1-SD 4.37Å; F1473-M1582 HydrophobicContact CE2-CB 3.51Å; F1473-M1582 HydrophobicContact CG-CB 4.39Å; F1473-M1582 HydrophobicContact CG-CE 4.21Å; F1473-M1582 HydrophobicContact CG-SD 4.27Å; F1473-M1582 HydrophobicContact CZ-CB 3.69Å; F1473-V1583 HydrophobicContact CD2-CG2 4.16Å; F1473-V1583 HydrophobicContact CE2-CG2 4.13Å; F1473-F1586 HydrophobicContact CZ-CB 4.35Å
1474T89.8Confident85.9Confident3 Ų37 Ų72%0.0184%0.036CC..Hα-helixtrans-59.1-45.5173.4-58.20000110T1150 Q1386 A1389 D1471 Y1476 V1477 L1478T1150-T1474 HydrophobicContact CG2-CG2 4.43Å; T1150-T1474 WeakPolarHBondContact OG1-CG2 3.35Å; Q1386-T1474 HydrophobicContact CB-CG2 4.5Å; Q1386-T1474 HydrophobicContact CG-CG2 3.86Å; A1389-T1474 HydrophobicContact CB-CG2 4.08Å; D1471-T1474 WeakPolarHBondContact OD2-CB 3.42Å; D1471-T1474 PolarHBondContact OD2-N 2.96Å; D1471-T1474 PolarHBondContact OD2-OG1 3.19Å; T1474-Y1476 VanDerWaalsContact C-N 3.32Å; T1474-Y1476 PolarHBondContact O-N 2.94Å; T1474-V1477 PolarHBondContact O-N 3.37Å; T1474-L1478 HydrophobicContact CG2-CD1 3.56Å; T1474-L1478 WeakPolarHBondContact O-CD1 3.48Å; T1474-L1478 PolarHBondContact O-N 2.81Å
1475S89.7Confident86.1Confident2 Ų24.1 Ų4.11%0.0142%0.021CC..Hα-helixtrans-58.4-41.6175.5-54.10000112.3D1471 F1473 L1478 M1479D1471-S1475 WeakPolarHBondContact O-CB 3.4Å; D1471-S1475 PolarHBondContact O-N 2.7Å; D1471-S1475 PolarHBondContact O-OG 3.22Å; F1473-S1475 VanDerWaalsContact C-N 3.3Å; F1473-S1475 PolarHBondContact O-N 2.76Å; S1475-L1478 PolarHBondContact O-N 3.33Å; S1475-M1479 WeakPolarHBondContact O-CB 3.3Å; S1475-M1479 WeakPolarHBondContact O-CE 3.4Å; S1475-M1479 VanDerWaalsContact O-CG 3.27Å; S1475-M1479 WeakPolarHBondContact O-CG 3.37Å; S1475-M1479 PolarHBondContact O-N 3.47Å
1476Y92.7Very high86Confident0 Ų03.8 Ų3.80%02%0.02CC..Hα-helixtrans-61.6-45.9175177.8-106.9000112.4L1472 F1473 T1474 T1480 L1506 L1507 V1510 V1583 F1586 Q1587L1472-Y1476 WeakPolarHBondContact O-CB 3.37Å; L1472-Y1476 PolarHBondContact O-N 3.05Å; F1473-Y1476 WeakPolarHBondContact O-CB 3.44Å; F1473-Y1476 PolarHBondContact O-N 2.93Å; F1473-Y1476 VanDerWaalsContact O-N 3.17Å; T1474-Y1476 VanDerWaalsContact C-N 3.32Å; T1474-Y1476 PolarHBondContact O-N 2.94Å; Y1476-T1480 WeakPolarHBondContact O-CB 3.3Å; Y1476-T1480 PolarHBondContact O-N 3.08Å; Y1476-T1480 PolarHBondContact O-OG1 2.91Å; Y1476-L1506 HydrophobicContact CD2-CD2 4.13Å; Y1476-L1506 HydrophobicContact CD2-CG 4.01Å; Y1476-L1506 HydrophobicContact CE2-CD2 4.18Å; Y1476-L1506 HydrophobicContact CE2-CG 4.12Å; Y1476-L1507 HydrophobicContact CE2-CB 3.85Å; Y1476-L1507 HydrophobicContact CE2-CD1 4.17Å; Y1476-V1510 HydrophobicContact CD2-CB 4.46Å; Y1476-V1510 HydrophobicContact CD2-CG2 4.16Å; Y1476-V1583 HydrophobicContact CD1-CG2 4.09Å; Y1476-V1583 HydrophobicContact CE1-CB 4.42Å; Y1476-V1583 HydrophobicContact CE1-CG1 3.77Å; Y1476-V1583 HydrophobicContact CE1-CG2 4.02Å; Y1476-F1586 HydrophobicContact CD1-CD1 4.08Å; Y1476-F1586 HydrophobicContact CD1-CE1 4.26Å; Y1476-F1586 AromaticContact CE1-CD1 3.72Å; Y1476-F1586 HydrophobicContact CE1-CD1 3.72Å; Y1476-F1586 HydrophobicContact CE1-CE1 4.03Å; Y1476-Q1587 PolarHBondContact OH-NE2 3.4Å
1477V91.3Very high85.5Confident0 Ų03.9 Ų3.90%02%0.02CC..Hα-helixtrans-60.7-49.4176.9171.60000110.7L1388 A1389 F1473 T1474 T1480 F1481 F1586L1388-V1477 HydrophobicContact CD2-CG1 4.19Å; L1388-V1477 HydrophobicContact CG-CG1 4.44Å; A1389-V1477 HydrophobicContact CB-CB 4.21Å; A1389-V1477 HydrophobicContact CB-CG1 4.39Å; A1389-V1477 HydrophobicContact CB-CG2 4.07Å; F1473-V1477 HydrophobicContact CE1-CG2 4.03Å; F1473-V1477 HydrophobicContact CE2-CG2 4.22Å; F1473-V1477 HydrophobicContact CZ-CG2 3.85Å; F1473-V1477 WeakPolarHBondContact O-CG2 3.37Å; F1473-V1477 PolarHBondContact O-N 3.02Å; T1474-V1477 PolarHBondContact O-N 3.37Å; V1477-T1480 PolarHBondContact O-N 3.41Å; V1477-F1481 HydrophobicContact CG1-CD2 4.33Å; V1477-F1481 HydrophobicContact CG1-CE2 3.94Å; V1477-F1481 VanDerWaalsContact O-CD2 3.26Å; V1477-F1481 WeakPolarHBondContact O-CD2 3.36Å; V1477-F1481 PolarHBondContact O-N 3.26Å; V1477-F1586 HydrophobicContact CB-CE1 4.39Å; V1477-F1586 HydrophobicContact CB-CE2 4.47Å; V1477-F1586 HydrophobicContact CB-CZ 4.14Å; V1477-F1586 HydrophobicContact CG1-CE2 3.9Å; V1477-F1586 HydrophobicContact CG1-CZ 3.87Å; V1477-F1586 HydrophobicContact CG2-CD1 4.09Å; V1477-F1586 HydrophobicContact CG2-CD2 4.21Å; V1477-F1586 HydrophobicContact CG2-CE1 4.04Å; V1477-F1586 HydrophobicContact CG2-CE2 4.16Å; V1477-F1586 HydrophobicContact CG2-CG 4.16Å; V1477-F1586 HydrophobicContact CG2-CZ 4.06Å
1478L89.4Confident84.8Confident1 Ų13.9 Ų3.91%0.0052%0.02CC..Hα-helixtrans-59.1-52.5178.7-89.470.8000111.2Q1382 Y1385 Q1386 Q1441 T1474 S1475 T1480 F1481 M1482Q1382-L1478 HydrophobicContact CG-CD2 4.34Å; Y1385-L1478 HydrophobicContact CD2-CG 3.94Å; Y1385-L1478 HydrophobicContact CG-CG 4.32Å; Q1386-L1478 HydrophobicContact CG-CD1 4.47Å; Q1441-L1478 HydrophobicContact CG-CB 4.31Å; Q1441-L1478 HydrophobicContact CG-CD2 4.42Å; T1474-L1478 HydrophobicContact CG2-CD1 3.56Å; T1474-L1478 WeakPolarHBondContact O-CD1 3.48Å; T1474-L1478 PolarHBondContact O-N 2.81Å; S1475-L1478 PolarHBondContact O-N 3.33Å; L1478-T1480 VanDerWaalsContact C-N 3.3Å; L1478-T1480 PolarHBondContact O-N 3.42Å; L1478-F1481 PolarHBondContact O-N 3.03Å; L1478-M1482 HydrophobicContact CB-CE 3.85Å; L1478-M1482 HydrophobicContact CD2-CE 3.98Å; L1478-M1482 HydrophobicContact CG-CE 3.95Å; L1478-M1482 WeakPolarHBondContact O-CG 3.29Å; L1478-M1482 PolarHBondContact O-N 3.13Å
1479M90Very high84Confident0 Ų08 Ų80%04%0.04CC..Hα-helixtrans-63.2-35-179.1-72.5-174.2-70.100112.4L1438 Q1441 L1442 F1445 S1475 F1481 M1482 M1483 L1506 V1510L1438-M1479 HydrophobicContact CD1-CG 4.41Å; Q1441-M1479 HydrophobicContact CB-CG 3.63Å; Q1441-M1479 HydrophobicContact CB-SD 4.3Å; Q1441-M1479 HydrophobicContact CG-CG 4.32Å; L1442-M1479 HydrophobicContact CD2-SD 3.62Å; L1442-M1479 HydrophobicContact CG-SD 4.29Å; F1445-M1479 HydrophobicContact CD2-CE 4.23Å; F1445-M1479 HydrophobicContact CD2-SD 4.15Å; F1445-M1479 HydrophobicContact CE1-CE 4.5Å; F1445-M1479 HydrophobicContact CE2-CE 3.5Å; F1445-M1479 VanDerWaalsContact CE2-CE 3.5Å; F1445-M1479 HydrophobicContact CE2-SD 3.89Å; F1445-M1479 HydrophobicContact CZ-CE 3.66Å; S1475-M1479 WeakPolarHBondContact O-CB 3.3Å; S1475-M1479 WeakPolarHBondContact O-CE 3.4Å; S1475-M1479 VanDerWaalsContact O-CG 3.27Å; S1475-M1479 WeakPolarHBondContact O-CG 3.37Å; S1475-M1479 PolarHBondContact O-N 3.47Å; M1479-F1481 VanDerWaalsContact C-N 3.33Å; M1479-F1481 PolarHBondContact O-N 3.02Å; M1479-M1482 PolarHBondContact O-N 2.59Å; M1479-M1483 VanDerWaalsContact O-CB 3.26Å; M1479-M1483 WeakPolarHBondContact O-CB 3.16Å; M1479-M1483 WeakPolarHBondContact O-CG 3.39Å; M1479-M1483 PolarHBondContact O-N 3.38Å; M1479-L1506 HydrophobicContact CB-CD1 3.92Å; M1479-L1506 HydrophobicContact CB-CD2 3.69Å; M1479-L1506 HydrophobicContact CB-CG 4.41Å; M1479-L1506 HydrophobicContact CE-CD1 3.81Å; M1479-L1506 HydrophobicContact SD-CD1 3.82Å; M1479-V1510 HydrophobicContact CE-CG2 3.56Å
1480T89.4Confident83Confident0 Ų012 Ų120%06%0.058CC..Hα-helixtrans-58.8-44.2177.5-62.50000111.6Y1476 V1477 L1478 P1497 E1503 F1586 L1590Y1476-T1480 WeakPolarHBondContact O-CB 3.3Å; Y1476-T1480 PolarHBondContact O-N 3.08Å; Y1476-T1480 PolarHBondContact O-OG1 2.91Å; V1477-T1480 PolarHBondContact O-N 3.41Å; L1478-T1480 VanDerWaalsContact C-N 3.3Å; L1478-T1480 PolarHBondContact O-N 3.42Å; T1480-P1497 HydrophobicContact CG2-CB 3.77Å; T1480-P1497 HydrophobicContact CG2-CG 4.15Å; T1480-E1503 HydrophobicContact CG2-CG 4.04Å; T1480-F1586 HydrophobicContact CG2-CE1 3.83Å; T1480-F1586 HydrophobicContact CG2-CZ 4.05Å; T1480-L1590 HydrophobicContact CG2-CD1 3.86Å
1481F86Confident81.7Confident3 Ų315.5 Ų15.51%0.0138%0.082CC..Hα-helixtrans-73.2-40.1175.7-68.4-62.6000112.7Y1385 L1388 V1422 A1423 V1477 L1478 M1479 M1483 T1484 P1497 F1586 L1590Y1385-F1481 HydrophobicContact CD1-CD2 4.2Å; Y1385-F1481 HydrophobicContact CE1-CB 4.33Å; Y1385-F1481 HydrophobicContact CE1-CD2 4.04Å; Y1385-F1481 HydrophobicContact CE1-CG 4.25Å; Y1385-F1481 HydrophobicContact CE2-CB 4.08Å; L1388-F1481 HydrophobicContact CD2-CE2 3.75Å; L1388-F1481 HydrophobicContact CD2-CZ 3.92Å; V1422-F1481 HydrophobicContact CB-CZ 4.49Å; V1422-F1481 HydrophobicContact CG1-CD2 4.29Å; V1422-F1481 HydrophobicContact CG1-CE2 3.87Å; V1422-F1481 HydrophobicContact CG1-CZ 4.06Å; A1423-F1481 HydrophobicContact CB-CD1 3.83Å; A1423-F1481 HydrophobicContact CB-CE1 3.53Å; V1477-F1481 HydrophobicContact CG1-CD2 4.33Å; V1477-F1481 HydrophobicContact CG1-CE2 3.94Å; V1477-F1481 VanDerWaalsContact O-CD2 3.26Å; V1477-F1481 WeakPolarHBondContact O-CD2 3.36Å; V1477-F1481 PolarHBondContact O-N 3.26Å; L1478-F1481 PolarHBondContact O-N 3.03Å; M1479-F1481 VanDerWaalsContact C-N 3.33Å; M1479-F1481 PolarHBondContact O-N 3.02Å; F1481-M1483 VanDerWaalsContact C-N 3.33Å; F1481-M1483 PolarHBondContact O-N 3.34Å; F1481-T1484 PolarHBondContact O-N 3.07Å; F1481-T1484 PolarHBondContact O-OG1 3.31Å; F1481-P1497 HydrophobicContact CD1-CG 4.01Å; F1481-P1497 HydrophobicContact CE1-CG 4.09Å; F1481-F1586 AromaticContact CE2-CE2 3.9Å; F1481-F1586 HydrophobicContact CE2-CE2 3.9Å; F1481-F1586 AromaticContact CE2-CZ 3.89Å; F1481-F1586 HydrophobicContact CE2-CZ 3.89Å; F1481-F1586 AromaticContact CZ-CE2 3.92Å; F1481-F1586 HydrophobicContact CZ-CE2 3.92Å; F1481-F1586 HydrophobicContact CZ-CZ 4.1Å; F1481-L1590 HydrophobicContact CE1-CD2 3.64Å; F1481-L1590 HydrophobicContact CZ-CD2 3.78Å
1482M85Confident80.4Confident1 Ų120.5 Ų20.51%0.00510%0.104CC..Hα-helixtrans-72.7-26.3-175.1-64.8172.3-167.100113.1Y1385 L1434 T1437 L1438 Q1441 L1478 M1479 T1484 A1485Y1385-M1482 HydrophobicContact CD2-CE 3.73Å; Y1385-M1482 HydrophobicContact CE2-CE 3.8Å; Y1385-M1482 HydrophobicContact CE2-CG 4.23Å; L1434-M1482 HydrophobicContact CD2-CG 4.25Å; T1437-M1482 HydrophobicContact CG2-CE 3.38Å; T1437-M1482 HydrophobicContact CG2-SD 3.71Å; L1438-M1482 HydrophobicContact CB-CB 3.87Å; L1438-M1482 HydrophobicContact CD1-CB 3.84Å; L1438-M1482 HydrophobicContact CG-CB 4.34Å; Q1441-M1482 HydrophobicContact CG-CE 4.05Å; Q1441-M1482 HydrophobicContact CG-SD 3.57Å; Q1441-M1482 VanDerWaalsContact CG-SD 3.57Å; L1478-M1482 HydrophobicContact CB-CE 3.85Å; L1478-M1482 HydrophobicContact CD2-CE 3.98Å; L1478-M1482 HydrophobicContact CG-CE 3.95Å; L1478-M1482 WeakPolarHBondContact O-CG 3.29Å; L1478-M1482 PolarHBondContact O-N 3.13Å; M1479-M1482 PolarHBondContact O-N 2.59Å; M1482-T1484 PolarHBondContact O-N 3.22Å; M1482-A1485 VanDerWaalsContact O-CB 3.29Å; M1482-A1485 WeakPolarHBondContact O-CB 3.4Å; M1482-A1485 PolarHBondContact O-N 3.05Å; M1482-A1485 VanDerWaalsContact O-N 3.16Å
1483M83.7Confident79.2Confident2 Ų222.1 Ų22.11%0.0111%0.112CC..G310 helixtrans-61.9-26.5177.3-83.7-72.2-59.400113.5W1239 I1243 Y1340 L1438 M1479 F1481 A1485 L1486 C1502W1239-M1483 HydrophobicContact CZ2-CE 4.33Å; I1243-M1483 HydrophobicContact CD1-CE 3.88Å; I1243-M1483 HydrophobicContact CD1-SD 3.79Å; Y1340-M1483 HydrophobicContact CE1-CE 4.01Å; L1438-M1483 HydrophobicContact CD1-CG 4.07Å; L1438-M1483 HydrophobicContact CD1-SD 4.18Å; L1438-M1483 HydrophobicContact CD2-SD 4.09Å; M1479-M1483 VanDerWaalsContact O-CB 3.26Å; M1479-M1483 WeakPolarHBondContact O-CB 3.16Å; M1479-M1483 WeakPolarHBondContact O-CG 3.39Å; M1479-M1483 PolarHBondContact O-N 3.38Å; F1481-M1483 VanDerWaalsContact C-N 3.33Å; F1481-M1483 PolarHBondContact O-N 3.34Å; M1483-A1485 PolarHBondContact O-N 3.47Å; M1483-L1486 HydrophobicContact CE-CD1 4.04Å; M1483-L1486 WeakPolarHBondContact O-CB 3.33Å; M1483-L1486 WeakPolarHBondContact O-CG 3.43Å; M1483-L1486 PolarHBondContact O-N 3.17Å; M1483-L1486 HydrophobicContact SD-CD1 3.88Å; M1483-C1502 HydrophobicContact CE-CB 4.31Å
1484T78.5Confident77.9Confident4 Ų422.9 Ų22.93%0.02512%0.118CC..G310 helixtrans-64.4-23.1177.771.40000112Y1344 F1481 M1482 L1486 S1487 V1495 P1497Y1344-T1484 HydrophobicContact CD1-CG2 4.22Å; Y1344-T1484 HydrophobicContact CE1-CG2 3.91Å; F1481-T1484 PolarHBondContact O-N 3.07Å; F1481-T1484 PolarHBondContact O-OG1 3.31Å; M1482-T1484 PolarHBondContact O-N 3.22Å; T1484-L1486 PolarHBondContact O-N 3.35Å; T1484-L1486 VanDerWaalsContact O-N 3.16Å; T1484-S1487 PolarHBondContact O-N 3.36Å; T1484-S1487 PolarHBondContact O-OG 2.96Å; T1484-V1495 VanDerWaalsContact CB-O 3.28Å; T1484-V1495 WeakPolarHBondContact CB-O 3.29Å; T1484-V1495 HydrophobicContact CG2-CG1 4.36Å; T1484-V1495 WeakPolarHBondContact CG2-O 3.32Å; T1484-V1495 PolarHBondContact OG1-O 3.42Å; T1484-P1497 HydrophobicContact CG2-CB 4.07Å
1485A75.1Confident76.9Confident0 Ų022.9 Ų22.90%012%0.118CC..G310 helixtrans-67.4-14.8177.700000114.7L1434 R1435 M1482 M1483 S1487L1434-A1485 HydrophobicContact CB-CB 3.51Å; L1434-A1485 HydrophobicContact CD1-CB 4.15Å; R1435-A1485 HydrophobicContact CG-CB 3.82Å; R1435-A1485 PolarHBondContact NE-O 3.36Å; R1435-A1485 PolarHBondContact NH2-O 3.35Å; M1482-A1485 VanDerWaalsContact O-CB 3.29Å; M1482-A1485 WeakPolarHBondContact O-CB 3.4Å; M1482-A1485 PolarHBondContact O-N 3.05Å; M1482-A1485 VanDerWaalsContact O-N 3.16Å; M1483-A1485 PolarHBondContact O-N 3.47Å; A1485-S1487 VanDerWaalsContact C-N 3.3Å
1486L78.1Confident76.1Confident0 Ų023.4 Ų23.40%012%0.121CC..G310 helixtrans-74.5-21176.6-56.6-171.4000112.6I1243 V1246 W1334 S1336 Y1340 R1435 L1438 M1483 T1484I1243-L1486 HydrophobicContact CD1-CD1 3.76Å; V1246-L1486 HydrophobicContact CG1-CD1 3.9Å; V1246-L1486 HydrophobicContact CG1-CD2 3.46Å; V1246-L1486 VanDerWaalsContact CG1-CD2 3.46Å; V1246-L1486 HydrophobicContact CG1-CG 4.24Å; W1334-L1486 HydrophobicContact CH2-CD2 4.27Å; W1334-L1486 HydrophobicContact CZ2-CD2 4.11Å; S1336-L1486 PolarHBondContact OG-O 3.14Å; Y1340-L1486 HydrophobicContact CD1-CB 4.39Å; Y1340-L1486 HydrophobicContact CD2-CB 3.94Å; Y1340-L1486 HydrophobicContact CE1-CD1 4.17Å; Y1340-L1486 HydrophobicContact CE2-CB 4.14Å; Y1340-L1486 HydrophobicContact CE2-CD1 3.98Å; Y1340-L1486 HydrophobicContact CG-CB 4.11Å; R1435-L1486 HydrophobicContact CG-CD2 4.38Å; L1438-L1486 HydrophobicContact CD2-CD1 4.07Å; L1438-L1486 HydrophobicContact CD2-CD2 3.74Å; L1438-L1486 HydrophobicContact CD2-CG 3.9Å; M1483-L1486 HydrophobicContact CE-CD1 4.04Å; M1483-L1486 WeakPolarHBondContact O-CB 3.33Å; M1483-L1486 WeakPolarHBondContact O-CG 3.43Å; M1483-L1486 PolarHBondContact O-N 3.17Å; M1483-L1486 HydrophobicContact SD-CD1 3.88Å; T1484-L1486 PolarHBondContact O-N 3.35Å; T1484-L1486 VanDerWaalsContact O-N 3.16Å
1487S73Confident75.4Confident9 Ų923.6 Ų23.66%0.06312%0.122CC..THydrogen-bonded Turntrans-87.9-33.4-178.771.20000114.1S1336 Y1344 T1484 A1485 V1495S1336-S1487 WeakPolarHBondContact CB-O 3.49Å; S1336-S1487 VanDerWaalsContact OG-C 3.27Å; S1336-S1487 WeakPolarHBondContact OG-CA 3.36Å; S1336-S1487 PolarHBondContact OG-O 2.97Å; Y1344-S1487 WeakPolarHBondContact CB-OG 3Å; T1484-S1487 PolarHBondContact O-N 3.36Å; T1484-S1487 PolarHBondContact O-OG 2.96Å; A1485-S1487 VanDerWaalsContact C-N 3.3Å; S1487-V1495 WeakPolarHBondContact OG-CG1 3.35Å
1488S72Confident74.6Confident0 Ų024.2 Ų24.20%013%0.126CC..  trans-70.6135.6-178.51800000110.8W1334 R1435 E1490 E1493W1334-S1488 PolarHBondContact NE1-O 2.97Å; R1435-S1488 PolarHBondContact NH2-O 2.95Å; S1488-E1490 PolarHBondContact OG-N 3.06Å; S1488-E1490 PolarHBondContact OG-O 3.05Å; S1488-E1493 WeakPolarHBondContact OG-CB 3.49Å; S1488-E1493 PolarHBondContact OG-OE2 2.84Å; S1488-E1493 VanDerWaalsContact OG-OE2 3.05Å
1489E68.1Low74Confident90 Ų9024.2 Ų24.242%0.42113%0.126SC..  trans-94.4-23.9163.5-67.7-178.6164.900111.2S1336 K1341S1336-E1489 PolarHBondContact N-OE1 3.44Å; K1341-E1489 VanDerWaalsContact CE-CD 3.44Å; K1341-E1489 VanDerWaalsContact CE-OE1 3.24Å; K1341-E1489 WeakPolarHBondContact CE-OE1 3.42Å; K1341-E1489 IonicContact NZ-OE1 2.77Å; K1341-E1489 PolarHBondContact NZ-OE1 2.76Å; K1341-E1489 IonicContact NZ-OE2 2.65Å; K1341-E1489 PolarHBondContact NZ-OE2 3.03Å
1490E61.1Low73.6Confident126 Ų12624.5 Ų24.559%0.58913%0.129SC*.SBendtrans-77.1151178-61.2-171.1173.100111.5Q1431 S1488 F1492 E1493Q1431-E1490 WeakPolarHBondContact CG-O 3.49Å; S1488-E1490 PolarHBondContact OG-N 3.06Å; S1488-E1490 PolarHBondContact OG-O 3.05Å; E1490-F1492 VanDerWaalsContact C-N 3.3Å; E1490-E1493 HydrophobicContact CB-CB 4.16Å
1491S56.1Low73.3Confident74 Ų7425 Ų2552%0.51713%0.133SC..SBendtrans-70.3-26.1177.346.50000112.7G1430 Q1431G1430-S1491 CarbonylContact C-O 3.44Å; G1430-S1491 WeakPolarHBondContact CA-O 3.47Å; Q1431-S1491 PolarHBondContact N-O 3.48Å
1492F58.7Low73.3Confident111 Ų11125 Ų2549%0.48713%0.132SC..SBendtrans-139.467.1-174.9-61.6-78.7000112.2E1490E1490-F1492 VanDerWaalsContact C-N 3.3Å
1493E63.6Low73.4Confident37 Ų3725 Ų2517%0.17313%0.133CC..  trans-115.2130.9173.8-171.3-179.5176.200109.4P1346 Q1431 S1488 E1490 V1495P1346-E1493 VanDerWaalsContact CA-OE1 3.29Å; P1346-E1493 WeakPolarHBondContact CA-OE1 3.4Å; P1346-E1493 HydrophobicContact CB-CG 4.48Å; P1346-E1493 WeakPolarHBondContact CB-OE1 3.26Å; P1346-E1493 WeakPolarHBondContact CG-OE1 3.02Å; Q1431-E1493 PolarHBondContact NE2-O 3.19Å; S1488-E1493 WeakPolarHBondContact OG-CB 3.49Å; S1488-E1493 PolarHBondContact OG-OE2 2.84Å; S1488-E1493 VanDerWaalsContact OG-OE2 3.05Å; E1490-E1493 HydrophobicContact CB-CB 4.16Å; E1493-V1495 HydrophobicContact CG-CG2 4.21Å; E1493-V1495 PolarHBondContact O-N 3.39Å
1494A63.9Low73.7Confident17 Ų1725.7 Ų25.714%0.1414%0.136CC..  trans-79.3120.2174.100000109.4G1347 Y1424 A1427G1347-A1494 WeakPolarHBondContact CA-O 3.16Å; G1347-A1494 PolarHBondContact N-O 3.04Å; Y1424-A1494 HydrophobicContact CD1-CB 3.84Å; Y1424-A1494 HydrophobicContact CE1-CB 4.14Å; A1427-A1494 HydrophobicContact CB-CB 3.37Å
1495V70.4Confident74.3Confident3 Ų326.5 Ų26.52%0.01814%0.139CC..BIsolated β-bridgetrans-122.2122.6175.8-176.50000108.2Y1344 T1484 S1487 E1493Y1344-V1495 HydrophobicContact CD1-CG1 3.99Å; Y1344-V1495 HydrophobicContact CG-CG1 4.02Å; T1484-V1495 VanDerWaalsContact CB-O 3.28Å; T1484-V1495 WeakPolarHBondContact CB-O 3.29Å; T1484-V1495 HydrophobicContact CG2-CG1 4.36Å; T1484-V1495 WeakPolarHBondContact CG2-O 3.32Å; T1484-V1495 PolarHBondContact OG1-O 3.42Å; S1487-V1495 WeakPolarHBondContact OG-CG1 3.35Å; E1493-V1495 HydrophobicContact CG-CG2 4.21Å; E1493-V1495 PolarHBondContact O-N 3.39Å
1496L72.9Confident75.1Confident14 Ų1426.6 Ų26.67%0.07314%0.139CC..  trans-91.9142.5-179.5-63.9-176.3000111.3L1224 A1423 Y1424L1224-L1496 HydrophobicContact CD1-CB 4.35Å; L1224-L1496 HydrophobicContact CD1-CD1 3.42Å; L1224-L1496 VanDerWaalsContact CD1-CD1 3.42Å; L1224-L1496 HydrophobicContact CD1-CG 4.01Å; A1423-L1496 HydrophobicContact CB-CD2 3.22Å; Y1424-L1496 HydrophobicContact CD2-CD2 4.18Å; Y1424-L1496 HydrophobicContact CE2-CD1 4.06Å; Y1424-L1496 HydrophobicContact CE2-CD2 4.05Å
1497P77.6Confident75.9Confident4 Ų426.6 Ų26.63%0.02614%0.139CC..  trans-67.1134.4169.728.5-32.6000109.7T1480 F1481 T1484 L1590T1480-P1497 HydrophobicContact CG2-CB 3.77Å; T1480-P1497 HydrophobicContact CG2-CG 4.15Å; F1481-P1497 HydrophobicContact CD1-CG 4.01Å; F1481-P1497 HydrophobicContact CE1-CG 4.09Å; T1484-P1497 HydrophobicContact CG2-CB 4.07Å; P1497-L1590 HydrophobicContact CB-CD1 4.44Å; P1497-L1590 HydrophobicContact CG-CD1 3.87Å; P1497-L1590 HydrophobicContact CG-CD2 4.09Å; P1497-L1590 HydrophobicContact CG-CG 4.49Å
1498V74.3Confident76.9Confident12 Ų1228.8 Ų28.87%0.07315%0.146CC..  trans-109.5-3.7-175.6-630000113.7Q1090 Y1343Q1090-V1498 PolarHBondContact NE2-O 3.22Å; Q1090-V1498 PolarHBondContact OE1-O 3.17Å; Y1343-V1498 WeakPolarHBondContact O-CG2 3.42Å
1499G77.3Confident77.9Confident1 Ų129.5 Ų29.51%0.0115%0.15CC..  trans74.130.7-177.700000113.4L1086 G1087 Q1090L1086-G1499 WeakPolarHBondContact CA-O 3.37Å; G1087-G1499 PolarHBondContact N-O 3.37Å; Q1090-G1499 PolarHBondContact NE2-O 3.35Å
1500G81.1Confident79.1Confident6 Ų625.2 Ų25.26%0.06213%0.13CC..  trans-80.7-161.5-178.200000113.3C1502 E1503 H1504G1500-C1502 PolarHBondContact O-N 3.14Å; G1500-E1503 PolarHBondContact N-OE2 3.42Å; G1500-E1503 PolarHBondContact O-N 2.85Å; G1500-H1504 PolarHBondContact O-N 3.31Å
1501P82.6Confident80.7Confident12 Ų1219.2 Ų19.28%0.07810%0.102CC..Hα-helixtrans-58-33.3177-25.535.1000113.6F1234 Y1343 H1504 H1505F1234-P1501 HydrophobicContact CB-CB 4.45Å; F1234-P1501 HydrophobicContact CD1-CB 4.43Å; Y1343-P1501 HydrophobicContact CD1-CG 4.35Å; Y1343-P1501 HydrophobicContact CE1-CG 3.83Å; P1501-H1504 PolarHBondContact O-N 3.48Å; P1501-H1505 WeakPolarHBondContact O-CB 3.4Å; P1501-H1505 PolarHBondContact O-CD2 3.21Å; P1501-H1505 PolarHBondContact O-N 2.83Å
1502C85.3Confident82.5Confident1 Ų115.7 Ų15.71%0.0078%0.078CC..Hα-helixtrans-62.2-50-180-66.20000112.6Y1344 M1483 G1500 H1504 H1505 L1506Y1344-C1502 HydrophobicContact CE2-CB 4.46Å; Y1344-C1502 WeakPolarHBondContact OH-CB 3.45Å; M1483-C1502 HydrophobicContact CE-CB 4.31Å; G1500-C1502 PolarHBondContact O-N 3.14Å; C1502-H1504 VanDerWaalsContact C-N 3.31Å; C1502-H1504 PolarHBondContact O-N 2.89Å; C1502-H1505 PolarHBondContact O-N 3.31Å; C1502-L1506 WeakPolarHBondContact O-CB 2.85Å; C1502-L1506 PolarHBondContact O-N 2.93Å
1503E88.1Confident84.1Confident3 Ų310.4 Ų10.41%0.0145%0.054CC..Hα-helixtrans-68.1-32.9178.2-66.776.8-167.800111.5L1086 Y1344 T1480 G1500 L1506 L1507L1086-E1503 HydrophobicContact CD1-CB 3.51Å; Y1344-E1503 WeakPolarHBondContact CE1-OE1 3.44Å; Y1344-E1503 VanDerWaalsContact CZ-OE1 3.29Å; Y1344-E1503 PolarHBondContact OH-OE1 3.03Å; T1480-E1503 HydrophobicContact CG2-CG 4.04Å; G1500-E1503 PolarHBondContact N-OE2 3.42Å; G1500-E1503 PolarHBondContact O-N 2.85Å; E1503-L1506 WeakPolarHBondContact O-CB 3.2Å; E1503-L1506 PolarHBondContact O-N 3.46Å; E1503-L1507 PolarHBondContact O-N 3.11Å
1504H90.4Very high85.4Confident16 Ų169 Ų97%0.0745%0.048CC..Hα-helixtrans-66.2-41.1174.6-164.3108000112L1086 G1087 G1500 P1501 C1502 L1507 R1508 G1616 F1627L1086-H1504 HydrophobicContact CD1-CB 4.39Å; L1086-H1504 HydrophobicContact CD2-CB 4.47Å; L1086-H1504 HydrophobicContact CG-CB 3.97Å; L1086-H1504 PolarHBondContact O-ND1 3.23Å; L1086-H1504 VanDerWaalsContact O-ND1 3.12Å; G1087-H1504 VanDerWaalsContact CA-ND1 3.33Å; G1087-H1504 WeakPolarHBondContact CA-ND1 3.36Å; G1500-H1504 PolarHBondContact O-N 3.31Å; P1501-H1504 PolarHBondContact O-N 3.48Å; C1502-H1504 VanDerWaalsContact C-N 3.31Å; C1502-H1504 PolarHBondContact O-N 2.89Å; H1504-L1507 PolarHBondContact O-N 3.39Å; H1504-R1508 PolarHBondContact O-N 2.99Å; H1504-G1616 PolarHBondContact CE1-O 3.14Å; H1504-G1616 VanDerWaalsContact CE1-O 3.3Å; H1504-F1627 AromaticContact CD2-CE2 3.72Å; H1504-F1627 AromaticContact CD2-CZ 3.6Å; H1504-F1627 AromaticContact NE2-CE2 3.25Å; H1504-F1627 WeakPolarHBondContact NE2-CE2 3.32Å; H1504-F1627 AromaticContact NE2-CZ 3.38Å; H1504-F1627 WeakPolarHBondContact NE2-CZ 3.35Å
1505H91.2Very high86.7Confident21 Ų218.2 Ų8.210%0.0974%0.041CC..Hα-helixtrans-69.2-34173.6-67.2-35.1000112.4F1234 Y1236 W1239 P1501 C1502 R1508 L1509F1234-H1505 PolarHBondContact O-NE2 3.31Å; Y1236-H1505 HydrophobicContact CD2-CB 3.72Å; Y1236-H1505 AromaticContact CD2-CG 3.66Å; Y1236-H1505 AromaticContact CD2-ND1 3.42Å; Y1236-H1505 WeakPolarHBondContact CD2-ND1 2.9Å; Y1236-H1505 HydrophobicContact CE2-CB 4.02Å; Y1236-H1505 PolarHBondContact N-CE1 2.55Å; W1239-H1505 HydrophobicContact CD2-CB 3.56Å; W1239-H1505 HydrophobicContact CE3-CB 3.7Å; W1239-H1505 HydrophobicContact CG-CB 3.93Å; W1239-H1505 AromaticContact CG-CD2 3.69Å; W1239-H1505 HydrophobicContact CH2-CB 4.41Å; W1239-H1505 HydrophobicContact CZ2-CB 4.29Å; W1239-H1505 HydrophobicContact CZ3-CB 4.13Å; P1501-H1505 WeakPolarHBondContact O-CB 3.4Å; P1501-H1505 PolarHBondContact O-CD2 3.21Å; P1501-H1505 PolarHBondContact O-N 2.83Å; C1502-H1505 PolarHBondContact O-N 3.31Å; H1505-R1508 WeakPolarHBondContact O-CB 3.3Å; H1505-R1508 PolarHBondContact O-N 2.62Å; H1505-L1509 PolarHBondContact O-N 3.3Å
1506L91.8Very high87.7Confident1 Ų18.1 Ų8.11%0.0054%0.04CC..Hα-helixtrans-63.2-44171-179.464.1000111.1W1239 Y1476 M1479 C1502 E1503 R1508 L1509 V1510W1239-L1506 HydrophobicContact CZ2-CB 4.49Å; Y1476-L1506 HydrophobicContact CD2-CD2 4.13Å; Y1476-L1506 HydrophobicContact CD2-CG 4.01Å; Y1476-L1506 HydrophobicContact CE2-CD2 4.18Å; Y1476-L1506 HydrophobicContact CE2-CG 4.12Å; M1479-L1506 HydrophobicContact CB-CD1 3.92Å; M1479-L1506 HydrophobicContact CB-CD2 3.69Å; M1479-L1506 HydrophobicContact CB-CG 4.41Å; M1479-L1506 HydrophobicContact CE-CD1 3.81Å; M1479-L1506 HydrophobicContact SD-CD1 3.82Å; C1502-L1506 WeakPolarHBondContact O-CB 2.85Å; C1502-L1506 PolarHBondContact O-N 2.93Å; E1503-L1506 WeakPolarHBondContact O-CB 3.2Å; E1503-L1506 PolarHBondContact O-N 3.46Å; L1506-R1508 VanDerWaalsContact C-N 3.31Å; L1506-R1508 PolarHBondContact O-N 3.44Å; L1506-L1509 PolarHBondContact O-N 3.12Å; L1506-V1510 HydrophobicContact CD1-CG2 4.39Å; L1506-V1510 WeakPolarHBondContact O-CG2 3.47Å; L1506-V1510 PolarHBondContact O-N 3.05Å
1507L94.1Very high88.5Confident0 Ų08.1 Ų8.10%04%0.04CC..Hα-helixtrans-60.8-41.6174.3-178.958.4000110.9L1086 Y1476 E1503 H1504 L1509 V1510 L1511 F1579 V1583 L1617L1086-L1507 HydrophobicContact CD2-CB 4.08Å; L1086-L1507 HydrophobicContact CD2-CD2 3.38Å; L1086-L1507 HydrophobicContact CD2-CG 4.38Å; Y1476-L1507 HydrophobicContact CE2-CB 3.85Å; Y1476-L1507 HydrophobicContact CE2-CD1 4.17Å; E1503-L1507 PolarHBondContact O-N 3.11Å; H1504-L1507 PolarHBondContact O-N 3.39Å; L1507-L1509 VanDerWaalsContact C-N 3.33Å; L1507-L1509 PolarHBondContact O-N 3.39Å; L1507-V1510 PolarHBondContact O-N 2.86Å; L1507-L1511 WeakPolarHBondContact O-CB 3.34Å; L1507-L1511 PolarHBondContact O-N 3.23Å; L1507-F1579 HydrophobicContact CD1-CE1 3.96Å; L1507-V1583 HydrophobicContact CD1-CG1 4.09Å; L1507-V1583 HydrophobicContact CD1-CG2 4.15Å; L1507-V1583 HydrophobicContact CD2-CG1 4.1Å; L1507-L1617 HydrophobicContact CD2-CD1 4.02Å; L1507-L1617 HydrophobicContact CD2-CD2 4.22Å; L1507-L1617 HydrophobicContact CD2-CG 4.39Å
1508R94.3Very high88.9Confident56 Ų568 Ų821%0.2114%0.039CC..Hα-helixtrans-55.1-47173.3-175.2172.6176.8152.917.5112.5Y1236 H1504 H1505 L1506 S1512 F1627 L1628Y1236-R1508 HydrophobicContact CE2-CB 4.13Å; Y1236-R1508 HydrophobicContact CE2-CG 4.1Å; H1504-R1508 PolarHBondContact O-N 2.99Å; H1505-R1508 WeakPolarHBondContact O-CB 3.3Å; H1505-R1508 PolarHBondContact O-N 2.62Å; L1506-R1508 VanDerWaalsContact C-N 3.31Å; L1506-R1508 PolarHBondContact O-N 3.44Å; R1508-S1512 WeakPolarHBondContact O-CB 3.07Å; R1508-S1512 PolarHBondContact O-N 3.05Å; R1508-S1512 PolarHBondContact O-OG 3.16Å; R1508-F1627 HydrophobicContact CB-CD1 4.4Å; R1508-F1627 HydrophobicContact CB-CE1 3.56Å; R1508-F1627 HydrophobicContact CB-CE2 4.39Å; R1508-F1627 HydrophobicContact CB-CZ 3.56Å; R1508-F1627 WeakPolarHBondContact CD-O 3.45Å; R1508-F1627 HydrophobicContact CG-CD1 4.19Å; R1508-F1627 HydrophobicContact CG-CE1 3.83Å; R1508-F1627 HydrophobicContact CG-CE2 4.48Å; R1508-F1627 HydrophobicContact CG-CZ 4Å; R1508-F1627 VanDerWaalsContact CG-O 3.23Å; R1508-F1627 WeakPolarHBondContact CG-O 3.48Å; R1508-F1627 PolarHBondContact NE-O 2.99Å; R1508-F1627 PolarHBondContact NH2-O 3.36Å; R1508-L1628 PolarHBondContact NH2-O 2.99Å
1509L93.1Very high89.6Confident15 Ų157.4 Ų7.48%0.0794%0.036CC..Hα-helixtrans-63.8-49.6179.2-175.567.4000111.7W1239 F1445 H1505 L1506 L1507 S1512 A1513 A1632 W1636W1239-L1509 HydrophobicContact CH2-CD2 4.19Å; F1445-L1509 HydrophobicContact CB-CD2 3.95Å; F1445-L1509 HydrophobicContact CB-CG 4.37Å; F1445-L1509 HydrophobicContact CD1-CD2 4.23Å; F1445-L1509 HydrophobicContact CD1-CG 4.02Å; F1445-L1509 HydrophobicContact CG-CD2 4.18Å; F1445-L1509 HydrophobicContact CG-CG 4.44Å; H1505-L1509 PolarHBondContact O-N 3.3Å; L1506-L1509 PolarHBondContact O-N 3.12Å; L1507-L1509 VanDerWaalsContact C-N 3.33Å; L1507-L1509 PolarHBondContact O-N 3.39Å; L1509-S1512 WeakPolarHBondContact O-CB 3.49Å; L1509-S1512 PolarHBondContact O-N 2.86Å; L1509-A1513 PolarHBondContact O-N 2.86Å; L1509-A1513 VanDerWaalsContact O-N 3.14Å; L1509-A1632 HydrophobicContact CD1-CB 4.41Å; L1509-W1636 HydrophobicContact CD1-CH2 3.86Å; L1509-W1636 HydrophobicContact CD1-CZ2 3.73Å; L1509-W1636 HydrophobicContact CG-CH2 4.48Å; L1509-W1636 HydrophobicContact CG-CZ2 4.47Å
1510V93.5Very high90Very high0 Ų07.4 Ų7.40%04%0.036CC..Hα-helixtrans-67.9-39.6-178.6178.10000111.5F1445 L1472 Y1476 M1479 L1506 L1507 S1512 A1513 L1514 F1579F1445-V1510 HydrophobicContact CE1-CG2 4.18Å; F1445-V1510 HydrophobicContact CZ-CG2 4.24Å; L1472-V1510 HydrophobicContact CB-CG1 3.79Å; L1472-V1510 HydrophobicContact CD2-CG1 4.33Å; L1472-V1510 HydrophobicContact CG-CG1 4.48Å; L1472-V1510 WeakPolarHBondContact O-CG1 3.36Å; Y1476-V1510 HydrophobicContact CD2-CB 4.46Å; Y1476-V1510 HydrophobicContact CD2-CG2 4.16Å; M1479-V1510 HydrophobicContact CE-CG2 3.56Å; L1506-V1510 HydrophobicContact CD1-CG2 4.39Å; L1506-V1510 WeakPolarHBondContact O-CG2 3.47Å; L1506-V1510 PolarHBondContact O-N 3.05Å; L1507-V1510 PolarHBondContact O-N 2.86Å; V1510-S1512 VanDerWaalsContact C-N 3.32Å; V1510-S1512 PolarHBondContact O-N 3.1Å; V1510-A1513 CarbonylContact O-C 3.56Å; V1510-A1513 WeakPolarHBondContact O-CB 3.46Å; V1510-A1513 PolarHBondContact O-N 3.46Å; V1510-A1513 VanDerWaalsContact O-N 3.16Å; V1510-L1514 PolarHBondContact O-N 3.04Å; V1510-F1579 HydrophobicContact CG1-CE2 4.34Å; V1510-F1579 HydrophobicContact CG1-CZ 3.7Å
1511L93.7Very high90Very high0 Ų07.3 Ų7.30%03%0.034CC..Hα-helixtrans-63.3-40.8176.2-172.965.3000110.8L1507 A1513 L1514 F1515 V1576 F1579 L1580 L1624 F1627 L1628L1507-L1511 WeakPolarHBondContact O-CB 3.34Å; L1507-L1511 PolarHBondContact O-N 3.23Å; L1511-A1513 VanDerWaalsContact C-N 3.28Å; L1511-A1513 PolarHBondContact O-N 3.34Å; L1511-L1514 HydrophobicContact CD1-CD2 4Å; L1511-L1514 WeakPolarHBondContact O-CB 3.22Å; L1511-L1514 PolarHBondContact O-N 3.47Å; L1511-F1515 HydrophobicContact CD1-CD2 4.24Å; L1511-F1515 HydrophobicContact CD1-CE2 3.98Å; L1511-F1515 HydrophobicContact CD2-CE2 4.47Å; L1511-F1515 HydrophobicContact CG-CD2 4.11Å; L1511-F1515 HydrophobicContact CG-CE2 3.95Å; L1511-F1515 WeakPolarHBondContact O-CD2 3.4Å; L1511-F1515 PolarHBondContact O-N 3.16Å; L1511-V1576 HydrophobicContact CD1-CG1 4.3Å; L1511-F1579 HydrophobicContact CD1-CD1 4.46Å; L1511-L1580 HydrophobicContact CD1-CD2 4.41Å; L1511-L1624 HydrophobicContact CD2-CD1 3.75Å; L1511-L1624 HydrophobicContact CD2-CD2 4.01Å; L1511-L1624 HydrophobicContact CD2-CG 3.91Å; L1511-F1627 HydrophobicContact CD2-CD1 4.11Å; L1511-F1627 HydrophobicContact CD2-CE1 4.29Å; L1511-L1628 HydrophobicContact CB-CD2 4.48Å; L1511-L1628 HydrophobicContact CD2-CD2 4.1Å; L1511-L1628 HydrophobicContact CG-CD2 3.94Å
1512S94Very high89.4Confident0 Ų09.1 Ų9.10%05%0.047CC..Hα-helixtrans-58.8-40.3173.4-56.50000112R1508 L1509 V1510 L1516 D1629R1508-S1512 WeakPolarHBondContact O-CB 3.07Å; R1508-S1512 PolarHBondContact O-N 3.05Å; R1508-S1512 PolarHBondContact O-OG 3.16Å; L1509-S1512 WeakPolarHBondContact O-CB 3.49Å; L1509-S1512 PolarHBondContact O-N 2.86Å; V1510-S1512 VanDerWaalsContact C-N 3.32Å; V1510-S1512 PolarHBondContact O-N 3.1Å; S1512-L1516 PolarHBondContact O-N 3.1Å; S1512-D1629 PolarHBondContact OG-N 3.11Å
1513A92.2Very high88.3Confident0 Ų010.9 Ų10.90%06%0.057CC..Hα-helixtrans-68.1-35.7174.100000112.4F1445 V1467 L1472 L1509 V1510 L1511 L1516 Q1517 W1636F1445-A1513 HydrophobicContact CD1-CB 4.36Å; F1445-A1513 HydrophobicContact CE1-CB 3.94Å; V1467-A1513 HydrophobicContact CB-CB 4.08Å; V1467-A1513 HydrophobicContact CG1-CB 4.15Å; L1472-A1513 HydrophobicContact CD1-CB 3.93Å; L1472-A1513 HydrophobicContact CD2-CB 3.84Å; L1509-A1513 PolarHBondContact O-N 2.86Å; L1509-A1513 VanDerWaalsContact O-N 3.14Å; V1510-A1513 CarbonylContact O-C 3.56Å; V1510-A1513 WeakPolarHBondContact O-CB 3.46Å; V1510-A1513 PolarHBondContact O-N 3.46Å; V1510-A1513 VanDerWaalsContact O-N 3.16Å; L1511-A1513 VanDerWaalsContact C-N 3.28Å; L1511-A1513 PolarHBondContact O-N 3.34Å; A1513-L1516 PolarHBondContact O-N 3.5Å; A1513-Q1517 PolarHBondContact O-N 2.79Å; A1513-W1636 HydrophobicContact CB-CE3 4.45Å; A1513-W1636 HydrophobicContact CB-CH2 3.85Å; A1513-W1636 HydrophobicContact CB-CZ3 3.74Å
1514L91.8Very high86.9Confident6 Ų615.9 Ų15.93%0.0318%0.084CC..Hα-helixtrans-64.3-45.3177.7179.971.3000111.2L1472 V1510 L1511 L1516 Q1517 I1518 F1579 P1655L1472-L1514 HydrophobicContact CD1-CB 3.73Å; L1472-L1514 HydrophobicContact CD1-CD1 4.14Å; V1510-L1514 PolarHBondContact O-N 3.04Å; L1511-L1514 HydrophobicContact CD1-CD2 4Å; L1511-L1514 WeakPolarHBondContact O-CB 3.22Å; L1511-L1514 PolarHBondContact O-N 3.47Å; L1514-L1516 VanDerWaalsContact C-N 3.31Å; L1514-L1516 PolarHBondContact O-N 2.71Å; L1514-Q1517 WeakPolarHBondContact O-CB 3.08Å; L1514-Q1517 PolarHBondContact O-N 2.95Å; L1514-Q1517 VanDerWaalsContact O-N 3.15Å; L1514-I1518 HydrophobicContact CD1-CD1 4.35Å; L1514-I1518 HydrophobicContact CD1-CG1 4.45Å; L1514-I1518 HydrophobicContact CD2-CD1 4.37Å; L1514-I1518 HydrophobicContact CG-CD1 3.87Å; L1514-I1518 HydrophobicContact CG-CG1 4.39Å; L1514-I1518 VanDerWaalsContact O-CG1 3.29Å; L1514-I1518 WeakPolarHBondContact O-CG1 3.41Å; L1514-I1518 PolarHBondContact O-N 3.25Å; L1514-F1579 HydrophobicContact CD1-CD2 4.27Å; L1514-F1579 HydrophobicContact CD2-CB 3.59Å; L1514-F1579 HydrophobicContact CD2-CD1 3.67Å; L1514-F1579 HydrophobicContact CD2-CD2 3.94Å; L1514-F1579 HydrophobicContact CD2-CE1 4.33Å; L1514-F1579 HydrophobicContact CD2-CG 3.45Å; L1514-F1579 VanDerWaalsContact CD2-CG 3.45Å; L1514-P1655 HydrophobicContact CD1-CB 4.33Å
1515F91.9Very high85.2Confident1 Ų121.4 Ų21.40%0.00411%0.114CC..Hα-helixtrans-56.6-48.2174.2-88-95.6000110.3L1511 Q1517 I1518 F1519 L1546 L1572 V1576 L1621 L1624 L1628L1511-F1515 HydrophobicContact CD1-CD2 4.24Å; L1511-F1515 HydrophobicContact CD1-CE2 3.98Å; L1511-F1515 HydrophobicContact CD2-CE2 4.47Å; L1511-F1515 HydrophobicContact CG-CD2 4.11Å; L1511-F1515 HydrophobicContact CG-CE2 3.95Å; L1511-F1515 WeakPolarHBondContact O-CD2 3.4Å; L1511-F1515 PolarHBondContact O-N 3.16Å; F1515-Q1517 PolarHBondContact O-N 2.91Å; F1515-I1518 PolarHBondContact O-N 2.92Å; F1515-F1519 HydrophobicContact CD1-CE2 4.31Å; F1515-F1519 VanDerWaalsContact O-CD2 3.3Å; F1515-F1519 WeakPolarHBondContact O-CD2 3.44Å; F1515-F1519 PolarHBondContact O-N 3.25Å; F1515-F1519 VanDerWaalsContact O-N 3.11Å; F1515-L1546 HydrophobicContact CB-CD1 4.48Å; F1515-L1546 HydrophobicContact CD1-CD1 3.35Å; F1515-L1546 HydrophobicContact CE1-CD1 3.83Å; F1515-L1546 HydrophobicContact CG-CD1 4.2Å; F1515-L1572 HydrophobicContact CD1-CD1 4.02Å; F1515-L1572 HydrophobicContact CE1-CD1 4.01Å; F1515-L1572 HydrophobicContact CE1-CD2 4.39Å; F1515-V1576 HydrophobicContact CE1-CG2 4.45Å; F1515-V1576 HydrophobicContact CE2-CG2 3.98Å; F1515-V1576 HydrophobicContact CZ-CG2 3.93Å; F1515-L1621 HydrophobicContact CE1-CD1 4.24Å; F1515-L1621 HydrophobicContact CZ-CD1 3.82Å; F1515-L1624 HydrophobicContact CE2-CD2 4.1Å; F1515-L1624 HydrophobicContact CE2-CG 4.44Å; F1515-L1624 HydrophobicContact CZ-CD2 4.11Å; F1515-L1624 HydrophobicContact CZ-CG 4.48Å; F1515-L1628 HydrophobicContact CB-CD1 4.07Å; F1515-L1628 HydrophobicContact CD1-CD1 3.98Å; F1515-L1628 HydrophobicContact CD2-CD1 3.71Å; F1515-L1628 HydrophobicContact CD2-CD2 3.69Å; F1515-L1628 HydrophobicContact CD2-CG 4.35Å; F1515-L1628 HydrophobicContact CE1-CD1 4.31Å; F1515-L1628 HydrophobicContact CE2-CD1 4.09Å; F1515-L1628 HydrophobicContact CE2-CD2 3.83Å; F1515-L1628 HydrophobicContact CE2-CG 4.5Å; F1515-L1628 HydrophobicContact CG-CD1 3.65Å; F1515-L1628 HydrophobicContact CG-CD2 4.45Å; F1515-L1628 HydrophobicContact CZ-CD1 4.35Å
1516L90.5Very high83.2Confident1 Ų123 Ų231%0.00514%0.136CC..Hα-helixtrans-59-43.3175.4-178.461.3000112.4V1467 L1468 S1512 A1513 L1514 I1518 C1520 L1550 L1554 W1636V1467-L1516 HydrophobicContact CG2-CD2 3.96Å; L1468-L1516 HydrophobicContact CD2-CG 4.06Å; S1512-L1516 PolarHBondContact O-N 3.1Å; A1513-L1516 PolarHBondContact O-N 3.5Å; L1514-L1516 VanDerWaalsContact C-N 3.31Å; L1514-L1516 PolarHBondContact O-N 2.71Å; L1516-I1518 PolarHBondContact O-N 2.95Å; L1516-C1520 VanDerWaalsContact O-CB 3.32Å; L1516-C1520 WeakPolarHBondContact O-CB 3.33Å; L1516-C1520 PolarHBondContact O-N 3.04Å; L1516-C1520 VanDerWaalsContact O-N 3.13Å; L1516-C1520 PolarHBondContact O-SG 3.22Å; L1516-L1550 HydrophobicContact CD1-CD2 3.84Å; L1516-L1554 HydrophobicContact CD1-CD1 4.5Å; L1516-W1636 HydrophobicContact CD2-CB 3.86Å; L1516-W1636 HydrophobicContact CD2-CE3 4.08Å
1517Q88.8Confident81.2Confident15 Ų1524.9 Ų24.97%0.0715%0.149CC..Hα-helixtrans-58.9-45.3175.4-82-168.1-14.200112.9V1467 L1468 I1470 L1472 A1513 L1514 F1515 C1520 S1521V1467-Q1517 PolarHBondContact O-NE2 3.34Å; L1468-Q1517 HydrophobicContact CD2-CG 4.05Å; I1470-Q1517 PolarHBondContact O-NE2 3.46Å; L1472-Q1517 HydrophobicContact CD1-CG 3.97Å; A1513-Q1517 PolarHBondContact O-N 2.79Å; L1514-Q1517 WeakPolarHBondContact O-CB 3.08Å; L1514-Q1517 PolarHBondContact O-N 2.95Å; L1514-Q1517 VanDerWaalsContact O-N 3.15Å; F1515-Q1517 PolarHBondContact O-N 2.91Å; Q1517-C1520 CarbonylContact O-C 3.55Å; Q1517-C1520 PolarHBondContact O-N 3.27Å; Q1517-S1521 WeakPolarHBondContact O-CB 3.45Å; Q1517-S1521 PolarHBondContact O-N 3.38Å; Q1517-S1521 VanDerWaalsContact O-N 3.12Å
1518I87.5Confident79.2Confident0 Ų029 Ų290%018%0.176CC..Hα-helixtrans-61.6-51.4-179.3-66.5162.7000110.2L1514 F1515 L1516 C1520 S1521 M1562 L1572 A1575 V1576 P1655L1514-I1518 HydrophobicContact CD1-CD1 4.35Å; L1514-I1518 HydrophobicContact CD1-CG1 4.45Å; L1514-I1518 HydrophobicContact CD2-CD1 4.37Å; L1514-I1518 HydrophobicContact CG-CD1 3.87Å; L1514-I1518 HydrophobicContact CG-CG1 4.39Å; L1514-I1518 VanDerWaalsContact O-CG1 3.29Å; L1514-I1518 WeakPolarHBondContact O-CG1 3.41Å; L1514-I1518 PolarHBondContact O-N 3.25Å; F1515-I1518 PolarHBondContact O-N 2.92Å; L1516-I1518 PolarHBondContact O-N 2.95Å; I1518-C1520 PolarHBondContact O-N 2.84Å; I1518-S1521 PolarHBondContact O-N 3.47Å; I1518-S1521 PolarHBondContact O-OG 3.3Å; I1518-M1562 HydrophobicContact CG2-CG 4.41Å; I1518-M1562 HydrophobicContact CG2-SD 4.23Å; I1518-L1572 HydrophobicContact CB-CD1 4.28Å; I1518-L1572 HydrophobicContact CD1-CD1 3.91Å; I1518-L1572 HydrophobicContact CG2-CD1 3.75Å; I1518-A1575 HydrophobicContact CD1-CB 3.58Å; I1518-A1575 HydrophobicContact CG1-CB 3.94Å; I1518-V1576 HydrophobicContact CD1-CG2 3.87Å; I1518-P1655 HydrophobicContact CB-CG 4.37Å; I1518-P1655 HydrophobicContact CG1-CG 3.44Å; I1518-P1655 VanDerWaalsContact CG1-CG 3.44Å
1519F87.8Confident77Confident1 Ų131.1 Ų31.10%0.00421%0.205CC..Hα-helixtrans-62.4-29.1-179.5-84.7-91.2000113F1515 F1543 L1546 R1547 L1550 L1560 M1562 L1572F1515-F1519 HydrophobicContact CD1-CE2 4.31Å; F1515-F1519 VanDerWaalsContact O-CD2 3.3Å; F1515-F1519 WeakPolarHBondContact O-CD2 3.44Å; F1515-F1519 PolarHBondContact O-N 3.25Å; F1515-F1519 VanDerWaalsContact O-N 3.11Å; F1519-F1543 HydrophobicContact CD1-CE2 4.13Å; F1519-F1543 HydrophobicContact CD1-CZ 4.22Å; F1519-F1543 HydrophobicContact CE1-CD1 4.38Å; F1519-F1543 AromaticContact CE1-CD2 3.81Å; F1519-F1543 HydrophobicContact CE1-CD2 3.81Å; F1519-F1543 HydrophobicContact CE1-CE1 4.13Å; F1519-F1543 AromaticContact CE1-CE2 3.53Å; F1519-F1543 HydrophobicContact CE1-CE2 3.53Å; F1519-F1543 HydrophobicContact CE1-CG 4.22Å; F1519-F1543 AromaticContact CE1-CZ 3.69Å; F1519-F1543 HydrophobicContact CE1-CZ 3.69Å; F1519-F1543 AromaticContact CZ-CD2 3.78Å; F1519-F1543 HydrophobicContact CZ-CD2 3.78Å; F1519-F1543 AromaticContact CZ-CE2 3.95Å; F1519-F1543 HydrophobicContact CZ-CE2 3.95Å; F1519-F1543 HydrophobicContact CZ-CG 4.2Å; F1519-F1543 HydrophobicContact CZ-CZ 4.49Å; F1519-L1546 HydrophobicContact CE1-CB 4.44Å; F1519-L1546 HydrophobicContact CE2-CB 3.96Å; F1519-L1546 HydrophobicContact CE2-CD1 3.93Å; F1519-L1546 HydrophobicContact CZ-CB 3.72Å; F1519-L1546 HydrophobicContact CZ-CD1 4.39Å; F1519-R1547 HydrophobicContact CE1-CB 4.44Å; F1519-L1550 HydrophobicContact CB-CD1 3.83Å; F1519-L1550 HydrophobicContact CD1-CD1 3.93Å; F1519-L1550 HydrophobicContact CD2-CD1 3.78Å; F1519-L1550 HydrophobicContact CE1-CD1 4.4Å; F1519-L1550 HydrophobicContact CE2-CD1 4.29Å; F1519-L1550 HydrophobicContact CG-CD1 3.57Å; F1519-L1560 HydrophobicContact CD1-CD1 3.83Å; F1519-M1562 WeakPolarHBondContact O-CB 3.48Å; F1519-M1562 PolarHBondContact O-N 2.92Å; F1519-L1572 HydrophobicContact CE2-CD1 4.18Å; F1519-L1572 HydrophobicContact CE2-CD2 4.19Å; F1519-L1572 HydrophobicContact CZ-CD2 4.3Å
1520C85.9Confident74.9Confident1 Ų137.6 Ų37.61%0.00724%0.237CC..THydrogen-bonded Turntrans-88.91.4176.9-64.90000114L1468 L1516 Q1517 I1518 M1646 L1651L1468-C1520 HydrophobicContact CD1-CB 4.19Å; L1468-C1520 HydrophobicContact CD2-CB 3.85Å; L1516-C1520 VanDerWaalsContact O-CB 3.32Å; L1516-C1520 WeakPolarHBondContact O-CB 3.33Å; L1516-C1520 PolarHBondContact O-N 3.04Å; L1516-C1520 VanDerWaalsContact O-N 3.13Å; L1516-C1520 PolarHBondContact O-SG 3.22Å; Q1517-C1520 CarbonylContact O-C 3.55Å; Q1517-C1520 PolarHBondContact O-N 3.27Å; I1518-C1520 PolarHBondContact O-N 2.84Å; C1520-M1646 HydrophobicContact CB-CE 4.3Å; C1520-M1646 HydrophobicContact CB-SD 3.52Å; C1520-M1646 VanDerWaalsContact CB-SD 3.52Å; C1520-M1646 PolarHBondContact SG-SD 3.06Å; C1520-L1651 HydrophobicContact CB-CD2 4.43Å; C1520-L1651 VanDerWaalsContact O-CD1 3.24Å; C1520-L1651 WeakPolarHBondContact O-CD1 3.5Å; C1520-L1651 WeakPolarHBondContact O-CD2 3.31Å; C1520-L1651 WeakPolarHBondContact O-CG 3.43Å
1521S81.5Confident72.9Confident3 Ų339.4 Ų39.42%0.02125%0.247CC..  trans-95.8154.2-176.570.40000113.6Q1517 I1518 P1561Q1517-S1521 WeakPolarHBondContact O-CB 3.45Å; Q1517-S1521 PolarHBondContact O-N 3.38Å; Q1517-S1521 VanDerWaalsContact O-N 3.12Å; I1518-S1521 PolarHBondContact O-N 3.47Å; I1518-S1521 PolarHBondContact O-OG 3.3Å; S1521-P1561 WeakPolarHBondContact O-CB 3.42Å
1522S70.2Confident71.1Confident50 Ų5041.6 Ų41.635%0.3527%0.265SS..BIsolated β-bridgetrans-103.2139.2173.5640000112.1F1654S1522-F1654 PolarHBondContact O-N 3.4Å
1523T62.3Low69.4Low38 Ų3846 Ų4623%0.23330%0.301CS..  trans-110119.2177.157.20000111.5M1562 A1565 I1571 F1654T1523-M1562 HydrophobicContact CG2-CE 3.85Å; T1523-M1562 HydrophobicContact CG2-SD 4.27Å; T1523-A1565 VanDerWaalsContact OG1-CB 3.29Å; T1523-A1565 WeakPolarHBondContact OG1-CB 3.37Å; T1523-I1571 HydrophobicContact CG2-CD1 4.37Å; T1523-I1571 HydrophobicContact CG2-CG2 4.34Å; T1523-F1654 HydrophobicContact CG2-CB 4.21Å; T1523-F1654 HydrophobicContact CG2-CD2 3.8Å; T1523-F1654 HydrophobicContact CG2-CG 4.18Å
1524D58Low68.1Low108 Ų10849 Ų4958%0.57832%0.317SS*.SBendtrans-88.2-30.4168.7-75-25.6000111.6R1653D1524-R1653 IonicContact OD2-CZ 3.13Å; D1524-R1653 IonicContact OD2-NE 3.69Å; D1524-R1653 IonicContact OD2-NH2 2.7Å
1525D55.1Low66.7Low132 Ų13249.8 Ų49.871%0.70632%0.324SS*.SBendtrans-107.8126.3-174.7-63.6-45.6000110.5
1526G49.9Very low65.9Low54 Ų5451.5 Ų51.556%0.55734%0.342SS*.PPolyproline II helixtrans-69.2154.3171.500000111.7
1527P50.1Low65.3Low41 Ų4156.5 Ų56.527%0.26638%0.377SS..PPolyproline II helixtrans-60.3149179.424-32.5000111.7A1529 L1567 I1571P1527-A1529 PolarHBondContact O-N 3.43Å; P1527-L1567 HydrophobicContact CG-CB 4.33Å; P1527-L1567 HydrophobicContact CG-CD1 4.05Å; P1527-I1571 HydrophobicContact CG-CG1 4.19Å
1528P51.3Low64.7Low87 Ų8757.6 Ų57.657%0.56539%0.388SS*.PPolyproline II helixtrans-56.4136.2171.522.7-30.4000110.1M1530 D1531P1528-M1530 PolarHBondContact O-N 2.85Å; P1528-D1531 PolarHBondContact O-N 3.08Å
1529A48.4Very low64.6Low101 Ų10157.7 Ų57.784%0.83539%0.389SS*.THydrogen-bonded Turntrans-59.1-9.8-168.500000116.1P1527P1527-A1529 PolarHBondContact O-N 3.43Å
1530M48.8Very low64.5Low151 Ų15162 Ų6274%0.74441%0.409SS*.THydrogen-bonded Turntrans-79.4-29.2-177.3-90.1-170.470.700114.7P1528P1528-M1530 PolarHBondContact O-N 2.85Å
1531D51.7Low64.5Low38 Ų3864.6 Ų64.620%0.20343%0.427CS..G310 helixtrans-92.9-8.1-169.2-66.7-40.5000114.9P1528 A1533 L1534P1528-D1531 PolarHBondContact O-N 3.08Å; D1531-A1533 PolarHBondContact O-N 3.05Å; D1531-A1533 VanDerWaalsContact O-N 3.08Å; D1531-L1534 PolarHBondContact O-N 3.21Å
1532A54.5Low64.8Low46 Ų4664.4 Ų64.438%0.3843%0.426SS..G310 helixtrans-60.8-21.6177.500000113.3L1567A1532-L1567 HydrophobicContact CB-CD1 4.14Å
1533A59.8Low65.7Low92 Ų9262.1 Ų62.176%0.7641%0.41SS*.G310 helixtrans-80-17-179.200000114.5D1531D1531-A1533 PolarHBondContact O-N 3.05Å; D1531-A1533 VanDerWaalsContact O-N 3.08Å
1534L64.2Low67Low64 Ų6463.5 Ų63.534%0.33541%0.414SS..THydrogen-bonded Turntrans-95.4-16.8-174.6-66.5174.4000113.7D1531 R1573 D1606D1531-L1534 PolarHBondContact O-N 3.21Å; L1534-R1573 PolarHBondContact O-NH1 2.89Å; L1534-R1573 VanDerWaalsContact O-NH1 3.13Å; L1534-D1606 HydrophobicContact CD1-CB 4.31Å; L1534-D1606 HydrophobicContact CD2-CB 4.16Å
1535A63.4Low68.5Low21 Ų2162.7 Ų62.717%0.17440%0.403CS..  trans-81.5132.317800000111.4D1539 V1570A1535-D1539 VanDerWaalsContact CA-OD2 3.27Å; A1535-D1539 WeakPolarHBondContact CA-OD2 3.43Å; A1535-V1570 HydrophobicContact CB-CB 4.29Å; A1535-V1570 HydrophobicContact CB-CG1 4.4Å; A1535-V1570 HydrophobicContact CB-CG2 3.7Å
1536G75.1Confident70.2Confident38 Ų3856.5 Ų56.539%0.39237%0.369SS..  trans-116.7-177.9-174.100000114A1538 D1539G1536-A1538 PolarHBondContact O-N 2.64Å; G1536-A1538 VanDerWaalsContact O-N 3.16Å; G1536-D1539 PolarHBondContact N-OD2 3.07Å; G1536-D1539 WeakPolarHBondContact O-CB 3.41Å; G1536-D1539 PolarHBondContact O-N 3.03Å
1537S76.4Confident72.1Confident105 Ų10557 Ų5773%0.73435%0.354SS*.Hα-helixtrans-59.4-26.6178.958.40000114.1D1539 S1541S1537-D1539 VanDerWaalsContact C-N 3.31Å; S1537-D1539 PolarHBondContact O-N 3.05Å; S1537-S1541 WeakPolarHBondContact O-CB 3.29Å; S1537-S1541 PolarHBondContact O-N 3.28Å
1538A77.8Confident73.8Confident38 Ų3858 Ų5831%0.31436%0.36SS..Hα-helixtrans-64.8-34.1174.600000112.4G1536 S1541 A1542G1536-A1538 PolarHBondContact O-N 2.64Å; G1536-A1538 VanDerWaalsContact O-N 3.16Å; A1538-S1541 PolarHBondContact O-N 3.32Å; A1538-A1542 PolarHBondContact O-N 2.84Å
1539D84.6Confident75.6Confident3 Ų355.1 Ų55.12%0.01634%0.341CS..Hα-helixtrans-73.9-37.8-179.5-57-45.3000111.1A1535 G1536 S1537 A1542 F1543 H1569 R1573 L1621A1535-D1539 VanDerWaalsContact CA-OD2 3.27Å; A1535-D1539 WeakPolarHBondContact CA-OD2 3.43Å; G1536-D1539 PolarHBondContact N-OD2 3.07Å; G1536-D1539 WeakPolarHBondContact O-CB 3.41Å; G1536-D1539 PolarHBondContact O-N 3.03Å; S1537-D1539 VanDerWaalsContact C-N 3.31Å; S1537-D1539 PolarHBondContact O-N 3.05Å; D1539-A1542 PolarHBondContact O-N 2.86Å; D1539-F1543 PolarHBondContact O-N 3.18Å; D1539-F1543 VanDerWaalsContact O-N 3.08Å; D1539-H1569 HydrophobicContact CB-CB 4.31Å; D1539-R1573 IonicContact OD1-NH1 2.73Å; D1539-R1573 WeakPolarHBondContact OD2-CD 3.32Å; D1539-R1573 IonicContact OD2-CZ 3.53Å; D1539-R1573 IonicContact OD2-NE 3.74Å; D1539-R1573 IonicContact OD2-NH1 2.82Å; D1539-R1573 PolarHBondContact OD2-NH1 3.4Å; D1539-L1621 HydrophobicContact CB-CD2 4.04Å; D1539-L1621 VanDerWaalsContact OD1-CB 3.3Å; D1539-L1621 WeakPolarHBondContact OD1-CB 3.45Å
1540E85.4Confident77.6Confident91 Ų9150.4 Ų50.443%0.42530%0.302SS..Hα-helixtrans-66.2-41.6173.5-165.8168.1-149.600111.4A1542 F1543 E1544E1540-A1542 PolarHBondContact O-N 3.15Å; E1540-F1543 PolarHBondContact O-N 3.31Å; E1540-E1544 PolarHBondContact O-N 3.23Å
1541S87.1Confident79.5Confident55 Ų5544.5 Ų44.539%0.38528%0.276SS..Hα-helixtrans-59.7-44.3172.7179.60000112.2S1537 A1538 F1543 E1544 R1545S1537-S1541 WeakPolarHBondContact O-CB 3.29Å; S1537-S1541 PolarHBondContact O-N 3.28Å; A1538-S1541 PolarHBondContact O-N 3.32Å; S1541-F1543 VanDerWaalsContact C-N 3.31Å; S1541-F1543 PolarHBondContact O-N 3.13Å; S1541-E1544 PolarHBondContact O-N 3.25Å; S1541-R1545 WeakPolarHBondContact O-CB 3.34Å; S1541-R1545 VanDerWaalsContact O-CG 3.22Å; S1541-R1545 WeakPolarHBondContact O-CG 3.33Å; S1541-R1545 PolarHBondContact O-N 2.89Å
1542A87.1Confident81.2Confident0 Ų049 Ų490%030%0.296CS..Hα-helixtrans-59.5-42.6176.700000111.9A1538 D1539 E1540 L1546 L1621 V1625A1538-A1542 PolarHBondContact O-N 2.84Å; D1539-A1542 PolarHBondContact O-N 2.86Å; E1540-A1542 PolarHBondContact O-N 3.15Å; A1542-L1546 PolarHBondContact O-N 3.48Å; A1542-L1621 HydrophobicContact CB-CB 4.16Å; A1542-L1621 HydrophobicContact CB-CD2 4Å; A1542-L1621 HydrophobicContact CB-CG 3.76Å; A1542-V1625 HydrophobicContact CB-CG2 3.93Å
1543F89.7Confident83Confident1 Ų149.3 Ų49.30%0.00429%0.287CS..Hα-helixtrans-60.4-49.9176.5-170.6-84.5000111.4F1519 D1539 E1540 S1541 R1545 L1546 R1547 M1562 R1568 L1572F1519-F1543 HydrophobicContact CD1-CE2 4.13Å; F1519-F1543 HydrophobicContact CD1-CZ 4.22Å; F1519-F1543 HydrophobicContact CE1-CD1 4.38Å; F1519-F1543 AromaticContact CE1-CD2 3.81Å; F1519-F1543 HydrophobicContact CE1-CD2 3.81Å; F1519-F1543 HydrophobicContact CE1-CE1 4.13Å; F1519-F1543 AromaticContact CE1-CE2 3.53Å; F1519-F1543 HydrophobicContact CE1-CE2 3.53Å; F1519-F1543 HydrophobicContact CE1-CG 4.22Å; F1519-F1543 AromaticContact CE1-CZ 3.69Å; F1519-F1543 HydrophobicContact CE1-CZ 3.69Å; F1519-F1543 AromaticContact CZ-CD2 3.78Å; F1519-F1543 HydrophobicContact CZ-CD2 3.78Å; F1519-F1543 AromaticContact CZ-CE2 3.95Å; F1519-F1543 HydrophobicContact CZ-CE2 3.95Å; F1519-F1543 HydrophobicContact CZ-CG 4.2Å; F1519-F1543 HydrophobicContact CZ-CZ 4.49Å; D1539-F1543 PolarHBondContact O-N 3.18Å; D1539-F1543 VanDerWaalsContact O-N 3.08Å; E1540-F1543 PolarHBondContact O-N 3.31Å; S1541-F1543 VanDerWaalsContact C-N 3.31Å; S1541-F1543 PolarHBondContact O-N 3.13Å; F1543-R1545 PolarHBondContact O-N 2.82Å; F1543-L1546 PolarHBondContact O-N 3.06Å; F1543-R1547 HydrophobicContact CD1-CB 4.45Å; F1543-R1547 HydrophobicContact CE1-CB 4.31Å; F1543-R1547 HydrophobicContact CE1-CG 4.19Å; F1543-R1547 WeakPolarHBondContact O-CB 3.45Å; F1543-R1547 PolarHBondContact O-N 3.04Å; F1543-M1562 HydrophobicContact CE2-CG 4.06Å; F1543-R1568 HydrophobicContact CD1-CG 4.29Å; F1543-R1568 HydrophobicContact CD2-CB 4.43Å; F1543-R1568 HydrophobicContact CD2-CG 4.1Å; F1543-R1568 VanDerWaalsContact CE1-CD 3.43Å; F1543-R1568 HydrophobicContact CE1-CG 4.05Å; F1543-R1568 HydrophobicContact CE2-CB 3.9Å; F1543-R1568 HydrophobicContact CE2-CG 3.84Å; F1543-R1568 HydrophobicContact CG-CG 4.33Å; F1543-R1568 HydrophobicContact CZ-CB 4.13Å; F1543-R1568 VanDerWaalsContact CZ-CD 3.44Å; F1543-R1568 HydrophobicContact CZ-CG 3.83Å; F1543-L1572 HydrophobicContact CB-CD2 4.29Å; F1543-L1572 HydrophobicContact CD2-CD2 4.02Å
1544E88.3Confident84.4Confident67 Ų6745.1 Ų45.131%0.31325%0.251SS..Hα-helixtrans-66.3-35-178.2-68.7-55141.400113.5E1540 S1541 L1546 R1547 R1568E1540-E1544 PolarHBondContact O-N 3.23Å; S1541-E1544 PolarHBondContact O-N 3.25Å; E1544-L1546 VanDerWaalsContact C-N 3.26Å; E1544-L1546 PolarHBondContact O-N 3.49Å; E1544-R1547 PolarHBondContact O-N 2.76Å; E1544-R1547 IonicContact OE1-NE 3.92Å; E1544-R1547 IonicContact OE2-CZ 3.87Å; E1544-R1547 IonicContact OE2-NE 2.63Å; E1544-R1547 PolarHBondContact OE2-NE 3.23Å; E1544-R1547 IonicContact OE2-NH2 3.82Å; E1544-R1568 IonicContact OE1-NH2 3.11Å; E1544-R1568 PolarHBondContact OE1-NH2 3.39Å; E1544-R1568 VanDerWaalsContact OE1-NH2 3.07Å
1545R90.2Very high85.3Confident92 Ų9248.7 Ų48.735%0.34726%0.264SS..Hα-helixtrans-61-33.1177.2-75.2174.467.8179.93.9113S1541 F1543 P1549 S1622 V1625 D1626S1541-R1545 WeakPolarHBondContact O-CB 3.34Å; S1541-R1545 VanDerWaalsContact O-CG 3.22Å; S1541-R1545 WeakPolarHBondContact O-CG 3.33Å; S1541-R1545 PolarHBondContact O-N 2.89Å; F1543-R1545 PolarHBondContact O-N 2.82Å; R1545-P1549 VanDerWaalsContact O-CD 3.24Å; R1545-P1549 WeakPolarHBondContact O-CD 3.46Å; R1545-P1549 WeakPolarHBondContact O-CG 3.26Å; R1545-S1622 PolarHBondContact NH1-O 3.5Å; R1545-S1622 PolarHBondContact NH1-OG 3.42Å; R1545-V1625 HydrophobicContact CB-CG1 4.46Å; R1545-D1626 IonicContact CZ-OD1 3.57Å; R1545-D1626 IonicContact CZ-OD2 2.78Å; R1545-D1626 IonicContact NH1-OD1 2.94Å; R1545-D1626 IonicContact NH1-OD2 3.67Å; R1545-D1626 PolarHBondContact NH1-OD2 3.38Å; R1545-D1626 IonicContact NH2-OD1 3.71Å; R1545-D1626 PolarHBondContact NH2-OD1 3.32Å; R1545-D1626 IonicContact NH2-OD2 3.99Å; R1545-D1626 PolarHBondContact NH2-OD2 3.29Å
1546L90.5Very high86.1Confident1 Ų149.4 Ų49.41%0.00527%0.265CS..Hα-helixtrans-95.7-29.4-179.8-73175.8000113.4F1515 F1519 A1542 F1543 E1544 T1548 P1549 L1550 V1625 L1628 M1630F1515-L1546 HydrophobicContact CB-CD1 4.48Å; F1515-L1546 HydrophobicContact CD1-CD1 3.35Å; F1515-L1546 HydrophobicContact CE1-CD1 3.83Å; F1515-L1546 HydrophobicContact CG-CD1 4.2Å; F1519-L1546 HydrophobicContact CE1-CB 4.44Å; F1519-L1546 HydrophobicContact CE2-CB 3.96Å; F1519-L1546 HydrophobicContact CE2-CD1 3.93Å; F1519-L1546 HydrophobicContact CZ-CB 3.72Å; F1519-L1546 HydrophobicContact CZ-CD1 4.39Å; A1542-L1546 PolarHBondContact O-N 3.48Å; F1543-L1546 PolarHBondContact O-N 3.06Å; E1544-L1546 VanDerWaalsContact C-N 3.26Å; E1544-L1546 PolarHBondContact O-N 3.49Å; L1546-T1548 PolarHBondContact O-N 2.98Å; L1546-P1549 WeakPolarHBondContact O-CD 3.47Å; L1546-L1550 HydrophobicContact CB-CD1 4.14Å; L1546-L1550 VanDerWaalsContact O-CB 3.28Å; L1546-L1550 WeakPolarHBondContact O-CB 3.5Å; L1546-L1550 WeakPolarHBondContact O-CD1 3.37Å; L1546-L1550 WeakPolarHBondContact O-CG 3.45Å; L1546-L1550 PolarHBondContact O-N 3.42Å; L1546-L1550 VanDerWaalsContact O-N 3.08Å; L1546-V1625 HydrophobicContact CD1-CG1 4.24Å; L1546-V1625 HydrophobicContact CD1-CG2 3.9Å; L1546-V1625 HydrophobicContact CD2-CG1 3.81Å; L1546-V1625 HydrophobicContact CG-CG1 3.81Å; L1546-V1625 HydrophobicContact CG-CG2 4.17Å; L1546-L1628 HydrophobicContact CD1-CD1 3.97Å; L1546-L1628 HydrophobicContact CD2-CD1 4.4Å; L1546-M1630 HydrophobicContact CD2-CE 3.68Å; L1546-M1630 HydrophobicContact CD2-SD 3.8Å
1547R89.9Confident86.2Confident65 Ų6555.3 Ų55.325%0.24529%0.288CS..Hα-helixtrans-52.5-51.7-179.7-171.4-172.874.575.112.6112.1F1519 F1543 E1544 S1551 L1560 E1563F1519-R1547 HydrophobicContact CE1-CB 4.44Å; F1543-R1547 HydrophobicContact CD1-CB 4.45Å; F1543-R1547 HydrophobicContact CE1-CB 4.31Å; F1543-R1547 HydrophobicContact CE1-CG 4.19Å; F1543-R1547 WeakPolarHBondContact O-CB 3.45Å; F1543-R1547 PolarHBondContact O-N 3.04Å; E1544-R1547 PolarHBondContact O-N 2.76Å; E1544-R1547 IonicContact OE1-NE 3.92Å; E1544-R1547 IonicContact OE2-CZ 3.87Å; E1544-R1547 IonicContact OE2-NE 2.63Å; E1544-R1547 PolarHBondContact OE2-NE 3.23Å; E1544-R1547 IonicContact OE2-NH2 3.82Å; R1547-S1551 PolarHBondContact O-N 3.12Å; R1547-S1551 VanDerWaalsContact O-N 3.13Å; R1547-S1551 PolarHBondContact O-OG 3.24Å; R1547-L1560 HydrophobicContact CG-CD1 4.48Å; R1547-E1563 WeakPolarHBondContact CD-OE1 3.46Å; R1547-E1563 IonicContact CZ-OE1 3.27Å; R1547-E1563 IonicContact NE-OE1 3.94Å; R1547-E1563 IonicContact NH1-OE1 3.72Å; R1547-E1563 PolarHBondContact NH1-OE1 3.34Å
1548T86.3Confident86.2Confident62 Ų6252.2 Ų52.238%0.3827%0.272SS..Hα-helixtrans-66.5-52.6-174.4-45.30000112.4L1546 L1550 S1551 E1552L1546-T1548 PolarHBondContact O-N 2.98Å; T1548-L1550 VanDerWaalsContact C-N 3.35Å; T1548-L1550 PolarHBondContact O-N 3.44Å; T1548-S1551 PolarHBondContact O-N 3.16Å; T1548-E1552 WeakPolarHBondContact O-CG 3.3Å; T1548-E1552 PolarHBondContact O-N 2.95Å
1549P89Confident86.4Confident27 Ų2754.8 Ų54.818%0.17529%0.286CS..Hα-helixtrans-60.6-39.2177.4-23.834.1000113.9R1545 L1546 E1552 W1553R1545-P1549 VanDerWaalsContact O-CD 3.24Å; R1545-P1549 WeakPolarHBondContact O-CD 3.46Å; R1545-P1549 WeakPolarHBondContact O-CG 3.26Å; L1546-P1549 WeakPolarHBondContact O-CD 3.47Å; P1549-E1552 PolarHBondContact O-N 2.69Å; P1549-W1553 HydrophobicContact CB-CD2 4.25Å; P1549-W1553 HydrophobicContact CB-CE3 4.23Å; P1549-W1553 HydrophobicContact CB-CH2 3.78Å; P1549-W1553 HydrophobicContact CB-CZ2 3.74Å; P1549-W1553 HydrophobicContact CB-CZ3 4.01Å; P1549-W1553 WeakPolarHBondContact O-CB 3.48Å; P1549-W1553 VanDerWaalsContact O-CD2 3.23Å; P1549-W1553 PolarHBondContact O-N 2.94Å
1550L90.9Very high86.3Confident2 Ų254.7 Ų54.71%0.0129%0.285CS..Hα-helixtrans-65.9-45.6-178.8-74.2174.6000112L1516 F1519 L1546 T1548 E1552 W1553 L1554 L1560 I1633L1516-L1550 HydrophobicContact CD1-CD2 3.84Å; F1519-L1550 HydrophobicContact CB-CD1 3.83Å; F1519-L1550 HydrophobicContact CD1-CD1 3.93Å; F1519-L1550 HydrophobicContact CD2-CD1 3.78Å; F1519-L1550 HydrophobicContact CE1-CD1 4.4Å; F1519-L1550 HydrophobicContact CE2-CD1 4.29Å; F1519-L1550 HydrophobicContact CG-CD1 3.57Å; L1546-L1550 HydrophobicContact CB-CD1 4.14Å; L1546-L1550 VanDerWaalsContact O-CB 3.28Å; L1546-L1550 WeakPolarHBondContact O-CB 3.5Å; L1546-L1550 WeakPolarHBondContact O-CD1 3.37Å; L1546-L1550 WeakPolarHBondContact O-CG 3.45Å; L1546-L1550 PolarHBondContact O-N 3.42Å; L1546-L1550 VanDerWaalsContact O-N 3.08Å; T1548-L1550 VanDerWaalsContact C-N 3.35Å; T1548-L1550 PolarHBondContact O-N 3.44Å; L1550-E1552 VanDerWaalsContact C-N 3.28Å; L1550-E1552 PolarHBondContact O-N 2.6Å; L1550-W1553 HydrophobicContact CD2-CE3 4.42Å; L1550-W1553 PolarHBondContact O-N 3.34Å; L1550-L1554 VanDerWaalsContact O-CB 3.29Å; L1550-L1554 WeakPolarHBondContact O-CB 3.34Å; L1550-L1554 WeakPolarHBondContact O-CG 3.33Å; L1550-L1554 PolarHBondContact O-N 3.44Å; L1550-L1560 HydrophobicContact CB-CD1 3.96Å; L1550-I1633 HydrophobicContact CD2-CG2 3.46Å; L1550-I1633 VanDerWaalsContact CD2-CG2 3.46Å
1551S87.5Confident86.1Confident27 Ų2751.9 Ų51.919%0.18928%0.275CS..Hα-helixtrans-59.2-41175.8-69.10000111.7R1547 T1548 K1555 L1556R1547-S1551 PolarHBondContact O-N 3.12Å; R1547-S1551 VanDerWaalsContact O-N 3.13Å; R1547-S1551 PolarHBondContact O-OG 3.24Å; T1548-S1551 PolarHBondContact O-N 3.16Å; S1551-K1555 PolarHBondContact O-N 2.98Å; S1551-L1556 PolarHBondContact O-N 2.87Å
1552E88.3Confident85.9Confident133 Ų13349.3 Ų49.362%0.62126%0.257SS*.Hα-helixtrans-65.7-47.8176-72.2178.9-177.200112.7T1548 P1549 L1550 K1555T1548-E1552 WeakPolarHBondContact O-CG 3.3Å; T1548-E1552 PolarHBondContact O-N 2.95Å; P1549-E1552 PolarHBondContact O-N 2.69Å; L1550-E1552 VanDerWaalsContact C-N 3.28Å; L1550-E1552 PolarHBondContact O-N 2.6Å; E1552-K1555 PolarHBondContact O-N 2.93Å
1553W91.3Very high85.7Confident51 Ų5151.8 Ų51.819%0.19327%0.268CS..Hα-helixtrans-71.2-34.4-175.6-61.8-19.7000113.3P1549 L1550 K1555 M1630 I1633 K1634 C1637 R1643P1549-W1553 HydrophobicContact CB-CD2 4.25Å; P1549-W1553 HydrophobicContact CB-CE3 4.23Å; P1549-W1553 HydrophobicContact CB-CH2 3.78Å; P1549-W1553 HydrophobicContact CB-CZ2 3.74Å; P1549-W1553 HydrophobicContact CB-CZ3 4.01Å; P1549-W1553 WeakPolarHBondContact O-CB 3.48Å; P1549-W1553 VanDerWaalsContact O-CD2 3.23Å; P1549-W1553 PolarHBondContact O-N 2.94Å; L1550-W1553 HydrophobicContact CD2-CE3 4.42Å; L1550-W1553 PolarHBondContact O-N 3.34Å; W1553-K1555 VanDerWaalsContact C-N 3.26Å; W1553-K1555 PolarHBondContact O-N 3.15Å; W1553-M1630 HydrophobicContact CH2-CB 4.23Å; W1553-M1630 HydrophobicContact CH2-CE 3.59Å; W1553-M1630 HydrophobicContact CH2-SD 4.46Å; W1553-M1630 HydrophobicContact CZ3-CE 4.01Å; W1553-I1633 HydrophobicContact CE3-CG2 4.06Å; W1553-I1633 HydrophobicContact CZ3-CB 4.3Å; W1553-I1633 HydrophobicContact CZ3-CG2 3.86Å; W1553-K1634 HydrophobicContact CD2-CB 3.77Å; W1553-K1634 HydrophobicContact CD2-CD 4.33Å; W1553-K1634 HydrophobicContact CD2-CG 3.79Å; W1553-K1634 HydrophobicContact CE3-CB 3.81Å; W1553-K1634 HydrophobicContact CE3-CG 4.35Å; W1553-K1634 HydrophobicContact CG-CB 4.32Å; W1553-K1634 HydrophobicContact CG-CG 3.9Å; W1553-K1634 HydrophobicContact CH2-CB 4.2Å; W1553-K1634 HydrophobicContact CZ2-CB 4.22Å; W1553-K1634 HydrophobicContact CZ2-CD 4.13Å; W1553-K1634 HydrophobicContact CZ2-CG 4.4Å; W1553-K1634 HydrophobicContact CZ3-CB 4.03Å; W1553-C1637 HydrophobicContact CB-CB 3.67Å; W1553-R1643 PolarHBondContact O-NH2 2.91Å
1554L88.7Confident85.2Confident4 Ų456.5 Ų56.52%0.02130%0.302CS..Hα-helixtrans-75.5-14.3175.6-70.7167.4000112.9L1516 L1550 L1556 L1560 C1637 V1642 M1646L1516-L1554 HydrophobicContact CD1-CD1 4.5Å; L1550-L1554 VanDerWaalsContact O-CB 3.29Å; L1550-L1554 WeakPolarHBondContact O-CB 3.34Å; L1550-L1554 WeakPolarHBondContact O-CG 3.33Å; L1550-L1554 PolarHBondContact O-N 3.44Å; L1554-L1556 VanDerWaalsContact C-N 3.3Å; L1554-L1556 HydrophobicContact CB-CD1 4.07Å; L1554-L1556 HydrophobicContact CB-CD2 4.35Å; L1554-L1556 HydrophobicContact CB-CG 3.76Å; L1554-L1556 HydrophobicContact CD1-CD1 4.08Å; L1554-L1556 PolarHBondContact O-N 3.35Å; L1554-L1560 HydrophobicContact CD1-CD2 3.8Å; L1554-C1637 HydrophobicContact CD2-CB 3.77Å; L1554-C1637 HydrophobicContact CG-CB 4.01Å; L1554-V1642 HydrophobicContact CD2-CG1 3.79Å; L1554-M1646 HydrophobicContact CD1-CE 4.34Å; L1554-M1646 HydrophobicContact CD2-CG 4.41Å
1555K84.5Confident84.7Confident139 Ų13953.7 Ų53.760%0.60429%0.29SS*.THydrogen-bonded Turntrans55.741.6-176-57.6-174.7174.8-1720112.9S1551 E1552 W1553S1551-K1555 PolarHBondContact O-N 2.98Å; E1552-K1555 PolarHBondContact O-N 2.93Å; W1553-K1555 VanDerWaalsContact C-N 3.26Å; W1553-K1555 PolarHBondContact O-N 3.15Å
1556L79.6Confident84.1Confident37 Ų3753.7 Ų53.719%0.19430%0.302CS..  trans-75.1138.7-179.9-62.9170.7000110.8S1551 L1554 G1558 L1560 M1646S1551-L1556 PolarHBondContact O-N 2.87Å; L1554-L1556 VanDerWaalsContact C-N 3.3Å; L1554-L1556 HydrophobicContact CB-CD1 4.07Å; L1554-L1556 HydrophobicContact CB-CD2 4.35Å; L1554-L1556 HydrophobicContact CB-CG 3.76Å; L1554-L1556 HydrophobicContact CD1-CD1 4.08Å; L1554-L1556 PolarHBondContact O-N 3.35Å; L1556-G1558 WeakPolarHBondContact CB-O 3.21Å; L1556-G1558 PolarHBondContact O-N 3.16Å; L1556-L1560 HydrophobicContact CD1-CD2 3.42Å; L1556-L1560 VanDerWaalsContact CD1-CD2 3.42Å; L1556-L1560 HydrophobicContact CD1-CG 4.11Å; L1556-M1646 HydrophobicContact CD1-CE 3.87Å; L1556-M1646 HydrophobicContact CD2-CB 4.09Å; L1556-M1646 HydrophobicContact CD2-CE 4.06Å
1557N76.1Confident83.6Confident162 Ų16257.5 Ų57.587%0.86632%0.321SS*.SBendtrans-800.4172-68.5-23.2000113.1
1558G78Confident83.2Confident40 Ų4057.3 Ų57.341%0.41232%0.321SS..SBendtrans-154.1-179.9-174.200000112.8L1556L1556-G1558 WeakPolarHBondContact CB-O 3.21Å; L1556-G1558 PolarHBondContact O-N 3.16Å
1559P81.1Confident83Confident92 Ų9256 Ų5660%0.59731%0.31SS*.  trans-63.8154.9-177.628-35.1000111.7E1563P1559-E1563 WeakPolarHBondContact CA-OE2 3.1Å; P1559-E1563 HydrophobicContact CB-CB 4.12Å; P1559-E1563 HydrophobicContact CB-CG 4.18Å; P1559-E1563 WeakPolarHBondContact CB-OE2 3.48Å
1560L83.2Confident82.8Confident1 Ų155 Ų551%0.00530%0.304CS..  trans-63146.1173.3-74.7161.2000109.6F1519 R1547 L1550 L1554 L1556 M1562 E1563 M1646F1519-L1560 HydrophobicContact CD1-CD1 3.83Å; R1547-L1560 HydrophobicContact CG-CD1 4.48Å; L1550-L1560 HydrophobicContact CB-CD1 3.96Å; L1554-L1560 HydrophobicContact CD1-CD2 3.8Å; L1556-L1560 HydrophobicContact CD1-CD2 3.42Å; L1556-L1560 VanDerWaalsContact CD1-CD2 3.42Å; L1556-L1560 HydrophobicContact CD1-CG 4.11Å; L1560-M1562 VanDerWaalsContact C-N 3.26Å; L1560-M1562 PolarHBondContact O-N 3.32Å; L1560-E1563 HydrophobicContact CB-CB 4.3Å; L1560-E1563 PolarHBondContact N-OE2 3.44Å; L1560-E1563 VanDerWaalsContact N-OE2 3.08Å; L1560-E1563 WeakPolarHBondContact O-CB 3.28Å; L1560-E1563 PolarHBondContact O-N 2.76Å; L1560-M1646 HydrophobicContact CD2-CE 4.29Å
1561P81.1Confident82.3Confident31 Ų3155.3 Ų55.320%0.20131%0.305CS..G310 helixtrans-48.8-46.4178-29.435.3000113.3S1521 E1563 S1564 M1646 L1651S1521-P1561 WeakPolarHBondContact O-CB 3.42Å; P1561-E1563 PolarHBondContact O-N 2.96Å; P1561-S1564 PolarHBondContact O-N 3.4Å; P1561-S1564 PolarHBondContact O-OG 3.5Å; P1561-M1646 HydrophobicContact CG-CE 3.95Å; P1561-L1651 HydrophobicContact CB-CD1 4.26Å; P1561-L1651 HydrophobicContact CG-CD1 3.56Å
1562M83.2Confident82.3Confident1 Ų154 Ų541%0.00530%0.296CS..G310 helixtrans-66.6-20.5178.7-165.568.4-100.800113.9I1518 F1519 T1523 F1543 L1560 S1564 A1565 R1568 I1571I1518-M1562 HydrophobicContact CG2-CG 4.41Å; I1518-M1562 HydrophobicContact CG2-SD 4.23Å; F1519-M1562 WeakPolarHBondContact O-CB 3.48Å; F1519-M1562 PolarHBondContact O-N 2.92Å; T1523-M1562 HydrophobicContact CG2-CE 3.85Å; T1523-M1562 HydrophobicContact CG2-SD 4.27Å; F1543-M1562 HydrophobicContact CE2-CG 4.06Å; L1560-M1562 VanDerWaalsContact C-N 3.26Å; L1560-M1562 PolarHBondContact O-N 3.32Å; M1562-S1564 PolarHBondContact O-N 3.28Å; M1562-A1565 HydrophobicContact CE-CB 3.15Å; M1562-A1565 PolarHBondContact O-N 3.23Å; M1562-R1568 HydrophobicContact CE-CB 4.23Å; M1562-R1568 WeakPolarHBondContact O-CB 3.48Å; M1562-I1571 HydrophobicContact CE-CB 4.12Å; M1562-I1571 HydrophobicContact CE-CD1 3.83Å; M1562-I1571 HydrophobicContact CE-CG2 3.65Å; M1562-I1571 HydrophobicContact SD-CG2 3.88Å
1563E82.2Confident82.3Confident52 Ų5249.1 Ų49.124%0.24327%0.272CS..G310 helixtrans-68.2-26.1178.4-166.9171.5-171.500111.9R1547 P1559 L1560 P1561R1547-E1563 WeakPolarHBondContact CD-OE1 3.46Å; R1547-E1563 IonicContact CZ-OE1 3.27Å; R1547-E1563 IonicContact NE-OE1 3.94Å; R1547-E1563 IonicContact NH1-OE1 3.72Å; R1547-E1563 PolarHBondContact NH1-OE1 3.34Å; P1559-E1563 WeakPolarHBondContact CA-OE2 3.1Å; P1559-E1563 HydrophobicContact CB-CB 4.12Å; P1559-E1563 HydrophobicContact CB-CG 4.18Å; P1559-E1563 WeakPolarHBondContact CB-OE2 3.48Å; L1560-E1563 HydrophobicContact CB-CB 4.3Å; L1560-E1563 PolarHBondContact N-OE2 3.44Å; L1560-E1563 VanDerWaalsContact N-OE2 3.08Å; L1560-E1563 WeakPolarHBondContact O-CB 3.28Å; L1560-E1563 PolarHBondContact O-N 2.76Å; P1561-E1563 PolarHBondContact O-N 2.96Å
1564S79.4Confident82Confident101 Ų10148.2 Ų48.271%0.70627%0.27SS*.G310 helixtrans-81.1-10.3178.867.70000114.4P1561 M1562P1561-S1564 PolarHBondContact O-N 3.4Å; P1561-S1564 PolarHBondContact O-OG 3.5Å; M1562-S1564 PolarHBondContact O-N 3.28Å
1565A77.6Confident81.9Confident7 Ų748.2 Ų48.26%0.05827%0.27CS..SBendtrans-81.5139.3-177.200000112.8T1523 M1562 I1571T1523-A1565 VanDerWaalsContact OG1-CB 3.29Å; T1523-A1565 WeakPolarHBondContact OG1-CB 3.37Å; M1562-A1565 HydrophobicContact CE-CB 3.15Å; M1562-A1565 PolarHBondContact O-N 3.23Å; A1565-I1571 HydrophobicContact CB-CD1 4.03Å
1566P77.6Confident82.2Confident93 Ų9341.6 Ų41.660%0.60424%0.242SC*.THydrogen-bonded Turntrans-63.7141.3169.427.5-32.3000110.3R1568 I1571P1566-R1568 VanDerWaalsContact C-N 3.27Å; P1566-R1568 PolarHBondContact O-N 3.29Å; P1566-I1571 VanDerWaalsContact O-CD1 3.29Å; P1566-I1571 WeakPolarHBondContact O-CD1 3.27Å
1567L79.9Confident82.6Confident80 Ų8041.3 Ų41.342%0.41924%0.238SC..THydrogen-bonded Turntrans5832.5-180-57.8173.3000114.5P1527 A1532 H1569 V1570 I1571P1527-L1567 HydrophobicContact CG-CB 4.33Å; P1527-L1567 HydrophobicContact CG-CD1 4.05Å; A1532-L1567 HydrophobicContact CB-CD1 4.14Å; L1567-H1569 PolarHBondContact O-N 2.91Å; L1567-V1570 HydrophobicContact CB-CB 4.18Å; L1567-V1570 HydrophobicContact CB-CG2 3.86Å; L1567-V1570 HydrophobicContact CD2-CG2 4.31Å; L1567-V1570 WeakPolarHBondContact O-CA 3.42Å; L1567-V1570 VanDerWaalsContact O-CB 3.32Å; L1567-V1570 WeakPolarHBondContact O-CB 3.18Å; L1567-V1570 PolarHBondContact O-N 2.97Å; L1567-I1571 PolarHBondContact O-N 2.86Å; L1567-I1571 VanDerWaalsContact O-N 3.12Å
1568R81.9Confident83.2Confident61 Ų6134 Ų3423%0.2320%0.198CC..Hα-helixtrans-46.5-35.7-177.967.4-166.1-172.3-85-4.3116.3F1543 E1544 M1562 P1566 L1572F1543-R1568 HydrophobicContact CD1-CG 4.29Å; F1543-R1568 HydrophobicContact CD2-CB 4.43Å; F1543-R1568 HydrophobicContact CD2-CG 4.1Å; F1543-R1568 VanDerWaalsContact CE1-CD 3.43Å; F1543-R1568 HydrophobicContact CE1-CG 4.05Å; F1543-R1568 HydrophobicContact CE2-CB 3.9Å; F1543-R1568 HydrophobicContact CE2-CG 3.84Å; F1543-R1568 HydrophobicContact CG-CG 4.33Å; F1543-R1568 HydrophobicContact CZ-CB 4.13Å; F1543-R1568 VanDerWaalsContact CZ-CD 3.44Å; F1543-R1568 HydrophobicContact CZ-CG 3.83Å; E1544-R1568 IonicContact OE1-NH2 3.11Å; E1544-R1568 PolarHBondContact OE1-NH2 3.39Å; E1544-R1568 VanDerWaalsContact OE1-NH2 3.07Å; M1562-R1568 HydrophobicContact CE-CB 4.23Å; M1562-R1568 WeakPolarHBondContact O-CB 3.48Å; P1566-R1568 VanDerWaalsContact C-N 3.27Å; P1566-R1568 PolarHBondContact O-N 3.29Å; R1568-L1572 WeakPolarHBondContact O-CB 3.45Å; R1568-L1572 PolarHBondContact O-N 2.8Å
1569H82.8Confident83.9Confident35 Ų3532.5 Ų32.516%0.16218%0.181CC..Hα-helixtrans-73.3-33.8177.757.7-96.1000112.6D1539 L1567 R1573D1539-H1569 HydrophobicContact CB-CB 4.31Å; L1567-H1569 PolarHBondContact O-N 2.91Å; H1569-R1573 WeakPolarHBondContact O-CB 3.38Å; H1569-R1573 PolarHBondContact O-N 3.49Å
1570V83.2Confident84.5Confident6 Ų628.1 Ų28.14%0.03615%0.152CC..Hα-helixtrans-65.9-44.9173-171.50000109.6A1535 L1567 L1572 R1573 E1574A1535-V1570 HydrophobicContact CB-CB 4.29Å; A1535-V1570 HydrophobicContact CB-CG1 4.4Å; A1535-V1570 HydrophobicContact CB-CG2 3.7Å; L1567-V1570 HydrophobicContact CB-CB 4.18Å; L1567-V1570 HydrophobicContact CB-CG2 3.86Å; L1567-V1570 HydrophobicContact CD2-CG2 4.31Å; L1567-V1570 WeakPolarHBondContact O-CA 3.42Å; L1567-V1570 VanDerWaalsContact O-CB 3.32Å; L1567-V1570 WeakPolarHBondContact O-CB 3.18Å; L1567-V1570 PolarHBondContact O-N 2.97Å; V1570-L1572 PolarHBondContact O-N 2.88Å; V1570-R1573 PolarHBondContact O-N 2.8Å; V1570-E1574 WeakPolarHBondContact O-CB 3.36Å; V1570-E1574 PolarHBondContact O-N 2.77Å
1571I81.9Confident84.9Confident9 Ų928.7 Ų28.75%0.04615%0.154CC..Hα-helixtrans-60.5-46178.1-66.8176.1000110.7T1523 P1527 M1562 A1565 P1566 L1567 E1574 A1575 F1654T1523-I1571 HydrophobicContact CG2-CD1 4.37Å; T1523-I1571 HydrophobicContact CG2-CG2 4.34Å; P1527-I1571 HydrophobicContact CG-CG1 4.19Å; M1562-I1571 HydrophobicContact CE-CB 4.12Å; M1562-I1571 HydrophobicContact CE-CD1 3.83Å; M1562-I1571 HydrophobicContact CE-CG2 3.65Å; M1562-I1571 HydrophobicContact SD-CG2 3.88Å; A1565-I1571 HydrophobicContact CB-CD1 4.03Å; P1566-I1571 VanDerWaalsContact O-CD1 3.29Å; P1566-I1571 WeakPolarHBondContact O-CD1 3.27Å; L1567-I1571 PolarHBondContact O-N 2.86Å; L1567-I1571 VanDerWaalsContact O-N 3.12Å; I1571-E1574 PolarHBondContact O-N 3.14Å; I1571-A1575 WeakPolarHBondContact O-CB 3.48Å; I1571-A1575 PolarHBondContact O-N 3.03Å; I1571-F1654 HydrophobicContact CB-CE2 4.45Å; I1571-F1654 HydrophobicContact CG2-CD2 3.83Å; I1571-F1654 HydrophobicContact CG2-CE1 4.49Å; I1571-F1654 HydrophobicContact CG2-CE2 3.03Å; I1571-F1654 HydrophobicContact CG2-CZ 3.41Å; I1571-F1654 VanDerWaalsContact CG2-CZ 3.41Å
1572L86.8Confident85.4Confident0 Ų027.8 Ų27.80%015%0.148CC..Hα-helixtrans-58.6-48.8174.3175.564000111.4F1515 I1518 F1519 F1543 R1568 V1570 E1574 A1575 V1576 L1621F1515-L1572 HydrophobicContact CD1-CD1 4.02Å; F1515-L1572 HydrophobicContact CE1-CD1 4.01Å; F1515-L1572 HydrophobicContact CE1-CD2 4.39Å; I1518-L1572 HydrophobicContact CB-CD1 4.28Å; I1518-L1572 HydrophobicContact CD1-CD1 3.91Å; I1518-L1572 HydrophobicContact CG2-CD1 3.75Å; F1519-L1572 HydrophobicContact CE2-CD1 4.18Å; F1519-L1572 HydrophobicContact CE2-CD2 4.19Å; F1519-L1572 HydrophobicContact CZ-CD2 4.3Å; F1543-L1572 HydrophobicContact CB-CD2 4.29Å; F1543-L1572 HydrophobicContact CD2-CD2 4.02Å; R1568-L1572 WeakPolarHBondContact O-CB 3.45Å; R1568-L1572 PolarHBondContact O-N 2.8Å; V1570-L1572 PolarHBondContact O-N 2.88Å; L1572-E1574 PolarHBondContact O-N 2.99Å; L1572-A1575 PolarHBondContact O-N 3.47Å; L1572-V1576 HydrophobicContact CD1-CG2 4.27Å; L1572-V1576 WeakPolarHBondContact O-CG2 3.36Å; L1572-V1576 PolarHBondContact O-N 2.91Å; L1572-V1576 VanDerWaalsContact O-N 3.11Å; L1572-L1621 HydrophobicContact CD2-CD2 3.9Å; L1572-L1621 HydrophobicContact CG-CD2 3.99Å
1573R87.7Confident85.9Confident29 Ų2927.8 Ų27.811%0.10915%0.147CC..Hα-helixtrans-59.3-46.9179.3179.2172.7178152.9-4.8111.7L1534 D1539 H1569 V1570 V1576 R1577 D1606 L1621L1534-R1573 PolarHBondContact O-NH1 2.89Å; L1534-R1573 VanDerWaalsContact O-NH1 3.13Å; D1539-R1573 IonicContact OD1-NH1 2.73Å; D1539-R1573 WeakPolarHBondContact OD2-CD 3.32Å; D1539-R1573 IonicContact OD2-CZ 3.53Å; D1539-R1573 IonicContact OD2-NE 3.74Å; D1539-R1573 IonicContact OD2-NH1 2.82Å; D1539-R1573 PolarHBondContact OD2-NH1 3.4Å; H1569-R1573 WeakPolarHBondContact O-CB 3.38Å; H1569-R1573 PolarHBondContact O-N 3.49Å; V1570-R1573 PolarHBondContact O-N 2.8Å; R1573-V1576 PolarHBondContact O-N 3.36Å; R1573-R1577 VanDerWaalsContact O-CB 3.23Å; R1573-R1577 WeakPolarHBondContact O-CB 3.49Å; R1573-R1577 PolarHBondContact O-N 3.22Å; R1573-D1606 IonicContact CZ-OD1 3.49Å; R1573-D1606 IonicContact CZ-OD2 3.94Å; R1573-D1606 IonicContact NH2-OD1 2.99Å; R1573-D1606 PolarHBondContact NH2-OD1 2.77Å; R1573-D1606 IonicContact NH2-OD2 2.81Å; R1573-D1606 PolarHBondContact NH2-OD2 3.08Å; R1573-L1621 HydrophobicContact CB-CD2 4.23Å
1574E85Confident86.4Confident33 Ų3325.3 Ų25.315%0.15414%0.136CC..Hα-helixtrans-68.4-39.7-177-170.653-142.400112.1V1570 I1571 L1572 V1576 R1577 K1578 I1656V1570-E1574 WeakPolarHBondContact O-CB 3.36Å; V1570-E1574 PolarHBondContact O-N 2.77Å; I1571-E1574 PolarHBondContact O-N 3.14Å; L1572-E1574 PolarHBondContact O-N 2.99Å; E1574-V1576 PolarHBondContact O-N 3.38Å; E1574-R1577 PolarHBondContact O-N 3.31Å; E1574-R1577 IonicContact OE1-NH1 3.07Å; E1574-R1577 PolarHBondContact OE1-NH1 3.2Å; E1574-R1577 WeakPolarHBondContact OE2-CD 3.46Å; E1574-R1577 IonicContact OE2-CZ 2.73Å; E1574-R1577 IonicContact OE2-NH1 3.98Å; E1574-R1577 PolarHBondContact OE2-NH1 2.97Å; E1574-K1578 WeakPolarHBondContact O-CB 3.4Å; E1574-K1578 PolarHBondContact O-N 3.45Å; E1574-I1656 HydrophobicContact CG-CD1 4.25Å
1575A86Confident86.9Confident3 Ų320.5 Ų20.53%0.02510%0.102CC..Hα-helixtrans-57.9-46.9173.100000112.7I1518 I1571 L1572 F1579 F1654 P1655 I1656I1518-A1575 HydrophobicContact CD1-CB 3.58Å; I1518-A1575 HydrophobicContact CG1-CB 3.94Å; I1571-A1575 WeakPolarHBondContact O-CB 3.48Å; I1571-A1575 PolarHBondContact O-N 3.03Å; L1572-A1575 PolarHBondContact O-N 3.47Å; A1575-F1579 WeakPolarHBondContact O-CB 3.25Å; A1575-F1579 PolarHBondContact O-N 2.95Å; A1575-F1579 VanDerWaalsContact O-N 3.15Å; A1575-F1654 HydrophobicContact CB-CE2 4.07Å; A1575-F1654 HydrophobicContact CB-CZ 3.72Å; A1575-P1655 HydrophobicContact CB-CG 4.5Å; A1575-I1656 VanDerWaalsContact CA-CD1 3.4Å; A1575-I1656 HydrophobicContact CB-CD1 4.13Å; A1575-I1656 HydrophobicContact CB-CG1 4.32Å
1576V91Very high87.5Confident0 Ų020.1 Ų20.10%010%0.1CC..Hα-helixtrans-67.8-45.3178176.90000110.2L1511 F1515 I1518 L1572 R1573 E1574 K1578 F1579 L1580 F1608 L1621 L1624L1511-V1576 HydrophobicContact CD1-CG1 4.3Å; F1515-V1576 HydrophobicContact CE1-CG2 4.45Å; F1515-V1576 HydrophobicContact CE2-CG2 3.98Å; F1515-V1576 HydrophobicContact CZ-CG2 3.93Å; I1518-V1576 HydrophobicContact CD1-CG2 3.87Å; L1572-V1576 HydrophobicContact CD1-CG2 4.27Å; L1572-V1576 WeakPolarHBondContact O-CG2 3.36Å; L1572-V1576 PolarHBondContact O-N 2.91Å; L1572-V1576 VanDerWaalsContact O-N 3.11Å; R1573-V1576 PolarHBondContact O-N 3.36Å; E1574-V1576 PolarHBondContact O-N 3.38Å; V1576-K1578 PolarHBondContact O-N 3.21Å; V1576-F1579 PolarHBondContact O-N 3.15Å; V1576-L1580 HydrophobicContact CG1-CD1 3.79Å; V1576-L1580 HydrophobicContact CG1-CG 4.15Å; V1576-L1580 WeakPolarHBondContact O-CB 3.3Å; V1576-L1580 VanDerWaalsContact O-CG 3.26Å; V1576-L1580 WeakPolarHBondContact O-CG 3.44Å; V1576-L1580 PolarHBondContact O-N 3.41Å; V1576-F1608 HydrophobicContact CB-CE2 4.45Å; V1576-F1608 HydrophobicContact CG1-CE2 4.02Å; V1576-F1608 HydrophobicContact CG1-CZ 4.43Å; V1576-L1621 HydrophobicContact CB-CD1 4.31Å; V1576-L1621 HydrophobicContact CG1-CD1 4.3Å; V1576-L1621 HydrophobicContact CG2-CD1 4.21Å; V1576-L1624 HydrophobicContact CG1-CD2 3.74Å
1577R89.3Confident88Confident31 Ų3115.8 Ų15.812%0.1177%0.071CC..Hα-helixtrans-54.5-52.7177.9-177.6-179165.4-135.13.3111.4R1573 E1574 F1579 L1580 R1581 D1607 F1608R1573-R1577 VanDerWaalsContact O-CB 3.23Å; R1573-R1577 WeakPolarHBondContact O-CB 3.49Å; R1573-R1577 PolarHBondContact O-N 3.22Å; E1574-R1577 PolarHBondContact O-N 3.31Å; E1574-R1577 IonicContact OE1-NH1 3.07Å; E1574-R1577 PolarHBondContact OE1-NH1 3.2Å; E1574-R1577 WeakPolarHBondContact OE2-CD 3.46Å; E1574-R1577 IonicContact OE2-CZ 2.73Å; E1574-R1577 IonicContact OE2-NH1 3.98Å; E1574-R1577 PolarHBondContact OE2-NH1 2.97Å; R1577-F1579 PolarHBondContact O-N 3Å; R1577-L1580 PolarHBondContact O-N 2.9Å; R1577-R1581 HydrophobicContact CG-CG 4.45Å; R1577-R1581 VanDerWaalsContact O-CG 3.29Å; R1577-R1581 WeakPolarHBondContact O-CG 3.26Å; R1577-R1581 PolarHBondContact O-N 2.79Å; R1577-D1607 IonicContact CZ-OD1 2.85Å; R1577-D1607 VanDerWaalsContact CZ-OD1 3.23Å; R1577-D1607 IonicContact NE-OD1 2.88Å; R1577-D1607 PolarHBondContact NE-OD1 3.19Å; R1577-D1607 IonicContact NH2-OD1 2.57Å; R1577-D1607 PolarHBondContact NH2-OD1 3.27Å; R1577-F1608 HydrophobicContact CB-CD2 3.68Å; R1577-F1608 HydrophobicContact CB-CE2 4.3Å; R1577-F1608 HydrophobicContact CG-CB 4.34Å; R1577-F1608 HydrophobicContact CG-CD2 4.02Å
1578K88.8Confident88.2Confident8 Ų812.2 Ų12.24%0.0355%0.052CC..Hα-helixtrans-63.9-40.4-178.5-172.5153.9176.9144.10112.5E1396 S1397 E1400 E1574 V1576 R1581 M1582 I1656E1396-K1578 WeakPolarHBondContact OE2-CE 3.46Å; E1396-K1578 IonicContact OE2-NZ 2.84Å; E1396-K1578 PolarHBondContact OE2-NZ 3.23Å; S1397-K1578 PolarHBondContact OG-NZ 3.15Å; E1400-K1578 IonicContact OE2-NZ 3.98Å; E1400-K1578 PolarHBondContact OE2-NZ 3.03Å; E1574-K1578 WeakPolarHBondContact O-CB 3.4Å; E1574-K1578 PolarHBondContact O-N 3.45Å; V1576-K1578 PolarHBondContact O-N 3.21Å; K1578-R1581 PolarHBondContact O-N 2.63Å; K1578-M1582 WeakPolarHBondContact O-CG 3.46Å; K1578-M1582 PolarHBondContact O-N 2.57Å; K1578-M1582 VanDerWaalsContact O-N 3.14Å; K1578-I1656 HydrophobicContact CB-CD1 4.09Å; K1578-I1656 HydrophobicContact CB-CG1 4.38Å; K1578-I1656 HydrophobicContact CD-CD1 4.11Å; K1578-I1656 HydrophobicContact CD-CG1 4.23Å; K1578-I1656 HydrophobicContact CD-CG2 3.59Å
1579F92.2Very high88Confident9 Ų99.3 Ų9.34%0.0394%0.041CC..Hα-helixtrans-59.2-48.3172-178.9-91.8000111.9L1472 F1473 L1507 V1510 L1511 L1514 A1575 V1576 R1577 R1581 M1582 V1583L1472-F1579 HydrophobicContact CB-CE2 4.26Å; F1473-F1579 HydrophobicContact CB-CD2 4.25Å; F1473-F1579 HydrophobicContact CB-CE2 3.88Å; F1473-F1579 HydrophobicContact CD2-CE2 4.32Å; L1507-F1579 HydrophobicContact CD1-CE1 3.96Å; V1510-F1579 HydrophobicContact CG1-CE2 4.34Å; V1510-F1579 HydrophobicContact CG1-CZ 3.7Å; L1511-F1579 HydrophobicContact CD1-CD1 4.46Å; L1514-F1579 HydrophobicContact CD1-CD2 4.27Å; L1514-F1579 HydrophobicContact CD2-CB 3.59Å; L1514-F1579 HydrophobicContact CD2-CD1 3.67Å; L1514-F1579 HydrophobicContact CD2-CD2 3.94Å; L1514-F1579 HydrophobicContact CD2-CE1 4.33Å; L1514-F1579 HydrophobicContact CD2-CG 3.45Å; L1514-F1579 VanDerWaalsContact CD2-CG 3.45Å; A1575-F1579 WeakPolarHBondContact O-CB 3.25Å; A1575-F1579 PolarHBondContact O-N 2.95Å; A1575-F1579 VanDerWaalsContact O-N 3.15Å; V1576-F1579 PolarHBondContact O-N 3.15Å; R1577-F1579 PolarHBondContact O-N 3Å; F1579-R1581 PolarHBondContact O-N 3.33Å; F1579-M1582 HydrophobicContact CD2-CE 4.45Å; F1579-M1582 PolarHBondContact O-N 2.85Å; F1579-V1583 HydrophobicContact CD1-CG2 4Å; F1579-V1583 HydrophobicContact CE1-CG2 3.61Å; F1579-V1583 HydrophobicContact CZ-CG2 4Å; F1579-V1583 WeakPolarHBondContact O-CG2 3.49Å; F1579-V1583 PolarHBondContact O-N 3.26Å
1580L94.1Very high87.8Confident0 Ų08.1 Ų8.10%04%0.036CC..Hα-helixtrans-66.8-34179.8-66.9179.7000112.6L1511 V1576 R1577 V1583 A1584 F1608 V1611 L1615 L1617 L1624L1511-L1580 HydrophobicContact CD1-CD2 4.41Å; V1576-L1580 HydrophobicContact CG1-CD1 3.79Å; V1576-L1580 HydrophobicContact CG1-CG 4.15Å; V1576-L1580 WeakPolarHBondContact O-CB 3.3Å; V1576-L1580 VanDerWaalsContact O-CG 3.26Å; V1576-L1580 WeakPolarHBondContact O-CG 3.44Å; V1576-L1580 PolarHBondContact O-N 3.41Å; R1577-L1580 PolarHBondContact O-N 2.9Å; L1580-V1583 PolarHBondContact O-N 2.86Å; L1580-A1584 WeakPolarHBondContact O-CB 3.37Å; L1580-A1584 PolarHBondContact O-N 3.3Å; L1580-F1608 HydrophobicContact CD1-CE2 4.27Å; L1580-V1611 HydrophobicContact CB-CG1 3.83Å; L1580-L1615 HydrophobicContact CB-CD1 4.06Å; L1580-L1615 HydrophobicContact CD2-CD1 3.88Å; L1580-L1617 HydrophobicContact CD1-CD1 4.12Å; L1580-L1617 HydrophobicContact CD2-CD1 3.6Å; L1580-L1624 HydrophobicContact CD1-CD2 4.47Å
1581R91.7Very high87.4Confident13 Ų137.9 Ų7.95%0.0494%0.035CC..Hα-helixtrans-60.1-45.8172.3-74.5172.354.293-3.1111.5E1396 L1406 R1577 K1578 F1579 A1584 L1585 D1607 V1611E1396-R1581 HydrophobicContact CG-CB 3.98Å; E1396-R1581 IonicContact OE1-CZ 3.78Å; E1396-R1581 IonicContact OE1-NE 2.8Å; E1396-R1581 PolarHBondContact OE1-NE 2.93Å; E1396-R1581 IonicContact OE1-NH2 3.96Å; E1396-R1581 PolarHBondContact OE1-NH2 3.4Å; L1406-R1581 HydrophobicContact CD1-CB 3.83Å; L1406-R1581 HydrophobicContact CD1-CG 4.13Å; L1406-R1581 HydrophobicContact CD2-CB 4.17Å; L1406-R1581 HydrophobicContact CD2-CG 3.98Å; R1577-R1581 HydrophobicContact CG-CG 4.45Å; R1577-R1581 VanDerWaalsContact O-CG 3.29Å; R1577-R1581 WeakPolarHBondContact O-CG 3.26Å; R1577-R1581 PolarHBondContact O-N 2.79Å; K1578-R1581 PolarHBondContact O-N 2.63Å; F1579-R1581 PolarHBondContact O-N 3.33Å; R1581-A1584 PolarHBondContact O-N 3.33Å; R1581-L1585 WeakPolarHBondContact O-CG 3.4Å; R1581-L1585 PolarHBondContact O-N 3.48Å; R1581-D1607 IonicContact CZ-OD2 2.93Å; R1581-D1607 IonicContact NH1-OD1 3.34Å; R1581-D1607 IonicContact NH1-OD2 2.93Å; R1581-D1607 PolarHBondContact NH1-OD2 3.05Å; R1581-V1611 HydrophobicContact CG-CG2 4.28Å
1582M91.9Very high87Confident13 Ų137.6 Ų7.66%0.0643%0.033CC..Hα-helixtrans-62.6-41.5173.8-66.3-175.1-70.700112I1392 R1393 E1396 F1473 K1578 F1579 L1585 F1586I1392-M1582 HydrophobicContact CG2-CB 4.36Å; R1393-M1582 HydrophobicContact CB-SD 3.89Å; R1393-M1582 HydrophobicContact CG-SD 3.99Å; E1396-M1582 HydrophobicContact CB-CG 3.98Å; E1396-M1582 HydrophobicContact CG-CG 3.92Å; F1473-M1582 HydrophobicContact CB-CE 4.33Å; F1473-M1582 HydrophobicContact CD1-SD 4.12Å; F1473-M1582 HydrophobicContact CD2-CB 3.88Å; F1473-M1582 HydrophobicContact CD2-CE 4.48Å; F1473-M1582 HydrophobicContact CE1-CB 4.19Å; F1473-M1582 HydrophobicContact CE1-SD 4.37Å; F1473-M1582 HydrophobicContact CE2-CB 3.51Å; F1473-M1582 HydrophobicContact CG-CB 4.39Å; F1473-M1582 HydrophobicContact CG-CE 4.21Å; F1473-M1582 HydrophobicContact CG-SD 4.27Å; F1473-M1582 HydrophobicContact CZ-CB 3.69Å; K1578-M1582 WeakPolarHBondContact O-CG 3.46Å; K1578-M1582 PolarHBondContact O-N 2.57Å; K1578-M1582 VanDerWaalsContact O-N 3.14Å; F1579-M1582 HydrophobicContact CD2-CE 4.45Å; F1579-M1582 PolarHBondContact O-N 2.85Å; M1582-L1585 PolarHBondContact O-N 3.04Å; M1582-F1586 PolarHBondContact O-N 3.48Å
1583V93.5Very high86.5Confident0 Ų07.6 Ų7.60%03%0.033CC..Hα-helixtrans-63.2-41.3175.4172.80000111.1F1473 Y1476 L1507 F1579 L1580 F1586 Q1587 L1615F1473-V1583 HydrophobicContact CD2-CG2 4.16Å; F1473-V1583 HydrophobicContact CE2-CG2 4.13Å; Y1476-V1583 HydrophobicContact CD1-CG2 4.09Å; Y1476-V1583 HydrophobicContact CE1-CB 4.42Å; Y1476-V1583 HydrophobicContact CE1-CG1 3.77Å; Y1476-V1583 HydrophobicContact CE1-CG2 4.02Å; L1507-V1583 HydrophobicContact CD1-CG1 4.09Å; L1507-V1583 HydrophobicContact CD1-CG2 4.15Å; L1507-V1583 HydrophobicContact CD2-CG1 4.1Å; F1579-V1583 HydrophobicContact CD1-CG2 4Å; F1579-V1583 HydrophobicContact CE1-CG2 3.61Å; F1579-V1583 HydrophobicContact CZ-CG2 4Å; F1579-V1583 WeakPolarHBondContact O-CG2 3.49Å; F1579-V1583 PolarHBondContact O-N 3.26Å; L1580-V1583 PolarHBondContact O-N 2.86Å; V1583-F1586 PolarHBondContact O-N 3.41Å; V1583-Q1587 HydrophobicContact CG1-CG 4.08Å; V1583-Q1587 WeakPolarHBondContact O-CB 3.4Å; V1583-Q1587 VanDerWaalsContact O-CG 3.29Å; V1583-Q1587 WeakPolarHBondContact O-CG 3.44Å; V1583-Q1587 PolarHBondContact O-N 3.29Å; V1583-L1615 HydrophobicContact CB-CD1 4.14Å; V1583-L1615 HydrophobicContact CG1-CD1 3.86Å; V1583-L1615 HydrophobicContact CG1-CD2 3.86Å
1584A91.9Very high86Confident0 Ų07.3 Ų7.30%04%0.035CC..Hα-helixtrans-64.1-41.517800000112.4L1406 F1407 L1580 R1581 Q1587 Y1588 V1611 Y1614 L1615L1406-A1584 HydrophobicContact CD2-CB 4.14Å; F1407-A1584 HydrophobicContact CZ-CB 4.07Å; L1580-A1584 WeakPolarHBondContact O-CB 3.37Å; L1580-A1584 PolarHBondContact O-N 3.3Å; R1581-A1584 PolarHBondContact O-N 3.33Å; A1584-Q1587 PolarHBondContact O-N 3Å; A1584-Y1588 VanDerWaalsContact O-CB 3.26Å; A1584-Y1588 WeakPolarHBondContact O-CB 3.45Å; A1584-Y1588 PolarHBondContact O-N 3.49Å; A1584-V1611 HydrophobicContact CB-CG1 4.11Å; A1584-Y1614 HydrophobicContact CB-CD1 4.06Å; A1584-Y1614 HydrophobicContact CB-CE1 4.29Å; A1584-L1615 HydrophobicContact CB-CD1 4.39Å; A1584-L1615 HydrophobicContact CB-CD2 4.24Å; A1584-L1615 HydrophobicContact CB-CG 4.33Å
1585L89.5Confident85.8Confident0 Ų06.1 Ų6.10%03%0.03CC..Hα-helixtrans-62.7-43.5172.8-70.7172.2000111.7I1392 E1396 L1406 F1407 F1410 L1415 R1581 M1582 S1589I1392-L1585 HydrophobicContact CG2-CB 3.93Å; I1392-L1585 HydrophobicContact CG2-CD1 4.46Å; E1396-L1585 HydrophobicContact CB-CD1 3.87Å; E1396-L1585 HydrophobicContact CG-CD1 4.32Å; L1406-L1585 HydrophobicContact CD1-CD1 3.91Å; L1406-L1585 HydrophobicContact CD1-CD2 4.13Å; L1406-L1585 HydrophobicContact CD1-CG 3.85Å; L1406-L1585 HydrophobicContact CG-CD2 4.39Å; L1406-L1585 HydrophobicContact CG-CG 4.45Å; F1407-L1585 HydrophobicContact CD1-CD2 4.44Å; F1407-L1585 HydrophobicContact CE1-CD2 4.12Å; F1410-L1585 HydrophobicContact CE2-CD2 4.34Å; F1410-L1585 HydrophobicContact CZ-CD2 4.01Å; L1415-L1585 HydrophobicContact CD1-CD2 4.36Å; R1581-L1585 WeakPolarHBondContact O-CG 3.4Å; R1581-L1585 PolarHBondContact O-N 3.48Å; M1582-L1585 PolarHBondContact O-N 3.04Å; L1585-S1589 PolarHBondContact O-N 3Å; L1585-S1589 PolarHBondContact O-OG 3.13Å
1586F90.4Very high85.6Confident0 Ų06.9 Ų6.90%04%0.035CC..Hα-helixtrans-64.5-45.5176.1-179.6-125.6000112.4L1388 I1392 F1473 Y1476 V1477 T1480 F1481 M1582 V1583 S1589 L1590L1388-F1586 HydrophobicContact CD2-CE2 4.09Å; I1392-F1586 HydrophobicContact CD1-CB 3.78Å; I1392-F1586 HydrophobicContact CD1-CD2 3.56Å; I1392-F1586 HydrophobicContact CD1-CG 4.05Å; F1473-F1586 HydrophobicContact CZ-CB 4.35Å; Y1476-F1586 HydrophobicContact CD1-CD1 4.08Å; Y1476-F1586 HydrophobicContact CD1-CE1 4.26Å; Y1476-F1586 AromaticContact CE1-CD1 3.72Å; Y1476-F1586 HydrophobicContact CE1-CD1 3.72Å; Y1476-F1586 HydrophobicContact CE1-CE1 4.03Å; V1477-F1586 HydrophobicContact CB-CE1 4.39Å; V1477-F1586 HydrophobicContact CB-CE2 4.47Å; V1477-F1586 HydrophobicContact CB-CZ 4.14Å; V1477-F1586 HydrophobicContact CG1-CE2 3.9Å; V1477-F1586 HydrophobicContact CG1-CZ 3.87Å; V1477-F1586 HydrophobicContact CG2-CD1 4.09Å; V1477-F1586 HydrophobicContact CG2-CD2 4.21Å; V1477-F1586 HydrophobicContact CG2-CE1 4.04Å; V1477-F1586 HydrophobicContact CG2-CE2 4.16Å; V1477-F1586 HydrophobicContact CG2-CG 4.16Å; V1477-F1586 HydrophobicContact CG2-CZ 4.06Å; T1480-F1586 HydrophobicContact CG2-CE1 3.83Å; T1480-F1586 HydrophobicContact CG2-CZ 4.05Å; F1481-F1586 AromaticContact CE2-CE2 3.9Å; F1481-F1586 HydrophobicContact CE2-CE2 3.9Å; F1481-F1586 AromaticContact CE2-CZ 3.89Å; F1481-F1586 HydrophobicContact CE2-CZ 3.89Å; F1481-F1586 AromaticContact CZ-CE2 3.92Å; F1481-F1586 HydrophobicContact CZ-CE2 3.92Å; F1481-F1586 HydrophobicContact CZ-CZ 4.1Å; M1582-F1586 PolarHBondContact O-N 3.48Å; V1583-F1586 PolarHBondContact O-N 3.41Å; F1586-S1589 WeakPolarHBondContact CA-OG 3.49Å; F1586-S1589 PolarHBondContact O-N 3.48Å; F1586-S1589 PolarHBondContact O-OG 2.95Å; F1586-L1590 HydrophobicContact CD1-CD1 4.25Å; F1586-L1590 HydrophobicContact CD2-CD1 4.25Å; F1586-L1590 HydrophobicContact CD2-CG 4.34Å; F1586-L1590 HydrophobicContact CE1-CD1 3.7Å; F1586-L1590 HydrophobicContact CE2-CD1 3.68Å; F1586-L1590 HydrophobicContact CE2-CD2 4.3Å; F1586-L1590 HydrophobicContact CE2-CG 3.98Å; F1586-L1590 HydrophobicContact CZ-CD1 3.4Å; F1586-L1590 HydrophobicContact CZ-CG 4.22Å; F1586-L1590 PolarHBondContact O-N 3.04Å; F1586-L1590 VanDerWaalsContact O-N 3.15Å
1587Q87.6Confident85Confident1 Ų112.9 Ų12.91%0.0056%0.063CC..Hα-helixtrans-66.6-40178.8-69.6-54.3-47.300111.9Y1476 V1583 A1584 S1589 L1590 T1591 L1615Y1476-Q1587 PolarHBondContact OH-NE2 3.4Å; V1583-Q1587 HydrophobicContact CG1-CG 4.08Å; V1583-Q1587 WeakPolarHBondContact O-CB 3.4Å; V1583-Q1587 VanDerWaalsContact O-CG 3.29Å; V1583-Q1587 WeakPolarHBondContact O-CG 3.44Å; V1583-Q1587 PolarHBondContact O-N 3.29Å; A1584-Q1587 PolarHBondContact O-N 3Å; Q1587-S1589 VanDerWaalsContact C-N 3.3Å; Q1587-S1589 PolarHBondContact O-N 3.47Å; Q1587-L1590 PolarHBondContact O-N 2.96Å; Q1587-T1591 WeakPolarHBondContact O-CB 3.46Å; Q1587-T1591 WeakPolarHBondContact O-CG2 3.46Å; Q1587-T1591 PolarHBondContact O-N 3.34Å; Q1587-T1591 PolarHBondContact O-OG1 3.4Å; Q1587-L1615 HydrophobicContact CB-CD2 4.24Å; Q1587-L1615 HydrophobicContact CG-CD2 3.98Å
1588Y84.1Confident84.5Confident6 Ų613 Ų132%0.0247%0.071CC..Hα-helixtrans-56.7-46.1170.6172.1-100000111.3F1407 F1410 T1416 A1584 L1590 T1591 L1592 I1593 P1595F1407-Y1588 HydrophobicContact CD1-CG 4.34Å; F1407-Y1588 HydrophobicContact CE1-CD1 4.32Å; F1407-Y1588 HydrophobicContact CE1-CD2 4.25Å; F1407-Y1588 AromaticContact CE1-CG 3.82Å; F1407-Y1588 HydrophobicContact CE1-CG 3.82Å; F1410-Y1588 AromaticContact CD1-CE1 3.84Å; F1410-Y1588 HydrophobicContact CD1-CE1 3.84Å; F1410-Y1588 AromaticContact CE1-CD1 3.65Å; F1410-Y1588 HydrophobicContact CE1-CD1 3.65Å; F1410-Y1588 AromaticContact CE1-CE1 3.15Å; F1410-Y1588 HydrophobicContact CE1-CE1 3.15Å; F1410-Y1588 HydrophobicContact CE2-CE1 4.48Å; F1410-Y1588 AromaticContact CZ-CD1 3.6Å; F1410-Y1588 HydrophobicContact CZ-CD1 3.6Å; F1410-Y1588 AromaticContact CZ-CE1 3.53Å; F1410-Y1588 HydrophobicContact CZ-CE1 3.53Å; T1416-Y1588 HydrophobicContact CG2-CE1 4.37Å; A1584-Y1588 VanDerWaalsContact O-CB 3.26Å; A1584-Y1588 WeakPolarHBondContact O-CB 3.45Å; A1584-Y1588 PolarHBondContact O-N 3.49Å; Y1588-L1590 VanDerWaalsContact C-N 3.26Å; Y1588-L1590 PolarHBondContact O-N 2.87Å; Y1588-T1591 PolarHBondContact O-N 2.86Å; Y1588-L1592 WeakPolarHBondContact O-CA 3.45Å; Y1588-L1592 PolarHBondContact O-N 3.31Å; Y1588-I1593 VanDerWaalsContact CD2-O 3.25Å; Y1588-I1593 WeakPolarHBondContact CD2-O 3.45Å; Y1588-P1595 HydrophobicContact CE2-CG 4.47Å
1589S79Confident84.3Confident0 Ų012.8 Ų12.80%07%0.07CC..Hα-helixtrans-62.5-29.3-179.465.40000115.4L1415 P1419 L1585 F1586 Q1587L1415-S1589 WeakPolarHBondContact O-CB 3.33Å; P1419-S1589 WeakPolarHBondContact CG-OG 3.38Å; L1585-S1589 PolarHBondContact O-N 3Å; L1585-S1589 PolarHBondContact O-OG 3.13Å; F1586-S1589 WeakPolarHBondContact CA-OG 3.49Å; F1586-S1589 PolarHBondContact O-N 3.48Å; F1586-S1589 PolarHBondContact O-OG 2.95Å; Q1587-S1589 VanDerWaalsContact C-N 3.3Å; Q1587-S1589 PolarHBondContact O-N 3.47Å
1590L77.7Confident83.7Confident10 Ų1013.8 Ų13.85%0.0527%0.074CC..Hα-helixtrans-87.8-44.9178.9-68.2177.9000112.4P1419 T1480 F1481 P1497 F1586 Q1587 Y1588P1419-L1590 HydrophobicContact CB-CD2 3.87Å; T1480-L1590 HydrophobicContact CG2-CD1 3.86Å; F1481-L1590 HydrophobicContact CE1-CD2 3.64Å; F1481-L1590 HydrophobicContact CZ-CD2 3.78Å; P1497-L1590 HydrophobicContact CB-CD1 4.44Å; P1497-L1590 HydrophobicContact CG-CD1 3.87Å; P1497-L1590 HydrophobicContact CG-CD2 4.09Å; P1497-L1590 HydrophobicContact CG-CG 4.49Å; F1586-L1590 HydrophobicContact CD1-CD1 4.25Å; F1586-L1590 HydrophobicContact CD2-CD1 4.25Å; F1586-L1590 HydrophobicContact CD2-CG 4.34Å; F1586-L1590 HydrophobicContact CE1-CD1 3.7Å; F1586-L1590 HydrophobicContact CE2-CD1 3.68Å; F1586-L1590 HydrophobicContact CE2-CD2 4.3Å; F1586-L1590 HydrophobicContact CE2-CG 3.98Å; F1586-L1590 HydrophobicContact CZ-CD1 3.4Å; F1586-L1590 HydrophobicContact CZ-CG 4.22Å; F1586-L1590 PolarHBondContact O-N 3.04Å; F1586-L1590 VanDerWaalsContact O-N 3.15Å; Q1587-L1590 PolarHBondContact O-N 2.96Å; Y1588-L1590 VanDerWaalsContact C-N 3.26Å; Y1588-L1590 PolarHBondContact O-N 2.87Å
1591T74.9Confident83Confident1 Ų116.9 Ų16.91%0.0069%0.091CC..Hα-helixtrans-93.5-20.1-169.665.10000113.5R1075 Q1587 Y1588 I1593R1075-T1591 PolarHBondContact NH2-O 3.3Å; Q1587-T1591 WeakPolarHBondContact O-CB 3.46Å; Q1587-T1591 WeakPolarHBondContact O-CG2 3.46Å; Q1587-T1591 PolarHBondContact O-N 3.34Å; Q1587-T1591 PolarHBondContact O-OG1 3.4Å; Y1588-T1591 PolarHBondContact O-N 2.86Å; T1591-I1593 PolarHBondContact O-N 2.97Å
1592L73.3Confident82.1Confident2 Ų220.5 Ų20.51%0.0112%0.115CC..  trans52.121.1-174.7-55175.5000114E1073 W1225 T1416 Y1588E1073-L1592 HydrophobicContact CB-CD1 4.18Å; W1225-L1592 HydrophobicContact CH2-CD1 4.22Å; T1416-L1592 HydrophobicContact CG2-CD2 3.69Å; Y1588-L1592 WeakPolarHBondContact O-CA 3.45Å; Y1588-L1592 PolarHBondContact O-N 3.31Å
1593I77.9Confident81.4Confident1 Ų123.9 Ų23.91%0.00514%0.141CC..PPolyproline II helixtrans-69124.4173.3-69.6169.8000106.5A1083 Q1090 T1093 Y1588 T1591 Y1614A1083-I1593 HydrophobicContact CB-CG2 4.12Å; Q1090-I1593 HydrophobicContact CG-CD1 3.39Å; T1093-I1593 HydrophobicContact CG2-CG1 4Å; Y1588-I1593 VanDerWaalsContact CD2-O 3.25Å; Y1588-I1593 WeakPolarHBondContact CD2-O 3.45Å; T1591-I1593 PolarHBondContact O-N 2.97Å; I1593-Y1614 HydrophobicContact CG2-CE2 4.22Å; I1593-Y1614 PolarHBondContact O-OH 2.89Å
1594P76.2Confident80.7Confident23 Ų2326.7 Ų26.715%0.14916%0.155CC..PPolyproline II helixtrans-64.1134.5-175.329.6-38.8000110R1075 V1077 A1083R1075-P1594 WeakPolarHBondContact O-CD 3.4Å; R1075-P1594 WeakPolarHBondContact O-CG 3.41Å; V1077-P1594 HydrophobicContact CG2-CG 3.7Å; A1083-P1594 VanDerWaalsContact CB-O 3.28Å; A1083-P1594 WeakPolarHBondContact CB-O 3.38Å
1595P80.3Confident79.9Confident8 Ų834 Ų345%0.05219%0.187CC..PPolyproline II helixtrans-67.6144.9172.330.4-35.3000109.3F1407 Y1588 K1600F1407-P1595 HydrophobicContact CB-CB 4.03Å; F1407-P1595 HydrophobicContact CB-CG 3.67Å; F1407-P1595 HydrophobicContact CD1-CB 3.69Å; F1407-P1595 HydrophobicContact CD1-CG 3.53Å; F1407-P1595 HydrophobicContact CD2-CB 3.64Å; F1407-P1595 HydrophobicContact CD2-CG 4.2Å; F1407-P1595 HydrophobicContact CE1-CB 4.04Å; F1407-P1595 HydrophobicContact CE1-CG 4.23Å; F1407-P1595 HydrophobicContact CE2-CB 3.89Å; F1407-P1595 HydrophobicContact CG-CB 3.53Å; F1407-P1595 HydrophobicContact CG-CG 3.56Å; F1407-P1595 HydrophobicContact CZ-CB 4.12Å; Y1588-P1595 HydrophobicContact CE2-CG 4.47Å; P1595-K1600 HydrophobicContact CG-CG 4.5Å; P1595-K1600 WeakPolarHBondContact O-CE 3.17Å
1596P82.1Confident79.6Confident18 Ų1836.2 Ų36.212%0.11720%0.199CC..PPolyproline II helixtrans-53145.2171.2-22.228.2000112.1F1082 A1083 A1598 L1599 Y1614F1082-P1596 HydrophobicContact CD1-CG 4.1Å; F1082-P1596 HydrophobicContact CD2-CB 4.27Å; F1082-P1596 HydrophobicContact CD2-CG 4.1Å; F1082-P1596 HydrophobicContact CE1-CG 3.61Å; F1082-P1596 HydrophobicContact CE2-CB 3.84Å; F1082-P1596 HydrophobicContact CE2-CG 3.64Å; F1082-P1596 HydrophobicContact CG-CG 4.32Å; F1082-P1596 HydrophobicContact CZ-CB 4.07Å; F1082-P1596 HydrophobicContact CZ-CG 3.4Å; A1083-P1596 HydrophobicContact CB-CG 4.39Å; P1596-A1598 PolarHBondContact O-N 3.02Å; P1596-A1598 VanDerWaalsContact O-N 3.12Å; P1596-L1599 HydrophobicContact CG-CD1 4.49Å; P1596-L1599 PolarHBondContact O-N 3.38Å; P1596-Y1614 HydrophobicContact CG-CD2 4.35Å
1597E78.9Confident79.4Confident127 Ų12736.7 Ų36.759%0.59320%0.201SC*.G310 helixtrans-53.9-34.2176.8-71.2-56.3132.600112.7L1599 K1600 D1601E1597-L1599 PolarHBondContact O-N 2.96Å; E1597-K1600 WeakPolarHBondContact O-CA 3.09Å; E1597-K1600 WeakPolarHBondContact O-CB 3.07Å; E1597-K1600 PolarHBondContact O-N 3.19Å; E1597-K1600 IonicContact OE1-NZ 3.73Å; E1597-K1600 PolarHBondContact OE1-NZ 2.88Å; E1597-K1600 IonicContact OE2-NZ 2.82Å; E1597-D1601 PolarHBondContact O-N 3.48Å
1598A79.5Confident79.6Confident34 Ų3436.8 Ų36.828%0.28120%0.202SC..G310 helixtrans-60.5-29175.600000113.7P1596 K1600 I1604 L1610P1596-A1598 PolarHBondContact O-N 3.02Å; P1596-A1598 VanDerWaalsContact O-N 3.12Å; A1598-K1600 VanDerWaalsContact C-N 3.27Å; A1598-I1604 HydrophobicContact CB-CD1 3.81Å; A1598-I1604 WeakPolarHBondContact O-CD1 3.42Å; A1598-L1610 HydrophobicContact CB-CD1 3.79Å; A1598-L1610 HydrophobicContact CB-CD2 4.21Å
1599L84.6Confident79.9Confident3 Ų338.7 Ų38.72%0.01621%0.214CC..G310 helixtrans-83.6-4.2175.2-73.7180000113.3F1407 P1596 E1597 D1607 L1610 V1611 Y1614F1407-L1599 HydrophobicContact CD2-CB 3.77Å; F1407-L1599 HydrophobicContact CD2-CD1 4.33Å; F1407-L1599 HydrophobicContact CE2-CB 4.25Å; F1407-L1599 HydrophobicContact CE2-CD1 3.94Å; F1407-L1599 PolarHBondContact N-O 2.92Å; F1407-L1599 VanDerWaalsContact N-O 3.11Å; P1596-L1599 HydrophobicContact CG-CD1 4.49Å; P1596-L1599 PolarHBondContact O-N 3.38Å; E1597-L1599 PolarHBondContact O-N 2.96Å; L1599-D1607 HydrophobicContact CD2-CB 4.01Å; L1599-L1610 HydrophobicContact CD1-CB 4.43Å; L1599-L1610 HydrophobicContact CD2-CB 3.37Å; L1599-L1610 HydrophobicContact CD2-CD1 4.18Å; L1599-L1610 HydrophobicContact CD2-CG 4.44Å; L1599-L1610 HydrophobicContact CG-CB 3.85Å; L1599-V1611 HydrophobicContact CD2-CG2 3.82Å; L1599-Y1614 HydrophobicContact CD1-CD1 4.5Å; L1599-Y1614 HydrophobicContact CD1-CG 4.16Å
1600K79.4Confident80.4Confident30 Ų3040.3 Ų40.313%0.1322%0.223CC..THydrogen-bonded Turntrans-98.9-18.1173.6-54179.4-171.7170.90112.4Y1070 A1405 F1407 P1595 E1597 A1598 P1602Y1070-K1600 HydrophobicContact CE1-CD 4.22Å; A1405-K1600 VanDerWaalsContact CB-C 3.49Å; A1405-K1600 VanDerWaalsContact CB-O 3.31Å; A1405-K1600 WeakPolarHBondContact CB-O 3.33Å; F1407-K1600 HydrophobicContact CB-CG 4.03Å; P1595-K1600 HydrophobicContact CG-CG 4.5Å; P1595-K1600 WeakPolarHBondContact O-CE 3.17Å; E1597-K1600 WeakPolarHBondContact O-CA 3.09Å; E1597-K1600 WeakPolarHBondContact O-CB 3.07Å; E1597-K1600 PolarHBondContact O-N 3.19Å; E1597-K1600 IonicContact OE1-NZ 3.73Å; E1597-K1600 PolarHBondContact OE1-NZ 2.88Å; E1597-K1600 IonicContact OE2-NZ 2.82Å; A1598-K1600 VanDerWaalsContact C-N 3.27Å; K1600-P1602 WeakPolarHBondContact O-CD 3.46Å
1601D78.3Confident81.1Confident65 Ų6539.9 Ų39.935%0.34822%0.221SC..  trans-80.2114.9-177.1-176.71.5000112E1597 S1603 I1604E1597-D1601 PolarHBondContact O-N 3.48Å; D1601-S1603 PolarHBondContact O-N 2.87Å; D1601-S1603 WeakPolarHBondContact OD1-CB 3.43Å; D1601-S1603 PolarHBondContact OD1-N 2.93Å; D1601-S1603 PolarHBondContact OD1-OG 3.17Å; D1601-S1603 VanDerWaalsContact OD1-OG 3.06Å; D1601-S1603 PolarHBondContact OD2-OG 2.88Å; D1601-I1604 HydrophobicContact CB-CD1 4.17Å; D1601-I1604 HydrophobicContact CB-CG1 4.43Å; D1601-I1604 PolarHBondContact O-N 3.08Å
1602P74.1Confident82Confident88 Ų8839.9 Ų39.957%0.57122%0.221SC*.THydrogen-bonded Turntrans-69.1-10.9176.930.2-35.8000113.8K1600 I1604K1600-P1602 WeakPolarHBondContact O-CD 3.46Å; P1602-I1604 PolarHBondContact O-N 3.02Å
1603S75.5Confident82.9Confident85 Ų8544.9 Ų44.959%0.59424%0.239SC*.THydrogen-bonded Turntrans-69.8-22.6175.488.40000112.5D1601 K1605D1601-S1603 PolarHBondContact O-N 2.87Å; D1601-S1603 WeakPolarHBondContact OD1-CB 3.43Å; D1601-S1603 PolarHBondContact OD1-N 2.93Å; D1601-S1603 PolarHBondContact OD1-OG 3.17Å; D1601-S1603 VanDerWaalsContact OD1-OG 3.06Å; D1601-S1603 PolarHBondContact OD2-OG 2.88Å; S1603-K1605 PolarHBondContact O-N 3.48Å
1604I78.9Confident83.5Confident58 Ų5844.8 Ų44.830%0.29724%0.239SC..  trans-82.9104.4-179.9-65.6172000109.2A1598 D1601 P1602 D1606 L1610A1598-I1604 HydrophobicContact CB-CD1 3.81Å; A1598-I1604 WeakPolarHBondContact O-CD1 3.42Å; D1601-I1604 HydrophobicContact CB-CD1 4.17Å; D1601-I1604 HydrophobicContact CB-CG1 4.43Å; D1601-I1604 PolarHBondContact O-N 3.08Å; P1602-I1604 PolarHBondContact O-N 3.02Å; I1604-D1606 WeakPolarHBondContact CG2-O 3.31Å; I1604-L1610 HydrophobicContact CD1-CD1 4.14Å; I1604-L1610 HydrophobicContact CG2-CD1 3.98Å
1605K74.9Confident84.3Confident155 Ų15543.7 Ų43.767%0.67423%0.232SC*.SBendtrans-77.5-31179.7-65.1-172.9177.7-1770113.8S1603S1603-K1605 PolarHBondContact O-N 3.48Å
1606D83.4Confident84.8Confident46 Ų4644.8 Ų44.825%0.24624%0.244CC..  trans-110.694.4177.9-177.125.5000110.4L1534 R1573 I1604 F1608L1534-D1606 HydrophobicContact CD1-CB 4.31Å; L1534-D1606 HydrophobicContact CD2-CB 4.16Å; R1573-D1606 IonicContact CZ-OD1 3.49Å; R1573-D1606 IonicContact CZ-OD2 3.94Å; R1573-D1606 IonicContact NH2-OD1 2.99Å; R1573-D1606 PolarHBondContact NH2-OD1 2.77Å; R1573-D1606 IonicContact NH2-OD2 2.81Å; R1573-D1606 PolarHBondContact NH2-OD2 3.08Å; I1604-D1606 WeakPolarHBondContact CG2-O 3.31Å; D1606-F1608 WeakPolarHBondContact OD1-CB 3.43Å; D1606-F1608 PolarHBondContact OD1-N 2.89Å
1607D87.7Confident85.3Confident10 Ų1044.3 Ų44.35%0.05324%0.241CC..  trans-92-5.5178.567.1-32.7000113.1R1577 R1581 L1599 L1610 V1611R1577-D1607 IonicContact CZ-OD1 2.85Å; R1577-D1607 VanDerWaalsContact CZ-OD1 3.23Å; R1577-D1607 IonicContact NE-OD1 2.88Å; R1577-D1607 PolarHBondContact NE-OD1 3.19Å; R1577-D1607 IonicContact NH2-OD1 2.57Å; R1577-D1607 PolarHBondContact NH2-OD1 3.27Å; R1581-D1607 IonicContact CZ-OD2 2.93Å; R1581-D1607 IonicContact NH1-OD1 3.34Å; R1581-D1607 IonicContact NH1-OD2 2.93Å; R1581-D1607 PolarHBondContact NH1-OD2 3.05Å; L1599-D1607 HydrophobicContact CD2-CB 4.01Å; D1607-L1610 WeakPolarHBondContact O-CB 3.21Å; D1607-L1610 PolarHBondContact O-N 3.05Å; D1607-V1611 HydrophobicContact CB-CG2 4.31Å; D1607-V1611 WeakPolarHBondContact O-CG2 3.44Å; D1607-V1611 PolarHBondContact O-N 3.2Å
1608F90.2Very high85.9Confident3 Ų340 Ų401%0.01322%0.224CC..Hα-helixtrans-49.7-53.6-178.1-179.1-96.4000114.3V1576 R1577 L1580 D1606 L1610 V1611 C1612 L1621V1576-F1608 HydrophobicContact CB-CE2 4.45Å; V1576-F1608 HydrophobicContact CG1-CE2 4.02Å; V1576-F1608 HydrophobicContact CG1-CZ 4.43Å; R1577-F1608 HydrophobicContact CB-CD2 3.68Å; R1577-F1608 HydrophobicContact CB-CE2 4.3Å; R1577-F1608 HydrophobicContact CG-CB 4.34Å; R1577-F1608 HydrophobicContact CG-CD2 4.02Å; L1580-F1608 HydrophobicContact CD1-CE2 4.27Å; D1606-F1608 WeakPolarHBondContact OD1-CB 3.43Å; D1606-F1608 PolarHBondContact OD1-N 2.89Å; F1608-L1610 VanDerWaalsContact C-N 3.28Å; F1608-L1610 PolarHBondContact O-N 3.16Å; F1608-V1611 PolarHBondContact O-N 3.01Å; F1608-C1612 PolarHBondContact O-N 2.67Å; F1608-C1612 PolarHBondContact O-SG 3.38Å; F1608-L1621 HydrophobicContact CE1-CB 4.45Å; F1608-L1621 HydrophobicContact CZ-CB 4.36Å; F1608-L1621 HydrophobicContact CZ-CD1 4.12Å
1609P90.8Very high86.3Confident45 Ų4541.6 Ų41.629%0.29223%0.228SC..Hα-helixtrans-65.7-32.1-18025.3-34.4000112.6R1613 N1619P1609-R1613 WeakPolarHBondContact O-CB 3.47Å; P1609-R1613 PolarHBondContact O-N 3.5Å; P1609-N1619 HydrophobicContact CB-CB 4.26Å
1610L90.8Very high86.5Confident34 Ų3443.9 Ų43.918%0.17824%0.242CC..Hα-helixtrans-72.3-41179.3-64.6172.5000111.4F1082 A1598 L1599 I1604 D1607 F1608 R1613 Y1614F1082-L1610 HydrophobicContact CE2-CD2 3.9Å; F1082-L1610 HydrophobicContact CZ-CD2 4.19Å; A1598-L1610 HydrophobicContact CB-CD1 3.79Å; A1598-L1610 HydrophobicContact CB-CD2 4.21Å; L1599-L1610 HydrophobicContact CD1-CB 4.43Å; L1599-L1610 HydrophobicContact CD2-CB 3.37Å; L1599-L1610 HydrophobicContact CD2-CD1 4.18Å; L1599-L1610 HydrophobicContact CD2-CG 4.44Å; L1599-L1610 HydrophobicContact CG-CB 3.85Å; I1604-L1610 HydrophobicContact CD1-CD1 4.14Å; I1604-L1610 HydrophobicContact CG2-CD1 3.98Å; D1607-L1610 WeakPolarHBondContact O-CB 3.21Å; D1607-L1610 PolarHBondContact O-N 3.05Å; F1608-L1610 VanDerWaalsContact C-N 3.28Å; F1608-L1610 PolarHBondContact O-N 3.16Å; L1610-R1613 PolarHBondContact O-N 2.91Å; L1610-Y1614 WeakPolarHBondContact O-CB 3.46Å; L1610-Y1614 PolarHBondContact O-N 3.29Å
1611V91.8Very high87Confident2 Ų242.5 Ų42.51%0.01224%0.236CC..Hα-helixtrans-64.2-44.6174.7173.10000110.4L1406 L1580 R1581 A1584 L1599 D1607 F1608 Y1614 L1615L1406-V1611 HydrophobicContact CD2-CG2 3.68Å; L1580-V1611 HydrophobicContact CB-CG1 3.83Å; R1581-V1611 HydrophobicContact CG-CG2 4.28Å; A1584-V1611 HydrophobicContact CB-CG1 4.11Å; L1599-V1611 HydrophobicContact CD2-CG2 3.82Å; D1607-V1611 HydrophobicContact CB-CG2 4.31Å; D1607-V1611 WeakPolarHBondContact O-CG2 3.44Å; D1607-V1611 PolarHBondContact O-N 3.2Å; F1608-V1611 PolarHBondContact O-N 3.01Å; V1611-Y1614 PolarHBondContact O-N 3.39Å; V1611-L1615 HydrophobicContact CG1-CD1 4.24Å; V1611-L1615 WeakPolarHBondContact O-CG 3.5Å; V1611-L1615 PolarHBondContact O-N 3.2Å
1612C93.5Very high87.5Confident0 Ų040.3 Ų40.30%023%0.226CC..Hα-helixtrans-59-49.9175.6-68.30000111.3F1608 Y1614 L1615 G1616 L1617 P1618F1608-C1612 PolarHBondContact O-N 2.67Å; F1608-C1612 PolarHBondContact O-SG 3.38Å; C1612-Y1614 VanDerWaalsContact C-N 3.29Å; C1612-Y1614 PolarHBondContact O-N 2.76Å; C1612-L1615 CarbonylContact O-C 3.58Å; C1612-L1615 PolarHBondContact O-N 3.29Å; C1612-L1615 VanDerWaalsContact O-N 3.1Å; C1612-G1616 PolarHBondContact O-N 2.83Å; C1612-G1616 VanDerWaalsContact O-N 3.16Å; C1612-L1617 HydrophobicContact CB-CB 4.15Å; C1612-L1617 WeakPolarHBondContact O-CB 3.5Å; C1612-L1617 PolarHBondContact O-N 3.4Å; C1612-P1618 WeakPolarHBondContact CB-O 3.43Å
1613R91.4Very high88.2Confident107 Ų10740.6 Ų40.640%0.40422%0.219SC..Hα-helixtrans-59.4-40.6178.2-166.4179.1173.1176.9-1.6112F1082 P1609 L1610 L1615 G1616 N1619F1082-R1613 VanDerWaalsContact CB-NH2 3.32Å; F1082-R1613 HydrophobicContact CD1-CB 4.28Å; F1082-R1613 HydrophobicContact CD1-CG 3.56Å; F1082-R1613 HydrophobicContact CE1-CB 3.6Å; F1082-R1613 HydrophobicContact CE1-CG 3.41Å; F1082-R1613 VanDerWaalsContact CE1-CG 3.41Å; F1082-R1613 HydrophobicContact CG-CG 4.25Å; F1082-R1613 VanDerWaalsContact CG-NE 3.29Å; F1082-R1613 HydrophobicContact CZ-CB 3.88Å; F1082-R1613 HydrophobicContact CZ-CG 3.96Å; P1609-R1613 WeakPolarHBondContact O-CB 3.47Å; P1609-R1613 PolarHBondContact O-N 3.5Å; L1610-R1613 PolarHBondContact O-N 2.91Å; R1613-L1615 VanDerWaalsContact C-N 3.32Å; R1613-L1615 PolarHBondContact O-N 3.03Å; R1613-G1616 PolarHBondContact O-N 3.07Å; R1613-G1616 VanDerWaalsContact O-N 3.07Å; R1613-N1619 WeakPolarHBondContact CB-OD1 3.34Å
1614Y91.7Very high89Confident0 Ų036.6 Ų36.60%019%0.191CC..Hα-helixtrans-63.9-37.6177.3179.4-113.4000111.6A1083 V1084 S1085 F1407 A1584 I1593 P1596 L1599 L1610 V1611 C1612 G1616A1083-Y1614 WeakPolarHBondContact O-CD2 3.43Å; V1084-Y1614 CarbonylContact C-O 3.5Å; V1084-Y1614 WeakPolarHBondContact CA-O 3.43Å; S1085-Y1614 PolarHBondContact N-O 3.08Å; S1085-Y1614 PolarHBondContact OG-O 3.39Å; F1407-Y1614 HydrophobicContact CZ-CD1 4.36Å; F1407-Y1614 AromaticContact CZ-CE1 3.89Å; F1407-Y1614 HydrophobicContact CZ-CE1 3.89Å; A1584-Y1614 HydrophobicContact CB-CD1 4.06Å; A1584-Y1614 HydrophobicContact CB-CE1 4.29Å; I1593-Y1614 HydrophobicContact CG2-CE2 4.22Å; I1593-Y1614 PolarHBondContact O-OH 2.89Å; P1596-Y1614 HydrophobicContact CG-CD2 4.35Å; L1599-Y1614 HydrophobicContact CD1-CD1 4.5Å; L1599-Y1614 HydrophobicContact CD1-CG 4.16Å; L1610-Y1614 WeakPolarHBondContact O-CB 3.46Å; L1610-Y1614 PolarHBondContact O-N 3.29Å; V1611-Y1614 PolarHBondContact O-N 3.39Å; C1612-Y1614 VanDerWaalsContact C-N 3.29Å; C1612-Y1614 PolarHBondContact O-N 2.76Å; Y1614-G1616 PolarHBondContact O-N 3.42Å
1615L93.3Very high89.6Confident0 Ų034.2 Ų34.20%018%0.179CC..THydrogen-bonded Turntrans-79.95.1173.9-66.5176.4000114.2L1580 V1583 A1584 Q1587 V1611 C1612 R1613 L1617L1580-L1615 HydrophobicContact CB-CD1 4.06Å; L1580-L1615 HydrophobicContact CD2-CD1 3.88Å; V1583-L1615 HydrophobicContact CB-CD1 4.14Å; V1583-L1615 HydrophobicContact CG1-CD1 3.86Å; V1583-L1615 HydrophobicContact CG1-CD2 3.86Å; A1584-L1615 HydrophobicContact CB-CD1 4.39Å; A1584-L1615 HydrophobicContact CB-CD2 4.24Å; A1584-L1615 HydrophobicContact CB-CG 4.33Å; Q1587-L1615 HydrophobicContact CB-CD2 4.24Å; Q1587-L1615 HydrophobicContact CG-CD2 3.98Å; V1611-L1615 HydrophobicContact CG1-CD1 4.24Å; V1611-L1615 WeakPolarHBondContact O-CG 3.5Å; V1611-L1615 PolarHBondContact O-N 3.2Å; C1612-L1615 CarbonylContact O-C 3.58Å; C1612-L1615 PolarHBondContact O-N 3.29Å; C1612-L1615 VanDerWaalsContact O-N 3.1Å; R1613-L1615 VanDerWaalsContact C-N 3.32Å; R1613-L1615 PolarHBondContact O-N 3.03Å; L1615-L1617 HydrophobicContact CB-CD1 3.99Å; L1615-L1617 HydrophobicContact CB-CG 3.97Å; L1615-L1617 HydrophobicContact CD1-CD1 4.3Å; L1615-L1617 PolarHBondContact O-N 3.14Å
1616G90.3Very high90.2Very high30 Ų3031.5 Ų31.531%0.30917%0.172SC..THydrogen-bonded Turntrans70.216.2-177.500000114H1504 C1612 R1613 Y1614H1504-G1616 PolarHBondContact CE1-O 3.14Å; H1504-G1616 VanDerWaalsContact CE1-O 3.3Å; C1612-G1616 PolarHBondContact O-N 2.83Å; C1612-G1616 VanDerWaalsContact O-N 3.16Å; R1613-G1616 PolarHBondContact O-N 3.07Å; R1613-G1616 VanDerWaalsContact O-N 3.07Å; Y1614-G1616 PolarHBondContact O-N 3.42Å
1617L93.3Very high90.6Very high8 Ų830.6 Ų30.64%0.04217%0.166CC..  trans-90.6162.5-179.2-61.2175.6000111.6L1507 L1580 C1612 L1615 L1624 F1627L1507-L1617 HydrophobicContact CD2-CD1 4.02Å; L1507-L1617 HydrophobicContact CD2-CD2 4.22Å; L1507-L1617 HydrophobicContact CD2-CG 4.39Å; L1580-L1617 HydrophobicContact CD1-CD1 4.12Å; L1580-L1617 HydrophobicContact CD2-CD1 3.6Å; C1612-L1617 HydrophobicContact CB-CB 4.15Å; C1612-L1617 WeakPolarHBondContact O-CB 3.5Å; C1612-L1617 PolarHBondContact O-N 3.4Å; L1615-L1617 HydrophobicContact CB-CD1 3.99Å; L1615-L1617 HydrophobicContact CB-CG 3.97Å; L1615-L1617 HydrophobicContact CD1-CD1 4.3Å; L1615-L1617 PolarHBondContact O-N 3.14Å; L1617-L1624 HydrophobicContact CB-CD1 4.1Å; L1617-L1624 HydrophobicContact CD1-CD1 4.25Å; L1617-L1624 HydrophobicContact CD2-CD1 4.41Å; L1617-F1627 HydrophobicContact CD2-CD1 3.9Å; L1617-F1627 HydrophobicContact CD2-CE1 3.39Å; L1617-F1627 HydrophobicContact CD2-CE2 4.14Å; L1617-F1627 HydrophobicContact CD2-CG 4.44Å; L1617-F1627 HydrophobicContact CD2-CZ 3.52Å
1618P91.1Very high90.9Very high37 Ų3730.3 Ų30.324%0.2417%0.165CC..  trans-59.5147.2168.6-19.431.1000112.5C1612 T1620 E1623 F1627C1612-P1618 WeakPolarHBondContact CB-O 3.43Å; P1618-T1620 PolarHBondContact O-N 2.94Å; P1618-E1623 HydrophobicContact CB-CB 3.44Å; P1618-E1623 VanDerWaalsContact CB-CB 3.44Å; P1618-E1623 HydrophobicContact CG-CB 4.37Å; P1618-F1627 HydrophobicContact CG-CB 4.01Å
1619N88.6Confident90.9Very high68 Ų6830.6 Ų30.636%0.36417%0.166SC..SBendtrans-84.2-14.5-165.6-62.5-25.4000114P1609 R1613 E1623P1609-N1619 HydrophobicContact CB-CB 4.26Å; R1613-N1619 WeakPolarHBondContact CB-OD1 3.34Å; N1619-E1623 PolarHBondContact N-OE2 3.35Å
1620T88.8Confident90.9Very high51 Ų5131.2 Ų31.231%0.31317%0.166SC..SBendtrans-119.2152.2-17966.90000110.8P1618 S1622 E1623 L1624P1618-T1620 PolarHBondContact O-N 2.94Å; T1620-S1622 PolarHBondContact O-N 2.68Å; T1620-E1623 PolarHBondContact O-N 2.78Å; T1620-E1623 WeakPolarHBondContact OG1-CB 3.29Å; T1620-E1623 VanDerWaalsContact OG1-CD 3.24Å; T1620-E1623 WeakPolarHBondContact OG1-CG 3.4Å; T1620-E1623 PolarHBondContact OG1-N 2.9Å; T1620-E1623 PolarHBondContact OG1-OE2 2.91Å; T1620-L1624 WeakPolarHBondContact O-CB 3.34Å; T1620-L1624 PolarHBondContact O-N 3.5Å
1621L89.2Confident90.8Very high0 Ų035.7 Ų35.70%019%0.19CC..Hα-helixtrans-61.2-34.8179.5-168.966.7000112.2F1515 D1539 A1542 L1572 R1573 V1576 F1608 L1624 V1625F1515-L1621 HydrophobicContact CE1-CD1 4.24Å; F1515-L1621 HydrophobicContact CZ-CD1 3.82Å; D1539-L1621 HydrophobicContact CB-CD2 4.04Å; D1539-L1621 VanDerWaalsContact OD1-CB 3.3Å; D1539-L1621 WeakPolarHBondContact OD1-CB 3.45Å; A1542-L1621 HydrophobicContact CB-CB 4.16Å; A1542-L1621 HydrophobicContact CB-CD2 4Å; A1542-L1621 HydrophobicContact CB-CG 3.76Å; L1572-L1621 HydrophobicContact CD2-CD2 3.9Å; L1572-L1621 HydrophobicContact CG-CD2 3.99Å; R1573-L1621 HydrophobicContact CB-CD2 4.23Å; V1576-L1621 HydrophobicContact CB-CD1 4.31Å; V1576-L1621 HydrophobicContact CG1-CD1 4.3Å; V1576-L1621 HydrophobicContact CG2-CD1 4.21Å; F1608-L1621 HydrophobicContact CE1-CB 4.45Å; F1608-L1621 HydrophobicContact CZ-CB 4.36Å; F1608-L1621 HydrophobicContact CZ-CD1 4.12Å; L1621-L1624 HydrophobicContact CD1-CD2 4.34Å; L1621-L1624 WeakPolarHBondContact O-CB 3.49Å; L1621-L1624 PolarHBondContact O-N 3.05Å; L1621-V1625 PolarHBondContact O-N 3.32Å
1622S87.8Confident90.6Very high19 Ų1936.2 Ų36.213%0.13319%0.194CC..Hα-helixtrans-67.5-44.5177.4-168.70000112.2R1545 T1620 L1624 V1625R1545-S1622 PolarHBondContact NH1-O 3.5Å; R1545-S1622 PolarHBondContact NH1-OG 3.42Å; T1620-S1622 PolarHBondContact O-N 2.68Å; S1622-L1624 PolarHBondContact O-N 3.25Å; S1622-V1625 WeakPolarHBondContact O-CB 3.3Å; S1622-V1625 PolarHBondContact O-N 3.22Å
1623E89Confident90.5Very high95 Ų9536.3 Ų36.344%0.44420%0.195SC..Hα-helixtrans-67.8-28.4174.8-65.5166.6166.500111.8P1618 N1619 T1620 V1625 D1626 F1627P1618-E1623 HydrophobicContact CB-CB 3.44Å; P1618-E1623 VanDerWaalsContact CB-CB 3.44Å; P1618-E1623 HydrophobicContact CG-CB 4.37Å; N1619-E1623 PolarHBondContact N-OE2 3.35Å; T1620-E1623 PolarHBondContact O-N 2.78Å; T1620-E1623 WeakPolarHBondContact OG1-CB 3.29Å; T1620-E1623 VanDerWaalsContact OG1-CD 3.24Å; T1620-E1623 WeakPolarHBondContact OG1-CG 3.4Å; T1620-E1623 PolarHBondContact OG1-N 2.9Å; T1620-E1623 PolarHBondContact OG1-OE2 2.91Å; E1623-V1625 PolarHBondContact O-N 3.23Å; E1623-D1626 WeakPolarHBondContact O-CB 3.46Å; E1623-D1626 PolarHBondContact O-N 2.83Å; E1623-D1626 VanDerWaalsContact O-N 3.09Å; E1623-F1627 PolarHBondContact O-N 3.49Å
1624L91.9Very high90.4Very high0 Ų036.3 Ų36.30%020%0.198CC..Hα-helixtrans-64.9-29.1174.5-164.365.3000111.7L1511 F1515 V1576 L1580 L1617 T1620 L1621 S1622 D1626 F1627 L1628L1511-L1624 HydrophobicContact CD2-CD1 3.75Å; L1511-L1624 HydrophobicContact CD2-CD2 4.01Å; L1511-L1624 HydrophobicContact CD2-CG 3.91Å; F1515-L1624 HydrophobicContact CE2-CD2 4.1Å; F1515-L1624 HydrophobicContact CE2-CG 4.44Å; F1515-L1624 HydrophobicContact CZ-CD2 4.11Å; F1515-L1624 HydrophobicContact CZ-CG 4.48Å; V1576-L1624 HydrophobicContact CG1-CD2 3.74Å; L1580-L1624 HydrophobicContact CD1-CD2 4.47Å; L1617-L1624 HydrophobicContact CB-CD1 4.1Å; L1617-L1624 HydrophobicContact CD1-CD1 4.25Å; L1617-L1624 HydrophobicContact CD2-CD1 4.41Å; T1620-L1624 WeakPolarHBondContact O-CB 3.34Å; T1620-L1624 PolarHBondContact O-N 3.5Å; L1621-L1624 HydrophobicContact CD1-CD2 4.34Å; L1621-L1624 WeakPolarHBondContact O-CB 3.49Å; L1621-L1624 PolarHBondContact O-N 3.05Å; S1622-L1624 PolarHBondContact O-N 3.25Å; L1624-D1626 VanDerWaalsContact C-N 3.27Å; L1624-D1626 PolarHBondContact O-N 3.22Å; L1624-F1627 HydrophobicContact CD1-CB 4.36Å; L1624-F1627 HydrophobicContact CD1-CD1 4.21Å; L1624-F1627 WeakPolarHBondContact O-CB 3.21Å; L1624-F1627 PolarHBondContact O-N 3Å; L1624-F1627 VanDerWaalsContact O-N 3.09Å; L1624-L1628 WeakPolarHBondContact O-CG 3.47Å; L1624-L1628 PolarHBondContact O-N 2.81Å
1625V91.3Very high90.2Very high8 Ų837.8 Ų37.85%0.04821%0.208CC..Hα-helixtrans-61.1-37.2171.5178.20000111.1A1542 R1545 L1546 L1621 S1622 E1623 F1627 L1628A1542-V1625 HydrophobicContact CB-CG2 3.93Å; R1545-V1625 HydrophobicContact CB-CG1 4.46Å; L1546-V1625 HydrophobicContact CD1-CG1 4.24Å; L1546-V1625 HydrophobicContact CD1-CG2 3.9Å; L1546-V1625 HydrophobicContact CD2-CG1 3.81Å; L1546-V1625 HydrophobicContact CG-CG1 3.81Å; L1546-V1625 HydrophobicContact CG-CG2 4.17Å; L1621-V1625 PolarHBondContact O-N 3.32Å; S1622-V1625 WeakPolarHBondContact O-CB 3.3Å; S1622-V1625 PolarHBondContact O-N 3.22Å; E1623-V1625 PolarHBondContact O-N 3.23Å; V1625-F1627 PolarHBondContact O-N 3.43Å; V1625-L1628 WeakPolarHBondContact O-CB 3.36Å; V1625-L1628 PolarHBondContact O-N 3.34Å
1626D89.1Confident90.1Very high99 Ų9937.9 Ų37.953%0.52921%0.208SC..Hα-helixtrans-68.3-24175.9-64.2-61.3000112.7R1545 E1623 L1624R1545-D1626 IonicContact CZ-OD1 3.57Å; R1545-D1626 IonicContact CZ-OD2 2.78Å; R1545-D1626 IonicContact NH1-OD1 2.94Å; R1545-D1626 IonicContact NH1-OD2 3.67Å; R1545-D1626 PolarHBondContact NH1-OD2 3.38Å; R1545-D1626 IonicContact NH2-OD1 3.71Å; R1545-D1626 PolarHBondContact NH2-OD1 3.32Å; R1545-D1626 IonicContact NH2-OD2 3.99Å; R1545-D1626 PolarHBondContact NH2-OD2 3.29Å; E1623-D1626 WeakPolarHBondContact O-CB 3.46Å; E1623-D1626 PolarHBondContact O-N 2.83Å; E1623-D1626 VanDerWaalsContact O-N 3.09Å; L1624-D1626 VanDerWaalsContact C-N 3.27Å; L1624-D1626 PolarHBondContact O-N 3.22Å
1627F91.4Very high90Very high27 Ų2736.4 Ų36.412%0.11819%0.194CC..Hα-helixtrans-77.4-18.7174.2179.6-102.1000113H1504 R1508 L1511 L1617 P1618 E1623 L1624 V1625H1504-F1627 AromaticContact CD2-CE2 3.72Å; H1504-F1627 AromaticContact CD2-CZ 3.6Å; H1504-F1627 AromaticContact NE2-CE2 3.25Å; H1504-F1627 WeakPolarHBondContact NE2-CE2 3.32Å; H1504-F1627 AromaticContact NE2-CZ 3.38Å; H1504-F1627 WeakPolarHBondContact NE2-CZ 3.35Å; R1508-F1627 HydrophobicContact CB-CD1 4.4Å; R1508-F1627 HydrophobicContact CB-CE1 3.56Å; R1508-F1627 HydrophobicContact CB-CE2 4.39Å; R1508-F1627 HydrophobicContact CB-CZ 3.56Å; R1508-F1627 WeakPolarHBondContact CD-O 3.45Å; R1508-F1627 HydrophobicContact CG-CD1 4.19Å; R1508-F1627 HydrophobicContact CG-CE1 3.83Å; R1508-F1627 HydrophobicContact CG-CE2 4.48Å; R1508-F1627 HydrophobicContact CG-CZ 4Å; R1508-F1627 VanDerWaalsContact CG-O 3.23Å; R1508-F1627 WeakPolarHBondContact CG-O 3.48Å; R1508-F1627 PolarHBondContact NE-O 2.99Å; R1508-F1627 PolarHBondContact NH2-O 3.36Å; L1511-F1627 HydrophobicContact CD2-CD1 4.11Å; L1511-F1627 HydrophobicContact CD2-CE1 4.29Å; L1617-F1627 HydrophobicContact CD2-CD1 3.9Å; L1617-F1627 HydrophobicContact CD2-CE1 3.39Å; L1617-F1627 HydrophobicContact CD2-CE2 4.14Å; L1617-F1627 HydrophobicContact CD2-CG 4.44Å; L1617-F1627 HydrophobicContact CD2-CZ 3.52Å; P1618-F1627 HydrophobicContact CG-CB 4.01Å; E1623-F1627 PolarHBondContact O-N 3.49Å; L1624-F1627 HydrophobicContact CD1-CB 4.36Å; L1624-F1627 HydrophobicContact CD1-CD1 4.21Å; L1624-F1627 WeakPolarHBondContact O-CB 3.21Å; L1624-F1627 PolarHBondContact O-N 3Å; L1624-F1627 VanDerWaalsContact O-N 3.09Å; V1625-F1627 PolarHBondContact O-N 3.43Å
1628L92.9Very high89.6Confident4 Ų439.1 Ų39.12%0.02121%0.213CC..SBendtrans-68.7159.3-176.2-55.3-179.2000112.9R1508 L1511 F1515 L1546 L1624 V1625 I1633R1508-L1628 PolarHBondContact NH2-O 2.99Å; L1511-L1628 HydrophobicContact CB-CD2 4.48Å; L1511-L1628 HydrophobicContact CD2-CD2 4.1Å; L1511-L1628 HydrophobicContact CG-CD2 3.94Å; F1515-L1628 HydrophobicContact CB-CD1 4.07Å; F1515-L1628 HydrophobicContact CD1-CD1 3.98Å; F1515-L1628 HydrophobicContact CD2-CD1 3.71Å; F1515-L1628 HydrophobicContact CD2-CD2 3.69Å; F1515-L1628 HydrophobicContact CD2-CG 4.35Å; F1515-L1628 HydrophobicContact CE1-CD1 4.31Å; F1515-L1628 HydrophobicContact CE2-CD1 4.09Å; F1515-L1628 HydrophobicContact CE2-CD2 3.83Å; F1515-L1628 HydrophobicContact CE2-CG 4.5Å; F1515-L1628 HydrophobicContact CG-CD1 3.65Å; F1515-L1628 HydrophobicContact CG-CD2 4.45Å; F1515-L1628 HydrophobicContact CZ-CD1 4.35Å; L1546-L1628 HydrophobicContact CD1-CD1 3.97Å; L1546-L1628 HydrophobicContact CD2-CD1 4.4Å; L1624-L1628 WeakPolarHBondContact O-CG 3.47Å; L1624-L1628 PolarHBondContact O-N 2.81Å; V1625-L1628 WeakPolarHBondContact O-CB 3.36Å; V1625-L1628 PolarHBondContact O-N 3.34Å; L1628-I1633 HydrophobicContact CB-CD1 4.29Å; L1628-I1633 HydrophobicContact CD1-CD1 4.34Å
1629D91.1Very high89.3Confident8 Ų838.5 Ų38.54%0.04321%0.208CC..  trans-91.393.1167.6-176-7.2000110Y1236 Q1240 S1512 D1631 A1632 I1633Y1236-D1629 HydrophobicContact CE1-CB 3.77Å; Y1236-D1629 WeakPolarHBondContact CE1-OD2 3.5Å; Y1236-D1629 WeakPolarHBondContact OH-CB 3.5Å; Y1236-D1629 PolarHBondContact OH-OD2 3.17Å; Y1236-D1629 VanDerWaalsContact OH-OD2 3.05Å; Q1240-D1629 PolarHBondContact NE2-OD2 3.41Å; S1512-D1629 PolarHBondContact OG-N 3.11Å; D1629-D1631 VanDerWaalsContact C-N 3.27Å; D1629-D1631 PolarHBondContact O-N 3.29Å; D1629-D1631 PolarHBondContact OD1-N 3.26Å; D1629-A1632 HydrophobicContact CB-CB 3.95Å; D1629-A1632 PolarHBondContact O-N 2.97Å; D1629-A1632 PolarHBondContact OD1-N 3.24Å; D1629-A1632 WeakPolarHBondContact OD2-CB 3.44Å; D1629-I1633 VanDerWaalsContact O-CG1 3.32Å; D1629-I1633 WeakPolarHBondContact O-CG1 3.28Å; D1629-I1633 PolarHBondContact O-N 2.57Å; D1629-I1633 VanDerWaalsContact O-N 3.09Å
1630M91Very high89Confident59 Ų5942.9 Ų42.929%0.29123%0.226SC..Hα-helixtrans-67.1-27.5179.5-65-60-85.200112.8L1546 W1553 I1633 K1634L1546-M1630 HydrophobicContact CD2-CE 3.68Å; L1546-M1630 HydrophobicContact CD2-SD 3.8Å; W1553-M1630 HydrophobicContact CH2-CB 4.23Å; W1553-M1630 HydrophobicContact CH2-CE 3.59Å; W1553-M1630 HydrophobicContact CH2-SD 4.46Å; W1553-M1630 HydrophobicContact CZ3-CE 4.01Å; M1630-I1633 HydrophobicContact SD-CD1 4.15Å; M1630-K1634 VanDerWaalsContact O-CB 3.26Å; M1630-K1634 WeakPolarHBondContact O-CB 3.48Å; M1630-K1634 PolarHBondContact O-N 3.05Å
1631D88.2Confident88.7Confident128 Ų12844.1 Ų44.168%0.68423%0.227SC*.Hα-helixtrans-74-40.5178.2-72.8-36000111D1629 K1634 S1635D1629-D1631 VanDerWaalsContact C-N 3.27Å; D1629-D1631 PolarHBondContact O-N 3.29Å; D1629-D1631 PolarHBondContact OD1-N 3.26Å; D1631-K1634 PolarHBondContact O-N 2.73Å; D1631-S1635 VanDerWaalsContact O-CB 3.3Å; D1631-S1635 WeakPolarHBondContact O-CB 3.24Å; D1631-S1635 PolarHBondContact O-N 3.37Å
1632A88.6Confident88.5Confident12 Ų1244.1 Ų44.110%0.09923%0.227CC..Hα-helixtrans-63.6-45.5172.300000111.9L1509 D1629 K1634 S1635 W1636L1509-A1632 HydrophobicContact CD1-CB 4.41Å; D1629-A1632 HydrophobicContact CB-CB 3.95Å; D1629-A1632 PolarHBondContact O-N 2.97Å; D1629-A1632 PolarHBondContact OD1-N 3.24Å; D1629-A1632 WeakPolarHBondContact OD2-CB 3.44Å; A1632-K1634 PolarHBondContact O-N 3.05Å; A1632-S1635 WeakPolarHBondContact O-CB 3.29Å; A1632-S1635 PolarHBondContact O-N 3.17Å; A1632-S1635 VanDerWaalsContact O-N 3.14Å; A1632-W1636 HydrophobicContact CB-CH2 3.96Å; A1632-W1636 HydrophobicContact CB-CZ2 3.92Å; A1632-W1636 HydrophobicContact CB-CZ3 4.31Å; A1632-W1636 VanDerWaalsContact O-CD2 3.29Å; A1632-W1636 VanDerWaalsContact O-CG 3.3Å; A1632-W1636 PolarHBondContact O-N 3.29Å
1633I90.7Very high88.3Confident2 Ų246.3 Ų46.31%0.0123%0.232CC..Hα-helixtrans-57.7-50.3176.5-67.7168.3000110.3L1550 W1553 L1628 D1629 M1630 S1635 W1636 C1637L1550-I1633 HydrophobicContact CD2-CG2 3.46Å; L1550-I1633 VanDerWaalsContact CD2-CG2 3.46Å; W1553-I1633 HydrophobicContact CE3-CG2 4.06Å; W1553-I1633 HydrophobicContact CZ3-CB 4.3Å; W1553-I1633 HydrophobicContact CZ3-CG2 3.86Å; L1628-I1633 HydrophobicContact CB-CD1 4.29Å; L1628-I1633 HydrophobicContact CD1-CD1 4.34Å; D1629-I1633 VanDerWaalsContact O-CG1 3.32Å; D1629-I1633 WeakPolarHBondContact O-CG1 3.28Å; D1629-I1633 PolarHBondContact O-N 2.57Å; D1629-I1633 VanDerWaalsContact O-N 3.09Å; M1630-I1633 HydrophobicContact SD-CD1 4.15Å; I1633-S1635 VanDerWaalsContact C-N 3.28Å; I1633-S1635 PolarHBondContact O-N 2.78Å; I1633-W1636 HydrophobicContact CG1-CE3 4.3Å; I1633-W1636 HydrophobicContact CG1-CZ3 4.12Å; I1633-W1636 PolarHBondContact O-N 2.96Å; I1633-C1637 WeakPolarHBondContact O-CB 3.4Å; I1633-C1637 PolarHBondContact O-N 2.91Å; I1633-C1637 PolarHBondContact O-SG 3.29Å
1634K90.1Very high88Confident108 Ų10843.8 Ų43.847%0.4723%0.225SC..Hα-helixtrans-58.2-40.4176.6-177.1177.1-178.4-179.30112.2W1553 M1630 D1631 A1632 S1638W1553-K1634 HydrophobicContact CD2-CB 3.77Å; W1553-K1634 HydrophobicContact CD2-CD 4.33Å; W1553-K1634 HydrophobicContact CD2-CG 3.79Å; W1553-K1634 HydrophobicContact CE3-CB 3.81Å; W1553-K1634 HydrophobicContact CE3-CG 4.35Å; W1553-K1634 HydrophobicContact CG-CB 4.32Å; W1553-K1634 HydrophobicContact CG-CG 3.9Å; W1553-K1634 HydrophobicContact CH2-CB 4.2Å; W1553-K1634 HydrophobicContact CZ2-CB 4.22Å; W1553-K1634 HydrophobicContact CZ2-CD 4.13Å; W1553-K1634 HydrophobicContact CZ2-CG 4.4Å; W1553-K1634 HydrophobicContact CZ3-CB 4.03Å; M1630-K1634 VanDerWaalsContact O-CB 3.26Å; M1630-K1634 WeakPolarHBondContact O-CB 3.48Å; M1630-K1634 PolarHBondContact O-N 3.05Å; D1631-K1634 PolarHBondContact O-N 2.73Å; A1632-K1634 PolarHBondContact O-N 3.05Å; K1634-S1638 PolarHBondContact O-N 3.38Å; K1634-S1638 VanDerWaalsContact O-N 3.15Å
1635S86.6Confident87.5Confident30 Ų3044.7 Ų44.721%0.2123%0.23CC..Hα-helixtrans-62.1-48.2175.3-176.80000111.7D1631 A1632 I1633 C1637 S1638D1631-S1635 VanDerWaalsContact O-CB 3.3Å; D1631-S1635 WeakPolarHBondContact O-CB 3.24Å; D1631-S1635 PolarHBondContact O-N 3.37Å; A1632-S1635 WeakPolarHBondContact O-CB 3.29Å; A1632-S1635 PolarHBondContact O-N 3.17Å; A1632-S1635 VanDerWaalsContact O-N 3.14Å; I1633-S1635 VanDerWaalsContact C-N 3.28Å; I1633-S1635 PolarHBondContact O-N 2.78Å; S1635-C1637 PolarHBondContact O-N 3.15Å; S1635-S1638 WeakPolarHBondContact O-CA 3.46Å; S1635-S1638 WeakPolarHBondContact O-CB 3.34Å; S1635-S1638 PolarHBondContact O-N 2.91Å; S1635-S1638 PolarHBondContact O-OG 3.14Å
1636W90.7Very high87Confident2 Ų244.9 Ų44.91%0.00823%0.23CC..Hα-helixtrans-64.1-41.6177.5-59.9-34.2000112.5F1445 V1467 L1509 A1513 L1516 A1632 I1633 S1638 L1639 V1642F1445-W1636 HydrophobicContact CB-CZ2 4.18Å; F1445-W1636 HydrophobicContact CD1-CH2 4.34Å; F1445-W1636 AromaticContact CD1-CZ2 3.97Å; F1445-W1636 HydrophobicContact CD1-CZ2 3.97Å; F1445-W1636 PolarHBondContact O-NE1 2.93Å; V1467-W1636 HydrophobicContact CG1-CD2 4.05Å; V1467-W1636 HydrophobicContact CG1-CE3 4.49Å; V1467-W1636 HydrophobicContact CG1-CG 4.39Å; V1467-W1636 HydrophobicContact CG1-CZ2 4.22Å; V1467-W1636 HydrophobicContact CG2-CB 4.19Å; V1467-W1636 HydrophobicContact CG2-CD2 4.07Å; V1467-W1636 HydrophobicContact CG2-CE3 4.2Å; V1467-W1636 HydrophobicContact CG2-CG 4.08Å; L1509-W1636 HydrophobicContact CD1-CH2 3.86Å; L1509-W1636 HydrophobicContact CD1-CZ2 3.73Å; L1509-W1636 HydrophobicContact CG-CH2 4.48Å; L1509-W1636 HydrophobicContact CG-CZ2 4.47Å; A1513-W1636 HydrophobicContact CB-CE3 4.45Å; A1513-W1636 HydrophobicContact CB-CH2 3.85Å; A1513-W1636 HydrophobicContact CB-CZ3 3.74Å; L1516-W1636 HydrophobicContact CD2-CB 3.86Å; L1516-W1636 HydrophobicContact CD2-CE3 4.08Å; A1632-W1636 HydrophobicContact CB-CH2 3.96Å; A1632-W1636 HydrophobicContact CB-CZ2 3.92Å; A1632-W1636 HydrophobicContact CB-CZ3 4.31Å; A1632-W1636 VanDerWaalsContact O-CD2 3.29Å; A1632-W1636 VanDerWaalsContact O-CG 3.3Å; A1632-W1636 PolarHBondContact O-N 3.29Å; I1633-W1636 HydrophobicContact CG1-CE3 4.3Å; I1633-W1636 HydrophobicContact CG1-CZ3 4.12Å; I1633-W1636 PolarHBondContact O-N 2.96Å; W1636-S1638 PolarHBondContact O-N 3.4Å; W1636-S1638 VanDerWaalsContact O-N 3.15Å; W1636-L1639 WeakPolarHBondContact O-CB 3.48Å; W1636-L1639 WeakPolarHBondContact O-CG 3.44Å; W1636-L1639 PolarHBondContact O-N 3.46Å; W1636-V1642 WeakPolarHBondContact O-CB 3.35Å; W1636-V1642 WeakPolarHBondContact O-CG2 3.49Å
1637C88.7Confident86.4Confident0 Ų046.1 Ų46.10%023%0.232CC..Hα-helixtrans-60-22.9173.2-66.60000112.9W1553 L1554 I1633 S1635 R1643W1553-C1637 HydrophobicContact CB-CB 3.67Å; L1554-C1637 HydrophobicContact CD2-CB 3.77Å; L1554-C1637 HydrophobicContact CG-CB 4.01Å; I1633-C1637 WeakPolarHBondContact O-CB 3.4Å; I1633-C1637 PolarHBondContact O-N 2.91Å; I1633-C1637 PolarHBondContact O-SG 3.29Å; S1635-C1637 PolarHBondContact O-N 3.15Å; C1637-R1643 PolarHBondContact O-NE 3.12Å
1638S84.4Confident85.6Confident64 Ų6449.3 Ų49.345%0.44825%0.251SS..Hα-helixtrans-81-15.3177.384.20000114.3K1634 S1635 W1636K1634-S1638 PolarHBondContact O-N 3.38Å; K1634-S1638 VanDerWaalsContact O-N 3.15Å; S1635-S1638 WeakPolarHBondContact O-CA 3.46Å; S1635-S1638 WeakPolarHBondContact O-CB 3.34Å; S1635-S1638 PolarHBondContact O-N 2.91Å; S1635-S1638 PolarHBondContact O-OG 3.14Å; W1636-S1638 PolarHBondContact O-N 3.4Å; W1636-S1638 VanDerWaalsContact O-N 3.15Å
1639L85.6Confident84.4Confident25 Ų2559.5 Ų59.513%0.13129%0.289CS..SBendtrans-69.8134.2-178.5-62.1174.9000111.6S1448 W1636 K1641 V1642 R1643S1448-L1639 WeakPolarHBondContact OG-CD2 3.47Å; W1636-L1639 WeakPolarHBondContact O-CB 3.48Å; W1636-L1639 WeakPolarHBondContact O-CG 3.44Å; W1636-L1639 PolarHBondContact O-N 3.46Å; L1639-K1641 VanDerWaalsContact C-N 3.28Å; L1639-K1641 PolarHBondContact O-N 3.04Å; L1639-V1642 HydrophobicContact CB-CB 4.34Å; L1639-V1642 HydrophobicContact CB-CG2 4.14Å; L1639-V1642 HydrophobicContact CD1-CG2 4.39Å; L1639-V1642 PolarHBondContact O-N 3.08Å; L1639-R1643 PolarHBondContact O-N 2.89Å; L1639-R1643 VanDerWaalsContact O-N 3.14Å
1640H81.6Confident83.2Confident160 Ų16066 Ų6674%0.74132%0.319SS*.Hα-helixtrans-56.4-41.6177.6-178.6-86.8000112.3V1642 R1643 S1644H1640-V1642 PolarHBondContact O-N 3.12Å; H1640-R1643 PolarHBondContact O-N 3.34Å; H1640-S1644 WeakPolarHBondContact O-CB 3.34Å; H1640-S1644 PolarHBondContact O-N 3.09Å
1641K82.8Confident81.8Confident76 Ų7664.5 Ų64.533%0.3331%0.312SS..Hα-helixtrans-63.1-40.8-178.9-167.3166.8-177.3176.50112.8G1463 I1464 L1639 S1644 L1645G1463-K1641 PolarHBondContact O-NZ 3.29Å; I1464-K1641 PolarHBondContact O-NZ 2.99Å; L1639-K1641 VanDerWaalsContact C-N 3.28Å; L1639-K1641 PolarHBondContact O-N 3.04Å; K1641-S1644 PolarHBondContact O-N 3.46Å; K1641-L1645 WeakPolarHBondContact O-CG 3.29Å; K1641-L1645 PolarHBondContact O-N 3.22Å; K1641-L1645 VanDerWaalsContact O-N 3.11Å
1642V84.4Confident80.4Confident0 Ų060 Ų600%029%0.29CS..Hα-helixtrans-65-45.1175.5170.50000110.4C1466 L1468 L1554 W1636 L1639 H1640 S1644 L1645 M1646C1466-V1642 HydrophobicContact CB-CG2 3.78Å; L1468-V1642 HydrophobicContact CD1-CG1 3.85Å; L1468-V1642 HydrophobicContact CG-CG1 4.48Å; L1554-V1642 HydrophobicContact CD2-CG1 3.79Å; W1636-V1642 WeakPolarHBondContact O-CB 3.35Å; W1636-V1642 WeakPolarHBondContact O-CG2 3.49Å; L1639-V1642 HydrophobicContact CB-CB 4.34Å; L1639-V1642 HydrophobicContact CB-CG2 4.14Å; L1639-V1642 HydrophobicContact CD1-CG2 4.39Å; L1639-V1642 PolarHBondContact O-N 3.08Å; H1640-V1642 PolarHBondContact O-N 3.12Å; V1642-S1644 PolarHBondContact O-N 2.99Å; V1642-L1645 PolarHBondContact O-N 3.45Å; V1642-M1646 VanDerWaalsContact O-CG 3.28Å; V1642-M1646 WeakPolarHBondContact O-CG 3.48Å; V1642-M1646 PolarHBondContact O-N 3.39Å; V1642-M1646 VanDerWaalsContact O-N 3.15Å
1643R84.7Confident79.1Confident65 Ų6564.2 Ų64.225%0.24530%0.303CS..Hα-helixtrans-64.9-37.3177.2-69.5-179176.8156.1-0.6113.1W1553 C1637 L1639 H1640 M1646 H1647W1553-R1643 PolarHBondContact O-NH2 2.91Å; C1637-R1643 PolarHBondContact O-NE 3.12Å; L1639-R1643 PolarHBondContact O-N 2.89Å; L1639-R1643 VanDerWaalsContact O-N 3.14Å; H1640-R1643 PolarHBondContact O-N 3.34Å; R1643-M1646 PolarHBondContact O-N 2.77Å; R1643-H1647 PolarHBondContact O-CD2 3.14Å; R1643-H1647 PolarHBondContact O-N 3.18Å
1644S82Confident77.6Confident43 Ų4365.7 Ų65.730%0.30131%0.309SS..Hα-helixtrans-61.4-53.9175-163.50000110.9H1640 K1641 V1642 M1646 H1647 D1648H1640-S1644 WeakPolarHBondContact O-CB 3.34Å; H1640-S1644 PolarHBondContact O-N 3.09Å; K1641-S1644 PolarHBondContact O-N 3.46Å; V1642-S1644 PolarHBondContact O-N 2.99Å; S1644-M1646 PolarHBondContact O-N 3.47Å; S1644-H1647 CarbonylContact O-C 3.41Å; S1644-H1647 WeakPolarHBondContact O-CA 3.39Å; S1644-H1647 PolarHBondContact O-N 3.22Å; S1644-D1648 WeakPolarHBondContact O-CB 3.45Å; S1644-D1648 VanDerWaalsContact O-CG 3.25Å; S1644-D1648 PolarHBondContact O-N 3.08Å; S1644-D1648 VanDerWaalsContact O-OD2 3.06Å; S1644-D1648 PolarHBondContact OG-OD2 3.45Å
1645L80.8Confident75.9Confident18 Ų1861.6 Ų61.69%0.09429%0.294CS..Hα-helixtrans-57.1-36.1179.3-69.9168.1000112.7C1466 Q1469 K1641 V1642 R1649 E1650C1466-L1645 WeakPolarHBondContact SG-CD1 3.26Å; Q1469-L1645 HydrophobicContact CG-CD1 3.66Å; K1641-L1645 WeakPolarHBondContact O-CG 3.29Å; K1641-L1645 PolarHBondContact O-N 3.22Å; K1641-L1645 VanDerWaalsContact O-N 3.11Å; V1642-L1645 PolarHBondContact O-N 3.45Å; L1645-R1649 PolarHBondContact O-N 3.33Å; L1645-E1650 HydrophobicContact CD2-CB 4.41Å; L1645-E1650 PolarHBondContact O-N 2.97Å
1646M81.2Confident74.7Confident13 Ų1361 Ų616%0.06429%0.288CS..Hα-helixtrans-68.6-38.3174.1-70.8-62.4-64.700113.2L1468 C1520 L1554 L1556 L1560 P1561 V1642 R1643 S1644 L1651L1468-M1646 HydrophobicContact CD1-CG 4.47Å; L1468-M1646 HydrophobicContact CD1-SD 4.44Å; C1520-M1646 HydrophobicContact CB-CE 4.3Å; C1520-M1646 HydrophobicContact CB-SD 3.52Å; C1520-M1646 VanDerWaalsContact CB-SD 3.52Å; C1520-M1646 PolarHBondContact SG-SD 3.06Å; L1554-M1646 HydrophobicContact CD1-CE 4.34Å; L1554-M1646 HydrophobicContact CD2-CG 4.41Å; L1556-M1646 HydrophobicContact CD1-CE 3.87Å; L1556-M1646 HydrophobicContact CD2-CB 4.09Å; L1556-M1646 HydrophobicContact CD2-CE 4.06Å; L1560-M1646 HydrophobicContact CD2-CE 4.29Å; P1561-M1646 HydrophobicContact CG-CE 3.95Å; V1642-M1646 VanDerWaalsContact O-CG 3.28Å; V1642-M1646 WeakPolarHBondContact O-CG 3.48Å; V1642-M1646 PolarHBondContact O-N 3.39Å; V1642-M1646 VanDerWaalsContact O-N 3.15Å; R1643-M1646 PolarHBondContact O-N 2.77Å; S1644-M1646 PolarHBondContact O-N 3.47Å; M1646-L1651 HydrophobicContact CG-CD2 4.48Å; M1646-L1651 HydrophobicContact SD-CD1 4.3Å; M1646-L1651 HydrophobicContact SD-CD2 3.49Å; M1646-L1651 WeakPolarHBondContact SD-CD2 3.25Å
1647H76.9Confident73.3Confident124 Ų12462.2 Ų62.257%0.57430%0.296SS*.Hα-helixtrans-71.3-42.9176.1-94.5-69.9000112.5R1643 S1644 R1649R1643-H1647 PolarHBondContact O-CD2 3.14Å; R1643-H1647 PolarHBondContact O-N 3.18Å; S1644-H1647 CarbonylContact O-C 3.41Å; S1644-H1647 WeakPolarHBondContact O-CA 3.39Å; S1644-H1647 PolarHBondContact O-N 3.22Å; H1647-R1649 PolarHBondContact O-N 3.22Å
1648D74.2Confident72.3Confident94 Ų9467.1 Ų67.150%0.50332%0.318SS..Hα-helixtrans-75.4-9.1-176.1-59.5-34.9000112.2S1644 E1650S1644-D1648 WeakPolarHBondContact O-CB 3.45Å; S1644-D1648 VanDerWaalsContact O-CG 3.25Å; S1644-D1648 PolarHBondContact O-N 3.08Å; S1644-D1648 VanDerWaalsContact O-OD2 3.06Å; S1644-D1648 PolarHBondContact OG-OD2 3.45Å; D1648-E1650 HydrophobicContact CB-CG 4.1Å; D1648-E1650 PolarHBondContact O-N 3.28Å; D1648-E1650 VanDerWaalsContact O-N 3.11Å
1649R68.9Low71.8Confident219 Ų21965.1 Ų65.183%0.82630%0.304SS*.THydrogen-bonded Turntrans5322.7-172.7-65.5-164.1176.9-151.60.1113.9L1645 H1647 L1651L1645-R1649 PolarHBondContact O-N 3.33Å; H1647-R1649 PolarHBondContact O-N 3.22Å; R1649-L1651 PolarHBondContact O-N 3.41Å
1650E64.1Low71.3Confident144 Ų14466.8 Ų66.867%0.67331%0.311SS*.  trans-8152.4172.6-65.2-169.1162.300111.1L1645 D1648L1645-E1650 HydrophobicContact CD2-CB 4.41Å; L1645-E1650 PolarHBondContact O-N 2.97Å; D1648-E1650 HydrophobicContact CB-CG 4.1Å; D1648-E1650 PolarHBondContact O-N 3.28Å; D1648-E1650 VanDerWaalsContact O-N 3.11Å
1651L62.8Low71.3Confident27 Ų2767.2 Ų67.214%0.14131%0.306CS..PPolyproline II helixtrans-88.4147-172.2-62.6162000111C1520 P1561 M1646 R1649C1520-L1651 HydrophobicContact CB-CD2 4.43Å; C1520-L1651 VanDerWaalsContact O-CD1 3.24Å; C1520-L1651 WeakPolarHBondContact O-CD1 3.5Å; C1520-L1651 WeakPolarHBondContact O-CD2 3.31Å; C1520-L1651 WeakPolarHBondContact O-CG 3.43Å; P1561-L1651 HydrophobicContact CB-CD1 4.26Å; P1561-L1651 HydrophobicContact CG-CD1 3.56Å; M1646-L1651 HydrophobicContact CG-CD2 4.48Å; M1646-L1651 HydrophobicContact SD-CD1 4.3Å; M1646-L1651 HydrophobicContact SD-CD2 3.49Å; M1646-L1651 WeakPolarHBondContact SD-CD2 3.25Å; R1649-L1651 PolarHBondContact O-N 3.41Å
1652P58.6Low71.6Confident33 Ų3363.9 Ų63.921%0.21429%0.292CS..PPolyproline II helixtrans-60.2142.9168.8-9.120.8000110.1F1152 L1468F1152-P1652 HydrophobicContact CB-CB 4.31Å; F1152-P1652 HydrophobicContact CD1-CB 3.93Å; F1152-P1652 HydrophobicContact CD2-CB 4.45Å; F1152-P1652 HydrophobicContact CG-CB 3.92Å; L1468-P1652 WeakPolarHBondContact O-CG 3.34Å
1653R61.2Low71.8Confident101 Ų10165.3 Ų65.338%0.38130%0.299SS..BIsolated β-bridgetrans-60.1150.6164.3-76.9-173.1175149.54.9108.9F1152 D1524F1152-R1653 WeakPolarHBondContact CE1-O 3.27Å; F1152-R1653 VanDerWaalsContact CZ-O 3.22Å; F1152-R1653 WeakPolarHBondContact CZ-O 3.44Å; D1524-R1653 IonicContact OD2-CZ 3.13Å; D1524-R1653 IonicContact OD2-NE 3.69Å; D1524-R1653 IonicContact OD2-NH2 2.7Å
1654F60.1Low71.8Confident33 Ų3369.7 Ų69.715%0.14533%0.328CS..  trans-21.5128.8175.4-172.3-114000114.9F1152 S1522 T1523 I1571 A1575 I1656F1152-F1654 WeakPolarHBondContact CZ-O 3.44Å; S1522-F1654 PolarHBondContact O-N 3.4Å; T1523-F1654 HydrophobicContact CG2-CB 4.21Å; T1523-F1654 HydrophobicContact CG2-CD2 3.8Å; T1523-F1654 HydrophobicContact CG2-CG 4.18Å; I1571-F1654 HydrophobicContact CB-CE2 4.45Å; I1571-F1654 HydrophobicContact CG2-CD2 3.83Å; I1571-F1654 HydrophobicContact CG2-CE1 4.49Å; I1571-F1654 HydrophobicContact CG2-CE2 3.03Å; I1571-F1654 HydrophobicContact CG2-CZ 3.41Å; I1571-F1654 VanDerWaalsContact CG2-CZ 3.41Å; A1575-F1654 HydrophobicContact CB-CE2 4.07Å; A1575-F1654 HydrophobicContact CB-CZ 3.72Å; F1654-I1656 HydrophobicContact CD1-CB 3.83Å; F1654-I1656 HydrophobicContact CD1-CG1 4.29Å; F1654-I1656 HydrophobicContact CE1-CB 3.63Å; F1654-I1656 HydrophobicContact CE1-CD1 3.48Å; F1654-I1656 VanDerWaalsContact CE1-CD1 3.48Å; F1654-I1656 HydrophobicContact CE1-CG1 3.66Å; F1654-I1656 HydrophobicContact CZ-CD1 3.92Å; F1654-I1656 HydrophobicContact CZ-CG1 4.25Å; F1654-I1656 PolarHBondContact O-N 3.46Å
1655P54.1Low72.2Confident22 Ų2268.6 Ų68.614%0.14332%0.318CS..SBendtrans-63.2-10.1-166.618.3-29000116.6F1152 L1514 I1518 A1575F1152-P1655 VanDerWaalsContact CE2-CA 3.41Å; F1152-P1655 HydrophobicContact CE2-CB 4.13Å; L1514-P1655 HydrophobicContact CD1-CB 4.33Å; I1518-P1655 HydrophobicContact CB-CG 4.37Å; I1518-P1655 HydrophobicContact CG1-CG 3.44Å; I1518-P1655 VanDerWaalsContact CG1-CG 3.44Å; A1575-P1655 HydrophobicContact CB-CG 4.5Å
1656I60.5Low72.5Confident17 Ų1769.4 Ų69.49%0.08733%0.325CS..  trans-89107170-58.8171.5000109.1E1574 A1575 K1578 F1654 H1658E1574-I1656 HydrophobicContact CG-CD1 4.25Å; A1575-I1656 VanDerWaalsContact CA-CD1 3.4Å; A1575-I1656 HydrophobicContact CB-CD1 4.13Å; A1575-I1656 HydrophobicContact CB-CG1 4.32Å; K1578-I1656 HydrophobicContact CB-CD1 4.09Å; K1578-I1656 HydrophobicContact CB-CG1 4.38Å; K1578-I1656 HydrophobicContact CD-CD1 4.11Å; K1578-I1656 HydrophobicContact CD-CG1 4.23Å; K1578-I1656 HydrophobicContact CD-CG2 3.59Å; F1654-I1656 HydrophobicContact CD1-CB 3.83Å; F1654-I1656 HydrophobicContact CD1-CG1 4.29Å; F1654-I1656 HydrophobicContact CE1-CB 3.63Å; F1654-I1656 HydrophobicContact CE1-CD1 3.48Å; F1654-I1656 VanDerWaalsContact CE1-CD1 3.48Å; F1654-I1656 HydrophobicContact CE1-CG1 3.66Å; F1654-I1656 HydrophobicContact CZ-CD1 3.92Å; F1654-I1656 HydrophobicContact CZ-CG1 4.25Å; F1654-I1656 PolarHBondContact O-N 3.46Å; I1656-H1658 PolarHBondContact O-N 2.91Å
1657V62Low72.7Confident28 Ų2875.1 Ų75.117%0.1736%0.355CS..PPolyproline II helixtrans-76.6118.9165.5-162.80000107.5Y1131 F1152 F1154Y1131-V1657 HydrophobicContact CD1-CB 3.97Å; Y1131-V1657 HydrophobicContact CD1-CG1 3.72Å; Y1131-V1657 WeakPolarHBondContact CE1-O 3.31Å; Y1131-V1657 HydrophobicContact CG-CG1 4.33Å; F1152-V1657 HydrophobicContact CE1-CG2 4.09Å; F1152-V1657 HydrophobicContact CE2-CG2 4.35Å; F1152-V1657 HydrophobicContact CZ-CG2 3.77Å; F1154-V1657 HydrophobicContact CD2-CG2 4.49Å; F1154-V1657 HydrophobicContact CE2-CG2 4.29Å
1658H68.6Low73.1Confident103 Ų10373 Ų7348%0.47734%0.344SS..PPolyproline II helixtrans-87.5150.3171.8-67.3-75.3000110.6I1656 E1660I1656-H1658 PolarHBondContact O-N 2.91Å; H1658-E1660 PolarHBondContact O-N 3.4Å
1659P73.8Confident73.7Confident23 Ų2368.6 Ų68.615%0.14932%0.321CS..PPolyproline II helixtrans-62.7134.5170.727.2-33.8000110V1130 Y1131 L1401V1130-P1659 HydrophobicContact CG1-CB 3.48Å; V1130-P1659 VanDerWaalsContact CG1-CB 3.48Å; Y1131-P1659 HydrophobicContact CE1-CB 4.36Å; L1401-P1659 HydrophobicContact CD1-CG 4.42Å
1660E73.3Confident74.1Confident60 Ų6059.1 Ų59.128%0.2829%0.286SS..PPolyproline II helixtrans-66.8143.1175-78.1-77.5175.800110.5V1130 R1132 R1134 H1658 W1790V1130-E1660 PolarHBondContact O-N 3.15Å; R1132-E1660 VanDerWaalsContact O-CG 3.24Å; R1132-E1660 WeakPolarHBondContact O-CG 3.35Å; R1134-E1660 IonicContact CZ-OE2 3.97Å; R1134-E1660 IonicContact NE-OE2 3.23Å; R1134-E1660 IonicContact NH1-OE2 2.71Å; H1658-E1660 PolarHBondContact O-N 3.4Å; E1660-W1790 WeakPolarHBondContact O-CZ3 3.33Å
1661R82.3Confident74.7Confident168 Ų16856.4 Ų56.463%0.63428%0.276SS*.PPolyproline II helixtrans-93.5157.3174.7-68.1-172.7169.8-170.5-1.6111.5R1134R1134-R1661 PolarHBondContact NH1-O 2.96Å; R1134-R1661 VanDerWaalsContact NH1-O 3.11Å; R1134-R1661 PolarHBondContact NH2-O 3.14Å
1662L88.7Confident75.2Confident7 Ų755.1 Ų55.14%0.03727%0.269CS..PPolyproline II helixtrans-66.6165.2172.9-59.9177000110.6L1696 V1697 L1734 Y1783 I1786 Q1787 W1790L1662-L1696 WeakPolarHBondContact CA-O 3.43Å; L1662-L1696 WeakPolarHBondContact CB-O 3.31Å; L1662-L1696 HydrophobicContact CD2-CB 4.47Å; L1662-L1696 WeakPolarHBondContact CD2-O 3.5Å; L1662-V1697 HydrophobicContact CD2-CG2 3.99Å; L1662-L1734 HydrophobicContact CD1-CD2 3.51Å; L1662-L1734 HydrophobicContact CD2-CD2 3.49Å; L1662-L1734 VanDerWaalsContact CD2-CD2 3.49Å; L1662-L1734 HydrophobicContact CG-CD2 4.16Å; L1662-Y1783 HydrophobicContact CB-CE1 4.26Å; L1662-Y1783 WeakPolarHBondContact CB-OH 3.32Å; L1662-Y1783 HydrophobicContact CD1-CE2 4.3Å; L1662-I1786 HydrophobicContact CD1-CG2 4.35Å; L1662-Q1787 HydrophobicContact CD1-CB 4Å; L1662-Q1787 HydrophobicContact CD1-CG 4.3Å; L1662-Q1787 HydrophobicContact CG-CB 4.39Å; L1662-Q1787 HydrophobicContact CG-CG 4.14Å; L1662-W1790 HydrophobicContact CD2-CD2 3.87Å; L1662-W1790 HydrophobicContact CD2-CE3 3.4Å; L1662-W1790 VanDerWaalsContact CD2-CE3 3.4Å; L1662-W1790 HydrophobicContact CD2-CH2 4.2Å; L1662-W1790 HydrophobicContact CD2-CZ3 3.56Å; L1662-W1790 HydrophobicContact CG-CE3 3.84Å; L1662-W1790 HydrophobicContact CG-CZ3 4.12Å
1663I88.3Confident76.1Confident29 Ų2955.1 Ų55.115%0.14927%0.267CS..PPolyproline II helixtrans-63.6156.8-179.767.1178.3000112.2L1665 V1694 L1696 Y1783I1663-L1665 HydrophobicContact CD1-CD2 4.21Å; I1663-L1665 HydrophobicContact CG1-CD2 4.23Å; I1663-V1694 HydrophobicContact CD1-CG1 3.72Å; I1663-L1696 HydrophobicContact CD1-CD2 4.24Å; I1663-L1696 HydrophobicContact CG1-CD2 4.29Å; I1663-L1696 PolarHBondContact N-O 2.78Å; I1663-Y1783 WeakPolarHBondContact O-CE1 3.34Å; I1663-Y1783 PolarHBondContact O-OH 3.26Å
1664N86.4Confident76.4Confident158 Ų15853.8 Ų53.885%0.84528%0.278SS*.PPolyproline II helixtrans-75.7137.9168.8-66.1-40.1000110.2
1665L89.4Confident76.8Confident19 Ų1955 Ų5510%0.09929%0.294CS..PPolyproline II helixtrans-102.8151.5177.3-66.7-179.9000111.6I1663 W1676 L1696 L1736 P1758 Y1759 F1778 Y1783I1663-L1665 HydrophobicContact CD1-CD2 4.21Å; I1663-L1665 HydrophobicContact CG1-CD2 4.23Å; L1665-W1676 HydrophobicContact CD2-CH2 4.46Å; L1665-L1696 HydrophobicContact CD1-CD2 4.22Å; L1665-L1696 HydrophobicContact CD2-CD2 3.79Å; L1665-L1696 HydrophobicContact CG-CD2 4.41Å; L1665-L1736 HydrophobicContact CD2-CD2 4.14Å; L1665-P1758 HydrophobicContact CD1-CG 3.7Å; L1665-Y1759 HydrophobicContact CD1-CE2 4.34Å; L1665-F1778 HydrophobicContact CB-CD2 4.07Å; L1665-F1778 HydrophobicContact CB-CE2 3.92Å; L1665-F1778 HydrophobicContact CD1-CE2 4.1Å; L1665-F1778 HydrophobicContact CG-CE2 4.5Å; L1665-Y1783 HydrophobicContact CD1-CD2 3.87Å; L1665-Y1783 HydrophobicContact CD1-CE2 3.55Å; L1665-Y1783 HydrophobicContact CD1-CG 4.48Å; L1665-Y1783 HydrophobicContact CG-CE2 4.22Å
1666P86.3Confident77.6Confident36 Ų3655.9 Ų55.923%0.23430%0.295CS..PPolyproline II helixtrans-58.2153.5173.7-25.635.3000113.5D1671 A1672 Y1759 F1778P1666-D1671 HydrophobicContact CB-CB 4.09Å; P1666-A1672 HydrophobicContact CB-CB 4.26Å; P1666-A1672 HydrophobicContact CG-CB 3.88Å; P1666-Y1759 WeakPolarHBondContact CD-OH 3.36Å; P1666-Y1759 WeakPolarHBondContact O-CE1 3.24Å; P1666-Y1759 PolarHBondContact O-OH 3.48Å; P1666-Y1759 VanDerWaalsContact O-OH 3.12Å; P1666-F1778 WeakPolarHBondContact O-CB 3.39Å
1667L87Confident77.6Confident133 Ų13358.7 Ų58.770%0.69632%0.321SS*.SBendtrans-74.1-35.5-179.8-73.4173.1000113.2F1777 F1778L1667-F1777 WeakPolarHBondContact O-CA 3.33Å; L1667-F1778 HydrophobicContact CD2-CD1 4.43Å; L1667-F1778 WeakPolarHBondContact O-CB 3.37Å; L1667-F1778 PolarHBondContact O-N 3.38Å
1668K84.4Confident77.4Confident78 Ų7861.9 Ų61.934%0.33934%0.344SS..BIsolated β-bridgetrans-110.1140.1173-63-176.1177.7-169.50109.1D1670 D1671 F1777K1668-D1670 HydrophobicContact CB-CB 4.49Å; K1668-D1670 PolarHBondContact O-N 3.48Å; K1668-D1671 PolarHBondContact O-N 2.95Å; K1668-F1777 HydrophobicContact CD-CE1 4.43Å; K1668-F1777 HydrophobicContact CG-CD1 4.06Å; K1668-F1777 HydrophobicContact CG-CE1 4.15Å
1669Y86.7Confident77.1Confident3 Ų358.7 Ų58.71%0.01233%0.333CS..Hα-helixtrans-64.4-29.3175.9-162.6-104.4000112D1671 A1672 L1673 R1737 I1738 C1741 Y1759 L1770 L1776Y1669-D1671 VanDerWaalsContact C-N 3.33Å; Y1669-D1671 PolarHBondContact O-N 2.95Å; Y1669-A1672 HydrophobicContact CD2-CB 4.44Å; Y1669-A1672 CarbonylContact O-C 3.55Å; Y1669-A1672 WeakPolarHBondContact O-CA 3.5Å; Y1669-A1672 WeakPolarHBondContact O-CB 3.43Å; Y1669-A1672 PolarHBondContact O-N 3.44Å; Y1669-L1673 HydrophobicContact CD1-CD1 4.02Å; Y1669-L1673 HydrophobicContact CD1-CD2 4.5Å; Y1669-L1673 HydrophobicContact CD1-CG 3.93Å; Y1669-L1673 HydrophobicContact CE1-CD1 4.17Å; Y1669-L1673 HydrophobicContact CE1-CD2 3.9Å; Y1669-L1673 HydrophobicContact CE1-CG 3.82Å; Y1669-L1673 PolarHBondContact O-N 3.24Å; Y1669-R1737 PolarHBondContact OH-O 2.82Å; Y1669-I1738 VanDerWaalsContact OH-C 3.28Å; Y1669-I1738 WeakPolarHBondContact OH-CA 3.27Å; Y1669-I1738 PolarHBondContact OH-O 3.47Å; Y1669-C1741 HydrophobicContact CE1-CB 3.94Å; Y1669-C1741 HydrophobicContact CE2-CB 4.06Å; Y1669-C1741 VanDerWaalsContact CE2-SG 3.51Å; Y1669-C1741 VanDerWaalsContact OH-CA 3.28Å; Y1669-C1741 WeakPolarHBondContact OH-CA 3.29Å; Y1669-C1741 PolarHBondContact OH-N 3.08Å; Y1669-Y1759 AromaticContact CD2-CD1 3.83Å; Y1669-Y1759 HydrophobicContact CD2-CD1 3.83Å; Y1669-Y1759 AromaticContact CD2-CD2 3.5Å; Y1669-Y1759 HydrophobicContact CD2-CD2 3.5Å; Y1669-Y1759 AromaticContact CD2-CE1 3.9Å; Y1669-Y1759 HydrophobicContact CD2-CE1 3.9Å; Y1669-Y1759 AromaticContact CD2-CE2 3.57Å; Y1669-Y1759 HydrophobicContact CD2-CE2 3.57Å; Y1669-Y1759 AromaticContact CD2-CG 3.62Å; Y1669-Y1759 HydrophobicContact CD2-CG 3.62Å; Y1669-Y1759 AromaticContact CD2-CZ 3.75Å; Y1669-Y1759 AromaticContact CE2-CD2 3.94Å; Y1669-Y1759 HydrophobicContact CE2-CD2 3.94Å; Y1669-Y1759 AromaticContact CE2-CE2 3.97Å; Y1669-Y1759 HydrophobicContact CE2-CE2 3.97Å; Y1669-Y1759 HydrophobicContact CE2-CG 4.44Å; Y1669-Y1759 HydrophobicContact CG-CD1 4.29Å; Y1669-Y1759 HydrophobicContact CG-CE1 4.5Å; Y1669-Y1759 HydrophobicContact CG-CG 4.33Å; Y1669-L1770 HydrophobicContact CD1-CD2 4.25Å; Y1669-L1770 HydrophobicContact CE1-CD1 4.03Å; Y1669-L1770 HydrophobicContact CE1-CD2 4.06Å; Y1669-L1776 HydrophobicContact CD1-CD1 4.45Å; Y1669-L1776 HydrophobicContact CG-CD1 4.43Å; Y1669-L1776 PolarHBondContact N-O 2.96Å
1670D77.1Confident76.4Confident19 Ų1963 Ų6310%0.10235%0.349CS..Hα-helixtrans-57-44.5176.1-49.9-13.5000111.8Y141 I143 K1668 A1672 L1673 A1674Y141-D1670 PolarHBondContact OH-OD2 3.09Å; I143-D1670 VanDerWaalsContact CD1-CG 3.46Å; I143-D1670 WeakPolarHBondContact CD1-OD1 3.24Å; K1668-D1670 HydrophobicContact CB-CB 4.49Å; K1668-D1670 PolarHBondContact O-N 3.48Å; D1670-A1672 PolarHBondContact O-N 2.97Å; D1670-L1673 PolarHBondContact O-N 2.91Å; D1670-A1674 WeakPolarHBondContact O-CB 3.38Å; D1670-A1674 PolarHBondContact O-N 3.19Å
1671D77.2Confident75.9Confident87 Ų8760.1 Ų60.147%0.46534%0.336SS..Hα-helixtrans-62.5-33.1176.2-61.3-31000110.7P1666 K1668 Y1669 A1675P1666-D1671 HydrophobicContact CB-CB 4.09Å; K1668-D1671 PolarHBondContact O-N 2.95Å; Y1669-D1671 VanDerWaalsContact C-N 3.33Å; Y1669-D1671 PolarHBondContact O-N 2.95Å; D1671-A1675 WeakPolarHBondContact O-CB 3.3Å; D1671-A1675 PolarHBondContact O-N 3.42Å
1672A74.2Confident74.5Confident0 Ų056.3 Ų56.30%033%0.333CS..Hα-helixtrans-70.9-46.3177.700000111.4P1666 Y1669 D1670 A1674 A1675 W1676P1666-A1672 HydrophobicContact CB-CB 4.26Å; P1666-A1672 HydrophobicContact CG-CB 3.88Å; Y1669-A1672 HydrophobicContact CD2-CB 4.44Å; Y1669-A1672 CarbonylContact O-C 3.55Å; Y1669-A1672 WeakPolarHBondContact O-CA 3.5Å; Y1669-A1672 WeakPolarHBondContact O-CB 3.43Å; Y1669-A1672 PolarHBondContact O-N 3.44Å; D1670-A1672 PolarHBondContact O-N 2.97Å; A1672-A1674 PolarHBondContact O-N 3.33Å; A1672-A1675 PolarHBondContact O-N 3.11Å; A1672-W1676 HydrophobicContact CB-CE3 3.77Å; A1672-W1676 HydrophobicContact CB-CH2 3.77Å; A1672-W1676 HydrophobicContact CB-CZ3 3.3Å; A1672-W1676 VanDerWaalsContact O-CD2 3.26Å; A1672-W1676 PolarHBondContact O-N 3.25Å; A1672-W1676 VanDerWaalsContact O-N 3.12Å
1673L75.8Confident72.8Confident33 Ų3358.8 Ų58.817%0.17335%0.351CS..Hα-helixtrans-57.3-48.5173.3-73.2173.3000110.9Y1669 D1670 W1676 A1677 I1738Y1669-L1673 HydrophobicContact CD1-CD1 4.02Å; Y1669-L1673 HydrophobicContact CD1-CD2 4.5Å; Y1669-L1673 HydrophobicContact CD1-CG 3.93Å; Y1669-L1673 HydrophobicContact CE1-CD1 4.17Å; Y1669-L1673 HydrophobicContact CE1-CD2 3.9Å; Y1669-L1673 HydrophobicContact CE1-CG 3.82Å; Y1669-L1673 PolarHBondContact O-N 3.24Å; D1670-L1673 PolarHBondContact O-N 2.91Å; L1673-W1676 PolarHBondContact O-N 3.15Å; L1673-A1677 WeakPolarHBondContact O-CB 3.37Å; L1673-A1677 PolarHBondContact O-N 2.65Å; L1673-I1738 HydrophobicContact CD2-CG2 3.67Å
1674A68.6Low71.2Confident74 Ų7460 Ų6061%0.61236%0.358SS*.Hα-helixtrans-65-43.9179.500000112.7D1670 A1672 W1676D1670-A1674 WeakPolarHBondContact O-CB 3.38Å; D1670-A1674 PolarHBondContact O-N 3.19Å; A1672-A1674 PolarHBondContact O-N 3.33Å; A1674-W1676 VanDerWaalsContact C-N 3.27Å; A1674-W1676 PolarHBondContact O-N 3.04Å
1675A68.4Low69.4Low58 Ų5854.7 Ų54.748%0.47934%0.34SS..Hα-helixtrans-63.1-32.7-179.900000112.7D1671 A1672D1671-A1675 WeakPolarHBondContact O-CB 3.3Å; D1671-A1675 PolarHBondContact O-N 3.42Å; A1672-A1675 PolarHBondContact O-N 3.11Å
1676W70.7Confident67.2Low41 Ų4156 Ų5616%0.15535%0.349CS..Hα-helixtrans-106.8-10.2-174.1-56.7-43.8000115.1L1665 A1672 L1673 A1674 S1678 C1679 V1694 L1736 I1738L1665-W1676 HydrophobicContact CD2-CH2 4.46Å; A1672-W1676 HydrophobicContact CB-CE3 3.77Å; A1672-W1676 HydrophobicContact CB-CH2 3.77Å; A1672-W1676 HydrophobicContact CB-CZ3 3.3Å; A1672-W1676 VanDerWaalsContact O-CD2 3.26Å; A1672-W1676 PolarHBondContact O-N 3.25Å; A1672-W1676 VanDerWaalsContact O-N 3.12Å; L1673-W1676 PolarHBondContact O-N 3.15Å; A1674-W1676 VanDerWaalsContact C-N 3.27Å; A1674-W1676 PolarHBondContact O-N 3.04Å; W1676-S1678 PolarHBondContact O-N 3.35Å; W1676-S1678 VanDerWaalsContact O-N 3.13Å; W1676-C1679 WeakPolarHBondContact O-CB 3.34Å; W1676-C1679 PolarHBondContact O-N 3Å; W1676-V1694 HydrophobicContact CD2-CG2 3.6Å; W1676-V1694 VanDerWaalsContact CE2-CG2 3.48Å; W1676-V1694 HydrophobicContact CE3-CG2 3.84Å; W1676-V1694 HydrophobicContact CG-CG2 4.2Å; W1676-V1694 HydrophobicContact CH2-CG2 3.84Å; W1676-V1694 HydrophobicContact CZ2-CB 4.4Å; W1676-V1694 HydrophobicContact CZ2-CG1 4.23Å; W1676-V1694 HydrophobicContact CZ2-CG2 3.64Å; W1676-V1694 HydrophobicContact CZ3-CG2 3.92Å; W1676-L1736 HydrophobicContact CH2-CD2 3.86Å; W1676-L1736 HydrophobicContact CZ3-CD2 3.86Å; W1676-I1738 HydrophobicContact CB-CD1 3.32Å; W1676-I1738 HydrophobicContact CB-CG1 4.4Å; W1676-I1738 HydrophobicContact CD2-CD1 3.78Å; W1676-I1738 HydrophobicContact CD2-CG1 4.2Å; W1676-I1738 HydrophobicContact CE3-CB 4.45Å; W1676-I1738 HydrophobicContact CE3-CD1 3.61Å; W1676-I1738 HydrophobicContact CE3-CG1 3.51Å; W1676-I1738 HydrophobicContact CE3-CG2 4.16Å; W1676-I1738 HydrophobicContact CG-CD1 3.7Å; W1676-I1738 HydrophobicContact CZ3-CG1 4.1Å
1677A60.9Low65.2Low76 Ų7656.3 Ų56.363%0.62835%0.35SS*.THydrogen-bonded Turntrans-57.1-26.9176.900000113.5L1673 C1679L1673-A1677 WeakPolarHBondContact O-CB 3.37Å; L1673-A1677 PolarHBondContact O-N 2.65Å; A1677-C1679 VanDerWaalsContact C-N 3.33Å; A1677-C1679 PolarHBondContact O-N 3.17Å
1678S58.4Low63.2Low94 Ų9454.7 Ų54.766%0.65734%0.342SS*.THydrogen-bonded Turntrans-82.3-2.9179.360.60000114.7W1676W1676-S1678 PolarHBondContact O-N 3.35Å; W1676-S1678 VanDerWaalsContact O-N 3.13Å
1679C61.1Low61.4Low36 Ų3652 Ų5224%0.24333%0.333CS..PPolyproline II helixtrans-84.6121.5-174.3-660000112.3W1676 A1677 S1689 V1701W1676-C1679 WeakPolarHBondContact O-CB 3.34Å; W1676-C1679 PolarHBondContact O-N 3Å; A1677-C1679 VanDerWaalsContact C-N 3.33Å; A1677-C1679 PolarHBondContact O-N 3.17Å; C1679-S1689 PolarHBondContact O-OG 2.91Å; C1679-V1701 HydrophobicContact CB-CB 4.22Å; C1679-V1701 HydrophobicContact CB-CG1 3.83Å; C1679-V1701 HydrophobicContact CB-CG2 4.27Å
1680K60.3Low59.6Low113 Ų11355.9 Ų55.949%0.49137%0.365SS..BIsolated β-bridgetrans-91.5155.7177.3-57.5-173.6-179.6-177.20111.8P1682 G1685 V1687K1680-P1682 WeakPolarHBondContact O-CD 3.46Å; K1680-G1685 WeakPolarHBondContact CD-O 3.41Å; K1680-V1687 CarbonylContact C-O 3.58Å; K1680-V1687 VanDerWaalsContact CA-O 3.27Å; K1680-V1687 WeakPolarHBondContact CA-O 3.37Å
1681C61.4Low58.7Low1 Ų156.2 Ų56.21%0.00737%0.368CS..PPolyproline II helixtrans-60.4128.8173.9-178.60000109.3S1683 L1684 G1685 V1687 C1703 C1709C1681-S1683 PolarHBondContact O-N 3.46Å; C1681-S1683 VanDerWaalsContact O-N 3.11Å; C1681-S1683 PolarHBondContact SG-N 3.49Å; C1681-S1683 VanDerWaalsContact SG-N 3.36Å; C1681-L1684 PolarHBondContact O-N 3.31Å; C1681-G1685 PolarHBondContact O-N 2.95Å; C1681-V1687 PolarHBondContact N-O 3.24Å; C1681-C1703 HydrophobicContact CB-CB 4.31Å; C1681-C1709 WeakPolarHBondContact CB-SG 3.48Å; C1681-C1709 WeakPolarHBondContact SG-CB 2.95Å; C1681-C1709 CovalentContact SG-SG 2.08Å; C1681-C1709 PolarHBondContact SG-SG 3.22Å
1682P52.8Low58.4Low88 Ų8852.3 Ų52.357%0.57135%0.349SS*.THydrogen-bonded Turntrans-55.8-27.6176.4-26.433.2000114.9K1680K1680-P1682 WeakPolarHBondContact O-CD 3.46Å
1683S53.4Low58.9Low59 Ų5952.3 Ų52.341%0.41335%0.349SS..THydrogen-bonded Turntrans-88.3-26.4-176.4-55.50000114.1C1681 C1709C1681-S1683 PolarHBondContact O-N 3.46Å; C1681-S1683 VanDerWaalsContact O-N 3.11Å; C1681-S1683 PolarHBondContact SG-N 3.49Å; C1681-S1683 VanDerWaalsContact SG-N 3.36Å; S1683-C1709 WeakPolarHBondContact OG-CB 3.34Å
1684L54Low59.5Low55 Ų5550.9 Ų50.929%0.28834%0.341SS..THydrogen-bonded Turntrans-106.7-17.3-176.6-67.2171.3000112.6L258 C1681 T1686 V1687 C1708L258-L1684 HydrophobicContact CD2-CD2 4Å; C1681-L1684 PolarHBondContact O-N 3.31Å; L1684-T1686 PolarHBondContact O-N 3.49Å; L1684-T1686 PolarHBondContact O-OG1 2.99Å; L1684-V1687 HydrophobicContact CB-CB 4.29Å; L1684-V1687 HydrophobicContact CB-CG2 3.85Å; L1684-V1687 HydrophobicContact CD1-CB 4.32Å; L1684-V1687 HydrophobicContact CD1-CG2 3.67Å; L1684-V1687 HydrophobicContact CG-CG2 4.39Å; L1684-C1708 VanDerWaalsContact CD1-SG 3.58Å
1685G49.4Very low60.4Low46 Ų4647.3 Ų47.347%0.47431%0.312SS..SBendtrans66.3-23.7175.300000115.9K1680 C1681K1680-G1685 WeakPolarHBondContact CD-O 3.41Å; C1681-G1685 PolarHBondContact O-N 2.95Å
1686T44.4Very low61.5Low47 Ų4744.6 Ų44.629%0.28829%0.289SS..SBendtrans-122.3-11.6-169.363.60000114Q57 L1684Q57-T1686 PolarHBondContact NE2-OG1 3.09Å; L1684-T1686 PolarHBondContact O-N 3.49Å; L1684-T1686 PolarHBondContact O-OG1 2.99Å
1687V42.5Very low62.3Low42 Ų4242.9 Ų42.926%0.25528%0.283SS..  trans-90111.7178.6-179.40000108.8K1680 C1681 L1684 S1689K1680-V1687 CarbonylContact C-O 3.58Å; K1680-V1687 VanDerWaalsContact CA-O 3.27Å; K1680-V1687 WeakPolarHBondContact CA-O 3.37Å; C1681-V1687 PolarHBondContact N-O 3.24Å; L1684-V1687 HydrophobicContact CB-CB 4.29Å; L1684-V1687 HydrophobicContact CB-CG2 3.85Å; L1684-V1687 HydrophobicContact CD1-CB 4.32Å; L1684-V1687 HydrophobicContact CD1-CG2 3.67Å; L1684-V1687 HydrophobicContact CG-CG2 4.39Å; V1687-S1689 PolarHBondContact O-N 3.5Å
1688D45.1Very low63.3Low99 Ų9941.4 Ų41.453%0.52927%0.268SS..BIsolated β-bridgetrans-57.1112.8160.3-63.9-30.8000106.2A1690D1688-A1690 VanDerWaalsContact C-N 3.3Å; D1688-A1690 PolarHBondContact O-N 3.36Å
1689S46.9Very low64.6Low22 Ų2238.5 Ų38.515%0.15425%0.253CS..  trans-71.396.7178.762.80000106.7C1679 V1687 T1691 G1692C1679-S1689 PolarHBondContact O-OG 2.91Å; V1687-S1689 PolarHBondContact O-N 3.5Å; S1689-T1691 PolarHBondContact O-N 3.02Å; S1689-G1692 PolarHBondContact O-N 3.36Å; S1689-G1692 VanDerWaalsContact O-N 3.11Å; S1689-G1692 VanDerWaalsContact OG-CA 3.22Å; S1689-G1692 WeakPolarHBondContact OG-CA 3.46Å; S1689-G1692 PolarHBondContact OG-N 3.45Å
1690A49.1Very low65.6Low83 Ų8343.2 Ų43.269%0.68627%0.269SS*.THydrogen-bonded Turntrans-54.1-9.9166.300000111.9D1688 S1739D1688-A1690 VanDerWaalsContact C-N 3.3Å; D1688-A1690 PolarHBondContact O-N 3.36Å; A1690-S1739 VanDerWaalsContact O-CB 3.28Å; A1690-S1739 WeakPolarHBondContact O-CB 3.41Å; A1690-S1739 PolarHBondContact O-OG 3.45Å
1691T58.4Low66.6Low27 Ų2739.4 Ų39.417%0.16626%0.255CS..THydrogen-bonded Turntrans-130.836-179.152.70000113.6S1689 S1693 Q1705S1689-T1691 PolarHBondContact O-N 3.02Å; T1691-S1693 PolarHBondContact O-N 2.96Å; T1691-Q1705 VanDerWaalsContact OG1-CG 3.3Å; T1691-Q1705 WeakPolarHBondContact OG1-CG 3.27Å; T1691-Q1705 PolarHBondContact OG1-NE2 3.12Å
1692G71.1Confident67.3Low5 Ų539.7 Ų39.75%0.05226%0.256CS..EExtended strand (participates in β ladder)trans-53.2136.4169.900000111.4S1689 I1738S1689-G1692 PolarHBondContact O-N 3.36Å; S1689-G1692 VanDerWaalsContact O-N 3.11Å; S1689-G1692 VanDerWaalsContact OG-CA 3.22Å; S1689-G1692 WeakPolarHBondContact OG-CA 3.46Å; S1689-G1692 PolarHBondContact OG-N 3.45Å; G1692-I1738 WeakPolarHBondContact O-CB 3.23Å; G1692-I1738 WeakPolarHBondContact O-CD1 3.49Å; G1692-I1738 VanDerWaalsContact O-CG1 3.25Å; G1692-I1738 WeakPolarHBondContact O-CG1 3.31Å; G1692-I1738 PolarHBondContact O-N 2.78Å; G1692-I1738 VanDerWaalsContact O-N 3.14Å
1693S84.2Confident68.3Low0 Ų035.7 Ų35.70%023%0.231CC..EExtended strand (participates in β ladder)trans-127.6140.4174.8-55.20000110.4T1691 V1701 I1702 T1704 L1736T1691-S1693 PolarHBondContact O-N 2.96Å; S1693-V1701 CarbonylContact O-C 3.53Å; S1693-V1701 WeakPolarHBondContact O-CA 3.4Å; S1693-I1702 PolarHBondContact N-O 3.3Å; S1693-I1702 WeakPolarHBondContact O-CG1 2.96Å; S1693-I1702 PolarHBondContact O-N 3.3Å; S1693-T1704 VanDerWaalsContact OG-CG2 3.3Å; S1693-T1704 WeakPolarHBondContact OG-CG2 3.37Å; S1693-T1704 PolarHBondContact OG-OG1 3.16Å; S1693-L1736 CarbonylContact C-O 3.55Å; S1693-L1736 WeakPolarHBondContact CA-O 3.34Å
1694V87.9Confident69.1Low2 Ų233.3 Ų33.31%0.01221%0.213CC..EExtended strand (participates in β ladder)trans-98.5125.9-177.1-176.40000109.6I1663 W1676 L1696 V1701 Y1735 L1736 I1738I1663-V1694 HydrophobicContact CD1-CG1 3.72Å; W1676-V1694 HydrophobicContact CD2-CG2 3.6Å; W1676-V1694 VanDerWaalsContact CE2-CG2 3.48Å; W1676-V1694 HydrophobicContact CE3-CG2 3.84Å; W1676-V1694 HydrophobicContact CG-CG2 4.2Å; W1676-V1694 HydrophobicContact CH2-CG2 3.84Å; W1676-V1694 HydrophobicContact CZ2-CB 4.4Å; W1676-V1694 HydrophobicContact CZ2-CG1 4.23Å; W1676-V1694 HydrophobicContact CZ2-CG2 3.64Å; W1676-V1694 HydrophobicContact CZ3-CG2 3.92Å; V1694-L1696 PolarHBondContact O-N 3.46Å; V1694-V1701 HydrophobicContact CG2-CG2 4.37Å; V1694-Y1735 CarbonylContact O-C 3.6Å; V1694-Y1735 WeakPolarHBondContact O-CA 3.46Å; V1694-L1736 HydrophobicContact CB-CB 4.42Å; V1694-L1736 PolarHBondContact N-O 3.39Å; V1694-L1736 PolarHBondContact O-N 3.07Å; V1694-I1738 HydrophobicContact CG2-CD1 3.82Å; V1694-I1738 HydrophobicContact CG2-CG1 4.06Å
1695C89.2Confident69.6Low0 Ų034.1 Ų34.10%022%0.216CC..EExtended strand (participates in β ladder)trans-67.2112.2170-179.20000110.6V1697 C1698 G1699 K1700 H1724 Y1735C1695-V1697 PolarHBondContact O-N 3.27Å; C1695-V1697 PolarHBondContact SG-N 3.42Å; C1695-C1698 PolarHBondContact O-N 3.48Å; C1695-C1698 PolarHBondContact SG-N 3.17Å; C1695-C1698 VanDerWaalsContact SG-N 3.41Å; C1695-C1698 VanDerWaalsContact SG-SG 3.64Å; C1695-G1699 VanDerWaalsContact O-CA 3.28Å; C1695-G1699 WeakPolarHBondContact O-CA 3.43Å; C1695-G1699 PolarHBondContact O-N 2.97Å; C1695-K1700 PolarHBondContact N-O 2.75Å; C1695-H1724 PolarHBondContact SG-NE2 3.24Å; C1695-H1724 VanDerWaalsContact SG-NE2 3.36Å; C1695-Y1735 HydrophobicContact CB-CD1 4.15Å; C1695-Y1735 HydrophobicContact CB-CE1 4.05Å
1696L90.7Very high70Confident0 Ų033.1 Ų33.10%020%0.201CC..THydrogen-bonded Turntrans-67.4-16.1178.2-65.5-178.9000112.7L1662 I1663 L1665 V1694 L1734 L1736 I1743 Y1783L1662-L1696 WeakPolarHBondContact CA-O 3.43Å; L1662-L1696 WeakPolarHBondContact CB-O 3.31Å; L1662-L1696 HydrophobicContact CD2-CB 4.47Å; L1662-L1696 WeakPolarHBondContact CD2-O 3.5Å; I1663-L1696 HydrophobicContact CD1-CD2 4.24Å; I1663-L1696 HydrophobicContact CG1-CD2 4.29Å; I1663-L1696 PolarHBondContact N-O 2.78Å; L1665-L1696 HydrophobicContact CD1-CD2 4.22Å; L1665-L1696 HydrophobicContact CD2-CD2 3.79Å; L1665-L1696 HydrophobicContact CG-CD2 4.41Å; V1694-L1696 PolarHBondContact O-N 3.46Å; L1696-L1734 HydrophobicContact CB-CB 4.41Å; L1696-L1734 HydrophobicContact CB-CD2 3.83Å; L1696-L1734 HydrophobicContact CB-CG 4.07Å; L1696-L1734 WeakPolarHBondContact CB-O 3.49Å; L1696-L1734 HydrophobicContact CD1-CD2 4.26Å; L1696-L1734 HydrophobicContact CD1-CG 4.04Å; L1696-L1734 PolarHBondContact N-O 2.95Å; L1696-L1736 HydrophobicContact CD2-CB 3.99Å; L1696-L1736 HydrophobicContact CG-CB 4.34Å; L1696-I1743 HydrophobicContact CD1-CD1 3.67Å; L1696-I1743 HydrophobicContact CD1-CG1 3.99Å; L1696-I1743 HydrophobicContact CD1-CG2 3.98Å; L1696-Y1783 HydrophobicContact CD1-CE2 4.24Å; L1696-Y1783 HydrophobicContact CD2-CE2 4.36Å
1697V86.6Confident70.6Confident6 Ų636.8 Ų36.84%0.03621%0.211CC..THydrogen-bonded Turntrans-83.2-42.3175.2-176.10000111.9R1134 L1662 C1695 L1734 W1790R1134-V1697 PolarHBondContact NE-O 2.88Å; R1134-V1697 PolarHBondContact NH1-O 3.35Å; R1134-V1697 PolarHBondContact NH2-O 3.24Å; L1662-V1697 HydrophobicContact CD2-CG2 3.99Å; C1695-V1697 PolarHBondContact O-N 3.27Å; C1695-V1697 PolarHBondContact SG-N 3.42Å; V1697-L1734 HydrophobicContact CG2-CB 4.33Å; V1697-L1734 HydrophobicContact CG2-CD2 4.5Å; V1697-W1790 HydrophobicContact CG1-CH2 4.17Å; V1697-W1790 HydrophobicContact CG1-CZ2 4Å; V1697-W1790 HydrophobicContact CG2-CZ2 4.06Å
1698C82.9Confident71.3Confident45 Ų4536.9 Ų36.930%0.30421%0.212SC..THydrogen-bonded Turntrans-122.3-7.4-174.375.70000116.5C1695 K1700 H1724C1695-C1698 PolarHBondContact O-N 3.48Å; C1695-C1698 PolarHBondContact SG-N 3.17Å; C1695-C1698 VanDerWaalsContact SG-N 3.41Å; C1695-C1698 VanDerWaalsContact SG-SG 3.64Å; C1698-K1700 VanDerWaalsContact C-N 3.28Å; C1698-K1700 PolarHBondContact O-N 3.02Å; C1698-H1724 PolarHBondContact SG-CE1 3.24Å; C1698-H1724 PolarHBondContact SG-NE2 3.01Å
1699G84.5Confident72.3Confident33 Ų3332.2 Ų32.234%0.3419%0.187SC..  trans79.2-2.4-178.700000115.7C1695C1695-G1699 VanDerWaalsContact O-CA 3.28Å; C1695-G1699 WeakPolarHBondContact O-CA 3.43Å; C1695-G1699 PolarHBondContact O-N 2.97Å
1700K82.5Confident73.2Confident135 Ų13535.3 Ų35.359%0.58720%0.198SC*.  trans-70.2137177.4-69.3-176.8179.9-177.70111.3C1695 C1698C1695-K1700 PolarHBondContact N-O 2.75Å; C1698-K1700 VanDerWaalsContact C-N 3.28Å; C1698-K1700 PolarHBondContact O-N 3.02Å
1701V81.1Confident73.9Confident32 Ų3235.4 Ų35.419%0.19418%0.183CC..EExtended strand (participates in β ladder)trans-78.5126.8168.3-1750000108.8C1679 S1693 V1694C1679-V1701 HydrophobicContact CB-CB 4.22Å; C1679-V1701 HydrophobicContact CB-CG1 3.83Å; C1679-V1701 HydrophobicContact CB-CG2 4.27Å; S1693-V1701 CarbonylContact O-C 3.53Å; S1693-V1701 WeakPolarHBondContact O-CA 3.4Å; V1694-V1701 HydrophobicContact CG2-CG2 4.37Å
1702I77.8Confident73.8Confident7 Ų737.5 Ų37.54%0.03620%0.203CC..EExtended strand (participates in β ladder)trans-130.1150.8-178.258.7166.4000110S1693 T1704 C1721 Y1735S1693-I1702 PolarHBondContact N-O 3.3Å; S1693-I1702 WeakPolarHBondContact O-CG1 2.96Å; S1693-I1702 PolarHBondContact O-N 3.3Å; I1702-T1704 HydrophobicContact CD1-CG2 4.46Å; I1702-C1721 HydrophobicContact CD1-CB 3.93Å; I1702-Y1735 HydrophobicContact CD1-CD1 3.58Å; I1702-Y1735 HydrophobicContact CD1-CD2 3.75Å; I1702-Y1735 HydrophobicContact CD1-CE1 3.27Å; I1702-Y1735 HydrophobicContact CD1-CE2 3.44Å; I1702-Y1735 VanDerWaalsContact CD1-CE2 3.44Å; I1702-Y1735 HydrophobicContact CD1-CG 3.81Å
1703C73.8Confident73.1Confident4 Ų440.7 Ų40.73%0.02722%0.219CC..EExtended strand (participates in β ladder)trans-83.9125170.4-1740000109.3C1681 C1709C1681-C1703 HydrophobicContact CB-CB 4.31Å; C1703-C1709 HydrophobicContact CB-CB 4.2Å
1704T69Low71.8Confident9 Ų943.9 Ų43.96%0.05525%0.251CS..  trans-97.20.8177.445.60000113.3S1693 I1702 C1721 Y1735S1693-T1704 VanDerWaalsContact OG-CG2 3.3Å; S1693-T1704 WeakPolarHBondContact OG-CG2 3.37Å; S1693-T1704 PolarHBondContact OG-OG1 3.16Å; I1702-T1704 HydrophobicContact CD1-CG2 4.46Å; T1704-C1721 HydrophobicContact CG2-CB 4.31Å; T1704-Y1735 HydrophobicContact CG2-CD2 3.81Å; T1704-Y1735 HydrophobicContact CG2-CE2 4.48Å; T1704-Y1735 HydrophobicContact CG2-CG 4.42Å
1705Q65.1Low69.8Low72 Ų7253.6 Ų53.634%0.33630%0.296SS..  trans-67.9126.4175.7-68.9-68.1-16.900110.8T1691 Y1707 C1708T1691-Q1705 VanDerWaalsContact OG1-CG 3.3Å; T1691-Q1705 WeakPolarHBondContact OG1-CG 3.27Å; T1691-Q1705 PolarHBondContact OG1-NE2 3.12Å; Q1705-Y1707 VanDerWaalsContact C-N 3.27Å; Q1705-Y1707 PolarHBondContact O-N 2.83Å; Q1705-C1708 HydrophobicContact CB-CB 3.54Å; Q1705-C1708 HydrophobicContact CG-CB 4.42Å; Q1705-C1708 PolarHBondContact O-N 3.49Å
1706P56.8Low68Low25 Ų2562 Ų6216%0.16233%0.327CS..THydrogen-bonded Turntrans-62.4-31.3-17518.3-27.3000113.5K1710 L1812P1706-K1710 WeakPolarHBondContact O-CE 3.5Å; P1706-L1812 HydrophobicContact CG-CD2 4.26Å
1707Y57.4Low66.4Low125 Ų12567.5 Ų67.549%0.4936%0.357SS..THydrogen-bonded Turntrans-98.5-12.3-175.8-50.4-77.2000114.7Q1705Q1705-Y1707 VanDerWaalsContact C-N 3.27Å; Q1705-Y1707 PolarHBondContact O-N 2.83Å
1708C58.3Low65.3Low43 Ų4368.4 Ų68.429%0.29136%0.362SS..THydrogen-bonded Turntrans-81.2-48.7-167.4-174.30000113.1L1684 Q1705L1684-C1708 VanDerWaalsContact CD1-SG 3.58Å; Q1705-C1708 HydrophobicContact CB-CB 3.54Å; Q1705-C1708 HydrophobicContact CG-CB 4.42Å; Q1705-C1708 PolarHBondContact O-N 3.49Å
1709C64.9Low64.7Low1 Ų167.3 Ų67.31%0.00736%0.355CS..SBendtrans-131.995-169.5-54.70000107.2C1681 S1683 C1703 N1720C1681-C1709 WeakPolarHBondContact CB-SG 3.48Å; C1681-C1709 WeakPolarHBondContact SG-CB 2.95Å; C1681-C1709 CovalentContact SG-SG 2.08Å; C1681-C1709 PolarHBondContact SG-SG 3.22Å; S1683-C1709 WeakPolarHBondContact OG-CB 3.34Å; C1703-C1709 HydrophobicContact CB-CB 4.2Å; C1709-N1720 HydrophobicContact CB-CB 3.97Å; C1709-N1720 WeakPolarHBondContact O-CB 3.45Å; C1709-N1720 PolarHBondContact O-N 3.29Å
1710K65.3Low64.2Low88 Ų8866.3 Ų66.338%0.38334%0.342SS..EExtended strand (participates in β ladder)trans-104.5147.3179.6-64.5-167.2-178.9-170.90111.7P1706 L1717 V1718P1706-K1710 WeakPolarHBondContact O-CE 3.5Å; K1710-L1717 HydrophobicContact CD-CB 4.27Å; K1710-V1718 CarbonylContact C-O 3.44Å; K1710-V1718 VanDerWaalsContact CA-O 3.27Å; K1710-V1718 WeakPolarHBondContact CA-O 3Å
1711K63.7Low63.9Low85 Ų8559.9 Ų59.937%0.3731%0.314SS..EExtended strand (participates in β ladder)trans-128.1145.7175.7-77.9-167.7168.5-171.30110.9V1718 N1720 F1723K1711-V1718 PolarHBondContact N-O 2.99Å; K1711-V1718 WeakPolarHBondContact O-CG2 3.31Å; K1711-V1718 PolarHBondContact O-N 3.32Å; K1711-N1720 WeakPolarHBondContact CD-OD1 3.28Å; K1711-N1720 WeakPolarHBondContact CE-OD1 3.49Å; K1711-F1723 HydrophobicContact CB-CB 4.16Å; K1711-F1723 HydrophobicContact CB-CD2 3.99Å; K1711-F1723 HydrophobicContact CB-CG 4.02Å; K1711-F1723 HydrophobicContact CD-CB 4.07Å; K1711-F1723 HydrophobicContact CD-CD1 3.38Å; K1711-F1723 HydrophobicContact CD-CD2 4.09Å; K1711-F1723 HydrophobicContact CD-CE1 3.77Å; K1711-F1723 HydrophobicContact CD-CE2 4.41Å; K1711-F1723 HydrophobicContact CD-CG 3.56Å; K1711-F1723 HydrophobicContact CD-CZ 4.26Å; K1711-F1723 HydrophobicContact CG-CG 4.39Å
1712A56.7Low63.6Low70 Ų7060.5 Ų60.558%0.57931%0.314SS*.EExtended strand (participates in β ladder)trans-74.2129.5173.800000110.8L1717A1712-L1717 HydrophobicContact CB-CD2 4.47Å
1713L56.6Low63.4Low73 Ų7362 Ų6238%0.38232%0.321SS..EExtended strand (participates in β ladder)trans-123.892.9168.5-172.975.4000107.4H1715 R1716 V1718 F1722 L1726L1713-H1715 PolarHBondContact O-N 3.08Å; L1713-R1716 PolarHBondContact N-O 3.1Å; L1713-R1716 PolarHBondContact O-N 2.73Å; L1713-V1718 HydrophobicContact CB-CG1 4.31Å; L1713-V1718 HydrophobicContact CB-CG2 3.91Å; L1713-V1718 HydrophobicContact CD2-CG1 4.42Å; L1713-F1722 HydrophobicContact CD2-CE1 4.3Å; L1713-L1726 HydrophobicContact CD1-CD1 4.29Å; L1713-L1726 HydrophobicContact CD2-CD1 3.78Å
1714G56.5Low63.6Low66 Ų6663 Ų6368%0.6833%0.325SS*.THydrogen-bonded Turntrans62.2-127.6-167.700000111R1716G1714-R1716 VanDerWaalsContact C-N 3.33Å
1715H46.9Very low64Low206 Ų20662.6 Ų62.695%0.95432%0.322SS*.THydrogen-bonded Turntrans-84.91.5177-57.5-64.2000114.4L1713L1713-H1715 PolarHBondContact O-N 3.08Å
1716R50.2Low64.4Low176 Ų17661.9 Ų61.966%0.66432%0.32SS*.EExtended strand (participates in β ladder)trans-109.1139-176.8-65.8-175.5-179.9177.71.3111.2L1713 G1714L1713-R1716 PolarHBondContact N-O 3.1Å; L1713-R1716 PolarHBondContact O-N 2.73Å; G1714-R1716 VanDerWaalsContact C-N 3.33Å
1717L57Low65.1Low117 Ų11764.1 Ų64.161%0.61333%0.331SS*.EExtended strand (participates in β ladder)trans-89.9118.6169.1-73168.7000109.3K1710 A1712K1710-L1717 HydrophobicContact CD-CB 4.27Å; A1712-L1717 HydrophobicContact CB-CD2 4.47Å
1718V64.8Low66Low24 Ų2458.9 Ų58.915%0.14531%0.312CS..EExtended strand (participates in β ladder)trans-114.2157.5177.5-63.30000110.5K1710 K1711 L1713 F1722 F1723K1710-V1718 CarbonylContact C-O 3.44Å; K1710-V1718 VanDerWaalsContact CA-O 3.27Å; K1710-V1718 WeakPolarHBondContact CA-O 3Å; K1711-V1718 PolarHBondContact N-O 2.99Å; K1711-V1718 WeakPolarHBondContact O-CG2 3.31Å; K1711-V1718 PolarHBondContact O-N 3.32Å; L1713-V1718 HydrophobicContact CB-CG1 4.31Å; L1713-V1718 HydrophobicContact CB-CG2 3.91Å; L1713-V1718 HydrophobicContact CD2-CG1 4.42Å; V1718-F1722 HydrophobicContact CB-CB 4.49Å; V1718-F1722 HydrophobicContact CB-CD1 3.7Å; V1718-F1722 HydrophobicContact CB-CE1 4.45Å; V1718-F1722 HydrophobicContact CG1-CD1 3.83Å; V1718-F1722 HydrophobicContact CG1-CE1 4.09Å; V1718-F1722 HydrophobicContact CG2-CD1 3.96Å; V1718-F1723 HydrophobicContact CG2-CB 4.29Å
1719S69.2Low66.8Low22 Ų2256.9 Ų56.915%0.15430%0.299CS..EExtended strand (participates in β ladder)trans-62.2148.9174.465.10000111.3C1721 F1722 F1723S1719-C1721 PolarHBondContact O-N 2.93Å; S1719-C1721 PolarHBondContact OG-SG 3.03Å; S1719-F1722 PolarHBondContact O-N 2.68Å; S1719-F1722 VanDerWaalsContact O-N 3.13Å; S1719-F1722 WeakPolarHBondContact OG-CB 3.39Å; S1719-F1722 PolarHBondContact OG-N 3.02Å; S1719-F1723 PolarHBondContact O-N 3.14Å
1720N74.6Confident67.2Low12 Ų1257.1 Ų57.16%0.06430%0.301CS..Hα-helixtrans-64.4-28.1177.6-175.948.9000111.2C1709 K1711 H1724C1709-N1720 HydrophobicContact CB-CB 3.97Å; C1709-N1720 WeakPolarHBondContact O-CB 3.45Å; C1709-N1720 PolarHBondContact O-N 3.29Å; K1711-N1720 WeakPolarHBondContact CD-OD1 3.28Å; K1711-N1720 WeakPolarHBondContact CE-OD1 3.49Å; N1720-H1724 VanDerWaalsContact O-CB 3.24Å; N1720-H1724 WeakPolarHBondContact O-CB 3.4Å; N1720-H1724 PolarHBondContact O-N 3.46Å
1721C75.8Confident67.5Low1 Ų154 Ų541%0.00729%0.291CS..Hα-helixtrans-69.3-37.3173.2660000112.3I1702 T1704 S1719 H1724 S1725 Y1733 Y1735I1702-C1721 HydrophobicContact CD1-CB 3.93Å; T1704-C1721 HydrophobicContact CG2-CB 4.31Å; S1719-C1721 PolarHBondContact O-N 2.93Å; S1719-C1721 PolarHBondContact OG-SG 3.03Å; C1721-H1724 PolarHBondContact O-N 2.95Å; C1721-S1725 PolarHBondContact O-N 2.87Å; C1721-Y1733 WeakPolarHBondContact O-CE1 3.41Å; C1721-Y1735 HydrophobicContact CB-CE2 3.8Å; C1721-Y1735 PolarHBondContact O-OH 3.28Å
1722F75.9Confident68.3Low44 Ų4450.5 Ų50.519%0.19328%0.276CS..Hα-helixtrans-65.9-47.4169.1-174.2-113.6000112.3L1713 V1718 S1719 H1724 S1725 L1726 Y1733L1713-F1722 HydrophobicContact CD2-CE1 4.3Å; V1718-F1722 HydrophobicContact CB-CB 4.49Å; V1718-F1722 HydrophobicContact CB-CD1 3.7Å; V1718-F1722 HydrophobicContact CB-CE1 4.45Å; V1718-F1722 HydrophobicContact CG1-CD1 3.83Å; V1718-F1722 HydrophobicContact CG1-CE1 4.09Å; V1718-F1722 HydrophobicContact CG2-CD1 3.96Å; S1719-F1722 PolarHBondContact O-N 2.68Å; S1719-F1722 VanDerWaalsContact O-N 3.13Å; S1719-F1722 WeakPolarHBondContact OG-CB 3.39Å; S1719-F1722 PolarHBondContact OG-N 3.02Å; F1722-H1724 PolarHBondContact O-N 3.04Å; F1722-S1725 PolarHBondContact O-N 3.16Å; F1722-S1725 VanDerWaalsContact O-N 3.11Å; F1722-S1725 PolarHBondContact O-OG 3.45Å; F1722-L1726 HydrophobicContact CD1-CD1 3.85Å; F1722-L1726 HydrophobicContact CD1-CG 4.27Å; F1722-L1726 HydrophobicContact CE1-CD1 3.53Å; F1722-L1726 HydrophobicContact CE1-CD2 4.3Å; F1722-L1726 HydrophobicContact CE1-CG 4Å; F1722-L1726 HydrophobicContact CE2-CD2 4.29Å; F1722-L1726 HydrophobicContact CE2-CG 4.34Å; F1722-L1726 HydrophobicContact CZ-CD1 4.04Å; F1722-L1726 HydrophobicContact CZ-CD2 3.94Å; F1722-L1726 HydrophobicContact CZ-CG 4.06Å; F1722-L1726 WeakPolarHBondContact O-CG 3.29Å; F1722-L1726 PolarHBondContact O-N 3.07Å; F1722-Y1733 WeakPolarHBondContact CA-OH 3.49Å; F1722-Y1733 HydrophobicContact CB-CE1 4.35Å; F1722-Y1733 WeakPolarHBondContact CB-OH 3.47Å; F1722-Y1733 HydrophobicContact CD2-CE1 4.37Å; F1722-Y1733 AromaticContact CD2-CZ 3.94Å; F1722-Y1733 WeakPolarHBondContact CD2-OH 3.18Å
1723F73.1Confident69.3Low40 Ų4047.6 Ų47.618%0.17525%0.25CS..Hα-helixtrans-57.8-38175.9-173.1-87.6000111.9K1711 V1718 S1719 N1727K1711-F1723 HydrophobicContact CB-CB 4.16Å; K1711-F1723 HydrophobicContact CB-CD2 3.99Å; K1711-F1723 HydrophobicContact CB-CG 4.02Å; K1711-F1723 HydrophobicContact CD-CB 4.07Å; K1711-F1723 HydrophobicContact CD-CD1 3.38Å; K1711-F1723 HydrophobicContact CD-CD2 4.09Å; K1711-F1723 HydrophobicContact CD-CE1 3.77Å; K1711-F1723 HydrophobicContact CD-CE2 4.41Å; K1711-F1723 HydrophobicContact CD-CG 3.56Å; K1711-F1723 HydrophobicContact CD-CZ 4.26Å; K1711-F1723 HydrophobicContact CG-CG 4.39Å; V1718-F1723 HydrophobicContact CG2-CB 4.29Å; S1719-F1723 PolarHBondContact O-N 3.14Å; F1723-N1727 WeakPolarHBondContact CE1-ND2 3.26Å; F1723-N1727 PolarHBondContact O-ND2 3.17Å
1724H78.2Confident70.8Confident25 Ų2544.1 Ų44.112%0.11623%0.232CC..Hα-helixtrans-67.2-45.8174.4-178.564.9000112C1695 C1698 N1720 C1721 F1722 L1726 N1727 C1728C1695-H1724 PolarHBondContact SG-NE2 3.24Å; C1695-H1724 VanDerWaalsContact SG-NE2 3.36Å; C1698-H1724 PolarHBondContact SG-CE1 3.24Å; C1698-H1724 PolarHBondContact SG-NE2 3.01Å; N1720-H1724 VanDerWaalsContact O-CB 3.24Å; N1720-H1724 WeakPolarHBondContact O-CB 3.4Å; N1720-H1724 PolarHBondContact O-N 3.46Å; C1721-H1724 PolarHBondContact O-N 2.95Å; F1722-H1724 PolarHBondContact O-N 3.04Å; H1724-L1726 PolarHBondContact O-N 3.03Å; H1724-N1727 CarbonylContact O-C 3.56Å; H1724-N1727 PolarHBondContact O-N 3.17Å; H1724-N1727 VanDerWaalsContact O-N 3.12Å; H1724-C1728 PolarHBondContact NE2-SG 3.11Å; H1724-C1728 WeakPolarHBondContact O-CB 3.39Å; H1724-C1728 PolarHBondContact O-N 2.95Å
1725S78.1Confident72.4Confident0 Ų041 Ų410%020%0.2CC..Hα-helixtrans-65.9-38.8-178.265.80000112.8C1721 F1722 N1727 C1728 S1729 S1730 A1731 Y1733 Y1735C1721-S1725 PolarHBondContact O-N 2.87Å; F1722-S1725 PolarHBondContact O-N 3.16Å; F1722-S1725 VanDerWaalsContact O-N 3.11Å; F1722-S1725 PolarHBondContact O-OG 3.45Å; S1725-N1727 PolarHBondContact O-N 3.03Å; S1725-C1728 PolarHBondContact O-N 3.07Å; S1725-S1729 WeakPolarHBondContact CA-OG 3.12Å; S1725-S1729 CarbonylContact O-C 3.54Å; S1725-S1729 PolarHBondContact O-N 3.33Å; S1725-S1729 PolarHBondContact O-OG 3.14Å; S1725-S1730 PolarHBondContact O-N 2.89Å; S1725-A1731 PolarHBondContact O-N 2.84Å; S1725-Y1733 WeakPolarHBondContact OG-CE1 3.38Å; S1725-Y1735 WeakPolarHBondContact CB-OH 3.47Å; S1725-Y1735 PolarHBondContact N-OH 2.95Å
1726L72.9Confident74.4Confident56 Ų5631.2 Ų31.229%0.29316%0.155SC..Hα-helixtrans-53.1-40.9172-73.7175.8000111.4L1713 F1722 H1724 A1731L1713-L1726 HydrophobicContact CD1-CD1 4.29Å; L1713-L1726 HydrophobicContact CD2-CD1 3.78Å; F1722-L1726 HydrophobicContact CD1-CD1 3.85Å; F1722-L1726 HydrophobicContact CD1-CG 4.27Å; F1722-L1726 HydrophobicContact CE1-CD1 3.53Å; F1722-L1726 HydrophobicContact CE1-CD2 4.3Å; F1722-L1726 HydrophobicContact CE1-CG 4Å; F1722-L1726 HydrophobicContact CE2-CD2 4.29Å; F1722-L1726 HydrophobicContact CE2-CG 4.34Å; F1722-L1726 HydrophobicContact CZ-CD1 4.04Å; F1722-L1726 HydrophobicContact CZ-CD2 3.94Å; F1722-L1726 HydrophobicContact CZ-CG 4.06Å; F1722-L1726 WeakPolarHBondContact O-CG 3.29Å; F1722-L1726 PolarHBondContact O-N 3.07Å; H1724-L1726 PolarHBondContact O-N 3.03Å; L1726-A1731 HydrophobicContact CD2-CB 4.03Å
1727N70.4Confident76Confident72 Ų7225 Ų2539%0.38513%0.131SC..Hα-helixtrans-93.1-10.6-176.4-72.6-56.3000114.8R1132 F1723 H1724 S1725R1132-N1727 PolarHBondContact NH1-O 3.31Å; R1132-N1727 PolarHBondContact NH2-O 3.02Å; F1723-N1727 WeakPolarHBondContact CE1-ND2 3.26Å; F1723-N1727 PolarHBondContact O-ND2 3.17Å; H1724-N1727 CarbonylContact O-C 3.56Å; H1724-N1727 PolarHBondContact O-N 3.17Å; H1724-N1727 VanDerWaalsContact O-N 3.12Å; S1725-N1727 PolarHBondContact O-N 3.03Å
1728C76.3Confident77.1Confident16 Ų1620.1 Ų20.111%0.10811%0.106CC..Hα-helixtrans-115.6-45.1-172.2-171.90000111.8H1724 S1725H1724-C1728 PolarHBondContact NE2-SG 3.11Å; H1724-C1728 WeakPolarHBondContact O-CB 3.39Å; H1724-C1728 PolarHBondContact O-N 2.95Å; S1725-C1728 PolarHBondContact O-N 3.07Å
1729S74.8Confident77.5Confident0 Ų021.1 Ų21.10%011%0.113CC..SBendtrans-136.622.1-164.149.40000112.6S1129 S1725 A1731 I1732S1129-S1729 VanDerWaalsContact OG-C 3.24Å; S1129-S1729 VanDerWaalsContact OG-CA 3.26Å; S1129-S1729 WeakPolarHBondContact OG-CA 3.22Å; S1725-S1729 WeakPolarHBondContact CA-OG 3.12Å; S1725-S1729 CarbonylContact O-C 3.54Å; S1725-S1729 PolarHBondContact O-N 3.33Å; S1725-S1729 PolarHBondContact O-OG 3.14Å; S1729-A1731 PolarHBondContact O-N 3.43Å; S1729-I1732 WeakPolarHBondContact CB-O 3.37Å; S1729-I1732 WeakPolarHBondContact O-CB 3.44Å; S1729-I1732 PolarHBondContact O-N 3.34Å; S1729-I1732 VanDerWaalsContact O-N 3.16Å; S1729-I1732 PolarHBondContact OG-O 2.89Å
1730S74.6Confident77.9Confident7 Ų721.1 Ų21.15%0.04911%0.112CC..THydrogen-bonded Turntrans53.651.2177.6-65.30000113D1127 S1129 S1725 I1732D1127-S1730 VanDerWaalsContact CG-OG 3.3Å; D1127-S1730 VanDerWaalsContact O-CB 3.3Å; D1127-S1730 WeakPolarHBondContact O-CB 3.47Å; D1127-S1730 WeakPolarHBondContact OD2-CB 3.47Å; D1127-S1730 PolarHBondContact OD2-OG 3.05Å; S1129-S1730 WeakPolarHBondContact CB-OG 3.22Å; S1129-S1730 PolarHBondContact N-OG 3.4Å; S1129-S1730 PolarHBondContact OG-OG 2.7Å; S1725-S1730 PolarHBondContact O-N 2.89Å; S1730-I1732 VanDerWaalsContact C-N 3.26Å; S1730-I1732 PolarHBondContact O-N 2.89Å
1731A71.3Confident78.4Confident22 Ų2220.7 Ų20.718%0.18211%0.11CC..THydrogen-bonded Turntrans70.14.8-178.900000116.6S1725 L1726 S1729 S1746S1725-A1731 PolarHBondContact O-N 2.84Å; L1726-A1731 HydrophobicContact CD2-CB 4.03Å; S1729-A1731 PolarHBondContact O-N 3.43Å; A1731-S1746 PolarHBondContact O-OG 3.48Å
1732I79.6Confident78.9Confident11 Ų1121.6 Ų21.66%0.05612%0.115CC..  trans-89120.3173.5-64.1172.9000110S1729 S1730 M1795S1729-I1732 WeakPolarHBondContact CB-O 3.37Å; S1729-I1732 WeakPolarHBondContact O-CB 3.44Å; S1729-I1732 PolarHBondContact O-N 3.34Å; S1729-I1732 VanDerWaalsContact O-N 3.16Å; S1729-I1732 PolarHBondContact OG-O 2.89Å; S1730-I1732 VanDerWaalsContact C-N 3.26Å; S1730-I1732 PolarHBondContact O-N 2.89Å; I1732-M1795 HydrophobicContact CD1-CB 4.39Å; I1732-M1795 HydrophobicContact CG2-CB 4.34Å; I1732-M1795 HydrophobicContact CG2-CG 4.4Å
1733Y78.6Confident79.5Confident9 Ų919.5 Ų19.54%0.03511%0.105CC..  trans-75.3131.7167.9-56.2-47.4000109.5C1721 F1722 S1725 Y1735 V1745 S1746 V1752C1721-Y1733 WeakPolarHBondContact O-CE1 3.41Å; F1722-Y1733 WeakPolarHBondContact CA-OH 3.49Å; F1722-Y1733 HydrophobicContact CB-CE1 4.35Å; F1722-Y1733 WeakPolarHBondContact CB-OH 3.47Å; F1722-Y1733 HydrophobicContact CD2-CE1 4.37Å; F1722-Y1733 AromaticContact CD2-CZ 3.94Å; F1722-Y1733 WeakPolarHBondContact CD2-OH 3.18Å; S1725-Y1733 WeakPolarHBondContact OG-CE1 3.38Å; Y1733-Y1735 HydrophobicContact CD1-CD2 4.08Å; Y1733-Y1735 AromaticContact CD1-CE2 3.18Å; Y1733-Y1735 HydrophobicContact CD1-CE2 3.18Å; Y1733-Y1735 AromaticContact CD1-CZ 3.62Å; Y1733-Y1735 AromaticContact CE1-CE2 3.95Å; Y1733-Y1735 HydrophobicContact CE1-CE2 3.95Å; Y1733-Y1735 HydrophobicContact CG-CD2 4.19Å; Y1733-Y1735 AromaticContact CG-CE2 3.73Å; Y1733-Y1735 HydrophobicContact CG-CE2 3.73Å; Y1733-V1745 VanDerWaalsContact O-CA 3.28Å; Y1733-V1745 WeakPolarHBondContact O-CA 3.19Å; Y1733-S1746 WeakPolarHBondContact CB-OG 3.38Å; Y1733-S1746 WeakPolarHBondContact CD2-OG 3.46Å; Y1733-S1746 VanDerWaalsContact CG-OG 3.26Å; Y1733-S1746 PolarHBondContact N-OG 3.34Å; Y1733-S1746 PolarHBondContact O-N 3.35Å; Y1733-S1746 VanDerWaalsContact O-N 3.15Å; Y1733-V1752 HydrophobicContact CD2-CG2 3.95Å; Y1733-V1752 HydrophobicContact CE2-CG2 4.02Å
1734L88.3Confident80.1Confident1 Ų118 Ų181%0.00510%0.099CC..EExtended strand (participates in β ladder)trans-140.778.1168.7-15678.1000107.8L1662 L1696 V1697 I1743 Q1744 V1745 I1786 M1795L1662-L1734 HydrophobicContact CD1-CD2 3.51Å; L1662-L1734 HydrophobicContact CD2-CD2 3.49Å; L1662-L1734 VanDerWaalsContact CD2-CD2 3.49Å; L1662-L1734 HydrophobicContact CG-CD2 4.16Å; L1696-L1734 HydrophobicContact CB-CB 4.41Å; L1696-L1734 HydrophobicContact CB-CD2 3.83Å; L1696-L1734 HydrophobicContact CB-CG 4.07Å; L1696-L1734 WeakPolarHBondContact CB-O 3.49Å; L1696-L1734 HydrophobicContact CD1-CD2 4.26Å; L1696-L1734 HydrophobicContact CD1-CG 4.04Å; L1696-L1734 PolarHBondContact N-O 2.95Å; V1697-L1734 HydrophobicContact CG2-CB 4.33Å; V1697-L1734 HydrophobicContact CG2-CD2 4.5Å; L1734-I1743 HydrophobicContact CD1-CG2 4.39Å; L1734-Q1744 WeakPolarHBondContact CA-O 3.32Å; L1734-V1745 HydrophobicContact CD1-CG1 4.14Å; L1734-V1745 HydrophobicContact CD1-CG2 4.04Å; L1734-I1786 HydrophobicContact CD1-CG2 4.08Å; L1734-I1786 HydrophobicContact CD2-CG2 4.33Å; L1734-M1795 HydrophobicContact CD1-SD 3.8Å
1735Y89Confident80.4Confident0 Ų016.9 Ų16.90%09%0.094CC..EExtended strand (participates in β ladder)trans-118.4121-167-55.8-33.7000111.6V1694 C1695 I1702 T1704 C1721 S1725 Y1733 R1737 I1743 Q1744V1694-Y1735 CarbonylContact O-C 3.6Å; V1694-Y1735 WeakPolarHBondContact O-CA 3.46Å; C1695-Y1735 HydrophobicContact CB-CD1 4.15Å; C1695-Y1735 HydrophobicContact CB-CE1 4.05Å; I1702-Y1735 HydrophobicContact CD1-CD1 3.58Å; I1702-Y1735 HydrophobicContact CD1-CD2 3.75Å; I1702-Y1735 HydrophobicContact CD1-CE1 3.27Å; I1702-Y1735 HydrophobicContact CD1-CE2 3.44Å; I1702-Y1735 VanDerWaalsContact CD1-CE2 3.44Å; I1702-Y1735 HydrophobicContact CD1-CG 3.81Å; T1704-Y1735 HydrophobicContact CG2-CD2 3.81Å; T1704-Y1735 HydrophobicContact CG2-CE2 4.48Å; T1704-Y1735 HydrophobicContact CG2-CG 4.42Å; C1721-Y1735 HydrophobicContact CB-CE2 3.8Å; C1721-Y1735 PolarHBondContact O-OH 3.28Å; S1725-Y1735 WeakPolarHBondContact CB-OH 3.47Å; S1725-Y1735 PolarHBondContact N-OH 2.95Å; Y1733-Y1735 HydrophobicContact CD1-CD2 4.08Å; Y1733-Y1735 AromaticContact CD1-CE2 3.18Å; Y1733-Y1735 HydrophobicContact CD1-CE2 3.18Å; Y1733-Y1735 AromaticContact CD1-CZ 3.62Å; Y1733-Y1735 AromaticContact CE1-CE2 3.95Å; Y1733-Y1735 HydrophobicContact CE1-CE2 3.95Å; Y1733-Y1735 HydrophobicContact CG-CD2 4.19Å; Y1733-Y1735 AromaticContact CG-CE2 3.73Å; Y1733-Y1735 HydrophobicContact CG-CE2 3.73Å; Y1735-R1737 PolarHBondContact O-N 3.4Å; Y1735-I1743 CarbonylContact O-C 3.51Å; Y1735-I1743 WeakPolarHBondContact O-CA 3.47Å; Y1735-Q1744 PolarHBondContact N-O 3.49Å; Y1735-Q1744 PolarHBondContact O-N 3.5Å
1736L89.6Confident80.4Confident0 Ų016.9 Ų16.90%09%0.094CC..EExtended strand (participates in β ladder)trans-79.3111.317017663.8000109L1665 W1676 S1693 V1694 L1696 I1738 I1743 A1757 Y1759L1665-L1736 HydrophobicContact CD2-CD2 4.14Å; W1676-L1736 HydrophobicContact CH2-CD2 3.86Å; W1676-L1736 HydrophobicContact CZ3-CD2 3.86Å; S1693-L1736 CarbonylContact C-O 3.55Å; S1693-L1736 WeakPolarHBondContact CA-O 3.34Å; V1694-L1736 HydrophobicContact CB-CB 4.42Å; V1694-L1736 PolarHBondContact N-O 3.39Å; V1694-L1736 PolarHBondContact O-N 3.07Å; L1696-L1736 HydrophobicContact CD2-CB 3.99Å; L1696-L1736 HydrophobicContact CG-CB 4.34Å; L1736-I1738 PolarHBondContact O-N 3.33Å; L1736-I1743 HydrophobicContact CD1-CG1 4.07Å; L1736-A1757 HydrophobicContact CD1-CB 3.58Å; L1736-Y1759 HydrophobicContact CD2-CE2 4.3Å
1737R84.4Confident80.3Confident46 Ų4614.2 Ų14.217%0.1748%0.08CC..EExtended strand (participates in β ladder)trans-75.3114.7173.8-66.6-172.567.8-171.9-0109.5Y1669 Y1735 T1740 C1741 Q1742Y1669-R1737 PolarHBondContact OH-O 2.82Å; Y1735-R1737 PolarHBondContact O-N 3.4Å; R1737-T1740 WeakPolarHBondContact CB-OG1 3.37Å; R1737-T1740 PolarHBondContact O-N 3.01Å; R1737-C1741 PolarHBondContact O-N 2.94Å; R1737-Q1742 PolarHBondContact N-O 3.22Å
1738I80Confident79.8Confident15 Ų1511.9 Ų11.98%0.0777%0.069CC..THydrogen-bonded Turntrans-68.9-40.3-173.4-59.7166.9000111.2Y1669 L1673 W1676 G1692 V1694 L1736 T1740Y1669-I1738 VanDerWaalsContact OH-C 3.28Å; Y1669-I1738 WeakPolarHBondContact OH-CA 3.27Å; Y1669-I1738 PolarHBondContact OH-O 3.47Å; L1673-I1738 HydrophobicContact CD2-CG2 3.67Å; W1676-I1738 HydrophobicContact CB-CD1 3.32Å; W1676-I1738 HydrophobicContact CB-CG1 4.4Å; W1676-I1738 HydrophobicContact CD2-CD1 3.78Å; W1676-I1738 HydrophobicContact CD2-CG1 4.2Å; W1676-I1738 HydrophobicContact CE3-CB 4.45Å; W1676-I1738 HydrophobicContact CE3-CD1 3.61Å; W1676-I1738 HydrophobicContact CE3-CG1 3.51Å; W1676-I1738 HydrophobicContact CE3-CG2 4.16Å; W1676-I1738 HydrophobicContact CG-CD1 3.7Å; W1676-I1738 HydrophobicContact CZ3-CG1 4.1Å; G1692-I1738 WeakPolarHBondContact O-CB 3.23Å; G1692-I1738 WeakPolarHBondContact O-CD1 3.49Å; G1692-I1738 VanDerWaalsContact O-CG1 3.25Å; G1692-I1738 WeakPolarHBondContact O-CG1 3.31Å; G1692-I1738 PolarHBondContact O-N 2.78Å; G1692-I1738 VanDerWaalsContact O-N 3.14Å; V1694-I1738 HydrophobicContact CG2-CD1 3.82Å; V1694-I1738 HydrophobicContact CG2-CG1 4.06Å; L1736-I1738 PolarHBondContact O-N 3.33Å; I1738-T1740 VanDerWaalsContact C-N 3.33Å; I1738-T1740 PolarHBondContact O-N 3.04Å
1739S72.6Confident79Confident44 Ų4411.7 Ų11.731%0.3087%0.069SC..THydrogen-bonded Turntrans-76.7-15.8-176.956.10000114.9A1690A1690-S1739 VanDerWaalsContact O-CB 3.28Å; A1690-S1739 WeakPolarHBondContact O-CB 3.41Å; A1690-S1739 PolarHBondContact O-OG 3.45Å
1740T77.3Confident78.2Confident22 Ų2213 Ų1314%0.1358%0.078CC..THydrogen-bonded Turntrans-122.6-1.4-177.369.50000114.2R1737 I1738 Q1742 G1769R1737-T1740 WeakPolarHBondContact CB-OG1 3.37Å; R1737-T1740 PolarHBondContact O-N 3.01Å; I1738-T1740 VanDerWaalsContact C-N 3.33Å; I1738-T1740 PolarHBondContact O-N 3.04Å; T1740-Q1742 PolarHBondContact O-N 2.91Å; T1740-Q1742 PolarHBondContact OG1-OE1 3.33Å; T1740-G1769 PolarHBondContact O-N 3.48Å
1741C85.2Confident77.8Confident3 Ų315 Ų152%0.029%0.085CC..THydrogen-bonded Turntrans50.444.6-178.7-1670000113.2Y1669 R1737 A1757 L1770 L1776Y1669-C1741 HydrophobicContact CE1-CB 3.94Å; Y1669-C1741 HydrophobicContact CE2-CB 4.06Å; Y1669-C1741 VanDerWaalsContact CE2-SG 3.51Å; Y1669-C1741 VanDerWaalsContact OH-CA 3.28Å; Y1669-C1741 WeakPolarHBondContact OH-CA 3.29Å; Y1669-C1741 PolarHBondContact OH-N 3.08Å; R1737-C1741 PolarHBondContact O-N 2.94Å; C1741-A1757 WeakPolarHBondContact O-CB 3.36Å; C1741-A1757 PolarHBondContact O-N 2.98Å; C1741-L1770 HydrophobicContact CB-CD2 3.71Å; C1741-L1770 HydrophobicContact CB-CG 4.1Å; C1741-L1776 HydrophobicContact CB-CD1 4.44Å
1742Q87.5Confident77.8Confident20 Ų2014.1 Ų14.19%0.0938%0.077CC..EExtended strand (participates in β ladder)trans-130.4150.4178.6-73.6168.5-42.200110.2R1737 T1740 L1754 V1755 E1768R1737-Q1742 PolarHBondContact N-O 3.22Å; T1740-Q1742 PolarHBondContact O-N 2.91Å; T1740-Q1742 PolarHBondContact OG1-OE1 3.33Å; Q1742-L1754 HydrophobicContact CB-CD2 4.49Å; Q1742-V1755 CarbonylContact C-O 3.59Å; Q1742-V1755 WeakPolarHBondContact CA-O 3.4Å; Q1742-E1768 HydrophobicContact CG-CB 4.1Å; Q1742-E1768 HydrophobicContact CG-CG 3.95Å; Q1742-E1768 PolarHBondContact NE2-OE2 2.85Å
1743I87.8Confident77.6Confident0 Ų013.7 Ų13.70%08%0.075CC..EExtended strand (participates in β ladder)trans-96.4120.8170.7-63.9172.2000108.5L1696 L1734 Y1735 L1736 V1745 V1755 A1757 I1786L1696-I1743 HydrophobicContact CD1-CD1 3.67Å; L1696-I1743 HydrophobicContact CD1-CG1 3.99Å; L1696-I1743 HydrophobicContact CD1-CG2 3.98Å; L1734-I1743 HydrophobicContact CD1-CG2 4.39Å; Y1735-I1743 CarbonylContact O-C 3.51Å; Y1735-I1743 WeakPolarHBondContact O-CA 3.47Å; L1736-I1743 HydrophobicContact CD1-CG1 4.07Å; I1743-V1745 HydrophobicContact CG2-CG2 3.72Å; I1743-V1755 PolarHBondContact N-O 3.41Å; I1743-V1755 PolarHBondContact O-N 3.35Å; I1743-A1757 HydrophobicContact CG1-CB 4.28Å; I1743-I1786 HydrophobicContact CD1-CD1 3.41Å; I1743-I1786 VanDerWaalsContact CD1-CD1 3.41Å
1744Q85.6Confident77.8Confident10 Ų1014.3 Ų14.35%0.0478%0.079CC..EExtended strand (participates in β ladder)trans-82.8120.2168-173.5-172.5-2400109.3L1734 Y1735 V1752 L1754L1734-Q1744 WeakPolarHBondContact CA-O 3.32Å; Y1735-Q1744 PolarHBondContact N-O 3.49Å; Y1735-Q1744 PolarHBondContact O-N 3.5Å; Q1744-V1752 HydrophobicContact CG-CG1 3.33Å; Q1744-L1754 HydrophobicContact CB-CD2 3.95Å; Q1744-L1754 HydrophobicContact CG-CD2 4.23Å
1745V85.5Confident77.6Confident0 Ų015.1 Ų15.10%08%0.084CC..EExtended strand (participates in β ladder)trans-118.8137179.5-169.20000109.3Y1733 L1734 I1743 V1752 C1753 V1755 M1795 F1798 V1799Y1733-V1745 VanDerWaalsContact O-CA 3.28Å; Y1733-V1745 WeakPolarHBondContact O-CA 3.19Å; L1734-V1745 HydrophobicContact CD1-CG1 4.14Å; L1734-V1745 HydrophobicContact CD1-CG2 4.04Å; I1743-V1745 HydrophobicContact CG2-CG2 3.72Å; V1745-V1752 CarbonylContact O-C 3.54Å; V1745-V1752 WeakPolarHBondContact O-CA 3.31Å; V1745-C1753 PolarHBondContact N-O 2.9Å; V1745-C1753 PolarHBondContact O-N 2.94Å; V1745-V1755 HydrophobicContact CG2-CG2 4.2Å; V1745-M1795 HydrophobicContact CG1-SD 3.6Å; V1745-M1795 VanDerWaalsContact CG1-SD 3.6Å; V1745-F1798 HydrophobicContact CG1-CD1 4.31Å; V1745-F1798 HydrophobicContact CG2-CE1 4.27Å; V1745-V1799 HydrophobicContact CB-CG2 4.09Å; V1745-V1799 HydrophobicContact CG1-CG2 3.63Å
1746S77.1Confident77.3Confident0 Ų016.5 Ų16.50%09%0.093CC..EExtended strand (participates in β ladder)trans-125.1155.2168.971.70000115.1A1731 Y1733 R1751A1731-S1746 PolarHBondContact O-OG 3.48Å; Y1733-S1746 WeakPolarHBondContact CB-OG 3.38Å; Y1733-S1746 WeakPolarHBondContact CD2-OG 3.46Å; Y1733-S1746 VanDerWaalsContact CG-OG 3.26Å; Y1733-S1746 PolarHBondContact N-OG 3.34Å; Y1733-S1746 PolarHBondContact O-N 3.35Å; Y1733-S1746 VanDerWaalsContact O-N 3.15Å; S1746-R1751 CarbonylContact C-O 3.59Å; S1746-R1751 WeakPolarHBondContact CA-O 3.37Å; S1746-R1751 WeakPolarHBondContact CB-O 3.26Å
1747A70.4Confident77.2Confident0 Ų016.6 Ų16.60%09%0.094CC..  trans-84.3164.416000000109.3I1210 R1751 P1796 V1799I1210-A1747 HydrophobicContact CD1-CB 4.44Å; A1747-R1751 HydrophobicContact CB-CB 4.23Å; A1747-R1751 PolarHBondContact N-O 2.64Å; A1747-P1796 HydrophobicContact CB-CB 3.97Å; A1747-V1799 HydrophobicContact CB-CB 4.32Å; A1747-V1799 HydrophobicContact CB-CG1 4.33Å
1748P60.3Low77.5Confident23 Ų2314.4 Ų14.415%0.1499%0.085CC..G310 helixtrans-44.3147.2151.4-24.534.9000110.2Q1126 P1796Q1126-P1748 HydrophobicContact CB-CG 4.44Å; P1748-P1796 HydrophobicContact CG-CG 4.4Å
1749G58.8Low77.9Confident12 Ų1213.7 Ų13.712%0.1248%0.082CC..G310 helixtrans80.122179.600000118.5R1751G1749-R1751 PolarHBondContact O-N 2.99Å
1750C58.6Low78.6Confident27 Ų2712.3 Ų12.318%0.1827%0.072CC..G310 helixtrans66.314.4171.3-56.60000115.1V1752C1750-V1752 PolarHBondContact O-N 3.23Å
1751R66.4Low79.1Confident51 Ų5111.6 Ų11.619%0.1927%0.067CC..BIsolated β-bridgetrans-72.8121.5166.8-59.3-178.6-172.5-131.6-5.9109.2E1201 S1746 A1747 G1749 V1799E1201-R1751 IonicContact OE2-NE 2.85Å; E1201-R1751 PolarHBondContact OE2-NE 3.48Å; S1746-R1751 CarbonylContact C-O 3.59Å; S1746-R1751 WeakPolarHBondContact CA-O 3.37Å; S1746-R1751 WeakPolarHBondContact CB-O 3.26Å; A1747-R1751 HydrophobicContact CB-CB 4.23Å; A1747-R1751 PolarHBondContact N-O 2.64Å; G1749-R1751 PolarHBondContact O-N 2.99Å; R1751-V1799 HydrophobicContact CB-CG1 4.08Å
1752V70.8Confident78.9Confident3 Ų317.7 Ų17.72%0.01810%0.099CC..EExtended strand (participates in β ladder)trans-122139.7-178.6-173.20000109.8Y1733 Q1744 V1745 C1750 L1810 L1812Y1733-V1752 HydrophobicContact CD2-CG2 3.95Å; Y1733-V1752 HydrophobicContact CE2-CG2 4.02Å; Q1744-V1752 HydrophobicContact CG-CG1 3.33Å; V1745-V1752 CarbonylContact O-C 3.54Å; V1745-V1752 WeakPolarHBondContact O-CA 3.31Å; C1750-V1752 PolarHBondContact O-N 3.23Å; V1752-L1810 WeakPolarHBondContact CB-O 3.4Å; V1752-L1812 HydrophobicContact CG2-CD1 4.33Å
1753C76Confident78.7Confident2 Ų218 Ų181%0.01410%0.101CC..EExtended strand (participates in β ladder)trans-128.5154.6168.269.90000110.1V1745 V1799 H1802 T1803V1745-C1753 PolarHBondContact N-O 2.9Å; V1745-C1753 PolarHBondContact O-N 2.94Å; C1753-V1799 HydrophobicContact CB-CG1 4.25Å; C1753-H1802 HydrophobicContact CB-CB 3.92Å; C1753-T1803 HydrophobicContact CB-CG2 4.12Å
1754L82.7Confident78.3Confident22 Ų2218.3 Ų18.312%0.11510%0.104CC..EExtended strand (participates in β ladder)trans-100.1135167.9-66.1176000109.1Q1742 Q1744 L1810Q1742-L1754 HydrophobicContact CB-CD2 4.49Å; Q1744-L1754 HydrophobicContact CB-CD2 3.95Å; Q1744-L1754 HydrophobicContact CG-CD2 4.23Å; L1754-L1810 HydrophobicContact CD1-CD1 3.49Å; L1754-L1810 VanDerWaalsContact CD1-CD1 3.49Å; L1754-L1810 HydrophobicContact CD2-CD1 4.46Å; L1754-L1810 HydrophobicContact CG-CD1 3.94Å
1755V83.4Confident78.2Confident18 Ų1818.3 Ų18.311%0.10910%0.104CC..EExtended strand (participates in β ladder)trans-126.5149.8176.7-177.60000108.2Q1742 I1743 V1745 A1757 F1798Q1742-V1755 CarbonylContact C-O 3.59Å; Q1742-V1755 WeakPolarHBondContact CA-O 3.4Å; I1743-V1755 PolarHBondContact N-O 3.41Å; I1743-V1755 PolarHBondContact O-N 3.35Å; V1745-V1755 HydrophobicContact CG2-CG2 4.2Å; V1755-A1757 PolarHBondContact O-N 3.4Å; V1755-F1798 HydrophobicContact CB-CE1 4.45Å; V1755-F1798 HydrophobicContact CB-CZ 4.42Å; V1755-F1798 HydrophobicContact CG1-CE1 4.32Å; V1755-F1798 HydrophobicContact CG1-CZ 3.85Å; V1755-F1798 HydrophobicContact CG2-CE1 3.64Å; V1755-F1798 HydrophobicContact CG2-CZ 3.82Å
1756S83.8Confident78.2Confident29 Ų2920.3 Ų20.320%0.20312%0.116CC..EExtended strand (participates in β ladder)trans-56.8133.5176.3-33.40000111.2E1768S1756-E1768 VanDerWaalsContact CB-OE1 3.32Å; S1756-E1768 WeakPolarHBondContact CB-OE1 3.39Å; S1756-E1768 PolarHBondContact OG-OE1 3.44Å
1757A87.7Confident78.4Confident1 Ų120.5 Ų20.51%0.00812%0.117CC..  trans-66.9158.1172.700000110.7L1736 C1741 I1743 V1755 Y1759L1736-A1757 HydrophobicContact CD1-CB 3.58Å; C1741-A1757 WeakPolarHBondContact O-CB 3.36Å; C1741-A1757 PolarHBondContact O-N 2.98Å; I1743-A1757 HydrophobicContact CG1-CB 4.28Å; V1755-A1757 PolarHBondContact O-N 3.4Å; A1757-Y1759 HydrophobicContact CB-CD2 4.07Å; A1757-Y1759 PolarHBondContact O-N 3.24Å
1758P89.2Confident78.6Confident0 Ų023.5 Ų23.50%013%0.131CC..SBendtrans-7651.5179.536.2-42.2000111.3L1665 F1778 N1779 M1782 Y1783L1665-P1758 HydrophobicContact CD1-CG 3.7Å; P1758-F1778 HydrophobicContact CB-CD2 4.39Å; P1758-F1778 HydrophobicContact CB-CE2 4.18Å; P1758-F1778 HydrophobicContact CG-CD2 4.27Å; P1758-F1778 HydrophobicContact CG-CE2 4.05Å; P1758-F1778 CarbonylContact O-C 3.56Å; P1758-F1778 WeakPolarHBondContact O-CA 3.16Å; P1758-N1779 PolarHBondContact O-N 3.36Å; P1758-M1782 HydrophobicContact CB-CB 4.01Å; P1758-Y1783 HydrophobicContact CB-CD2 4.25Å; P1758-Y1783 HydrophobicContact CB-CG 4.45Å; P1758-Y1783 HydrophobicContact CG-CD2 3.74Å; P1758-Y1783 HydrophobicContact CG-CG 4.28Å
1759Y89.4Confident79.2Confident1 Ų124 Ų240%0.00414%0.14CC..EExtended strand (participates in β ladder)trans-135.5123.6-178.9-73.1-83.5000109.4L1665 P1666 Y1669 L1736 A1757 F1777 F1778L1665-Y1759 HydrophobicContact CD1-CE2 4.34Å; P1666-Y1759 WeakPolarHBondContact CD-OH 3.36Å; P1666-Y1759 WeakPolarHBondContact O-CE1 3.24Å; P1666-Y1759 PolarHBondContact O-OH 3.48Å; P1666-Y1759 VanDerWaalsContact O-OH 3.12Å; Y1669-Y1759 AromaticContact CD2-CD1 3.83Å; Y1669-Y1759 HydrophobicContact CD2-CD1 3.83Å; Y1669-Y1759 AromaticContact CD2-CD2 3.5Å; Y1669-Y1759 HydrophobicContact CD2-CD2 3.5Å; Y1669-Y1759 AromaticContact CD2-CE1 3.9Å; Y1669-Y1759 HydrophobicContact CD2-CE1 3.9Å; Y1669-Y1759 AromaticContact CD2-CE2 3.57Å; Y1669-Y1759 HydrophobicContact CD2-CE2 3.57Å; Y1669-Y1759 AromaticContact CD2-CG 3.62Å; Y1669-Y1759 HydrophobicContact CD2-CG 3.62Å; Y1669-Y1759 AromaticContact CD2-CZ 3.75Å; Y1669-Y1759 AromaticContact CE2-CD2 3.94Å; Y1669-Y1759 HydrophobicContact CE2-CD2 3.94Å; Y1669-Y1759 AromaticContact CE2-CE2 3.97Å; Y1669-Y1759 HydrophobicContact CE2-CE2 3.97Å; Y1669-Y1759 HydrophobicContact CE2-CG 4.44Å; Y1669-Y1759 HydrophobicContact CG-CD1 4.29Å; Y1669-Y1759 HydrophobicContact CG-CE1 4.5Å; Y1669-Y1759 HydrophobicContact CG-CG 4.33Å; L1736-Y1759 HydrophobicContact CD2-CE2 4.3Å; A1757-Y1759 HydrophobicContact CB-CD2 4.07Å; A1757-Y1759 PolarHBondContact O-N 3.24Å; Y1759-F1777 CarbonylContact C-O 3.51Å; Y1759-F1777 VanDerWaalsContact CA-O 3.28Å; Y1759-F1777 WeakPolarHBondContact CA-O 3.18Å; Y1759-F1778 HydrophobicContact CD1-CB 4.32Å; Y1759-F1778 HydrophobicContact CE1-CB 3.99Å
1760V88Confident79.9Confident15 Ų1525.2 Ų25.29%0.09114%0.144CC..EExtended strand (participates in β ladder)trans-129.3150.4-176.6-61.70000111.3E1765 T1766 F1777 N1779 M1782V1760-E1765 CarbonylContact C-O 3.6Å; V1760-E1765 VanDerWaalsContact CA-O 3.24Å; V1760-E1765 WeakPolarHBondContact CA-O 3.36Å; V1760-T1766 HydrophobicContact CG1-CG2 3.96Å; V1760-F1777 PolarHBondContact N-O 2.93Å; V1760-F1777 PolarHBondContact O-N 3.47Å; V1760-N1779 HydrophobicContact CG1-CB 4.39Å; V1760-N1779 HydrophobicContact CG2-CB 4.19Å; V1760-M1782 HydrophobicContact CG1-SD 3.86Å
1761D86.5Confident80.5Confident7 Ų728.7 Ų28.74%0.03716%0.164CC..  trans-77.4-178.2171.562.526.8000112.4H1763 G1764 E1765 R1772 N1774 L1776D1761-H1763 PolarHBondContact O-N 3.17Å; D1761-H1763 VanDerWaalsContact O-N 3.13Å; D1761-H1763 WeakPolarHBondContact OD1-CA 3.31Å; D1761-H1763 WeakPolarHBondContact OD1-CB 3.19Å; D1761-H1763 PolarHBondContact OD1-N 3.24Å; D1761-G1764 PolarHBondContact O-N 2.97Å; D1761-G1764 PolarHBondContact OD1-N 2.68Å; D1761-G1764 VanDerWaalsContact OD1-N 3.13Å; D1761-E1765 PolarHBondContact N-O 3.33Å; D1761-E1765 PolarHBondContact OD1-N 2.76Å; D1761-R1772 IonicContact OD2-CZ 3.74Å; D1761-R1772 IonicContact OD2-NH1 3.72Å; D1761-R1772 IonicContact OD2-NH2 2.89Å; D1761-R1772 PolarHBondContact OD2-NH2 2.92Å; D1761-N1774 HydrophobicContact CB-CB 4.16Å; D1761-L1776 HydrophobicContact CB-CD2 4.11Å
1762D81.4Confident80.9Confident130 Ų13027.9 Ų27.970%0.69516%0.161SC*.THydrogen-bonded Turntrans-60.6-19.3178.4-72.1-22.2000113.8F1777D1762-F1777 WeakPolarHBondContact OD1-CE2 3.33Å
1763H82.6Confident81Confident27 Ų2728.4 Ų28.413%0.12517%0.165CC..THydrogen-bonded Turntrans-92.70.9175.5-56.4-53.3000112.4F789 F815 G824 Y826 D1761 E1765F789-H1763 HydrophobicContact CB-CB 3.91Å; F789-H1763 AromaticContact CD1-CD2 3.47Å; F789-H1763 VanDerWaalsContact CD1-CD2 3.47Å; F789-H1763 WeakPolarHBondContact CD1-CD2 3.48Å; F789-H1763 AromaticContact CD1-NE2 3.44Å; F789-H1763 WeakPolarHBondContact CD1-NE2 3.31Å; F789-H1763 AromaticContact CD2-CE1 3.94Å; F789-H1763 AromaticContact CE1-NE2 3.7Å; F789-H1763 AromaticContact CG-CD2 3.54Å; F789-H1763 AromaticContact CG-CE1 3.92Å; F789-H1763 AromaticContact CG-CG 3.84Å; F789-H1763 AromaticContact CG-NE2 3.6Å; F815-H1763 WeakPolarHBondContact CE2-O 3.26Å; G824-H1763 VanDerWaalsContact CA-O 3.28Å; G824-H1763 WeakPolarHBondContact CA-O 3.3Å; G824-H1763 PolarHBondContact N-O 2.91Å; Y826-H1763 PolarHBondContact OH-ND1 3.45Å; Y826-H1763 VanDerWaalsContact OH-ND1 3.08Å; D1761-H1763 PolarHBondContact O-N 3.17Å; D1761-H1763 VanDerWaalsContact O-N 3.13Å; D1761-H1763 WeakPolarHBondContact OD1-CA 3.31Å; D1761-H1763 WeakPolarHBondContact OD1-CB 3.19Å; D1761-H1763 PolarHBondContact OD1-N 3.24Å; H1763-E1765 HydrophobicContact CB-CG 4.43Å
1764G80.2Confident81.3Confident6 Ų629.4 Ų29.46%0.06217%0.17CC..SBendtrans76.923.7-179.200000113.1G823 G824 D1761G823-G1764 WeakPolarHBondContact CA-O 3.17Å; G824-G1764 PolarHBondContact N-O 2.95Å; D1761-G1764 PolarHBondContact O-N 2.97Å; D1761-G1764 PolarHBondContact OD1-N 2.68Å; D1761-G1764 VanDerWaalsContact OD1-N 3.13Å
1765E84.3Confident81.3Confident11 Ų1129.3 Ų29.35%0.05117%0.171CC..  trans-106.8146.5-179.8-59.6176.5-147.200112.1T788 F789 S790 V1760 D1761 H1763 R1772T788-E1765 VanDerWaalsContact CB-CD 3.44Å; T788-E1765 WeakPolarHBondContact CB-OE1 3.36Å; T788-E1765 PolarHBondContact OG1-OE2 2.91Å; F789-E1765 WeakPolarHBondContact CA-OE1 3.46Å; F789-E1765 VanDerWaalsContact CB-OE1 3.3Å; F789-E1765 WeakPolarHBondContact CB-OE1 3.11Å; F789-E1765 PolarHBondContact N-OE1 2.71Å; S790-E1765 WeakPolarHBondContact CB-OE2 3.25Å; S790-E1765 PolarHBondContact N-OE1 2.8Å; S790-E1765 VanDerWaalsContact N-OE1 3.14Å; S790-E1765 PolarHBondContact N-OE2 3.47Å; S790-E1765 PolarHBondContact OG-OE2 3.2Å; V1760-E1765 CarbonylContact C-O 3.6Å; V1760-E1765 VanDerWaalsContact CA-O 3.24Å; V1760-E1765 WeakPolarHBondContact CA-O 3.36Å; D1761-E1765 PolarHBondContact N-O 3.33Å; D1761-E1765 PolarHBondContact OD1-N 2.76Å; H1763-E1765 HydrophobicContact CB-CG 4.43Å; E1765-R1772 PolarHBondContact O-NH2 2.6Å; E1765-R1772 IonicContact OE2-CZ 3.57Å; E1765-R1772 IonicContact OE2-NH1 3.44Å; E1765-R1772 PolarHBondContact OE2-NH1 2.89Å
1766T84.9Confident81.5Confident42 Ų4228.6 Ų28.626%0.25817%0.166SC..  trans-86.9136.9175.953.50000110.6V1760 R1772 M1782V1760-T1766 HydrophobicContact CG1-CG2 3.96Å; T1766-R1772 PolarHBondContact O-NH2 2.92Å; T1766-M1782 HydrophobicContact CG2-CE 3.91Å; T1766-M1782 HydrophobicContact CG2-SD 4.47Å
1767D80.9Confident81.7Confident3 Ų330.4 Ų30.42%0.01617%0.171CC..  trans-103.178.3177.7-165.823.1000111.7G1769 L1770 T1771 R1772 S1773 L1776D1767-G1769 PolarHBondContact O-N 3.38Å; D1767-L1770 PolarHBondContact O-N 2.64Å; D1767-L1770 VanDerWaalsContact O-N 3.12Å; D1767-L1770 WeakPolarHBondContact OD2-CA 3.34Å; D1767-T1771 PolarHBondContact OD1-N 3.48Å; D1767-R1772 WeakPolarHBondContact OD1-CB 3.39Å; D1767-R1772 WeakPolarHBondContact OD1-CG 3.32Å; D1767-R1772 IonicContact OD1-CZ 2.97Å; D1767-R1772 PolarHBondContact OD1-N 2.93Å; D1767-R1772 VanDerWaalsContact OD1-N 3.16Å; D1767-R1772 IonicContact OD1-NE 3.23Å; D1767-R1772 PolarHBondContact OD1-NE 2.85Å; D1767-R1772 PolarHBondContact OD2-N 3.48Å; D1767-R1772 VanDerWaalsContact OD2-N 3.14Å; D1767-S1773 PolarHBondContact OD2-N 2.89Å; D1767-S1773 VanDerWaalsContact OD2-N 3.1Å; D1767-L1776 HydrophobicContact CB-CD1 4.06Å; D1767-L1776 HydrophobicContact CB-CD2 3.88Å; D1767-L1776 HydrophobicContact CB-CG 4.45Å
1768E75.4Confident81.8Confident64 Ų6432.8 Ų32.830%0.29918%0.181SC..G310 helixtrans-67.5124.9179.1-63.1-172.7-167.300110.9Q1742 S1756 L1770Q1742-E1768 HydrophobicContact CG-CB 4.1Å; Q1742-E1768 HydrophobicContact CG-CG 3.95Å; Q1742-E1768 PolarHBondContact NE2-OE2 2.85Å; S1756-E1768 VanDerWaalsContact CB-OE1 3.32Å; S1756-E1768 WeakPolarHBondContact CB-OE1 3.39Å; S1756-E1768 PolarHBondContact OG-OE1 3.44Å; E1768-L1770 VanDerWaalsContact C-N 3.28Å; E1768-L1770 PolarHBondContact O-N 2.73Å
1769G72.7Confident81.8Confident33 Ų3334.1 Ų34.134%0.3419%0.188SC..G310 helixtrans80.32.3-173.900000114.8T1740 D1767 T1771T1740-G1769 PolarHBondContact O-N 3.48Å; D1767-G1769 PolarHBondContact O-N 3.38Å; G1769-T1771 PolarHBondContact O-N 3.47Å
1770L74.1Confident81.6Confident38 Ų3840.3 Ų40.320%0.19922%0.215CC..G310 helixtrans54.635.5178.3-58.7172.9000113.6Y1669 C1741 D1767 E1768 L1776Y1669-L1770 HydrophobicContact CD1-CD2 4.25Å; Y1669-L1770 HydrophobicContact CE1-CD1 4.03Å; Y1669-L1770 HydrophobicContact CE1-CD2 4.06Å; C1741-L1770 HydrophobicContact CB-CD2 3.71Å; C1741-L1770 HydrophobicContact CB-CG 4.1Å; D1767-L1770 PolarHBondContact O-N 2.64Å; D1767-L1770 VanDerWaalsContact O-N 3.12Å; D1767-L1770 WeakPolarHBondContact OD2-CA 3.34Å; E1768-L1770 VanDerWaalsContact C-N 3.28Å; E1768-L1770 PolarHBondContact O-N 2.73Å; L1770-L1776 HydrophobicContact CD2-CD1 3.77Å
1771T70.5Confident81.3Confident99 Ų9943.2 Ų43.261%0.60723%0.233SC*.  trans-86.1-22.7-172.961.80000113.7D1767 G1769D1767-T1771 PolarHBondContact OD1-N 3.48Å; G1769-T1771 PolarHBondContact O-N 3.47Å
1772R73.9Confident81.2Confident34 Ų3444.2 Ų44.213%0.12824%0.238CC..SBendtrans-85.9-20.5177.9-59.7177.4-61.816619.9111.6S790 D1761 E1765 T1766 D1767 N1774S790-R1772 WeakPolarHBondContact OG-CD 3.35Å; S790-R1772 PolarHBondContact OG-NH1 2.9Å; D1761-R1772 IonicContact OD2-CZ 3.74Å; D1761-R1772 IonicContact OD2-NH1 3.72Å; D1761-R1772 IonicContact OD2-NH2 2.89Å; D1761-R1772 PolarHBondContact OD2-NH2 2.92Å; E1765-R1772 PolarHBondContact O-NH2 2.6Å; E1765-R1772 IonicContact OE2-CZ 3.57Å; E1765-R1772 IonicContact OE2-NH1 3.44Å; E1765-R1772 PolarHBondContact OE2-NH1 2.89Å; T1766-R1772 PolarHBondContact O-NH2 2.92Å; D1767-R1772 WeakPolarHBondContact OD1-CB 3.39Å; D1767-R1772 WeakPolarHBondContact OD1-CG 3.32Å; D1767-R1772 IonicContact OD1-CZ 2.97Å; D1767-R1772 PolarHBondContact OD1-N 2.93Å; D1767-R1772 VanDerWaalsContact OD1-N 3.16Å; D1767-R1772 IonicContact OD1-NE 3.23Å; D1767-R1772 PolarHBondContact OD1-NE 2.85Å; D1767-R1772 PolarHBondContact OD2-N 3.48Å; D1767-R1772 VanDerWaalsContact OD2-N 3.14Å; R1772-N1774 PolarHBondContact O-N 2.92Å
1773S74.2Confident81.6Confident15 Ų1538.6 Ų38.611%0.10521%0.207CC..  trans64.622.2174.5-61.90000113.5M142 I143 T144 D1767M142-S1773 CarbonylContact C-O 3.35Å; M142-S1773 WeakPolarHBondContact CA-O 3.08Å; M142-S1773 WeakPolarHBondContact CB-O 3.3Å; I143-S1773 PolarHBondContact N-O 3.28Å; I143-S1773 WeakPolarHBondContact O-CA 3.42Å; I143-S1773 WeakPolarHBondContact O-CB 3.24Å; I143-S1773 PolarHBondContact O-OG 3.03Å; T144-S1773 VanDerWaalsContact CG2-OG 3.27Å; T144-S1773 WeakPolarHBondContact CG2-OG 3.11Å; D1767-S1773 PolarHBondContact OD2-N 2.89Å; D1767-S1773 VanDerWaalsContact OD2-N 3.1Å
1774N80.9Confident81.8Confident22 Ų2242 Ų4212%0.11822%0.223CC..  trans-80.5150176.1-69.7-24.9000110.8R116 D1761 R1772R116-N1774 PolarHBondContact NH2-OD1 3.36Å; D1761-N1774 HydrophobicContact CB-CB 4.16Å; R1772-N1774 PolarHBondContact O-N 2.92Å
1775P82.8Confident81.9Confident20 Ų2044.7 Ų44.713%0.1323%0.234CC..  trans-59.6138.2169.2-20.832.7000111.2Y141 F1777Y141-P1775 HydrophobicContact CD2-CG 4.31Å; Y141-P1775 HydrophobicContact CE1-CG 4.06Å; Y141-P1775 HydrophobicContact CE2-CG 3.79Å; P1775-F1777 HydrophobicContact CB-CE2 4.22Å; P1775-F1777 HydrophobicContact CB-CZ 4.13Å
1776L88.1Confident82.1Confident3 Ų344.5 Ų44.52%0.01623%0.233CC..  trans-121.3139.1-177.8-58.1173.9000112.4Y1669 C1741 D1761 D1767 L1770Y1669-L1776 HydrophobicContact CD1-CD1 4.45Å; Y1669-L1776 HydrophobicContact CG-CD1 4.43Å; Y1669-L1776 PolarHBondContact N-O 2.96Å; C1741-L1776 HydrophobicContact CB-CD1 4.44Å; D1761-L1776 HydrophobicContact CB-CD2 4.11Å; D1767-L1776 HydrophobicContact CB-CD1 4.06Å; D1767-L1776 HydrophobicContact CB-CD2 3.88Å; D1767-L1776 HydrophobicContact CB-CG 4.45Å; L1770-L1776 HydrophobicContact CD2-CD1 3.77Å
1777F88.2Confident82.2Confident68 Ų6843.5 Ų43.530%0.29823%0.225SC..EExtended strand (participates in β ladder)trans-123.9142.2-173.7-55.2-80.1000112L1667 K1668 Y1759 V1760 D1762 P1775 N1779L1667-F1777 WeakPolarHBondContact O-CA 3.33Å; K1668-F1777 HydrophobicContact CD-CE1 4.43Å; K1668-F1777 HydrophobicContact CG-CD1 4.06Å; K1668-F1777 HydrophobicContact CG-CE1 4.15Å; Y1759-F1777 CarbonylContact C-O 3.51Å; Y1759-F1777 VanDerWaalsContact CA-O 3.28Å; Y1759-F1777 WeakPolarHBondContact CA-O 3.18Å; V1760-F1777 PolarHBondContact N-O 2.93Å; V1760-F1777 PolarHBondContact O-N 3.47Å; D1762-F1777 WeakPolarHBondContact OD1-CE2 3.33Å; P1775-F1777 HydrophobicContact CB-CE2 4.22Å; P1775-F1777 HydrophobicContact CB-CZ 4.13Å; F1777-N1779 PolarHBondContact O-N 3.37Å
1778F90.3Very high82.5Confident50 Ų5046.1 Ų46.122%0.21924%0.239CC..EExtended strand (participates in β ladder)trans-62.5122.7-177.4176.9-110.8000112.2L1665 P1666 L1667 P1758 Y1759 K1780 Y1783L1665-F1778 HydrophobicContact CB-CD2 4.07Å; L1665-F1778 HydrophobicContact CB-CE2 3.92Å; L1665-F1778 HydrophobicContact CD1-CE2 4.1Å; L1665-F1778 HydrophobicContact CG-CE2 4.5Å; P1666-F1778 WeakPolarHBondContact O-CB 3.39Å; L1667-F1778 HydrophobicContact CD2-CD1 4.43Å; L1667-F1778 WeakPolarHBondContact O-CB 3.37Å; L1667-F1778 PolarHBondContact O-N 3.38Å; P1758-F1778 HydrophobicContact CB-CD2 4.39Å; P1758-F1778 HydrophobicContact CB-CE2 4.18Å; P1758-F1778 HydrophobicContact CG-CD2 4.27Å; P1758-F1778 HydrophobicContact CG-CE2 4.05Å; P1758-F1778 CarbonylContact O-C 3.56Å; P1758-F1778 WeakPolarHBondContact O-CA 3.16Å; Y1759-F1778 HydrophobicContact CD1-CB 4.32Å; Y1759-F1778 HydrophobicContact CE1-CB 3.99Å; F1778-K1780 HydrophobicContact CD1-CB 4.5Å; F1778-K1780 HydrophobicContact CE1-CB 3.88Å; F1778-K1780 HydrophobicContact CE1-CG 4.4Å; F1778-Y1783 HydrophobicContact CE2-CD1 4.15Å; F1778-Y1783 AromaticContact CE2-CG 3.91Å; F1778-Y1783 HydrophobicContact CE2-CG 3.91Å; F1778-Y1783 AromaticContact CZ-CD1 3.89Å; F1778-Y1783 HydrophobicContact CZ-CD1 3.89Å; F1778-Y1783 HydrophobicContact CZ-CG 4.01Å
1779N88.1Confident83Confident29 Ų2945.2 Ų45.216%0.15523%0.234CC..  trans-99.6100.9174.1-169.9-49.9000110.2P1758 V1760 F1777 T1781 M1782 Y1783P1758-N1779 PolarHBondContact O-N 3.36Å; V1760-N1779 HydrophobicContact CG1-CB 4.39Å; V1760-N1779 HydrophobicContact CG2-CB 4.19Å; F1777-N1779 PolarHBondContact O-N 3.37Å; N1779-T1781 VanDerWaalsContact C-N 3.29Å; N1779-T1781 PolarHBondContact O-N 2.97Å; N1779-T1781 WeakPolarHBondContact OD1-CB 3.44Å; N1779-T1781 PolarHBondContact OD1-N 3.42Å; N1779-T1781 VanDerWaalsContact OD1-N 3.13Å; N1779-M1782 HydrophobicContact CB-CB 4.26Å; N1779-M1782 HydrophobicContact CB-CG 4.14Å; N1779-M1782 HydrophobicContact CB-SD 3.95Å; N1779-M1782 PolarHBondContact O-N 2.81Å; N1779-M1782 PolarHBondContact OD1-N 3.27Å; N1779-M1782 VanDerWaalsContact OD1-N 3.09Å; N1779-Y1783 PolarHBondContact O-N 2.58Å
1780K85.3Confident83.6Confident130 Ų13044 Ų4457%0.56522%0.219SC*.Hα-helixtrans-57.1-40.3-179.3-177.8172.3170.1177.70112.8F1778 Y1783 E1784F1778-K1780 HydrophobicContact CD1-CB 4.5Å; F1778-K1780 HydrophobicContact CE1-CB 3.88Å; F1778-K1780 HydrophobicContact CE1-CG 4.4Å; K1780-Y1783 PolarHBondContact O-N 2.64Å; K1780-E1784 WeakPolarHBondContact CE-OE1 3.37Å; K1780-E1784 HydrophobicContact CG-CG 4.29Å; K1780-E1784 IonicContact NZ-OE1 3.59Å; K1780-E1784 WeakPolarHBondContact O-CG 3.2Å; K1780-E1784 PolarHBondContact O-N 3.31Å
1781T81.8Confident84.1Confident76 Ų7642.7 Ų42.747%0.46621%0.212SC..Hα-helixtrans-66.9-40-175.9-40.20000112.3V820 N1779 Y1783 H1785V820-T1781 HydrophobicContact CG2-CG2 3.61Å; N1779-T1781 VanDerWaalsContact C-N 3.29Å; N1779-T1781 PolarHBondContact O-N 2.97Å; N1779-T1781 WeakPolarHBondContact OD1-CB 3.44Å; N1779-T1781 PolarHBondContact OD1-N 3.42Å; N1779-T1781 VanDerWaalsContact OD1-N 3.13Å; T1781-Y1783 VanDerWaalsContact C-N 3.33Å; T1781-H1785 PolarHBondContact O-N 3.32Å
1782M84.5Confident84.7Confident28 Ų2838.5 Ų38.514%0.13819%0.187CC..Hα-helixtrans-63.3-41174.1-71178.469.500111.4P1758 V1760 T1766 N1779 H1785 I1786P1758-M1782 HydrophobicContact CB-CB 4.01Å; V1760-M1782 HydrophobicContact CG1-SD 3.86Å; T1766-M1782 HydrophobicContact CG2-CE 3.91Å; T1766-M1782 HydrophobicContact CG2-SD 4.47Å; N1779-M1782 HydrophobicContact CB-CB 4.26Å; N1779-M1782 HydrophobicContact CB-CG 4.14Å; N1779-M1782 HydrophobicContact CB-SD 3.95Å; N1779-M1782 PolarHBondContact O-N 2.81Å; N1779-M1782 PolarHBondContact OD1-N 3.27Å; N1779-M1782 VanDerWaalsContact OD1-N 3.09Å; M1782-H1785 WeakPolarHBondContact O-CB 3.22Å; M1782-H1785 PolarHBondContact O-N 2.93Å; M1782-I1786 PolarHBondContact O-N 3.21Å
1783Y89.5Confident85.3Confident13 Ų1337.3 Ų37.35%0.05118%0.183CC..Hα-helixtrans-68.8-41.8-179.4-165.4-122.3000112.7L1662 I1663 L1665 L1696 P1758 F1778 N1779 K1780 T1781 H1785 I1786 Q1787L1662-Y1783 HydrophobicContact CB-CE1 4.26Å; L1662-Y1783 WeakPolarHBondContact CB-OH 3.32Å; L1662-Y1783 HydrophobicContact CD1-CE2 4.3Å; I1663-Y1783 WeakPolarHBondContact O-CE1 3.34Å; I1663-Y1783 PolarHBondContact O-OH 3.26Å; L1665-Y1783 HydrophobicContact CD1-CD2 3.87Å; L1665-Y1783 HydrophobicContact CD1-CE2 3.55Å; L1665-Y1783 HydrophobicContact CD1-CG 4.48Å; L1665-Y1783 HydrophobicContact CG-CE2 4.22Å; L1696-Y1783 HydrophobicContact CD1-CE2 4.24Å; L1696-Y1783 HydrophobicContact CD2-CE2 4.36Å; P1758-Y1783 HydrophobicContact CB-CD2 4.25Å; P1758-Y1783 HydrophobicContact CB-CG 4.45Å; P1758-Y1783 HydrophobicContact CG-CD2 3.74Å; P1758-Y1783 HydrophobicContact CG-CG 4.28Å; F1778-Y1783 HydrophobicContact CE2-CD1 4.15Å; F1778-Y1783 AromaticContact CE2-CG 3.91Å; F1778-Y1783 HydrophobicContact CE2-CG 3.91Å; F1778-Y1783 AromaticContact CZ-CD1 3.89Å; F1778-Y1783 HydrophobicContact CZ-CD1 3.89Å; F1778-Y1783 HydrophobicContact CZ-CG 4.01Å; N1779-Y1783 PolarHBondContact O-N 2.58Å; K1780-Y1783 PolarHBondContact O-N 2.64Å; T1781-Y1783 VanDerWaalsContact C-N 3.33Å; Y1783-H1785 PolarHBondContact O-N 3.41Å; Y1783-I1786 PolarHBondContact O-N 3.29Å; Y1783-Q1787 PolarHBondContact O-N 2.83Å
1784E86.2Confident85.7Confident99 Ų9938 Ų3846%0.46319%0.188SC..Hα-helixtrans-59.5-33.8174.8-75.1176.3164.100111.9K1780 Q1787 L1788K1780-E1784 WeakPolarHBondContact CE-OE1 3.37Å; K1780-E1784 HydrophobicContact CG-CG 4.29Å; K1780-E1784 IonicContact NZ-OE1 3.59Å; K1780-E1784 WeakPolarHBondContact O-CG 3.2Å; K1780-E1784 PolarHBondContact O-N 3.31Å; E1784-Q1787 PolarHBondContact O-N 3.41Å; E1784-L1788 WeakPolarHBondContact O-CB 3.38Å; E1784-L1788 PolarHBondContact O-N 3.04Å
1785H84.1Confident85.9Confident61 Ų6137 Ų3728%0.28218%0.182SC..Hα-helixtrans-67-42.2175.9-169.964.8000113.3V820 T1781 M1782 Y1783 L1788 K1789V820-H1785 HydrophobicContact CG1-CB 3.54Å; T1781-H1785 PolarHBondContact O-N 3.32Å; M1782-H1785 WeakPolarHBondContact O-CB 3.22Å; M1782-H1785 PolarHBondContact O-N 2.93Å; Y1783-H1785 PolarHBondContact O-N 3.41Å; H1785-L1788 PolarHBondContact O-N 3.33Å; H1785-K1789 WeakPolarHBondContact NE2-CE 3.26Å; H1785-K1789 WeakPolarHBondContact O-CG 3.35Å; H1785-K1789 PolarHBondContact O-N 2.82Å; H1785-K1789 VanDerWaalsContact O-N 3.14Å
1786I87.4Confident85.8Confident7 Ų736.1 Ų36.14%0.03618%0.176CC..Hα-helixtrans-65.5-44175.3-64.4175.6000109.9L1662 L1734 I1743 M1782 Y1783 L1788 K1789 W1790L1662-I1786 HydrophobicContact CD1-CG2 4.35Å; L1734-I1786 HydrophobicContact CD1-CG2 4.08Å; L1734-I1786 HydrophobicContact CD2-CG2 4.33Å; I1743-I1786 HydrophobicContact CD1-CD1 3.41Å; I1743-I1786 VanDerWaalsContact CD1-CD1 3.41Å; M1782-I1786 PolarHBondContact O-N 3.21Å; Y1783-I1786 PolarHBondContact O-N 3.29Å; I1786-L1788 PolarHBondContact O-N 3.07Å; I1786-K1789 PolarHBondContact O-N 3.46Å; I1786-W1790 PolarHBondContact O-N 3.1Å; I1786-W1790 VanDerWaalsContact O-N 3.07Å
1787Q87.6Confident85.3Confident22 Ų2237.3 Ų37.310%0.10318%0.182CC..Hα-helixtrans-60-45.8177.1-172.1174.3-71.800111.6L1662 Y1783 E1784 K1789 W1790 M1791L1662-Q1787 HydrophobicContact CD1-CB 4Å; L1662-Q1787 HydrophobicContact CD1-CG 4.3Å; L1662-Q1787 HydrophobicContact CG-CB 4.39Å; L1662-Q1787 HydrophobicContact CG-CG 4.14Å; Y1783-Q1787 PolarHBondContact O-N 2.83Å; E1784-Q1787 PolarHBondContact O-N 3.41Å; Q1787-K1789 PolarHBondContact O-N 3.02Å; Q1787-W1790 PolarHBondContact O-N 3.33Å; Q1787-M1791 HydrophobicContact CG-CE 3.91Å; Q1787-M1791 HydrophobicContact CG-CG 4.41Å; Q1787-M1791 HydrophobicContact CG-SD 4.06Å; Q1787-M1791 WeakPolarHBondContact O-CG 3.34Å; Q1787-M1791 PolarHBondContact O-N 3.1Å
1788L86.2Confident85Confident58 Ų5834.7 Ų34.730%0.30417%0.17SC..Hα-helixtrans-58.1-49.7177.9-177.163.5000111.2L1401 E1784 H1785 I1786 W1790 M1791 T1792L1401-L1788 HydrophobicContact CB-CD1 4.37Å; E1784-L1788 WeakPolarHBondContact O-CB 3.38Å; E1784-L1788 PolarHBondContact O-N 3.04Å; H1785-L1788 PolarHBondContact O-N 3.33Å; I1786-L1788 PolarHBondContact O-N 3.07Å; L1788-W1790 VanDerWaalsContact C-N 3.26Å; L1788-W1790 PolarHBondContact O-N 3.36Å; L1788-M1791 HydrophobicContact CD1-CE 4.44Å; L1788-M1791 PolarHBondContact O-N 3.32Å; L1788-T1792 HydrophobicContact CD1-CG2 4.08Å; L1788-T1792 HydrophobicContact CG-CG2 4.42Å; L1788-T1792 WeakPolarHBondContact O-CG2 3.14Å; L1788-T1792 PolarHBondContact O-N 2.93Å; L1788-T1792 PolarHBondContact O-OG1 2.63Å
1789K86.8Confident84.4Confident44 Ų4432.3 Ų32.319%0.19116%0.16CC..Hα-helixtrans-62.2-30.4179-73.2176.5173.5-76.20113.8H1785 I1786 Q1787 S1794 M1795 F1798H1785-K1789 WeakPolarHBondContact NE2-CE 3.26Å; H1785-K1789 WeakPolarHBondContact O-CG 3.35Å; H1785-K1789 PolarHBondContact O-N 2.82Å; H1785-K1789 VanDerWaalsContact O-N 3.14Å; I1786-K1789 PolarHBondContact O-N 3.46Å; Q1787-K1789 PolarHBondContact O-N 3.02Å; K1789-S1794 PolarHBondContact O-N 3.35Å; K1789-M1795 HydrophobicContact CB-CE 3.11Å; K1789-M1795 HydrophobicContact CD-CE 3.99Å; K1789-M1795 HydrophobicContact CG-CE 4.21Å; K1789-M1795 PolarHBondContact O-N 3.36Å; K1789-F1798 HydrophobicContact CD-CB 4.15Å; K1789-F1798 HydrophobicContact CD-CD1 4.34Å; K1789-F1798 HydrophobicContact CD-CD2 3.52Å; K1789-F1798 HydrophobicContact CD-CE2 3.84Å; K1789-F1798 HydrophobicContact CD-CG 3.77Å; K1789-F1798 HydrophobicContact CD-CZ 4.39Å
1790W85.8Confident83.7Confident7 Ų731 Ų313%0.02715%0.153CC..Hα-helixtrans-74-43.1174.7176.662.9000111.5E1660 L1662 V1697 I1786 Q1787 L1788 T1792 H1793 M1795E1660-W1790 WeakPolarHBondContact O-CZ3 3.33Å; L1662-W1790 HydrophobicContact CD2-CD2 3.87Å; L1662-W1790 HydrophobicContact CD2-CE3 3.4Å; L1662-W1790 VanDerWaalsContact CD2-CE3 3.4Å; L1662-W1790 HydrophobicContact CD2-CH2 4.2Å; L1662-W1790 HydrophobicContact CD2-CZ3 3.56Å; L1662-W1790 HydrophobicContact CG-CE3 3.84Å; L1662-W1790 HydrophobicContact CG-CZ3 4.12Å; V1697-W1790 HydrophobicContact CG1-CH2 4.17Å; V1697-W1790 HydrophobicContact CG1-CZ2 4Å; V1697-W1790 HydrophobicContact CG2-CZ2 4.06Å; I1786-W1790 PolarHBondContact O-N 3.1Å; I1786-W1790 VanDerWaalsContact O-N 3.07Å; Q1787-W1790 PolarHBondContact O-N 3.33Å; L1788-W1790 VanDerWaalsContact C-N 3.26Å; L1788-W1790 PolarHBondContact O-N 3.36Å; W1790-T1792 VanDerWaalsContact C-N 3.3Å; W1790-T1792 PolarHBondContact O-N 3.47Å; W1790-H1793 PolarHBondContact O-N 3.3Å; W1790-M1795 HydrophobicContact CB-CG 3.99Å; W1790-M1795 HydrophobicContact CB-SD 4.36Å; W1790-M1795 HydrophobicContact CG-CG 4.49Å
1791M84.3Confident83Confident12 Ų1230.7 Ų30.76%0.05915%0.152CC..Hα-helixtrans-66.3-29.2177.5-67.6-176.5-53.700113.1L1401 Q1787 L1788 H1793L1401-M1791 HydrophobicContact CD1-CB 3.99Å; L1401-M1791 HydrophobicContact CD1-CE 3.96Å; L1401-M1791 HydrophobicContact CD1-SD 4.19Å; L1401-M1791 HydrophobicContact CD2-CE 3.88Å; L1401-M1791 HydrophobicContact CD2-SD 4.39Å; Q1787-M1791 HydrophobicContact CG-CE 3.91Å; Q1787-M1791 HydrophobicContact CG-CG 4.41Å; Q1787-M1791 HydrophobicContact CG-SD 4.06Å; Q1787-M1791 WeakPolarHBondContact O-CG 3.34Å; Q1787-M1791 PolarHBondContact O-N 3.1Å; L1788-M1791 HydrophobicContact CD1-CE 4.44Å; L1788-M1791 PolarHBondContact O-N 3.32Å; M1791-H1793 PolarHBondContact O-ND1 3.47Å
1792T82.5Confident82.4Confident11 Ų1130.5 Ų30.57%0.06715%0.145CC..THydrogen-bonded Turntrans-93.415176.467.90000114E1398 L1788 W1790 S1794E1398-T1792 HydrophobicContact CB-CG2 4.49Å; E1398-T1792 HydrophobicContact CG-CG2 3.89Å; L1788-T1792 HydrophobicContact CD1-CG2 4.08Å; L1788-T1792 HydrophobicContact CG-CG2 4.42Å; L1788-T1792 WeakPolarHBondContact O-CG2 3.14Å; L1788-T1792 PolarHBondContact O-N 2.93Å; L1788-T1792 PolarHBondContact O-OG1 2.63Å; W1790-T1792 VanDerWaalsContact C-N 3.3Å; W1790-T1792 PolarHBondContact O-N 3.47Å; T1792-S1794 PolarHBondContact O-N 2.93Å; T1792-S1794 PolarHBondContact O-OG 2.94Å; T1792-S1794 WeakPolarHBondContact OG1-CB 3.04Å; T1792-S1794 PolarHBondContact OG1-OG 3.26Å
1793H86.2Confident81.5Confident9 Ų931.2 Ų31.24%0.04215%0.151CC..THydrogen-bonded Turntrans5324.4-180-50.968.1000114.6Q1126 S1128 H1159 C1394 E1398 W1790 M1791 P1796Q1126-H1793 PolarHBondContact NE2-O 3.2Å; S1128-H1793 VanDerWaalsContact CB-NE2 3.32Å; S1128-H1793 WeakPolarHBondContact CB-NE2 3.39Å; S1128-H1793 PolarHBondContact OG-CD2 3.23Å; S1128-H1793 PolarHBondContact OG-NE2 3.39Å; H1159-H1793 AromaticContact CE1-CG 3.69Å; H1159-H1793 AromaticContact CE1-ND1 3.96Å; H1159-H1793 AromaticContact CG-CD2 3.62Å; H1159-H1793 AromaticContact CG-NE2 3.75Å; H1159-H1793 AromaticContact ND1-CD2 3.47Å; H1159-H1793 PolarHBondContact ND1-CD2 3.09Å; H1159-H1793 AromaticContact ND1-CG 3.52Å; C1394-H1793 PolarHBondContact SG-CE1 2.82Å; E1398-H1793 IonicContact OE1-ND1 3.76Å; W1790-H1793 PolarHBondContact O-N 3.3Å; M1791-H1793 PolarHBondContact O-ND1 3.47Å; H1793-P1796 WeakPolarHBondContact O-CD 3.24Å
1794S83.9Confident79.8Confident30 Ų3036 Ų3621%0.2117%0.174CC..  trans-93.76-176.5-570000112.4K1789 T1792 E1797 F1798K1789-S1794 PolarHBondContact O-N 3.35Å; T1792-S1794 PolarHBondContact O-N 2.93Å; T1792-S1794 PolarHBondContact O-OG 2.94Å; T1792-S1794 WeakPolarHBondContact OG1-CB 3.04Å; T1792-S1794 PolarHBondContact OG1-OG 3.26Å; S1794-E1797 PolarHBondContact O-N 3.01Å; S1794-F1798 WeakPolarHBondContact O-CB 3.26Å; S1794-F1798 PolarHBondContact O-N 3.34Å
1795M85.2Confident78Confident1 Ų138.4 Ų38.41%0.00519%0.189CC..Hα-helixtrans-56.2-44.7174.3-74.2-75.2102.500113.4I1732 L1734 V1745 K1789 W1790 E1797 F1798 V1799I1732-M1795 HydrophobicContact CD1-CB 4.39Å; I1732-M1795 HydrophobicContact CG2-CB 4.34Å; I1732-M1795 HydrophobicContact CG2-CG 4.4Å; L1734-M1795 HydrophobicContact CD1-SD 3.8Å; V1745-M1795 HydrophobicContact CG1-SD 3.6Å; V1745-M1795 VanDerWaalsContact CG1-SD 3.6Å; K1789-M1795 HydrophobicContact CB-CE 3.11Å; K1789-M1795 HydrophobicContact CD-CE 3.99Å; K1789-M1795 HydrophobicContact CG-CE 4.21Å; K1789-M1795 PolarHBondContact O-N 3.36Å; W1790-M1795 HydrophobicContact CB-CG 3.99Å; W1790-M1795 HydrophobicContact CB-SD 4.36Å; W1790-M1795 HydrophobicContact CG-CG 4.49Å; M1795-E1797 VanDerWaalsContact C-N 3.33Å; M1795-E1797 PolarHBondContact O-N 3.4Å; M1795-F1798 HydrophobicContact CE-CB 4.44Å; M1795-F1798 HydrophobicContact CE-CD1 3.9Å; M1795-F1798 HydrophobicContact CE-CE1 4.46Å; M1795-F1798 HydrophobicContact CE-CG 4.36Å; M1795-F1798 WeakPolarHBondContact O-CB 3.34Å; M1795-F1798 PolarHBondContact O-N 2.98Å; M1795-F1798 HydrophobicContact SD-CD1 4.47Å; M1795-V1799 VanDerWaalsContact O-CG2 3.3Å; M1795-V1799 WeakPolarHBondContact O-CG2 3.46Å; M1795-V1799 PolarHBondContact O-N 2.85Å
1796P80Confident76Confident0 Ų037.2 Ų37.20%019%0.193CC..Hα-helixtrans-61-41.9178.1-24.737000112.5L1124 I1210 A1747 P1748 H1793 F1798 V1799 V1800L1124-P1796 HydrophobicContact CD2-CB 4.09Å; L1124-P1796 HydrophobicContact CD2-CG 4.13Å; I1210-P1796 HydrophobicContact CG2-CB 3.58Å; A1747-P1796 HydrophobicContact CB-CB 3.97Å; P1748-P1796 HydrophobicContact CG-CG 4.4Å; H1793-P1796 WeakPolarHBondContact O-CD 3.24Å; P1796-F1798 VanDerWaalsContact C-N 3.32Å; P1796-F1798 PolarHBondContact O-N 3.44Å; P1796-V1799 PolarHBondContact O-N 3.01Å; P1796-V1800 WeakPolarHBondContact O-CG2 3.27Å; P1796-V1800 PolarHBondContact O-N 3.46Å; P1796-V1800 VanDerWaalsContact O-N 3.11Å
1797E77.9Confident73.8Confident28 Ų2846.6 Ų46.613%0.13124%0.237CC..Hα-helixtrans-65.4-38.4176.4-53.6-175.6-164.600112.1R1209 S1794 M1795 V1799 K1801R1209-E1797 WeakPolarHBondContact CD-OE1 3.41Å; R1209-E1797 HydrophobicContact CG-CG 4.03Å; R1209-E1797 IonicContact CZ-OE1 2.78Å; R1209-E1797 IonicContact CZ-OE2 3.93Å; R1209-E1797 IonicContact NE-OE1 3.09Å; R1209-E1797 PolarHBondContact NE-OE1 3.2Å; R1209-E1797 IonicContact NE-OE2 3.29Å; R1209-E1797 PolarHBondContact NE-OE2 2.92Å; R1209-E1797 IonicContact NH1-OE1 3.65Å; R1209-E1797 VanDerWaalsContact NH2-CD 3.33Å; R1209-E1797 IonicContact NH2-OE1 2.93Å; R1209-E1797 PolarHBondContact NH2-OE1 3.46Å; R1209-E1797 IonicContact NH2-OE2 2.85Å; R1209-E1797 PolarHBondContact NH2-OE2 3.45Å; S1794-E1797 PolarHBondContact O-N 3.01Å; M1795-E1797 VanDerWaalsContact C-N 3.33Å; M1795-E1797 PolarHBondContact O-N 3.4Å; E1797-V1799 VanDerWaalsContact C-N 3.34Å; E1797-K1801 WeakPolarHBondContact O-CG 3.37Å; E1797-K1801 PolarHBondContact O-N 3.02Å
1798F80.8Confident71.5Confident13 Ų1350 Ų506%0.05726%0.255CS..Hα-helixtrans-61.9-43.7176.3179.4-117.4000111.1V1745 V1755 K1789 S1794 M1795 P1796 H1802V1745-F1798 HydrophobicContact CG1-CD1 4.31Å; V1745-F1798 HydrophobicContact CG2-CE1 4.27Å; V1755-F1798 HydrophobicContact CB-CE1 4.45Å; V1755-F1798 HydrophobicContact CB-CZ 4.42Å; V1755-F1798 HydrophobicContact CG1-CE1 4.32Å; V1755-F1798 HydrophobicContact CG1-CZ 3.85Å; V1755-F1798 HydrophobicContact CG2-CE1 3.64Å; V1755-F1798 HydrophobicContact CG2-CZ 3.82Å; K1789-F1798 HydrophobicContact CD-CB 4.15Å; K1789-F1798 HydrophobicContact CD-CD1 4.34Å; K1789-F1798 HydrophobicContact CD-CD2 3.52Å; K1789-F1798 HydrophobicContact CD-CE2 3.84Å; K1789-F1798 HydrophobicContact CD-CG 3.77Å; K1789-F1798 HydrophobicContact CD-CZ 4.39Å; S1794-F1798 WeakPolarHBondContact O-CB 3.26Å; S1794-F1798 PolarHBondContact O-N 3.34Å; M1795-F1798 HydrophobicContact CE-CB 4.44Å; M1795-F1798 HydrophobicContact CE-CD1 3.9Å; M1795-F1798 HydrophobicContact CE-CE1 4.46Å; M1795-F1798 HydrophobicContact CE-CG 4.36Å; M1795-F1798 WeakPolarHBondContact O-CB 3.34Å; M1795-F1798 PolarHBondContact O-N 2.98Å; M1795-F1798 HydrophobicContact SD-CD1 4.47Å; P1796-F1798 VanDerWaalsContact C-N 3.32Å; P1796-F1798 PolarHBondContact O-N 3.44Å; F1798-H1802 AromaticContact CD2-CE1 3.39Å; F1798-H1802 WeakPolarHBondContact CD2-CE1 3.45Å; F1798-H1802 AromaticContact CD2-ND1 3.73Å; F1798-H1802 AromaticContact CE2-CE1 3.05Å; F1798-H1802 WeakPolarHBondContact CE2-CE1 3.49Å; F1798-H1802 AromaticContact CE2-ND1 3.77Å; F1798-H1802 AromaticContact CE2-NE2 3.72Å; F1798-H1802 AromaticContact CZ-CE1 3.62Å; F1798-H1802 AromaticContact CZ-NE2 3.95Å; F1798-H1802 PolarHBondContact O-N 3.19Å; F1798-H1802 PolarHBondContact O-ND1 3.24Å
1799V78.5Confident69.3Low0 Ų049.2 Ų49.20%026%0.261CS..Hα-helixtrans-64.2-48.5178.5173.10000111.4V1745 A1747 R1751 C1753 M1795 P1796 E1797 K1801 H1802 T1803V1745-V1799 HydrophobicContact CB-CG2 4.09Å; V1745-V1799 HydrophobicContact CG1-CG2 3.63Å; A1747-V1799 HydrophobicContact CB-CB 4.32Å; A1747-V1799 HydrophobicContact CB-CG1 4.33Å; R1751-V1799 HydrophobicContact CB-CG1 4.08Å; C1753-V1799 HydrophobicContact CB-CG1 4.25Å; M1795-V1799 VanDerWaalsContact O-CG2 3.3Å; M1795-V1799 WeakPolarHBondContact O-CG2 3.46Å; M1795-V1799 PolarHBondContact O-N 2.85Å; P1796-V1799 PolarHBondContact O-N 3.01Å; E1797-V1799 VanDerWaalsContact C-N 3.34Å; V1799-K1801 VanDerWaalsContact C-N 3.32Å; V1799-K1801 PolarHBondContact O-N 3.08Å; V1799-H1802 PolarHBondContact O-N 2.91Å; V1799-T1803 HydrophobicContact CG1-CG2 4.35Å; V1799-T1803 PolarHBondContact O-N 3.13Å; V1799-T1803 PolarHBondContact O-OG1 3.26Å
1800V73.9Confident67.2Low3 Ų351 Ų512%0.01827%0.273CS..Hα-helixtrans-57.5-45179.9171.70000111.7L1203 I1210 P1796 H1802 T1803 E1804L1203-V1800 HydrophobicContact CD1-CG1 4.32Å; L1203-V1800 HydrophobicContact CD2-CG1 3.88Å; L1203-V1800 HydrophobicContact CD2-CG2 4.19Å; I1210-V1800 HydrophobicContact CB-CG2 4.11Å; I1210-V1800 HydrophobicContact CD1-CG2 4.13Å; P1796-V1800 WeakPolarHBondContact O-CG2 3.27Å; P1796-V1800 PolarHBondContact O-N 3.46Å; P1796-V1800 VanDerWaalsContact O-N 3.11Å; V1800-H1802 VanDerWaalsContact C-N 3.28Å; V1800-H1802 PolarHBondContact O-N 2.93Å; V1800-T1803 WeakPolarHBondContact CA-OG1 3.39Å; V1800-T1803 PolarHBondContact O-N 3.17Å; V1800-T1803 PolarHBondContact O-OG1 2.98Å; V1800-E1804 PolarHBondContact O-N 3.26Å
1801K70.8Confident65Low123 Ų12354.6 Ų54.654%0.53529%0.291SS..Hα-helixtrans-59.9-37176.5-73.2-177.8-179.3-175.10112.6E1797 V1799 I1805E1797-K1801 WeakPolarHBondContact O-CG 3.37Å; E1797-K1801 PolarHBondContact O-N 3.02Å; V1799-K1801 VanDerWaalsContact C-N 3.32Å; V1799-K1801 PolarHBondContact O-N 3.08Å; K1801-I1805 WeakPolarHBondContact O-CB 3.18Å; K1801-I1805 WeakPolarHBondContact O-CD1 3.27Å; K1801-I1805 WeakPolarHBondContact O-CG1 3.41Å; K1801-I1805 PolarHBondContact O-N 3.42Å
1802H68.9Low62.7Low71 Ų7156 Ų5633%0.32930%0.299SS..Hα-helixtrans-77-33179.6-73.168.6000112.4C1753 F1798 V1799 V1800 G1806C1753-H1802 HydrophobicContact CB-CB 3.92Å; F1798-H1802 AromaticContact CD2-CE1 3.39Å; F1798-H1802 WeakPolarHBondContact CD2-CE1 3.45Å; F1798-H1802 AromaticContact CD2-ND1 3.73Å; F1798-H1802 AromaticContact CE2-CE1 3.05Å; F1798-H1802 WeakPolarHBondContact CE2-CE1 3.49Å; F1798-H1802 AromaticContact CE2-ND1 3.77Å; F1798-H1802 AromaticContact CE2-NE2 3.72Å; F1798-H1802 AromaticContact CZ-CE1 3.62Å; F1798-H1802 AromaticContact CZ-NE2 3.95Å; F1798-H1802 PolarHBondContact O-N 3.19Å; F1798-H1802 PolarHBondContact O-ND1 3.24Å; V1799-H1802 PolarHBondContact O-N 2.91Å; V1800-H1802 VanDerWaalsContact C-N 3.28Å; V1800-H1802 PolarHBondContact O-N 2.93Å; H1802-G1806 PolarHBondContact O-N 3.38Å
1803T64.1Low60.2Low44 Ų4462.3 Ų62.327%0.2733%0.331SS..Hα-helixtrans-73.8-29176.3500000113.5C1753 V1799 V1800C1753-T1803 HydrophobicContact CB-CG2 4.12Å; V1799-T1803 HydrophobicContact CG1-CG2 4.35Å; V1799-T1803 PolarHBondContact O-N 3.13Å; V1799-T1803 PolarHBondContact O-OG1 3.26Å; V1800-T1803 WeakPolarHBondContact CA-OG1 3.39Å; V1800-T1803 PolarHBondContact O-N 3.17Å; V1800-T1803 PolarHBondContact O-OG1 2.98Å
1804E55.8Low58.9Low114 Ų11465 Ų6553%0.53335%0.346SS..Hα-helixtrans-77.1-28.2174.7-75-172.5164.200113V1800V1800-E1804 PolarHBondContact O-N 3.26Å
1805I47.8Very low57.6Low149 Ų14966.8 Ų66.876%0.76435%0.353SS*.Hα-helixtrans-87.5-23.4-173.4-66.5170.3000113K1801K1801-I1805 WeakPolarHBondContact O-CB 3.18Å; K1801-I1805 WeakPolarHBondContact O-CD1 3.27Å; K1801-I1805 WeakPolarHBondContact O-CG1 3.41Å; K1801-I1805 PolarHBondContact O-N 3.42Å
1806G42.3Very low56.1Low36 Ų3670.5 Ų70.537%0.37137%0.372SS..  trans-140.6153.9-166.500000117.3H1802 N1808H1802-G1806 PolarHBondContact O-N 3.38Å; G1806-N1808 PolarHBondContact O-N 3.14Å
1807E39.9Very low54.7Low204 Ų20474.6 Ų74.695%0.95339%0.394SS*.THydrogen-bonded Turntrans-61.4-1.7168.1-66.8177.1160.500113.6G1809E1807-G1809 PolarHBondContact O-N 2.61Å
1808N40.4Very low53.2Low93 Ų9377.6 Ų77.650%0.49741%0.411SS..THydrogen-bonded Turntrans-91.316.2-174.4-68.5-13.3000114.6G1806 L1810G1806-N1808 PolarHBondContact O-N 3.14Å; N1808-L1810 PolarHBondContact O-N 2.99Å
1809G39Very low51.4Low41 Ų4181.9 Ų81.942%0.42343%0.434SS..  trans-72.7100.5172.500000111.1E1807E1807-G1809 PolarHBondContact O-N 2.61Å
1810L42.7Very low49.5Very low83 Ų8387.7 Ų87.744%0.43547%0.465SS..  trans-87.6125167.5-76.7166.8000108.6V1752 L1754 N1808V1752-L1810 WeakPolarHBondContact CB-O 3.4Å; L1754-L1810 HydrophobicContact CD1-CD1 3.49Å; L1754-L1810 VanDerWaalsContact CD1-CD1 3.49Å; L1754-L1810 HydrophobicContact CD2-CD1 4.46Å; L1754-L1810 HydrophobicContact CG-CD1 3.94Å; N1808-L1810 PolarHBondContact O-N 2.99Å
1811I39.1Very low47.6Very low82 Ų8294.2 Ų94.242%0.42150%0.5SS..BIsolated β-bridgetrans-99.8110.5167.6-52.3176000106.9S1192 L1813S1192-I1811 WeakPolarHBondContact O-CG2 3.5Å; I1811-L1813 PolarHBondContact O-N 3.46Å
1812L37.5Very low45.7Very low42 Ų4291.8 Ų91.822%0.2250%0.497CS..  trans-81.4113.8174.5-75.3172.9000108.9P1706 V1752P1706-L1812 HydrophobicContact CG-CD2 4.26Å; V1752-L1812 HydrophobicContact CG2-CD1 4.33Å
1813L30.5Very low43.6Very low143 Ų14393.7 Ų93.775%0.74951%0.512SS*.  trans-63.40171.5-81.8164.4000112.9S1192 I1811S1192-L1813 WeakPolarHBondContact OG-CD1 3.37Å; I1811-L1813 PolarHBondContact O-N 3.46Å

Retrieved 1,813 of 1,813 residues in 1835.4 ms (Link to these results)

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