A0A5K4ERI9_SCHMA Loading...

MAP kinase-activating death domain protein

AlphaFold DB , UniProt , Accession A0A5K4ERI9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,662 aa.

>A0A5K4ERI9_SCHMA|A0A5K4ERI9
MSNICPRLIDYFVLVGSRSPGNANSVQSPEILCRFPPTNHKDFPLPTDVSFFCQPEGCINASSSTFPIKSLDNNRDGIKSMTFLFSLTDKDSSKTRYGICTNFFRPVNVKSVSRTTYSNVREDTHFGNVSVNGPVLCSDELNRLNESTQDKSLSSGKLKNANSVYNLTSICLITHYPFATTFARLVQCVYAVLKKLHKLSKLSCVESPDIWDVLTSNITLSCSNPVVESTRQFQLWILRLLSAPAPIPGCTCVYLSVQPQTLGSPLCFALPDQSRLPLIDFPVNLPFEIMGIRKTFRLIMCLLLEQKVVLQSSDYNKLSLTILSLVALLYPLQYMFPVIPLLPACMPDAEQLLLAPTPYLIGVPTTFYTARKIFRMPKDVWLADLDTGELSYPMVVDEIPELPEIESNILISHLRKLLHEFSNSPHIDLDLEDSSKHWSVSVARATALELSKFDPLLYTLTKDSVDVGIRVSMILFFNTNNILGGFTNHIRTLRLFPRPVVAFQYESFMKSRPKPCLFTSMLAKTQAVEYFAESSICALNEAYQRICSGVYSTELIGDKLYWYKNQLQPVDFDCWDKLFDYANVTPTNTSKTNQSSPKLSLANSNLSMLFQAFELAKSIINRRCSGDINTEIDTDSINNDTISLSNDAQTGDYIGMFKTYSDDSDSNHSYETVVSNGKISKEMEDCILVQANKPLPDCLAEFYTPPTELVYSNKSSTRPSLSLENADSTLSNFWSQSTVITSDSSGNIKRNINEPLTNTNTGIQSLGVPNSESGTLTRSSSVSSRRSTNDTLQLVSRLSSSIFVGNGNDSKKSSTVTSSTFGDDNLSWDTSVTLLFGDLLKSNRLRSLTFKDVPLSALQMHKKRLENERTIIDLSKSIKQGRIPNIFSRNQINTLLQDENYRNLLIARINDNLSKDILPNQLHINNVPIQQWDQYKAILWTLKQMINGLEYSFRPDIVFPTTNHYDRIARDKSPSSNISNPLSNSSWLPYSTGILKSGGFASAFMLMEVAHTHFYRLPNRTGHTDNNHDEKFFWNSMPTTPTTELRSPIPSRKFVGNGFSSVRYQNNRLDLSDCESYSRDGSKLDLFHGRGRHPFTSVVVTMSEPSSDREDNEKIQSKPVFKSDSTDVIKQNLQPLNNANDTIGVNHTGSCITVNRHNDCGKFDKLFASDAKLHESTSKLKSHRDFENEGNDINNIPPDYVPELPNRKSQRSFGYRYYQSHLILTDPSIISNSSNDADDQTTCTIFTSSPNTCTPPAVYRPDLKFHFNDTESENEDIDDRNQQQREIEEQRKQSECHMCKLTLLMPTPPPPDSSSVMTVSPSKMKKVPWTYLFEDIFDTELRKSKILGNLQFWEDSFLDTVAQERDILGMDYRPKELLLKYQNSSLLKRKQMELEEDCLLVNIMHNMIAFMLMANVDRISIRKKLQRLLAKSHTGLHYSRKINDLLNSLNYLNGNDIDLNVAQSRFIVQRSHEAYRGSDESGELIFLEVCSDYLLIRNLSGRILERLWYDQVINLTYRSNTHILCITRQIYDHSQMDLFYTRKSRLVYQQIKESMKNISVEASHGILNGDLNGEINATNLDNNQPGTISILPDGFVIKFGDEQKFIKLHNIKRCCTIKSEIFTIDVYDQEKKAMITYRFQTDMALIMLSLWKSIIELALQSN
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M29.9Very low74.6Confident187 Ų18754.8 Ų54.892%0.92130%0.303SS*.  0-4.80-76.7167.2161.300113.9N3M1-N3 PolarHBondContact O-N 2.98Å
2S36Very low76.3Confident112 Ų11250.7 Ų50.778%0.78328%0.28SS*.THydrogen-bonded Turntrans-7141.1-169.944.90000117.1
3N55.9Low77.8Confident120 Ų12046.8 Ų46.864%0.64226%0.259SS*.THydrogen-bonded Turntrans-144.88.8179.6-111.9-60.3000114.7M1 K94M1-N3 PolarHBondContact O-N 2.98Å; N3-K94 WeakPolarHBondContact OD1-CE 3.4Å; N3-K94 PolarHBondContact OD1-NZ 2.84Å
4I69.1Low79Confident84 Ų8444.2 Ų44.243%0.43124%0.244SC..  trans-79.7134.6175.5-58.7176.4000108.6Y176 P248I4-Y176 WeakPolarHBondContact CG2-OH 3.35Å; I4-P248 HydrophobicContact CD1-CG 4Å
5C82.2Confident80Confident13 Ų1341.3 Ų41.39%0.08823%0.228CC..  trans-81128176.3-178.40000110.1R7 H175 Y176 A245C5-R7 PolarHBondContact O-N 3.11Å; C5-H175 HydrophobicContact CB-CB 4.47Å; C5-H175 PolarHBondContact SG-NE2 2.82Å; C5-Y176 PolarHBondContact O-OH 3.17Å; C5-A245 WeakPolarHBondContact O-CB 3.45Å
6P82.6Confident80.7Confident52 Ų5238.7 Ų38.734%0.33821%0.214SC..SBendtrans-69.2-16.9-179.527.6-34.7000113.6A245P6-A245 PolarHBondContact O-N 2.89Å; P6-A245 VanDerWaalsContact O-N 3.09Å
7R88.2Confident80.9Confident34 Ų3437.1 Ų37.113%0.12821%0.205CC..BIsolated β-bridgetrans-88.8121.6-177.7-51.2-179.9-62.3-102.7-1.9110.7C5 I9 D10 D42 H175 Y176C5-R7 PolarHBondContact O-N 3.11Å; R7-I9 VanDerWaalsContact C-N 3.28Å; R7-I9 PolarHBondContact O-N 3.46Å; R7-D10 IonicContact CZ-OD1 3.15Å; R7-D10 VanDerWaalsContact CZ-OD1 3.3Å; R7-D10 IonicContact NE-OD1 3.22Å; R7-D10 PolarHBondContact NE-OD1 3.33Å; R7-D10 IonicContact NH2-OD1 2.69Å; R7-D10 PolarHBondContact NH2-OD1 2.77Å; R7-D42 IonicContact CZ-OD1 2.6Å; R7-D42 IonicContact CZ-OD2 3.23Å; R7-D42 IonicContact NH1-OD1 3.85Å; R7-D42 PolarHBondContact NH1-OD1 2.88Å; R7-D42 IonicContact NH1-OD2 3.98Å; R7-D42 PolarHBondContact NH1-OD2 3.38Å; R7-D42 IonicContact NH2-OD1 2.78Å; R7-D42 PolarHBondContact NH2-OD1 2.9Å; R7-D42 IonicContact NH2-OD2 1.84Å; R7-D42 PolarHBondContact NH2-OD2 3.27Å; R7-H175 PolarHBondContact NH2-NE2 2.9Å; R7-Y176 WeakPolarHBondContact O-CE2 3.39Å
8L92.5Very high80.5Confident0 Ų043.3 Ų43.30%023%0.225CC..SBendtrans-66.2-31.7174.7-177.860.9000112.5T174 Y176 F178 F182 A243 A245 F268L8-T174 PolarHBondContact O-OG1 2.99Å; L8-Y176 HydrophobicContact CD1-CD2 4.29Å; L8-F178 HydrophobicContact CD1-CE2 4.34Å; L8-F182 HydrophobicContact CD1-CE1 4.47Å; L8-F182 HydrophobicContact CD1-CZ 3.9Å; L8-F182 HydrophobicContact CG-CE1 4.24Å; L8-F182 HydrophobicContact CG-CZ 4.07Å; L8-A243 HydrophobicContact CB-CB 4.38Å; L8-A243 WeakPolarHBondContact CB-O 3.39Å; L8-A243 HydrophobicContact CD2-CB 4.09Å; L8-A243 PolarHBondContact N-O 2.86Å; L8-A245 HydrophobicContact CB-CB 4.41Å; L8-F268 HydrophobicContact CD1-CB 4.29Å; L8-F268 HydrophobicContact CD1-CD1 3.95Å; L8-F268 HydrophobicContact CD1-CE1 4.46Å; L8-F268 HydrophobicContact CD1-CG 4.08Å; L8-F268 HydrophobicContact CD2-CD1 4.24Å; L8-F268 HydrophobicContact CD2-CD2 3.74Å; L8-F268 HydrophobicContact CD2-CE1 4.36Å; L8-F268 HydrophobicContact CD2-CE2 3.89Å; L8-F268 HydrophobicContact CD2-CG 3.92Å; L8-F268 HydrophobicContact CD2-CZ 4.19Å
9I94.4Very high80.1Confident1 Ų145.2 Ų45.21%0.00524%0.243CC..  trans-133.9131.9-179.6-53.5172.7000107.9R7 F12 L172 F182 L185 L241R7-I9 VanDerWaalsContact C-N 3.28Å; R7-I9 PolarHBondContact O-N 3.46Å; I9-F12 HydrophobicContact CD1-CE2 4.04Å; I9-F12 HydrophobicContact CG2-CD2 4.31Å; I9-F12 HydrophobicContact CG2-CE2 4.39Å; I9-L172 HydrophobicContact CD1-CD1 3.9Å; I9-L172 HydrophobicContact CG1-CD1 4.24Å; I9-L172 HydrophobicContact CG2-CD1 4.25Å; I9-L172 HydrophobicContact CG2-CD2 4.17Å; I9-L172 HydrophobicContact CG2-CG 3.79Å; I9-F182 HydrophobicContact CD1-CE1 4.31Å; I9-F182 HydrophobicContact CG1-CE1 3.92Å; I9-F182 HydrophobicContact CG1-CZ 4.47Å; I9-L185 HydrophobicContact CD1-CD2 3.76Å; I9-L241 HydrophobicContact CB-CD2 4.04Å; I9-L241 HydrophobicContact CG2-CD2 3.66Å
10D93.4Very high79.4Confident0 Ų044.6 Ų44.60%024%0.241CC..  trans-86.2-48.1177.1-65.9-67000111.6R7 P36 H40 F43 R96 I173 H175R7-D10 IonicContact CZ-OD1 3.15Å; R7-D10 VanDerWaalsContact CZ-OD1 3.3Å; R7-D10 IonicContact NE-OD1 3.22Å; R7-D10 PolarHBondContact NE-OD1 3.33Å; R7-D10 IonicContact NH2-OD1 2.69Å; R7-D10 PolarHBondContact NH2-OD1 2.77Å; D10-P36 WeakPolarHBondContact O-CD 3.34Å; D10-H40 PolarHBondContact O-NE2 3.14Å; D10-F43 HydrophobicContact CB-CD1 4.38Å; D10-R96 IonicContact OD2-NE 2.63Å; D10-I173 PolarHBondContact N-O 2.83Å; D10-H175 IonicContact OD1-CE1 2.77Å; D10-H175 PolarHBondContact OD1-CE1 3.32Å; D10-H175 IonicContact OD1-ND1 3.4Å; D10-H175 PolarHBondContact OD1-ND1 3.2Å; D10-H175 IonicContact OD1-NE2 3.54Å; D10-H175 PolarHBondContact OD1-NE2 3.24Å; D10-H175 CovalentContact OD2-CE1 1.84Å; D10-H175 IonicContact OD2-CE1 3.6Å; D10-H175 PolarHBondContact OD2-CE1 3.34Å; D10-H175 IonicContact OD2-CG 2.83Å; D10-H175 PolarHBondContact OD2-N 3.32Å; D10-H175 IonicContact OD2-ND1 3.43Å; D10-H175 PolarHBondContact OD2-ND1 3.2Å; D10-H175 IonicContact OD2-NE2 3.42Å; D10-H175 PolarHBondContact OD2-NE2 3.48Å
11Y96Very high78.5Confident0 Ų043.9 Ų43.90%024%0.244CC..EExtended strand (participates in β ladder)trans-146.1148.5-176.2-59.4-84.6000113F35 P36 N39 H40 F43 L45 I173Y11-F35 CarbonylContact C-O 3.59Å; Y11-F35 VanDerWaalsContact CA-O 3.23Å; Y11-F35 WeakPolarHBondContact CA-O 3.49Å; Y11-P36 HydrophobicContact CD1-CG 4.16Å; Y11-P36 HydrophobicContact CE1-CG 4.1Å; Y11-N39 WeakPolarHBondContact OH-CA 3.3Å; Y11-H40 AromaticContact CE1-CD2 3.97Å; Y11-H40 AromaticContact CE2-CD2 3.69Å; Y11-H40 AromaticContact CZ-CD2 3.44Å; Y11-H40 VanDerWaalsContact CZ-CD2 3.44Å; Y11-H40 PolarHBondContact OH-N 3.08Å; Y11-F43 HydrophobicContact CD2-CD1 4.33Å; Y11-F43 HydrophobicContact CD2-CE1 4.2Å; Y11-F43 AromaticContact CE2-CD1 3.74Å; Y11-F43 HydrophobicContact CE2-CD1 3.74Å; Y11-F43 AromaticContact CE2-CE1 3.93Å; Y11-F43 HydrophobicContact CE2-CE1 3.93Å; Y11-F43 PolarHBondContact OH-O 2.78Å; Y11-L45 HydrophobicContact CD1-CB 4.35Å; Y11-L45 HydrophobicContact CD1-CD2 4.23Å; Y11-L45 HydrophobicContact CD2-CB 4.2Å; Y11-L45 HydrophobicContact CD2-CD1 3.85Å; Y11-L45 HydrophobicContact CD2-CG 4.47Å; Y11-L45 HydrophobicContact CE1-CB 3.97Å; Y11-L45 HydrophobicContact CE2-CB 3.8Å; Y11-L45 HydrophobicContact CE2-CD1 4.21Å; Y11-L45 HydrophobicContact CG-CB 4.47Å; Y11-L45 HydrophobicContact CG-CD1 4.13Å; Y11-L45 HydrophobicContact CG-CD2 4.32Å; Y11-L45 PolarHBondContact OH-N 2.9Å; Y11-I173 PolarHBondContact N-O 3.49Å; Y11-I173 PolarHBondContact O-N 3.3Å
12F95.7Very high79.8Confident5 Ų542 Ų422%0.02224%0.238CC..EExtended strand (participates in β ladder)trans-110.3137.6156.3-95-80.7000109.5I9 R34 F35 I170 C171 L172 L185 V186 V189 I237 L241I9-F12 HydrophobicContact CD1-CE2 4.04Å; I9-F12 HydrophobicContact CG2-CD2 4.31Å; I9-F12 HydrophobicContact CG2-CE2 4.39Å; F12-R34 CarbonylContact O-C 3.46Å; F12-R34 WeakPolarHBondContact O-CA 3.31Å; F12-F35 HydrophobicContact CB-CB 4.31Å; F12-F35 HydrophobicContact CB-CD2 4.17Å; F12-F35 PolarHBondContact N-O 3.1Å; F12-F35 PolarHBondContact O-N 2.77Å; F12-I170 HydrophobicContact CD1-CG2 4.28Å; F12-I170 HydrophobicContact CE1-CG2 4.39Å; F12-C171 CarbonylContact C-O 3.59Å; F12-C171 WeakPolarHBondContact CA-O 3.44Å; F12-L172 HydrophobicContact CD1-CB 4.34Å; F12-L172 HydrophobicContact CE1-CB 4.04Å; F12-L172 HydrophobicContact CE1-CD1 4.27Å; F12-L172 HydrophobicContact CE1-CG 4.5Å; F12-L172 HydrophobicContact CE2-CD1 4.12Å; F12-L172 HydrophobicContact CZ-CB 4.33Å; F12-L172 HydrophobicContact CZ-CD1 3.74Å; F12-L172 HydrophobicContact CZ-CG 4.3Å; F12-L185 HydrophobicContact CZ-CD2 4.43Å; F12-L185 HydrophobicContact CZ-CG 4.42Å; F12-V186 HydrophobicContact CE1-CG2 4.3Å; F12-V189 HydrophobicContact CE1-CG2 4.19Å; F12-V189 HydrophobicContact CZ-CG2 4.07Å; F12-I237 HydrophobicContact CB-CG2 3.91Å; F12-I237 HydrophobicContact CD2-CG2 3.85Å; F12-I237 HydrophobicContact CG-CG2 4.05Å; F12-L241 HydrophobicContact CD2-CD2 4.48Å; F12-L241 HydrophobicContact CD2-CG 4.45Å
13V95.5Very high80.7Confident1 Ų139.5 Ų39.51%0.00622%0.224CC..EExtended strand (participates in β ladder)trans-134.7135.8-174.8-165.10000110.5V15 I31 L45 C171V13-V15 HydrophobicContact CG1-CG2 3.86Å; V13-I31 HydrophobicContact CG1-CB 4.36Å; V13-I31 HydrophobicContact CG1-CD1 4.13Å; V13-I31 HydrophobicContact CG1-CG1 3.9Å; V13-I31 HydrophobicContact CG1-CG2 3.74Å; V13-L45 HydrophobicContact CG2-CD2 3.98Å; V13-C171 PolarHBondContact N-O 3.27Å; V13-C171 PolarHBondContact O-N 3.16Å
14L94.4Very high80.8Confident10 Ų1041.5 Ų41.55%0.05224%0.235CC..EExtended strand (participates in β ladder)trans-101.9129.2165.2-62-171.1000109.5L32 C33 S169 I170 W211 L214L14-L32 HydrophobicContact CB-CB 4.3Å; L14-L32 PolarHBondContact O-N 3.5Å; L14-C33 VanDerWaalsContact CD1-SG 3.52Å; L14-C33 VanDerWaalsContact CG-SG 3.59Å; L14-C33 PolarHBondContact N-O 2.92Å; L14-S169 WeakPolarHBondContact CA-O 3.43Å; L14-I170 HydrophobicContact CD2-CB 4.15Å; L14-I170 HydrophobicContact CD2-CG1 3.47Å; L14-I170 VanDerWaalsContact CD2-CG1 3.47Å; L14-I170 HydrophobicContact CD2-CG2 4.31Å; L14-W211 HydrophobicContact CD1-CZ3 4.22Å; L14-L214 HydrophobicContact CD1-CB 4.49Å; L14-L214 HydrophobicContact CD1-CD1 4.23Å
15V94.5Very high80.7Confident0 Ų039.9 Ų39.90%023%0.231CC..EExtended strand (participates in β ladder)trans-125.1144-177.2174.60000111.1V13 P29 E30 I31 C53 Q54 T168 S169V13-V15 HydrophobicContact CG1-CG2 3.86Å; V15-P29 HydrophobicContact CG1-CB 3.8Å; V15-E30 VanDerWaalsContact CA-O 3.3Å; V15-E30 WeakPolarHBondContact CA-O 3.36Å; V15-E30 WeakPolarHBondContact CG1-O 3.26Å; V15-I31 HydrophobicContact CG2-CG1 4.39Å; V15-C53 HydrophobicContact CB-CB 3.99Å; V15-C53 HydrophobicContact CG1-CB 4.02Å; V15-C53 HydrophobicContact CG2-CB 4Å; V15-Q54 HydrophobicContact CG1-CG 4.34Å; V15-Q54 PolarHBondContact O-NE2 3.36Å; V15-T168 CarbonylContact O-C 3.57Å; V15-T168 WeakPolarHBondContact O-CA 3.48Å; V15-S169 PolarHBondContact N-O 3Å; V15-S169 PolarHBondContact O-N 3.11Å
16G90.5Very high80.3Confident0 Ų044 Ų440%026%0.255CS..EExtended strand (participates in β ladder)trans167.3-157.4176.600000110.5E30G16-E30 PolarHBondContact N-O 3.34Å; G16-E30 PolarHBondContact O-N 3.33Å; G16-E30 VanDerWaalsContact O-O 3.1Å
17S84.5Confident80.3Confident11 Ų1143.7 Ų43.78%0.07725%0.25CC..  trans-108.1134.6175.5161.20000111.6S19 Q27 N166S17-S19 PolarHBondContact OG-N 3.34Å; S17-S19 PolarHBondContact OG-O 3.08Å; S17-Q27 PolarHBondContact OG-OE1 3.27Å; S17-N166 PolarHBondContact O-ND2 3.32Å
18R74Confident80.1Confident149 Ų14946.3 Ų46.356%0.56227%0.273SS*.SBendtrans-70.4-32.5175.6-66.7178.5-171.7-114.9-14112.7P20 E30 I31 L32R18-P20 WeakPolarHBondContact O-CD 3.4Å; R18-E30 WeakPolarHBondContact CD-OE2 3.28Å; R18-E30 WeakPolarHBondContact CG-OE2 3.14Å; R18-E30 IonicContact NE-OE2 2.75Å; R18-E30 PolarHBondContact NE-OE2 3.4Å; R18-I31 PolarHBondContact NH2-O 2.75Å; R18-L32 HydrophobicContact CG-CD2 3.76Å
19S72.7Confident80.1Confident79 Ų7946.5 Ų46.555%0.55227%0.274SS*.SBendtrans-126.574.5-176.449.30000110.4S17 G21 Q27S17-S19 PolarHBondContact OG-N 3.34Å; S17-S19 PolarHBondContact OG-O 3.08Å; S19-G21 PolarHBondContact O-N 2.86Å; S19-Q27 PolarHBondContact O-NE2 2.98Å; S19-Q27 PolarHBondContact O-OE1 3.24Å
20P65.9Low79.9Confident33 Ų3350.5 Ų50.521%0.21429%0.293CS..  trans-57.1112.2176.921.8-32.8000110.7R18 V107 N166R18-P20 WeakPolarHBondContact O-CD 3.4Å; P20-V107 HydrophobicContact CB-CG1 4.31Å; P20-V107 HydrophobicContact CB-CG2 4.2Å; P20-V107 HydrophobicContact CG-CB 4.4Å; P20-V107 HydrophobicContact CG-CG1 3.54Å; P20-V107 HydrophobicContact CG-CG2 3.94Å; P20-N166 HydrophobicContact CB-CB 4.31Å
21G60.1Low79.9Confident30 Ų3052.3 Ų52.331%0.30930%0.302SS..  trans-78.7-170.1-178.500000113.8S19 N60S19-G21 PolarHBondContact O-N 2.86Å; G21-N60 PolarHBondContact N-ND2 3.21Å; G21-N60 PolarHBondContact O-ND2 3.38Å
22N57.2Low79.5Confident149 Ų14953 Ų5380%0.79731%0.306SS*.SBendtrans-57.4148.1172.8-76.3-19.1000111.5S25N22-S25 PolarHBondContact O-OG 3.43Å
23A56.5Low79.3Confident59 Ų5954 Ų5449%0.48831%0.313SS..THydrogen-bonded Turntrans-54.9151.9-178.400000112.5S25A23-S25 VanDerWaalsContact C-N 3.33Å; A23-S25 PolarHBondContact O-N 2.91Å
24N57.6Low79.1Confident162 Ų16257.5 Ų57.587%0.86633%0.326SS*.THydrogen-bonded Turntrans70.513.7-179.9-48.4-12000116.3
25S66Low79Confident49 Ų4958 Ų5834%0.34333%0.328SS..  trans-97.8135.2164.556.90000110.9N22 A23N22-S25 PolarHBondContact O-OG 3.43Å; A23-S25 VanDerWaalsContact C-N 3.33Å; A23-S25 PolarHBondContact O-N 2.91Å
26V74.5Confident78.9Confident99 Ų9958.5 Ų58.560%0.633%0.331SS*.EExtended strand (participates in β ladder)trans-86.1127.4168.7-174.30000107.8E56 C58 I59V26-E56 WeakPolarHBondContact CG1-O 3.29Å; V26-C58 CarbonylContact C-O 3.44Å; V26-C58 WeakPolarHBondContact CA-O 3.3Å; V26-I59 HydrophobicContact CG1-CG2 4.48Å; V26-I59 HydrophobicContact CG2-CG2 4.08Å
27Q81.7Confident78.7Confident47 Ų4762.5 Ų62.522%0.2236%0.357CS..EExtended strand (participates in β ladder)trans-111.9152.7178.4-61.1-176.3-4500110.5S17 S19 C58S17-Q27 PolarHBondContact OG-OE1 3.27Å; S19-Q27 PolarHBondContact O-NE2 2.98Å; S19-Q27 PolarHBondContact O-OE1 3.24Å; Q27-C58 HydrophobicContact CB-CB 4.02Å; Q27-C58 PolarHBondContact N-O 3.22Å; Q27-C58 WeakPolarHBondContact O-CB 3.45Å; Q27-C58 PolarHBondContact O-N 3.45Å
28S85.3Confident78.8Confident88 Ų8866 Ų6662%0.61538%0.378SS*.  trans-66.5135.9172.7-58.20000110.6
29P91.5Very high79.5Confident5 Ų562.4 Ų62.43%0.03237%0.37CS..  trans-76.9135.3178.930.7-33.8000112V15 S50 F51 Q54 C58V15-P29 HydrophobicContact CG1-CB 3.8Å; P29-S50 WeakPolarHBondContact CB-O 3.36Å; P29-S50 VanDerWaalsContact CG-O 3.31Å; P29-S50 WeakPolarHBondContact CG-O 3.38Å; P29-S50 WeakPolarHBondContact O-CB 3.35Å; P29-S50 PolarHBondContact O-OG 3.01Å; P29-F51 HydrophobicContact CG-CD1 3.77Å; P29-F51 HydrophobicContact CG-CE1 4.32Å; P29-F51 HydrophobicContact CG-CG 4.41Å; P29-Q54 HydrophobicContact CB-CB 4.09Å; P29-Q54 HydrophobicContact CG-CB 4.35Å; P29-C58 VanDerWaalsContact CA-SG 3.56Å
30E91.1Very high80.2Confident85 Ų8560.5 Ų60.540%0.39735%0.352SS..EExtended strand (participates in β ladder)trans-117.9154.8178.8-64.4-176.5-17900111.9V15 G16 R18 L32V15-E30 VanDerWaalsContact CA-O 3.3Å; V15-E30 WeakPolarHBondContact CA-O 3.36Å; V15-E30 WeakPolarHBondContact CG1-O 3.26Å; G16-E30 PolarHBondContact N-O 3.34Å; G16-E30 PolarHBondContact O-N 3.33Å; G16-E30 VanDerWaalsContact O-O 3.1Å; R18-E30 WeakPolarHBondContact CD-OE2 3.28Å; R18-E30 WeakPolarHBondContact CG-OE2 3.14Å; R18-E30 IonicContact NE-OE2 2.75Å; R18-E30 PolarHBondContact NE-OE2 3.4Å; E30-L32 PolarHBondContact O-N 3.18Å
31I92Very high81Confident38 Ų3867 Ų6720%0.19538%0.377CS..EExtended strand (participates in β ladder)trans-74.7116.9166.5-62.6177.7000108.7V13 V15 R18 R34 L45V13-I31 HydrophobicContact CG1-CB 4.36Å; V13-I31 HydrophobicContact CG1-CD1 4.13Å; V13-I31 HydrophobicContact CG1-CG1 3.9Å; V13-I31 HydrophobicContact CG1-CG2 3.74Å; V15-I31 HydrophobicContact CG2-CG1 4.39Å; R18-I31 PolarHBondContact NH2-O 2.75Å; I31-R34 HydrophobicContact CG2-CB 4.32Å; I31-L45 HydrophobicContact CD1-CD2 4.23Å
32L89.2Confident82.1Confident14 Ų1470 Ų707%0.07339%0.386CS..EExtended strand (participates in β ladder)trans-83-49178.9-59.7172.4000110.5L14 R18 E30 T168 T215L14-L32 HydrophobicContact CB-CB 4.3Å; L14-L32 PolarHBondContact O-N 3.5Å; R18-L32 HydrophobicContact CG-CD2 3.76Å; E30-L32 PolarHBondContact O-N 3.18Å; L32-T168 HydrophobicContact CD1-CG2 4.43Å; L32-T215 HydrophobicContact CB-CG2 3.96Å; L32-T215 HydrophobicContact CD1-CG2 4.02Å; L32-T215 HydrophobicContact CD2-CG2 4.47Å; L32-T215 HydrophobicContact CG-CG2 4.38Å
33C89.8Confident83.6Confident25 Ų2563.9 Ų63.917%0.16935%0.353CS..EExtended strand (participates in β ladder)trans-150.4164.6168.6830000111L14 F35L14-C33 VanDerWaalsContact CD1-SG 3.52Å; L14-C33 VanDerWaalsContact CG-SG 3.59Å; L14-C33 PolarHBondContact N-O 2.92Å; C33-F35 VanDerWaalsContact SG-CE2 3.56Å
34R92.2Very high85.2Confident76 Ų7664.6 Ų64.629%0.28735%0.352SS..EExtended strand (participates in β ladder)trans-145.8154.5178.366.3179.2-169.6169.312.2112.2F12 I31 P37 N39 L45F12-R34 CarbonylContact O-C 3.46Å; F12-R34 WeakPolarHBondContact O-CA 3.31Å; I31-R34 HydrophobicContact CG2-CB 4.32Å; R34-P37 VanDerWaalsContact CZ-O 3.3Å; R34-P37 PolarHBondContact NE-O 3.11Å; R34-P37 PolarHBondContact NH2-O 3.42Å; R34-N39 PolarHBondContact NH1-OD1 3.42Å; R34-N39 PolarHBondContact NH2-OD1 2.87Å; R34-L45 HydrophobicContact CB-CD2 4.5Å
35F92.3Very high86.9Confident20 Ų2057.5 Ų57.59%0.08831%0.314CS..EExtended strand (participates in β ladder)trans-135.3128.3176.8-52.5-82.9000108.5Y11 F12 C33 Q234 I237 L238 L241Y11-F35 CarbonylContact C-O 3.59Å; Y11-F35 VanDerWaalsContact CA-O 3.23Å; Y11-F35 WeakPolarHBondContact CA-O 3.49Å; F12-F35 HydrophobicContact CB-CB 4.31Å; F12-F35 HydrophobicContact CB-CD2 4.17Å; F12-F35 PolarHBondContact N-O 3.1Å; F12-F35 PolarHBondContact O-N 2.77Å; C33-F35 VanDerWaalsContact SG-CE2 3.56Å; F35-Q234 HydrophobicContact CE1-CB 4.04Å; F35-Q234 HydrophobicContact CE1-CG 3.76Å; F35-Q234 HydrophobicContact CZ-CG 3.92Å; F35-I237 HydrophobicContact CB-CG2 3.78Å; F35-I237 HydrophobicContact CD1-CG2 4.43Å; F35-I237 HydrophobicContact CD2-CG2 3.79Å; F35-I237 HydrophobicContact CG-CG2 3.74Å; F35-L238 HydrophobicContact CB-CD2 4.2Å; F35-L238 HydrophobicContact CD1-CD2 4.24Å; F35-L241 VanDerWaalsContact C-CD1 3.5Å; F35-L241 HydrophobicContact CB-CD1 3.51Å; F35-L241 WeakPolarHBondContact O-CD1 3.17Å
36P91.8Very high88.1Confident10 Ų1057.6 Ų57.67%0.06531%0.314CS..SBendcis-59.1161.8-11.728.1-36.2000112.6D10 Y11 T38D10-P36 WeakPolarHBondContact O-CD 3.34Å; Y11-P36 HydrophobicContact CD1-CG 4.16Å; Y11-P36 HydrophobicContact CE1-CG 4.1Å; P36-T38 VanDerWaalsContact C-N 3.32Å
37P86Confident88.7Confident84 Ų8457.9 Ų57.955%0.54532%0.316SS..SBendtrans-72.6-25.2177.829.5-35000112.8R34R34-P37 VanDerWaalsContact CZ-O 3.3Å; R34-P37 PolarHBondContact NE-O 3.11Å; R34-P37 PolarHBondContact NH2-O 3.42Å
38T87.3Confident89.1Confident85 Ų8558.8 Ų58.852%0.52132%0.322SS..SBendtrans-90.8164.8175.643.90000112P36P36-T38 VanDerWaalsContact C-N 3.32Å
39N88.6Confident89.6Confident74 Ų7454.7 Ų54.740%0.39629%0.293SS..PPolyproline II helixtrans-89.9141.5172.9-77.29.4000110.5Y11 R34 P44Y11-N39 WeakPolarHBondContact OH-CA 3.3Å; R34-N39 PolarHBondContact NH1-OD1 3.42Å; R34-N39 PolarHBondContact NH2-OD1 2.87Å; N39-P44 HydrophobicContact CB-CB 4.2Å; N39-P44 VanDerWaalsContact ND2-CB 3.34Å; N39-P44 WeakPolarHBondContact ND2-CB 3.41Å
40H87.8Confident89.7Confident39 Ų3954.8 Ų54.818%0.18129%0.294CS..PPolyproline II helixtrans-67141.5164.8-59.5-59.4000110.5D10 Y11 D42 F43D10-H40 PolarHBondContact O-NE2 3.14Å; Y11-H40 AromaticContact CE1-CD2 3.97Å; Y11-H40 AromaticContact CE2-CD2 3.69Å; Y11-H40 AromaticContact CZ-CD2 3.44Å; Y11-H40 VanDerWaalsContact CZ-CD2 3.44Å; Y11-H40 PolarHBondContact OH-N 3.08Å; H40-D42 VanDerWaalsContact C-N 3.32Å; H40-D42 PolarHBondContact O-N 2.99Å; H40-F43 CarbonylContact O-C 3.56Å; H40-F43 VanDerWaalsContact O-C 3.31Å; H40-F43 PolarHBondContact O-N 3.26Å
41K83.6Confident89.9Confident168 Ų16852.1 Ų52.173%0.7328%0.281SS*.SBendtrans-64.1-35.8-179.8-65.6-177-177.5178.60112.9
42D83Confident90.1Very high94 Ų9451.5 Ų51.550%0.50328%0.277SS..SBendtrans-85.2-15.7-179.263.1-73.3000113.9R7 H40 H175R7-D42 IonicContact CZ-OD1 2.6Å; R7-D42 IonicContact CZ-OD2 3.23Å; R7-D42 IonicContact NH1-OD1 3.85Å; R7-D42 PolarHBondContact NH1-OD1 2.88Å; R7-D42 IonicContact NH1-OD2 3.98Å; R7-D42 PolarHBondContact NH1-OD2 3.38Å; R7-D42 IonicContact NH2-OD1 2.78Å; R7-D42 PolarHBondContact NH2-OD1 2.9Å; R7-D42 IonicContact NH2-OD2 1.84Å; R7-D42 PolarHBondContact NH2-OD2 3.27Å; H40-D42 VanDerWaalsContact C-N 3.32Å; H40-D42 PolarHBondContact O-N 2.99Å; D42-H175 IonicContact OD2-NE2 2.72Å
43F87.4Confident90.4Very high21 Ų2150.8 Ų50.89%0.09227%0.274CS..  trans-154.384.2179.3-177.6-123.4000111.5D10 Y11 H40 L45 R96 I173D10-F43 HydrophobicContact CB-CD1 4.38Å; Y11-F43 HydrophobicContact CD2-CD1 4.33Å; Y11-F43 HydrophobicContact CD2-CE1 4.2Å; Y11-F43 AromaticContact CE2-CD1 3.74Å; Y11-F43 HydrophobicContact CE2-CD1 3.74Å; Y11-F43 AromaticContact CE2-CE1 3.93Å; Y11-F43 HydrophobicContact CE2-CE1 3.93Å; Y11-F43 PolarHBondContact OH-O 2.78Å; H40-F43 CarbonylContact O-C 3.56Å; H40-F43 VanDerWaalsContact O-C 3.31Å; H40-F43 PolarHBondContact O-N 3.26Å; F43-L45 PolarHBondContact O-N 2.86Å; F43-R96 HydrophobicContact CD1-CG 4.43Å; F43-R96 HydrophobicContact CE1-CG 3.9Å; F43-R96 HydrophobicContact CE2-CG 4.12Å; F43-R96 HydrophobicContact CZ-CG 3.73Å; F43-I173 HydrophobicContact CE1-CG2 3.91Å; F43-I173 HydrophobicContact CZ-CG2 4.46Å
44P90.6Very high90.6Very high74 Ų7449.7 Ų49.748%0.48127%0.266SS..PPolyproline II helixtrans-67.7126.4172.727.7-33.5000110.5N39 P46N39-P44 HydrophobicContact CB-CB 4.2Å; N39-P44 VanDerWaalsContact ND2-CB 3.34Å; N39-P44 WeakPolarHBondContact ND2-CB 3.41Å; P44-P46 VanDerWaalsContact O-CD 3.26Å; P44-P46 WeakPolarHBondContact O-CD 3.31Å
45L92.6Very high90.6Very high13 Ų1346.1 Ų46.17%0.06825%0.253CS..PPolyproline II helixtrans-60119-179-177.666.1000111.2Y11 V13 I31 R34 F43 V49 I173Y11-L45 HydrophobicContact CD1-CB 4.35Å; Y11-L45 HydrophobicContact CD1-CD2 4.23Å; Y11-L45 HydrophobicContact CD2-CB 4.2Å; Y11-L45 HydrophobicContact CD2-CD1 3.85Å; Y11-L45 HydrophobicContact CD2-CG 4.47Å; Y11-L45 HydrophobicContact CE1-CB 3.97Å; Y11-L45 HydrophobicContact CE2-CB 3.8Å; Y11-L45 HydrophobicContact CE2-CD1 4.21Å; Y11-L45 HydrophobicContact CG-CB 4.47Å; Y11-L45 HydrophobicContact CG-CD1 4.13Å; Y11-L45 HydrophobicContact CG-CD2 4.32Å; Y11-L45 PolarHBondContact OH-N 2.9Å; V13-L45 HydrophobicContact CG2-CD2 3.98Å; I31-L45 HydrophobicContact CD1-CD2 4.23Å; R34-L45 HydrophobicContact CB-CD2 4.5Å; F43-L45 PolarHBondContact O-N 2.86Å; L45-V49 HydrophobicContact CD1-CG2 4.05Å; L45-I173 HydrophobicContact CD1-CG1 4.34Å
46P91.2Very high90.4Very high51 Ų5148.6 Ų48.633%0.33127%0.265SS..PPolyproline II helixtrans-66.2147.9175.1-19.432.8000111.7P44 D48 V49P44-P46 VanDerWaalsContact O-CD 3.26Å; P44-P46 WeakPolarHBondContact O-CD 3.31Å; P46-D48 VanDerWaalsContact C-N 3.27Å; P46-D48 PolarHBondContact O-N 2.8Å; P46-V49 HydrophobicContact CB-CG2 4.22Å; P46-V49 HydrophobicContact CG-CG2 4.45Å; P46-V49 WeakPolarHBondContact O-CG2 3.33Å
47T87.4Confident90.2Very high105 Ų10548.2 Ų48.264%0.64426%0.262SS*.THydrogen-bonded Turntrans-62.6-38.1172.740.40000112V49 S50T47-V49 PolarHBondContact O-N 2.9Å; T47-S50 PolarHBondContact O-N 3.4Å; T47-S50 PolarHBondContact O-OG 2.81Å
48D90.5Very high90.2Very high66 Ų6644.2 Ų44.235%0.35324%0.236SC..THydrogen-bonded Turntrans-71.1-9.3-165.7-51.6-14.8000113.2P46 S50 F51 F52 M346P46-D48 VanDerWaalsContact C-N 3.27Å; P46-D48 PolarHBondContact O-N 2.8Å; D48-S50 PolarHBondContact O-N 2.89Å; D48-S50 VanDerWaalsContact O-N 3.1Å; D48-F51 HydrophobicContact CB-CD2 4.03Å; D48-F51 HydrophobicContact CB-CE2 4.48Å; D48-F51 WeakPolarHBondContact O-CB 3.47Å; D48-F51 WeakPolarHBondContact O-CD2 3.11Å; D48-F51 PolarHBondContact O-N 2.77Å; D48-F52 WeakPolarHBondContact O-CD2 3.3Å; D48-M346 HydrophobicContact CB-CE 4Å
49V94.7Very high90Very high1 Ų142.7 Ų42.71%0.00622%0.224CC..Hα-helixtrans-51.3-30.4170.6178.30000111.6L45 P46 T47 F51 F52 C53 F85 L87 I173L45-V49 HydrophobicContact CD1-CG2 4.05Å; P46-V49 HydrophobicContact CB-CG2 4.22Å; P46-V49 HydrophobicContact CG-CG2 4.45Å; P46-V49 WeakPolarHBondContact O-CG2 3.33Å; T47-V49 PolarHBondContact O-N 2.9Å; V49-F51 VanDerWaalsContact C-N 3.31Å; V49-F51 PolarHBondContact O-N 3.4Å; V49-F52 PolarHBondContact O-N 2.89Å; V49-C53 PolarHBondContact O-N 2.61Å; V49-C53 PolarHBondContact O-SG 2.84Å; V49-F85 HydrophobicContact CG1-CZ 4.17Å; V49-L87 HydrophobicContact CG2-CD1 3.65Å; V49-I173 HydrophobicContact CG1-CD1 3.97Å
50S94.9Very high89.6Confident8 Ų839.6 Ų39.66%0.05621%0.208CC..Hα-helixtrans-60.9-36.9175.665.90000113.4P29 T47 D48 C53 Q54P29-S50 WeakPolarHBondContact CB-O 3.36Å; P29-S50 VanDerWaalsContact CG-O 3.31Å; P29-S50 WeakPolarHBondContact CG-O 3.38Å; P29-S50 WeakPolarHBondContact O-CB 3.35Å; P29-S50 PolarHBondContact O-OG 3.01Å; T47-S50 PolarHBondContact O-N 3.4Å; T47-S50 PolarHBondContact O-OG 2.81Å; D48-S50 PolarHBondContact O-N 2.89Å; D48-S50 VanDerWaalsContact O-N 3.1Å; S50-C53 PolarHBondContact O-N 2.93Å; S50-Q54 PolarHBondContact O-N 2.66Å; S50-Q54 VanDerWaalsContact O-N 3.16Å
51F94.6Very high88.9Confident29 Ų2938.8 Ų38.813%0.12721%0.208CC..Hα-helixtrans-68.1-37.3175-57.3-68.9000111.6P29 D48 V49 Q54 P55 P343 M346P29-F51 HydrophobicContact CG-CD1 3.77Å; P29-F51 HydrophobicContact CG-CE1 4.32Å; P29-F51 HydrophobicContact CG-CG 4.41Å; D48-F51 HydrophobicContact CB-CD2 4.03Å; D48-F51 HydrophobicContact CB-CE2 4.48Å; D48-F51 WeakPolarHBondContact O-CB 3.47Å; D48-F51 WeakPolarHBondContact O-CD2 3.11Å; D48-F51 PolarHBondContact O-N 2.77Å; V49-F51 VanDerWaalsContact C-N 3.31Å; V49-F51 PolarHBondContact O-N 3.4Å; F51-Q54 CarbonylContact O-C 3.1Å; F51-Q54 PolarHBondContact O-N 3.42Å; F51-P55 VanDerWaalsContact O-CA 3.27Å; F51-P55 WeakPolarHBondContact O-CA 3.49Å; F51-P343 HydrophobicContact CB-CB 3.97Å; F51-P343 HydrophobicContact CB-CG 4.01Å; F51-P343 WeakPolarHBondContact O-CG 3.49Å; F51-M346 HydrophobicContact CB-CB 4.05Å; F51-M346 HydrophobicContact CD1-CB 4.43Å; F51-M346 HydrophobicContact CD2-CB 4.36Å; F51-M346 HydrophobicContact CD2-CG 4.15Å; F51-M346 HydrophobicContact CG-CB 4.05Å; F51-M346 HydrophobicContact CG-CG 4.34Å
52F95.6Very high88.1Confident24 Ų2436.4 Ų36.411%0.10521%0.212CC..Hα-helixtrans-69.5-32.7175.3-72-93000112.6D48 V49 Q54 F83 F85 L87 I339 L341 P343 M346D48-F52 WeakPolarHBondContact O-CD2 3.3Å; V49-F52 PolarHBondContact O-N 2.89Å; F52-Q54 VanDerWaalsContact C-N 3.33Å; F52-F83 WeakPolarHBondContact O-CE2 3.26Å; F52-F85 HydrophobicContact CB-CD1 3.99Å; F52-F85 HydrophobicContact CB-CD2 3.6Å; F52-F85 HydrophobicContact CB-CE1 3.91Å; F52-F85 HydrophobicContact CB-CE2 3.52Å; F52-F85 HydrophobicContact CB-CG 3.84Å; F52-F85 HydrophobicContact CB-CZ 3.67Å; F52-F85 HydrophobicContact CD1-CB 4.22Å; F52-F85 AromaticContact CD1-CD2 3.86Å; F52-F85 HydrophobicContact CD1-CD2 3.86Å; F52-F85 HydrophobicContact CD1-CE2 4.49Å; F52-F85 HydrophobicContact CD1-CG 4.16Å; F52-F85 AromaticContact CG-CD2 3.95Å; F52-F85 HydrophobicContact CG-CD2 3.95Å; F52-F85 HydrophobicContact CG-CE2 4.13Å; F52-F85 HydrophobicContact CG-CG 4.41Å; F52-L87 HydrophobicContact CD1-CD2 4.45Å; F52-L87 HydrophobicContact CD2-CD2 3.92Å; F52-L87 HydrophobicContact CE2-CD2 4.04Å; F52-L87 HydrophobicContact CG-CD2 4.15Å; F52-L87 HydrophobicContact CZ-CD2 4.34Å; F52-I339 HydrophobicContact CE1-CG2 4.44Å; F52-L341 WeakPolarHBondContact CD1-O 3.41Å; F52-L341 VanDerWaalsContact CE1-O 3.23Å; F52-L341 WeakPolarHBondContact CE1-O 3.45Å; F52-P343 HydrophobicContact CB-CG 4.47Å; F52-P343 HydrophobicContact CD1-CG 3.97Å; F52-P343 HydrophobicContact CD2-CG 4.14Å; F52-P343 HydrophobicContact CE1-CG 4.21Å; F52-P343 HydrophobicContact CE2-CG 4.35Å; F52-P343 HydrophobicContact CG-CG 3.94Å; F52-P343 HydrophobicContact CZ-CG 4.38Å; F52-M346 HydrophobicContact CE2-SD 4.13Å
53C95.9Very high87.3Confident0 Ų034.7 Ų34.70%021%0.208CC..Hα-helixtrans-67.7-30.7171.8-64.90000113.2V15 V49 S50 N102 S169 C171V15-C53 HydrophobicContact CB-CB 3.99Å; V15-C53 HydrophobicContact CG1-CB 4.02Å; V15-C53 HydrophobicContact CG2-CB 4Å; V49-C53 PolarHBondContact O-N 2.61Å; V49-C53 PolarHBondContact O-SG 2.84Å; S50-C53 PolarHBondContact O-N 2.93Å; C53-N102 PolarHBondContact O-ND2 2.94Å; C53-N102 PolarHBondContact O-OD1 3.48Å; C53-S169 PolarHBondContact O-OG 2.96Å; C53-C171 WeakPolarHBondContact SG-CB 3.28Å
54Q93.8Very high86.1Confident1 Ų136.2 Ų36.21%0.00522%0.221CC..SBendtrans-135.378.5-179.9-61.7-166.710.900110.4V15 P29 S50 F51 F52 E56 G57 C58 L167 S169 C345V15-Q54 HydrophobicContact CG1-CG 4.34Å; V15-Q54 PolarHBondContact O-NE2 3.36Å; P29-Q54 HydrophobicContact CB-CB 4.09Å; P29-Q54 HydrophobicContact CG-CB 4.35Å; S50-Q54 PolarHBondContact O-N 2.66Å; S50-Q54 VanDerWaalsContact O-N 3.16Å; F51-Q54 CarbonylContact O-C 3.1Å; F51-Q54 PolarHBondContact O-N 3.42Å; F52-Q54 VanDerWaalsContact C-N 3.33Å; Q54-E56 PolarHBondContact O-N 3.42Å; Q54-E56 VanDerWaalsContact O-N 3.1Å; Q54-G57 PolarHBondContact O-N 2.98Å; Q54-C58 PolarHBondContact OE1-SG 2.79Å; Q54-L167 HydrophobicContact CB-CD2 4.37Å; Q54-L167 HydrophobicContact CG-CD2 4.13Å; Q54-L167 HydrophobicContact CG-CG 4.39Å; Q54-L167 PolarHBondContact NE2-O 2.88Å; Q54-S169 WeakPolarHBondContact CG-OG 3.27Å; Q54-S169 PolarHBondContact NE2-OG 2.91Å; Q54-C345 PolarHBondContact O-SG 3.3Å
55P92.3Very high84.4Confident1 Ų134.6 Ų34.61%0.00621%0.21CC..THydrogen-bonded Turntrans-62.2-24.9-167.524.4-36.8000114.7F51 Y315 L341 P343 A344 C345 P364F51-P55 VanDerWaalsContact O-CA 3.27Å; F51-P55 WeakPolarHBondContact O-CA 3.49Å; P55-Y315 HydrophobicContact CG-CD1 4.41Å; P55-Y315 HydrophobicContact CG-CD2 3.79Å; P55-Y315 HydrophobicContact CG-CE1 4.1Å; P55-Y315 HydrophobicContact CG-CE2 3.44Å; P55-Y315 VanDerWaalsContact CG-CE2 3.44Å; P55-Y315 HydrophobicContact CG-CG 4.27Å; P55-L341 HydrophobicContact CB-CD2 4.35Å; P55-L341 HydrophobicContact CB-CG 4.46Å; P55-L341 HydrophobicContact CG-CD2 4.18Å; P55-P343 HydrophobicContact CB-CB 4.27Å; P55-P343 CarbonylContact O-C 3.51Å; P55-A344 PolarHBondContact O-N 3.03Å; P55-C345 PolarHBondContact O-N 3.28Å; P55-C345 PolarHBondContact O-SG 2.65Å; P55-P364 HydrophobicContact CB-CG 4.32Å
56E89.5Confident82.6Confident73 Ų7335.6 Ų35.634%0.34121%0.214SC..THydrogen-bonded Turntrans-98.71175.3-65.2-176.7179.500113.8V26 Q54 Y315 T366V26-E56 WeakPolarHBondContact CG1-O 3.29Å; Q54-E56 PolarHBondContact O-N 3.42Å; Q54-E56 VanDerWaalsContact O-N 3.1Å; E56-Y315 WeakPolarHBondContact CG-OH 3.43Å; E56-Y315 PolarHBondContact OE1-OH 3.33Å; E56-Y315 VanDerWaalsContact OE1-OH 3.12Å; E56-T366 VanDerWaalsContact CD-OG1 3.28Å; E56-T366 VanDerWaalsContact OE1-CB 3.32Å; E56-T366 WeakPolarHBondContact OE1-CB 3.49Å; E56-T366 WeakPolarHBondContact OE1-CG2 3.48Å; E56-T366 PolarHBondContact OE1-OG1 3Å
57G87.4Confident80.6Confident1 Ų138.4 Ų38.41%0.0123%0.232CC..  trans91171.9-177.400000114.2Q54 I59 C345Q54-G57 PolarHBondContact O-N 2.98Å; G57-I59 PolarHBondContact O-N 3.11Å; G57-C345 PolarHBondContact N-SG 3.19Å
58C85.2Confident78.7Confident1 Ų137.5 Ų37.51%0.00722%0.222CC..EExtended strand (participates in β ladder)trans-69.6128.4173.6-70.30000110.3V26 Q27 P29 Q54V26-C58 CarbonylContact C-O 3.44Å; V26-C58 WeakPolarHBondContact CA-O 3.3Å; Q27-C58 HydrophobicContact CB-CB 4.02Å; Q27-C58 PolarHBondContact N-O 3.22Å; Q27-C58 WeakPolarHBondContact O-CB 3.45Å; Q27-C58 PolarHBondContact O-N 3.45Å; P29-C58 VanDerWaalsContact CA-SG 3.56Å; Q54-C58 PolarHBondContact OE1-SG 2.79Å
59I83.4Confident76.4Confident53 Ų5344.5 Ų44.527%0.27225%0.25SC..EExtended strand (participates in β ladder)trans-123.1136.8175.251.4168.9000111.7V26 G57 F104 L167V26-I59 HydrophobicContact CG1-CG2 4.48Å; V26-I59 HydrophobicContact CG2-CG2 4.08Å; G57-I59 PolarHBondContact O-N 3.11Å; I59-F104 HydrophobicContact CD1-CE1 4.44Å; I59-F104 HydrophobicContact CD1-CZ 3.99Å; I59-F104 HydrophobicContact CG1-CE1 4.22Å; I59-F104 HydrophobicContact CG1-CZ 4.24Å; I59-L167 HydrophobicContact CG1-CB 4.07Å; I59-L167 HydrophobicContact CG1-CD2 4.06Å; I59-L167 PolarHBondContact O-N 2.86Å
60N79.4Confident73.6Confident9 Ų948 Ų485%0.04827%0.274CS..EExtended strand (participates in β ladder)trans-95.1123.9171.7-76.1-23.7000110.7G21 V164 Y165 N166G21-N60 PolarHBondContact N-ND2 3.21Å; G21-N60 PolarHBondContact O-ND2 3.38Å; N60-V164 HydrophobicContact CB-CG1 4.21Å; N60-Y165 CarbonylContact C-O 3.49Å; N60-Y165 VanDerWaalsContact CA-O 3.24Å; N60-Y165 WeakPolarHBondContact CA-O 3.33Å; N60-N166 WeakPolarHBondContact OD1-CA 3.34Å; N60-N166 WeakPolarHBondContact OD1-CB 3.48Å; N60-N166 VanDerWaalsContact OD1-CG 3.23Å; N60-N166 PolarHBondContact OD1-OD1 2.82Å
61A73.3Confident70.7Confident22 Ų2256.2 Ų56.218%0.18232%0.316CS..EExtended strand (participates in β ladder)trans-118.3152.2-176.400000112.3S63 F104 Y165A61-S63 VanDerWaalsContact C-N 3.28Å; A61-S63 WeakPolarHBondContact CB-O 3.37Å; A61-F104 HydrophobicContact CB-CD1 4.05Å; A61-F104 HydrophobicContact CB-CE1 3.63Å; A61-F104 HydrophobicContact CB-CZ 4.06Å; A61-Y165 PolarHBondContact N-O 2.93Å; A61-Y165 PolarHBondContact O-N 3.21Å
62S66.9Low67.8Low118 Ų11859.7 Ų59.783%0.82534%0.336SS*.SBendtrans-83.6-2.6170.853.30000113.6
63S66Low64.8Low58 Ų5866.6 Ų66.641%0.40638%0.375SS..SBendtrans-133.2155.9-178.3-176.50000110A61 T65A61-S63 VanDerWaalsContact C-N 3.28Å; A61-S63 WeakPolarHBondContact CB-O 3.37Å; S63-T65 VanDerWaalsContact C-N 3.26Å; S63-T65 PolarHBondContact O-N 3.42Å
64S62.1Low61.8Low52 Ų5273 Ų7336%0.36441%0.408SS..SBendtrans-87.210.1178.559.30000114.1
65T55.1Low59.1Low41 Ų4184.8 Ų84.825%0.25245%0.453SS..SBendtrans-125.9138.5-165.2-54.50000110.7S63S63-T65 VanDerWaalsContact C-N 3.26Å; S63-T65 PolarHBondContact O-N 3.42Å
66F54.9Low56.6Low33 Ų3391.4 Ų91.415%0.14549%0.488CS..  trans-71.5131.2-178.5-73.2-89.2000112.3I68 I78 N102 F104 L167F66-I68 HydrophobicContact CB-CD1 4.37Å; F66-I68 HydrophobicContact CB-CG1 4.28Å; F66-I68 PolarHBondContact O-N 2.8Å; F66-I78 PolarHBondContact N-O 2.96Å; F66-N102 HydrophobicContact CZ-CB 4.07Å; F66-F104 AromaticContact CD1-CE2 3.65Å; F66-F104 HydrophobicContact CD1-CE2 3.65Å; F66-F104 HydrophobicContact CD1-CZ 4.3Å; F66-F104 HydrophobicContact CD2-CD2 4.21Å; F66-F104 HydrophobicContact CD2-CE2 4.07Å; F66-F104 HydrophobicContact CE1-CD2 4.33Å; F66-F104 AromaticContact CE1-CE2 3.64Å; F66-F104 HydrophobicContact CE1-CE2 3.64Å; F66-F104 HydrophobicContact CE1-CZ 4.16Å; F66-F104 HydrophobicContact CE2-CD2 4.01Å; F66-F104 HydrophobicContact CE2-CE2 4.06Å; F66-F104 HydrophobicContact CG-CD2 4.45Å; F66-F104 AromaticContact CG-CE2 3.86Å; F66-F104 HydrophobicContact CG-CE2 3.86Å; F66-F104 HydrophobicContact CZ-CD2 4.06Å; F66-F104 AromaticContact CZ-CE2 3.85Å; F66-F104 HydrophobicContact CZ-CE2 3.85Å; F66-L167 HydrophobicContact CE1-CD1 3.63Å; F66-L167 HydrophobicContact CZ-CD1 3.6Å
67P50Low54.6Low110 Ų11089.4 Ų89.471%0.71449%0.488SS*.  trans-8264.217735.1-36.1000111.4
68I48Very low53Low87 Ų8791.8 Ų91.845%0.44650%0.499SS..  trans-71.6129.6173-68.1166.9000108.7F66 S70 I78F66-I68 HydrophobicContact CB-CD1 4.37Å; F66-I68 HydrophobicContact CB-CG1 4.28Å; F66-I68 PolarHBondContact O-N 2.8Å; I68-S70 PolarHBondContact O-N 3.39Å; I68-S70 VanDerWaalsContact O-N 3.1Å; I68-I78 HydrophobicContact CD1-CD1 4.01Å
69K40.4Very low52Low213 Ų21397.4 Ų97.493%0.92652%0.524SS*.  trans-83.751.7176.3-68-176.6177.4178.10112.1
70S37.2Very low51.8Low75 Ų7595.4 Ų95.452%0.52452%0.515SS..  trans-73.1131.9167.748.80000109.3I68 D72I68-S70 PolarHBondContact O-N 3.39Å; I68-S70 VanDerWaalsContact O-N 3.1Å; S70-D72 PolarHBondContact O-N 3.1Å
71L34.4Very low52.1Low179 Ų17996.5 Ų96.594%0.93752%0.52SS*.SBendtrans-79.455.1-176.5-168.770.2000111.9
72D33.3Very low53Low103 Ų10396.2 Ų96.255%0.55152%0.516SS*.  trans-144.3132.7179.6-109.2-43.9000112.3S70 N74S70-D72 PolarHBondContact O-N 3.1Å; D72-N74 VanDerWaalsContact C-N 3.27Å; D72-N74 PolarHBondContact O-N 3.11Å; D72-N74 VanDerWaalsContact O-N 3.13Å
73N31.4Very low54.3Low169 Ų16990.6 Ų90.690%0.90448%0.477SS*.  trans-86.628.9-167-79.7-57.5000114.7
74N34.8Very low55.7Low133 Ų13388 Ų8871%0.71146%0.458SS*.  trans-92.2136.8179.9-93.2-37.1000113D72 D76D72-N74 VanDerWaalsContact C-N 3.27Å; D72-N74 PolarHBondContact O-N 3.11Å; D72-N74 VanDerWaalsContact O-N 3.13Å; N74-D76 PolarHBondContact O-N 3.44Å
75R35.5Very low57.3Low250 Ų25085.6 Ų85.694%0.94344%0.441SS*.SBendtrans-80.9-7.8-163.2-72.7-179.8170.2176.1-2.5116G77R75-G77 PolarHBondContact O-N 3.31Å
76D40.4Very low59.2Low139 Ų13984 Ų8474%0.74343%0.432SS*.  trans-90.167.9-175.7-92.7-58.1000113.4N74 K79N74-D76 PolarHBondContact O-N 3.44Å; D76-K79 IonicContact OD1-NZ 2.85Å
77G46.5Very low61Low32 Ų3283.7 Ų83.733%0.3343%0.431SS..  trans-60.8149178.300000114.3R75 K79R75-G77 PolarHBondContact O-N 3.31Å; G77-K79 PolarHBondContact O-N 3Å
78I54.5Low62.9Low50 Ų5082 Ų8226%0.25642%0.42SS..  trans-67.3126.5-169.4-64.5176.7000112.2F66 I68 S80F66-I78 PolarHBondContact N-O 2.96Å; I68-I78 HydrophobicContact CD1-CD1 4.01Å; I78-S80 WeakPolarHBondContact CG2-O 3.36Å
79K64.6Low64.6Low119 Ų11981.1 Ų81.152%0.51742%0.415SS..SBendtrans-90.4-4.9-173.1-68.1163.2-175.3152.10114.8D76 G77 Y190D76-K79 IonicContact OD1-NZ 2.85Å; G77-K79 PolarHBondContact O-N 3Å; K79-Y190 PolarHBondContact O-OH 3.2Å
80S79.2Confident66.2Low12 Ų1278.2 Ų78.28%0.08440%0.403CS..  trans-176.3135.9175.753.20000110.2I78 N102I78-S80 WeakPolarHBondContact CG2-O 3.36Å; S80-N102 VanDerWaalsContact CA-O 3.28Å; S80-N102 WeakPolarHBondContact CA-O 3.31Å
81M85.1Confident67.8Low31 Ų3181.1 Ų81.115%0.15341%0.412CS..EExtended strand (participates in β ladder)trans-103.7136.8174.6-174.1-175.3-170.700109.6F83 T101 N102 D314 Y315M81-F83 HydrophobicContact CG-CD1 4.46Å; M81-T101 CarbonylContact O-C 3.58Å; M81-T101 WeakPolarHBondContact O-CA 3.45Å; M81-N102 PolarHBondContact N-O 2.79Å; M81-N102 PolarHBondContact O-N 3.17Å; M81-D314 VanDerWaalsContact CE-OD1 3.27Å; M81-D314 WeakPolarHBondContact CE-OD1 3.5Å; M81-Y315 HydrophobicContact CE-CD2 3.6Å; M81-Y315 HydrophobicContact CE-CE2 4.19Å; M81-Y315 HydrophobicContact CE-CG 3.83Å; M81-Y315 HydrophobicContact SD-CD2 3.8Å; M81-Y315 HydrophobicContact SD-CE2 3.98Å
82T91.7Very high69.5Low16 Ų1675.2 Ų75.210%0.09839%0.386CS..EExtended strand (participates in β ladder)trans-120.5132.4172.4-570000109.4I99 C100 T101 A183 Q187T82-I99 HydrophobicContact CG2-CG2 4.46Å; T82-C100 VanDerWaalsContact CA-O 3.29Å; T82-C100 WeakPolarHBondContact CA-O 3.46Å; T82-T101 WeakPolarHBondContact CG2-OG1 3.31Å; T82-T101 PolarHBondContact OG1-OG1 3.02Å; T82-A183 HydrophobicContact CG2-CB 4.13Å; T82-Q187 PolarHBondContact OG1-NE2 3.24Å
83F94.8Very high71.5Confident1 Ų174.4 Ų74.40%0.00439%0.388CS..EExtended strand (participates in β ladder)trans-146.8166.6179.763.2-83.8000111.1F52 M81 F85 C100 Y315 N316 L341F52-F83 WeakPolarHBondContact O-CE2 3.26Å; M81-F83 HydrophobicContact CG-CD1 4.46Å; F83-F85 HydrophobicContact CE2-CD1 4.1Å; F83-C100 HydrophobicContact CE1-CB 4.1Å; F83-C100 HydrophobicContact CE2-CB 4.08Å; F83-C100 HydrophobicContact CZ-CB 3.83Å; F83-C100 PolarHBondContact N-O 3.18Å; F83-C100 PolarHBondContact O-N 3.35Å; F83-Y315 HydrophobicContact CD1-CD2 4.09Å; F83-Y315 HydrophobicContact CE1-CD2 4.12Å; F83-Y315 HydrophobicContact CG-CD2 4.32Å; F83-Y315 HydrophobicContact CZ-CD2 4.37Å; F83-N316 WeakPolarHBondContact CA-OD1 3.49Å; F83-N316 HydrophobicContact CB-CB 3.84Å; F83-L341 HydrophobicContact CD2-CD2 3.68Å; F83-L341 HydrophobicContact CE2-CD2 3.48Å; F83-L341 VanDerWaalsContact CE2-CD2 3.48Å; F83-L341 HydrophobicContact CZ-CD2 4.49Å
84L95.4Very high73.9Confident4 Ų470.4 Ų70.42%0.02136%0.363CS..EExtended strand (participates in β ladder)trans-112.7146175.7176.3152.2000110Y97 G98 I99 A179 S319 L323L84-Y97 HydrophobicContact CD1-CD1 4.29Å; L84-Y97 HydrophobicContact CD2-CD1 4.32Å; L84-G98 CarbonylContact C-O 3.59Å; L84-G98 WeakPolarHBondContact CA-O 3.46Å; L84-I99 HydrophobicContact CD1-CD1 4.36Å; L84-I99 HydrophobicContact CD1-CG1 4.23Å; L84-A179 HydrophobicContact CD1-CB 3.62Å; L84-S319 WeakPolarHBondContact O-CB 3.26Å; L84-S319 PolarHBondContact O-OG 3.35Å; L84-L323 HydrophobicContact CD2-CD1 3.54Å
85F96.1Very high76.4Confident0 Ų066.5 Ų66.50%034%0.344CS..EExtended strand (participates in β ladder)trans-132.2175.6163.863.1-95.1000109.8V49 F52 F83 L87 G98 C100 I173 L341V49-F85 HydrophobicContact CG1-CZ 4.17Å; F52-F85 HydrophobicContact CB-CD1 3.99Å; F52-F85 HydrophobicContact CB-CD2 3.6Å; F52-F85 HydrophobicContact CB-CE1 3.91Å; F52-F85 HydrophobicContact CB-CE2 3.52Å; F52-F85 HydrophobicContact CB-CG 3.84Å; F52-F85 HydrophobicContact CB-CZ 3.67Å; F52-F85 HydrophobicContact CD1-CB 4.22Å; F52-F85 AromaticContact CD1-CD2 3.86Å; F52-F85 HydrophobicContact CD1-CD2 3.86Å; F52-F85 HydrophobicContact CD1-CE2 4.49Å; F52-F85 HydrophobicContact CD1-CG 4.16Å; F52-F85 AromaticContact CG-CD2 3.95Å; F52-F85 HydrophobicContact CG-CD2 3.95Å; F52-F85 HydrophobicContact CG-CE2 4.13Å; F52-F85 HydrophobicContact CG-CG 4.41Å; F83-F85 HydrophobicContact CE2-CD1 4.1Å; F85-L87 HydrophobicContact CD2-CD2 4.17Å; F85-L87 HydrophobicContact CD2-CG 4.25Å; F85-L87 HydrophobicContact CE2-CD1 4.2Å; F85-L87 HydrophobicContact CE2-CD2 3.93Å; F85-L87 HydrophobicContact CE2-CG 3.92Å; F85-G98 WeakPolarHBondContact CD1-O 3.27Å; F85-G98 PolarHBondContact N-O 2.84Å; F85-G98 PolarHBondContact O-N 2.92Å; F85-C100 HydrophobicContact CD1-CB 4.46Å; F85-C100 HydrophobicContact CE1-CB 4.08Å; F85-I173 HydrophobicContact CE2-CD1 4.34Å; F85-I173 HydrophobicContact CZ-CD1 4.06Å; F85-L341 HydrophobicContact CB-CB 4.32Å; F85-L341 HydrophobicContact CB-CD2 4.48Å
86S95.1Very high79.2Confident9 Ų955.2 Ų55.26%0.06330%0.302CS..EExtended strand (participates in β ladder)trans-134.3150.1171.666.50000112.9R96 P340S86-R96 CarbonylContact C-O 3.59Å; S86-R96 WeakPolarHBondContact CA-O 3.17Å; S86-R96 WeakPolarHBondContact CB-O 3.21Å; S86-P340 WeakPolarHBondContact OG-CD 3.47Å; S86-P340 WeakPolarHBondContact OG-CG 3.45Å
87L93.2Very high81.8Confident25 Ų2551 Ų5113%0.13128%0.275CS..EExtended strand (participates in β ladder)trans-116.8128.2174.3-53.5168.7000107.3V49 F52 F85 T95 R96 I173V49-L87 HydrophobicContact CG2-CD1 3.65Å; F52-L87 HydrophobicContact CD1-CD2 4.45Å; F52-L87 HydrophobicContact CD2-CD2 3.92Å; F52-L87 HydrophobicContact CE2-CD2 4.04Å; F52-L87 HydrophobicContact CG-CD2 4.15Å; F52-L87 HydrophobicContact CZ-CD2 4.34Å; F85-L87 HydrophobicContact CD2-CD2 4.17Å; F85-L87 HydrophobicContact CD2-CG 4.25Å; F85-L87 HydrophobicContact CE2-CD1 4.2Å; F85-L87 HydrophobicContact CE2-CD2 3.93Å; F85-L87 HydrophobicContact CE2-CG 3.92Å; L87-T95 CarbonylContact O-C 3.59Å; L87-T95 WeakPolarHBondContact O-CA 3.39Å; L87-R96 PolarHBondContact N-O 3Å; L87-R96 PolarHBondContact O-N 2.76Å; L87-I173 HydrophobicContact CD1-CD1 4.5Å
88T89.6Confident84.2Confident76 Ų7649.4 Ų49.447%0.46626%0.26SS..EExtended strand (participates in β ladder)trans-115.1120.9-179.3-52.40000109.1K90T88-K90 PolarHBondContact O-N 2.82Å
89D82.9Confident86.2Confident67 Ų6747.2 Ų47.236%0.35825%0.248SC..  trans-64.8132.7171.3173.633.7000110.2D91 S92 S93 K94D89-D91 PolarHBondContact OD1-N 3.44Å; D89-S92 WeakPolarHBondContact OD2-CB 3.46Å; D89-S92 PolarHBondContact OD2-N 3.03Å; D89-S92 PolarHBondContact OD2-OG 3.25Å; D89-S93 WeakPolarHBondContact O-CA 3.47Å; D89-S93 PolarHBondContact O-N 2.96Å; D89-S93 VanDerWaalsContact O-N 3.09Å; D89-K94 PolarHBondContact N-O 2.91Å; D89-K94 VanDerWaalsContact N-O 3.16Å
90K74.9Confident87.8Confident152 Ų15241.5 Ų41.566%0.66122%0.224SC*.THydrogen-bonded Turntrans-69.2-37.2-174.5-178.7-166.6167.9-153.50112.5T88T88-K90 PolarHBondContact O-N 2.82Å
91D69.9Low88.5Confident136 Ų13641 Ų4173%0.72722%0.22SC*.THydrogen-bonded Turntrans-99.2-30.5-167.3-63.2-23.9000112.3D89D89-D91 PolarHBondContact OD1-N 3.44Å
92S71.3Confident88.9Confident56 Ų5639.7 Ų39.739%0.39221%0.213SC..THydrogen-bonded Turntrans-98.8-6.417274.50000115.4D89 K94D89-S92 WeakPolarHBondContact OD2-CB 3.46Å; D89-S92 PolarHBondContact OD2-N 3.03Å; D89-S92 PolarHBondContact OD2-OG 3.25Å; S92-K94 PolarHBondContact O-N 3.35Å; S92-K94 WeakPolarHBondContact OG-CB 3.42Å; S92-K94 WeakPolarHBondContact OG-CG 3.32Å; S92-K94 PolarHBondContact OG-N 3.2Å
93S73.8Confident88.8Confident85 Ų8539.1 Ų39.159%0.59421%0.21SC*.  trans55.315.3-171.4-57.30000114.9D89 T95D89-S93 WeakPolarHBondContact O-CA 3.47Å; D89-S93 PolarHBondContact O-N 2.96Å; D89-S93 VanDerWaalsContact O-N 3.09Å; S93-T95 PolarHBondContact O-N 3.03Å
94K82.6Confident88.4Confident86 Ų8639.8 Ų39.837%0.37421%0.213SC..  trans-80.6114.5-179.9-69.1-178.5174.8-172.80111.1N3 D89 S92 R96N3-K94 WeakPolarHBondContact OD1-CE 3.4Å; N3-K94 PolarHBondContact OD1-NZ 2.84Å; D89-K94 PolarHBondContact N-O 2.91Å; D89-K94 VanDerWaalsContact N-O 3.16Å; S92-K94 PolarHBondContact O-N 3.35Å; S92-K94 WeakPolarHBondContact OG-CB 3.42Å; S92-K94 WeakPolarHBondContact OG-CG 3.32Å; S92-K94 PolarHBondContact OG-N 3.2Å; K94-R96 PolarHBondContact O-NH1 3.02Å; K94-R96 VanDerWaalsContact O-NH1 3.14Å
95T88.4Confident87.8Confident51 Ų5141.2 Ų41.231%0.31322%0.218SC..EExtended strand (participates in β ladder)trans-69.5154.8172.9-43.80000112.4L87 S93 Y97L87-T95 CarbonylContact O-C 3.59Å; L87-T95 WeakPolarHBondContact O-CA 3.39Å; S93-T95 PolarHBondContact O-N 3.03Å; T95-Y97 HydrophobicContact CG2-CE1 4.46Å
96R92.7Very high86.8Confident12 Ų1242.8 Ų42.85%0.04523%0.228CC..EExtended strand (participates in β ladder)trans-128.8148.7159.6-60.3-60.1177.6-64.6-9.8108.8D10 F43 S86 L87 K94 I173 T174 H175D10-R96 IonicContact OD2-NE 2.63Å; F43-R96 HydrophobicContact CD1-CG 4.43Å; F43-R96 HydrophobicContact CE1-CG 3.9Å; F43-R96 HydrophobicContact CE2-CG 4.12Å; F43-R96 HydrophobicContact CZ-CG 3.73Å; S86-R96 CarbonylContact C-O 3.59Å; S86-R96 WeakPolarHBondContact CA-O 3.17Å; S86-R96 WeakPolarHBondContact CB-O 3.21Å; L87-R96 PolarHBondContact N-O 3Å; L87-R96 PolarHBondContact O-N 2.76Å; K94-R96 PolarHBondContact O-NH1 3.02Å; K94-R96 VanDerWaalsContact O-NH1 3.14Å; R96-I173 HydrophobicContact CB-CG2 4.16Å; R96-T174 CarbonylContact C-O 3.6Å; R96-T174 VanDerWaalsContact CA-O 3.29Å; R96-T174 WeakPolarHBondContact CA-O 3.17Å; R96-T174 WeakPolarHBondContact CB-O 3.04Å; R96-H175 PolarHBondContact NE-CD2 3.28Å; R96-H175 PolarHBondContact NE-ND1 2.9Å
97Y95.8Very high85.6Confident50 Ų5043.6 Ų43.620%0.19623%0.233CC..EExtended strand (participates in β ladder)trans-99.8134.4173.9-57.9-77.8000109.8L84 T95 I173 T174 P177L84-Y97 HydrophobicContact CD1-CD1 4.29Å; L84-Y97 HydrophobicContact CD2-CD1 4.32Å; T95-Y97 HydrophobicContact CG2-CE1 4.46Å; Y97-I173 WeakPolarHBondContact O-CA 3.47Å; Y97-T174 PolarHBondContact N-O 2.91Å; Y97-T174 PolarHBondContact O-N 2.89Å; Y97-P177 HydrophobicContact CD2-CB 4.48Å; Y97-P177 HydrophobicContact CE2-CB 3.88Å
98G96.8Very high84.1Confident0 Ų047.3 Ų47.30%025%0.253CS..EExtended strand (participates in β ladder)trans-111113.317200000109.9L84 F85 L172L84-G98 CarbonylContact C-O 3.59Å; L84-G98 WeakPolarHBondContact CA-O 3.46Å; F85-G98 WeakPolarHBondContact CD1-O 3.27Å; F85-G98 PolarHBondContact N-O 2.84Å; F85-G98 PolarHBondContact O-N 2.92Å; G98-L172 CarbonylContact C-O 3.46Å; G98-L172 WeakPolarHBondContact CA-O 3.3Å
99I97.3Very high82.4Confident3 Ų348.3 Ų48.32%0.01526%0.258CS..EExtended strand (participates in β ladder)trans-101.5119.8177.1-64.980.3000107.3T82 L84 C171 L172 T174 F182 A183 V186T82-I99 HydrophobicContact CG2-CG2 4.46Å; L84-I99 HydrophobicContact CD1-CD1 4.36Å; L84-I99 HydrophobicContact CD1-CG1 4.23Å; I99-C171 CarbonylContact O-C 3.53Å; I99-C171 VanDerWaalsContact O-CA 3.27Å; I99-C171 WeakPolarHBondContact O-CA 3.25Å; I99-C171 PolarHBondContact O-SG 3.32Å; I99-C171 VanDerWaalsContact O-SG 3.34Å; I99-L172 HydrophobicContact CD1-CD2 4.33Å; I99-L172 PolarHBondContact N-O 2.8Å; I99-L172 PolarHBondContact O-N 2.85Å; I99-T174 HydrophobicContact CD1-CG2 4.21Å; I99-F182 HydrophobicContact CB-CB 4.42Å; I99-F182 HydrophobicContact CD1-CB 4Å; I99-F182 HydrophobicContact CD1-CD2 4.25Å; I99-F182 HydrophobicContact CG1-CB 3.97Å; I99-A183 HydrophobicContact CG2-CB 4.25Å; I99-V186 HydrophobicContact CG2-CG2 4.13Å
100C96.9Very high80.7Confident0 Ų053.7 Ų53.70%028%0.279CS..EExtended strand (participates in β ladder)trans-126.3132.9-168.5-164.30000112.1T82 F83 F85 N102 I170 C171T82-C100 VanDerWaalsContact CA-O 3.29Å; T82-C100 WeakPolarHBondContact CA-O 3.46Å; F83-C100 HydrophobicContact CE1-CB 4.1Å; F83-C100 HydrophobicContact CE2-CB 4.08Å; F83-C100 HydrophobicContact CZ-CB 3.83Å; F83-C100 PolarHBondContact N-O 3.18Å; F83-C100 PolarHBondContact O-N 3.35Å; F85-C100 HydrophobicContact CD1-CB 4.46Å; F85-C100 HydrophobicContact CE1-CB 4.08Å; C100-N102 PolarHBondContact SG-OD1 2.95Å; C100-I170 WeakPolarHBondContact CA-O 3.48Å; C100-C171 HydrophobicContact CB-CB 4.28Å
101T94.9Very high79.1Confident0 Ų050.5 Ų50.50%028%0.275CS..EExtended strand (participates in β ladder)trans-114.9117.8170.4-62.80000110.3M81 T82 F103 S169 I170 V186 Y190M81-T101 CarbonylContact O-C 3.58Å; M81-T101 WeakPolarHBondContact O-CA 3.45Å; T82-T101 WeakPolarHBondContact CG2-OG1 3.31Å; T82-T101 PolarHBondContact OG1-OG1 3.02Å; T101-F103 HydrophobicContact CG2-CD1 4.47Å; T101-F103 WeakPolarHBondContact O-CD1 3.16Å; T101-S169 WeakPolarHBondContact O-CA 3.5Å; T101-I170 PolarHBondContact N-O 2.68Å; T101-I170 PolarHBondContact O-N 2.88Å; T101-V186 WeakPolarHBondContact OG1-CG1 3.43Å; T101-Y190 HydrophobicContact CG2-CD1 4.05Å; T101-Y190 HydrophobicContact CG2-CG 4.35Å
102N92.8Very high77.7Confident4 Ų448.6 Ų48.62%0.02127%0.268CS..EExtended strand (participates in β ladder)trans-99.8137179.7-74.36.7000111.4C53 F66 S80 M81 C100 L167 S169C53-N102 PolarHBondContact O-ND2 2.94Å; C53-N102 PolarHBondContact O-OD1 3.48Å; F66-N102 HydrophobicContact CZ-CB 4.07Å; S80-N102 VanDerWaalsContact CA-O 3.28Å; S80-N102 WeakPolarHBondContact CA-O 3.31Å; M81-N102 PolarHBondContact N-O 2.79Å; M81-N102 PolarHBondContact O-N 3.17Å; C100-N102 PolarHBondContact SG-OD1 2.95Å; N102-L167 HydrophobicContact CB-CD1 4.18Å; N102-S169 WeakPolarHBondContact OD1-CB 3.35Å; N102-S169 PolarHBondContact OD1-OG 2.89Å
103F90.2Very high75.9Confident5 Ų551.1 Ų51.12%0.02229%0.286CS..EExtended strand (participates in β ladder)trans-155.2160.2-177.755.9-86.4000111.9T101 T168 I170 Y190 W211T101-F103 HydrophobicContact CG2-CD1 4.47Å; T101-F103 WeakPolarHBondContact O-CD1 3.16Å; F103-T168 WeakPolarHBondContact CD1-O 3.4Å; F103-T168 HydrophobicContact CE2-CG2 3.83Å; F103-T168 HydrophobicContact CZ-CG2 3.67Å; F103-T168 PolarHBondContact N-O 2.92Å; F103-T168 PolarHBondContact O-N 3.04Å; F103-I170 HydrophobicContact CE1-CD1 3.61Å; F103-I170 HydrophobicContact CE1-CG1 3.77Å; F103-I170 HydrophobicContact CZ-CD1 3.97Å; F103-I170 HydrophobicContact CZ-CG1 4.07Å; F103-Y190 HydrophobicContact CB-CE2 3.84Å; F103-Y190 WeakPolarHBondContact CB-OH 3.36Å; F103-Y190 AromaticContact CD1-CD2 3.81Å; F103-Y190 HydrophobicContact CD1-CD2 3.81Å; F103-Y190 AromaticContact CD1-CE2 3.64Å; F103-Y190 HydrophobicContact CD1-CE2 3.64Å; F103-Y190 HydrophobicContact CD2-CD2 4.45Å; F103-Y190 AromaticContact CD2-CE2 3.75Å; F103-Y190 HydrophobicContact CD2-CE2 3.75Å; F103-Y190 AromaticContact CE1-CD2 3.97Å; F103-Y190 HydrophobicContact CE1-CD2 3.97Å; F103-Y190 HydrophobicContact CE1-CE2 4.15Å; F103-Y190 HydrophobicContact CE2-CE2 4.23Å; F103-Y190 HydrophobicContact CG-CD2 4.09Å; F103-Y190 AromaticContact CG-CE2 3.43Å; F103-Y190 HydrophobicContact CG-CE2 3.43Å; F103-Y190 VanDerWaalsContact CG-CE2 3.43Å; F103-Y190 AromaticContact CG-CZ 3.87Å; F103-Y190 HydrophobicContact CZ-CD2 4.35Å; F103-Y190 HydrophobicContact CZ-CE2 4.43Å; F103-W211 AromaticContact CE2-CH2 3.77Å; F103-W211 HydrophobicContact CE2-CH2 3.77Å; F103-W211 AromaticContact CE2-CZ2 3.81Å; F103-W211 HydrophobicContact CE2-CZ2 3.81Å; F103-W211 AromaticContact CZ-CH2 3.79Å; F103-W211 HydrophobicContact CZ-CH2 3.79Å; F103-W211 HydrophobicContact CZ-CZ2 4.24Å
104F86.2Confident73.9Confident15 Ų1558.1 Ų58.17%0.06630%0.299CS..EExtended strand (participates in β ladder)trans-90.7112177.4-80.1-69.9000111.8I59 A61 F66 Y165 L167I59-F104 HydrophobicContact CD1-CE1 4.44Å; I59-F104 HydrophobicContact CD1-CZ 3.99Å; I59-F104 HydrophobicContact CG1-CE1 4.22Å; I59-F104 HydrophobicContact CG1-CZ 4.24Å; A61-F104 HydrophobicContact CB-CD1 4.05Å; A61-F104 HydrophobicContact CB-CE1 3.63Å; A61-F104 HydrophobicContact CB-CZ 4.06Å; F66-F104 AromaticContact CD1-CE2 3.65Å; F66-F104 HydrophobicContact CD1-CE2 3.65Å; F66-F104 HydrophobicContact CD1-CZ 4.3Å; F66-F104 HydrophobicContact CD2-CD2 4.21Å; F66-F104 HydrophobicContact CD2-CE2 4.07Å; F66-F104 HydrophobicContact CE1-CD2 4.33Å; F66-F104 AromaticContact CE1-CE2 3.64Å; F66-F104 HydrophobicContact CE1-CE2 3.64Å; F66-F104 HydrophobicContact CE1-CZ 4.16Å; F66-F104 HydrophobicContact CE2-CD2 4.01Å; F66-F104 HydrophobicContact CE2-CE2 4.06Å; F66-F104 HydrophobicContact CG-CD2 4.45Å; F66-F104 AromaticContact CG-CE2 3.86Å; F66-F104 HydrophobicContact CG-CE2 3.86Å; F66-F104 HydrophobicContact CZ-CD2 4.06Å; F66-F104 AromaticContact CZ-CE2 3.85Å; F66-F104 HydrophobicContact CZ-CE2 3.85Å; F104-Y165 HydrophobicContact CB-CD1 4.3Å; F104-Y165 HydrophobicContact CB-CG 4.39Å; F104-L167 HydrophobicContact CE1-CB 4.23Å; F104-L167 HydrophobicContact CE1-CD1 4.43Å; F104-L167 HydrophobicContact CZ-CD1 4.39Å
105R82.1Confident71.3Confident33 Ų3359.9 Ų59.913%0.12532%0.318CS..EExtended strand (participates in β ladder)trans-85.9129.8174.5168.8-173.5159.2175.1-3.3109.9Y165 N166 T168 W211 T215R105-Y165 CarbonylContact O-C 3.52Å; R105-Y165 VanDerWaalsContact O-CA 3.22Å; R105-Y165 WeakPolarHBondContact O-CA 3.36Å; R105-N166 PolarHBondContact N-O 3.49Å; R105-N166 PolarHBondContact O-N 2.81Å; R105-T168 VanDerWaalsContact CB-OG1 3.25Å; R105-T168 WeakPolarHBondContact CB-OG1 3.44Å; R105-W211 HydrophobicContact CG-CD2 4.19Å; R105-W211 HydrophobicContact CG-CG 4.35Å; R105-T215 PolarHBondContact NH1-OG1 2.92Å
106P75Confident68.4Low34 Ų3463 Ų6322%0.22134%0.337CS..EExtended strand (participates in β ladder)trans-69.4139.8171.829.1-33.9000111.6Y165 H197P106-Y165 HydrophobicContact CB-CD1 3.94Å; P106-Y165 HydrophobicContact CB-CE1 3.77Å; P106-Y165 HydrophobicContact CG-CE1 4.43Å; P106-H197 WeakPolarHBondContact CG-NE2 3.46Å
107V70.8Confident65.3Low26 Ų2674 Ų7416%0.15838%0.38CS..  trans-110.9127.5-177.4176.40000110.9P20 V109 V164 N166P20-V107 HydrophobicContact CB-CG1 4.31Å; P20-V107 HydrophobicContact CB-CG2 4.2Å; P20-V107 HydrophobicContact CG-CB 4.4Å; P20-V107 HydrophobicContact CG-CG1 3.54Å; P20-V107 HydrophobicContact CG-CG2 3.94Å; V107-V109 PolarHBondContact O-N 3.25Å; V107-V164 PolarHBondContact N-O 3.01Å; V107-N166 HydrophobicContact CG2-CB 3.71Å
108N62Low62Low103 Ų10376.9 Ų76.955%0.55141%0.407SS*.  trans-84.197.5170.3-106.9-26.1000109.9K110 S111N108-K110 PolarHBondContact O-N 3.27Å; N108-S111 PolarHBondContact O-N 3.22Å; N108-S111 PolarHBondContact O-OG 2.65Å
109V53.6Low58.9Low97 Ų9784.5 Ų84.559%0.58845%0.448SS*.G310 helixtrans-61-10.7-176.8-1740000113.7V107 S111 V164V107-V109 PolarHBondContact O-N 3.25Å; V109-S111 PolarHBondContact O-N 3.08Å; V109-V164 HydrophobicContact CG2-CG2 4.35Å
110K46.5Very low55.6Low180 Ų18090.6 Ų90.678%0.78349%0.485SS*.G310 helixtrans-74.4-14.1-177.7-67.6-174.1178.8-179.20115.8N108N108-K110 PolarHBondContact O-N 3.27Å
111S41.9Very low52.5Low84 Ų84102 Ų10259%0.58753%0.528SS*.G310 helixtrans-84.9-15.5-173.9530000114.9N108 V109 S113N108-S111 PolarHBondContact O-N 3.22Å; N108-S111 PolarHBondContact O-OG 2.65Å; V109-S111 PolarHBondContact O-N 3.08Å; S111-S113 VanDerWaalsContact C-N 3.34Å; S111-S113 PolarHBondContact O-N 3Å
112V41Very low49.4Very low96 Ų96110.1 Ų110.158%0.58257%0.566SS**THydrogen-bonded Turntrans-79.6-11-166.7-173.80000113.7
113S32.2Very low46.4Very low109 Ų109116.6 Ų116.676%0.76260%0.601SS**THydrogen-bonded Turntrans-99.417.8-168.257.20000116.4S111S111-S113 VanDerWaalsContact C-N 3.34Å; S111-S113 PolarHBondContact O-N 3Å
114R32.6Very low43.7Very low232 Ų232121 Ų12188%0.87563%0.628SS**SBendtrans-128.96.2-173-107.8-178.3178.2176.7-0.2118
115T27.7Very low41.2Very low124 Ų124127.3 Ų127.376%0.76166%0.658SS**SBendtrans-135.458.4-176.555.40000113.5
116T26.7Very low38.7Very low117 Ų117134.8 Ų134.872%0.71869%0.691SS**  trans-151.937.8173.3-24.40000115.2
117Y27.9Very low36.6Very low241 Ų241136 Ų13695%0.94571%0.71SS**  trans-137.278.1170-81-69.9000112.6
118S26.6Very low34.6Very low111 Ų111142.6 Ų142.678%0.77674%0.744SS**  trans-151.543.4168.563.40000111.5V120S118-V120 PolarHBondContact O-N 2.66Å
119N31.8Very low33.2Very low161 Ų161144.3 Ų144.386%0.86176%0.758SS**  trans-80.4112.7168.4-83-0.4000109.1
120V29Very low32Very low130 Ų130144.2 Ų144.279%0.78876%0.762SS**  trans-61.4135.3168.3177.50000109.3S118S118-V120 PolarHBondContact O-N 2.66Å
121R31.5Very low31.4Very low241 Ų241141.2 Ų141.291%0.90976%0.758SS**  trans-144.7103166.2-92.6-168171.9180-3.5111.1
122E29.9Very low30.9Very low170 Ų170144.3 Ų144.379%0.79477%0.768SS**  trans-69152141.4-60.3165.4153.100107.1
123D30.3Very low30.2Very low139 Ų139143 Ų14374%0.74378%0.775SS**  cis-156.1173.41.5-151-12000112.5
124T33.6Very low30.5Very low97 Ų97143.8 Ų143.860%0.59578%0.777SS**  trans70.7120.1156.4600000121.8
125H31.8Very low30.3Very low149 Ų149139.1 Ų139.169%0.6977%0.774SS**  49.4142128.6-62.7-56.6000122.2
126F30.2Very low30.1Very low190 Ų190140.5 Ų140.583%0.83378%0.776SS**  cis-153.1157-6.2-94.1-69.1000105.9
127G31.7Very low30Very low59 Ų59140.3 Ų140.361%0.60878%0.778SS**  cis167.4164.3-3.900000111.3
128N29Very low29.8Very low165 Ų165133.7 Ų133.788%0.88277%0.767SS**  trans64.8144.4172.2-58.5-17000117.1
129V32.8Very low29.8Very low139 Ų139135.6 Ų135.684%0.84277%0.769SS**  cis-132.6157.918.3178.10000112.1
130S28.1Very low29.6Very low94 Ų94136 Ų13666%0.65777%0.765SS**  trans-49.8166.9169.8-147.10000114.6
131V32.5Very low29.5Very low118 Ų118135.7 Ų135.772%0.71576%0.759SS**  cis-157.2136.745.7179.30000113.6
132N31.7Very low29.3Very low148 Ų148129.8 Ų129.879%0.79175%0.745SS**  trans34.2140.8154.2-49.9-8.3000123.9
133G26.4Very low29.3Very low70 Ų70133.1 Ų133.172%0.72275%0.75SS**  trans-115.8-149.9151.400000110.9
134P39.4Very low29.3Very low125 Ų125133 Ų13381%0.81275%0.749SS**  cis-136-147.8-7.140.7-19.7000113.1
135V26.9Very low29.3Very low134 Ų134134.4 Ų134.481%0.81275%0.753SS**  trans102.2146.6166.4-172.50000117.5
136L24.6Very low29.3Very low152 Ų152135.2 Ų135.280%0.79676%0.757SS**  trans-97.8149.1-175-65.768.5000112.8
137C23.6Very low29.3Very low114 Ų114130.7 Ų130.777%0.7775%0.749SS**  163.7144.6106.4-96.10000115.4
138S25Very low29.5Very low101 Ų101133.5 Ų133.571%0.70676%0.755SS**  trans61117.1149-60.40000123.5
139D27Very low29.5Very low152 Ų152133.8 Ų133.881%0.81375%0.751SS**  28.3131.9128.5-41.6-44.7000120.1
140E26.7Very low29.4Very low169 Ų169132.6 Ų132.679%0.7974%0.74SS**  -166.1149.861.5-91.6-156134.400116.3
141L26.9Very low29.6Very low124 Ų124136.2 Ų136.265%0.64974%0.744SS**  trans48.2132136.8-64.7175.6000126.9
142N28.2Very low29.7Very low117 Ų117136.2 Ų136.263%0.62675%0.748SS**  trans80.4114.2131.8-74.2-24.6000123.7
143R29.9Very low29.5Very low239 Ų239137.5 Ų137.590%0.90276%0.755SS**  171.7164.5106.3-89.5169.6-169.9-152.12.1110.3
144L29.7Very low29.9Very low136 Ų136139.8 Ų139.871%0.71276%0.76SS**  cis173.9169.7-46.3-113171.3000107.9
145N33Very low29.4Very low128 Ų128140.1 Ų140.168%0.68477%0.765SS**  trans80.3140.9179.8-55.540.9000115
146E32.7Very low29.6Very low165 Ų165137 Ų13777%0.77176%0.76SS**  cis-166.2166.6-10.8-110.2173.4108.200106.4
147S30Very low29.9Very low95 Ų95139.4 Ų139.466%0.66476%0.764SS**  cis-159.1-172.3-1.842.90000106.9
148T34.8Very low30.3Very low119 Ų119141.5 Ų141.573%0.7377%0.766SS**  cis-148.3-85.615.8-39.40000113.9
149Q30.8Very low30.7Very low171 Ų171145.6 Ų145.680%0.79977%0.771SS**  trans-152164.8-167.3-70.1164.2-15.100108.5
150D30.8Very low31Very low114 Ų114146.4 Ų146.461%0.6178%0.776SS**  cis-158.8163.923.8-155.85.3000114.8
151K32.2Very low31.8Very low170 Ų170142.2 Ų142.274%0.73977%0.77SS**  trans46.6109.6159.6-73.3157.8-174.2125.40121.8
152S33.2Very low32.8Very low117 Ų117143.5 Ų143.582%0.81878%0.778SS**  164.2156.7104.753.30000113.1
153L28.9Very low34.4Very low176 Ų176141.2 Ų141.292%0.92177%0.771SS**  trans-97.8127.7-176.3-63.793.3000112.8
154S33.5Very low36.4Very low118 Ų118131.6 Ų131.683%0.82574%0.738SS**  trans-162.480153.547.90000112.8G156S154-G156 PolarHBondContact O-N 2.89Å
155S30.1Very low38.9Very low132 Ų132127.7 Ų127.792%0.92372%0.715SS**  trans-79.3100.6173.354.20000111.4
156G29.9Very low41.3Very low68 Ų68121.8 Ų121.870%0.70168%0.683SS**  trans17455.2179.200000118.1S154S154-G156 PolarHBondContact O-N 2.89Å
157K32Very low44.1Very low203 Ų203114.5 Ų114.588%0.88365%0.649SS**  trans-163.9104.6166.1-112.5160.7-172.7172.80112.7
158L30.4Very low47Very low157 Ų157110 Ų11082%0.82262%0.618SS**  trans-159.6145.1158.2-142.674.2000111.8
159K33.5Very low49.8Very low188 Ų188104.3 Ų104.382%0.81758%0.583SS**  trans67.160.5169-57.1178.6-179.3172.20117.8A161K159-A161 PolarHBondContact O-N 3.23Å
160N33Very low52.9Low168 Ų16896.3 Ų96.390%0.89855%0.546SS*.  trans-72115.6140.7-105.38.7000107.9
161A43.8Very low56.1Low82 Ų8290.9 Ų90.968%0.67852%0.517SS*.  trans-93.1118.2170.600000108.9K159 S163K159-A161 PolarHBondContact O-N 3.23Å; A161-S163 PolarHBondContact O-N 3.17Å; A161-S163 PolarHBondContact O-OG 2.82Å
162N49.3Very low59.2Low151 Ų15182.8 Ų82.881%0.80748%0.481SS*.  trans-59.5105.3176.6-74.8-3.7000109.7V164N162-V164 PolarHBondContact O-N 3.09Å
163S60.9Low62.2Low69 Ų6977.2 Ų77.248%0.48344%0.442SS..  trans-80.3103.3179.3-670000108.9A161 Y165A161-S163 PolarHBondContact O-N 3.17Å; A161-S163 PolarHBondContact O-OG 2.82Å; S163-Y165 VanDerWaalsContact O-CD2 3.28Å; S163-Y165 WeakPolarHBondContact O-CD2 3.23Å; S163-Y165 VanDerWaalsContact O-CE2 3.3Å; S163-Y165 WeakPolarHBondContact O-CE2 3.14Å
164V72.6Confident65.4Low36 Ų3668.8 Ų68.822%0.21840%0.398CS..  trans-75.9135172.7-177.70000108.6N60 V107 V109 N162N60-V164 HydrophobicContact CB-CG1 4.21Å; V107-V164 PolarHBondContact N-O 3.01Å; V109-V164 HydrophobicContact CG2-CG2 4.35Å; N162-V164 PolarHBondContact O-N 3.09Å
165Y81.1Confident68.2Low54 Ų5465.1 Ų65.121%0.21237%0.368CS..EExtended strand (participates in β ladder)trans-111.9144.7172-60.9-97.6000110.1N60 A61 F104 R105 P106 S163N60-Y165 CarbonylContact C-O 3.49Å; N60-Y165 VanDerWaalsContact CA-O 3.24Å; N60-Y165 WeakPolarHBondContact CA-O 3.33Å; A61-Y165 PolarHBondContact N-O 2.93Å; A61-Y165 PolarHBondContact O-N 3.21Å; F104-Y165 HydrophobicContact CB-CD1 4.3Å; F104-Y165 HydrophobicContact CB-CG 4.39Å; R105-Y165 CarbonylContact O-C 3.52Å; R105-Y165 VanDerWaalsContact O-CA 3.22Å; R105-Y165 WeakPolarHBondContact O-CA 3.36Å; P106-Y165 HydrophobicContact CB-CD1 3.94Å; P106-Y165 HydrophobicContact CB-CE1 3.77Å; P106-Y165 HydrophobicContact CG-CE1 4.43Å; S163-Y165 VanDerWaalsContact O-CD2 3.28Å; S163-Y165 WeakPolarHBondContact O-CD2 3.23Å; S163-Y165 VanDerWaalsContact O-CE2 3.3Å; S163-Y165 WeakPolarHBondContact O-CE2 3.14Å
166N84.8Confident71.2Confident5 Ų559.7 Ų59.73%0.02733%0.327CS..EExtended strand (participates in β ladder)trans-117.5141.9175.5-174.610.2000109.9S17 P20 N60 R105 V107 T168S17-N166 PolarHBondContact O-ND2 3.32Å; P20-N166 HydrophobicContact CB-CB 4.31Å; N60-N166 WeakPolarHBondContact OD1-CA 3.34Å; N60-N166 WeakPolarHBondContact OD1-CB 3.48Å; N60-N166 VanDerWaalsContact OD1-CG 3.23Å; N60-N166 PolarHBondContact OD1-OD1 2.82Å; R105-N166 PolarHBondContact N-O 3.49Å; R105-N166 PolarHBondContact O-N 2.81Å; V107-N166 HydrophobicContact CG2-CB 3.71Å; N166-T168 PolarHBondContact O-N 2.83Å; N166-T168 PolarHBondContact O-OG1 2.95Å
167L90Very high74.1Confident11 Ų1157.9 Ų57.96%0.05830%0.303CS..EExtended strand (participates in β ladder)trans-65.4120.8174.8-172.561.7000110.7Q54 I59 F66 N102 F104Q54-L167 HydrophobicContact CB-CD2 4.37Å; Q54-L167 HydrophobicContact CG-CD2 4.13Å; Q54-L167 HydrophobicContact CG-CG 4.39Å; Q54-L167 PolarHBondContact NE2-O 2.88Å; I59-L167 HydrophobicContact CG1-CB 4.07Å; I59-L167 HydrophobicContact CG1-CD2 4.06Å; I59-L167 PolarHBondContact O-N 2.86Å; F66-L167 HydrophobicContact CE1-CD1 3.63Å; F66-L167 HydrophobicContact CZ-CD1 3.6Å; N102-L167 HydrophobicContact CB-CD1 4.18Å; F104-L167 HydrophobicContact CE1-CB 4.23Å; F104-L167 HydrophobicContact CE1-CD1 4.43Å; F104-L167 HydrophobicContact CZ-CD1 4.39Å
168T91.5Very high77.1Confident1 Ų148.6 Ų48.61%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-128.1148.1178.5-54.40000109.3V15 L32 F103 R105 N166 W211V15-T168 CarbonylContact O-C 3.57Å; V15-T168 WeakPolarHBondContact O-CA 3.48Å; L32-T168 HydrophobicContact CD1-CG2 4.43Å; F103-T168 WeakPolarHBondContact CD1-O 3.4Å; F103-T168 HydrophobicContact CE2-CG2 3.83Å; F103-T168 HydrophobicContact CZ-CG2 3.67Å; F103-T168 PolarHBondContact N-O 2.92Å; F103-T168 PolarHBondContact O-N 3.04Å; R105-T168 VanDerWaalsContact CB-OG1 3.25Å; R105-T168 WeakPolarHBondContact CB-OG1 3.44Å; N166-T168 PolarHBondContact O-N 2.83Å; N166-T168 PolarHBondContact O-OG1 2.95Å; T168-W211 HydrophobicContact CG2-CH2 4.07Å; T168-W211 HydrophobicContact CG2-CZ3 4.07Å
169S94.6Very high80Confident0 Ų041.2 Ų41.20%023%0.225CC..EExtended strand (participates in β ladder)trans-128.6144.7-177.5-50.20000111.5L14 V15 C53 Q54 T101 N102L14-S169 WeakPolarHBondContact CA-O 3.43Å; V15-S169 PolarHBondContact N-O 3Å; V15-S169 PolarHBondContact O-N 3.11Å; C53-S169 PolarHBondContact O-OG 2.96Å; Q54-S169 WeakPolarHBondContact CG-OG 3.27Å; Q54-S169 PolarHBondContact NE2-OG 2.91Å; T101-S169 WeakPolarHBondContact O-CA 3.5Å; N102-S169 WeakPolarHBondContact OD1-CB 3.35Å; N102-S169 PolarHBondContact OD1-OG 2.89Å
170I95.5Very high82.8Confident2 Ų232.9 Ų32.91%0.0119%0.19CC..EExtended strand (participates in β ladder)trans-110.4127.5160.7-61.3148.8000106.7F12 L14 C100 T101 F103 V186 V189 Y190 L193F12-I170 HydrophobicContact CD1-CG2 4.28Å; F12-I170 HydrophobicContact CE1-CG2 4.39Å; L14-I170 HydrophobicContact CD2-CB 4.15Å; L14-I170 HydrophobicContact CD2-CG1 3.47Å; L14-I170 VanDerWaalsContact CD2-CG1 3.47Å; L14-I170 HydrophobicContact CD2-CG2 4.31Å; C100-I170 WeakPolarHBondContact CA-O 3.48Å; T101-I170 PolarHBondContact N-O 2.68Å; T101-I170 PolarHBondContact O-N 2.88Å; F103-I170 HydrophobicContact CE1-CD1 3.61Å; F103-I170 HydrophobicContact CE1-CG1 3.77Å; F103-I170 HydrophobicContact CZ-CD1 3.97Å; F103-I170 HydrophobicContact CZ-CG1 4.07Å; I170-V186 HydrophobicContact CB-CG1 4.27Å; I170-V186 HydrophobicContact CG2-CG1 3.99Å; I170-V189 HydrophobicContact CG2-CG1 4.28Å; I170-Y190 HydrophobicContact CD1-CD2 3.97Å; I170-Y190 HydrophobicContact CD1-CG 4.19Å; I170-L193 HydrophobicContact CD1-CD2 4.22Å
171C97.7Very high85.6Confident0 Ų025.9 Ų25.90%015%0.153CC..EExtended strand (participates in β ladder)trans-128.1142.2177.2-170.50000112.3F12 V13 C53 I99 C100F12-C171 CarbonylContact C-O 3.59Å; F12-C171 WeakPolarHBondContact CA-O 3.44Å; V13-C171 PolarHBondContact N-O 3.27Å; V13-C171 PolarHBondContact O-N 3.16Å; C53-C171 WeakPolarHBondContact SG-CB 3.28Å; I99-C171 CarbonylContact O-C 3.53Å; I99-C171 VanDerWaalsContact O-CA 3.27Å; I99-C171 WeakPolarHBondContact O-CA 3.25Å; I99-C171 PolarHBondContact O-SG 3.32Å; I99-C171 VanDerWaalsContact O-SG 3.34Å; C100-C171 HydrophobicContact CB-CB 4.28Å
172L97.3Very high88.1Confident0 Ų022 Ų220%012%0.121CC..EExtended strand (participates in β ladder)trans-111129.9171.8178.2161.1000108.4I9 F12 G98 I99 T174 F182 L185 V186I9-L172 HydrophobicContact CD1-CD1 3.9Å; I9-L172 HydrophobicContact CG1-CD1 4.24Å; I9-L172 HydrophobicContact CG2-CD1 4.25Å; I9-L172 HydrophobicContact CG2-CD2 4.17Å; I9-L172 HydrophobicContact CG2-CG 3.79Å; F12-L172 HydrophobicContact CD1-CB 4.34Å; F12-L172 HydrophobicContact CE1-CB 4.04Å; F12-L172 HydrophobicContact CE1-CD1 4.27Å; F12-L172 HydrophobicContact CE1-CG 4.5Å; F12-L172 HydrophobicContact CE2-CD1 4.12Å; F12-L172 HydrophobicContact CZ-CB 4.33Å; F12-L172 HydrophobicContact CZ-CD1 3.74Å; F12-L172 HydrophobicContact CZ-CG 4.3Å; G98-L172 CarbonylContact C-O 3.46Å; G98-L172 WeakPolarHBondContact CA-O 3.3Å; I99-L172 HydrophobicContact CD1-CD2 4.33Å; I99-L172 PolarHBondContact N-O 2.8Å; I99-L172 PolarHBondContact O-N 2.85Å; L172-T174 HydrophobicContact CD2-CG2 3.7Å; L172-F182 HydrophobicContact CD1-CB 4.24Å; L172-F182 HydrophobicContact CD1-CD1 3.59Å; L172-F182 HydrophobicContact CD1-CE1 4.23Å; L172-F182 HydrophobicContact CD1-CG 4.12Å; L172-F182 HydrophobicContact CD2-CB 4.3Å; L172-F182 HydrophobicContact CD2-CD1 4Å; L172-F182 HydrophobicContact CD2-CD2 4.28Å; L172-F182 HydrophobicContact CD2-CE1 4.38Å; L172-F182 HydrophobicContact CD2-CG 3.95Å; L172-L185 HydrophobicContact CD1-CD2 3.84Å; L172-L185 HydrophobicContact CD1-CG 4.46Å; L172-V186 HydrophobicContact CB-CG2 3.57Å; L172-V186 HydrophobicContact CD1-CG2 4.12Å
173I97Very high90.1Very high0 Ų014.9 Ų14.90%08%0.083CC..EExtended strand (participates in β ladder)trans-111133174.4-49.6-61.1000109.7D10 Y11 F43 L45 V49 F85 L87 R96 Y97D10-I173 PolarHBondContact N-O 2.83Å; Y11-I173 PolarHBondContact N-O 3.49Å; Y11-I173 PolarHBondContact O-N 3.3Å; F43-I173 HydrophobicContact CE1-CG2 3.91Å; F43-I173 HydrophobicContact CZ-CG2 4.46Å; L45-I173 HydrophobicContact CD1-CG1 4.34Å; V49-I173 HydrophobicContact CG1-CD1 3.97Å; F85-I173 HydrophobicContact CE2-CD1 4.34Å; F85-I173 HydrophobicContact CZ-CD1 4.06Å; L87-I173 HydrophobicContact CD1-CD1 4.5Å; R96-I173 HydrophobicContact CB-CG2 4.16Å; Y97-I173 WeakPolarHBondContact O-CA 3.47Å
174T95.4Very high91.5Very high0 Ų016.7 Ų16.70%08%0.079CC..EExtended strand (participates in β ladder)trans-151.4159.2-175.8-179.30000112.5L8 R96 Y97 I99 L172 Y176 F182L8-T174 PolarHBondContact O-OG1 2.99Å; R96-T174 CarbonylContact C-O 3.6Å; R96-T174 VanDerWaalsContact CA-O 3.29Å; R96-T174 WeakPolarHBondContact CA-O 3.17Å; R96-T174 WeakPolarHBondContact CB-O 3.04Å; Y97-T174 PolarHBondContact N-O 2.91Å; Y97-T174 PolarHBondContact O-N 2.89Å; I99-T174 HydrophobicContact CD1-CG2 4.21Å; L172-T174 HydrophobicContact CD2-CG2 3.7Å; T174-Y176 VanDerWaalsContact C-N 3.33Å; T174-Y176 WeakPolarHBondContact CG2-O 3.32Å; T174-Y176 PolarHBondContact OG1-N 3.45Å; T174-F182 HydrophobicContact CG2-CD2 3.82Å; T174-F182 HydrophobicContact CG2-CE2 3.56Å; T174-F182 HydrophobicContact CG2-CZ 4.26Å
175H92Very high92.5Very high40 Ų4015 Ų1519%0.1857%0.069CC..SBendtrans-74.5-20.6165.5-68.870.3000113.2C5 R7 D10 D42 R96C5-H175 HydrophobicContact CB-CB 4.47Å; C5-H175 PolarHBondContact SG-NE2 2.82Å; R7-H175 PolarHBondContact NH2-NE2 2.9Å; D10-H175 IonicContact OD1-CE1 2.77Å; D10-H175 PolarHBondContact OD1-CE1 3.32Å; D10-H175 IonicContact OD1-ND1 3.4Å; D10-H175 PolarHBondContact OD1-ND1 3.2Å; D10-H175 IonicContact OD1-NE2 3.54Å; D10-H175 PolarHBondContact OD1-NE2 3.24Å; D10-H175 CovalentContact OD2-CE1 1.84Å; D10-H175 IonicContact OD2-CE1 3.6Å; D10-H175 PolarHBondContact OD2-CE1 3.34Å; D10-H175 IonicContact OD2-CG 2.83Å; D10-H175 PolarHBondContact OD2-N 3.32Å; D10-H175 IonicContact OD2-ND1 3.43Å; D10-H175 PolarHBondContact OD2-ND1 3.2Å; D10-H175 IonicContact OD2-NE2 3.42Å; D10-H175 PolarHBondContact OD2-NE2 3.48Å; D42-H175 IonicContact OD2-NE2 2.72Å; R96-H175 PolarHBondContact NE-CD2 3.28Å; R96-H175 PolarHBondContact NE-ND1 2.9Å
176Y93.3Very high93.1Very high18 Ų1812.4 Ų12.47%0.0716%0.059CC..SBendtrans-102.1139.1-160.3-67.9-75000114.5I4 C5 R7 L8 T174 F178 A245 L270I4-Y176 WeakPolarHBondContact CG2-OH 3.35Å; C5-Y176 PolarHBondContact O-OH 3.17Å; R7-Y176 WeakPolarHBondContact O-CE2 3.39Å; L8-Y176 HydrophobicContact CD1-CD2 4.29Å; T174-Y176 VanDerWaalsContact C-N 3.33Å; T174-Y176 WeakPolarHBondContact CG2-O 3.32Å; T174-Y176 PolarHBondContact OG1-N 3.45Å; Y176-F178 HydrophobicContact CD1-CE2 4.35Å; Y176-F178 HydrophobicContact CG-CD2 4.46Å; Y176-F178 HydrophobicContact CG-CE2 4.22Å; Y176-F178 PolarHBondContact O-N 3.49Å; Y176-A245 HydrophobicContact CD2-CB 4.41Å; Y176-A245 HydrophobicContact CE2-CB 3.48Å; Y176-A245 VanDerWaalsContact CE2-CB 3.48Å; Y176-A245 WeakPolarHBondContact OH-CB 3.26Å; Y176-L270 HydrophobicContact CD1-CD1 3.74Å; Y176-L270 HydrophobicContact CE1-CD1 3.57Å
177P91.6Very high93.3Very high30 Ų3014.6 Ų14.620%0.1957%0.069CC..  trans-82.226.4-170.635.6-38.6000114.7Y97 A179 D280Y97-P177 HydrophobicContact CD2-CB 4.48Å; Y97-P177 HydrophobicContact CE2-CB 3.88Å; P177-A179 PolarHBondContact O-N 3.2Å; P177-D280 WeakPolarHBondContact O-CB 3.44Å
178F94.1Very high93.2Very high8 Ų814.7 Ų14.74%0.0357%0.07CC..  trans-78.363.2-179.3-59.1-75.6000112.5L8 Y176 T180 T181 F182 P246 F268 A269 L270 L278 D280L8-F178 HydrophobicContact CD1-CE2 4.34Å; Y176-F178 HydrophobicContact CD1-CE2 4.35Å; Y176-F178 HydrophobicContact CG-CD2 4.46Å; Y176-F178 HydrophobicContact CG-CE2 4.22Å; Y176-F178 PolarHBondContact O-N 3.49Å; F178-T180 PolarHBondContact O-N 2.99Å; F178-T181 PolarHBondContact O-N 2.82Å; F178-F182 HydrophobicContact CB-CD2 3.7Å; F178-F182 HydrophobicContact CB-CE2 3.71Å; F178-F182 HydrophobicContact CB-CG 4.44Å; F178-F182 HydrophobicContact CB-CZ 4.46Å; F178-F182 AromaticContact CD2-CE2 3.86Å; F178-F182 HydrophobicContact CD2-CE2 3.86Å; F178-F182 HydrophobicContact CD2-CZ 4.16Å; F178-F182 HydrophobicContact CG-CE2 4.28Å; F178-F182 WeakPolarHBondContact O-CB 3.5Å; F178-F182 WeakPolarHBondContact O-CD2 3.49Å; F178-F182 PolarHBondContact O-N 2.85Å; F178-P246 HydrophobicContact CE2-CG 4.22Å; F178-P246 HydrophobicContact CZ-CG 4.02Å; F178-F268 HydrophobicContact CB-CD1 4.25Å; F178-F268 HydrophobicContact CB-CE1 4.26Å; F178-F268 HydrophobicContact CD1-CD1 4.22Å; F178-F268 AromaticContact CD2-CD1 3.6Å; F178-F268 HydrophobicContact CD2-CD1 3.6Å; F178-F268 HydrophobicContact CD2-CE1 4.27Å; F178-F268 HydrophobicContact CE1-CD1 4.46Å; F178-F268 HydrophobicContact CE2-CB 4.15Å; F178-F268 AromaticContact CE2-CD1 3.89Å; F178-F268 HydrophobicContact CE2-CD1 3.89Å; F178-F268 AromaticContact CG-CD1 3.8Å; F178-F268 HydrophobicContact CG-CD1 3.8Å; F178-F268 HydrophobicContact CG-CE1 4.31Å; F178-F268 HydrophobicContact CZ-CB 4.04Å; F178-F268 HydrophobicContact CZ-CD1 4.3Å; F178-A269 WeakPolarHBondContact CE1-O 3.49Å; F178-A269 WeakPolarHBondContact CZ-O 3.37Å; F178-L270 HydrophobicContact CE1-CD2 4.27Å; F178-L270 HydrophobicContact CE2-CD2 4.15Å; F178-L270 HydrophobicContact CE2-CG 4.45Å; F178-L270 HydrophobicContact CZ-CD2 3.65Å; F178-L270 HydrophobicContact CZ-CG 3.89Å; F178-L278 HydrophobicContact CD1-CD2 3.65Å; F178-L278 HydrophobicContact CE1-CD2 3.38Å; F178-L278 HydrophobicContact CZ-CD2 4.13Å; F178-D280 WeakPolarHBondContact CA-OD2 3.32Å
179A92Very high93.1Very high3 Ų314.8 Ų14.83%0.0257%0.071CC..Hα-helixtrans-59.1-46.9-172.700000114.1L84 P177 A183 D280 F281L84-A179 HydrophobicContact CD1-CB 3.62Å; P177-A179 PolarHBondContact O-N 3.2Å; A179-A183 WeakPolarHBondContact O-CB 3.22Å; A179-A183 PolarHBondContact O-N 3.24Å; A179-D280 PolarHBondContact N-OD2 3Å; A179-F281 HydrophobicContact CB-CD1 4.27Å
180T91.3Very high92.9Very high12 Ų1215.8 Ų15.87%0.0748%0.075CC..Hα-helixtrans-70.1-39.8177.876.90000111.3F178 A183 R184 D280 F657F178-T180 PolarHBondContact O-N 2.99Å; T180-A183 PolarHBondContact O-N 2.98Å; T180-R184 WeakPolarHBondContact O-CG 3.35Å; T180-R184 PolarHBondContact O-N 3.31Å; T180-D280 WeakPolarHBondContact CB-OD1 3.29Å; T180-D280 WeakPolarHBondContact CG2-O 3.47Å; T180-D280 WeakPolarHBondContact CG2-OD1 3.46Å; T180-D280 PolarHBondContact N-OD2 2.93Å; T180-D280 VanDerWaalsContact OG1-CG 3.22Å; T180-D280 PolarHBondContact OG1-OD1 3.46Å; T180-D280 PolarHBondContact OG1-OD2 3.28Å; T180-D280 VanDerWaalsContact OG1-OD2 3.11Å; T180-F657 HydrophobicContact CG2-CD1 3.79Å; T180-F657 HydrophobicContact CG2-CE1 4.37Å
181T92.3Very high92.5Very high22 Ų2216.7 Ų16.714%0.1358%0.083CC..Hα-helixtrans-73.1-40.7-173.2-49.90000111F178 R184 L185 L266 F268 D280F178-T181 PolarHBondContact O-N 2.82Å; T181-R184 PolarHBondContact O-N 3.24Å; T181-L185 PolarHBondContact O-N 3.46Å; T181-L266 HydrophobicContact CG2-CB 3.99Å; T181-L266 HydrophobicContact CG2-CD1 4.33Å; T181-L266 HydrophobicContact CG2-CD2 4.36Å; T181-L266 HydrophobicContact CG2-CG 4.45Å; T181-F268 HydrophobicContact CG2-CD1 4.13Å; T181-F268 HydrophobicContact CG2-CE1 3.52Å; T181-F268 HydrophobicContact CG2-CE2 4.3Å; T181-F268 HydrophobicContact CG2-CZ 3.62Å; T181-D280 PolarHBondContact N-OD2 2.87Å; T181-D280 VanDerWaalsContact N-OD2 3.16Å; T181-D280 PolarHBondContact OG1-OD2 3.44Å
182F95.6Very high92Very high0 Ų016.7 Ų16.70%08%0.083CC..Hα-helixtrans-70.9-31.1171.1-69.2-49.7000112.7L8 I9 I99 L172 T174 F178 L185 V186 F268L8-F182 HydrophobicContact CD1-CE1 4.47Å; L8-F182 HydrophobicContact CD1-CZ 3.9Å; L8-F182 HydrophobicContact CG-CE1 4.24Å; L8-F182 HydrophobicContact CG-CZ 4.07Å; I9-F182 HydrophobicContact CD1-CE1 4.31Å; I9-F182 HydrophobicContact CG1-CE1 3.92Å; I9-F182 HydrophobicContact CG1-CZ 4.47Å; I99-F182 HydrophobicContact CB-CB 4.42Å; I99-F182 HydrophobicContact CD1-CB 4Å; I99-F182 HydrophobicContact CD1-CD2 4.25Å; I99-F182 HydrophobicContact CG1-CB 3.97Å; L172-F182 HydrophobicContact CD1-CB 4.24Å; L172-F182 HydrophobicContact CD1-CD1 3.59Å; L172-F182 HydrophobicContact CD1-CE1 4.23Å; L172-F182 HydrophobicContact CD1-CG 4.12Å; L172-F182 HydrophobicContact CD2-CB 4.3Å; L172-F182 HydrophobicContact CD2-CD1 4Å; L172-F182 HydrophobicContact CD2-CD2 4.28Å; L172-F182 HydrophobicContact CD2-CE1 4.38Å; L172-F182 HydrophobicContact CD2-CG 3.95Å; T174-F182 HydrophobicContact CG2-CD2 3.82Å; T174-F182 HydrophobicContact CG2-CE2 3.56Å; T174-F182 HydrophobicContact CG2-CZ 4.26Å; F178-F182 HydrophobicContact CB-CD2 3.7Å; F178-F182 HydrophobicContact CB-CE2 3.71Å; F178-F182 HydrophobicContact CB-CG 4.44Å; F178-F182 HydrophobicContact CB-CZ 4.46Å; F178-F182 AromaticContact CD2-CE2 3.86Å; F178-F182 HydrophobicContact CD2-CE2 3.86Å; F178-F182 HydrophobicContact CD2-CZ 4.16Å; F178-F182 HydrophobicContact CG-CE2 4.28Å; F178-F182 WeakPolarHBondContact O-CB 3.5Å; F178-F182 WeakPolarHBondContact O-CD2 3.49Å; F178-F182 PolarHBondContact O-N 2.85Å; F182-L185 HydrophobicContact CD1-CD2 4.14Å; F182-L185 PolarHBondContact O-N 2.85Å; F182-V186 WeakPolarHBondContact O-CG2 3.32Å; F182-V186 PolarHBondContact O-N 3.18Å; F182-F268 AromaticContact CD1-CE1 3.88Å; F182-F268 HydrophobicContact CD1-CE1 3.88Å; F182-F268 HydrophobicContact CD1-CZ 4.19Å; F182-F268 HydrophobicContact CE1-CD1 4.38Å; F182-F268 AromaticContact CE1-CE1 3.46Å; F182-F268 HydrophobicContact CE1-CE1 3.46Å; F182-F268 VanDerWaalsContact CE1-CE1 3.46Å; F182-F268 AromaticContact CE1-CZ 3.87Å; F182-F268 HydrophobicContact CE1-CZ 3.87Å; F182-F268 HydrophobicContact CE2-CE1 4.44Å; F182-F268 HydrophobicContact CZ-CD1 4.32Å; F182-F268 AromaticContact CZ-CE1 3.79Å; F182-F268 HydrophobicContact CZ-CE1 3.79Å
183A92.5Very high91.6Very high2 Ų216.8 Ų16.82%0.0178%0.083CC..Hα-helixtrans-62.3-42.7171.200000111.7T82 I99 A179 T180 L185 Q187 F657T82-A183 HydrophobicContact CG2-CB 4.13Å; I99-A183 HydrophobicContact CG2-CB 4.25Å; A179-A183 WeakPolarHBondContact O-CB 3.22Å; A179-A183 PolarHBondContact O-N 3.24Å; T180-A183 PolarHBondContact O-N 2.98Å; A183-L185 PolarHBondContact O-N 3.23Å; A183-Q187 WeakPolarHBondContact O-CB 3.25Å; A183-Q187 VanDerWaalsContact O-CG 3.3Å; A183-Q187 WeakPolarHBondContact O-CG 3.36Å; A183-Q187 PolarHBondContact O-N 2.85Å; A183-F657 HydrophobicContact CB-CE1 4.43Å; A183-F657 HydrophobicContact CB-CZ 4.39Å
184R90.2Very high91Very high106 Ų10621.5 Ų21.540%0.410%0.104SC..Hα-helixtrans-58.9-44.7171.3-70.9172.168.9161.91.5111.6T180 T181 Q187 C188 S661T180-R184 WeakPolarHBondContact O-CG 3.35Å; T180-R184 PolarHBondContact O-N 3.31Å; T181-R184 PolarHBondContact O-N 3.24Å; R184-Q187 PolarHBondContact O-N 3.42Å; R184-C188 PolarHBondContact O-N 3.42Å; R184-S661 PolarHBondContact NH1-OG 3.25Å
185L92.9Very high90.5Very high0 Ų023.5 Ų23.50%011%0.112CC..Hα-helixtrans-62.1-49.7178.3-179.258.1000112.6I9 F12 L172 T181 F182 A183 Q187 C188 V189 L240 L255 V257 L266I9-L185 HydrophobicContact CD1-CD2 3.76Å; F12-L185 HydrophobicContact CZ-CD2 4.43Å; F12-L185 HydrophobicContact CZ-CG 4.42Å; L172-L185 HydrophobicContact CD1-CD2 3.84Å; L172-L185 HydrophobicContact CD1-CG 4.46Å; T181-L185 PolarHBondContact O-N 3.46Å; F182-L185 HydrophobicContact CD1-CD2 4.14Å; F182-L185 PolarHBondContact O-N 2.85Å; A183-L185 PolarHBondContact O-N 3.23Å; L185-Q187 VanDerWaalsContact C-N 3.31Å; L185-Q187 PolarHBondContact O-N 2.78Å; L185-C188 WeakPolarHBondContact O-CB 3.36Å; L185-C188 PolarHBondContact O-N 3.46Å; L185-C188 VanDerWaalsContact O-N 3.16Å; L185-V189 WeakPolarHBondContact O-CG2 3.49Å; L185-V189 PolarHBondContact O-N 3.12Å; L185-L240 HydrophobicContact CD1-CD2 4.3Å; L185-L255 HydrophobicContact CD2-CD2 4.46Å; L185-V257 HydrophobicContact CD1-CB 4.48Å; L185-V257 HydrophobicContact CD1-CG1 3.4Å; L185-V257 HydrophobicContact CD1-CG2 4.24Å; L185-L266 HydrophobicContact CB-CD1 3.98Å; L185-L266 HydrophobicContact CD1-CD1 4.31Å
186V93.5Very high90.2Very high0 Ų021.9 Ų21.90%011%0.105CC..Hα-helixtrans-63.7-37.5179.1176.80000111.2F12 I99 T101 I170 L172 F182 V189 Y190F12-V186 HydrophobicContact CE1-CG2 4.3Å; I99-V186 HydrophobicContact CG2-CG2 4.13Å; T101-V186 WeakPolarHBondContact OG1-CG1 3.43Å; I170-V186 HydrophobicContact CB-CG1 4.27Å; I170-V186 HydrophobicContact CG2-CG1 3.99Å; L172-V186 HydrophobicContact CB-CG2 3.57Å; L172-V186 HydrophobicContact CD1-CG2 4.12Å; F182-V186 WeakPolarHBondContact O-CG2 3.32Å; F182-V186 PolarHBondContact O-N 3.18Å; V186-V189 PolarHBondContact O-N 3.29Å; V186-Y190 WeakPolarHBondContact O-CB 3.47Å; V186-Y190 PolarHBondContact O-N 3.11Å
187Q88.7Confident89.7Confident52 Ų5222 Ų2224%0.24311%0.106CC..Hα-helixtrans-66.7-35.3174.3-72.9-177.139.100112.8T82 A183 R184 L185 Y190 A191T82-Q187 PolarHBondContact OG1-NE2 3.24Å; A183-Q187 WeakPolarHBondContact O-CB 3.25Å; A183-Q187 VanDerWaalsContact O-CG 3.3Å; A183-Q187 WeakPolarHBondContact O-CG 3.36Å; A183-Q187 PolarHBondContact O-N 2.85Å; R184-Q187 PolarHBondContact O-N 3.42Å; L185-Q187 VanDerWaalsContact C-N 3.31Å; L185-Q187 PolarHBondContact O-N 2.78Å; Q187-Y190 PolarHBondContact O-N 3.34Å; Q187-A191 WeakPolarHBondContact O-CB 3.22Å; Q187-A191 PolarHBondContact O-N 3.08Å
188C87.9Confident89.3Confident12 Ų1227.4 Ų27.48%0.08113%0.126CC..Hα-helixtrans-62.8-49.3172.1-175.70000111.3R184 L185 Y190 A191 V192R184-C188 PolarHBondContact O-N 3.42Å; L185-C188 WeakPolarHBondContact O-CB 3.36Å; L185-C188 PolarHBondContact O-N 3.46Å; L185-C188 VanDerWaalsContact O-N 3.16Å; C188-Y190 VanDerWaalsContact C-N 3.31Å; C188-Y190 PolarHBondContact O-N 3.49Å; C188-A191 PolarHBondContact O-N 2.84Å; C188-A191 VanDerWaalsContact O-N 3.11Å; C188-V192 WeakPolarHBondContact O-CG2 3.45Å; C188-V192 PolarHBondContact O-N 2.64Å
189V90.9Very high88.6Confident3 Ų328.1 Ų28.12%0.01813%0.13CC..Hα-helixtrans-56.8-43.9175.6173.80000111.4F12 I170 L185 V186 L193 F233 W236 I237F12-V189 HydrophobicContact CE1-CG2 4.19Å; F12-V189 HydrophobicContact CZ-CG2 4.07Å; I170-V189 HydrophobicContact CG2-CG1 4.28Å; L185-V189 WeakPolarHBondContact O-CG2 3.49Å; L185-V189 PolarHBondContact O-N 3.12Å; V186-V189 PolarHBondContact O-N 3.29Å; V189-L193 WeakPolarHBondContact O-CB 3.35Å; V189-L193 PolarHBondContact O-N 3.48Å; V189-F233 HydrophobicContact CG1-CE2 4.35Å; V189-F233 HydrophobicContact CG1-CZ 3.93Å; V189-W236 HydrophobicContact CG2-CH2 3.93Å; V189-W236 HydrophobicContact CG2-CZ3 3.89Å; V189-I237 HydrophobicContact CG1-CD1 3.89Å; V189-I237 HydrophobicContact CG2-CD1 4.02Å
190Y90.2Very high87.9Confident22 Ų2228.2 Ų28.29%0.08613%0.131CC..Hα-helixtrans-61.7-44.3174.4171.6-132.2000112.7K79 T101 F103 I170 V186 Q187 C188 L193 K194K79-Y190 PolarHBondContact O-OH 3.2Å; T101-Y190 HydrophobicContact CG2-CD1 4.05Å; T101-Y190 HydrophobicContact CG2-CG 4.35Å; F103-Y190 HydrophobicContact CB-CE2 3.84Å; F103-Y190 WeakPolarHBondContact CB-OH 3.36Å; F103-Y190 AromaticContact CD1-CD2 3.81Å; F103-Y190 HydrophobicContact CD1-CD2 3.81Å; F103-Y190 AromaticContact CD1-CE2 3.64Å; F103-Y190 HydrophobicContact CD1-CE2 3.64Å; F103-Y190 HydrophobicContact CD2-CD2 4.45Å; F103-Y190 AromaticContact CD2-CE2 3.75Å; F103-Y190 HydrophobicContact CD2-CE2 3.75Å; F103-Y190 AromaticContact CE1-CD2 3.97Å; F103-Y190 HydrophobicContact CE1-CD2 3.97Å; F103-Y190 HydrophobicContact CE1-CE2 4.15Å; F103-Y190 HydrophobicContact CE2-CE2 4.23Å; F103-Y190 HydrophobicContact CG-CD2 4.09Å; F103-Y190 AromaticContact CG-CE2 3.43Å; F103-Y190 HydrophobicContact CG-CE2 3.43Å; F103-Y190 VanDerWaalsContact CG-CE2 3.43Å; F103-Y190 AromaticContact CG-CZ 3.87Å; F103-Y190 HydrophobicContact CZ-CD2 4.35Å; F103-Y190 HydrophobicContact CZ-CE2 4.43Å; I170-Y190 HydrophobicContact CD1-CD2 3.97Å; I170-Y190 HydrophobicContact CD1-CG 4.19Å; V186-Y190 WeakPolarHBondContact O-CB 3.47Å; V186-Y190 PolarHBondContact O-N 3.11Å; Q187-Y190 PolarHBondContact O-N 3.34Å; C188-Y190 VanDerWaalsContact C-N 3.31Å; C188-Y190 PolarHBondContact O-N 3.49Å; Y190-L193 PolarHBondContact O-N 2.94Å; Y190-K194 HydrophobicContact CD2-CB 4.45Å; Y190-K194 HydrophobicContact CE2-CB 4.25Å; Y190-K194 HydrophobicContact CE2-CD 3.97Å; Y190-K194 WeakPolarHBondContact O-CB 3.39Å; Y190-K194 PolarHBondContact O-N 3.42Å; Y190-K194 PolarHBondContact OH-NZ 3.37Å
191A86.4Confident86.8Confident21 Ų2132.8 Ų32.817%0.17415%0.15CC..Hα-helixtrans-62.7-45.618000000111.9Q187 C188 K195 A616 I620Q187-A191 WeakPolarHBondContact O-CB 3.22Å; Q187-A191 PolarHBondContact O-N 3.08Å; C188-A191 PolarHBondContact O-N 2.84Å; C188-A191 VanDerWaalsContact O-N 3.11Å; A191-K195 WeakPolarHBondContact O-CB 3.49Å; A191-K195 PolarHBondContact O-N 3.39Å; A191-A616 HydrophobicContact CB-CB 3.98Å; A191-I620 HydrophobicContact CB-CD1 4.43Å
192V86.9Confident85.3Confident0 Ų038.8 Ų38.80%018%0.18CC..Hα-helixtrans-61.8-50.1175.6174.50000110.8C188 K194 K195 L196 F233 W236 F613 A616C188-V192 WeakPolarHBondContact O-CG2 3.45Å; C188-V192 PolarHBondContact O-N 2.64Å; V192-K194 PolarHBondContact O-N 3.46Å; V192-K195 PolarHBondContact O-N 2.82Å; V192-K195 VanDerWaalsContact O-N 3.11Å; V192-L196 HydrophobicContact CG1-CD1 4.08Å; V192-L196 PolarHBondContact O-N 2.75Å; V192-F233 HydrophobicContact CG1-CD2 4.18Å; V192-F233 HydrophobicContact CG1-CE2 4.23Å; V192-W236 HydrophobicContact CG2-CH2 4.43Å; V192-F613 HydrophobicContact CG2-CD2 3.92Å; V192-F613 HydrophobicContact CG2-CE1 4.45Å; V192-F613 HydrophobicContact CG2-CE2 3.86Å; V192-F613 HydrophobicContact CG2-CG 4.26Å; V192-F613 HydrophobicContact CG2-CZ 4.13Å; V192-A616 HydrophobicContact CG2-CB 4.27Å
193L88.6Confident83.3Confident1 Ų141.3 Ų41.31%0.00520%0.198CC..Hα-helixtrans-61.1-42.7179.7179.556.4000112.4I170 V189 Y190 K195 L196 H197 I210 W211 L214 F233I170-L193 HydrophobicContact CD1-CD2 4.22Å; V189-L193 WeakPolarHBondContact O-CB 3.35Å; V189-L193 PolarHBondContact O-N 3.48Å; Y190-L193 PolarHBondContact O-N 2.94Å; L193-K195 VanDerWaalsContact C-N 3.27Å; L193-K195 PolarHBondContact O-N 3.11Å; L193-L196 PolarHBondContact O-N 3.42Å; L193-H197 WeakPolarHBondContact O-CB 3.49Å; L193-H197 PolarHBondContact O-N 2.89Å; L193-I210 HydrophobicContact CD1-CD1 3.8Å; L193-I210 HydrophobicContact CD1-CG1 4.12Å; L193-I210 HydrophobicContact CD1-CG2 4.47Å; L193-W211 HydrophobicContact CD2-CH2 3.59Å; L193-W211 HydrophobicContact CD2-CZ2 4.05Å; L193-W211 HydrophobicContact CD2-CZ3 4.21Å; L193-W211 HydrophobicContact CG-CH2 4.21Å; L193-W211 HydrophobicContact CG-CZ2 4.17Å; L193-L214 HydrophobicContact CD1-CD1 3.58Å; L193-L214 HydrophobicContact CD2-CD1 4.44Å; L193-F233 HydrophobicContact CB-CE2 4.25Å; L193-F233 HydrophobicContact CB-CZ 4.03Å; L193-F233 HydrophobicContact CD1-CE1 4.3Å; L193-F233 HydrophobicContact CD1-CZ 4.32Å; L193-F233 HydrophobicContact CD2-CZ 4.42Å; L193-F233 HydrophobicContact CG-CZ 4.49Å
194K85.3Confident81.2Confident100 Ų10046 Ų4644%0.43523%0.23SC..Hα-helixtrans-63.3-33.2175.8-175.3172.4-168.1160.60112.3Y190 V192 K198Y190-K194 HydrophobicContact CD2-CB 4.45Å; Y190-K194 HydrophobicContact CE2-CB 4.25Å; Y190-K194 HydrophobicContact CE2-CD 3.97Å; Y190-K194 WeakPolarHBondContact O-CB 3.39Å; Y190-K194 PolarHBondContact O-N 3.42Å; Y190-K194 PolarHBondContact OH-NZ 3.37Å; V192-K194 PolarHBondContact O-N 3.46Å; K194-K198 PolarHBondContact O-N 3.44Å
195K84.9Confident79.4Confident42 Ų4247.7 Ų47.718%0.18325%0.251CS..Hα-helixtrans-80.3-40.4178.7-161.175.9-169.9-1470112.2A191 V192 L193 H197 K198 L199 A612 L615A191-K195 WeakPolarHBondContact O-CB 3.49Å; A191-K195 PolarHBondContact O-N 3.39Å; V192-K195 PolarHBondContact O-N 2.82Å; V192-K195 VanDerWaalsContact O-N 3.11Å; L193-K195 VanDerWaalsContact C-N 3.27Å; L193-K195 PolarHBondContact O-N 3.11Å; K195-H197 VanDerWaalsContact C-N 3.26Å; K195-H197 PolarHBondContact O-N 3.36Å; K195-K198 PolarHBondContact O-N 3.09Å; K195-L199 WeakPolarHBondContact O-CG 3.42Å; K195-L199 PolarHBondContact O-N 2.88Å; K195-A612 HydrophobicContact CB-CB 3.93Å; K195-A612 HydrophobicContact CG-CB 4.13Å; K195-L615 HydrophobicContact CD-CB 3.9Å; K195-L615 HydrophobicContact CG-CB 3.94Å
196L84.8Confident77.8Confident5 Ų556.8 Ų56.83%0.02629%0.294CS..Hα-helixtrans-51.5-46.1167.3-80.4168.3000111.1V192 L193 K198 L199 S200 I210 F233 M608 L609 A612V192-L196 HydrophobicContact CG1-CD1 4.08Å; V192-L196 PolarHBondContact O-N 2.75Å; L193-L196 PolarHBondContact O-N 3.42Å; L196-K198 VanDerWaalsContact C-N 3.34Å; L196-K198 PolarHBondContact O-N 3.28Å; L196-L199 PolarHBondContact O-N 3.02Å; L196-L199 VanDerWaalsContact O-N 3.11Å; L196-S200 PolarHBondContact O-N 3.23Å; L196-S200 PolarHBondContact O-OG 3.33Å; L196-I210 HydrophobicContact CB-CD1 3.71Å; L196-I210 HydrophobicContact CD1-CD1 3.69Å; L196-I210 HydrophobicContact CG-CD1 4.21Å; L196-F233 HydrophobicContact CD1-CB 4.08Å; L196-F233 HydrophobicContact CD1-CD2 3.84Å; L196-F233 HydrophobicContact CD1-CG 4.11Å; L196-M608 HydrophobicContact CD2-CB 4.33Å; L196-L609 HydrophobicContact CD2-CB 4.18Å; L196-A612 HydrophobicContact CB-CB 4.5Å; L196-A612 HydrophobicContact CD2-CB 4.02Å; L196-A612 HydrophobicContact CG-CB 3.75Å
197H83.8Confident76.3Confident20 Ų2058.6 Ų58.69%0.09331%0.307CS..Hα-helixtrans-62.8-31.8175.3175.358.7000114.8P106 L193 K195 L199 S200 K201 D209 I210 W211P106-H197 WeakPolarHBondContact CG-NE2 3.46Å; L193-H197 WeakPolarHBondContact O-CB 3.49Å; L193-H197 PolarHBondContact O-N 2.89Å; K195-H197 VanDerWaalsContact C-N 3.26Å; K195-H197 PolarHBondContact O-N 3.36Å; H197-L199 VanDerWaalsContact C-N 3.35Å; H197-S200 WeakPolarHBondContact CA-OG 3.37Å; H197-S200 PolarHBondContact O-OG 3.09Å; H197-K201 WeakPolarHBondContact CE1-CE 3.45Å; H197-K201 PolarHBondContact CE1-NZ 3.01Å; H197-K201 PolarHBondContact NE2-NZ 3.46Å; H197-D209 IonicContact CE1-OD1 2.79Å; H197-D209 IonicContact CE1-OD2 3.94Å; H197-D209 PolarHBondContact CE1-OD2 3.38Å; H197-D209 IonicContact CG-OD1 3.66Å; H197-D209 VanDerWaalsContact ND1-CG 3.27Å; H197-D209 IonicContact ND1-OD1 3.08Å; H197-D209 PolarHBondContact ND1-OD1 3.31Å; H197-D209 IonicContact ND1-OD2 2.66Å; H197-D209 PolarHBondContact ND1-OD2 3Å; H197-I210 HydrophobicContact CB-CG2 3.77Å; H197-W211 AromaticContact CD2-NE1 3.87Å; H197-W211 AromaticContact CE1-CD1 3.48Å; H197-W211 VanDerWaalsContact CE1-CD1 3.48Å; H197-W211 AromaticContact CE1-NE1 3.89Å; H197-W211 AromaticContact CG-CD1 3.71Å; H197-W211 AromaticContact CG-NE1 3.56Å; H197-W211 AromaticContact ND1-CD1 3.27Å; H197-W211 VanDerWaalsContact ND1-CD1 3.27Å; H197-W211 AromaticContact ND1-NE1 3.64Å
198K81.9Confident75.3Confident144 Ų14457.3 Ų57.363%0.62630%0.303SS*.Hα-helixtrans-74.2-28.9173.8-173.8169.1178.5177.40111.6K194 K195 L196K194-K198 PolarHBondContact O-N 3.44Å; K195-K198 PolarHBondContact O-N 3.09Å; L196-K198 VanDerWaalsContact C-N 3.34Å; L196-K198 PolarHBondContact O-N 3.28Å
199L80Confident74.8Confident23 Ų2357.4 Ų57.412%0.1230%0.302CS..Hα-helixtrans-80.3-41.6178.6-64.9173.1000112.3K195 L196 H197 K201 L202 M608 Q611 A612K195-L199 WeakPolarHBondContact O-CG 3.42Å; K195-L199 PolarHBondContact O-N 2.88Å; L196-L199 PolarHBondContact O-N 3.02Å; L196-L199 VanDerWaalsContact O-N 3.11Å; H197-L199 VanDerWaalsContact C-N 3.35Å; L199-K201 VanDerWaalsContact C-N 3.25Å; L199-K201 PolarHBondContact O-N 3.4Å; L199-L202 PolarHBondContact O-N 2.93Å; L199-L202 VanDerWaalsContact O-N 3.1Å; L199-M608 HydrophobicContact CB-CB 4.39Å; L199-M608 HydrophobicContact CB-CG 4.31Å; L199-M608 HydrophobicContact CB-SD 4.02Å; L199-M608 HydrophobicContact CD1-CB 4.16Å; L199-M608 VanDerWaalsContact CD1-O 3.31Å; L199-M608 WeakPolarHBondContact CD1-O 3.47Å; L199-Q611 HydrophobicContact CD1-CB 3.77Å; L199-A612 HydrophobicContact CD1-CB 4.13Å
200S76.9Confident74.4Confident5 Ų557.3 Ų57.34%0.03530%0.302CS..Hα-helixtrans-54.3-41.1175.854.30000112.4L196 H197 L202 S203 D209L196-S200 PolarHBondContact O-N 3.23Å; L196-S200 PolarHBondContact O-OG 3.33Å; H197-S200 WeakPolarHBondContact CA-OG 3.37Å; H197-S200 PolarHBondContact O-OG 3.09Å; S200-L202 PolarHBondContact O-N 2.93Å; S200-L202 VanDerWaalsContact O-N 3.11Å; S200-S203 VanDerWaalsContact O-CB 3.22Å; S200-S203 WeakPolarHBondContact O-CB 3.49Å; S200-S203 PolarHBondContact O-N 3.29Å; S200-D209 PolarHBondContact OG-OD1 3.31Å
201K68Low74Confident108 Ų10856.7 Ų56.747%0.4730%0.299SS..THydrogen-bonded Turntrans-66.5-5.3179.4-81.9177.9165.1168.40116.4H197 L199 D209H197-K201 WeakPolarHBondContact CE1-CE 3.45Å; H197-K201 PolarHBondContact CE1-NZ 3.01Å; H197-K201 PolarHBondContact NE2-NZ 3.46Å; L199-K201 VanDerWaalsContact C-N 3.25Å; L199-K201 PolarHBondContact O-N 3.4Å; K201-D209 VanDerWaalsContact CE-OD2 3.24Å; K201-D209 WeakPolarHBondContact CE-OD2 3.17Å
202L61.5Low73.6Confident148 Ų14857.9 Ų57.978%0.77530%0.303SS*.THydrogen-bonded Turntrans-88.8-10170.3-69.6160000112.3L199 S200L199-L202 PolarHBondContact O-N 2.93Å; L199-L202 VanDerWaalsContact O-N 3.1Å; S200-L202 PolarHBondContact O-N 2.93Å; S200-L202 VanDerWaalsContact O-N 3.11Å
203S53.6Low73.3Confident54 Ų5459 Ų5938%0.37831%0.31SS..SBendtrans-74.6165.1166.9-178.80000111.3S200 S207S200-S203 VanDerWaalsContact O-CB 3.22Å; S200-S203 WeakPolarHBondContact O-CB 3.49Å; S200-S203 PolarHBondContact O-N 3.29Å; S203-S207 VanDerWaalsContact CB-OG 3.27Å; S203-S207 WeakPolarHBondContact CB-OG 3.48Å; S203-S207 WeakPolarHBondContact OG-CB 3.26Å; S203-S207 PolarHBondContact OG-OG 3.34Å
204C48.1Very low73Confident100 Ų10059.3 Ų59.368%0.67631%0.311SS*.  trans-59.6157.7-167.6-157.70000114.5E206 S207C204-E206 PolarHBondContact O-N 2.99Å; C204-S207 PolarHBondContact N-OG 2.95Å; C204-S207 WeakPolarHBondContact O-CB 3.12Å; C204-S207 PolarHBondContact O-N 3.2Å; C204-S207 PolarHBondContact O-OG 2.97Å
205V53.5Low72.6Confident141 Ų14155.9 Ų55.986%0.85530%0.299SS*.THydrogen-bonded Turntrans-57.9-17.7-167.7178.50000115.2
206E59.4Low71.7Confident192 Ų19255.9 Ų55.990%0.89730%0.304SS*.THydrogen-bonded Turntrans-113.46.7178.3-56.6-167.3141.700113.7C204C204-E206 PolarHBondContact O-N 2.99Å
207S61.7Low70.1Confident38 Ų3863.6 Ų63.627%0.26635%0.345SS..SBendtrans-84142.2179.164.80000112.5S203 C204S203-S207 VanDerWaalsContact CB-OG 3.27Å; S203-S207 WeakPolarHBondContact CB-OG 3.48Å; S203-S207 WeakPolarHBondContact OG-CB 3.26Å; S203-S207 PolarHBondContact OG-OG 3.34Å; C204-S207 PolarHBondContact N-OG 2.95Å; C204-S207 WeakPolarHBondContact O-CB 3.12Å; C204-S207 PolarHBondContact O-N 3.2Å; C204-S207 PolarHBondContact O-OG 2.97Å
208P67.2Low68.7Low24 Ų2467.3 Ų67.316%0.15637%0.365CS..PPolyproline II helixtrans-69.5141.5-17728.2-36000112.2D212 L220P208-D212 HydrophobicContact CB-CB 4.28Å; P208-L220 HydrophobicContact CB-CD1 4.19Å; P208-L220 HydrophobicContact CG-CD1 3.76Å; P208-L220 HydrophobicContact CG-CD2 4Å
209D76.5Confident67.1Low14 Ų1467.1 Ų67.18%0.07538%0.376CS..PPolyproline II helixtrans-79.8161.2176-153.6-33.4000111H197 S200 K201 W211 D212 V213H197-D209 IonicContact CE1-OD1 2.79Å; H197-D209 IonicContact CE1-OD2 3.94Å; H197-D209 PolarHBondContact CE1-OD2 3.38Å; H197-D209 IonicContact CG-OD1 3.66Å; H197-D209 VanDerWaalsContact ND1-CG 3.27Å; H197-D209 IonicContact ND1-OD1 3.08Å; H197-D209 PolarHBondContact ND1-OD1 3.31Å; H197-D209 IonicContact ND1-OD2 2.66Å; H197-D209 PolarHBondContact ND1-OD2 3Å; S200-D209 PolarHBondContact OG-OD1 3.31Å; K201-D209 VanDerWaalsContact CE-OD2 3.24Å; K201-D209 WeakPolarHBondContact CE-OD2 3.17Å; D209-W211 PolarHBondContact O-N 3.34Å; D209-D212 WeakPolarHBondContact CB-OD2 3.27Å; D209-D212 PolarHBondContact N-OD2 2.93Å; D209-D212 WeakPolarHBondContact O-CB 3.43Å; D209-D212 PolarHBondContact O-N 3.45Å; D209-V213 PolarHBondContact O-N 2.88Å; D209-V213 VanDerWaalsContact O-N 3.16Å
210I82.5Confident65.8Low2 Ų268.8 Ų68.81%0.0138%0.384CS..Hα-helixtrans-57.4-33.2173.9-177.8158.5000111.4L193 L196 H197 D212 V213 L214 V226 T230L193-I210 HydrophobicContact CD1-CD1 3.8Å; L193-I210 HydrophobicContact CD1-CG1 4.12Å; L193-I210 HydrophobicContact CD1-CG2 4.47Å; L196-I210 HydrophobicContact CB-CD1 3.71Å; L196-I210 HydrophobicContact CD1-CD1 3.69Å; L196-I210 HydrophobicContact CG-CD1 4.21Å; H197-I210 HydrophobicContact CB-CG2 3.77Å; I210-D212 VanDerWaalsContact C-N 3.34Å; I210-V213 PolarHBondContact O-N 3.33Å; I210-L214 HydrophobicContact CD1-CD1 4.4Å; I210-L214 HydrophobicContact CG1-CD1 3.83Å; I210-L214 HydrophobicContact CG1-CG 4.14Å; I210-L214 WeakPolarHBondContact O-CB 3.33Å; I210-L214 VanDerWaalsContact O-CG 3.3Å; I210-L214 WeakPolarHBondContact O-CG 3.3Å; I210-L214 PolarHBondContact O-N 2.94Å; I210-V226 HydrophobicContact CB-CG1 4.37Å; I210-T230 HydrophobicContact CD1-CG2 4.33Å; I210-T230 HydrophobicContact CG1-CG2 4.01Å; I210-T230 WeakPolarHBondContact CG1-OG1 3.31Å
211W82.5Confident64.7Low9 Ų972.8 Ų72.83%0.03441%0.412CS..Hα-helixtrans-65.4-36174.1-75.3117.6000113.4L14 F103 R105 T168 L193 H197 D209 V213 L214 T215L14-W211 HydrophobicContact CD1-CZ3 4.22Å; F103-W211 AromaticContact CE2-CH2 3.77Å; F103-W211 HydrophobicContact CE2-CH2 3.77Å; F103-W211 AromaticContact CE2-CZ2 3.81Å; F103-W211 HydrophobicContact CE2-CZ2 3.81Å; F103-W211 AromaticContact CZ-CH2 3.79Å; F103-W211 HydrophobicContact CZ-CH2 3.79Å; F103-W211 HydrophobicContact CZ-CZ2 4.24Å; R105-W211 HydrophobicContact CG-CD2 4.19Å; R105-W211 HydrophobicContact CG-CG 4.35Å; T168-W211 HydrophobicContact CG2-CH2 4.07Å; T168-W211 HydrophobicContact CG2-CZ3 4.07Å; L193-W211 HydrophobicContact CD2-CH2 3.59Å; L193-W211 HydrophobicContact CD2-CZ2 4.05Å; L193-W211 HydrophobicContact CD2-CZ3 4.21Å; L193-W211 HydrophobicContact CG-CH2 4.21Å; L193-W211 HydrophobicContact CG-CZ2 4.17Å; H197-W211 AromaticContact CD2-NE1 3.87Å; H197-W211 AromaticContact CE1-CD1 3.48Å; H197-W211 VanDerWaalsContact CE1-CD1 3.48Å; H197-W211 AromaticContact CE1-NE1 3.89Å; H197-W211 AromaticContact CG-CD1 3.71Å; H197-W211 AromaticContact CG-NE1 3.56Å; H197-W211 AromaticContact ND1-CD1 3.27Å; H197-W211 VanDerWaalsContact ND1-CD1 3.27Å; H197-W211 AromaticContact ND1-NE1 3.64Å; D209-W211 PolarHBondContact O-N 3.34Å; W211-V213 VanDerWaalsContact C-N 3.33Å; W211-L214 PolarHBondContact O-N 2.93Å; W211-T215 PolarHBondContact O-N 3.35Å; W211-T215 PolarHBondContact O-OG1 2.94Å
212D78Confident64Low45 Ų4573.5 Ų73.524%0.24143%0.43CS..Hα-helixtrans-69.7-37.7179-55.3-37000109.8P208 D209 I210 S216P208-D212 HydrophobicContact CB-CB 4.28Å; D209-D212 WeakPolarHBondContact CB-OD2 3.27Å; D209-D212 PolarHBondContact N-OD2 2.93Å; D209-D212 WeakPolarHBondContact O-CB 3.43Å; D209-D212 PolarHBondContact O-N 3.45Å; I210-D212 VanDerWaalsContact C-N 3.34Å; D212-S216 WeakPolarHBondContact O-CB 3.4Å; D212-S216 PolarHBondContact O-N 2.81Å; D212-S216 VanDerWaalsContact O-N 3.15Å; D212-S216 PolarHBondContact O-OG 3.08Å
213V80.5Confident64Low25 Ų2571.5 Ų71.515%0.15243%0.428CS..Hα-helixtrans-70-34.8173.7-175.50000112.3D209 I210 W211 V227 T230D209-V213 PolarHBondContact O-N 2.88Å; D209-V213 VanDerWaalsContact O-N 3.16Å; I210-V213 PolarHBondContact O-N 3.33Å; W211-V213 VanDerWaalsContact C-N 3.33Å; V213-V227 HydrophobicContact CG2-CG2 4.13Å; V213-T230 HydrophobicContact CB-CG2 4.14Å; V213-T230 HydrophobicContact CG1-CG2 3.71Å
214L82.1Confident64.9Low7 Ų770.3 Ų70.34%0.03742%0.417CS..Hα-helixtrans-80.8-25179.7-74176.2000114.5L14 L193 I210 W211 T230 Q234L14-L214 HydrophobicContact CD1-CB 4.49Å; L14-L214 HydrophobicContact CD1-CD1 4.23Å; L193-L214 HydrophobicContact CD1-CD1 3.58Å; L193-L214 HydrophobicContact CD2-CD1 4.44Å; I210-L214 HydrophobicContact CD1-CD1 4.4Å; I210-L214 HydrophobicContact CG1-CD1 3.83Å; I210-L214 HydrophobicContact CG1-CG 4.14Å; I210-L214 WeakPolarHBondContact O-CB 3.33Å; I210-L214 VanDerWaalsContact O-CG 3.3Å; I210-L214 WeakPolarHBondContact O-CG 3.3Å; I210-L214 PolarHBondContact O-N 2.94Å; W211-L214 PolarHBondContact O-N 2.93Å; L214-T230 HydrophobicContact CD2-CG2 3.68Å; L214-T230 HydrophobicContact CG-CG2 3.85Å; L214-Q234 HydrophobicContact CD2-CG 4.32Å
215T77.2Confident66.2Low28 Ų2869.4 Ų69.417%0.17241%0.41CS..Hα-helixtrans-110.32.4-179.167.30000115.1L32 R105 W211L32-T215 HydrophobicContact CB-CG2 3.96Å; L32-T215 HydrophobicContact CD1-CG2 4.02Å; L32-T215 HydrophobicContact CD2-CG2 4.47Å; L32-T215 HydrophobicContact CG-CG2 4.38Å; R105-T215 PolarHBondContact NH1-OG1 2.92Å; W211-T215 PolarHBondContact O-N 3.35Å; W211-T215 PolarHBondContact O-OG1 2.94Å
216S65.9Low67.4Low41 Ų4162.9 Ų62.929%0.28737%0.371SS..SBendtrans-134.8134.2-177.2-29.30000110.6D212 I218D212-S216 WeakPolarHBondContact O-CB 3.4Å; D212-S216 PolarHBondContact O-N 2.81Å; D212-S216 VanDerWaalsContact O-N 3.15Å; D212-S216 PolarHBondContact O-OG 3.08Å; S216-I218 PolarHBondContact O-N 3.2Å
217N52.2Low68.4Low168 Ų16855.2 Ų55.290%0.89834%0.337SS*.  trans-74.343.1176.9-69.2-1.8000112.6T219N217-T219 PolarHBondContact O-N 2.83Å
218I53.6Low69.2Low98 Ų9857.2 Ų57.250%0.50334%0.342SS..  trans-85.9104.8-176.1-56.6168.1000109S216 L220S216-I218 PolarHBondContact O-N 3.2Å; I218-L220 HydrophobicContact CB-CD1 4.17Å; I218-L220 HydrophobicContact CG2-CD1 3.61Å; I218-L220 HydrophobicContact CG2-CG 3.75Å; I218-L220 PolarHBondContact O-N 2.84Å
219T48.8Very low69.9Low140 Ų14056.4 Ų56.486%0.85934%0.337SS*.  trans-72.871.5170.455.70000110.9N217N217-T219 PolarHBondContact O-N 2.83Å
220L52Low70.2Confident57 Ų5755.8 Ų55.830%0.29833%0.334SS..  trans-63.8147.1169.3-81.2129000110.6P208 I218 V227P208-L220 HydrophobicContact CB-CD1 4.19Å; P208-L220 HydrophobicContact CG-CD1 3.76Å; P208-L220 HydrophobicContact CG-CD2 4Å; I218-L220 HydrophobicContact CB-CD1 4.17Å; I218-L220 HydrophobicContact CG2-CD1 3.61Å; I218-L220 HydrophobicContact CG2-CG 3.75Å; I218-L220 PolarHBondContact O-N 2.84Å; L220-V227 HydrophobicContact CB-CG2 4.04Å; L220-V227 HydrophobicContact CD1-CG2 4.31Å
221S53.6Low70.2Confident89 Ų8961 Ų6162%0.62235%0.353SS*.  trans-59.5139.7174.644.30000111.3S223S221-S223 PolarHBondContact O-N 3.19Å
222C54.3Low70.3Confident123 Ų12362.3 Ų62.383%0.83136%0.36SS*.THydrogen-bonded Turntrans-7223.2-163.8-51.10000116.1
223S60.7Low70.8Confident106 Ų10660.4 Ų60.474%0.74135%0.35SS*.THydrogen-bonded Turntrans-109.71.3-176.759.30000114.5S221S221-S223 PolarHBondContact O-N 3.19Å
224N73.4Confident71.1Confident29 Ų2962.3 Ų62.316%0.15536%0.357CS..  trans-88.8124.8177.1-176.7-34.1000110.9V226 V227 E228N224-V226 PolarHBondContact O-N 2.88Å; N224-V226 WeakPolarHBondContact OD1-CB 3.02Å; N224-V226 PolarHBondContact OD1-N 2.97Å; N224-V227 HydrophobicContact CB-CB 4.36Å; N224-V227 HydrophobicContact CB-CG2 3.95Å; N224-V227 WeakPolarHBondContact O-CB 3.47Å; N224-V227 PolarHBondContact O-N 3.21Å; N224-E228 PolarHBondContact O-N 3.35Å
225P75Confident71.3Confident82 Ų8264.2 Ų64.253%0.53237%0.367SS..Hα-helixtrans-64.6-23-177.727.4-36.2000114S229 M608P225-S229 VanDerWaalsContact O-CB 3.28Å; P225-S229 WeakPolarHBondContact O-CB 3.41Å; P225-S229 PolarHBondContact O-N 2.99Å; P225-S229 PolarHBondContact O-OG 2.88Å; P225-M608 VanDerWaalsContact C-CE 3.49Å; P225-M608 HydrophobicContact CB-CE 4.09Å; P225-M608 WeakPolarHBondContact O-CE 3.46Å
226V78.7Confident71.8Confident3 Ų362.9 Ų62.92%0.01836%0.359CS..Hα-helixtrans-68.4-42.5172.4-176.50000110.6I210 N224 S229 T230 M608I210-V226 HydrophobicContact CB-CG1 4.37Å; N224-V226 PolarHBondContact O-N 2.88Å; N224-V226 WeakPolarHBondContact OD1-CB 3.02Å; N224-V226 PolarHBondContact OD1-N 2.97Å; V226-S229 PolarHBondContact O-N 2.86Å; V226-T230 WeakPolarHBondContact O-CB 3.32Å; V226-T230 PolarHBondContact O-N 2.79Å; V226-T230 PolarHBondContact O-OG1 2.85Å; V226-M608 HydrophobicContact CB-CE 4.36Å; V226-M608 HydrophobicContact CG2-CE 3.9Å
227V80.1Confident73Confident31 Ų3161.1 Ų61.119%0.18835%0.346CS..Hα-helixtrans-64.9-45.5179.4177.10000110.2V213 L220 N224 T230 R231V213-V227 HydrophobicContact CG2-CG2 4.13Å; L220-V227 HydrophobicContact CB-CG2 4.04Å; L220-V227 HydrophobicContact CD1-CG2 4.31Å; N224-V227 HydrophobicContact CB-CB 4.36Å; N224-V227 HydrophobicContact CB-CG2 3.95Å; N224-V227 WeakPolarHBondContact O-CB 3.47Å; N224-V227 PolarHBondContact O-N 3.21Å; V227-T230 WeakPolarHBondContact O-CB 3.46Å; V227-T230 PolarHBondContact O-N 3.24Å; V227-R231 PolarHBondContact O-N 2.82Å
228E78.6Confident74.7Confident80 Ų8054.3 Ų54.337%0.37431%0.309SS..Hα-helixtrans-67-41.9177.7-179.351.4-150.500112.2N224 T230 R231 Q232N224-E228 PolarHBondContact O-N 3.35Å; E228-T230 PolarHBondContact O-N 2.75Å; E228-R231 WeakPolarHBondContact O-CB 3.45Å; E228-R231 PolarHBondContact O-N 2.78Å; E228-R231 WeakPolarHBondContact OE2-CD 3.48Å; E228-Q232 WeakPolarHBondContact O-CG 3.39Å; E228-Q232 PolarHBondContact O-N 3.04Å; E228-Q232 WeakPolarHBondContact OE1-CG 3.5Å; E228-Q232 PolarHBondContact OE1-NE2 3.43Å
229S81.1Confident76.4Confident7 Ų751.7 Ų51.75%0.04929%0.293CS..Hα-helixtrans-61.8-32.9173.4-56.60000112.3P225 V226 F233 M608P225-S229 VanDerWaalsContact O-CB 3.28Å; P225-S229 WeakPolarHBondContact O-CB 3.41Å; P225-S229 PolarHBondContact O-N 2.99Å; P225-S229 PolarHBondContact O-OG 2.88Å; V226-S229 PolarHBondContact O-N 2.86Å; S229-F233 PolarHBondContact O-N 3.05Å; S229-M608 WeakPolarHBondContact OG-CE 3.36Å
230T84Confident78.3Confident1 Ų145 Ų451%0.00625%0.252CS..Hα-helixtrans-72.2-41175.2-51.60000111.4I210 V213 L214 V226 V227 E228 Q232 F233 Q234I210-T230 HydrophobicContact CD1-CG2 4.33Å; I210-T230 HydrophobicContact CG1-CG2 4.01Å; I210-T230 WeakPolarHBondContact CG1-OG1 3.31Å; V213-T230 HydrophobicContact CB-CG2 4.14Å; V213-T230 HydrophobicContact CG1-CG2 3.71Å; L214-T230 HydrophobicContact CD2-CG2 3.68Å; L214-T230 HydrophobicContact CG-CG2 3.85Å; V226-T230 WeakPolarHBondContact O-CB 3.32Å; V226-T230 PolarHBondContact O-N 2.79Å; V226-T230 PolarHBondContact O-OG1 2.85Å; V227-T230 WeakPolarHBondContact O-CB 3.46Å; V227-T230 PolarHBondContact O-N 3.24Å; E228-T230 PolarHBondContact O-N 2.75Å; T230-Q232 VanDerWaalsContact C-N 3.32Å; T230-Q232 PolarHBondContact O-N 2.84Å; T230-F233 WeakPolarHBondContact O-CB 3.43Å; T230-F233 PolarHBondContact O-N 3.29Å; T230-Q234 WeakPolarHBondContact O-CG 3.49Å; T230-Q234 PolarHBondContact O-N 3.48Å
231R82.8Confident80.2Confident111 Ų11143.4 Ų43.442%0.41924%0.243SC..Hα-helixtrans-59.2-43.2172.8-175.1-169.7176.7109.96.8111.4V227 E228 Q234 L235 Y711V227-R231 PolarHBondContact O-N 2.82Å; E228-R231 WeakPolarHBondContact O-CB 3.45Å; E228-R231 PolarHBondContact O-N 2.78Å; E228-R231 WeakPolarHBondContact OE2-CD 3.48Å; R231-Q234 PolarHBondContact O-N 3.14Å; R231-L235 HydrophobicContact CG-CD1 4.41Å; R231-L235 WeakPolarHBondContact O-CB 3.42Å; R231-L235 PolarHBondContact O-N 3.11Å; R231-Y711 PolarHBondContact NH2-OH 3.22Å
232Q83.3Confident81.8Confident38 Ų3840.7 Ų40.718%0.17822%0.224CC..Hα-helixtrans-64.4-40.8176-70.3173.213.200111.9E228 T230 L235 W236 F579 S607 L609E228-Q232 WeakPolarHBondContact O-CG 3.39Å; E228-Q232 PolarHBondContact O-N 3.04Å; E228-Q232 WeakPolarHBondContact OE1-CG 3.5Å; E228-Q232 PolarHBondContact OE1-NE2 3.43Å; T230-Q232 VanDerWaalsContact C-N 3.32Å; T230-Q232 PolarHBondContact O-N 2.84Å; Q232-L235 PolarHBondContact O-N 3.32Å; Q232-W236 PolarHBondContact O-N 3.27Å; Q232-F579 HydrophobicContact CB-CE1 4.07Å; Q232-F579 HydrophobicContact CB-CZ 4.47Å; Q232-F579 HydrophobicContact CG-CE1 4.23Å; Q232-S607 PolarHBondContact OE1-OG 2.66Å; Q232-L609 HydrophobicContact CB-CD1 3.85Å
233F88Confident83.4Confident5 Ų534.9 Ų34.92%0.02219%0.186CC..Hα-helixtrans-62.1-45.4173.2177.6-99.1000112.1V189 V192 L193 L196 S229 T230 L235 W236 I237 L609V189-F233 HydrophobicContact CG1-CE2 4.35Å; V189-F233 HydrophobicContact CG1-CZ 3.93Å; V192-F233 HydrophobicContact CG1-CD2 4.18Å; V192-F233 HydrophobicContact CG1-CE2 4.23Å; L193-F233 HydrophobicContact CB-CE2 4.25Å; L193-F233 HydrophobicContact CB-CZ 4.03Å; L193-F233 HydrophobicContact CD1-CE1 4.3Å; L193-F233 HydrophobicContact CD1-CZ 4.32Å; L193-F233 HydrophobicContact CD2-CZ 4.42Å; L193-F233 HydrophobicContact CG-CZ 4.49Å; L196-F233 HydrophobicContact CD1-CB 4.08Å; L196-F233 HydrophobicContact CD1-CD2 3.84Å; L196-F233 HydrophobicContact CD1-CG 4.11Å; S229-F233 PolarHBondContact O-N 3.05Å; T230-F233 WeakPolarHBondContact O-CB 3.43Å; T230-F233 PolarHBondContact O-N 3.29Å; F233-L235 PolarHBondContact O-N 3.33Å; F233-W236 HydrophobicContact CD2-CE3 4.07Å; F233-W236 HydrophobicContact CD2-CZ3 4.23Å; F233-W236 HydrophobicContact CE2-CE3 4.11Å; F233-W236 AromaticContact CE2-CZ3 3.85Å; F233-W236 HydrophobicContact CE2-CZ3 3.85Å; F233-W236 PolarHBondContact O-N 2.89Å; F233-I237 HydrophobicContact CE1-CG1 4.17Å; F233-I237 HydrophobicContact CZ-CD1 4.25Å; F233-I237 HydrophobicContact CZ-CG1 4.25Å; F233-I237 WeakPolarHBondContact O-CG1 3.5Å; F233-I237 PolarHBondContact O-N 3.27Å; F233-L609 HydrophobicContact CB-CD1 3.92Å
234Q88.3Confident84.7Confident65 Ų6530.4 Ų30.430%0.30415%0.154SC..Hα-helixtrans-60.2-44.2175.3-69.2175.8-12.800111.8F35 L214 T230 R231 W236 I237 L238F35-Q234 HydrophobicContact CE1-CB 4.04Å; F35-Q234 HydrophobicContact CE1-CG 3.76Å; F35-Q234 HydrophobicContact CZ-CG 3.92Å; L214-Q234 HydrophobicContact CD2-CG 4.32Å; T230-Q234 WeakPolarHBondContact O-CG 3.49Å; T230-Q234 PolarHBondContact O-N 3.48Å; R231-Q234 PolarHBondContact O-N 3.14Å; Q234-W236 VanDerWaalsContact C-N 3.34Å; Q234-W236 PolarHBondContact O-N 3.41Å; Q234-I237 PolarHBondContact O-N 3.13Å; Q234-L238 WeakPolarHBondContact O-CG 3.34Å; Q234-L238 PolarHBondContact O-N 2.83Å
235L85.6Confident85.5Confident46 Ų4629.2 Ų29.224%0.24115%0.148CC..Hα-helixtrans-58.9-41.1174.7-91.2163.4000112.9R231 Q232 F233 L238 R239 Y711R231-L235 HydrophobicContact CG-CD1 4.41Å; R231-L235 WeakPolarHBondContact O-CB 3.42Å; R231-L235 PolarHBondContact O-N 3.11Å; Q232-L235 PolarHBondContact O-N 3.32Å; F233-L235 PolarHBondContact O-N 3.33Å; L235-L238 PolarHBondContact O-N 3.38Å; L235-R239 WeakPolarHBondContact O-CG 3.3Å; L235-R239 PolarHBondContact O-N 2.97Å; L235-Y711 HydrophobicContact CD2-CD2 3.92Å; L235-Y711 HydrophobicContact CD2-CE1 4.24Å; L235-Y711 HydrophobicContact CD2-CE2 3.43Å; L235-Y711 VanDerWaalsContact CD2-CE2 3.43Å; L235-Y711 HydrophobicContact CG-CE2 4.05Å
236W88.6Confident86.3Confident1 Ų125.3 Ų25.30%0.00412%0.123CC..Hα-helixtrans-66-40176.517676.4000112.3V189 V192 Q232 F233 Q234 L238 R239 L240 V257 F613V189-W236 HydrophobicContact CG2-CH2 3.93Å; V189-W236 HydrophobicContact CG2-CZ3 3.89Å; V192-W236 HydrophobicContact CG2-CH2 4.43Å; Q232-W236 PolarHBondContact O-N 3.27Å; F233-W236 HydrophobicContact CD2-CE3 4.07Å; F233-W236 HydrophobicContact CD2-CZ3 4.23Å; F233-W236 HydrophobicContact CE2-CE3 4.11Å; F233-W236 AromaticContact CE2-CZ3 3.85Å; F233-W236 HydrophobicContact CE2-CZ3 3.85Å; F233-W236 PolarHBondContact O-N 2.89Å; Q234-W236 VanDerWaalsContact C-N 3.34Å; Q234-W236 PolarHBondContact O-N 3.41Å; W236-L238 PolarHBondContact O-N 2.9Å; W236-R239 PolarHBondContact O-N 3.36Å; W236-L240 HydrophobicContact CD2-CD1 3.97Å; W236-L240 HydrophobicContact CE3-CD1 4.13Å; W236-L240 HydrophobicContact CH2-CD1 4.25Å; W236-L240 HydrophobicContact CZ2-CD1 4.09Å; W236-L240 HydrophobicContact CZ3-CD1 4.26Å; W236-L240 WeakPolarHBondContact O-CG 3.39Å; W236-L240 PolarHBondContact O-N 3.33Å; W236-V257 HydrophobicContact CH2-CG1 4.47Å; W236-V257 HydrophobicContact CZ2-CG1 3.75Å; W236-V257 WeakPolarHBondContact CZ2-O 3.31Å; W236-V257 PolarHBondContact NE1-O 3.37Å; W236-F613 HydrophobicContact CH2-CE2 4.27Å; W236-F613 AromaticContact CZ2-CE2 3.66Å; W236-F613 HydrophobicContact CZ2-CE2 3.66Å; W236-F613 HydrophobicContact CZ2-CZ 4.04Å
237I90.6Very high86.8Confident3 Ų326.5 Ų26.52%0.01513%0.129CC..Hα-helixtrans-62.8-40.2171.8-61.4-63.8000111.7F12 F35 V189 F233 Q234 R239 L240 L241F12-I237 HydrophobicContact CB-CG2 3.91Å; F12-I237 HydrophobicContact CD2-CG2 3.85Å; F12-I237 HydrophobicContact CG-CG2 4.05Å; F35-I237 HydrophobicContact CB-CG2 3.78Å; F35-I237 HydrophobicContact CD1-CG2 4.43Å; F35-I237 HydrophobicContact CD2-CG2 3.79Å; F35-I237 HydrophobicContact CG-CG2 3.74Å; V189-I237 HydrophobicContact CG1-CD1 3.89Å; V189-I237 HydrophobicContact CG2-CD1 4.02Å; F233-I237 HydrophobicContact CE1-CG1 4.17Å; F233-I237 HydrophobicContact CZ-CD1 4.25Å; F233-I237 HydrophobicContact CZ-CG1 4.25Å; F233-I237 WeakPolarHBondContact O-CG1 3.5Å; F233-I237 PolarHBondContact O-N 3.27Å; Q234-I237 PolarHBondContact O-N 3.13Å; I237-R239 VanDerWaalsContact C-N 3.33Å; I237-R239 PolarHBondContact O-N 3.43Å; I237-L240 HydrophobicContact CD1-CD1 4.24Å; I237-L240 PolarHBondContact O-N 2.85Å; I237-L241 HydrophobicContact CG2-CD1 4.13Å; I237-L241 WeakPolarHBondContact O-CG 3.42Å; I237-L241 PolarHBondContact O-N 2.79Å
238L88.4Confident87.2Confident25 Ų2526.9 Ų26.913%0.13113%0.132CC..Hα-helixtrans-66.7-31.9176-65.5176.2000112.8F35 Q234 L235 W236 L241 S242 V710 Y711F35-L238 HydrophobicContact CB-CD2 4.2Å; F35-L238 HydrophobicContact CD1-CD2 4.24Å; Q234-L238 WeakPolarHBondContact O-CG 3.34Å; Q234-L238 PolarHBondContact O-N 2.83Å; L235-L238 PolarHBondContact O-N 3.38Å; W236-L238 PolarHBondContact O-N 2.9Å; L238-L241 HydrophobicContact CD2-CD1 4.19Å; L238-L241 PolarHBondContact O-N 3.03Å; L238-S242 PolarHBondContact O-N 2.89Å; L238-S242 PolarHBondContact O-OG 3.16Å; L238-V710 HydrophobicContact CD1-CG1 4.42Å; L238-V710 HydrophobicContact CD2-CG1 3.92Å; L238-Y711 HydrophobicContact CD1-CD2 4.19Å; L238-Y711 HydrophobicContact CD1-CE2 4.18Å
239R87.7Confident87.6Confident44 Ų4424.3 Ų24.317%0.16613%0.127CC..Hα-helixtrans-67.6-41.1171.1-71.9171.2178.4-178.1-6.6112.2L235 W236 I237 L241 S242 C574 D576 A691L235-R239 WeakPolarHBondContact O-CG 3.3Å; L235-R239 PolarHBondContact O-N 2.97Å; W236-R239 PolarHBondContact O-N 3.36Å; I237-R239 VanDerWaalsContact C-N 3.33Å; I237-R239 PolarHBondContact O-N 3.43Å; R239-L241 VanDerWaalsContact C-N 3.29Å; R239-L241 PolarHBondContact O-N 3.47Å; R239-S242 WeakPolarHBondContact O-CA 3.37Å; R239-S242 WeakPolarHBondContact O-CB 3.32Å; R239-S242 PolarHBondContact O-N 3.1Å; R239-C574 HydrophobicContact CB-CB 4.45Å; R239-D576 IonicContact CZ-OD2 2.98Å; R239-D576 IonicContact NH1-OD2 2.86Å; R239-D576 PolarHBondContact NH1-OD2 3.34Å; R239-D576 IonicContact NH2-OD2 3.68Å; R239-D576 PolarHBondContact NH2-OD2 2.74Å; R239-A691 HydrophobicContact CB-CB 4.5Å; R239-A691 HydrophobicContact CG-CB 4.15Å
240L90.3Very high87.9Confident0 Ų027 Ų270%015%0.145CC..Hα-helixtrans-61.7-36.2174.7-72.3163.3000112.4L185 W236 I237 S242 A243 L255 V257 C574L185-L240 HydrophobicContact CD1-CD2 4.3Å; W236-L240 HydrophobicContact CD2-CD1 3.97Å; W236-L240 HydrophobicContact CE3-CD1 4.13Å; W236-L240 HydrophobicContact CH2-CD1 4.25Å; W236-L240 HydrophobicContact CZ2-CD1 4.09Å; W236-L240 HydrophobicContact CZ3-CD1 4.26Å; W236-L240 WeakPolarHBondContact O-CG 3.39Å; W236-L240 PolarHBondContact O-N 3.33Å; I237-L240 HydrophobicContact CD1-CD1 4.24Å; I237-L240 PolarHBondContact O-N 2.85Å; L240-S242 PolarHBondContact O-N 3.5Å; L240-A243 WeakPolarHBondContact O-CB 3.36Å; L240-A243 PolarHBondContact O-N 2.63Å; L240-L255 HydrophobicContact CD2-CD1 4.19Å; L240-L255 HydrophobicContact CD2-CD2 3.92Å; L240-L255 HydrophobicContact CD2-CG 4.27Å; L240-V257 HydrophobicContact CD1-CG1 4.25Å; L240-V257 HydrophobicContact CD2-CG1 3.69Å; L240-C574 HydrophobicContact CD2-CB 4.09Å; L240-C574 VanDerWaalsContact CD2-SG 3.54Å; L240-C574 HydrophobicContact CG-CB 4.34Å
241L90.3Very high88.2Confident22 Ų2227 Ų2712%0.11515%0.145CC..THydrogen-bonded Turntrans-70.5-14.3172.3-71.7158.3000113.8I9 F12 F35 I237 L238 R239I9-L241 HydrophobicContact CB-CD2 4.04Å; I9-L241 HydrophobicContact CG2-CD2 3.66Å; F12-L241 HydrophobicContact CD2-CD2 4.48Å; F12-L241 HydrophobicContact CD2-CG 4.45Å; F35-L241 VanDerWaalsContact C-CD1 3.5Å; F35-L241 HydrophobicContact CB-CD1 3.51Å; F35-L241 WeakPolarHBondContact O-CD1 3.17Å; I237-L241 HydrophobicContact CG2-CD1 4.13Å; I237-L241 WeakPolarHBondContact O-CG 3.42Å; I237-L241 PolarHBondContact O-N 2.79Å; L238-L241 HydrophobicContact CD2-CD1 4.19Å; L238-L241 PolarHBondContact O-N 3.03Å; R239-L241 VanDerWaalsContact C-N 3.29Å; R239-L241 PolarHBondContact O-N 3.47Å
242S88.3Confident88.7Confident32 Ų3221.9 Ų21.922%0.22413%0.126CC..THydrogen-bonded Turntrans-91.72.5175.5-52.60000113.2L238 R239 L240 F572L238-S242 PolarHBondContact O-N 2.89Å; L238-S242 PolarHBondContact O-OG 3.16Å; R239-S242 WeakPolarHBondContact O-CA 3.37Å; R239-S242 WeakPolarHBondContact O-CB 3.32Å; R239-S242 PolarHBondContact O-N 3.1Å; L240-S242 PolarHBondContact O-N 3.5Å; S242-F572 WeakPolarHBondContact O-CZ 3.36Å
243A88.5Confident89.1Confident2 Ų220.1 Ų20.12%0.01712%0.118CC..PPolyproline II helixtrans-70132.9-179.300000111.7L8 L240 L255 F572L8-A243 HydrophobicContact CB-CB 4.38Å; L8-A243 WeakPolarHBondContact CB-O 3.39Å; L8-A243 HydrophobicContact CD2-CB 4.09Å; L8-A243 PolarHBondContact N-O 2.86Å; L240-A243 WeakPolarHBondContact O-CB 3.36Å; L240-A243 PolarHBondContact O-N 2.63Å; A243-L255 HydrophobicContact CB-CD1 3.95Å; A243-F572 HydrophobicContact CB-CD1 3.96Å; A243-F572 HydrophobicContact CB-CE1 3.91Å
244P88Confident89.4Confident12 Ų1221.9 Ų21.98%0.07813%0.125CC..BIsolated β-bridgetrans-67141.3178.226.9-32.8000111.3V253 F572 Y703P244-V253 HydrophobicContact CG-CG1 4.06Å; P244-V253 HydrophobicContact CG-CG2 4.23Å; P244-F572 VanDerWaalsContact CD-CD2 3.44Å; P244-F572 HydrophobicContact CG-CD2 4.19Å; P244-Y703 HydrophobicContact CB-CD1 4.05Å; P244-Y703 HydrophobicContact CB-CE1 3.51Å
245A89.7Confident89.5Confident4 Ų418.8 Ų18.83%0.03311%0.11CC..PPolyproline II helixtrans-77.7136.1170.100000111.4C5 P6 L8 Y176 Y703C5-A245 WeakPolarHBondContact O-CB 3.45Å; P6-A245 PolarHBondContact O-N 2.89Å; P6-A245 VanDerWaalsContact O-N 3.09Å; L8-A245 HydrophobicContact CB-CB 4.41Å; Y176-A245 HydrophobicContact CD2-CB 4.41Å; Y176-A245 HydrophobicContact CE2-CB 3.48Å; Y176-A245 VanDerWaalsContact CE2-CB 3.48Å; Y176-A245 WeakPolarHBondContact OH-CB 3.26Å; A245-Y703 VanDerWaalsContact O-CE1 3.23Å; A245-Y703 WeakPolarHBondContact O-CE1 3.35Å; A245-Y703 PolarHBondContact O-OH 3.12Å; A245-Y703 VanDerWaalsContact O-OH 3.08Å
246P91.9Very high89.7Confident0 Ų017.1 Ų17.10%010%0.102CC..PPolyproline II helixtrans-66.1138.1-178.928.5-36.7000112.5F178 P248 T251 V253 F268 L270F178-P246 HydrophobicContact CE2-CG 4.22Å; F178-P246 HydrophobicContact CZ-CG 4.02Å; P246-P248 WeakPolarHBondContact O-CD 3.45Å; P246-T251 WeakPolarHBondContact CB-O 3.12Å; P246-V253 HydrophobicContact CB-CG2 4.17Å; P246-F268 VanDerWaalsContact CB-O 3.31Å; P246-F268 WeakPolarHBondContact CB-O 3.31Å; P246-F268 HydrophobicContact CG-CB 3.95Å; P246-L270 HydrophobicContact CG-CD1 4.29Å; P246-L270 HydrophobicContact CG-CG 4.17Å
247I89.4Confident89.5Confident28 Ų2817.5 Ų17.514%0.14411%0.105CC..PPolyproline II helixtrans-75.8123.3172.3-58.5163.7000109.1G249 C250 T251 F702 Y703I247-G249 PolarHBondContact O-N 2.91Å; I247-C250 HydrophobicContact CB-CB 3.97Å; I247-C250 HydrophobicContact CG2-CB 3.69Å; I247-C250 PolarHBondContact O-N 3.17Å; I247-C250 VanDerWaalsContact O-N 3.08Å; I247-T251 HydrophobicContact CB-CG2 4.49Å; I247-T251 HydrophobicContact CD1-CG2 4.22Å; I247-T251 PolarHBondContact N-OG1 3.07Å; I247-T251 PolarHBondContact O-N 2.65Å; I247-F702 HydrophobicContact CD1-CB 3.48Å; I247-F702 VanDerWaalsContact CD1-CB 3.48Å; I247-F702 HydrophobicContact CD1-CD1 4.37Å; I247-F702 HydrophobicContact CD1-CD2 4.4Å; I247-F702 HydrophobicContact CD1-CG 3.85Å; I247-Y703 HydrophobicContact CD1-CD2 4.26Å; I247-Y703 HydrophobicContact CD1-CE2 3.52Å; I247-Y703 HydrophobicContact CG1-CE2 4.06Å
248P88.4Confident88.9Confident38 Ų3818.6 Ų18.625%0.24711%0.11CC..THydrogen-bonded Turntrans-54.5124177.8-25.734000113.1I4 P246 C250 L270I4-P248 HydrophobicContact CD1-CG 4Å; P246-P248 WeakPolarHBondContact O-CD 3.45Å; P248-C250 PolarHBondContact O-N 3.33Å; P248-L270 WeakPolarHBondContact CA-O 3.3Å; P248-L270 HydrophobicContact CB-CB 3.97Å; P248-L270 HydrophobicContact CG-CB 3.93Å; P248-L270 HydrophobicContact CG-CD1 3.94Å
249G86.4Confident88Confident26 Ų2618.3 Ų18.327%0.26811%0.109SC..THydrogen-bonded Turntrans74.2-2.1-179.100000116.4I247 L270 L567I247-G249 PolarHBondContact O-N 2.91Å; G249-L270 PolarHBondContact N-O 3.4Å; G249-L567 VanDerWaalsContact C-CD2 3.42Å
250C88.2Confident87.1Confident63 Ų6324 Ų2443%0.42614%0.138SC..THydrogen-bonded Turntrans-119.3-35.7-175-55.80000114.4I247 P248 Q568I247-C250 HydrophobicContact CB-CB 3.97Å; I247-C250 HydrophobicContact CG2-CB 3.69Å; I247-C250 PolarHBondContact O-N 3.17Å; I247-C250 VanDerWaalsContact O-N 3.08Å; P248-C250 PolarHBondContact O-N 3.33Å; C250-Q568 PolarHBondContact O-N 3.34Å
251T90Very high86Confident3 Ų329.3 Ų29.32%0.01817%0.171CC..EExtended strand (participates in β ladder)trans-138141.3-173.661.50000114.1P246 I247 Q568 V570P246-T251 WeakPolarHBondContact CB-O 3.12Å; I247-T251 HydrophobicContact CB-CG2 4.49Å; I247-T251 HydrophobicContact CD1-CG2 4.22Å; I247-T251 PolarHBondContact N-OG1 3.07Å; I247-T251 PolarHBondContact O-N 2.65Å; T251-Q568 VanDerWaalsContact CA-O 3.28Å; T251-Q568 WeakPolarHBondContact CA-O 3.35Å; T251-V570 HydrophobicContact CG2-CG2 4.06Å
252C93.1Very high84.9Confident3 Ų328.5 Ų28.52%0.0217%0.166CC..EExtended strand (participates in β ladder)trans-98.6132.4153.3162.20000108.9Y254 C267 F268 A269 L567 Q568 V570C252-Y254 HydrophobicContact CB-CE2 4.25Å; C252-Y254 VanDerWaalsContact SG-CE1 3.59Å; C252-Y254 WeakPolarHBondContact SG-CE2 3.45Å; C252-C267 WeakPolarHBondContact CB-SG 3.31Å; C252-C267 WeakPolarHBondContact SG-CB 3.44Å; C252-C267 CovalentContact SG-SG 2.04Å; C252-C267 PolarHBondContact SG-SG 2.86Å; C252-F268 CarbonylContact C-O 3.49Å; C252-F268 WeakPolarHBondContact CA-O 3.24Å; C252-A269 HydrophobicContact CB-CB 4.12Å; C252-L567 HydrophobicContact CB-CD1 4.12Å; C252-Q568 PolarHBondContact N-O 3.04Å; C252-V570 PolarHBondContact O-N 3.29Å
253V92.4Very high84Confident0 Ų028.2 Ų28.20%017%0.168CC..EExtended strand (participates in β ladder)trans-98114.6170.7178.10000109.1P244 P246 C267 F268 V570 F572P244-V253 HydrophobicContact CG-CG1 4.06Å; P244-V253 HydrophobicContact CG-CG2 4.23Å; P246-V253 HydrophobicContact CB-CG2 4.17Å; V253-C267 CarbonylContact O-C 3.49Å; V253-C267 WeakPolarHBondContact O-CA 3.27Å; V253-F268 PolarHBondContact N-O 3.11Å; V253-F268 PolarHBondContact O-N 3.14Å; V253-V570 CarbonylContact C-O 3.6Å; V253-V570 WeakPolarHBondContact CA-O 3.45Å; V253-V570 HydrophobicContact CG2-CB 4.34Å; V253-F572 HydrophobicContact CG1-CB 4.26Å
254Y92.8Very high83.7Confident43 Ų4331.1 Ų31.117%0.16919%0.188CC..EExtended strand (participates in β ladder)trans-89.9100175.1-70.7-72.6000110.4C252 S256 P265 C267 K564 P569 V570 D571 F572C252-Y254 HydrophobicContact CB-CE2 4.25Å; C252-Y254 VanDerWaalsContact SG-CE1 3.59Å; C252-Y254 WeakPolarHBondContact SG-CE2 3.45Å; Y254-S256 PolarHBondContact O-N 2.97Å; Y254-P265 HydrophobicContact CD1-CG 4.02Å; Y254-P265 HydrophobicContact CG-CG 4.48Å; Y254-C267 HydrophobicContact CD1-CB 3.82Å; Y254-C267 HydrophobicContact CE1-CB 3.6Å; Y254-K564 WeakPolarHBondContact OH-CE 3.42Å; Y254-P569 HydrophobicContact CD2-CB 4.26Å; Y254-P569 HydrophobicContact CE2-CB 3.9Å; Y254-V570 PolarHBondContact N-O 3.43Å; Y254-D571 WeakPolarHBondContact CB-OD1 3.43Å; Y254-F572 PolarHBondContact O-N 3.29Å
255L91.3Very high83.7Confident0 Ų032.7 Ų32.70%020%0.199CC..EExtended strand (participates in β ladder)trans-84.6103.4-179.4-173.962.3000111L185 L240 A243 V257 P265 L266 F268 F572L185-L255 HydrophobicContact CD2-CD2 4.46Å; L240-L255 HydrophobicContact CD2-CD1 4.19Å; L240-L255 HydrophobicContact CD2-CD2 3.92Å; L240-L255 HydrophobicContact CD2-CG 4.27Å; A243-L255 HydrophobicContact CB-CD1 3.95Å; L255-V257 HydrophobicContact CG-CG2 4.41Å; L255-V257 PolarHBondContact O-N 3.29Å; L255-P265 WeakPolarHBondContact O-CA 3.41Å; L255-P265 WeakPolarHBondContact O-CB 3.47Å; L255-L266 HydrophobicContact CB-CB 4.39Å; L255-L266 PolarHBondContact N-O 3.49Å; L255-L266 PolarHBondContact O-N 3.37Å; L255-F268 HydrophobicContact CB-CD2 4.18Å; L255-F268 HydrophobicContact CB-CE2 3.78Å; L255-F268 HydrophobicContact CD2-CE2 3.67Å; L255-F268 HydrophobicContact CD2-CZ 4.26Å; L255-F268 HydrophobicContact CG-CE2 4.39Å; L255-F572 HydrophobicContact CD1-CD1 3.7Å; L255-F572 HydrophobicContact CD1-CE1 4.48Å
256S88.9Confident83.8Confident11 Ų1133.3 Ų33.38%0.07720%0.201CC..EExtended strand (participates in β ladder)trans-78.888.2170.9-64.60000109.6Y254 F572 D573 C574Y254-S256 PolarHBondContact O-N 2.97Å; S256-F572 PolarHBondContact N-O 3.26Å; S256-D573 WeakPolarHBondContact CB-OD1 3.2Å; S256-C574 PolarHBondContact O-N 2.88Å; S256-C574 VanDerWaalsContact O-N 3.13Å
257V85.4Confident83.9Confident8 Ų834.5 Ų34.55%0.04821%0.21CC..SBendtrans-70.3-24.3174.3-137.40000112.2L185 W236 L240 L255 L266 F613L185-V257 HydrophobicContact CD1-CB 4.48Å; L185-V257 HydrophobicContact CD1-CG1 3.4Å; L185-V257 HydrophobicContact CD1-CG2 4.24Å; W236-V257 HydrophobicContact CH2-CG1 4.47Å; W236-V257 HydrophobicContact CZ2-CG1 3.75Å; W236-V257 WeakPolarHBondContact CZ2-O 3.31Å; W236-V257 PolarHBondContact NE1-O 3.37Å; L240-V257 HydrophobicContact CD1-CG1 4.25Å; L240-V257 HydrophobicContact CD2-CG1 3.69Å; L255-V257 HydrophobicContact CG-CG2 4.41Å; L255-V257 PolarHBondContact O-N 3.29Å; V257-L266 HydrophobicContact CG2-CD1 3.75Å; V257-L266 HydrophobicContact CG2-CG 3.9Å; V257-F613 WeakPolarHBondContact O-CZ 3.32Å
258Q77.8Confident84.1Confident27 Ų2733.2 Ų33.213%0.12620%0.203CC..SBendtrans-139.3155.8-173.566.9-171.6-17.300109.4L262 F613Q258-L262 HydrophobicContact CB-CB 4.36Å; Q258-L262 HydrophobicContact CG-CB 4.28Å; Q258-F613 HydrophobicContact CB-CD1 4.22Å; Q258-F613 HydrophobicContact CB-CE1 3.29Å; Q258-F613 HydrophobicContact CB-CZ 3.51Å; Q258-F613 HydrophobicContact CG-CE1 4.49Å
259P70Confident84.3Confident19 Ų1931.6 Ų31.612%0.12319%0.193CC..  trans-58.2146.9172.7-17.225.4000111.8T261 L262 W575P259-T261 PolarHBondContact O-N 2.94Å; P259-T261 VanDerWaalsContact O-N 3.07Å; P259-L262 HydrophobicContact CB-CD1 3.67Å; P259-L262 HydrophobicContact CG-CD1 3.67Å; P259-L262 WeakPolarHBondContact O-CA 3.26Å; P259-L262 WeakPolarHBondContact O-CB 3.26Å; P259-L262 PolarHBondContact O-N 2.95Å; P259-W575 HydrophobicContact CG-CD2 3.76Å; P259-W575 HydrophobicContact CG-CE3 4.45Å; P259-W575 HydrophobicContact CG-CG 3.82Å; P259-W575 HydrophobicContact CG-CZ2 4.26Å
260Q68.5Low84.6Confident163 Ų16331.3 Ų31.376%0.76219%0.185SC*.THydrogen-bonded Turntrans-59.7-24-175.7-65177.1-12.500113.9L262Q260-L262 PolarHBondContact O-N 2.95Å
261T66.2Low84.8Confident112 Ų11229 Ų2969%0.68717%0.17SC*.THydrogen-bonded Turntrans-72.4-11.6172.749.10000113.8P259 K617P259-T261 PolarHBondContact O-N 2.94Å; P259-T261 VanDerWaalsContact O-N 3.07Å; T261-K617 PolarHBondContact O-NZ 3.19Å
262L67.1Low84.7Confident4 Ų431.1 Ų31.12%0.02118%0.181CC..THydrogen-bonded Turntrans-98.2-33.9178.5-71.185.2000112.7Q258 P259 Q260 F613 E614 K617Q258-L262 HydrophobicContact CB-CB 4.36Å; Q258-L262 HydrophobicContact CG-CB 4.28Å; P259-L262 HydrophobicContact CB-CD1 3.67Å; P259-L262 HydrophobicContact CG-CD1 3.67Å; P259-L262 WeakPolarHBondContact O-CA 3.26Å; P259-L262 WeakPolarHBondContact O-CB 3.26Å; P259-L262 PolarHBondContact O-N 2.95Å; Q260-L262 PolarHBondContact O-N 2.95Å; L262-F613 HydrophobicContact CD2-CB 4.43Å; L262-F613 HydrophobicContact CD2-CD1 3.7Å; L262-F613 HydrophobicContact CD2-CG 4.43Å; L262-E614 WeakPolarHBondContact CD1-OE1 3.42Å; L262-E614 HydrophobicContact CD2-CG 4.1Å; L262-K617 HydrophobicContact CB-CB 4.39Å; L262-K617 HydrophobicContact CB-CD 3.97Å; L262-K617 HydrophobicContact CB-CG 4.19Å; L262-K617 HydrophobicContact CD2-CB 4.03Å; L262-K617 HydrophobicContact CD2-CD 4.15Å; L262-K617 HydrophobicContact CG-CB 4.46Å; L262-K617 HydrophobicContact CG-CD 3.82Å; L262-K617 HydrophobicContact CG-CG 4.44Å; L262-K617 WeakPolarHBondContact O-CE 3.4Å; L262-K617 WeakPolarHBondContact O-CG 3.4Å
263G70.2Confident84.4Confident26 Ų2635.5 Ų35.527%0.26820%0.201SC..  trans170.3-177.9170.200000113.2
264S82.8Confident84.1Confident63 Ų6335.9 Ų35.944%0.44120%0.203SC..  trans-66.3151-178.743.90000113.5
265P87.5Confident84Confident45 Ų4534.3 Ų34.329%0.29220%0.197SC..  trans-72.6157.2170.531.5-35.3000111.5Y254 L255Y254-P265 HydrophobicContact CD1-CG 4.02Å; Y254-P265 HydrophobicContact CG-CG 4.48Å; L255-P265 WeakPolarHBondContact O-CA 3.41Å; L255-P265 WeakPolarHBondContact O-CB 3.47Å
266L92Very high84.1Confident17 Ų1734.3 Ų34.39%0.08920%0.197CC..EExtended strand (participates in β ladder)trans-84.2115.1173.1-56.3176.6000109.1T181 L185 L255 V257 F268T181-L266 HydrophobicContact CG2-CB 3.99Å; T181-L266 HydrophobicContact CG2-CD1 4.33Å; T181-L266 HydrophobicContact CG2-CD2 4.36Å; T181-L266 HydrophobicContact CG2-CG 4.45Å; L185-L266 HydrophobicContact CB-CD1 3.98Å; L185-L266 HydrophobicContact CD1-CD1 4.31Å; L255-L266 HydrophobicContact CB-CB 4.39Å; L255-L266 PolarHBondContact N-O 3.49Å; L255-L266 PolarHBondContact O-N 3.37Å; V257-L266 HydrophobicContact CG2-CD1 3.75Å; V257-L266 HydrophobicContact CG2-CG 3.9Å; L266-F268 HydrophobicContact CB-CD2 4.48Å; L266-F268 HydrophobicContact CB-CE2 3.74Å; L266-F268 HydrophobicContact CB-CZ 4.19Å; L266-F268 HydrophobicContact CD1-CZ 4.34Å
267C92.9Very high84.2Confident26 Ų2637.2 Ų37.218%0.17622%0.216CC..EExtended strand (participates in β ladder)trans-78.1131.6168.7176.30000110.3C252 V253 Y254 L560C252-C267 WeakPolarHBondContact CB-SG 3.31Å; C252-C267 WeakPolarHBondContact SG-CB 3.44Å; C252-C267 CovalentContact SG-SG 2.04Å; C252-C267 PolarHBondContact SG-SG 2.86Å; V253-C267 CarbonylContact O-C 3.49Å; V253-C267 WeakPolarHBondContact O-CA 3.27Å; Y254-C267 HydrophobicContact CD1-CB 3.82Å; Y254-C267 HydrophobicContact CE1-CB 3.6Å; C267-L560 HydrophobicContact CB-CD2 3.88Å; C267-L560 WeakPolarHBondContact SG-CD2 3.45Å
268F94.5Very high84.5Confident0 Ų038.1 Ų38.10%022%0.22CC..EExtended strand (participates in β ladder)trans-112.5124.1164.9-61.1-91.2000108.2L8 F178 T181 F182 P246 C252 V253 L255 L266L8-F268 HydrophobicContact CD1-CB 4.29Å; L8-F268 HydrophobicContact CD1-CD1 3.95Å; L8-F268 HydrophobicContact CD1-CE1 4.46Å; L8-F268 HydrophobicContact CD1-CG 4.08Å; L8-F268 HydrophobicContact CD2-CD1 4.24Å; L8-F268 HydrophobicContact CD2-CD2 3.74Å; L8-F268 HydrophobicContact CD2-CE1 4.36Å; L8-F268 HydrophobicContact CD2-CE2 3.89Å; L8-F268 HydrophobicContact CD2-CG 3.92Å; L8-F268 HydrophobicContact CD2-CZ 4.19Å; F178-F268 HydrophobicContact CB-CD1 4.25Å; F178-F268 HydrophobicContact CB-CE1 4.26Å; F178-F268 HydrophobicContact CD1-CD1 4.22Å; F178-F268 AromaticContact CD2-CD1 3.6Å; F178-F268 HydrophobicContact CD2-CD1 3.6Å; F178-F268 HydrophobicContact CD2-CE1 4.27Å; F178-F268 HydrophobicContact CE1-CD1 4.46Å; F178-F268 HydrophobicContact CE2-CB 4.15Å; F178-F268 AromaticContact CE2-CD1 3.89Å; F178-F268 HydrophobicContact CE2-CD1 3.89Å; F178-F268 AromaticContact CG-CD1 3.8Å; F178-F268 HydrophobicContact CG-CD1 3.8Å; F178-F268 HydrophobicContact CG-CE1 4.31Å; F178-F268 HydrophobicContact CZ-CB 4.04Å; F178-F268 HydrophobicContact CZ-CD1 4.3Å; T181-F268 HydrophobicContact CG2-CD1 4.13Å; T181-F268 HydrophobicContact CG2-CE1 3.52Å; T181-F268 HydrophobicContact CG2-CE2 4.3Å; T181-F268 HydrophobicContact CG2-CZ 3.62Å; F182-F268 AromaticContact CD1-CE1 3.88Å; F182-F268 HydrophobicContact CD1-CE1 3.88Å; F182-F268 HydrophobicContact CD1-CZ 4.19Å; F182-F268 HydrophobicContact CE1-CD1 4.38Å; F182-F268 AromaticContact CE1-CE1 3.46Å; F182-F268 HydrophobicContact CE1-CE1 3.46Å; F182-F268 VanDerWaalsContact CE1-CE1 3.46Å; F182-F268 AromaticContact CE1-CZ 3.87Å; F182-F268 HydrophobicContact CE1-CZ 3.87Å; F182-F268 HydrophobicContact CE2-CE1 4.44Å; F182-F268 HydrophobicContact CZ-CD1 4.32Å; F182-F268 AromaticContact CZ-CE1 3.79Å; F182-F268 HydrophobicContact CZ-CE1 3.79Å; P246-F268 VanDerWaalsContact CB-O 3.31Å; P246-F268 WeakPolarHBondContact CB-O 3.31Å; P246-F268 HydrophobicContact CG-CB 3.95Å; C252-F268 CarbonylContact C-O 3.49Å; C252-F268 WeakPolarHBondContact CA-O 3.24Å; V253-F268 PolarHBondContact N-O 3.11Å; V253-F268 PolarHBondContact O-N 3.14Å; L255-F268 HydrophobicContact CB-CD2 4.18Å; L255-F268 HydrophobicContact CB-CE2 3.78Å; L255-F268 HydrophobicContact CD2-CE2 3.67Å; L255-F268 HydrophobicContact CD2-CZ 4.26Å; L255-F268 HydrophobicContact CG-CE2 4.39Å; L266-F268 HydrophobicContact CB-CD2 4.48Å; L266-F268 HydrophobicContact CB-CE2 3.74Å; L266-F268 HydrophobicContact CB-CZ 4.19Å; L266-F268 HydrophobicContact CD1-CZ 4.34Å
269A93.1Very high85.2Confident5 Ų537.4 Ų37.44%0.04122%0.217CC..EExtended strand (participates in β ladder)trans-146.8146.7177.300000109.8F178 C252 L560 Y563 L567F178-A269 WeakPolarHBondContact CE1-O 3.49Å; F178-A269 WeakPolarHBondContact CZ-O 3.37Å; C252-A269 HydrophobicContact CB-CB 4.12Å; A269-L560 HydrophobicContact CB-CD1 3.78Å; A269-Y563 HydrophobicContact CB-CE2 4.42Å; A269-L567 HydrophobicContact CB-CD1 3.69Å
270L92.5Very high86.3Confident19 Ų1937.3 Ų37.310%0.09922%0.216CC..  trans-117137.9177.7-69.4169000110.3Y176 F178 P246 P248 G249 L278Y176-L270 HydrophobicContact CD1-CD1 3.74Å; Y176-L270 HydrophobicContact CE1-CD1 3.57Å; F178-L270 HydrophobicContact CE1-CD2 4.27Å; F178-L270 HydrophobicContact CE2-CD2 4.15Å; F178-L270 HydrophobicContact CE2-CG 4.45Å; F178-L270 HydrophobicContact CZ-CD2 3.65Å; F178-L270 HydrophobicContact CZ-CG 3.89Å; P246-L270 HydrophobicContact CG-CD1 4.29Å; P246-L270 HydrophobicContact CG-CG 4.17Å; P248-L270 WeakPolarHBondContact CA-O 3.3Å; P248-L270 HydrophobicContact CB-CB 3.97Å; P248-L270 HydrophobicContact CG-CB 3.93Å; P248-L270 HydrophobicContact CG-CD1 3.94Å; G249-L270 PolarHBondContact N-O 3.4Å; L270-L278 HydrophobicContact CD2-CD2 3.84Å
271P91.7Very high87.3Confident16 Ų1630.3 Ų30.310%0.10418%0.183CC..  trans-67.2152.9172.728.6-32.7000110.4R275 L276 L278 D558 Y563P271-R275 HydrophobicContact CB-CB 3.77Å; P271-L276 WeakPolarHBondContact CG-O 3.49Å; P271-L278 HydrophobicContact CG-CB 3.94Å; P271-D558 HydrophobicContact CG-CB 4.37Å; P271-Y563 HydrophobicContact CB-CE1 4.24Å; P271-Y563 WeakPolarHBondContact CD-OH 3.44Å
272D88.5Confident88.5Confident47 Ų4725.8 Ų25.825%0.25116%0.155SC..  trans-80.9174.6175.673.4-69.7000112.3S274 R275D272-S274 PolarHBondContact O-N 3.3Å; D272-S274 WeakPolarHBondContact OD2-CA 3.35Å; D272-S274 WeakPolarHBondContact OD2-CB 3.47Å; D272-S274 PolarHBondContact OD2-N 2.9Å; D272-S274 PolarHBondContact OD2-OG 3.24Å; D272-R275 PolarHBondContact O-N 3.44Å; D272-R275 VanDerWaalsContact O-N 3.09Å; D272-R275 VanDerWaalsContact OD1-CD 3.23Å; D272-R275 WeakPolarHBondContact OD1-CD 3.49Å; D272-R275 WeakPolarHBondContact OD1-CG 3.04Å; D272-R275 IonicContact OD1-NE 2.81Å; D272-R275 PolarHBondContact OD1-NE 2.96Å
273Q85.6Confident89.6Confident94 Ų9425.6 Ų25.644%0.43915%0.154SC..THydrogen-bonded Turntrans-62.1-14.8-178.7-71.3-173.9-2.800114.4L539 E541 A542Q273-L539 WeakPolarHBondContact CB-O 3.48Å; Q273-L539 WeakPolarHBondContact CG-O 3.27Å; Q273-L539 PolarHBondContact OE1-O 3.11Å; Q273-E541 PolarHBondContact O-N 3.13Å; Q273-A542 PolarHBondContact O-N 3.16Å
274S86.2Confident90.6Very high8 Ų825.1 Ų25.16%0.05615%0.145CC..THydrogen-bonded Turntrans-91.31179.284.90000114.5D272 R545D272-S274 PolarHBondContact O-N 3.3Å; D272-S274 WeakPolarHBondContact OD2-CA 3.35Å; D272-S274 WeakPolarHBondContact OD2-CB 3.47Å; D272-S274 PolarHBondContact OD2-N 2.9Å; D272-S274 PolarHBondContact OD2-OG 3.24Å; S274-R545 VanDerWaalsContact CB-NH1 3.31Å; S274-R545 PolarHBondContact O-NH1 3.45Å; S274-R545 PolarHBondContact OG-NH1 3.42Å; S274-R545 PolarHBondContact OG-NH2 2.86Å
275R91.6Very high91Very high10 Ų1022.5 Ų22.54%0.03813%0.126CC..SBendtrans-117.1161.4173.8-69.8171.2-176.3-73.6-7.4111.4P271 D272 A542 E554 G557P271-R275 HydrophobicContact CB-CB 3.77Å; D272-R275 PolarHBondContact O-N 3.44Å; D272-R275 VanDerWaalsContact O-N 3.09Å; D272-R275 VanDerWaalsContact OD1-CD 3.23Å; D272-R275 WeakPolarHBondContact OD1-CD 3.49Å; D272-R275 WeakPolarHBondContact OD1-CG 3.04Å; D272-R275 IonicContact OD1-NE 2.81Å; D272-R275 PolarHBondContact OD1-NE 2.96Å; R275-A542 VanDerWaalsContact O-CB 3.25Å; R275-A542 WeakPolarHBondContact O-CB 3.17Å; R275-E554 VanDerWaalsContact CZ-O 3.24Å; R275-E554 PolarHBondContact NH1-O 3.44Å; R275-E554 PolarHBondContact NH2-O 2.9Å; R275-G557 WeakPolarHBondContact CD-O 3.29Å; R275-G557 PolarHBondContact NH1-O 3.39Å; R275-G557 VanDerWaalsContact NH1-O 3.07Å
276L92.7Very high91.3Very high1 Ų120.4 Ų20.41%0.00511%0.113CC..PPolyproline II helixtrans-59.6149.4174.8-69174.3000110.4P271 Y330 V467 R470 I474 A542 I546 I556 D558P271-L276 WeakPolarHBondContact CG-O 3.49Å; L276-Y330 HydrophobicContact CD2-CD1 4.4Å; L276-Y330 HydrophobicContact CD2-CE1 3.62Å; L276-Y330 WeakPolarHBondContact CD2-OH 3.33Å; L276-V467 HydrophobicContact CD1-CG1 3.97Å; L276-R470 HydrophobicContact CD1-CB 4.12Å; L276-I474 HydrophobicContact CD2-CD1 4.04Å; L276-A542 HydrophobicContact CD2-CB 4.43Å; L276-I546 HydrophobicContact CD2-CD1 3.98Å; L276-I556 WeakPolarHBondContact CG-O 3.43Å; L276-I556 PolarHBondContact N-O 2.97Å; L276-D558 HydrophobicContact CB-CB 4.27Å; L276-D558 VanDerWaalsContact O-CB 3.27Å; L276-D558 WeakPolarHBondContact O-CB 3.38Å
277P91Very high91.4Very high71 Ų7120 Ų2046%0.46111%0.11SC..PPolyproline II helixtrans-56.4140.8172.6-23.833.9000111.3I279 Y330 R470P277-I279 PolarHBondContact O-N 3.32Å; P277-Y330 VanDerWaalsContact CD-CE2 3.45Å; P277-Y330 HydrophobicContact CG-CD2 4.12Å; P277-Y330 HydrophobicContact CG-CE2 3.66Å; P277-R470 PolarHBondContact O-NH1 3.47Å
278L93.2Very high91.2Very high27 Ų2724.9 Ų24.914%0.14113%0.131CC..PPolyproline II helixtrans-61.3126.1-179.4178.263.1000111.9F178 L270 P271F178-L278 HydrophobicContact CD1-CD2 3.65Å; F178-L278 HydrophobicContact CE1-CD2 3.38Å; F178-L278 HydrophobicContact CZ-CD2 4.13Å; L270-L278 HydrophobicContact CD2-CD2 3.84Å; P271-L278 HydrophobicContact CG-CB 3.94Å
279I92.4Very high91Very high12 Ų1226.8 Ų26.86%0.06214%0.141CC..  trans-121.7102.8169.4-50-179.6000109.5P277 F281 V283 A327 D558 K559P277-I279 PolarHBondContact O-N 3.32Å; I279-F281 HydrophobicContact CG2-CD1 3.89Å; I279-F281 HydrophobicContact CG2-CD2 3.53Å; I279-F281 HydrophobicContact CG2-CE1 3.76Å; I279-F281 HydrophobicContact CG2-CE2 3.37Å; I279-F281 HydrophobicContact CG2-CG 3.78Å; I279-F281 HydrophobicContact CG2-CZ 3.49Å; I279-F281 VanDerWaalsContact CG2-CZ 3.49Å; I279-F281 WeakPolarHBondContact CG2-O 3.44Å; I279-F281 PolarHBondContact O-N 3.48Å; I279-V283 HydrophobicContact CB-CG2 4.27Å; I279-V283 HydrophobicContact CD1-CG2 3.57Å; I279-V283 HydrophobicContact CG2-CG2 3.87Å; I279-A327 HydrophobicContact CD1-CB 3.66Å; I279-D558 PolarHBondContact N-OD2 3.44Å; I279-K559 WeakPolarHBondContact O-CE 3.35Å; I279-K559 PolarHBondContact O-NZ 3.47Å
280D91.8Very high90.9Very high18 Ų1827.1 Ų27.110%0.09614%0.141CC..  trans-88.542.8176.8-166.421.1000111.7P177 F178 A179 T180 T181P177-D280 WeakPolarHBondContact O-CB 3.44Å; F178-D280 WeakPolarHBondContact CA-OD2 3.32Å; A179-D280 PolarHBondContact N-OD2 3Å; T180-D280 WeakPolarHBondContact CB-OD1 3.29Å; T180-D280 WeakPolarHBondContact CG2-O 3.47Å; T180-D280 WeakPolarHBondContact CG2-OD1 3.46Å; T180-D280 PolarHBondContact N-OD2 2.93Å; T180-D280 VanDerWaalsContact OG1-CG 3.22Å; T180-D280 PolarHBondContact OG1-OD1 3.46Å; T180-D280 PolarHBondContact OG1-OD2 3.28Å; T180-D280 VanDerWaalsContact OG1-OD2 3.11Å; T181-D280 PolarHBondContact N-OD2 2.87Å; T181-D280 VanDerWaalsContact N-OD2 3.16Å; T181-D280 PolarHBondContact OG1-OD2 3.44Å
281F90.8Very high90.8Very high16 Ų1627.7 Ų27.77%0.0715%0.152CC..SBendtrans-162.4157.9176.651.8-94.6000110.8A179 I279 V283 L320 L323 S324A179-F281 HydrophobicContact CB-CD1 4.27Å; I279-F281 HydrophobicContact CG2-CD1 3.89Å; I279-F281 HydrophobicContact CG2-CD2 3.53Å; I279-F281 HydrophobicContact CG2-CE1 3.76Å; I279-F281 HydrophobicContact CG2-CE2 3.37Å; I279-F281 HydrophobicContact CG2-CG 3.78Å; I279-F281 HydrophobicContact CG2-CZ 3.49Å; I279-F281 VanDerWaalsContact CG2-CZ 3.49Å; I279-F281 WeakPolarHBondContact CG2-O 3.44Å; I279-F281 PolarHBondContact O-N 3.48Å; F281-V283 PolarHBondContact O-N 3.45Å; F281-L320 HydrophobicContact CB-CD2 3.81Å; F281-L320 HydrophobicContact CD1-CD2 4.26Å; F281-L320 HydrophobicContact CD2-CD2 4.45Å; F281-L320 HydrophobicContact CG-CD2 3.95Å; F281-L323 HydrophobicContact CE1-CB 4.27Å; F281-L323 HydrophobicContact CE1-CD1 4.32Å; F281-L323 HydrophobicContact CE2-CB 3.76Å; F281-L323 HydrophobicContact CZ-CB 3.5Å; F281-L323 VanDerWaalsContact CZ-CB 3.5Å; F281-L323 HydrophobicContact CZ-CD1 4.35Å; F281-S324 WeakPolarHBondContact CD2-OG 3.4Å; F281-S324 WeakPolarHBondContact CE2-OG 3.36Å
282P89.8Confident90.7Very high17 Ų1728 Ų2811%0.1115%0.153CC..  trans-64.8123.6-178.621.5-32.5000113.8N284 L285 S324 D466 M656P282-N284 VanDerWaalsContact CB-OD1 3.25Å; P282-N284 WeakPolarHBondContact CB-OD1 3.49Å; P282-L285 HydrophobicContact CB-CB 4.26Å; P282-L285 HydrophobicContact CG-CB 4.21Å; P282-L285 WeakPolarHBondContact O-CB 3.28Å; P282-S324 PolarHBondContact O-OG 3.06Å; P282-D466 WeakPolarHBondContact CA-OD2 3.42Å; P282-M656 HydrophobicContact CG-CE 4.43Å
283V91.5Very high90.6Very high0 Ų033 Ų330%017%0.168CC..SBendtrans-80.7-30.9176-1760000111.2I279 F281 L285 P286 L328 D466 I469 R470I279-V283 HydrophobicContact CB-CG2 4.27Å; I279-V283 HydrophobicContact CD1-CG2 3.57Å; I279-V283 HydrophobicContact CG2-CG2 3.87Å; F281-V283 PolarHBondContact O-N 3.45Å; V283-L285 PolarHBondContact O-N 3Å; V283-P286 WeakPolarHBondContact O-CD 3.47Å; V283-L328 HydrophobicContact CG1-CD1 4.44Å; V283-L328 HydrophobicContact CG1-CD2 3.68Å; V283-L328 HydrophobicContact CG1-CG 3.88Å; V283-D466 WeakPolarHBondContact CA-OD1 3.27Å; V283-D466 HydrophobicContact CB-CB 4.07Å; V283-D466 WeakPolarHBondContact CB-OD1 3.26Å; V283-D466 HydrophobicContact CG2-CB 4.12Å; V283-D466 VanDerWaalsContact N-CG 3.28Å; V283-D466 PolarHBondContact N-OD1 2.84Å; V283-D466 PolarHBondContact N-OD2 2.97Å; V283-I469 HydrophobicContact CG1-CG2 4.48Å; V283-R470 HydrophobicContact CG1-CG 4.34Å
284N91.3Very high90.9Very high15 Ų1531.4 Ų31.48%0.0816%0.159CC..SBendtrans-62.2-21.4175.180.4-52.4000114.1P282 P286 F287 E288 L418 D466 I469P282-N284 VanDerWaalsContact CB-OD1 3.25Å; P282-N284 WeakPolarHBondContact CB-OD1 3.49Å; N284-P286 VanDerWaalsContact C-CD 3.45Å; N284-F287 WeakPolarHBondContact O-CB 3.29Å; N284-F287 WeakPolarHBondContact O-CD2 3.45Å; N284-F287 PolarHBondContact O-N 3.3Å; N284-E288 PolarHBondContact ND2-OE2 3.37Å; N284-E288 PolarHBondContact O-N 2.93Å; N284-L418 HydrophobicContact CB-CD2 4.02Å; N284-D466 PolarHBondContact N-OD1 3.26Å; N284-I469 HydrophobicContact CB-CD1 3.76Å
285L91.4Very high91.2Very high8 Ų831 Ų314%0.04216%0.157CC..Hα-helixtrans-47.3-44.3-170.6-18068.8000116.3P282 V283 F287 E288 I289 L320 M656P282-L285 HydrophobicContact CB-CB 4.26Å; P282-L285 HydrophobicContact CG-CB 4.21Å; P282-L285 WeakPolarHBondContact O-CB 3.28Å; V283-L285 PolarHBondContact O-N 3Å; L285-F287 VanDerWaalsContact C-N 3.31Å; L285-F287 PolarHBondContact O-N 2.88Å; L285-E288 WeakPolarHBondContact O-CB 3.18Å; L285-E288 PolarHBondContact O-N 3.24Å; L285-I289 HydrophobicContact CD1-CD1 3.7Å; L285-I289 HydrophobicContact CD1-CG1 4.17Å; L285-I289 HydrophobicContact CD2-CD1 4.44Å; L285-I289 HydrophobicContact CG-CD1 3.75Å; L285-I289 WeakPolarHBondContact O-CG1 3.4Å; L285-I289 PolarHBondContact O-N 3.13Å; L285-I289 VanDerWaalsContact O-N 3.13Å; L285-L320 HydrophobicContact CD2-CB 3.71Å; L285-M656 HydrophobicContact CD1-CE 3.61Å; L285-M656 HydrophobicContact CD1-SD 4.19Å; L285-M656 HydrophobicContact CD2-CE 3.4Å; L285-M656 VanDerWaalsContact CD2-CE 3.4Å; L285-M656 HydrophobicContact CG-CE 4.13Å
286P93.8Very high91.2Very high1 Ų131.1 Ų31.11%0.00616%0.157CC..Hα-helixtrans-63.4-38.3180-20.934.6000112.2V283 N284 E288 I289 M290 T295 T321 L325 L328V283-P286 WeakPolarHBondContact O-CD 3.47Å; N284-P286 VanDerWaalsContact C-CD 3.45Å; P286-E288 VanDerWaalsContact C-N 3.28Å; P286-E288 PolarHBondContact O-N 2.99Å; P286-I289 PolarHBondContact O-N 2.9Å; P286-M290 PolarHBondContact O-N 2.84Å; P286-T295 VanDerWaalsContact C-OG1 3.32Å; P286-T295 HydrophobicContact CB-CG2 3.73Å; P286-T295 PolarHBondContact O-OG1 2.71Å; P286-T321 HydrophobicContact CB-CG2 4.1Å; P286-T321 HydrophobicContact CG-CG2 4.13Å; P286-L325 HydrophobicContact CB-CD2 4.04Å; P286-L325 HydrophobicContact CB-CG 4.21Å; P286-L325 HydrophobicContact CG-CD2 4.26Å; P286-L325 HydrophobicContact CG-CG 4.07Å; P286-L328 HydrophobicContact CG-CD1 4.41Å
287F93Very high91Very high9 Ų933.5 Ų33.54%0.03917%0.166CC..Hα-helixtrans-68.3-28.1178.1-53.8-81.9000112.5N284 L285 G291 I292 T295 I299 L328 L414 L418 I469N284-F287 WeakPolarHBondContact O-CB 3.29Å; N284-F287 WeakPolarHBondContact O-CD2 3.45Å; N284-F287 PolarHBondContact O-N 3.3Å; L285-F287 VanDerWaalsContact C-N 3.31Å; L285-F287 PolarHBondContact O-N 2.88Å; F287-G291 WeakPolarHBondContact O-CA 3.49Å; F287-G291 PolarHBondContact O-N 2.8Å; F287-G291 VanDerWaalsContact O-N 3.1Å; F287-I292 HydrophobicContact CD1-CG1 4.41Å; F287-T295 HydrophobicContact CD1-CG2 3.51Å; F287-T295 HydrophobicContact CD2-CG2 4.43Å; F287-T295 HydrophobicContact CE1-CG2 3.47Å; F287-T295 VanDerWaalsContact CE1-CG2 3.47Å; F287-T295 HydrophobicContact CE2-CG2 4.4Å; F287-T295 HydrophobicContact CG-CG2 4.01Å; F287-T295 HydrophobicContact CZ-CG2 3.94Å; F287-I299 HydrophobicContact CE1-CD1 4.46Å; F287-I299 HydrophobicContact CZ-CD1 4.16Å; F287-L328 HydrophobicContact CE2-CD1 3.61Å; F287-L328 HydrophobicContact CE2-CD2 4.08Å; F287-L328 HydrophobicContact CZ-CD1 3.91Å; F287-L328 HydrophobicContact CZ-CD2 4.32Å; F287-L414 HydrophobicContact CD1-CD1 4.16Å; F287-L414 HydrophobicContact CE1-CD1 3.48Å; F287-L414 VanDerWaalsContact CE1-CD1 3.48Å; F287-L414 HydrophobicContact CZ-CD1 3.7Å; F287-L418 HydrophobicContact CB-CD1 3.85Å; F287-L418 HydrophobicContact CG-CD1 4.32Å; F287-I469 HydrophobicContact CE2-CG2 4.01Å
288E89.4Confident91.1Very high128 Ų12830.1 Ų30.160%0.59815%0.145SC*.Hα-helixtrans-73.8-42.2175.8-167.1174.2153.200111.6N284 L285 P286N284-E288 PolarHBondContact ND2-OE2 3.37Å; N284-E288 PolarHBondContact O-N 2.93Å; L285-E288 WeakPolarHBondContact O-CB 3.18Å; L285-E288 PolarHBondContact O-N 3.24Å; P286-E288 VanDerWaalsContact C-N 3.28Å; P286-E288 PolarHBondContact O-N 2.99Å
289I90.6Very high91.1Very high41 Ų4129 Ų2921%0.2114%0.139CC..Hα-helixtrans-78.1-43-178-62161.5000112.7L285 P286 K317 T321 L385L285-I289 HydrophobicContact CD1-CD1 3.7Å; L285-I289 HydrophobicContact CD1-CG1 4.17Å; L285-I289 HydrophobicContact CD2-CD1 4.44Å; L285-I289 HydrophobicContact CG-CD1 3.75Å; L285-I289 WeakPolarHBondContact O-CG1 3.4Å; L285-I289 PolarHBondContact O-N 3.13Å; L285-I289 VanDerWaalsContact O-N 3.13Å; P286-I289 PolarHBondContact O-N 2.9Å; I289-K317 HydrophobicContact CD1-CD 3.89Å; I289-K317 HydrophobicContact CD1-CG 3.57Å; I289-K317 HydrophobicContact CG1-CD 4.35Å; I289-T321 WeakPolarHBondContact CD1-OG1 3.14Å; I289-L385 HydrophobicContact CG2-CB 4.1Å; I289-L385 HydrophobicContact CG2-CD2 4.17Å
290M90.7Very high91.1Very high12 Ų1228.8 Ų28.86%0.05914%0.137CC..Hα-helixtrans-112.4-3-170.4-61-168.677.200113.9P286 K294 L298 A383 L385 L390P286-M290 PolarHBondContact O-N 2.84Å; M290-K294 HydrophobicContact CB-CB 4.16Å; M290-K294 HydrophobicContact CE-CB 4.29Å; M290-K294 WeakPolarHBondContact O-CB 3.12Å; M290-L298 HydrophobicContact CE-CD1 4.09Å; M290-L298 HydrophobicContact SD-CD1 3.5Å; M290-L298 VanDerWaalsContact SD-CD1 3.5Å; M290-A383 HydrophobicContact CE-CB 3.78Å; M290-A383 HydrophobicContact SD-CB 4.24Å; M290-L385 HydrophobicContact CG-CD2 4.08Å; M290-L385 HydrophobicContact SD-CD2 3.72Å; M290-L390 HydrophobicContact CE-CB 4.3Å
291G89.6Confident91.2Very high31 Ų3127.9 Ų27.932%0.3213%0.133SC..Hα-helixtrans70.1168-171.700000113.2F287 R293 T295F287-G291 WeakPolarHBondContact O-CA 3.49Å; F287-G291 PolarHBondContact O-N 2.8Å; F287-G291 VanDerWaalsContact O-N 3.1Å; G291-R293 PolarHBondContact O-N 3.12Å; G291-T295 VanDerWaalsContact O-CB 3.27Å; G291-T295 WeakPolarHBondContact O-CB 3.44Å; G291-T295 PolarHBondContact O-N 3.42Å; G291-T295 PolarHBondContact O-OG1 3.11Å
292I89.7Confident91.4Very high23 Ų2327.3 Ų27.312%0.11813%0.13CC..Hα-helixtrans-66.7-42.1-169.1-60.1173.9000112.5F287 F296 I411 R415 L418F287-I292 HydrophobicContact CD1-CG1 4.41Å; I292-F296 HydrophobicContact CG2-CD2 3.73Å; I292-F296 HydrophobicContact CG2-CE2 3.68Å; I292-F296 WeakPolarHBondContact O-CD2 3.34Å; I292-F296 PolarHBondContact O-N 3.13Å; I292-I411 HydrophobicContact CG2-CG1 4.36Å; I292-I411 HydrophobicContact CG2-CG2 4.42Å; I292-R415 HydrophobicContact CD1-CG 3.65Å; I292-L418 HydrophobicContact CD1-CD1 4.01Å; I292-L418 HydrophobicContact CG1-CD1 4.08Å
293R87.3Confident91.5Very high150 Ų15026.8 Ų26.857%0.56613%0.126SC*.Hα-helixtrans-65.3-52.8-176.7-78.9178.6163.1177-6.6112.8G291 T295 F296 R297 D430G291-R293 PolarHBondContact O-N 3.12Å; R293-T295 PolarHBondContact O-N 3.01Å; R293-F296 PolarHBondContact O-N 3.11Å; R293-R297 PolarHBondContact O-N 2.57Å; R293-R297 VanDerWaalsContact O-N 3.11Å; R293-D430 IonicContact CZ-OD2 2.69Å; R293-D430 VanDerWaalsContact NH1-CG 3.26Å; R293-D430 IonicContact NH1-OD2 3.22Å; R293-D430 PolarHBondContact NH1-OD2 3.16Å
294K91Very high91.6Very high62 Ų6227.2 Ų27.227%0.2713%0.129SC..Hα-helixtrans-66-38.5-179.3-61.4174.3173.4169.20111.3M290 F296 R297 L298 G388 E389M290-K294 HydrophobicContact CB-CB 4.16Å; M290-K294 HydrophobicContact CE-CB 4.29Å; M290-K294 WeakPolarHBondContact O-CB 3.12Å; K294-F296 PolarHBondContact O-N 3.44Å; K294-R297 WeakPolarHBondContact O-CB 3.35Å; K294-R297 PolarHBondContact O-N 3.41Å; K294-R297 VanDerWaalsContact O-N 3.16Å; K294-L298 PolarHBondContact O-N 2.77Å; K294-G388 WeakPolarHBondContact CD-O 3.5Å; K294-G388 WeakPolarHBondContact CE-O 3.18Å; K294-G388 PolarHBondContact NZ-O 3.41Å; K294-E389 VanDerWaalsContact NZ-CD 3.29Å; K294-E389 IonicContact NZ-OE1 3.17Å; K294-E389 PolarHBondContact NZ-OE1 3.47Å; K294-E389 IonicContact NZ-OE2 2.74Å; K294-E389 PolarHBondContact NZ-OE2 2.91Å
295T93.3Very high91.8Very high0 Ų028.3 Ų28.30%013%0.133CC..Hα-helixtrans-59.5-45.6173.9-58.40000112.1P286 F287 G291 R293 R297 L298 I299 L325P286-T295 VanDerWaalsContact C-OG1 3.32Å; P286-T295 HydrophobicContact CB-CG2 3.73Å; P286-T295 PolarHBondContact O-OG1 2.71Å; F287-T295 HydrophobicContact CD1-CG2 3.51Å; F287-T295 HydrophobicContact CD2-CG2 4.43Å; F287-T295 HydrophobicContact CE1-CG2 3.47Å; F287-T295 VanDerWaalsContact CE1-CG2 3.47Å; F287-T295 HydrophobicContact CE2-CG2 4.4Å; F287-T295 HydrophobicContact CG-CG2 4.01Å; F287-T295 HydrophobicContact CZ-CG2 3.94Å; G291-T295 VanDerWaalsContact O-CB 3.27Å; G291-T295 WeakPolarHBondContact O-CB 3.44Å; G291-T295 PolarHBondContact O-N 3.42Å; G291-T295 PolarHBondContact O-OG1 3.11Å; R293-T295 PolarHBondContact O-N 3.01Å; T295-R297 VanDerWaalsContact C-N 3.32Å; T295-R297 PolarHBondContact O-N 3.35Å; T295-L298 PolarHBondContact O-N 2.9Å; T295-I299 HydrophobicContact CG2-CD1 4.03Å; T295-I299 WeakPolarHBondContact O-CG1 2.96Å; T295-I299 PolarHBondContact O-N 3.21Å; T295-L325 HydrophobicContact CG2-CD2 4.26Å
296F90.3Very high91.8Very high12 Ų1229.6 Ų29.65%0.05314%0.139CC..Hα-helixtrans-61.8-39.8174.7-89.9-55.9000112.6I292 R293 K294 L298 I299 M300 L402 L410 I411 L414 M473I292-F296 HydrophobicContact CG2-CD2 3.73Å; I292-F296 HydrophobicContact CG2-CE2 3.68Å; I292-F296 WeakPolarHBondContact O-CD2 3.34Å; I292-F296 PolarHBondContact O-N 3.13Å; R293-F296 PolarHBondContact O-N 3.11Å; K294-F296 PolarHBondContact O-N 3.44Å; F296-L298 VanDerWaalsContact C-N 3.3Å; F296-L298 PolarHBondContact O-N 2.99Å; F296-I299 HydrophobicContact CD1-CD1 4.27Å; F296-I299 HydrophobicContact CE1-CD1 4.44Å; F296-I299 PolarHBondContact O-N 3.2Å; F296-I299 VanDerWaalsContact O-N 3.16Å; F296-M300 VanDerWaalsContact O-CG 3.27Å; F296-M300 WeakPolarHBondContact O-CG 3.49Å; F296-M300 PolarHBondContact O-N 2.8Å; F296-L402 HydrophobicContact CD1-CD1 4.41Å; F296-L410 HydrophobicContact CE1-CD2 3.52Å; F296-L410 HydrophobicContact CE1-CG 4.29Å; F296-L410 HydrophobicContact CZ-CD2 3.42Å; F296-L410 VanDerWaalsContact CZ-CD2 3.42Å; F296-L410 HydrophobicContact CZ-CG 3.67Å; F296-I411 HydrophobicContact CD2-CG1 4.01Å; F296-I411 HydrophobicContact CE2-CG1 3.73Å; F296-L414 HydrophobicContact CE2-CD1 3.66Å; F296-L414 HydrophobicContact CZ-CD1 3.43Å; F296-L414 VanDerWaalsContact CZ-CD1 3.43Å; F296-L414 HydrophobicContact CZ-CG 4.48Å; F296-M473 HydrophobicContact CE1-SD 4.02Å; F296-M473 HydrophobicContact CZ-SD 4.49Å
297R89.9Confident91.8Very high50 Ų5030.8 Ų30.819%0.18914%0.144CC..Hα-helixtrans-59.2-41.7176.5-15863.3162.2167.6-0.3111.4R293 K294 T295 M300 C301 W381 L390 I399 P400R293-R297 PolarHBondContact O-N 2.57Å; R293-R297 VanDerWaalsContact O-N 3.11Å; K294-R297 WeakPolarHBondContact O-CB 3.35Å; K294-R297 PolarHBondContact O-N 3.41Å; K294-R297 VanDerWaalsContact O-N 3.16Å; T295-R297 VanDerWaalsContact C-N 3.32Å; T295-R297 PolarHBondContact O-N 3.35Å; R297-M300 WeakPolarHBondContact O-CB 3.37Å; R297-M300 PolarHBondContact O-N 3.46Å; R297-C301 PolarHBondContact O-N 3.09Å; R297-C301 PolarHBondContact O-SG 3.43Å; R297-W381 HydrophobicContact CG-CZ3 4.43Å; R297-L390 HydrophobicContact CB-CD2 3.81Å; R297-L390 HydrophobicContact CG-CD2 3.84Å; R297-I399 PolarHBondContact NH1-O 3.46Å; R297-I399 PolarHBondContact NH2-O 3.46Å; R297-P400 PolarHBondContact NH1-O 3.26Å
298L92.9Very high91.9Very high1 Ų130.4 Ų30.41%0.00514%0.143CC..Hα-helixtrans-64.2-44172.5-75.6178.6000113.5M290 K294 T295 F296 M300 C301 L302 V308 L310 L325 A383 L390M290-L298 HydrophobicContact CE-CD1 4.09Å; M290-L298 HydrophobicContact SD-CD1 3.5Å; M290-L298 VanDerWaalsContact SD-CD1 3.5Å; K294-L298 PolarHBondContact O-N 2.77Å; T295-L298 PolarHBondContact O-N 2.9Å; F296-L298 VanDerWaalsContact C-N 3.3Å; F296-L298 PolarHBondContact O-N 2.99Å; L298-M300 PolarHBondContact O-N 3.06Å; L298-C301 WeakPolarHBondContact O-CB 3.5Å; L298-C301 PolarHBondContact O-N 3.08Å; L298-C301 VanDerWaalsContact O-N 3.09Å; L298-L302 WeakPolarHBondContact O-CG 3.34Å; L298-L302 PolarHBondContact O-N 3.11Å; L298-V308 HydrophobicContact CD2-CG1 3.82Å; L298-L310 HydrophobicContact CD1-CD1 4.35Å; L298-L310 HydrophobicContact CD2-CD1 4.44Å; L298-L325 HydrophobicContact CB-CD2 4.38Å; L298-L325 HydrophobicContact CD1-CD1 4.19Å; L298-A383 HydrophobicContact CD1-CB 3.97Å; L298-A383 HydrophobicContact CD2-CB 4.16Å; L298-L390 HydrophobicContact CD2-CD1 3.73Å; L298-L390 HydrophobicContact CG-CD1 4.21Å
299I93.5Very high92.3Very high3 Ų324.3 Ų24.32%0.01511%0.114CC..Hα-helixtrans-58.4-39.5174.9-68.6168.7000110.2F287 T295 F296 L302 L303 L325 L328 L329 M473F287-I299 HydrophobicContact CE1-CD1 4.46Å; F287-I299 HydrophobicContact CZ-CD1 4.16Å; T295-I299 HydrophobicContact CG2-CD1 4.03Å; T295-I299 WeakPolarHBondContact O-CG1 2.96Å; T295-I299 PolarHBondContact O-N 3.21Å; F296-I299 HydrophobicContact CD1-CD1 4.27Å; F296-I299 HydrophobicContact CE1-CD1 4.44Å; F296-I299 PolarHBondContact O-N 3.2Å; F296-I299 VanDerWaalsContact O-N 3.16Å; I299-L302 PolarHBondContact O-N 3.15Å; I299-L303 HydrophobicContact CG2-CD1 3.8Å; I299-L303 HydrophobicContact CG2-CG 4.25Å; I299-L303 WeakPolarHBondContact O-CB 3.18Å; I299-L303 VanDerWaalsContact O-CG 3.25Å; I299-L303 WeakPolarHBondContact O-CG 3.43Å; I299-L303 PolarHBondContact O-N 3.27Å; I299-L325 HydrophobicContact CG1-CD2 3.88Å; I299-L328 HydrophobicContact CD1-CB 4.34Å; I299-L328 HydrophobicContact CD1-CD1 4.13Å; I299-L329 HydrophobicContact CG2-CD2 4.15Å; I299-M473 HydrophobicContact CD1-CE 4.34Å; I299-M473 HydrophobicContact CG2-CE 3.96Å
300M92Very high92.6Very high7 Ų722.4 Ų22.43%0.03410%0.104CC..Hα-helixtrans-65.9-40.4173.3-63.5178.386.100113F296 R297 L298 L302 L303 L304 I399 P400 L402 F518F296-M300 VanDerWaalsContact O-CG 3.27Å; F296-M300 WeakPolarHBondContact O-CG 3.49Å; F296-M300 PolarHBondContact O-N 2.8Å; R297-M300 WeakPolarHBondContact O-CB 3.37Å; R297-M300 PolarHBondContact O-N 3.46Å; L298-M300 PolarHBondContact O-N 3.06Å; M300-L302 VanDerWaalsContact C-N 3.26Å; M300-L302 PolarHBondContact O-N 3.39Å; M300-L303 PolarHBondContact O-N 3.3Å; M300-L304 WeakPolarHBondContact O-CB 3.36Å; M300-L304 VanDerWaalsContact O-CG 3.3Å; M300-L304 WeakPolarHBondContact O-CG 3.4Å; M300-L304 PolarHBondContact O-N 3.22Å; M300-I399 HydrophobicContact CB-CG2 3.97Å; M300-I399 HydrophobicContact CE-CG2 4.12Å; M300-I399 HydrophobicContact SD-CG2 4.38Å; M300-P400 WeakPolarHBondContact CE-O 3.5Å; M300-L402 HydrophobicContact CE-CB 4.43Å; M300-L402 HydrophobicContact CE-CD2 3.59Å; M300-L402 HydrophobicContact CE-CG 3.58Å; M300-L402 HydrophobicContact CG-CD2 4Å; M300-L402 HydrophobicContact CG-CG 4.27Å; M300-L402 HydrophobicContact SD-CD1 4.14Å; M300-L402 HydrophobicContact SD-CD2 3.94Å; M300-L402 HydrophobicContact SD-CG 3.62Å; M300-F518 HydrophobicContact CB-CE2 4.36Å; M300-F518 HydrophobicContact CE-CD2 3.34Å; M300-F518 HydrophobicContact CE-CE2 3.59Å; M300-F518 HydrophobicContact CE-CG 4.1Å; M300-F518 HydrophobicContact CE-CZ 4.5Å; M300-F518 HydrophobicContact CG-CE2 4.13Å
301C92.6Very high92.8Very high0 Ų023 Ų230%011%0.107CC..Hα-helixtrans-54.8-45.5173.1-610000110.9R297 L298 E305 Q306 V308 W381 I399R297-C301 PolarHBondContact O-N 3.09Å; R297-C301 PolarHBondContact O-SG 3.43Å; L298-C301 WeakPolarHBondContact O-CB 3.5Å; L298-C301 PolarHBondContact O-N 3.08Å; L298-C301 VanDerWaalsContact O-N 3.09Å; C301-E305 PolarHBondContact O-N 3.49Å; C301-Q306 HydrophobicContact CB-CB 4.11Å; C301-Q306 HydrophobicContact CB-CG 4.46Å; C301-Q306 VanDerWaalsContact O-CB 3.27Å; C301-Q306 WeakPolarHBondContact O-CB 3.16Å; C301-Q306 WeakPolarHBondContact O-CG 3.31Å; C301-Q306 PolarHBondContact O-N 3.14Å; C301-V308 HydrophobicContact CB-CG2 3.54Å; C301-W381 VanDerWaalsContact SG-CD2 3.58Å; C301-I399 HydrophobicContact CB-CD1 4.17Å; C301-I399 WeakPolarHBondContact SG-CD1 3.44Å
302L95Very high93.1Very high3 Ų321.5 Ų21.52%0.0169%0.091CC..Hα-helixtrans-70.4-43.5179.8-61.5175.4000112.4L298 I299 M300 L304 E305 V308 L325 L329 Y334 L360L298-L302 WeakPolarHBondContact O-CG 3.34Å; L298-L302 PolarHBondContact O-N 3.11Å; I299-L302 PolarHBondContact O-N 3.15Å; M300-L302 VanDerWaalsContact C-N 3.26Å; M300-L302 PolarHBondContact O-N 3.39Å; L302-L304 VanDerWaalsContact C-N 3.26Å; L302-L304 PolarHBondContact O-N 2.96Å; L302-E305 PolarHBondContact O-N 3.33Å; L302-E305 VanDerWaalsContact O-N 3.14Å; L302-V308 HydrophobicContact CD2-CB 4.21Å; L302-V308 HydrophobicContact CD2-CG2 3.89Å; L302-L325 HydrophobicContact CD1-CB 4Å; L302-L329 HydrophobicContact CB-CD1 4.13Å; L302-L329 HydrophobicContact CB-CD2 4.14Å; L302-Y334 HydrophobicContact CB-CE2 4.21Å; L302-Y334 HydrophobicContact CD2-CE2 3.94Å; L302-L360 HydrophobicContact CD1-CD2 3.91Å; L302-L360 HydrophobicContact CD2-CB 3.95Å; L302-L360 HydrophobicContact CD2-CD1 4.21Å; L302-L360 HydrophobicContact CD2-CD2 3.92Å; L302-L360 HydrophobicContact CD2-CG 4.24Å
303L93.7Very high93.1Very high6 Ų624 Ų243%0.03111%0.111CC..Hα-helixtrans-64.5-26.6177-75.5175.5000113.8I299 M300 L329 L332 F477 F518 L522 T525I299-L303 HydrophobicContact CG2-CD1 3.8Å; I299-L303 HydrophobicContact CG2-CG 4.25Å; I299-L303 WeakPolarHBondContact O-CB 3.18Å; I299-L303 VanDerWaalsContact O-CG 3.25Å; I299-L303 WeakPolarHBondContact O-CG 3.43Å; I299-L303 PolarHBondContact O-N 3.27Å; M300-L303 PolarHBondContact O-N 3.3Å; L303-L329 HydrophobicContact CD2-CD2 3.84Å; L303-L329 HydrophobicContact CG-CD2 3.85Å; L303-L332 HydrophobicContact CD2-CD1 3.59Å; L303-F477 HydrophobicContact CD1-CE1 3.83Å; L303-F477 HydrophobicContact CD1-CZ 3.98Å; L303-F477 HydrophobicContact CD2-CE1 3.8Å; L303-F477 HydrophobicContact CD2-CZ 3.83Å; L303-F518 HydrophobicContact CD1-CZ 4.12Å; L303-L522 HydrophobicContact CB-CD1 4.27Å; L303-L522 HydrophobicContact CD2-CD1 4.34Å; L303-L522 WeakPolarHBondContact O-CD1 3.48Å; L303-T525 WeakPolarHBondContact O-CG2 3.37Å
304L93.4Very high93.3Very high9 Ų918.7 Ų18.75%0.0479%0.094CC..THydrogen-bonded Turntrans-101.317.8176-57.8-178.5000112.7M300 L302 Q306 I399 P400 F518 M521 L522M300-L304 WeakPolarHBondContact O-CB 3.36Å; M300-L304 VanDerWaalsContact O-CG 3.3Å; M300-L304 WeakPolarHBondContact O-CG 3.4Å; M300-L304 PolarHBondContact O-N 3.22Å; L302-L304 VanDerWaalsContact C-N 3.26Å; L302-L304 PolarHBondContact O-N 2.96Å; L304-Q306 HydrophobicContact CB-CG 4.44Å; L304-Q306 PolarHBondContact O-N 2.88Å; L304-Q306 PolarHBondContact O-NE2 3.4Å; L304-I399 HydrophobicContact CD1-CG2 3.9Å; L304-P400 HydrophobicContact CD1-CG 4.01Å; L304-F518 HydrophobicContact CD1-CD2 3.92Å; L304-F518 HydrophobicContact CD1-CE2 4.11Å; L304-F518 HydrophobicContact CD2-CD2 3.92Å; L304-F518 HydrophobicContact CD2-CE2 3.8Å; L304-F518 HydrophobicContact CG-CD2 4.15Å; L304-F518 HydrophobicContact CG-CE2 3.91Å; L304-M521 HydrophobicContact CD1-CE 3.95Å; L304-M521 HydrophobicContact CD2-CB 3.79Å; L304-L522 HydrophobicContact CD2-CB 4.14Å
305E94.3Very high93.4Very high38 Ų3816.9 Ų16.918%0.1789%0.086CC..THydrogen-bonded Turntrans55.946.3171.2-55.3-175.1149.600112.8C301 L302 F336 P358 T525 Q526 A527C301-E305 PolarHBondContact O-N 3.49Å; L302-E305 PolarHBondContact O-N 3.33Å; L302-E305 VanDerWaalsContact O-N 3.14Å; E305-F336 HydrophobicContact CB-CE2 4.05Å; E305-F336 HydrophobicContact CB-CZ 4.48Å; E305-F336 VanDerWaalsContact CD-CE2 3.44Å; E305-F336 HydrophobicContact CG-CE2 3.69Å; E305-F336 HydrophobicContact CG-CZ 4.33Å; E305-F336 VanDerWaalsContact OE1-CE2 3.27Å; E305-F336 WeakPolarHBondContact OE1-CE2 3.39Å; E305-P358 HydrophobicContact CB-CB 4.34Å; E305-P358 HydrophobicContact CB-CG 3.92Å; E305-P358 WeakPolarHBondContact O-CB 3.23Å; E305-P358 WeakPolarHBondContact O-CG 3.46Å; E305-T525 HydrophobicContact CG-CG2 3.82Å; E305-T525 WeakPolarHBondContact OE1-CB 3.45Å; E305-T525 WeakPolarHBondContact OE2-CA 3.29Å; E305-T525 WeakPolarHBondContact OE2-CB 3.36Å; E305-Q526 WeakPolarHBondContact OE1-CA 3.42Å; E305-Q526 VanDerWaalsContact OE1-CB 3.27Å; E305-Q526 WeakPolarHBondContact OE1-CB 3.49Å; E305-Q526 PolarHBondContact OE1-N 3.08Å; E305-Q526 PolarHBondContact OE2-N 3.13Å; E305-A527 PolarHBondContact OE1-N 3.48Å; E305-A527 VanDerWaalsContact OE1-N 3.15Å
306Q92.4Very high93.4Very high35 Ų3517.3 Ų17.316%0.1649%0.088CC..  trans-89.5164.5175.1-56.8-57.8-6500111.9C301 L304 I399C301-Q306 HydrophobicContact CB-CB 4.11Å; C301-Q306 HydrophobicContact CB-CG 4.46Å; C301-Q306 VanDerWaalsContact O-CB 3.27Å; C301-Q306 WeakPolarHBondContact O-CB 3.16Å; C301-Q306 WeakPolarHBondContact O-CG 3.31Å; C301-Q306 PolarHBondContact O-N 3.14Å; L304-Q306 HydrophobicContact CB-CG 4.44Å; L304-Q306 PolarHBondContact O-N 2.88Å; L304-Q306 PolarHBondContact O-NE2 3.4Å; Q306-I399 HydrophobicContact CG-CD1 4.23Å
307K94.1Very high93.6Very high27 Ų2718.5 Ų18.512%0.1179%0.093CC..EExtended strand (participates in β ladder)trans-82.5122.7170.4-63.5176.3-177.2179.80109.8A355 T357 Y359 D379 V380 W381K307-A355 WeakPolarHBondContact CE-O 3.46Å; K307-A355 PolarHBondContact NZ-O 3.01Å; K307-T357 WeakPolarHBondContact CE-O 3.43Å; K307-Y359 HydrophobicContact CB-CD1 4.48Å; K307-Y359 HydrophobicContact CB-CE1 4.01Å; K307-Y359 HydrophobicContact CB-CE2 4.11Å; K307-Y359 HydrophobicContact CD-CD1 4.48Å; K307-Y359 HydrophobicContact CD-CE1 3.69Å; K307-Y359 HydrophobicContact CG-CD1 4.05Å; K307-Y359 HydrophobicContact CG-CE1 3.67Å; K307-D379 WeakPolarHBondContact CE-OD2 3.34Å; K307-D379 IonicContact NZ-OD2 3.36Å; K307-D379 PolarHBondContact NZ-OD2 2.88Å; K307-V380 HydrophobicContact CB-CB 4.47Å; K307-V380 HydrophobicContact CB-CG1 4.39Å; K307-V380 HydrophobicContact CB-CG2 4.07Å; K307-V380 HydrophobicContact CD-CG2 4.08Å; K307-W381 PolarHBondContact O-N 2.74Å
308V95.5Very high93.9Very high1 Ų116.1 Ų16.11%0.0068%0.084CC..EExtended strand (participates in β ladder)trans-129130.2-175.9-176.40000110.2L298 C301 L302 L310 Y359 L360 I361 W381L298-V308 HydrophobicContact CD2-CG1 3.82Å; C301-V308 HydrophobicContact CB-CG2 3.54Å; L302-V308 HydrophobicContact CD2-CB 4.21Å; L302-V308 HydrophobicContact CD2-CG2 3.89Å; V308-L310 HydrophobicContact CG1-CD1 3.56Å; V308-Y359 PolarHBondContact N-O 3.11Å; V308-L360 HydrophobicContact CB-CD1 3.94Å; V308-L360 HydrophobicContact CG1-CD1 3.75Å; V308-L360 WeakPolarHBondContact O-CA 3.49Å; V308-I361 PolarHBondContact O-N 3.27Å; V308-W381 HydrophobicContact CG2-CB 4.47Å
309V96.3Very high94Very high0 Ų016 Ų160%08%0.084CC..EExtended strand (participates in β ladder)trans-119.8131.6170.2178.50000109.5L353 Y359 I361 V363 M376 V380 W381 L382 A383V309-L353 HydrophobicContact CG2-CD2 3.85Å; V309-Y359 HydrophobicContact CG2-CE2 3.86Å; V309-I361 CarbonylContact C-O 3.6Å; V309-I361 VanDerWaalsContact CA-O 3.22Å; V309-I361 WeakPolarHBondContact CA-O 2.93Å; V309-V363 HydrophobicContact CG1-CG1 4.33Å; V309-V363 HydrophobicContact CG1-CG2 3.78Å; V309-M376 HydrophobicContact CB-CE 3.87Å; V309-M376 HydrophobicContact CG1-CE 3.86Å; V309-M376 HydrophobicContact CG2-CE 3.7Å; V309-M376 HydrophobicContact CG2-SD 4.27Å; V309-V380 HydrophobicContact CB-CG1 4.23Å; V309-V380 HydrophobicContact CG2-CG1 3.63Å; V309-W381 PolarHBondContact N-O 3.49Å; V309-L382 HydrophobicContact CB-CD1 4.12Å; V309-L382 HydrophobicContact CG1-CD1 3.84Å; V309-L382 WeakPolarHBondContact O-CA 3.14Å; V309-A383 PolarHBondContact O-N 3.06Å
310L97.3Very high94.1Very high0 Ų016 Ų160%08%0.083CC..EExtended strand (participates in β ladder)trans-106.5142.4167.8-85.957.9000108.5L298 V308 L318 T321 I322 L325 L360 I361 G362 V363 A383 L385L298-L310 HydrophobicContact CD1-CD1 4.35Å; L298-L310 HydrophobicContact CD2-CD1 4.44Å; V308-L310 HydrophobicContact CG1-CD1 3.56Å; L310-L318 HydrophobicContact CB-CD1 3.62Å; L310-T321 HydrophobicContact CD2-CG2 3.8Å; L310-I322 HydrophobicContact CB-CD1 4.28Å; L310-I322 HydrophobicContact CB-CG1 4.37Å; L310-I322 HydrophobicContact CD2-CG1 3.76Å; L310-L325 HydrophobicContact CD2-CD1 3.77Å; L310-L360 HydrophobicContact CD1-CD1 4.03Å; L310-I361 PolarHBondContact N-O 2.97Å; L310-G362 CarbonylContact O-C 3.53Å; L310-G362 WeakPolarHBondContact O-CA 3.49Å; L310-V363 PolarHBondContact O-N 3.18Å; L310-A383 CarbonylContact C-O 3.56Å; L310-A383 WeakPolarHBondContact CA-O 3.47Å; L310-A383 HydrophobicContact CD1-CB 3.98Å; L310-A383 HydrophobicContact CG-CB 4.03Å; L310-L385 HydrophobicContact CB-CD1 4.42Å; L310-L385 HydrophobicContact CD2-CD1 4.22Å; L310-L385 HydrophobicContact CD2-CD2 4.16Å; L310-L385 HydrophobicContact CG-CD2 4.3Å
311Q95.5Very high94.3Very high24 Ų2415.6 Ų15.611%0.1128%0.082CC..EExtended strand (participates in β ladder)trans-123.8145.7172.773.3-179.825.300112.9V363 L382 A383 D384 L385Q311-V363 VanDerWaalsContact CA-O 3.31Å; Q311-V363 WeakPolarHBondContact CA-O 3.46Å; Q311-V363 HydrophobicContact CB-CG2 3.97Å; Q311-L382 HydrophobicContact CB-CD1 4.27Å; Q311-L382 HydrophobicContact CG-CD1 4.12Å; Q311-A383 PolarHBondContact N-O 3.16Å; Q311-D384 HydrophobicContact CG-CB 3.92Å; Q311-D384 PolarHBondContact NE2-OD2 3.18Å; Q311-L385 WeakPolarHBondContact O-CB 3.35Å; Q311-L385 PolarHBondContact O-N 2.87Å
312S95.2Very high94.6Very high0 Ų015.6 Ų15.60%08%0.082CC..EExtended strand (participates in β ladder)trans-161156.4170.7-170.60000111.7D314 K317 V363 P364 T365 D386S312-D314 PolarHBondContact OG-N 3.21Å; S312-D314 PolarHBondContact OG-O 3.24Å; S312-K317 WeakPolarHBondContact OG-CE 2.96Å; S312-K317 PolarHBondContact OG-NZ 3.1Å; S312-V363 PolarHBondContact N-O 2.94Å; S312-P364 WeakPolarHBondContact O-CA 3.4Å; S312-T365 VanDerWaalsContact CA-OG1 3.29Å; S312-T365 WeakPolarHBondContact CA-OG1 3.34Å; S312-T365 PolarHBondContact N-OG1 3.08Å; S312-T365 PolarHBondContact O-N 3.07Å; S312-T365 PolarHBondContact O-OG1 3.07Å; S312-D386 WeakPolarHBondContact CB-OD1 3.08Å; S312-D386 PolarHBondContact OG-OD1 3.42Å
313S90.6Very high94.6Very high77 Ų7716.5 Ų16.554%0.5389%0.086SC..SBendtrans-79.9-14.3165.251.70000113.4T365 D386S313-T365 PolarHBondContact N-OG1 2.84Å; S313-T365 VanDerWaalsContact N-OG1 3.17Å; S313-D386 VanDerWaalsContact CB-OD2 3.31Å; S313-D386 WeakPolarHBondContact CB-OD2 2.89Å; S313-D386 PolarHBondContact N-OD2 2.82Å; S313-D386 PolarHBondContact OG-OD2 2.98Å
314D91.6Very high94.7Very high38 Ų3816.2 Ų16.220%0.2039%0.085CC..  trans-105.2107.6170.2179.75000111M81 S312 N316 K317 L318M81-D314 VanDerWaalsContact CE-OD1 3.27Å; M81-D314 WeakPolarHBondContact CE-OD1 3.5Å; S312-D314 PolarHBondContact OG-N 3.21Å; S312-D314 PolarHBondContact OG-O 3.24Å; D314-N316 PolarHBondContact O-N 3.06Å; D314-N316 WeakPolarHBondContact OD1-CB 3.31Å; D314-N316 PolarHBondContact OD1-N 3.2Å; D314-K317 HydrophobicContact CB-CB 3.9Å; D314-K317 PolarHBondContact O-N 3.1Å; D314-K317 PolarHBondContact OD1-N 3.2Å; D314-K317 WeakPolarHBondContact OD2-CB 3.38Å; D314-K317 PolarHBondContact OD2-N 2.95Å; D314-L318 VanDerWaalsContact O-CB 3.29Å; D314-L318 WeakPolarHBondContact O-CB 3.4Å; D314-L318 PolarHBondContact O-N 3.49Å
315Y93.3Very high94.9Very high24 Ų2415.8 Ų15.89%0.0948%0.082CC..Hα-helixtrans-61.3-28.4177.7-43.3-35.3000113.4P55 E56 M81 F83 S319 L341 P364P55-Y315 HydrophobicContact CG-CD1 4.41Å; P55-Y315 HydrophobicContact CG-CD2 3.79Å; P55-Y315 HydrophobicContact CG-CE1 4.1Å; P55-Y315 HydrophobicContact CG-CE2 3.44Å; P55-Y315 VanDerWaalsContact CG-CE2 3.44Å; P55-Y315 HydrophobicContact CG-CG 4.27Å; E56-Y315 WeakPolarHBondContact CG-OH 3.43Å; E56-Y315 PolarHBondContact OE1-OH 3.33Å; E56-Y315 VanDerWaalsContact OE1-OH 3.12Å; M81-Y315 HydrophobicContact CE-CD2 3.6Å; M81-Y315 HydrophobicContact CE-CE2 4.19Å; M81-Y315 HydrophobicContact CE-CG 3.83Å; M81-Y315 HydrophobicContact SD-CD2 3.8Å; M81-Y315 HydrophobicContact SD-CE2 3.98Å; F83-Y315 HydrophobicContact CD1-CD2 4.09Å; F83-Y315 HydrophobicContact CE1-CD2 4.12Å; F83-Y315 HydrophobicContact CG-CD2 4.32Å; F83-Y315 HydrophobicContact CZ-CD2 4.37Å; Y315-S319 VanDerWaalsContact O-CB 3.27Å; Y315-S319 WeakPolarHBondContact O-CB 3.46Å; Y315-S319 PolarHBondContact O-N 3.41Å; Y315-S319 PolarHBondContact O-OG 3.26Å; Y315-L341 HydrophobicContact CD1-CD1 3.9Å; Y315-L341 HydrophobicContact CG-CD1 4.05Å; Y315-L341 HydrophobicContact CG-CD2 4.29Å; Y315-P364 HydrophobicContact CD1-CG 4.31Å; Y315-P364 HydrophobicContact CE1-CB 3.99Å; Y315-P364 HydrophobicContact CE1-CG 3.96Å
316N92.4Very high94.9Very high8 Ų815.9 Ų15.94%0.0439%0.086CC..Hα-helixtrans-76-50.5179.7-170.262000110.6F83 D314 L318 S319 L320 F657F83-N316 WeakPolarHBondContact CA-OD1 3.49Å; F83-N316 HydrophobicContact CB-CB 3.84Å; D314-N316 PolarHBondContact O-N 3.06Å; D314-N316 WeakPolarHBondContact OD1-CB 3.31Å; D314-N316 PolarHBondContact OD1-N 3.2Å; N316-L318 VanDerWaalsContact C-N 3.33Å; N316-L318 PolarHBondContact O-N 3.29Å; N316-S319 PolarHBondContact O-N 3.41Å; N316-L320 WeakPolarHBondContact O-CB 3.14Å; N316-L320 VanDerWaalsContact O-CG 3.3Å; N316-L320 WeakPolarHBondContact O-CG 3.38Å; N316-L320 PolarHBondContact O-N 2.84Å; N316-F657 VanDerWaalsContact ND2-CE2 3.31Å; N316-F657 WeakPolarHBondContact ND2-CE2 3.33Å; N316-F657 WeakPolarHBondContact OD1-CE2 3.47Å; N316-F657 WeakPolarHBondContact OD1-CZ 3.32Å
317K93.6Very high95Very high37 Ų3715.3 Ų15.316%0.1619%0.087CC..Hα-helixtrans-50.4-54.4170.8-176.1177.662.21730110.4I289 S312 D314 S319 L320 T321 L385 D386 M656I289-K317 HydrophobicContact CD1-CD 3.89Å; I289-K317 HydrophobicContact CD1-CG 3.57Å; I289-K317 HydrophobicContact CG1-CD 4.35Å; S312-K317 WeakPolarHBondContact OG-CE 2.96Å; S312-K317 PolarHBondContact OG-NZ 3.1Å; D314-K317 HydrophobicContact CB-CB 3.9Å; D314-K317 PolarHBondContact O-N 3.1Å; D314-K317 PolarHBondContact OD1-N 3.2Å; D314-K317 WeakPolarHBondContact OD2-CB 3.38Å; D314-K317 PolarHBondContact OD2-N 2.95Å; K317-S319 PolarHBondContact O-N 3.16Å; K317-L320 PolarHBondContact O-N 2.77Å; K317-T321 WeakPolarHBondContact O-CB 3.5Å; K317-T321 PolarHBondContact O-N 2.9Å; K317-T321 PolarHBondContact O-OG1 3.39Å; K317-L385 WeakPolarHBondContact CE-O 3.05Å; K317-L385 PolarHBondContact NZ-O 3.47Å; K317-D386 WeakPolarHBondContact CE-OD1 3.26Å; K317-D386 IonicContact NZ-OD1 3.61Å; K317-D386 PolarHBondContact NZ-OD1 3.4Å; K317-M656 HydrophobicContact CB-SD 4.4Å
318L96.2Very high95.1Very high0 Ų014.1 Ų14.10%08%0.082CC..Hα-helixtrans-51.7-54178.4-179.359.6000113.7L310 D314 N316 T321 I322 L341 V363 L385L310-L318 HydrophobicContact CB-CD1 3.62Å; D314-L318 VanDerWaalsContact O-CB 3.29Å; D314-L318 WeakPolarHBondContact O-CB 3.4Å; D314-L318 PolarHBondContact O-N 3.49Å; N316-L318 VanDerWaalsContact C-N 3.33Å; N316-L318 PolarHBondContact O-N 3.29Å; L318-T321 PolarHBondContact O-N 3.13Å; L318-I322 HydrophobicContact CD1-CD1 4.1Å; L318-I322 HydrophobicContact CG-CD1 4.39Å; L318-I322 WeakPolarHBondContact O-CG1 3.46Å; L318-I322 PolarHBondContact O-N 2.98Å; L318-I322 VanDerWaalsContact O-N 3.1Å; L318-L341 HydrophobicContact CD2-CD1 4.08Å; L318-V363 WeakPolarHBondContact CD2-O 3.45Å; L318-L385 HydrophobicContact CB-CD1 4.43Å; L318-L385 HydrophobicContact CD1-CD1 3.87Å
319S96.2Very high95Very high0 Ų014.3 Ų14.30%08%0.083CC..Hα-helixtrans-69.9-37.8-173.4-57.50000112L84 Y315 N316 K317 L323 P340L84-S319 WeakPolarHBondContact O-CB 3.26Å; L84-S319 PolarHBondContact O-OG 3.35Å; Y315-S319 VanDerWaalsContact O-CB 3.27Å; Y315-S319 WeakPolarHBondContact O-CB 3.46Å; Y315-S319 PolarHBondContact O-N 3.41Å; Y315-S319 PolarHBondContact O-OG 3.26Å; N316-S319 PolarHBondContact O-N 3.41Å; K317-S319 PolarHBondContact O-N 3.16Å; S319-L323 WeakPolarHBondContact O-CG 3.46Å; S319-L323 PolarHBondContact O-N 3.43Å; S319-L323 VanDerWaalsContact O-N 3.11Å; S319-P340 PolarHBondContact OG-O 3.33Å
320L95.1Very high94.9Very high1 Ų115.7 Ų15.71%0.0059%0.088CC..Hα-helixtrans-71.6-39.8176.9-64.4179.1000111.6F281 L285 N316 K317 I322 L323 S324 M656 F657F281-L320 HydrophobicContact CB-CD2 3.81Å; F281-L320 HydrophobicContact CD1-CD2 4.26Å; F281-L320 HydrophobicContact CD2-CD2 4.45Å; F281-L320 HydrophobicContact CG-CD2 3.95Å; L285-L320 HydrophobicContact CD2-CB 3.71Å; N316-L320 WeakPolarHBondContact O-CB 3.14Å; N316-L320 VanDerWaalsContact O-CG 3.3Å; N316-L320 WeakPolarHBondContact O-CG 3.38Å; N316-L320 PolarHBondContact O-N 2.84Å; K317-L320 PolarHBondContact O-N 2.77Å; L320-I322 VanDerWaalsContact C-N 3.31Å; L320-I322 PolarHBondContact O-N 2.84Å; L320-L323 PolarHBondContact O-N 3.45Å; L320-S324 WeakPolarHBondContact O-CB 3.12Å; L320-S324 PolarHBondContact O-N 2.98Å; L320-S324 PolarHBondContact O-OG 3.26Å; L320-M656 HydrophobicContact CB-CE 4.27Å; L320-M656 HydrophobicContact CD1-CE 3.61Å; L320-F657 HydrophobicContact CD1-CE1 4.24Å; L320-F657 HydrophobicContact CD1-CZ 4.18Å
321T97Very high94.6Very high0 Ų016.5 Ų16.50%09%0.094CC..Hα-helixtrans-58.8-42.3173.2-58.70000111.6P286 I289 L310 K317 L318 S324 L325 L385P286-T321 HydrophobicContact CB-CG2 4.1Å; P286-T321 HydrophobicContact CG-CG2 4.13Å; I289-T321 WeakPolarHBondContact CD1-OG1 3.14Å; L310-T321 HydrophobicContact CD2-CG2 3.8Å; K317-T321 WeakPolarHBondContact O-CB 3.5Å; K317-T321 PolarHBondContact O-N 2.9Å; K317-T321 PolarHBondContact O-OG1 3.39Å; L318-T321 PolarHBondContact O-N 3.13Å; T321-S324 PolarHBondContact O-N 3.49Å; T321-L325 HydrophobicContact CG2-CD1 4.18Å; T321-L325 WeakPolarHBondContact O-CB 3.5Å; T321-L325 VanDerWaalsContact O-CG 3.31Å; T321-L325 WeakPolarHBondContact O-CG 3.32Å; T321-L325 PolarHBondContact O-N 3.31Å; T321-L385 HydrophobicContact CG2-CD1 4.13Å; T321-L385 HydrophobicContact CG2-CD2 4.04Å
322I97.3Very high94.4Very high0 Ų015.8 Ų15.80%09%0.091CC..Hα-helixtrans-62.4-46.4176.4-76.6168.4000111.7L310 L318 L320 L325 V326 V338 P340 L360 G362L310-I322 HydrophobicContact CB-CD1 4.28Å; L310-I322 HydrophobicContact CB-CG1 4.37Å; L310-I322 HydrophobicContact CD2-CG1 3.76Å; L318-I322 HydrophobicContact CD1-CD1 4.1Å; L318-I322 HydrophobicContact CG-CD1 4.39Å; L318-I322 WeakPolarHBondContact O-CG1 3.46Å; L318-I322 PolarHBondContact O-N 2.98Å; L318-I322 VanDerWaalsContact O-N 3.1Å; L320-I322 VanDerWaalsContact C-N 3.31Å; L320-I322 PolarHBondContact O-N 2.84Å; I322-L325 PolarHBondContact O-N 3.45Å; I322-V326 WeakPolarHBondContact O-CG2 3.47Å; I322-V326 PolarHBondContact O-N 3.17Å; I322-V326 VanDerWaalsContact O-N 3.1Å; I322-V338 HydrophobicContact CG2-CG1 3.63Å; I322-P340 HydrophobicContact CB-CB 4.5Å; I322-P340 WeakPolarHBondContact CD1-O 3.36Å; I322-P340 HydrophobicContact CG2-CB 4.21Å; I322-P340 HydrophobicContact CG2-CG 4.21Å; I322-L360 HydrophobicContact CG1-CD1 4.28Å; I322-L360 HydrophobicContact CG1-CG 4.39Å; I322-L360 HydrophobicContact CG2-CD2 3.85Å; I322-L360 HydrophobicContact CG2-CG 3.99Å; I322-G362 VanDerWaalsContact CD1-N 3.31Å
323L95.7Very high94.1Very high21 Ų2120.5 Ų20.511%0.1111%0.112CC..Hα-helixtrans-68.3-37.3179.8-67.3176.6000112.5L84 F281 S319 L320 V326 A327 P340L84-L323 HydrophobicContact CD2-CD1 3.54Å; F281-L323 HydrophobicContact CE1-CB 4.27Å; F281-L323 HydrophobicContact CE1-CD1 4.32Å; F281-L323 HydrophobicContact CE2-CB 3.76Å; F281-L323 HydrophobicContact CZ-CB 3.5Å; F281-L323 VanDerWaalsContact CZ-CB 3.5Å; F281-L323 HydrophobicContact CZ-CD1 4.35Å; S319-L323 WeakPolarHBondContact O-CG 3.46Å; S319-L323 PolarHBondContact O-N 3.43Å; S319-L323 VanDerWaalsContact O-N 3.11Å; L320-L323 PolarHBondContact O-N 3.45Å; L323-V326 PolarHBondContact O-N 3.23Å; L323-A327 WeakPolarHBondContact O-CB 3.42Å; L323-A327 PolarHBondContact O-N 2.84Å; L323-P340 HydrophobicContact CD2-CG 4Å; L323-P340 HydrophobicContact CG-CG 4.22Å
324S96Very high94.1Very high0 Ų017.9 Ų17.90%09%0.091CC..Hα-helixtrans-66-39.8174-63.70000112.1F281 P282 L320 T321 V326 A327 L328F281-S324 WeakPolarHBondContact CD2-OG 3.4Å; F281-S324 WeakPolarHBondContact CE2-OG 3.36Å; P282-S324 PolarHBondContact O-OG 3.06Å; L320-S324 WeakPolarHBondContact O-CB 3.12Å; L320-S324 PolarHBondContact O-N 2.98Å; L320-S324 PolarHBondContact O-OG 3.26Å; T321-S324 PolarHBondContact O-N 3.49Å; S324-V326 PolarHBondContact O-N 3.17Å; S324-A327 PolarHBondContact O-N 3.19Å; S324-L328 WeakPolarHBondContact O-CD1 2.99Å; S324-L328 VanDerWaalsContact O-CG 3.24Å; S324-L328 WeakPolarHBondContact O-CG 3.18Å; S324-L328 PolarHBondContact O-N 2.77Å
325L97Very high93.7Very high0 Ų018 Ų180%09%0.091CC..Hα-helixtrans-60.8-41.2173.4-77.9171.4000112.5P286 T295 L298 I299 L302 L310 T321 I322P286-L325 HydrophobicContact CB-CD2 4.04Å; P286-L325 HydrophobicContact CB-CG 4.21Å; P286-L325 HydrophobicContact CG-CD2 4.26Å; P286-L325 HydrophobicContact CG-CG 4.07Å; T295-L325 HydrophobicContact CG2-CD2 4.26Å; L298-L325 HydrophobicContact CB-CD2 4.38Å; L298-L325 HydrophobicContact CD1-CD1 4.19Å; I299-L325 HydrophobicContact CG1-CD2 3.88Å; L302-L325 HydrophobicContact CD1-CB 4Å; L310-L325 HydrophobicContact CD2-CD1 3.77Å; T321-L325 HydrophobicContact CG2-CD1 4.18Å; T321-L325 WeakPolarHBondContact O-CB 3.5Å; T321-L325 VanDerWaalsContact O-CG 3.31Å; T321-L325 WeakPolarHBondContact O-CG 3.32Å; T321-L325 PolarHBondContact O-N 3.31Å; I322-L325 PolarHBondContact O-N 3.45Å
326V95.2Very high93.6Very high40 Ų4019 Ų1924%0.24210%0.096CC..Hα-helixtrans-68-41.2175.4174.70000111.4I322 L323 S324 L328 L329 V338 L360I322-V326 WeakPolarHBondContact O-CG2 3.47Å; I322-V326 PolarHBondContact O-N 3.17Å; I322-V326 VanDerWaalsContact O-N 3.1Å; L323-V326 PolarHBondContact O-N 3.23Å; S324-V326 PolarHBondContact O-N 3.17Å; V326-L328 VanDerWaalsContact C-N 3.28Å; V326-L328 PolarHBondContact O-N 3.43Å; V326-L329 WeakPolarHBondContact O-CB 3.43Å; V326-L329 WeakPolarHBondContact O-CG 3.49Å; V326-L329 PolarHBondContact O-N 3.39Å; V326-V338 HydrophobicContact CG2-CG1 4.13Å; V326-V338 HydrophobicContact CG2-CG2 4.03Å; V326-L360 HydrophobicContact CG2-CD2 3.67Å
327A93.9Very high93.6Very high24 Ų2422 Ų2220%0.19812%0.115CC..Hα-helixtrans-64.5-30.9178.700000113.3I279 L323 S324 L329 Y330I279-A327 HydrophobicContact CD1-CB 3.66Å; L323-A327 WeakPolarHBondContact O-CB 3.42Å; L323-A327 PolarHBondContact O-N 2.84Å; S324-A327 PolarHBondContact O-N 3.19Å; A327-L329 PolarHBondContact O-N 3.44Å; A327-Y330 VanDerWaalsContact O-CB 3.29Å; A327-Y330 WeakPolarHBondContact O-CB 3.36Å; A327-Y330 PolarHBondContact O-N 3.32Å
328L95.4Very high93.7Very high2 Ų221.5 Ų21.51%0.0112%0.116CC..THydrogen-bonded Turntrans-69.4-12.3176.2-75163.6000114.3V283 P286 F287 I299 S324 V326 Y330 I469 M473V283-L328 HydrophobicContact CG1-CD1 4.44Å; V283-L328 HydrophobicContact CG1-CD2 3.68Å; V283-L328 HydrophobicContact CG1-CG 3.88Å; P286-L328 HydrophobicContact CG-CD1 4.41Å; F287-L328 HydrophobicContact CE2-CD1 3.61Å; F287-L328 HydrophobicContact CE2-CD2 4.08Å; F287-L328 HydrophobicContact CZ-CD1 3.91Å; F287-L328 HydrophobicContact CZ-CD2 4.32Å; I299-L328 HydrophobicContact CD1-CB 4.34Å; I299-L328 HydrophobicContact CD1-CD1 4.13Å; S324-L328 WeakPolarHBondContact O-CD1 2.99Å; S324-L328 VanDerWaalsContact O-CG 3.24Å; S324-L328 WeakPolarHBondContact O-CG 3.18Å; S324-L328 PolarHBondContact O-N 2.77Å; V326-L328 VanDerWaalsContact C-N 3.28Å; V326-L328 PolarHBondContact O-N 3.43Å; L328-Y330 VanDerWaalsContact C-N 3.29Å; L328-I469 HydrophobicContact CD2-CG2 3.53Å; L328-M473 HydrophobicContact CD2-CG 4.04Å; L328-M473 VanDerWaalsContact O-CE 3.27Å; L328-M473 WeakPolarHBondContact O-CE 3.36Å
329L94.7Very high93.7Very high4 Ų422.9 Ų22.92%0.02112%0.123CC..THydrogen-bonded Turntrans-78.1-15.1176.6-53.4176.9000113I299 L302 L303 V326 A327 L332 Y334I299-L329 HydrophobicContact CG2-CD2 4.15Å; L302-L329 HydrophobicContact CB-CD1 4.13Å; L302-L329 HydrophobicContact CB-CD2 4.14Å; L303-L329 HydrophobicContact CD2-CD2 3.84Å; L303-L329 HydrophobicContact CG-CD2 3.85Å; V326-L329 WeakPolarHBondContact O-CB 3.43Å; V326-L329 WeakPolarHBondContact O-CG 3.49Å; V326-L329 PolarHBondContact O-N 3.39Å; A327-L329 PolarHBondContact O-N 3.44Å; L329-L332 CarbonylContact C-O 3.59Å; L329-L332 WeakPolarHBondContact O-CA 3.31Å; L329-L332 VanDerWaalsContact O-CB 3.27Å; L329-L332 WeakPolarHBondContact O-CB 3.43Å; L329-L332 PolarHBondContact O-N 2.84Å; L329-Y334 HydrophobicContact CD1-CD2 3.94Å; L329-Y334 HydrophobicContact CD1-CG 4.32Å
330Y93Very high93.7Very high30 Ų3022.9 Ų22.912%0.11812%0.123CC..THydrogen-bonded Turntrans-51.1132.1179.3179.1-78.4000111.6L276 P277 A327 L328 I474 N540L276-Y330 HydrophobicContact CD2-CD1 4.4Å; L276-Y330 HydrophobicContact CD2-CE1 3.62Å; L276-Y330 WeakPolarHBondContact CD2-OH 3.33Å; P277-Y330 VanDerWaalsContact CD-CE2 3.45Å; P277-Y330 HydrophobicContact CG-CD2 4.12Å; P277-Y330 HydrophobicContact CG-CE2 3.66Å; A327-Y330 VanDerWaalsContact O-CB 3.29Å; A327-Y330 WeakPolarHBondContact O-CB 3.36Å; A327-Y330 PolarHBondContact O-N 3.32Å; L328-Y330 VanDerWaalsContact C-N 3.29Å; Y330-I474 HydrophobicContact CD1-CD1 3.56Å; Y330-I474 HydrophobicContact CD1-CG1 3.56Å; Y330-I474 HydrophobicContact CE1-CD1 3.37Å; Y330-I474 HydrophobicContact CE1-CG1 3.76Å; Y330-N540 WeakPolarHBondContact CE2-ND2 3.4Å; Y330-N540 VanDerWaalsContact OH-CG 3.28Å; Y330-N540 PolarHBondContact OH-ND2 3.18Å; Y330-N540 PolarHBondContact OH-OD1 3.26Å
331P91.1Very high93.8Very high17 Ų1722.9 Ų22.911%0.1112%0.122CC..THydrogen-bonded Turncis-87.21.216.138.5-41.3000115.1F531 Y543P331-F531 HydrophobicContact CB-CD2 4.47Å; P331-F531 HydrophobicContact CB-CE2 3.73Å; P331-F531 HydrophobicContact CB-CZ 4.1Å; P331-F531 HydrophobicContact CG-CE1 4.26Å; P331-F531 HydrophobicContact CG-CE2 3.67Å; P331-F531 HydrophobicContact CG-CZ 3.52Å; P331-Y543 HydrophobicContact CB-CD2 3.68Å; P331-Y543 HydrophobicContact CB-CE2 4.06Å; P331-Y543 HydrophobicContact CB-CG 4.08Å; P331-Y543 HydrophobicContact CG-CD2 3.76Å; P331-Y543 HydrophobicContact CG-CE2 3.62Å
332L92.5Very high93.7Very high9 Ų922.9 Ų22.95%0.04712%0.123CC..SBendtrans-73.1144174.7-52.3175.7000109.4L303 L329 F477 L483 L522 V528 F531L303-L332 HydrophobicContact CD2-CD1 3.59Å; L329-L332 CarbonylContact C-O 3.59Å; L329-L332 WeakPolarHBondContact O-CA 3.31Å; L329-L332 VanDerWaalsContact O-CB 3.27Å; L329-L332 WeakPolarHBondContact O-CB 3.43Å; L329-L332 PolarHBondContact O-N 2.84Å; L332-F477 HydrophobicContact CD1-CD1 4.25Å; L332-F477 HydrophobicContact CD1-CE1 3.89Å; L332-F477 HydrophobicContact CD1-CZ 4.27Å; L332-L483 HydrophobicContact CD1-CD1 4.19Å; L332-L483 HydrophobicContact CD2-CD1 3.98Å; L332-L522 HydrophobicContact CD1-CD1 4.34Å; L332-V528 HydrophobicContact CD2-CG2 4.34Å; L332-F531 HydrophobicContact CD2-CB 3.58Å; L332-F531 HydrophobicContact CD2-CD1 3.42Å; L332-F531 VanDerWaalsContact CD2-CD1 3.42Å; L332-F531 HydrophobicContact CD2-CD2 4.35Å; L332-F531 HydrophobicContact CD2-CE1 4.13Å; L332-F531 HydrophobicContact CD2-CG 3.55Å
333Q88.7Confident93.5Very high98 Ų9822.9 Ų22.946%0.45812%0.123SC..  trans-107.7129.5174.2-173.4-178.1-27.200109.1M335 Y530Q333-M335 HydrophobicContact CB-CE 3.65Å; Q333-M335 HydrophobicContact CG-CE 3.58Å; Q333-M335 WeakPolarHBondContact O-CE 3.38Å; Q333-Y530 HydrophobicContact CB-CD1 3.94Å; Q333-Y530 HydrophobicContact CB-CE1 3.7Å; Q333-Y530 HydrophobicContact CG-CE1 4.29Å; Q333-Y530 PolarHBondContact OE1-OH 2.95Å
334Y89.4Confident93.3Very high22 Ų2222.1 Ų22.19%0.08612%0.119CC..  trans-71.8128.9175.7-167.1-103.2000110.1L302 L329 F336 V338 Y359 L360L302-Y334 HydrophobicContact CB-CE2 4.21Å; L302-Y334 HydrophobicContact CD2-CE2 3.94Å; L329-Y334 HydrophobicContact CD1-CD2 3.94Å; L329-Y334 HydrophobicContact CD1-CG 4.32Å; Y334-F336 HydrophobicContact CD1-CB 4.29Å; Y334-F336 WeakPolarHBondContact CD1-O 3.45Å; Y334-F336 HydrophobicContact CE1-CB 3.64Å; Y334-F336 HydrophobicContact CE1-CD2 4.41Å; Y334-F336 WeakPolarHBondContact CE1-O 3.49Å; Y334-F336 HydrophobicContact CE2-CD2 4.25Å; Y334-V338 HydrophobicContact CD1-CG2 3.51Å; Y334-V338 HydrophobicContact CE1-CG2 3.8Å; Y334-Y359 WeakPolarHBondContact OH-CA 3.35Å; Y334-Y359 PolarHBondContact OH-O 3.13Å; Y334-L360 HydrophobicContact CE1-CB 4.34Å
335M83.9Confident92.9Very high41 Ų4123.7 Ų23.720%0.20213%0.13CC..  trans-99-4.3-169.9-68-71.5113.800114.3Q333 Q526 Y530 Y1218Q333-M335 HydrophobicContact CB-CE 3.65Å; Q333-M335 HydrophobicContact CG-CE 3.58Å; Q333-M335 WeakPolarHBondContact O-CE 3.38Å; M335-Q526 HydrophobicContact CB-CB 4.49Å; M335-Q526 HydrophobicContact CB-CG 4.22Å; M335-Q526 HydrophobicContact CG-CB 4.38Å; M335-Q526 HydrophobicContact CG-CG 4.03Å; M335-Y530 HydrophobicContact CE-CD1 3.39Å; M335-Y530 HydrophobicContact CE-CD2 3.99Å; M335-Y530 HydrophobicContact CE-CE1 3.68Å; M335-Y530 HydrophobicContact CE-CE2 4.24Å; M335-Y530 HydrophobicContact CE-CG 3.52Å; M335-Y530 HydrophobicContact SD-CD1 4.32Å; M335-Y530 HydrophobicContact SD-CD2 4.04Å; M335-Y530 HydrophobicContact SD-CG 3.83Å; M335-Y1218 HydrophobicContact SD-CE2 4.07Å
336F91.3Very high92.5Very high46 Ų4625.5 Ų25.520%0.20214%0.139CC..SBendtrans-111.3168-170.5-54.9-80.2000112.2E305 Y334 V338 P358 Q526E305-F336 HydrophobicContact CB-CE2 4.05Å; E305-F336 HydrophobicContact CB-CZ 4.48Å; E305-F336 VanDerWaalsContact CD-CE2 3.44Å; E305-F336 HydrophobicContact CG-CE2 3.69Å; E305-F336 HydrophobicContact CG-CZ 4.33Å; E305-F336 VanDerWaalsContact OE1-CE2 3.27Å; E305-F336 WeakPolarHBondContact OE1-CE2 3.39Å; Y334-F336 HydrophobicContact CD1-CB 4.29Å; Y334-F336 WeakPolarHBondContact CD1-O 3.45Å; Y334-F336 HydrophobicContact CE1-CB 3.64Å; Y334-F336 HydrophobicContact CE1-CD2 4.41Å; Y334-F336 WeakPolarHBondContact CE1-O 3.49Å; Y334-F336 HydrophobicContact CE2-CD2 4.25Å; F336-V338 PolarHBondContact O-N 3.14Å; F336-P358 HydrophobicContact CB-CB 4.27Å; F336-P358 WeakPolarHBondContact CB-O 3.4Å; F336-P358 HydrophobicContact CD1-CB 4.01Å; F336-P358 HydrophobicContact CD1-CG 3.92Å; F336-P358 HydrophobicContact CD2-CB 3.92Å; F336-P358 HydrophobicContact CD2-CG 4.21Å; F336-P358 HydrophobicContact CE1-CB 4.36Å; F336-P358 HydrophobicContact CE1-CG 3.79Å; F336-P358 HydrophobicContact CE2-CB 4.29Å; F336-P358 HydrophobicContact CE2-CG 4.11Å; F336-P358 HydrophobicContact CG-CB 3.78Å; F336-P358 HydrophobicContact CG-CG 4.13Å; F336-P358 HydrophobicContact CZ-CB 4.5Å; F336-P358 HydrophobicContact CZ-CG 3.89Å; F336-Q526 HydrophobicContact CE2-CB 4.49Å; F336-Q526 HydrophobicContact CZ-CB 4.11Å
337P92.5Very high92.1Very high69 Ų6927.5 Ų27.545%0.44815%0.153SC..  trans-55.1123.3-179.7-27.937000112.8Y359 L360P337-Y359 WeakPolarHBondContact O-CA 3.33Å; P337-L360 PolarHBondContact O-N 3.48Å
338V95Very high91.8Very high28 Ų2830.3 Ų30.317%0.1716%0.164CC..EExtended strand (participates in β ladder)trans-110.5121.1167.9-176.40000107.6I322 V326 Y334 F336 P340 L360I322-V338 HydrophobicContact CG2-CG1 3.63Å; V326-V338 HydrophobicContact CG2-CG1 4.13Å; V326-V338 HydrophobicContact CG2-CG2 4.03Å; Y334-V338 HydrophobicContact CD1-CG2 3.51Å; Y334-V338 HydrophobicContact CE1-CG2 3.8Å; F336-V338 PolarHBondContact O-N 3.14Å; V338-P340 HydrophobicContact CG1-CG 4.48Å; V338-L360 WeakPolarHBondContact CA-O 3.47Å; V338-L360 HydrophobicContact CG1-CD2 4.49Å
339I96Very high91.6Very high29 Ų2930.3 Ų30.315%0.14916%0.164CC..EExtended strand (participates in β ladder)trans-126.596.2176.2-52.4179000107.2F52 L341 L342 L352 L360 I361 G362F52-I339 HydrophobicContact CE1-CG2 4.44Å; I339-L341 PolarHBondContact O-N 2.85Å; I339-L342 HydrophobicContact CG2-CB 4.1Å; I339-L352 HydrophobicContact CD1-CD1 3.94Å; I339-L360 PolarHBondContact N-O 3.23Å; I339-I361 HydrophobicContact CB-CG1 4.16Å; I339-I361 HydrophobicContact CB-CG2 4.37Å; I339-I361 HydrophobicContact CD1-CD1 4.16Å; I339-I361 HydrophobicContact CD1-CG1 4.2Å; I339-I361 HydrophobicContact CG1-CG1 4.25Å; I339-I361 CarbonylContact O-C 3.55Å; I339-I361 WeakPolarHBondContact O-CA 3.33Å; I339-G362 PolarHBondContact O-N 2.91Å
340P96.5Very high91.3Very high0 Ų032.1 Ų32.10%017%0.173CC..SBendtrans-60-28.4-177.1-25.235.3000113.9S86 S319 I322 L323 V338S86-P340 WeakPolarHBondContact OG-CD 3.47Å; S86-P340 WeakPolarHBondContact OG-CG 3.45Å; S319-P340 PolarHBondContact OG-O 3.33Å; I322-P340 HydrophobicContact CB-CB 4.5Å; I322-P340 WeakPolarHBondContact CD1-O 3.36Å; I322-P340 HydrophobicContact CG2-CB 4.21Å; I322-P340 HydrophobicContact CG2-CG 4.21Å; L323-P340 HydrophobicContact CD2-CG 4Å; L323-P340 HydrophobicContact CG-CG 4.22Å; V338-P340 HydrophobicContact CG1-CG 4.48Å
341L96.7Very high91.2Very high0 Ų033.9 Ų33.90%018%0.182CC..  trans-148.6111.2177.1-179.167.4000109.9F52 P55 F83 F85 Y315 L318 I339 P364F52-L341 WeakPolarHBondContact CD1-O 3.41Å; F52-L341 VanDerWaalsContact CE1-O 3.23Å; F52-L341 WeakPolarHBondContact CE1-O 3.45Å; P55-L341 HydrophobicContact CB-CD2 4.35Å; P55-L341 HydrophobicContact CB-CG 4.46Å; P55-L341 HydrophobicContact CG-CD2 4.18Å; F83-L341 HydrophobicContact CD2-CD2 3.68Å; F83-L341 HydrophobicContact CE2-CD2 3.48Å; F83-L341 VanDerWaalsContact CE2-CD2 3.48Å; F83-L341 HydrophobicContact CZ-CD2 4.49Å; F85-L341 HydrophobicContact CB-CB 4.32Å; F85-L341 HydrophobicContact CB-CD2 4.48Å; Y315-L341 HydrophobicContact CD1-CD1 3.9Å; Y315-L341 HydrophobicContact CG-CD1 4.05Å; Y315-L341 HydrophobicContact CG-CD2 4.29Å; L318-L341 HydrophobicContact CD2-CD1 4.08Å; I339-L341 PolarHBondContact O-N 2.85Å; L341-P364 HydrophobicContact CD1-CG 4.15Å
342L95.9Very high91.2Very high1 Ų137 Ų371%0.00520%0.197CC..  trans-94.3117.8173177.761.6000109.8I339 A344 A349 L352 L353 I361 G362 V363 P364 F367I339-L342 HydrophobicContact CG2-CB 4.1Å; L342-A344 PolarHBondContact O-N 3.23Å; L342-A349 HydrophobicContact CD1-CB 4.04Å; L342-A349 HydrophobicContact CD2-CB 4.41Å; L342-A349 HydrophobicContact CG-CB 4.24Å; L342-L352 HydrophobicContact CD1-CD1 3.76Å; L342-L353 HydrophobicContact CD2-CD2 4.45Å; L342-L353 HydrophobicContact CD2-CG 4.38Å; L342-I361 HydrophobicContact CB-CG2 3.85Å; L342-I361 HydrophobicContact CD2-CG2 3.86Å; L342-I361 HydrophobicContact CG-CG2 4.5Å; L342-G362 WeakPolarHBondContact CB-O 3.48Å; L342-G362 PolarHBondContact N-O 3.05Å; L342-V363 HydrophobicContact CB-CG1 4.34Å; L342-V363 HydrophobicContact CD2-CG1 4.32Å; L342-P364 VanDerWaalsContact O-CD 3.25Å; L342-P364 WeakPolarHBondContact O-CD 3.46Å; L342-F367 HydrophobicContact CD2-CE2 3.97Å; L342-F367 HydrophobicContact CD2-CZ 4.12Å; L342-F367 HydrophobicContact CG-CE2 4.07Å
343P93.4Very high91.2Very high0 Ų036.5 Ų36.50%020%0.195CC..  trans-61.5130.8178.9-28.938.8000113.7F51 F52 P55 C345 M346F51-P343 HydrophobicContact CB-CB 3.97Å; F51-P343 HydrophobicContact CB-CG 4.01Å; F51-P343 WeakPolarHBondContact O-CG 3.49Å; F52-P343 HydrophobicContact CB-CG 4.47Å; F52-P343 HydrophobicContact CD1-CG 3.97Å; F52-P343 HydrophobicContact CD2-CG 4.14Å; F52-P343 HydrophobicContact CE1-CG 4.21Å; F52-P343 HydrophobicContact CE2-CG 4.35Å; F52-P343 HydrophobicContact CG-CG 3.94Å; F52-P343 HydrophobicContact CZ-CG 4.38Å; P55-P343 HydrophobicContact CB-CB 4.27Å; P55-P343 CarbonylContact O-C 3.51Å; P343-C345 VanDerWaalsContact C-N 3.31Å; P343-M346 HydrophobicContact CB-CB 3.84Å; P343-M346 HydrophobicContact CG-CB 4.49Å
344A90.4Very high91.3Very high4 Ų436.7 Ų36.73%0.03320%0.198CC..SBendtrans-71.6-24.1172.100000112.9P55 L342 F367 A370 R371P55-A344 PolarHBondContact O-N 3.03Å; L342-A344 PolarHBondContact O-N 3.23Å; A344-F367 HydrophobicContact CB-CB 4.29Å; A344-F367 HydrophobicContact CB-CD2 3.82Å; A344-F367 HydrophobicContact CB-CG 4.39Å; A344-A370 HydrophobicContact CB-CB 4.39Å; A344-R371 PolarHBondContact O-NH1 3.48Å
345C87.9Confident91.3Very high33 Ų3336.8 Ų36.822%0.22320%0.204CC..SBendtrans-87.6-13.5178.165.50000114.7Q54 P55 G57 P343Q54-C345 PolarHBondContact O-SG 3.3Å; P55-C345 PolarHBondContact O-N 3.28Å; P55-C345 PolarHBondContact O-SG 2.65Å; G57-C345 PolarHBondContact N-SG 3.19Å; P343-C345 VanDerWaalsContact C-N 3.31Å
346M89.1Confident91.6Very high38 Ų3840.6 Ų40.619%0.18723%0.232CC..SBendtrans-68.5134.9-179.6-179.3171.2-16800110.5D48 F51 F52 P343 A349 R371D48-M346 HydrophobicContact CB-CE 4Å; F51-M346 HydrophobicContact CB-CB 4.05Å; F51-M346 HydrophobicContact CD1-CB 4.43Å; F51-M346 HydrophobicContact CD2-CB 4.36Å; F51-M346 HydrophobicContact CD2-CG 4.15Å; F51-M346 HydrophobicContact CG-CB 4.05Å; F51-M346 HydrophobicContact CG-CG 4.34Å; F52-M346 HydrophobicContact CE2-SD 4.13Å; P343-M346 HydrophobicContact CB-CB 3.84Å; P343-M346 HydrophobicContact CG-CB 4.49Å; M346-A349 HydrophobicContact CB-CB 4.31Å; M346-A349 WeakPolarHBondContact O-CB 3.41Å; M346-R371 PolarHBondContact O-NH2 3.27Å
347P86.9Confident91.7Very high83 Ų8341.2 Ų41.254%0.53924%0.239SC..THydrogen-bonded Turntrans-57.3142.8175.7-24.934.8000112.1A349P347-A349 PolarHBondContact O-N 3Å
348D88.2Confident91.7Very high82 Ų8239 Ų3944%0.43923%0.225SC..THydrogen-bonded Turntrans55.213.5175.2-70.7-62000116.4E350 Q351D348-E350 PolarHBondContact O-N 3.47Å; D348-E350 VanDerWaalsContact O-N 3.11Å; D348-Q351 HydrophobicContact CB-CG 4.11Å; D348-Q351 VanDerWaalsContact O-CB 3.29Å; D348-Q351 WeakPolarHBondContact O-CB 3.2Å; D348-Q351 WeakPolarHBondContact O-CG 3.31Å; D348-Q351 PolarHBondContact O-N 3.48Å; D348-Q351 PolarHBondContact OD1-NE2 3.28Å
349A90.2Very high91.7Very high2 Ų237.8 Ų37.82%0.01722%0.218CC..G310 helixtrans-52.8-35.5179.900000113.4L342 M346 P347 Q351 L352 F367L342-A349 HydrophobicContact CD1-CB 4.04Å; L342-A349 HydrophobicContact CD2-CB 4.41Å; L342-A349 HydrophobicContact CG-CB 4.24Å; M346-A349 HydrophobicContact CB-CB 4.31Å; M346-A349 WeakPolarHBondContact O-CB 3.41Å; P347-A349 PolarHBondContact O-N 3Å; A349-Q351 PolarHBondContact O-N 3.01Å; A349-L352 WeakPolarHBondContact O-CB 3.33Å; A349-L352 PolarHBondContact O-N 2.94Å; A349-F367 HydrophobicContact CB-CE2 4.14Å; A349-F367 HydrophobicContact CB-CZ 4.28Å
350E89.4Confident91.8Very high43 Ų4336.4 Ų36.420%0.20121%0.21CC..G310 helixtrans-58.2-26.1174.254-98.8-111.400114.3D348 L352 L353 R371 F374D348-E350 PolarHBondContact O-N 3.47Å; D348-E350 VanDerWaalsContact O-N 3.11Å; E350-L352 PolarHBondContact O-N 3.05Å; E350-L353 WeakPolarHBondContact O-CB 3.45Å; E350-L353 PolarHBondContact O-N 3.46Å; E350-L353 VanDerWaalsContact O-N 3.17Å; E350-R371 WeakPolarHBondContact OE1-CD 3.32Å; E350-R371 IonicContact OE1-CZ 3.63Å; E350-R371 IonicContact OE1-NE 3.75Å; E350-R371 PolarHBondContact OE1-NE 3.28Å; E350-R371 IonicContact OE2-CZ 2.99Å; E350-R371 VanDerWaalsContact OE2-CZ 3.31Å; E350-R371 IonicContact OE2-NE 2.87Å; E350-R371 PolarHBondContact OE2-NE 3.12Å; E350-R371 IonicContact OE2-NH2 3.37Å; E350-R371 PolarHBondContact OE2-NH2 2.85Å; E350-F374 HydrophobicContact CB-CB 4.49Å; E350-F374 HydrophobicContact CB-CD2 3.67Å; E350-F374 HydrophobicContact CB-CE2 4.03Å; E350-F374 HydrophobicContact CB-CG 4.06Å
351Q89.9Confident91.8Very high66 Ų6636.6 Ų36.631%0.30821%0.211SC..G310 helixtrans-65.9-26.8178.3-60.3-166.230.300112.3D348 A349 L353 L354D348-Q351 HydrophobicContact CB-CG 4.11Å; D348-Q351 VanDerWaalsContact O-CB 3.29Å; D348-Q351 WeakPolarHBondContact O-CB 3.2Å; D348-Q351 WeakPolarHBondContact O-CG 3.31Å; D348-Q351 PolarHBondContact O-N 3.48Å; D348-Q351 PolarHBondContact OD1-NE2 3.28Å; A349-Q351 PolarHBondContact O-N 3.01Å; Q351-L353 VanDerWaalsContact C-N 3.3Å; Q351-L353 PolarHBondContact O-N 2.96Å; Q351-L354 WeakPolarHBondContact O-CB 3.5Å; Q351-L354 PolarHBondContact O-N 2.84Å; Q351-L354 VanDerWaalsContact O-N 3.08Å
352L90.9Very high91.9Very high82 Ų8236.6 Ų36.643%0.42921%0.211SC..G310 helixtrans-68.1-31.8176.2-60.7176.9000111.8I339 L342 A349 E350 L354 A355 I361I339-L352 HydrophobicContact CD1-CD1 3.94Å; L342-L352 HydrophobicContact CD1-CD1 3.76Å; A349-L352 WeakPolarHBondContact O-CB 3.33Å; A349-L352 PolarHBondContact O-N 2.94Å; E350-L352 PolarHBondContact O-N 3.05Å; L352-L354 PolarHBondContact O-N 3.12Å; L352-A355 WeakPolarHBondContact O-CB 3.43Å; L352-A355 PolarHBondContact O-N 2.7Å; L352-I361 HydrophobicContact CB-CD1 4.39Å
353L92.4Very high91.9Very high0 Ų036.5 Ų36.50%021%0.211CC..G310 helixtrans-75.9-7.3173-56.8177.6000112.9V309 L342 E350 Q351 Y359 I361 V363 F367 F374V309-L353 HydrophobicContact CG2-CD2 3.85Å; L342-L353 HydrophobicContact CD2-CD2 4.45Å; L342-L353 HydrophobicContact CD2-CG 4.38Å; E350-L353 WeakPolarHBondContact O-CB 3.45Å; E350-L353 PolarHBondContact O-N 3.46Å; E350-L353 VanDerWaalsContact O-N 3.17Å; Q351-L353 VanDerWaalsContact C-N 3.3Å; Q351-L353 PolarHBondContact O-N 2.96Å; L353-Y359 HydrophobicContact CD2-CE2 4.39Å; L353-Y359 PolarHBondContact O-OH 2.82Å; L353-Y359 VanDerWaalsContact O-OH 3.07Å; L353-I361 HydrophobicContact CD2-CB 4.18Å; L353-I361 HydrophobicContact CD2-CD1 3.97Å; L353-I361 HydrophobicContact CD2-CG2 3.9Å; L353-V363 HydrophobicContact CD1-CG1 4.45Å; L353-F367 HydrophobicContact CD1-CD1 4.45Å; L353-F367 HydrophobicContact CD1-CE1 3.63Å; L353-F367 HydrophobicContact CD1-CZ 3.98Å; L353-F374 HydrophobicContact CB-CE2 4.33Å; L353-F374 HydrophobicContact CB-CZ 3.69Å; L353-F374 HydrophobicContact CD1-CE1 3.69Å; L353-F374 HydrophobicContact CD1-CZ 3.7Å; L353-F374 HydrophobicContact CG-CZ 4.35Å
354L91.2Very high91.9Very high101 Ų10136.5 Ų36.553%0.52921%0.211SC..G310 helixtrans-97.64.7173.7-59.1-179.6000112.7Q351 L352 F374 P377Q351-L354 WeakPolarHBondContact O-CB 3.5Å; Q351-L354 PolarHBondContact O-N 2.84Å; Q351-L354 VanDerWaalsContact O-N 3.08Å; L352-L354 PolarHBondContact O-N 3.12Å; L354-F374 HydrophobicContact CD2-CE2 3.91Å; L354-F374 HydrophobicContact CG-CE2 4.25Å; L354-P377 HydrophobicContact CD2-CG 3.68Å
355A90.5Very high92Very high24 Ų2438.6 Ų38.620%0.19822%0.223CC..  trans-58.1137.6-179.300000111.7K307 L352 T357 Y359K307-A355 WeakPolarHBondContact CE-O 3.46Å; K307-A355 PolarHBondContact NZ-O 3.01Å; L352-A355 WeakPolarHBondContact O-CB 3.43Å; L352-A355 PolarHBondContact O-N 2.7Å; A355-T357 VanDerWaalsContact C-N 3.32Å; A355-Y359 HydrophobicContact CB-CD1 4.06Å; A355-Y359 HydrophobicContact CB-CE1 4.21Å
356P90.4Very high92Very high122 Ų12239.6 Ų39.679%0.79223%0.228SC*.SBendtrans-77.4-19.9177.431.6-35.4000112.7
357T91.6Very high92Very high59 Ų5937.8 Ų37.836%0.36222%0.219SC..SBendtrans-78.3162.7175.349.50000111.7K307 A355 Y359K307-T357 WeakPolarHBondContact CE-O 3.43Å; A355-T357 VanDerWaalsContact C-N 3.32Å; T357-Y359 WeakPolarHBondContact O-CD1 3.48Å
358P93.5Very high91.9Very high23 Ų2336.4 Ų36.415%0.14920%0.204CC..  trans-57.7158.6164.3-18.331.1000111.8E305 F336E305-P358 HydrophobicContact CB-CB 4.34Å; E305-P358 HydrophobicContact CB-CG 3.92Å; E305-P358 WeakPolarHBondContact O-CB 3.23Å; E305-P358 WeakPolarHBondContact O-CG 3.46Å; F336-P358 HydrophobicContact CB-CB 4.27Å; F336-P358 WeakPolarHBondContact CB-O 3.4Å; F336-P358 HydrophobicContact CD1-CB 4.01Å; F336-P358 HydrophobicContact CD1-CG 3.92Å; F336-P358 HydrophobicContact CD2-CB 3.92Å; F336-P358 HydrophobicContact CD2-CG 4.21Å; F336-P358 HydrophobicContact CE1-CB 4.36Å; F336-P358 HydrophobicContact CE1-CG 3.79Å; F336-P358 HydrophobicContact CE2-CB 4.29Å; F336-P358 HydrophobicContact CE2-CG 4.11Å; F336-P358 HydrophobicContact CG-CB 3.78Å; F336-P358 HydrophobicContact CG-CG 4.13Å; F336-P358 HydrophobicContact CZ-CB 4.5Å; F336-P358 HydrophobicContact CZ-CG 3.89Å
359Y95.6Very high91.6Very high2 Ų237.5 Ų37.51%0.00821%0.214CC..EExtended strand (participates in β ladder)trans-166.5162.317455.2-104.2000111.3K307 V308 V309 Y334 P337 L353 A355 T357 I361 V380K307-Y359 HydrophobicContact CB-CD1 4.48Å; K307-Y359 HydrophobicContact CB-CE1 4.01Å; K307-Y359 HydrophobicContact CB-CE2 4.11Å; K307-Y359 HydrophobicContact CD-CD1 4.48Å; K307-Y359 HydrophobicContact CD-CE1 3.69Å; K307-Y359 HydrophobicContact CG-CD1 4.05Å; K307-Y359 HydrophobicContact CG-CE1 3.67Å; V308-Y359 PolarHBondContact N-O 3.11Å; V309-Y359 HydrophobicContact CG2-CE2 3.86Å; Y334-Y359 WeakPolarHBondContact OH-CA 3.35Å; Y334-Y359 PolarHBondContact OH-O 3.13Å; P337-Y359 WeakPolarHBondContact O-CA 3.33Å; L353-Y359 HydrophobicContact CD2-CE2 4.39Å; L353-Y359 PolarHBondContact O-OH 2.82Å; L353-Y359 VanDerWaalsContact O-OH 3.07Å; A355-Y359 HydrophobicContact CB-CD1 4.06Å; A355-Y359 HydrophobicContact CB-CE1 4.21Å; T357-Y359 WeakPolarHBondContact O-CD1 3.48Å; Y359-I361 HydrophobicContact CD2-CB 4.21Å; Y359-I361 HydrophobicContact CD2-CD1 3.59Å; Y359-I361 HydrophobicContact CD2-CG1 3.69Å; Y359-I361 HydrophobicContact CE2-CD1 4.08Å; Y359-I361 HydrophobicContact CE2-CG1 4.41Å; Y359-I361 HydrophobicContact CG-CD1 3.87Å; Y359-I361 HydrophobicContact CG-CG1 4.2Å; Y359-V380 VanDerWaalsContact OH-CG2 3.22Å; Y359-V380 WeakPolarHBondContact OH-CG2 3.43Å
360L97.1Very high91Very high0 Ų040.2 Ų40.20%024%0.236CC..EExtended strand (participates in β ladder)trans-126.2110.6167.1173.757.2000109.4L302 V308 L310 I322 V326 Y334 P337 V338 I339L302-L360 HydrophobicContact CD1-CD2 3.91Å; L302-L360 HydrophobicContact CD2-CB 3.95Å; L302-L360 HydrophobicContact CD2-CD1 4.21Å; L302-L360 HydrophobicContact CD2-CD2 3.92Å; L302-L360 HydrophobicContact CD2-CG 4.24Å; V308-L360 HydrophobicContact CB-CD1 3.94Å; V308-L360 HydrophobicContact CG1-CD1 3.75Å; V308-L360 WeakPolarHBondContact O-CA 3.49Å; L310-L360 HydrophobicContact CD1-CD1 4.03Å; I322-L360 HydrophobicContact CG1-CD1 4.28Å; I322-L360 HydrophobicContact CG1-CG 4.39Å; I322-L360 HydrophobicContact CG2-CD2 3.85Å; I322-L360 HydrophobicContact CG2-CG 3.99Å; V326-L360 HydrophobicContact CG2-CD2 3.67Å; Y334-L360 HydrophobicContact CE1-CB 4.34Å; P337-L360 PolarHBondContact O-N 3.48Å; V338-L360 WeakPolarHBondContact CA-O 3.47Å; V338-L360 HydrophobicContact CG1-CD2 4.49Å; I339-L360 PolarHBondContact N-O 3.23Å
361I97.3Very high90.6Very high3 Ų340.4 Ų40.42%0.01524%0.235CC..EExtended strand (participates in β ladder)trans-127.7131.2-172.8-63.4175.8000110.8V308 V309 L310 I339 L342 L352 L353 Y359 V363V308-I361 PolarHBondContact O-N 3.27Å; V309-I361 CarbonylContact C-O 3.6Å; V309-I361 VanDerWaalsContact CA-O 3.22Å; V309-I361 WeakPolarHBondContact CA-O 2.93Å; L310-I361 PolarHBondContact N-O 2.97Å; I339-I361 HydrophobicContact CB-CG1 4.16Å; I339-I361 HydrophobicContact CB-CG2 4.37Å; I339-I361 HydrophobicContact CD1-CD1 4.16Å; I339-I361 HydrophobicContact CD1-CG1 4.2Å; I339-I361 HydrophobicContact CG1-CG1 4.25Å; I339-I361 CarbonylContact O-C 3.55Å; I339-I361 WeakPolarHBondContact O-CA 3.33Å; L342-I361 HydrophobicContact CB-CG2 3.85Å; L342-I361 HydrophobicContact CD2-CG2 3.86Å; L342-I361 HydrophobicContact CG-CG2 4.5Å; L352-I361 HydrophobicContact CB-CD1 4.39Å; L353-I361 HydrophobicContact CD2-CB 4.18Å; L353-I361 HydrophobicContact CD2-CD1 3.97Å; L353-I361 HydrophobicContact CD2-CG2 3.9Å; Y359-I361 HydrophobicContact CD2-CB 4.21Å; Y359-I361 HydrophobicContact CD2-CD1 3.59Å; Y359-I361 HydrophobicContact CD2-CG1 3.69Å; Y359-I361 HydrophobicContact CE2-CD1 4.08Å; Y359-I361 HydrophobicContact CE2-CG1 4.41Å; Y359-I361 HydrophobicContact CG-CD1 3.87Å; Y359-I361 HydrophobicContact CG-CG1 4.2Å; I361-V363 HydrophobicContact CG2-CG1 4.22Å
362G97.7Very high89.7Confident0 Ų046.2 Ų46.20%026%0.259CS..EExtended strand (participates in β ladder)trans-94.2132.417000000111.2L310 I322 I339 L342L310-G362 CarbonylContact O-C 3.53Å; L310-G362 WeakPolarHBondContact O-CA 3.49Å; I322-G362 VanDerWaalsContact CD1-N 3.31Å; I339-G362 PolarHBondContact O-N 2.91Å; L342-G362 WeakPolarHBondContact CB-O 3.48Å; L342-G362 PolarHBondContact N-O 3.05Å
363V95.9Very high89.2Confident0 Ų050.3 Ų50.30%028%0.28CS..EExtended strand (participates in β ladder)trans-122.5144.3173-62.20000111.8V309 L310 Q311 S312 L318 L342 L353 I361 F367 Y368V309-V363 HydrophobicContact CG1-CG1 4.33Å; V309-V363 HydrophobicContact CG1-CG2 3.78Å; L310-V363 PolarHBondContact O-N 3.18Å; Q311-V363 VanDerWaalsContact CA-O 3.31Å; Q311-V363 WeakPolarHBondContact CA-O 3.46Å; Q311-V363 HydrophobicContact CB-CG2 3.97Å; S312-V363 PolarHBondContact N-O 2.94Å; L318-V363 WeakPolarHBondContact CD2-O 3.45Å; L342-V363 HydrophobicContact CB-CG1 4.34Å; L342-V363 HydrophobicContact CD2-CG1 4.32Å; L353-V363 HydrophobicContact CD1-CG1 4.45Å; I361-V363 HydrophobicContact CG2-CG1 4.22Å; V363-F367 HydrophobicContact CB-CB 3.96Å; V363-F367 HydrophobicContact CB-CD2 4.17Å; V363-F367 HydrophobicContact CB-CG 4.01Å; V363-F367 HydrophobicContact CG1-CD1 4.4Å; V363-F367 HydrophobicContact CG1-CD2 4.07Å; V363-F367 HydrophobicContact CG1-CE2 4.33Å; V363-F367 HydrophobicContact CG1-CG 4.13Å; V363-F367 HydrophobicContact CG2-CB 4.42Å; V363-Y368 HydrophobicContact CG2-CE2 3.94Å
364P94.7Very high88.7Confident0 Ų051.8 Ų51.80%029%0.286CS..EExtended strand (participates in β ladder)trans-54.6141.5163-27.436.8000111.5P55 S312 Y315 L341 L342 T366 F367P55-P364 HydrophobicContact CB-CG 4.32Å; S312-P364 WeakPolarHBondContact O-CA 3.4Å; Y315-P364 HydrophobicContact CD1-CG 4.31Å; Y315-P364 HydrophobicContact CE1-CB 3.99Å; Y315-P364 HydrophobicContact CE1-CG 3.96Å; L341-P364 HydrophobicContact CD1-CG 4.15Å; L342-P364 VanDerWaalsContact O-CD 3.25Å; L342-P364 WeakPolarHBondContact O-CD 3.46Å; P364-T366 VanDerWaalsContact CB-OG1 3.31Å; P364-T366 WeakPolarHBondContact CB-OG1 3.4Å; P364-T366 PolarHBondContact O-N 3.34Å; P364-F367 WeakPolarHBondContact O-CB 3.49Å; P364-F367 PolarHBondContact O-N 3.26Å
365T91.3Very high88.3Confident48 Ų4857.5 Ų57.529%0.29430%0.301SS..THydrogen-bonded Turntrans-56.9-23.3173.7-55.30000112.4S312 S313 F367 D386S312-T365 VanDerWaalsContact CA-OG1 3.29Å; S312-T365 WeakPolarHBondContact CA-OG1 3.34Å; S312-T365 PolarHBondContact N-OG1 3.08Å; S312-T365 PolarHBondContact O-N 3.07Å; S312-T365 PolarHBondContact O-OG1 3.07Å; S313-T365 PolarHBondContact N-OG1 2.84Å; S313-T365 VanDerWaalsContact N-OG1 3.17Å; T365-F367 VanDerWaalsContact C-N 3.35Å; T365-D386 PolarHBondContact OG1-OD2 3.32Å
366T88.1Confident88Confident53 Ų5358.5 Ų58.533%0.32530%0.302SS..THydrogen-bonded Turntrans-73.5-16.6174.154.40000114.7E56 P364 Y368 T369 A370E56-T366 VanDerWaalsContact CD-OG1 3.28Å; E56-T366 VanDerWaalsContact OE1-CB 3.32Å; E56-T366 WeakPolarHBondContact OE1-CB 3.49Å; E56-T366 WeakPolarHBondContact OE1-CG2 3.48Å; E56-T366 PolarHBondContact OE1-OG1 3Å; P364-T366 VanDerWaalsContact CB-OG1 3.31Å; P364-T366 WeakPolarHBondContact CB-OG1 3.4Å; P364-T366 PolarHBondContact O-N 3.34Å; T366-Y368 PolarHBondContact O-N 3.04Å; T366-T369 WeakPolarHBondContact O-CA 3.44Å; T366-T369 WeakPolarHBondContact O-CB 3.5Å; T366-T369 PolarHBondContact O-N 3.27Å; T366-A370 PolarHBondContact O-N 3.36Å
367F90.3Very high87.8Confident0 Ų054 Ų540%027%0.273CS..Hα-helixtrans-52.9-50.5-171.2-174.3-84.5000113L342 A344 A349 L353 V363 P364 T365 T369 A370 R371 F374L342-F367 HydrophobicContact CD2-CE2 3.97Å; L342-F367 HydrophobicContact CD2-CZ 4.12Å; L342-F367 HydrophobicContact CG-CE2 4.07Å; A344-F367 HydrophobicContact CB-CB 4.29Å; A344-F367 HydrophobicContact CB-CD2 3.82Å; A344-F367 HydrophobicContact CB-CG 4.39Å; A349-F367 HydrophobicContact CB-CE2 4.14Å; A349-F367 HydrophobicContact CB-CZ 4.28Å; L353-F367 HydrophobicContact CD1-CD1 4.45Å; L353-F367 HydrophobicContact CD1-CE1 3.63Å; L353-F367 HydrophobicContact CD1-CZ 3.98Å; V363-F367 HydrophobicContact CB-CB 3.96Å; V363-F367 HydrophobicContact CB-CD2 4.17Å; V363-F367 HydrophobicContact CB-CG 4.01Å; V363-F367 HydrophobicContact CG1-CD1 4.4Å; V363-F367 HydrophobicContact CG1-CD2 4.07Å; V363-F367 HydrophobicContact CG1-CE2 4.33Å; V363-F367 HydrophobicContact CG1-CG 4.13Å; V363-F367 HydrophobicContact CG2-CB 4.42Å; P364-F367 WeakPolarHBondContact O-CB 3.49Å; P364-F367 PolarHBondContact O-N 3.26Å; T365-F367 VanDerWaalsContact C-N 3.35Å; F367-T369 VanDerWaalsContact C-N 3.28Å; F367-T369 PolarHBondContact O-N 3.5Å; F367-A370 PolarHBondContact O-N 3.27Å; F367-R371 PolarHBondContact O-N 2.8Å; F367-F374 HydrophobicContact CE1-CD1 4.49Å
368Y84.6Confident87.5Confident54 Ų5457.9 Ų57.921%0.21229%0.285CS..Hα-helixtrans-67-28.5178.8-46.5-84.1000113V363 T366 R371 F374 M376V363-Y368 HydrophobicContact CG2-CE2 3.94Å; T366-Y368 PolarHBondContact O-N 3.04Å; Y368-R371 CarbonylContact O-C 3.53Å; Y368-R371 VanDerWaalsContact O-C 3.28Å; Y368-R371 PolarHBondContact O-N 3.27Å; Y368-F374 HydrophobicContact CD1-CD1 4.25Å; Y368-F374 HydrophobicContact CD1-CE1 4.43Å; Y368-F374 HydrophobicContact CE1-CE1 4.25Å; Y368-M376 HydrophobicContact CE1-CE 3.84Å; Y368-M376 WeakPolarHBondContact OH-CE 3.3Å
369T82Confident87.3Confident105 Ų10559.4 Ų59.464%0.64429%0.292SS*.Hα-helixtrans-73.1-36.2175.6-58.40000111.2T366 F367 R371 K372T366-T369 WeakPolarHBondContact O-CA 3.44Å; T366-T369 WeakPolarHBondContact O-CB 3.5Å; T366-T369 PolarHBondContact O-N 3.27Å; F367-T369 VanDerWaalsContact C-N 3.28Å; F367-T369 PolarHBondContact O-N 3.5Å; T369-R371 VanDerWaalsContact C-N 3.34Å; T369-K372 WeakPolarHBondContact O-CG 3.47Å
370A77.6Confident87.1Confident60 Ų6059.7 Ų59.750%0.49629%0.293SS..Hα-helixtrans-69.9-30.3171.300000112.3A344 T366 F367A344-A370 HydrophobicContact CB-CB 4.39Å; T366-A370 PolarHBondContact O-N 3.36Å; F367-A370 PolarHBondContact O-N 3.27Å
371R80.2Confident86.9Confident47 Ų4760 Ų6018%0.17730%0.295CS..THydrogen-bonded Turntrans-11161-179-67.3-53.8-156.4-78.6-19.1113.8A344 M346 E350 F367 Y368 T369 I373 F374A344-R371 PolarHBondContact O-NH1 3.48Å; M346-R371 PolarHBondContact O-NH2 3.27Å; E350-R371 WeakPolarHBondContact OE1-CD 3.32Å; E350-R371 IonicContact OE1-CZ 3.63Å; E350-R371 IonicContact OE1-NE 3.75Å; E350-R371 PolarHBondContact OE1-NE 3.28Å; E350-R371 IonicContact OE2-CZ 2.99Å; E350-R371 VanDerWaalsContact OE2-CZ 3.31Å; E350-R371 IonicContact OE2-NE 2.87Å; E350-R371 PolarHBondContact OE2-NE 3.12Å; E350-R371 IonicContact OE2-NH2 3.37Å; E350-R371 PolarHBondContact OE2-NH2 2.85Å; F367-R371 PolarHBondContact O-N 2.8Å; Y368-R371 CarbonylContact O-C 3.53Å; Y368-R371 VanDerWaalsContact O-C 3.28Å; Y368-R371 PolarHBondContact O-N 3.27Å; T369-R371 VanDerWaalsContact C-N 3.34Å; R371-I373 PolarHBondContact O-N 2.84Å; R371-F374 HydrophobicContact CB-CB 3.94Å; R371-F374 WeakPolarHBondContact O-CB 3.37Å; R371-F374 PolarHBondContact O-N 3.14Å
372K71.5Confident86.7Confident187 Ų18761.4 Ų61.481%0.81330%0.302SS*.THydrogen-bonded Turntrans-50.8-21.1-176.8-61.2-174.7179.9-179.90117.2T369T369-K372 WeakPolarHBondContact O-CG 3.47Å
373I79.5Confident86.5Confident169 Ų16961.4 Ų61.487%0.86730%0.302SS*.THydrogen-bonded Turntrans-91.3-27.4179.1-59.4176000111.3R371R371-I373 PolarHBondContact O-N 2.84Å
374F83.2Confident86.5Confident30 Ų3062.7 Ų62.713%0.13231%0.309CS..  trans-71142.2-178.6-179.6-104.3000111.5E350 L353 L354 F367 Y368 R371E350-F374 HydrophobicContact CB-CB 4.49Å; E350-F374 HydrophobicContact CB-CD2 3.67Å; E350-F374 HydrophobicContact CB-CE2 4.03Å; E350-F374 HydrophobicContact CB-CG 4.06Å; L353-F374 HydrophobicContact CB-CE2 4.33Å; L353-F374 HydrophobicContact CB-CZ 3.69Å; L353-F374 HydrophobicContact CD1-CE1 3.69Å; L353-F374 HydrophobicContact CD1-CZ 3.7Å; L353-F374 HydrophobicContact CG-CZ 4.35Å; L354-F374 HydrophobicContact CD2-CE2 3.91Å; L354-F374 HydrophobicContact CG-CE2 4.25Å; F367-F374 HydrophobicContact CE1-CD1 4.49Å; Y368-F374 HydrophobicContact CD1-CD1 4.25Å; Y368-F374 HydrophobicContact CD1-CE1 4.43Å; Y368-F374 HydrophobicContact CE1-CE1 4.25Å; R371-F374 HydrophobicContact CB-CB 3.94Å; R371-F374 WeakPolarHBondContact O-CB 3.37Å; R371-F374 PolarHBondContact O-N 3.14Å
375R82.1Confident86.5Confident222 Ų22262.9 Ų62.984%0.83831%0.31SS*.  trans-130.7136.1168.9-65.1-175.2178.4-168.2-0.8107.7
376M83.9Confident86.6Confident44 Ų4463.6 Ų63.622%0.21731%0.312CS..  trans-57.7134.2176.3-170.26585.700110.4V309 Y368 V380V309-M376 HydrophobicContact CB-CE 3.87Å; V309-M376 HydrophobicContact CG1-CE 3.86Å; V309-M376 HydrophobicContact CG2-CE 3.7Å; V309-M376 HydrophobicContact CG2-SD 4.27Å; Y368-M376 HydrophobicContact CE1-CE 3.84Å; Y368-M376 WeakPolarHBondContact OH-CE 3.3Å; M376-V380 HydrophobicContact CE-CG1 4.36Å; M376-V380 HydrophobicContact CG-CB 3.97Å; M376-V380 HydrophobicContact CG-CG1 4.23Å; M376-V380 HydrophobicContact CG-CG2 4.41Å; M376-V380 HydrophobicContact SD-CB 4.03Å; M376-V380 HydrophobicContact SD-CG1 3.81Å; M376-V380 HydrophobicContact SD-CG2 4.16Å
377P86.3Confident86.8Confident28 Ų2865.7 Ų65.718%0.18233%0.325CS..  trans-59.4149.2171.7-25.536.3000112.4L354 D379 V380L354-P377 HydrophobicContact CD2-CG 3.68Å; P377-D379 WeakPolarHBondContact CB-OD1 3.36Å; P377-D379 PolarHBondContact O-N 2.87Å; P377-V380 HydrophobicContact CB-CG2 4Å; P377-V380 HydrophobicContact CG-CG2 4.37Å; P377-V380 PolarHBondContact O-N 3.09Å
378K84.6Confident86.8Confident140 Ų14066.1 Ų66.161%0.60933%0.329SS*.THydrogen-bonded Turntrans-75.8-1.3-173.1-62.4-171.1177-172.70114.6P393 M394 V395K378-P393 WeakPolarHBondContact O-CA 3.38Å; K378-P393 WeakPolarHBondContact O-CB 3.13Å; K378-M394 PolarHBondContact O-N 3.12Å; K378-V395 HydrophobicContact CB-CB 4.3Å; K378-V395 HydrophobicContact CB-CG2 3.63Å; K378-V395 HydrophobicContact CD-CG2 3.89Å; K378-V395 HydrophobicContact CG-CG2 4.45Å
379D89.4Confident87.1Confident56 Ų5668.3 Ų68.330%0.29934%0.341SS..THydrogen-bonded Turntrans-108.417.6-178.561.3-46.2000113K307 P377 V396K307-D379 WeakPolarHBondContact CE-OD2 3.34Å; K307-D379 IonicContact NZ-OD2 3.36Å; K307-D379 PolarHBondContact NZ-OD2 2.88Å; P377-D379 WeakPolarHBondContact CB-OD1 3.36Å; P377-D379 PolarHBondContact O-N 2.87Å; D379-V396 HydrophobicContact CB-CG2 3.91Å
380V91.2Very high87.4Confident7 Ų763.6 Ų63.64%0.04231%0.312CS..EExtended strand (participates in β ladder)trans-115132.2-177-176.20000110.6K307 V309 Y359 M376 P377K307-V380 HydrophobicContact CB-CB 4.47Å; K307-V380 HydrophobicContact CB-CG1 4.39Å; K307-V380 HydrophobicContact CB-CG2 4.07Å; K307-V380 HydrophobicContact CD-CG2 4.08Å; V309-V380 HydrophobicContact CB-CG1 4.23Å; V309-V380 HydrophobicContact CG2-CG1 3.63Å; Y359-V380 VanDerWaalsContact OH-CG2 3.22Å; Y359-V380 WeakPolarHBondContact OH-CG2 3.43Å; M376-V380 HydrophobicContact CE-CG1 4.36Å; M376-V380 HydrophobicContact CG-CB 3.97Å; M376-V380 HydrophobicContact CG-CG1 4.23Å; M376-V380 HydrophobicContact CG-CG2 4.41Å; M376-V380 HydrophobicContact SD-CB 4.03Å; M376-V380 HydrophobicContact SD-CG1 3.81Å; M376-V380 HydrophobicContact SD-CG2 4.16Å; P377-V380 HydrophobicContact CB-CG2 4Å; P377-V380 HydrophobicContact CG-CG2 4.37Å; P377-V380 PolarHBondContact O-N 3.09Å
381W92.7Very high87.9Confident8 Ų863.6 Ų63.63%0.0331%0.308CS..EExtended strand (participates in β ladder)trans-80.8123169.3-67.778.9000109.4R297 C301 K307 V308 V309 L390 Y392 P393 I399R297-W381 HydrophobicContact CG-CZ3 4.43Å; C301-W381 VanDerWaalsContact SG-CD2 3.58Å; K307-W381 PolarHBondContact O-N 2.74Å; V308-W381 HydrophobicContact CG2-CB 4.47Å; V309-W381 PolarHBondContact N-O 3.49Å; W381-L390 HydrophobicContact CE3-CD1 4.29Å; W381-L390 HydrophobicContact CE3-CD2 4.47Å; W381-L390 HydrophobicContact CE3-CG 4.39Å; W381-L390 HydrophobicContact CZ3-CD2 4.46Å; W381-Y392 HydrophobicContact CE3-CD1 4.42Å; W381-Y392 AromaticContact CH2-CD1 3.54Å; W381-Y392 HydrophobicContact CH2-CD1 3.54Å; W381-Y392 HydrophobicContact CH2-CE1 4Å; W381-Y392 AromaticContact CZ3-CD1 3.33Å; W381-Y392 HydrophobicContact CZ3-CD1 3.33Å; W381-Y392 AromaticContact CZ3-CE1 3.62Å; W381-Y392 HydrophobicContact CZ3-CE1 3.62Å; W381-Y392 HydrophobicContact CZ3-CG 4.11Å; W381-P393 HydrophobicContact CD2-CG 4.07Å; W381-P393 VanDerWaalsContact CE2-CD 3.49Å; W381-P393 HydrophobicContact CG-CG 4.24Å; W381-P393 HydrophobicContact CZ2-CG 3.98Å; W381-I399 HydrophobicContact CD2-CD1 4.37Å; W381-I399 HydrophobicContact CH2-CD1 3.92Å; W381-I399 HydrophobicContact CH2-CG1 4.3Å; W381-I399 HydrophobicContact CZ2-CB 4.43Å; W381-I399 HydrophobicContact CZ2-CD1 3.32Å; W381-I399 HydrophobicContact CZ2-CG1 3.66Å
382L93.7Very high87.8Confident32 Ų3268.3 Ų68.317%0.16833%0.327CS..EExtended strand (participates in β ladder)trans-113.1117.3176.3170.765.8000110.2V309 Q311 S391V309-L382 HydrophobicContact CB-CD1 4.12Å; V309-L382 HydrophobicContact CG1-CD1 3.84Å; V309-L382 WeakPolarHBondContact O-CA 3.14Å; Q311-L382 HydrophobicContact CB-CD1 4.27Å; Q311-L382 HydrophobicContact CG-CD1 4.12Å; L382-S391 WeakPolarHBondContact CB-OG 3.14Å; L382-S391 PolarHBondContact O-N 3.31Å; L382-S391 PolarHBondContact O-OG 2.98Å
383A94.8Very high88.1Confident0 Ų060.3 Ų60.30%029%0.294CS..EExtended strand (participates in β ladder)trans-103.7135.4172.300000110.8M290 L298 V309 L310 Q311 E389 L390M290-A383 HydrophobicContact CE-CB 3.78Å; M290-A383 HydrophobicContact SD-CB 4.24Å; L298-A383 HydrophobicContact CD1-CB 3.97Å; L298-A383 HydrophobicContact CD2-CB 4.16Å; V309-A383 PolarHBondContact O-N 3.06Å; L310-A383 CarbonylContact C-O 3.56Å; L310-A383 WeakPolarHBondContact CA-O 3.47Å; L310-A383 HydrophobicContact CD1-CB 3.98Å; L310-A383 HydrophobicContact CG-CB 4.03Å; Q311-A383 PolarHBondContact N-O 3.16Å; A383-E389 WeakPolarHBondContact CA-O 3.3Å; A383-L390 HydrophobicContact CB-CD1 3.9Å
384D94.6Very high87.4Confident26 Ų2660.1 Ų60.114%0.13929%0.292CS..EExtended strand (participates in β ladder)trans-110114.8177.7-176.3-44.3000109.3Q311 D386 T387 G388 E389Q311-D384 HydrophobicContact CG-CB 3.92Å; Q311-D384 PolarHBondContact NE2-OD2 3.18Å; D384-D386 VanDerWaalsContact C-N 3.31Å; D384-D386 WeakPolarHBondContact OD1-CA 3.27Å; D384-D386 WeakPolarHBondContact OD1-CB 3.44Å; D384-D386 PolarHBondContact OD1-N 2.71Å; D384-T387 VanDerWaalsContact CB-OG1 3.31Å; D384-T387 WeakPolarHBondContact CB-OG1 3.39Å; D384-T387 PolarHBondContact OD1-N 2.66Å; D384-T387 PolarHBondContact OD1-OG1 2.66Å; D384-T387 VanDerWaalsContact OD1-OG1 3.08Å; D384-G388 CarbonylContact O-C 3.5Å; D384-G388 WeakPolarHBondContact O-CA 3.22Å; D384-G388 PolarHBondContact O-N 3.2Å; D384-E389 PolarHBondContact N-O 3.37Å; D384-E389 PolarHBondContact O-N 3.33Å
385L94.9Very high86.4Confident4 Ų463.5 Ų63.52%0.02132%0.315CS..THydrogen-bonded Turntrans-84.5-5-177.2-54.3-179.6000113.1I289 M290 L310 Q311 K317 L318 T321I289-L385 HydrophobicContact CG2-CB 4.1Å; I289-L385 HydrophobicContact CG2-CD2 4.17Å; M290-L385 HydrophobicContact CG-CD2 4.08Å; M290-L385 HydrophobicContact SD-CD2 3.72Å; L310-L385 HydrophobicContact CB-CD1 4.42Å; L310-L385 HydrophobicContact CD2-CD1 4.22Å; L310-L385 HydrophobicContact CD2-CD2 4.16Å; L310-L385 HydrophobicContact CG-CD2 4.3Å; Q311-L385 WeakPolarHBondContact O-CB 3.35Å; Q311-L385 PolarHBondContact O-N 2.87Å; K317-L385 WeakPolarHBondContact CE-O 3.05Å; K317-L385 PolarHBondContact NZ-O 3.47Å; L318-L385 HydrophobicContact CB-CD1 4.43Å; L318-L385 HydrophobicContact CD1-CD1 3.87Å; T321-L385 HydrophobicContact CG2-CD1 4.13Å; T321-L385 HydrophobicContact CG2-CD2 4.04Å
386D92.7Very high85.5Confident63 Ų6355 Ų5534%0.33729%0.287SS..THydrogen-bonded Turntrans-95.4-29.7177.5-63.7-9.7000111.3S312 S313 K317 T365 D384S312-D386 WeakPolarHBondContact CB-OD1 3.08Å; S312-D386 PolarHBondContact OG-OD1 3.42Å; S313-D386 VanDerWaalsContact CB-OD2 3.31Å; S313-D386 WeakPolarHBondContact CB-OD2 2.89Å; S313-D386 PolarHBondContact N-OD2 2.82Å; S313-D386 PolarHBondContact OG-OD2 2.98Å; K317-D386 WeakPolarHBondContact CE-OD1 3.26Å; K317-D386 IonicContact NZ-OD1 3.61Å; K317-D386 PolarHBondContact NZ-OD1 3.4Å; T365-D386 PolarHBondContact OG1-OD2 3.32Å; D384-D386 VanDerWaalsContact C-N 3.31Å; D384-D386 WeakPolarHBondContact OD1-CA 3.27Å; D384-D386 WeakPolarHBondContact OD1-CB 3.44Å; D384-D386 PolarHBondContact OD1-N 2.71Å
387T93Very high84.5Confident97 Ų9758 Ų5860%0.59530%0.304SS*.THydrogen-bonded Turntrans-102.3-13.4172.155.90000113.6D384 E389D384-T387 VanDerWaalsContact CB-OG1 3.31Å; D384-T387 WeakPolarHBondContact CB-OG1 3.39Å; D384-T387 PolarHBondContact OD1-N 2.66Å; D384-T387 PolarHBondContact OD1-OG1 2.66Å; D384-T387 VanDerWaalsContact OD1-OG1 3.08Å; T387-E389 PolarHBondContact O-N 3.17Å
388G90.5Very high83.7Confident9 Ų964.9 Ų64.99%0.09333%0.334CS..THydrogen-bonded Turntrans72.413.4-175.200000113.7K294 D384K294-G388 WeakPolarHBondContact CD-O 3.5Å; K294-G388 WeakPolarHBondContact CE-O 3.18Å; K294-G388 PolarHBondContact NZ-O 3.41Å; D384-G388 CarbonylContact O-C 3.5Å; D384-G388 WeakPolarHBondContact O-CA 3.22Å; D384-G388 PolarHBondContact O-N 3.2Å
389E90.7Very high83.6Confident101 Ų10158.6 Ų58.647%0.47231%0.307SS..EExtended strand (participates in β ladder)trans-92.4153.6-174.8-81.9-51.9135.400114.8K294 A383 D384 T387K294-E389 VanDerWaalsContact NZ-CD 3.29Å; K294-E389 IonicContact NZ-OE1 3.17Å; K294-E389 PolarHBondContact NZ-OE1 3.47Å; K294-E389 IonicContact NZ-OE2 2.74Å; K294-E389 PolarHBondContact NZ-OE2 2.91Å; A383-E389 WeakPolarHBondContact CA-O 3.3Å; D384-E389 PolarHBondContact N-O 3.37Å; D384-E389 PolarHBondContact O-N 3.33Å; T387-E389 PolarHBondContact O-N 3.17Å
390L89.5Confident83.3Confident6 Ų656.5 Ų56.53%0.03130%0.297CS..EExtended strand (participates in β ladder)trans-126.4114.7178-179.865000109.4M290 R297 L298 W381 A383 Y392M290-L390 HydrophobicContact CE-CB 4.3Å; R297-L390 HydrophobicContact CB-CD2 3.81Å; R297-L390 HydrophobicContact CG-CD2 3.84Å; L298-L390 HydrophobicContact CD2-CD1 3.73Å; L298-L390 HydrophobicContact CG-CD1 4.21Å; W381-L390 HydrophobicContact CE3-CD1 4.29Å; W381-L390 HydrophobicContact CE3-CD2 4.47Å; W381-L390 HydrophobicContact CE3-CG 4.39Å; W381-L390 HydrophobicContact CZ3-CD2 4.46Å; A383-L390 HydrophobicContact CB-CD1 3.9Å; L390-Y392 WeakPolarHBondContact O-CD2 3.12Å; L390-Y392 WeakPolarHBondContact O-CE2 3.27Å
391S86.9Confident82.8Confident59 Ų5964 Ų6441%0.41333%0.331SS..EExtended strand (participates in β ladder)trans-96.5143.3179.765.50000112.2L382L382-S391 WeakPolarHBondContact CB-OG 3.14Å; L382-S391 PolarHBondContact O-N 3.31Å; L382-S391 PolarHBondContact O-OG 2.98Å
392Y79.4Confident82.2Confident146 Ų14664.8 Ų64.857%0.57334%0.336SS*.PPolyproline II helixtrans-103.5132.7-167.5-62.6-99.3000111.2W381 L390W381-Y392 HydrophobicContact CE3-CD1 4.42Å; W381-Y392 AromaticContact CH2-CD1 3.54Å; W381-Y392 HydrophobicContact CH2-CD1 3.54Å; W381-Y392 HydrophobicContact CH2-CE1 4Å; W381-Y392 AromaticContact CZ3-CD1 3.33Å; W381-Y392 HydrophobicContact CZ3-CD1 3.33Å; W381-Y392 AromaticContact CZ3-CE1 3.62Å; W381-Y392 HydrophobicContact CZ3-CE1 3.62Å; W381-Y392 HydrophobicContact CZ3-CG 4.11Å; L390-Y392 WeakPolarHBondContact O-CD2 3.12Å; L390-Y392 WeakPolarHBondContact O-CE2 3.27Å
393P76.9Confident81.6Confident19 Ų1963.9 Ų63.912%0.12333%0.332CS..PPolyproline II helixtrans-71.1132.5177.627.3-33.5000112.2K378 W381 V395 V396K378-P393 WeakPolarHBondContact O-CA 3.38Å; K378-P393 WeakPolarHBondContact O-CB 3.13Å; W381-P393 HydrophobicContact CD2-CG 4.07Å; W381-P393 VanDerWaalsContact CE2-CD 3.49Å; W381-P393 HydrophobicContact CG-CG 4.24Å; W381-P393 HydrophobicContact CZ2-CG 3.98Å; P393-V395 PolarHBondContact O-N 3.25Å; P393-V396 HydrophobicContact CB-CB 4.46Å; P393-V396 HydrophobicContact CB-CG2 3.9Å; P393-V396 HydrophobicContact CG-CB 4.06Å; P393-V396 HydrophobicContact CG-CG2 3.88Å
394M64.1Low80.8Confident165 Ų16569.7 Ų69.781%0.81336%0.359SS*.THydrogen-bonded Turntrans-74.1-4.8-175.1-61.6-174.97800115.4K378K378-M394 PolarHBondContact O-N 3.12Å
395V63.6Low80.3Confident102 Ų10271 Ų7162%0.61837%0.366SS*.THydrogen-bonded Turntrans-130.74.3-163.3-173.10000112.8K378 P393K378-V395 HydrophobicContact CB-CB 4.3Å; K378-V395 HydrophobicContact CB-CG2 3.63Å; K378-V395 HydrophobicContact CD-CG2 3.89Å; K378-V395 HydrophobicContact CG-CG2 4.45Å; P393-V395 PolarHBondContact O-N 3.25Å
396V62.7Low79.9Confident42 Ų4271 Ų7126%0.25537%0.366SS..SBendtrans-109.2143.9-177.1-172.70000109.6D379 P393 E398D379-V396 HydrophobicContact CB-CG2 3.91Å; P393-V396 HydrophobicContact CB-CB 4.46Å; P393-V396 HydrophobicContact CB-CG2 3.9Å; P393-V396 HydrophobicContact CG-CB 4.06Å; P393-V396 HydrophobicContact CG-CG2 3.88Å; V396-E398 PolarHBondContact O-N 3.33Å
397D63.2Low79.6Confident108 Ų10868.8 Ų68.858%0.57836%0.355SS*.PPolyproline II helixtrans-47.7135.5168-49.9-37.6000109.5I399 R1211D397-I399 PolarHBondContact O-N 2.84Å; D397-R1211 IonicContact OD2-CZ 2.83Å; D397-R1211 IonicContact OD2-NH2 2.76Å; D397-R1211 PolarHBondContact OD2-NH2 2.93Å
398E69.5Low79.2Confident173 Ų17368 Ų6881%0.80835%0.347SS*.PPolyproline II helixtrans-57.2132.4177.3-70.7-161.9159.300110.5V396 P400V396-E398 PolarHBondContact O-N 3.33Å; E398-P400 WeakPolarHBondContact O-CD 3.26Å; E398-P400 VanDerWaalsContact O-N 3.15Å
399I81.2Confident79Confident7 Ų769.6 Ų69.64%0.03635%0.353CS..PPolyproline II helixtrans-60.5122.8176-73.2177.6000107.6R297 M300 C301 L304 Q306 W381 D397R297-I399 PolarHBondContact NH1-O 3.46Å; R297-I399 PolarHBondContact NH2-O 3.46Å; M300-I399 HydrophobicContact CB-CG2 3.97Å; M300-I399 HydrophobicContact CE-CG2 4.12Å; M300-I399 HydrophobicContact SD-CG2 4.38Å; C301-I399 HydrophobicContact CB-CD1 4.17Å; C301-I399 WeakPolarHBondContact SG-CD1 3.44Å; L304-I399 HydrophobicContact CD1-CG2 3.9Å; Q306-I399 HydrophobicContact CG-CD1 4.23Å; W381-I399 HydrophobicContact CD2-CD1 4.37Å; W381-I399 HydrophobicContact CH2-CD1 3.92Å; W381-I399 HydrophobicContact CH2-CG1 4.3Å; W381-I399 HydrophobicContact CZ2-CB 4.43Å; W381-I399 HydrophobicContact CZ2-CD1 3.32Å; W381-I399 HydrophobicContact CZ2-CG1 3.66Å; D397-I399 PolarHBondContact O-N 2.84Å
400P84.7Confident78.9Confident13 Ų1364.8 Ų64.88%0.08433%0.33CS..PPolyproline II helixtrans-60.9157.3-178.826.1-36.4000110.8R297 M300 L304 E398 L517 F518 M521R297-P400 PolarHBondContact NH1-O 3.26Å; M300-P400 WeakPolarHBondContact CE-O 3.5Å; L304-P400 HydrophobicContact CD1-CG 4.01Å; E398-P400 WeakPolarHBondContact O-CD 3.26Å; E398-P400 VanDerWaalsContact O-N 3.15Å; P400-L517 HydrophobicContact CB-CB 3.9Å; P400-L517 HydrophobicContact CB-CD2 4.02Å; P400-L517 HydrophobicContact CB-CG 3.85Å; P400-L517 HydrophobicContact CG-CG 4.21Å; P400-F518 HydrophobicContact CB-CB 4.2Å; P400-F518 HydrophobicContact CG-CB 3.93Å; P400-F518 HydrophobicContact CG-CD2 4.37Å; P400-M521 HydrophobicContact CG-CE 4.49Å; P400-M521 HydrophobicContact CG-SD 3.81Å
401E80.1Confident78.9Confident165 Ų16565.7 Ų65.777%0.77134%0.335SS*.PPolyproline II helixtrans-73.9154.9174.2-60.5-164.5136.800112.4F518E401-F518 WeakPolarHBondContact O-CB 3.21Å
402L80.2Confident78.8Confident23 Ų2365.5 Ų65.512%0.1233%0.334CS..PPolyproline II helixtrans-65.2153170.1-66.9168.1000109.9F296 M300 E404 F476 F518F296-L402 HydrophobicContact CD1-CD1 4.41Å; M300-L402 HydrophobicContact CE-CB 4.43Å; M300-L402 HydrophobicContact CE-CD2 3.59Å; M300-L402 HydrophobicContact CE-CG 3.58Å; M300-L402 HydrophobicContact CG-CD2 4Å; M300-L402 HydrophobicContact CG-CG 4.27Å; M300-L402 HydrophobicContact SD-CD1 4.14Å; M300-L402 HydrophobicContact SD-CD2 3.94Å; M300-L402 HydrophobicContact SD-CG 3.62Å; L402-E404 PolarHBondContact O-N 2.95Å; L402-F476 HydrophobicContact CD2-CZ 3.9Å; L402-F518 HydrophobicContact CD2-CD1 4.2Å; L402-F518 HydrophobicContact CD2-CD2 4.47Å; L402-F518 HydrophobicContact CD2-CE1 3.89Å; L402-F518 HydrophobicContact CD2-CE2 4.19Å; L402-F518 HydrophobicContact CD2-CG 4.48Å; L402-F518 HydrophobicContact CD2-CZ 3.88Å
403P80.7Confident79.2Confident14 Ų1459.3 Ų59.39%0.09131%0.31CS..  trans-51.3112.9166.3-27.336.4000111.3I405 E406 S407 I482P403-I405 VanDerWaalsContact C-N 3.26Å; P403-I405 PolarHBondContact O-N 3.49Å; P403-I405 VanDerWaalsContact O-N 3.12Å; P403-E406 HydrophobicContact CB-CB 4.35Å; P403-E406 VanDerWaalsContact CB-OE2 3.23Å; P403-E406 WeakPolarHBondContact CB-OE2 3.07Å; P403-E406 PolarHBondContact O-N 2.86Å; P403-S407 WeakPolarHBondContact O-CB 3.33Å; P403-S407 PolarHBondContact O-N 3.41Å; P403-I482 HydrophobicContact CG-CD1 3.63Å
404E78.7Confident79.7Confident122 Ų12258.4 Ų58.457%0.5730%0.304SS*.Hα-helixtrans-45.7-44.6-172.4-177.3-169-177.500114L402 N408L402-E404 PolarHBondContact O-N 2.95Å; E404-N408 VanDerWaalsContact O-CB 3.24Å; E404-N408 WeakPolarHBondContact O-CB 3.18Å; E404-N408 PolarHBondContact O-N 2.95Å; E404-N408 PolarHBondContact O-ND2 3.45Å
405I83.7Confident80.8Confident54 Ų5455.7 Ų55.728%0.27729%0.285SS..Hα-helixtrans-70.8-54.4-175.9-63.9152.5000110.3P403 S407 N408 I409 A443P403-I405 VanDerWaalsContact C-N 3.26Å; P403-I405 PolarHBondContact O-N 3.49Å; P403-I405 VanDerWaalsContact O-N 3.12Å; I405-S407 VanDerWaalsContact C-N 3.32Å; I405-S407 PolarHBondContact O-N 3.46Å; I405-N408 PolarHBondContact O-N 3.17Å; I405-I409 HydrophobicContact CG2-CD1 4.12Å; I405-I409 VanDerWaalsContact O-CG1 3.31Å; I405-I409 WeakPolarHBondContact O-CG1 3.39Å; I405-I409 PolarHBondContact O-N 3.36Å; I405-I409 VanDerWaalsContact O-N 3.12Å; I405-A443 HydrophobicContact CD1-CB 3.81Å
406E86.2Confident81.7Confident4 Ų454.4 Ų54.42%0.01927%0.271CS..Hα-helixtrans-63.7-38.1-179.9-67.475-172.500111.7P403 L410 F476 T479 N481P403-E406 HydrophobicContact CB-CB 4.35Å; P403-E406 VanDerWaalsContact CB-OE2 3.23Å; P403-E406 WeakPolarHBondContact CB-OE2 3.07Å; P403-E406 PolarHBondContact O-N 2.86Å; E406-L410 WeakPolarHBondContact O-CB 3.43Å; E406-L410 PolarHBondContact O-N 2.87Å; E406-F476 HydrophobicContact CB-CD2 4.13Å; E406-F476 HydrophobicContact CB-CE2 4.03Å; E406-T479 HydrophobicContact CG-CG2 3.91Å; E406-N481 PolarHBondContact OE1-ND2 3.3Å
407S85.3Confident82.8Confident16 Ų1652.4 Ų52.411%0.11226%0.259CS..Hα-helixtrans-61.8-50.8174-172.80000111.9P403 I405 I409 L410 I411P403-S407 WeakPolarHBondContact O-CB 3.33Å; P403-S407 PolarHBondContact O-N 3.41Å; I405-S407 VanDerWaalsContact C-N 3.32Å; I405-S407 PolarHBondContact O-N 3.46Å; S407-I409 VanDerWaalsContact C-N 3.31Å; S407-I409 PolarHBondContact O-N 3.44Å; S407-L410 PolarHBondContact O-N 3.35Å; S407-I411 WeakPolarHBondContact O-CB 3.17Å; S407-I411 VanDerWaalsContact O-CG1 3.29Å; S407-I411 WeakPolarHBondContact O-CG1 3.47Å; S407-I411 PolarHBondContact O-N 3.28Å
408N85.6Confident83.8Confident80 Ų8048 Ų4843%0.42824%0.235SC..Hα-helixtrans-64-35-179.3-79-38.1000112.7E404 I405 S412E404-N408 VanDerWaalsContact O-CB 3.24Å; E404-N408 WeakPolarHBondContact O-CB 3.18Å; E404-N408 PolarHBondContact O-N 2.95Å; E404-N408 PolarHBondContact O-ND2 3.45Å; I405-N408 PolarHBondContact O-N 3.17Å; N408-S412 VanDerWaalsContact O-CB 3.3Å; N408-S412 WeakPolarHBondContact O-CB 3.46Å; N408-S412 PolarHBondContact O-N 3.15Å
409I86.4Confident83.9Confident42 Ų4245.3 Ų45.322%0.21522%0.222CC..Hα-helixtrans-67.2-48.1173.7-62.6165.5000110.2I405 S407 I411 S412 H413 A447 L450I405-I409 HydrophobicContact CG2-CD1 4.12Å; I405-I409 VanDerWaalsContact O-CG1 3.31Å; I405-I409 WeakPolarHBondContact O-CG1 3.39Å; I405-I409 PolarHBondContact O-N 3.36Å; I405-I409 VanDerWaalsContact O-N 3.12Å; S407-I409 VanDerWaalsContact C-N 3.31Å; S407-I409 PolarHBondContact O-N 3.44Å; I409-I411 PolarHBondContact O-N 3.39Å; I409-S412 WeakPolarHBondContact O-CB 3.32Å; I409-S412 PolarHBondContact O-N 3.33Å; I409-S412 VanDerWaalsContact O-N 3.16Å; I409-H413 PolarHBondContact O-CD2 3.25Å; I409-H413 PolarHBondContact O-N 3.5Å; I409-A447 HydrophobicContact CD1-CB 3.64Å; I409-L450 HydrophobicContact CB-CD2 4.26Å; I409-L450 HydrophobicContact CG2-CB 3.9Å; I409-L450 HydrophobicContact CG2-CD2 3.63Å; I409-L450 HydrophobicContact CG2-CG 4.4Å
410L89Confident82.9Confident0 Ų050 Ų500%024%0.244CC..Hα-helixtrans-61.4-44.5178.417962.9000112.3F296 E406 S407 S412 H413 L414 M473 F476F296-L410 HydrophobicContact CE1-CD2 3.52Å; F296-L410 HydrophobicContact CE1-CG 4.29Å; F296-L410 HydrophobicContact CZ-CD2 3.42Å; F296-L410 VanDerWaalsContact CZ-CD2 3.42Å; F296-L410 HydrophobicContact CZ-CG 3.67Å; E406-L410 WeakPolarHBondContact O-CB 3.43Å; E406-L410 PolarHBondContact O-N 2.87Å; S407-L410 PolarHBondContact O-N 3.35Å; L410-S412 VanDerWaalsContact C-N 3.3Å; L410-S412 PolarHBondContact O-N 3.3Å; L410-H413 WeakPolarHBondContact O-CB 3.49Å; L410-H413 PolarHBondContact O-N 3.25Å; L410-H413 VanDerWaalsContact O-N 3.15Å; L410-L414 HydrophobicContact CD1-CG 4.49Å; L410-L414 PolarHBondContact O-N 3.46Å; L410-M473 HydrophobicContact CD1-SD 4.4Å; L410-M473 HydrophobicContact CD2-SD 4.02Å; L410-F476 HydrophobicContact CB-CD2 4.43Å; L410-F476 HydrophobicContact CD1-CB 4.31Å; L410-F476 HydrophobicContact CD2-CB 3.91Å; L410-F476 HydrophobicContact CD2-CD1 4.24Å; L410-F476 HydrophobicContact CD2-CD2 3.84Å; L410-F476 HydrophobicContact CD2-CE2 4.46Å; L410-F476 HydrophobicContact CD2-CG 3.72Å
411I88Confident81.5Confident25 Ų2552.6 Ų52.613%0.12825%0.254CS..Hα-helixtrans-62.2-38.2174.9-69.7166.1000110.8I292 F296 S407 I409 R415I292-I411 HydrophobicContact CG2-CG1 4.36Å; I292-I411 HydrophobicContact CG2-CG2 4.42Å; F296-I411 HydrophobicContact CD2-CG1 4.01Å; F296-I411 HydrophobicContact CE2-CG1 3.73Å; S407-I411 WeakPolarHBondContact O-CB 3.17Å; S407-I411 VanDerWaalsContact O-CG1 3.29Å; S407-I411 WeakPolarHBondContact O-CG1 3.47Å; S407-I411 PolarHBondContact O-N 3.28Å; I409-I411 PolarHBondContact O-N 3.39Å; I411-R415 HydrophobicContact CG2-CG 4.43Å; I411-R415 VanDerWaalsContact O-CB 3.29Å; I411-R415 WeakPolarHBondContact O-CB 3.19Å; I411-R415 VanDerWaalsContact O-CG 3.25Å; I411-R415 WeakPolarHBondContact O-CG 3.26Å; I411-R415 PolarHBondContact O-N 3.06Å
412S85.6Confident80.5Confident56 Ų5646.8 Ų46.839%0.39223%0.232SC..Hα-helixtrans-64-40.5173.2-1760000112.1N408 I409 L410 R415 K416N408-S412 VanDerWaalsContact O-CB 3.3Å; N408-S412 WeakPolarHBondContact O-CB 3.46Å; N408-S412 PolarHBondContact O-N 3.15Å; I409-S412 WeakPolarHBondContact O-CB 3.32Å; I409-S412 PolarHBondContact O-N 3.33Å; I409-S412 VanDerWaalsContact O-N 3.16Å; L410-S412 VanDerWaalsContact C-N 3.3Å; L410-S412 PolarHBondContact O-N 3.3Å; S412-R415 PolarHBondContact O-N 3.41Å; S412-K416 PolarHBondContact O-N 3.01Å
413H87Confident79.1Confident16 Ų1653.7 Ų53.77%0.07427%0.269CS..Hα-helixtrans-65.3-46.6178-74-149.1000111.8I409 L410 K416 L417 L450 F453 P455I409-H413 PolarHBondContact O-CD2 3.25Å; I409-H413 PolarHBondContact O-N 3.5Å; L410-H413 WeakPolarHBondContact O-CB 3.49Å; L410-H413 PolarHBondContact O-N 3.25Å; L410-H413 VanDerWaalsContact O-N 3.15Å; H413-K416 PolarHBondContact O-N 2.92Å; H413-L417 WeakPolarHBondContact O-CG 3.39Å; H413-L417 PolarHBondContact O-N 3.4Å; H413-L417 VanDerWaalsContact O-N 3.1Å; H413-L450 PolarHBondContact CE1-O 3.47Å; H413-F453 AromaticContact ND1-CD1 3.78Å; H413-P455 HydrophobicContact CB-CG 3.65Å; H413-P455 VanDerWaalsContact CG-CG 3.44Å
414L88.1Confident77.2Confident0 Ų055.4 Ų55.40%028%0.281CS..Hα-helixtrans-66.1-38.1175.9-63.4-169.6000112.4F287 F296 L410 K416 L417 L418 I469F287-L414 HydrophobicContact CD1-CD1 4.16Å; F287-L414 HydrophobicContact CE1-CD1 3.48Å; F287-L414 VanDerWaalsContact CE1-CD1 3.48Å; F287-L414 HydrophobicContact CZ-CD1 3.7Å; F296-L414 HydrophobicContact CE2-CD1 3.66Å; F296-L414 HydrophobicContact CZ-CD1 3.43Å; F296-L414 VanDerWaalsContact CZ-CD1 3.43Å; F296-L414 HydrophobicContact CZ-CG 4.48Å; L410-L414 HydrophobicContact CD1-CG 4.49Å; L410-L414 PolarHBondContact O-N 3.46Å; L414-K416 PolarHBondContact O-N 2.69Å; L414-L417 HydrophobicContact CD2-CD1 4.22Å; L414-L417 PolarHBondContact O-N 3.06Å; L414-L418 WeakPolarHBondContact O-CB 3.15Å; L414-L418 VanDerWaalsContact O-CG 3.28Å; L414-L418 WeakPolarHBondContact O-CG 3.4Å; L414-L418 PolarHBondContact O-N 3.15Å; L414-I469 HydrophobicContact CD2-CB 4.18Å; L414-I469 HydrophobicContact CD2-CG1 3.89Å; L414-I469 HydrophobicContact CD2-CG2 3.96Å
415R86.3Confident75.3Confident108 Ų10854.9 Ų54.941%0.40829%0.288SS..Hα-helixtrans-59-45173.8-81.4173.8169164.7-7.8111.9I292 I411 S412 H419I292-R415 HydrophobicContact CD1-CG 3.65Å; I411-R415 HydrophobicContact CG2-CG 4.43Å; I411-R415 VanDerWaalsContact O-CB 3.29Å; I411-R415 WeakPolarHBondContact O-CB 3.19Å; I411-R415 VanDerWaalsContact O-CG 3.25Å; I411-R415 WeakPolarHBondContact O-CG 3.26Å; I411-R415 PolarHBondContact O-N 3.06Å; S412-R415 PolarHBondContact O-N 3.41Å; R415-H419 WeakPolarHBondContact O-CB 3.21Å; R415-H419 PolarHBondContact O-N 2.94Å
416K84.1Confident73.2Confident75 Ų7559.9 Ų59.933%0.32631%0.31SS..Hα-helixtrans-56.9-55.1173.3-76.1176.6163.3-165.20111.5S412 H413 L414 L418 H419 E420 D454 P455 L456S412-K416 PolarHBondContact O-N 3.01Å; H413-K416 PolarHBondContact O-N 2.92Å; L414-K416 PolarHBondContact O-N 2.69Å; K416-L418 VanDerWaalsContact C-N 3.3Å; K416-L418 PolarHBondContact O-N 3.42Å; K416-H419 PolarHBondContact O-N 3.19Å; K416-E420 PolarHBondContact O-N 3.47Å; K416-E420 VanDerWaalsContact O-N 3.15Å; K416-D454 IonicContact NZ-OD1 3.54Å; K416-D454 PolarHBondContact NZ-OD1 3.35Å; K416-D454 VanDerWaalsContact NZ-OD1 3.08Å; K416-P455 HydrophobicContact CB-CB 4.42Å; K416-P455 HydrophobicContact CD-CB 4.39Å; K416-P455 HydrophobicContact CD-CG 4.09Å; K416-L456 HydrophobicContact CB-CD2 3.94Å; K416-L456 HydrophobicContact CD-CD2 3.86Å; K416-L456 HydrophobicContact CD-CG 4.19Å; K416-L456 HydrophobicContact CG-CD2 4.03Å
417L85.5Confident71.2Confident0 Ų062.7 Ų62.70%032%0.324CS..Hα-helixtrans-57.9-39.1-176.4-74.6164.5000113.3H413 L414 P455 T459 V465 I469H413-L417 WeakPolarHBondContact O-CG 3.39Å; H413-L417 PolarHBondContact O-N 3.4Å; H413-L417 VanDerWaalsContact O-N 3.1Å; L414-L417 HydrophobicContact CD2-CD1 4.22Å; L414-L417 PolarHBondContact O-N 3.06Å; L417-P455 HydrophobicContact CD1-CB 4.06Å; L417-P455 HydrophobicContact CD2-CB 3.93Å; L417-P455 VanDerWaalsContact CD2-O 3.31Å; L417-P455 WeakPolarHBondContact CD2-O 3.44Å; L417-P455 HydrophobicContact CG-CB 3.68Å; L417-T459 HydrophobicContact CD2-CG2 4.37Å; L417-V465 HydrophobicContact CB-CG1 4.31Å; L417-I469 HydrophobicContact CD1-CG1 4.09Å
418L84Confident69Low14 Ų1469.1 Ų69.17%0.07336%0.358CS..Hα-helixtrans-86.6-35.1-177.3-63.5169.9000112.8N284 F287 I292 L414 K416 S422 I469N284-L418 HydrophobicContact CB-CD2 4.02Å; F287-L418 HydrophobicContact CB-CD1 3.85Å; F287-L418 HydrophobicContact CG-CD1 4.32Å; I292-L418 HydrophobicContact CD1-CD1 4.01Å; I292-L418 HydrophobicContact CG1-CD1 4.08Å; L414-L418 WeakPolarHBondContact O-CB 3.15Å; L414-L418 VanDerWaalsContact O-CG 3.28Å; L414-L418 WeakPolarHBondContact O-CG 3.4Å; L414-L418 PolarHBondContact O-N 3.15Å; K416-L418 VanDerWaalsContact C-N 3.3Å; K416-L418 PolarHBondContact O-N 3.42Å; L418-S422 WeakPolarHBondContact O-CB 3.35Å; L418-S422 PolarHBondContact O-N 3.38Å; L418-I469 HydrophobicContact CD2-CD1 4.25Å
419H71.9Confident66.8Low118 Ų11869.2 Ų69.255%0.54636%0.358SS..Hα-helixtrans-80.3-33.1-175.4-170.7-41.5000113.3R415 K416 F421R415-H419 WeakPolarHBondContact O-CB 3.21Å; R415-H419 PolarHBondContact O-N 2.94Å; K416-H419 PolarHBondContact O-N 3.19Å; H419-F421 VanDerWaalsContact C-N 3.29Å
420E59.9Low64.5Low104 Ų10472 Ų7249%0.48637%0.373SS..THydrogen-bonded Turntrans-71.5-27.5171.7-74.5-167.4164.300112.2K416 L456 T459K416-E420 PolarHBondContact O-N 3.47Å; K416-E420 VanDerWaalsContact O-N 3.15Å; E420-L456 WeakPolarHBondContact OE1-CD2 3.37Å; E420-T459 HydrophobicContact CB-CG2 3.9Å; E420-T459 WeakPolarHBondContact OE2-CB 3.43Å; E420-T459 WeakPolarHBondContact OE2-CG2 3.42Å; E420-T459 PolarHBondContact OE2-OG1 2.83Å
421F56.1Low61.9Low69 Ų6979.1 Ų79.130%0.30341%0.41SS..THydrogen-bonded Turntrans-82-47.1179.5-170.9-86.9000112.6H419 N423 K462 V465H419-F421 VanDerWaalsContact C-N 3.29Å; F421-N423 PolarHBondContact O-N 2.96Å; F421-K462 HydrophobicContact CD1-CG 4.32Å; F421-K462 HydrophobicContact CD2-CG 4.39Å; F421-K462 HydrophobicContact CE1-CD 4.14Å; F421-K462 HydrophobicContact CE1-CG 3.55Å; F421-K462 HydrophobicContact CE2-CB 4.48Å; F421-K462 HydrophobicContact CE2-CG 3.61Å; F421-K462 HydrophobicContact CZ-CB 4.41Å; F421-K462 HydrophobicContact CZ-CD 4.03Å; F421-K462 HydrophobicContact CZ-CG 3.16Å; F421-V465 HydrophobicContact CB-CG2 4.27Å; F421-V465 HydrophobicContact CD2-CG2 4.3Å; F421-V465 HydrophobicContact CG-CG2 4.41Å
422S59.3Low59.3Low42 Ų4286.6 Ų86.629%0.29445%0.445SS..  trans-84.196.4-179.6-71.20000111.6L418 S424L418-S422 WeakPolarHBondContact O-CB 3.35Å; L418-S422 PolarHBondContact O-N 3.38Å; S422-S424 PolarHBondContact O-N 3.27Å
423N49.9Very low56.7Low168 Ų16889.3 Ų89.390%0.89846%0.455SS*.  trans-67.938.3167.5-74-57.8000113.3F421F421-N423 PolarHBondContact O-N 2.96Å
424S41.1Very low54.1Low50 Ų5093.4 Ų93.435%0.3549%0.485SS..  trans-121.6127.6-178.1-179.20000110.4S422 H426S422-S424 PolarHBondContact O-N 3.27Å; S424-H426 PolarHBondContact O-N 2.93Å; S424-H426 VanDerWaalsContact O-N 3.07Å
425P37.8Very low51.3Low111 Ų11198.9 Ų98.972%0.72152%0.523SS*.THydrogen-bonded Turntrans-76.811.4-175.233.5-37.4000114.4
426H40.3Very low48.7Very low160 Ų160100.8 Ų100.874%0.74154%0.535SS*.THydrogen-bonded Turntrans-113.622.8-171.7-79-59.9000115.3S424 D428S424-H426 PolarHBondContact O-N 2.93Å; S424-H426 VanDerWaalsContact O-N 3.07Å; H426-D428 PolarHBondContact O-N 3.35Å; H426-D428 VanDerWaalsContact O-N 3.15Å
427I44.4Very low46.1Very low62 Ų62105.8 Ų105.832%0.31856%0.559SS.*SBendtrans-70.8104.5154.6-60.3178.7000106.3L429I427-L429 PolarHBondContact O-N 2.96Å; I427-L429 VanDerWaalsContact O-N 3.1Å
428D39Very low43.7Very low152 Ų152114 Ų11481%0.81359%0.59SS**  trans-65.4113.8-176-156.50.1000110.5H426 D430H426-D428 PolarHBondContact O-N 3.35Å; H426-D428 VanDerWaalsContact O-N 3.15Å; D428-D430 PolarHBondContact O-N 2.97Å
429L38.2Very low41.2Very low82 Ų82118.7 Ų118.743%0.42962%0.624SS.*  trans-97.990.1-174.3-75.4174.9000108.9I427 L431I427-L429 PolarHBondContact O-N 2.96Å; I427-L429 VanDerWaalsContact O-N 3.1Å; L429-L431 HydrophobicContact CB-CD1 4.46Å; L429-L431 WeakPolarHBondContact O-CB 3.24Å; L429-L431 PolarHBondContact O-N 3.4Å
430D39.9Very low39.5Very low99 Ų99116 Ų11653%0.52962%0.616SS.*  trans-51.798.7162.3-83.9-29.3000109.9R293 D428R293-D430 IonicContact CZ-OD2 2.69Å; R293-D430 VanDerWaalsContact NH1-CG 3.26Å; R293-D430 IonicContact NH1-OD2 3.22Å; R293-D430 PolarHBondContact NH1-OD2 3.16Å; D428-D430 PolarHBondContact O-N 2.97Å
431L33Very low38.9Very low150 Ų150116.3 Ų116.379%0.78563%0.629SS**  trans-115.859.4-168.7-129.8163.1000111.8L429L429-L431 HydrophobicContact CB-CD1 4.46Å; L429-L431 WeakPolarHBondContact O-CB 3.24Å; L429-L431 PolarHBondContact O-N 3.4Å
432E33.1Very low38.3Very low182 Ų182118.7 Ų118.785%0.8565%0.649SS**  trans-124.3132159.8-71.2-145.6150.700113.6
433D32.5Very low37.3Very low114 Ų114118 Ų11861%0.6165%0.646SS**SBendtrans37.1107.1159.7-128.529.8000121.8K436D433-K436 IonicContact OD1-NZ 3.16Å; D433-K436 PolarHBondContact OD1-NZ 3.47Å; D433-K436 IonicContact OD2-NZ 2.91Å; D433-K436 PolarHBondContact OD2-NZ 3.05Å
434S32.7Very low36.9Very low101 Ų101117.8 Ų117.871%0.70663%0.633SS**  trans-16316.8142.151.70000114.9K436S434-K436 PolarHBondContact O-N 3.09Å
435S28Very low36.9Very low115 Ų115118.3 Ų118.380%0.80464%0.64SS**  trans-81.347.1-176.851.70000114.6
436K32.3Very low37.2Very low148 Ų148114 Ų11464%0.64361%0.611SS**SBendtrans-118.383.7-173.8-75.8162.6177.9140.50113.9D433 S434D433-K436 IonicContact OD1-NZ 3.16Å; D433-K436 PolarHBondContact OD1-NZ 3.47Å; D433-K436 IonicContact OD2-NZ 2.91Å; D433-K436 PolarHBondContact OD2-NZ 3.05Å; S434-K436 PolarHBondContact O-N 3.09Å
437H29.7Very low37.7Very low181 Ų181106.7 Ų106.784%0.83858%0.579SS**  trans4872.9151.2-162.2-64.6000118
438W34Very low37.9Very low172 Ų172107.6 Ų107.665%0.65258%0.584SS**  trans-74.4143.6172.156-74.8000112.9V440W438-V440 HydrophobicContact CD2-CG2 3.99Å; W438-V440 HydrophobicContact CE3-CB 4.35Å; W438-V440 HydrophobicContact CE3-CG1 4.28Å; W438-V440 HydrophobicContact CE3-CG2 3.7Å; W438-V440 HydrophobicContact CH2-CG1 3.9Å; W438-V440 HydrophobicContact CH2-CG2 4.15Å; W438-V440 HydrophobicContact CZ2-CG2 4.41Å; W438-V440 HydrophobicContact CZ3-CB 4.16Å; W438-V440 HydrophobicContact CZ3-CG1 3.6Å; W438-V440 HydrophobicContact CZ3-CG2 3.8Å; W438-V440 WeakPolarHBondContact O-CG2 3.42Å
439S31.5Very low38.6Very low113 Ų113103.6 Ų103.679%0.7956%0.56SS**  trans-92119.7-177.849.90000112.6S441S439-S441 PolarHBondContact O-N 2.81Å
440V37.9Very low39.5Very low61 Ų6199.7 Ų99.737%0.3754%0.54SS..  trans-101.169.2-153.7-1660000113.9W438 R444W438-V440 HydrophobicContact CD2-CG2 3.99Å; W438-V440 HydrophobicContact CE3-CB 4.35Å; W438-V440 HydrophobicContact CE3-CG1 4.28Å; W438-V440 HydrophobicContact CE3-CG2 3.7Å; W438-V440 HydrophobicContact CH2-CG1 3.9Å; W438-V440 HydrophobicContact CH2-CG2 4.15Å; W438-V440 HydrophobicContact CZ2-CG2 4.41Å; W438-V440 HydrophobicContact CZ3-CB 4.16Å; W438-V440 HydrophobicContact CZ3-CG1 3.6Å; W438-V440 HydrophobicContact CZ3-CG2 3.8Å; W438-V440 WeakPolarHBondContact O-CG2 3.42Å; V440-R444 HydrophobicContact CG1-CB 4.44Å; V440-R444 HydrophobicContact CG1-CG 4.31Å
441S46.6Very low40.3Very low110 Ų11098.9 Ų98.977%0.76954%0.542SS*.SBendtrans-133.7-39.3175.7-710000117.4S439S439-S441 PolarHBondContact O-N 2.81Å
442V42.2Very low41.8Very low120 Ų12097.8 Ų97.873%0.72753%0.531SS*.SBendtrans-99.5-50.4-173.4-175.30000112.2R444 A445V442-R444 PolarHBondContact O-N 3.5Å; V442-R444 VanDerWaalsContact O-N 3.16Å; V442-A445 PolarHBondContact O-N 3.04Å
443A39.8Very low43.8Very low27 Ų2789.5 Ų89.522%0.22349%0.492CS..Hα-helixtrans-60.8-25.1179.200000114.1I405 A445 T446 A447I405-A443 HydrophobicContact CD1-CB 3.81Å; A443-A445 PolarHBondContact O-N 3.02Å; A443-T446 PolarHBondContact O-N 2.99Å; A443-T446 PolarHBondContact O-OG1 3.31Å; A443-A447 PolarHBondContact O-N 3.17Å
444R41Very low45.8Very low164 Ų16487.2 Ų87.262%0.61948%0.48SS*.Hα-helixtrans-67.1-19.4-177.4-145.3-173.8-158.2153.23.8113.4V440 V442 L448V440-R444 HydrophobicContact CG1-CB 4.44Å; V440-R444 HydrophobicContact CG1-CG 4.31Å; V442-R444 PolarHBondContact O-N 3.5Å; V442-R444 VanDerWaalsContact O-N 3.16Å; R444-L448 WeakPolarHBondContact O-CG 3.46Å
445A41.3Very low47.9Very low61 Ų6182.4 Ų82.450%0.50445%0.446SS..Hα-helixtrans-84.5-26.6176.100000113.2V442 A443V442-A445 PolarHBondContact O-N 3.04Å; A443-A445 PolarHBondContact O-N 3.02Å
446T43.6Very low50.2Low19 Ų1980 Ų8012%0.11742%0.424CS..Hα-helixtrans-86.7-25.7-175.156.90000113.2A443 N480 P513A443-T446 PolarHBondContact O-N 2.99Å; A443-T446 PolarHBondContact O-OG1 3.31Å; T446-N480 HydrophobicContact CG2-CB 4.43Å; T446-P513 HydrophobicContact CG2-CB 3.84Å; T446-P513 HydrophobicContact CG2-CG 3.65Å
447A50.1Low52.4Low8 Ų879.6 Ų79.67%0.06643%0.428CS..SBendtrans-9410177.100000114.2I409 A443 E449 L450 S451I409-A447 HydrophobicContact CD1-CB 3.64Å; A443-A447 PolarHBondContact O-N 3.17Å; A447-E449 VanDerWaalsContact C-N 3.29Å; A447-E449 PolarHBondContact O-N 3.3Å; A447-L450 PolarHBondContact O-N 3.25Å; A447-S451 PolarHBondContact O-N 3.12Å; A447-S451 VanDerWaalsContact O-N 3.14Å; A447-S451 PolarHBondContact O-OG 3.3Å
448L49.9Very low54.7Low80 Ų8071.2 Ų71.242%0.41939%0.389SS..Hα-helixtrans-54.8-40.8-173.1-82.6173.4000113.3R444 S451 K452R444-L448 WeakPolarHBondContact O-CG 3.46Å; L448-S451 WeakPolarHBondContact CA-OG 3.27Å; L448-S451 PolarHBondContact O-N 3.25Å; L448-S451 PolarHBondContact O-OG 3.17Å; L448-K452 WeakPolarHBondContact O-CG 3.34Å; L448-K452 PolarHBondContact O-N 3.23Å
449E52.9Low56.7Low68 Ų6864.4 Ų64.432%0.31837%0.367SS..Hα-helixtrans-67.8-43.6-176.6-60.9-47.6128.100113.7A447 S451 K452A447-E449 VanDerWaalsContact C-N 3.29Å; A447-E449 PolarHBondContact O-N 3.3Å; E449-S451 VanDerWaalsContact C-N 3.29Å; E449-S451 PolarHBondContact O-N 2.79Å; E449-K452 PolarHBondContact O-N 3.22Å; E449-K452 IonicContact OE1-NZ 3.96Å; E449-K452 PolarHBondContact OE1-NZ 3.45Å; E449-K452 IonicContact OE2-NZ 2.76Å; E449-K452 PolarHBondContact OE2-NZ 2.97Å
450L58.4Low58.8Low1 Ų166.5 Ų66.51%0.00537%0.368CS..Hα-helixtrans-62.2-40.8171.3-82.483.2000110.8I409 H413 A447 K452 F453 L475 T479I409-L450 HydrophobicContact CB-CD2 4.26Å; I409-L450 HydrophobicContact CG2-CB 3.9Å; I409-L450 HydrophobicContact CG2-CD2 3.63Å; I409-L450 HydrophobicContact CG2-CG 4.4Å; H413-L450 PolarHBondContact CE1-O 3.47Å; A447-L450 PolarHBondContact O-N 3.25Å; L450-K452 PolarHBondContact O-N 2.81Å; L450-K452 VanDerWaalsContact O-N 3.1Å; L450-F453 PolarHBondContact O-N 3.19Å; L450-L475 HydrophobicContact CD1-CB 3.95Å; L450-L475 VanDerWaalsContact CD1-O 3.31Å; L450-L475 WeakPolarHBondContact CD1-O 3.16Å; L450-L475 HydrophobicContact CG-CB 3.9Å; L450-T479 HydrophobicContact CD1-CG2 3.24Å
451S56.6Low60.9Low81 Ų8165.9 Ų65.957%0.56637%0.365SS*.Hα-helixtrans-68-10.7-174.9730000115.2A447 L448 E449A447-S451 PolarHBondContact O-N 3.12Å; A447-S451 VanDerWaalsContact O-N 3.14Å; A447-S451 PolarHBondContact O-OG 3.3Å; L448-S451 WeakPolarHBondContact CA-OG 3.27Å; L448-S451 PolarHBondContact O-N 3.25Å; L448-S451 PolarHBondContact O-OG 3.17Å; E449-S451 VanDerWaalsContact C-N 3.29Å; E449-S451 PolarHBondContact O-N 2.79Å
452K64.5Low62.6Low127 Ų12763.7 Ų63.755%0.55234%0.341SS*.THydrogen-bonded Turntrans-86.6-21.5172.1-66.9169.6-165.3169.70113.3L448 E449 L450L448-K452 WeakPolarHBondContact O-CG 3.34Å; L448-K452 PolarHBondContact O-N 3.23Å; E449-K452 PolarHBondContact O-N 3.22Å; E449-K452 IonicContact OE1-NZ 3.96Å; E449-K452 PolarHBondContact OE1-NZ 3.45Å; E449-K452 IonicContact OE2-NZ 2.76Å; E449-K452 PolarHBondContact OE2-NZ 2.97Å; L450-K452 PolarHBondContact O-N 2.81Å; L450-K452 VanDerWaalsContact O-N 3.1Å
453F73.5Confident64.8Low9 Ų958.7 Ų58.74%0.03931%0.31CS..  trans-89.1120.2-178.2174.9-92.2000109H413 L450 P455 Y458 V471 L475 Y551H413-F453 AromaticContact ND1-CD1 3.78Å; L450-F453 PolarHBondContact O-N 3.19Å; F453-P455 HydrophobicContact CD1-CG 4.01Å; F453-P455 HydrophobicContact CE1-CB 3.98Å; F453-P455 HydrophobicContact CE1-CG 3.84Å; F453-P455 WeakPolarHBondContact O-CD 3.45Å; F453-Y458 HydrophobicContact CD2-CE2 4.37Å; F453-Y458 HydrophobicContact CE2-CD2 4.06Å; F453-Y458 AromaticContact CE2-CE2 3.27Å; F453-Y458 HydrophobicContact CE2-CE2 3.27Å; F453-Y458 AromaticContact CE2-CZ 3.75Å; F453-Y458 AromaticContact CZ-CD2 3.76Å; F453-Y458 HydrophobicContact CZ-CD2 3.76Å; F453-Y458 AromaticContact CZ-CE2 3.45Å; F453-Y458 HydrophobicContact CZ-CE2 3.45Å; F453-Y458 VanDerWaalsContact CZ-CE2 3.45Å; F453-V471 HydrophobicContact CD2-CG1 3.67Å; F453-V471 HydrophobicContact CE2-CB 3.88Å; F453-V471 HydrophobicContact CE2-CG1 3.27Å; F453-V471 HydrophobicContact CZ-CB 4.03Å; F453-V471 HydrophobicContact CZ-CG1 3.83Å; F453-L475 HydrophobicContact CB-CD1 3.54Å; F453-L475 HydrophobicContact CD1-CD1 4.29Å; F453-L475 HydrophobicContact CD2-CD1 3.97Å; F453-L475 HydrophobicContact CG-CD1 3.69Å; F453-Y551 HydrophobicContact CB-CE2 4.38Å; F453-Y551 HydrophobicContact CD2-CD1 4.11Å; F453-Y551 HydrophobicContact CD2-CD2 4.1Å; F453-Y551 HydrophobicContact CD2-CE1 4.4Å; F453-Y551 HydrophobicContact CD2-CE2 4.38Å; F453-Y551 AromaticContact CD2-CG 3.96Å; F453-Y551 HydrophobicContact CD2-CG 3.96Å; F453-Y551 HydrophobicContact CE2-CG 4.47Å
454D76.1Confident67.1Low66 Ų6657.8 Ų57.835%0.35330%0.303SS..  trans-97.5113.1170.8-163.73.1000110.4K416 L456 L457K416-D454 IonicContact NZ-OD1 3.54Å; K416-D454 PolarHBondContact NZ-OD1 3.35Å; K416-D454 VanDerWaalsContact NZ-OD1 3.08Å; D454-L456 PolarHBondContact O-N 3.3Å; D454-L456 WeakPolarHBondContact OD1-CG 3.43Å; D454-L456 PolarHBondContact OD1-N 3.26Å; D454-L457 HydrophobicContact CB-CG 4.5Å; D454-L457 PolarHBondContact O-N 3.18Å
455P76.5Confident69.4Low0 Ų050.2 Ų50.20%028%0.275CS..G310 helixtrans-64.1-20.3-179.5-18.430.1000113.8H413 K416 L417 F453 L457 Y458H413-P455 HydrophobicContact CB-CG 3.65Å; H413-P455 VanDerWaalsContact CG-CG 3.44Å; K416-P455 HydrophobicContact CB-CB 4.42Å; K416-P455 HydrophobicContact CD-CB 4.39Å; K416-P455 HydrophobicContact CD-CG 4.09Å; L417-P455 HydrophobicContact CD1-CB 4.06Å; L417-P455 HydrophobicContact CD2-CB 3.93Å; L417-P455 VanDerWaalsContact CD2-O 3.31Å; L417-P455 WeakPolarHBondContact CD2-O 3.44Å; L417-P455 HydrophobicContact CG-CB 3.68Å; F453-P455 HydrophobicContact CD1-CG 4.01Å; F453-P455 HydrophobicContact CE1-CB 3.98Å; F453-P455 HydrophobicContact CE1-CG 3.84Å; F453-P455 WeakPolarHBondContact O-CD 3.45Å; P455-L457 PolarHBondContact O-N 3.25Å; P455-Y458 WeakPolarHBondContact O-CB 3.38Å; P455-Y458 PolarHBondContact O-N 3.27Å; P455-Y458 VanDerWaalsContact O-N 3.08Å
456L76.7Confident71.8Confident64 Ų6447.4 Ų47.434%0.33525%0.251SS..G310 helixtrans-65.3-17.6-178.9-55-179.2000112.9K416 E420 D454 Y458 T459K416-L456 HydrophobicContact CB-CD2 3.94Å; K416-L456 HydrophobicContact CD-CD2 3.86Å; K416-L456 HydrophobicContact CD-CG 4.19Å; K416-L456 HydrophobicContact CG-CD2 4.03Å; E420-L456 WeakPolarHBondContact OE1-CD2 3.37Å; D454-L456 PolarHBondContact O-N 3.3Å; D454-L456 WeakPolarHBondContact OD1-CG 3.43Å; D454-L456 PolarHBondContact OD1-N 3.26Å; L456-Y458 PolarHBondContact O-N 3.02Å; L456-T459 PolarHBondContact O-OG1 2.75Å
457L77.2Confident74.1Confident140 Ų14046.5 Ų46.573%0.73325%0.245SC*.G310 helixtrans-70.3-7.7173.5-61.8175.7000113.5D454 P455D454-L457 HydrophobicContact CB-CG 4.5Å; D454-L457 PolarHBondContact O-N 3.18Å; P455-L457 PolarHBondContact O-N 3.25Å
458Y79.1Confident76.1Confident4 Ų446.1 Ų46.12%0.01624%0.242CC..G310 helixtrans-113.5-1.3-173.5-72.3-97.7000114.1F453 P455 L456 L460 S464 V465 V467 Y551 T553F453-Y458 HydrophobicContact CD2-CE2 4.37Å; F453-Y458 HydrophobicContact CE2-CD2 4.06Å; F453-Y458 AromaticContact CE2-CE2 3.27Å; F453-Y458 HydrophobicContact CE2-CE2 3.27Å; F453-Y458 AromaticContact CE2-CZ 3.75Å; F453-Y458 AromaticContact CZ-CD2 3.76Å; F453-Y458 HydrophobicContact CZ-CD2 3.76Å; F453-Y458 AromaticContact CZ-CE2 3.45Å; F453-Y458 HydrophobicContact CZ-CE2 3.45Å; F453-Y458 VanDerWaalsContact CZ-CE2 3.45Å; P455-Y458 WeakPolarHBondContact O-CB 3.38Å; P455-Y458 PolarHBondContact O-N 3.27Å; P455-Y458 VanDerWaalsContact O-N 3.08Å; L456-Y458 PolarHBondContact O-N 3.02Å; Y458-L460 PolarHBondContact O-N 2.87Å; Y458-S464 WeakPolarHBondContact CD1-O 3.5Å; Y458-S464 CarbonylContact O-C 3.3Å; Y458-S464 VanDerWaalsContact O-C 3.3Å; Y458-S464 WeakPolarHBondContact O-CB 3.37Å; Y458-V465 WeakPolarHBondContact O-CG2 3.4Å; Y458-V465 PolarHBondContact O-N 2.95Å; Y458-V465 VanDerWaalsContact O-N 3.13Å; Y458-V467 HydrophobicContact CD1-CB 4.25Å; Y458-V467 HydrophobicContact CD1-CG1 4.36Å; Y458-V467 HydrophobicContact CE1-CB 4.05Å; Y458-V467 HydrophobicContact CE1-CG1 3.66Å; Y458-Y551 PolarHBondContact OH-O 3.18Å; Y458-T553 HydrophobicContact CD1-CG2 3.68Å; Y458-T553 HydrophobicContact CE1-CG2 3.43Å; Y458-T553 VanDerWaalsContact CE1-CG2 3.43Å
459T75.4Confident78.1Confident30 Ų3042.3 Ų42.318%0.18422%0.222CC..THydrogen-bonded Turntrans-810.6-174.451.60000114.2L417 E420 L456 T461L417-T459 HydrophobicContact CD2-CG2 4.37Å; E420-T459 HydrophobicContact CB-CG2 3.9Å; E420-T459 WeakPolarHBondContact OE2-CB 3.43Å; E420-T459 WeakPolarHBondContact OE2-CG2 3.42Å; E420-T459 PolarHBondContact OE2-OG1 2.83Å; L456-T459 PolarHBondContact O-OG1 2.75Å; T459-T461 PolarHBondContact O-N 2.79Å
460L75.7Confident80.1Confident157 Ų15739.4 Ų39.482%0.82221%0.209SC*.THydrogen-bonded Turntrans-65.4-35.7-177.8-169.370000114.6Y458Y458-L460 PolarHBondContact O-N 2.87Å
461T82.5Confident81.7Confident47 Ų4739.4 Ų39.429%0.28821%0.208SC..SBendtrans-144155.4177.3700000110.6T459 D463 S464 V465T459-T461 PolarHBondContact O-N 2.79Å; T461-D463 PolarHBondContact O-N 3.46Å; T461-S464 WeakPolarHBondContact O-CA 3.2Å; T461-S464 WeakPolarHBondContact O-CB 3.34Å; T461-S464 PolarHBondContact O-N 2.96Å; T461-S464 WeakPolarHBondContact OG1-CB 3.45Å; T461-S464 PolarHBondContact OG1-N 3.21Å; T461-S464 VanDerWaalsContact OG1-N 3.13Å; T461-S464 PolarHBondContact OG1-OG 3.26Å; T461-V465 PolarHBondContact O-N 3.19Å
462K82Confident83.4Confident65 Ų6535.5 Ų35.528%0.28318%0.181SC..Hα-helixtrans-53.2-40173.5-76.8-166179.4-172.90112.7F421 S464 V465 D466 T659 Y660F421-K462 HydrophobicContact CD1-CG 4.32Å; F421-K462 HydrophobicContact CD2-CG 4.39Å; F421-K462 HydrophobicContact CE1-CD 4.14Å; F421-K462 HydrophobicContact CE1-CG 3.55Å; F421-K462 HydrophobicContact CE2-CB 4.48Å; F421-K462 HydrophobicContact CE2-CG 3.61Å; F421-K462 HydrophobicContact CZ-CB 4.41Å; F421-K462 HydrophobicContact CZ-CD 4.03Å; F421-K462 HydrophobicContact CZ-CG 3.16Å; K462-S464 VanDerWaalsContact C-N 3.32Å; K462-S464 PolarHBondContact O-N 2.92Å; K462-V465 WeakPolarHBondContact O-CB 3.47Å; K462-V465 PolarHBondContact O-N 2.93Å; K462-D466 PolarHBondContact O-N 3.46Å; K462-T659 HydrophobicContact CD-CG2 4.17Å; K462-T659 WeakPolarHBondContact CD-OG1 3.45Å; K462-T659 PolarHBondContact NZ-OG1 3.29Å; K462-Y660 HydrophobicContact CB-CD1 4.49Å; K462-Y660 HydrophobicContact CB-CE1 3.4Å; K462-Y660 VanDerWaalsContact CB-CE1 3.4Å; K462-Y660 WeakPolarHBondContact CB-OH 3.38Å; K462-Y660 HydrophobicContact CD-CE1 4.44Å; K462-Y660 PolarHBondContact O-OH 3.06Å
463D87.6Confident84.8Confident14 Ų1429.5 Ų29.58%0.07516%0.155CC..Hα-helixtrans-65.8-38.2179.2-86-43.8000111.2T461 D466 V467 K559 Y561 W562 Y660T461-D463 PolarHBondContact O-N 3.46Å; D463-D466 PolarHBondContact O-N 3.16Å; D463-V467 WeakPolarHBondContact O-CG2 3.43Å; D463-V467 PolarHBondContact O-N 3.27Å; D463-K559 HydrophobicContact CB-CG 4.02Å; D463-K559 WeakPolarHBondContact OD1-CD 3.05Å; D463-K559 WeakPolarHBondContact OD1-CE 3.28Å; D463-K559 WeakPolarHBondContact OD1-CG 3.5Å; D463-K559 IonicContact OD1-NZ 2.66Å; D463-K559 PolarHBondContact OD1-NZ 2.97Å; D463-Y561 WeakPolarHBondContact CB-OH 3.5Å; D463-W562 HydrophobicContact CB-CH2 4.08Å; D463-Y660 HydrophobicContact CB-CD1 4.45Å; D463-Y660 HydrophobicContact CB-CE1 4Å; D463-Y660 VanDerWaalsContact OD1-CD1 3.31Å; D463-Y660 WeakPolarHBondContact OD1-CD1 3.47Å; D463-Y660 WeakPolarHBondContact OD1-CE1 3.32Å; D463-Y660 WeakPolarHBondContact OD2-CD1 3.33Å; D463-Y660 WeakPolarHBondContact OD2-CE1 3.24Å
464S88.3Confident85.7Confident9 Ų929.1 Ų29.16%0.06315%0.153CC..Hα-helixtrans-64.9-44.4172.9-55.90000110.3Y458 T461 K462 D466 V467 G468Y458-S464 WeakPolarHBondContact CD1-O 3.5Å; Y458-S464 CarbonylContact O-C 3.3Å; Y458-S464 VanDerWaalsContact O-C 3.3Å; Y458-S464 WeakPolarHBondContact O-CB 3.37Å; T461-S464 WeakPolarHBondContact O-CA 3.2Å; T461-S464 WeakPolarHBondContact O-CB 3.34Å; T461-S464 PolarHBondContact O-N 2.96Å; T461-S464 WeakPolarHBondContact OG1-CB 3.45Å; T461-S464 PolarHBondContact OG1-N 3.21Å; T461-S464 VanDerWaalsContact OG1-N 3.13Å; T461-S464 PolarHBondContact OG1-OG 3.26Å; K462-S464 VanDerWaalsContact C-N 3.32Å; K462-S464 PolarHBondContact O-N 2.92Å; S464-D466 VanDerWaalsContact C-N 3.34Å; S464-D466 PolarHBondContact O-N 3.24Å; S464-V467 CarbonylContact O-C 3.6Å; S464-V467 PolarHBondContact O-N 2.96Å; S464-V467 VanDerWaalsContact O-N 3.09Å; S464-G468 PolarHBondContact O-N 3.47Å
465V89.3Confident86.4Confident5 Ų526 Ų263%0.0314%0.137CC..Hα-helixtrans-56.8-46.3173.9171.40000111L417 F421 Y458 T461 K462 V467 G468 I469L417-V465 HydrophobicContact CB-CG1 4.31Å; F421-V465 HydrophobicContact CB-CG2 4.27Å; F421-V465 HydrophobicContact CD2-CG2 4.3Å; F421-V465 HydrophobicContact CG-CG2 4.41Å; Y458-V465 WeakPolarHBondContact O-CG2 3.4Å; Y458-V465 PolarHBondContact O-N 2.95Å; Y458-V465 VanDerWaalsContact O-N 3.13Å; T461-V465 PolarHBondContact O-N 3.19Å; K462-V465 WeakPolarHBondContact O-CB 3.47Å; K462-V465 PolarHBondContact O-N 2.93Å; V465-V467 VanDerWaalsContact C-N 3.31Å; V465-V467 PolarHBondContact O-N 3.31Å; V465-G468 PolarHBondContact O-N 2.99Å; V465-I469 HydrophobicContact CG1-CD1 3.87Å; V465-I469 HydrophobicContact CG1-CG1 4.29Å; V465-I469 VanDerWaalsContact O-CG1 3.28Å; V465-I469 WeakPolarHBondContact O-CG1 3.47Å; V465-I469 PolarHBondContact O-N 3.4Å
466D91.1Very high87.1Confident1 Ų126.2 Ų26.21%0.00514%0.138CC..Hα-helixtrans-62.4-31.2176.4-83.3-15.2000113.3P282 V283 N284 K462 D463 S464 R470 Y660P282-D466 WeakPolarHBondContact CA-OD2 3.42Å; V283-D466 WeakPolarHBondContact CA-OD1 3.27Å; V283-D466 HydrophobicContact CB-CB 4.07Å; V283-D466 WeakPolarHBondContact CB-OD1 3.26Å; V283-D466 HydrophobicContact CG2-CB 4.12Å; V283-D466 VanDerWaalsContact N-CG 3.28Å; V283-D466 PolarHBondContact N-OD1 2.84Å; V283-D466 PolarHBondContact N-OD2 2.97Å; N284-D466 PolarHBondContact N-OD1 3.26Å; K462-D466 PolarHBondContact O-N 3.46Å; D463-D466 PolarHBondContact O-N 3.16Å; S464-D466 VanDerWaalsContact C-N 3.34Å; S464-D466 PolarHBondContact O-N 3.24Å; D466-R470 WeakPolarHBondContact O-CG 3.32Å; D466-R470 PolarHBondContact O-N 2.7Å; D466-R470 PolarHBondContact O-NE 3.07Å; D466-Y660 PolarHBondContact OD2-OH 3.02Å
467V92.4Very high87.8Confident0 Ų023.2 Ų23.20%012%0.122CC..Hα-helixtrans-71.3-45.4168179.80000110.8L276 Y458 D463 S464 V465 I469 R470 V471 T553 I556 W562L276-V467 HydrophobicContact CD1-CG1 3.97Å; Y458-V467 HydrophobicContact CD1-CB 4.25Å; Y458-V467 HydrophobicContact CD1-CG1 4.36Å; Y458-V467 HydrophobicContact CE1-CB 4.05Å; Y458-V467 HydrophobicContact CE1-CG1 3.66Å; D463-V467 WeakPolarHBondContact O-CG2 3.43Å; D463-V467 PolarHBondContact O-N 3.27Å; S464-V467 CarbonylContact O-C 3.6Å; S464-V467 PolarHBondContact O-N 2.96Å; S464-V467 VanDerWaalsContact O-N 3.09Å; V465-V467 VanDerWaalsContact C-N 3.31Å; V465-V467 PolarHBondContact O-N 3.31Å; V467-I469 VanDerWaalsContact C-N 3.31Å; V467-I469 PolarHBondContact O-N 3.07Å; V467-R470 PolarHBondContact O-N 3.21Å; V467-R470 VanDerWaalsContact O-N 3.1Å; V467-V471 HydrophobicContact CG1-CG2 4.09Å; V467-V471 WeakPolarHBondContact O-CG2 3.22Å; V467-V471 PolarHBondContact O-N 2.55Å; V467-T553 HydrophobicContact CB-CG2 4.46Å; V467-T553 HydrophobicContact CG1-CG2 4.36Å; V467-I556 HydrophobicContact CG1-CD1 4.12Å; V467-I556 HydrophobicContact CG1-CG1 4.27Å; V467-W562 HydrophobicContact CG2-CH2 3.7Å; V467-W562 HydrophobicContact CG2-CZ3 3.77Å
468G91.8Very high88.3Confident0 Ų018.2 Ų18.20%010%0.096CC..Hα-helixtrans-62.6-34.2-178.300000113.8S464 V465 S472S464-G468 PolarHBondContact O-N 3.47Å; V465-G468 PolarHBondContact O-N 2.99Å; G468-S472 WeakPolarHBondContact O-CB 3.4Å; G468-S472 PolarHBondContact O-N 3.48Å; G468-S472 PolarHBondContact O-OG 2.95Å
469I93.4Very high88.7Confident0 Ų018.3 Ų18.30%010%0.097CC..Hα-helixtrans-63.9-50.8170.8-66.8172.2000109.8V283 N284 F287 L328 L414 L417 L418 V465 V467 V471 S472 M473V283-I469 HydrophobicContact CG1-CG2 4.48Å; N284-I469 HydrophobicContact CB-CD1 3.76Å; F287-I469 HydrophobicContact CE2-CG2 4.01Å; L328-I469 HydrophobicContact CD2-CG2 3.53Å; L414-I469 HydrophobicContact CD2-CB 4.18Å; L414-I469 HydrophobicContact CD2-CG1 3.89Å; L414-I469 HydrophobicContact CD2-CG2 3.96Å; L417-I469 HydrophobicContact CD1-CG1 4.09Å; L418-I469 HydrophobicContact CD2-CD1 4.25Å; V465-I469 HydrophobicContact CG1-CD1 3.87Å; V465-I469 HydrophobicContact CG1-CG1 4.29Å; V465-I469 VanDerWaalsContact O-CG1 3.28Å; V465-I469 WeakPolarHBondContact O-CG1 3.47Å; V465-I469 PolarHBondContact O-N 3.4Å; V467-I469 VanDerWaalsContact C-N 3.31Å; V467-I469 PolarHBondContact O-N 3.07Å; I469-V471 PolarHBondContact O-N 3.15Å; I469-S472 PolarHBondContact O-N 3.05Å; I469-M473 PolarHBondContact O-N 3.2Å
470R93.8Very high89Confident8 Ų820.2 Ų20.23%0.0311%0.106CC..Hα-helixtrans-60-44.9178.3-74.5178-74.8175.70.5112L276 P277 V283 D466 V467 S472 M473 I474 D558L276-R470 HydrophobicContact CD1-CB 4.12Å; P277-R470 PolarHBondContact O-NH1 3.47Å; V283-R470 HydrophobicContact CG1-CG 4.34Å; D466-R470 WeakPolarHBondContact O-CG 3.32Å; D466-R470 PolarHBondContact O-N 2.7Å; D466-R470 PolarHBondContact O-NE 3.07Å; V467-R470 PolarHBondContact O-N 3.21Å; V467-R470 VanDerWaalsContact O-N 3.1Å; R470-S472 VanDerWaalsContact C-N 3.35Å; R470-S472 PolarHBondContact O-N 2.95Å; R470-M473 PolarHBondContact O-N 3.32Å; R470-I474 VanDerWaalsContact O-CD1 3.27Å; R470-I474 WeakPolarHBondContact O-CD1 3.46Å; R470-I474 VanDerWaalsContact O-CG1 3.22Å; R470-I474 WeakPolarHBondContact O-CG1 3.31Å; R470-I474 PolarHBondContact O-N 2.88Å; R470-D558 IonicContact CZ-OD1 2.72Å; R470-D558 IonicContact CZ-OD2 2.67Å; R470-D558 IonicContact NH1-OD1 3.36Å; R470-D558 PolarHBondContact NH1-OD1 3.4Å; R470-D558 IonicContact NH1-OD2 3.72Å; R470-D558 PolarHBondContact NH1-OD2 3.09Å; R470-D558 IonicContact NH2-OD1 2.61Å; R470-D558 PolarHBondContact NH2-OD1 2.9Å; R470-D558 IonicContact NH2-OD2 3.49Å; R470-D558 PolarHBondContact NH2-OD2 3.48Å
471V92.7Very high89.6Confident0 Ų013 Ų130%07%0.068CC..Hα-helixtrans-61.2-42175.4177.60000111.6F453 V467 I469 M473 I474 L475 I546 Y551 I556F453-V471 HydrophobicContact CD2-CG1 3.67Å; F453-V471 HydrophobicContact CE2-CB 3.88Å; F453-V471 HydrophobicContact CE2-CG1 3.27Å; F453-V471 HydrophobicContact CZ-CB 4.03Å; F453-V471 HydrophobicContact CZ-CG1 3.83Å; V467-V471 HydrophobicContact CG1-CG2 4.09Å; V467-V471 WeakPolarHBondContact O-CG2 3.22Å; V467-V471 PolarHBondContact O-N 2.55Å; I469-V471 PolarHBondContact O-N 3.15Å; V471-M473 PolarHBondContact O-N 2.9Å; V471-I474 PolarHBondContact O-N 3.38Å; V471-L475 HydrophobicContact CG1-CD1 3.88Å; V471-L475 HydrophobicContact CG1-CG 4.23Å; V471-L475 WeakPolarHBondContact O-CG 3.47Å; V471-L475 PolarHBondContact O-N 3.47Å; V471-I546 HydrophobicContact CG1-CG2 4.02Å; V471-I546 HydrophobicContact CG2-CD1 4.11Å; V471-I546 HydrophobicContact CG2-CG1 4.48Å; V471-Y551 HydrophobicContact CG1-CD1 4.05Å; V471-Y551 HydrophobicContact CG1-CE1 4.31Å; V471-I556 HydrophobicContact CG2-CD1 3.53Å
472S92.1Very high90Very high0 Ų010.7 Ų10.70%05%0.054CC..Hα-helixtrans-61.4-41.1176.5-59.50000112.6G468 I469 R470 F476G468-S472 WeakPolarHBondContact O-CB 3.4Å; G468-S472 PolarHBondContact O-N 3.48Å; G468-S472 PolarHBondContact O-OG 2.95Å; I469-S472 PolarHBondContact O-N 3.05Å; R470-S472 VanDerWaalsContact C-N 3.35Å; R470-S472 PolarHBondContact O-N 2.95Å; S472-F476 WeakPolarHBondContact O-CB 3.39Å; S472-F476 PolarHBondContact O-N 2.76Å
473M93.2Very high90.4Very high1 Ų17.7 Ų7.71%0.0054%0.041CC..Hα-helixtrans-63.6-45.1174.4-68.4-62.4-70.700112.2F296 I299 L328 L410 I469 R470 V471 L475 F476 F477F296-M473 HydrophobicContact CE1-SD 4.02Å; F296-M473 HydrophobicContact CZ-SD 4.49Å; I299-M473 HydrophobicContact CD1-CE 4.34Å; I299-M473 HydrophobicContact CG2-CE 3.96Å; L328-M473 HydrophobicContact CD2-CG 4.04Å; L328-M473 VanDerWaalsContact O-CE 3.27Å; L328-M473 WeakPolarHBondContact O-CE 3.36Å; L410-M473 HydrophobicContact CD1-SD 4.4Å; L410-M473 HydrophobicContact CD2-SD 4.02Å; I469-M473 PolarHBondContact O-N 3.2Å; R470-M473 PolarHBondContact O-N 3.32Å; V471-M473 PolarHBondContact O-N 2.9Å; M473-L475 PolarHBondContact O-N 2.83Å; M473-F476 WeakPolarHBondContact O-CB 3.4Å; M473-F476 PolarHBondContact O-N 2.85Å; M473-F477 HydrophobicContact CB-CE2 4.43Å; M473-F477 HydrophobicContact CE-CE2 4.26Å; M473-F477 HydrophobicContact CE-CZ 4.27Å; M473-F477 WeakPolarHBondContact O-CD2 3.35Å; M473-F477 PolarHBondContact O-N 3.14Å
474I92.5Very high90.3Very high0 Ų07.1 Ų7.10%04%0.038CC..Hα-helixtrans-60.2-45.6177.8-66.1156.3000111.2L276 Y330 R470 V471 F477 N478 Y543 I546L276-I474 HydrophobicContact CD2-CD1 4.04Å; Y330-I474 HydrophobicContact CD1-CD1 3.56Å; Y330-I474 HydrophobicContact CD1-CG1 3.56Å; Y330-I474 HydrophobicContact CE1-CD1 3.37Å; Y330-I474 HydrophobicContact CE1-CG1 3.76Å; R470-I474 VanDerWaalsContact O-CD1 3.27Å; R470-I474 WeakPolarHBondContact O-CD1 3.46Å; R470-I474 VanDerWaalsContact O-CG1 3.22Å; R470-I474 WeakPolarHBondContact O-CG1 3.31Å; R470-I474 PolarHBondContact O-N 2.88Å; V471-I474 PolarHBondContact O-N 3.38Å; I474-F477 PolarHBondContact O-N 3.29Å; I474-N478 PolarHBondContact O-N 3.49Å; I474-Y543 HydrophobicContact CG2-CD2 3.73Å; I474-Y543 HydrophobicContact CG2-CE2 3.9Å; I474-I546 HydrophobicContact CB-CG2 4.24Å; I474-I546 HydrophobicContact CD1-CD1 3.54Å; I474-I546 HydrophobicContact CG2-CB 4.3Å; I474-I546 HydrophobicContact CG2-CG2 3.64Å
475L90.7Very high90Very high1 Ų17.9 Ų7.91%0.0055%0.048CC..Hα-helixtrans-64.8-39.6177.5-68.9174000111.5L450 F453 V471 M473 N478 T479 I546 Y551L450-L475 HydrophobicContact CD1-CB 3.95Å; L450-L475 VanDerWaalsContact CD1-O 3.31Å; L450-L475 WeakPolarHBondContact CD1-O 3.16Å; L450-L475 HydrophobicContact CG-CB 3.9Å; F453-L475 HydrophobicContact CB-CD1 3.54Å; F453-L475 HydrophobicContact CD1-CD1 4.29Å; F453-L475 HydrophobicContact CD2-CD1 3.97Å; F453-L475 HydrophobicContact CG-CD1 3.69Å; V471-L475 HydrophobicContact CG1-CD1 3.88Å; V471-L475 HydrophobicContact CG1-CG 4.23Å; V471-L475 WeakPolarHBondContact O-CG 3.47Å; V471-L475 PolarHBondContact O-N 3.47Å; M473-L475 PolarHBondContact O-N 2.83Å; L475-N478 CarbonylContact O-C 3.48Å; L475-N478 PolarHBondContact O-N 2.92Å; L475-T479 PolarHBondContact O-N 2.67Å; L475-I546 HydrophobicContact CD2-CG2 4.41Å; L475-Y551 HydrophobicContact CD1-CE1 4.29Å; L475-Y551 HydrophobicContact CD2-CE1 4.21Å
476F91.1Very high89.8Confident4 Ų47.9 Ų7.92%0.0185%0.047CC..Hα-helixtrans-57.2-49172.9166.8-96.4000112.1L402 E406 L410 S472 M473 N478 T479 I482L402-F476 HydrophobicContact CD2-CZ 3.9Å; E406-F476 HydrophobicContact CB-CD2 4.13Å; E406-F476 HydrophobicContact CB-CE2 4.03Å; L410-F476 HydrophobicContact CB-CD2 4.43Å; L410-F476 HydrophobicContact CD1-CB 4.31Å; L410-F476 HydrophobicContact CD2-CB 3.91Å; L410-F476 HydrophobicContact CD2-CD1 4.24Å; L410-F476 HydrophobicContact CD2-CD2 3.84Å; L410-F476 HydrophobicContact CD2-CE2 4.46Å; L410-F476 HydrophobicContact CD2-CG 3.72Å; S472-F476 WeakPolarHBondContact O-CB 3.39Å; S472-F476 PolarHBondContact O-N 2.76Å; M473-F476 WeakPolarHBondContact O-CB 3.4Å; M473-F476 PolarHBondContact O-N 2.85Å; F476-N478 VanDerWaalsContact C-N 3.27Å; F476-N478 PolarHBondContact O-N 3.47Å; F476-T479 WeakPolarHBondContact O-CB 2.97Å; F476-T479 WeakPolarHBondContact O-CG2 3.39Å; F476-T479 PolarHBondContact O-N 3.27Å; F476-T479 VanDerWaalsContact O-N 3.15Å; F476-T479 PolarHBondContact O-OG1 3.29Å; F476-I482 HydrophobicContact CD2-CG1 4.31Å; F476-I482 HydrophobicContact CE1-CD1 4.08Å; F476-I482 HydrophobicContact CE1-CG1 4.07Å; F476-I482 HydrophobicContact CE1-CG2 4.16Å; F476-I482 HydrophobicContact CE2-CD1 3.82Å; F476-I482 HydrophobicContact CE2-CG1 3.75Å; F476-I482 HydrophobicContact CZ-CD1 3.36Å; F476-I482 HydrophobicContact CZ-CG1 3.6Å; F476-I482 HydrophobicContact CZ-CG2 4.46Å
477F91.1Very high89.3Confident2 Ų29 Ų91%0.0096%0.055CC..Hα-helixtrans-60.1-37.6175.7-68.5-60.4000112.2L303 L332 M473 I474 T479 I482 L483 G484L303-F477 HydrophobicContact CD1-CE1 3.83Å; L303-F477 HydrophobicContact CD1-CZ 3.98Å; L303-F477 HydrophobicContact CD2-CE1 3.8Å; L303-F477 HydrophobicContact CD2-CZ 3.83Å; L332-F477 HydrophobicContact CD1-CD1 4.25Å; L332-F477 HydrophobicContact CD1-CE1 3.89Å; L332-F477 HydrophobicContact CD1-CZ 4.27Å; M473-F477 HydrophobicContact CB-CE2 4.43Å; M473-F477 HydrophobicContact CE-CE2 4.26Å; M473-F477 HydrophobicContact CE-CZ 4.27Å; M473-F477 WeakPolarHBondContact O-CD2 3.35Å; M473-F477 PolarHBondContact O-N 3.14Å; I474-F477 PolarHBondContact O-N 3.29Å; F477-T479 PolarHBondContact O-N 2.91Å; F477-I482 HydrophobicContact CD1-CG2 4.02Å; F477-L483 HydrophobicContact CD1-CD1 4.38Å; F477-L483 CarbonylContact O-C 3.58Å; F477-L483 VanDerWaalsContact O-CA 3.3Å; F477-L483 WeakPolarHBondContact O-CA 3.32Å; F477-L483 WeakPolarHBondContact O-CB 3.5Å; F477-L483 PolarHBondContact O-N 2.9Å; F477-G484 PolarHBondContact O-N 2.96Å
478N88Confident88.5Confident34 Ų3410.2 Ų10.218%0.1826%0.061CC..THydrogen-bonded Turntrans-74.93179.2-161.633.5000114.6I474 L475 F476 G484 C547I474-N478 PolarHBondContact O-N 3.49Å; L475-N478 CarbonylContact O-C 3.48Å; L475-N478 PolarHBondContact O-N 2.92Å; F476-N478 VanDerWaalsContact C-N 3.27Å; F476-N478 PolarHBondContact O-N 3.47Å; N478-G484 WeakPolarHBondContact O-CA 3.44Å; N478-C547 PolarHBondContact ND2-SG 3Å
479T87.4Confident88.1Confident6 Ų610.4 Ų10.44%0.0376%0.062CC..SBendtrans-73.3148.2176.359.20000113.2E406 L450 L475 F476 F477 N481 I482 L483 G484E406-T479 HydrophobicContact CG-CG2 3.91Å; L450-T479 HydrophobicContact CD1-CG2 3.24Å; L475-T479 PolarHBondContact O-N 2.67Å; F476-T479 WeakPolarHBondContact O-CB 2.97Å; F476-T479 WeakPolarHBondContact O-CG2 3.39Å; F476-T479 PolarHBondContact O-N 3.27Å; F476-T479 VanDerWaalsContact O-N 3.15Å; F476-T479 PolarHBondContact O-OG1 3.29Å; F477-T479 PolarHBondContact O-N 2.91Å; T479-N481 PolarHBondContact O-N 2.83Å; T479-N481 VanDerWaalsContact O-N 3.07Å; T479-I482 CarbonylContact O-C 3.58Å; T479-I482 PolarHBondContact O-N 2.85Å; T479-I482 WeakPolarHBondContact OG1-CB 3.22Å; T479-I482 WeakPolarHBondContact OG1-CG1 3.41Å; T479-I482 PolarHBondContact OG1-N 2.66Å; T479-L483 PolarHBondContact O-N 3.46Å; T479-G484 VanDerWaalsContact O-CA 3.31Å; T479-G484 WeakPolarHBondContact O-CA 3.29Å; T479-G484 PolarHBondContact O-N 3.28Å
480N83.3Confident87.7Confident70 Ų7010.7 Ų10.737%0.3746%0.063SC..THydrogen-bonded Turntrans-65-12.7-177.2-71.4-24.1000115.1T446 R512 P513T446-N480 HydrophobicContact CG2-CB 4.43Å; N480-R512 WeakPolarHBondContact O-CD 3.42Å; N480-R512 PolarHBondContact O-NH1 3.07Å; N480-P513 HydrophobicContact CB-CG 4.15Å; N480-P513 VanDerWaalsContact O-CD 3.24Å; N480-P513 WeakPolarHBondContact O-CD 3.26Å
481N86.8Confident87.2Confident5 Ų511.1 Ų11.13%0.0277%0.065CC..THydrogen-bonded Turntrans-99.6-12.9172.5-70.6-43.9000113.6E406 T479 P513 K514 T519E406-N481 PolarHBondContact OE1-ND2 3.3Å; T479-N481 PolarHBondContact O-N 2.83Å; T479-N481 VanDerWaalsContact O-N 3.07Å; N481-P513 VanDerWaalsContact OD1-CD 3.3Å; N481-P513 WeakPolarHBondContact OD1-CD 3.48Å; N481-K514 PolarHBondContact OD1-N 2.95Å; N481-K514 PolarHBondContact OD1-O 3.05Å; N481-T519 WeakPolarHBondContact O-CB 3.39Å; N481-T519 VanDerWaalsContact O-CG2 3.29Å; N481-T519 WeakPolarHBondContact O-CG2 3.37Å; N481-T519 PolarHBondContact O-OG1 2.98Å
482I90.9Very high86.9Confident0 Ų011.5 Ų11.50%07%0.067CC..THydrogen-bonded Turntrans-98.6-107.6171.7-55.1-67.2000108.1P403 F476 F477 T479 F508 R512 F518 L522P403-I482 HydrophobicContact CG-CD1 3.63Å; F476-I482 HydrophobicContact CD2-CG1 4.31Å; F476-I482 HydrophobicContact CE1-CD1 4.08Å; F476-I482 HydrophobicContact CE1-CG1 4.07Å; F476-I482 HydrophobicContact CE1-CG2 4.16Å; F476-I482 HydrophobicContact CE2-CD1 3.82Å; F476-I482 HydrophobicContact CE2-CG1 3.75Å; F476-I482 HydrophobicContact CZ-CD1 3.36Å; F476-I482 HydrophobicContact CZ-CG1 3.6Å; F476-I482 HydrophobicContact CZ-CG2 4.46Å; F477-I482 HydrophobicContact CD1-CG2 4.02Å; T479-I482 CarbonylContact O-C 3.58Å; T479-I482 PolarHBondContact O-N 2.85Å; T479-I482 WeakPolarHBondContact OG1-CB 3.22Å; T479-I482 WeakPolarHBondContact OG1-CG1 3.41Å; T479-I482 PolarHBondContact OG1-N 2.66Å; I482-F508 VanDerWaalsContact O-CZ 3.29Å; I482-F508 WeakPolarHBondContact O-CZ 3.34Å; I482-R512 PolarHBondContact O-NH1 3.03Å; I482-F518 HydrophobicContact CD1-CD1 4.12Å; I482-F518 HydrophobicContact CD1-CE1 3.99Å; I482-L522 HydrophobicContact CG2-CD2 4.08Å
483L91.2Very high86.7Confident2 Ų211.6 Ų11.61%0.017%0.068CC..THydrogen-bonded Turntrans-112.75-176.3-61.7172.5000113.6L332 F477 T479 G485 F486 F508 L522 V528L332-L483 HydrophobicContact CD1-CD1 4.19Å; L332-L483 HydrophobicContact CD2-CD1 3.98Å; F477-L483 HydrophobicContact CD1-CD1 4.38Å; F477-L483 CarbonylContact O-C 3.58Å; F477-L483 VanDerWaalsContact O-CA 3.3Å; F477-L483 WeakPolarHBondContact O-CA 3.32Å; F477-L483 WeakPolarHBondContact O-CB 3.5Å; F477-L483 PolarHBondContact O-N 2.9Å; T479-L483 PolarHBondContact O-N 3.46Å; L483-G485 PolarHBondContact O-N 2.78Å; L483-F486 VanDerWaalsContact O-CB 3.27Å; L483-F486 WeakPolarHBondContact O-CB 3.39Å; L483-F486 VanDerWaalsContact O-CD1 3.27Å; L483-F486 WeakPolarHBondContact O-CD1 3.41Å; L483-F486 PolarHBondContact O-N 3.12Å; L483-F508 HydrophobicContact CD2-CZ 4.01Å; L483-L522 HydrophobicContact CD1-CD2 4.44Å; L483-L522 HydrophobicContact CG-CD2 4.4Å; L483-V528 HydrophobicContact CD1-CG2 4.01Å; L483-V528 HydrophobicContact CD2-CG1 4.17Å; L483-V528 HydrophobicContact CD2-CG2 4.07Å
484G86Confident86.6Confident1 Ų111.7 Ų11.71%0.017%0.068CC..THydrogen-bonded Turntrans-51.6126.3178.200000112.6F477 N478 T479 F486 R512F477-G484 PolarHBondContact O-N 2.96Å; N478-G484 WeakPolarHBondContact O-CA 3.44Å; T479-G484 VanDerWaalsContact O-CA 3.31Å; T479-G484 WeakPolarHBondContact O-CA 3.29Å; T479-G484 PolarHBondContact O-N 3.28Å; G484-F486 VanDerWaalsContact C-N 3.29Å; G484-F486 PolarHBondContact O-N 3.24Å; G484-R512 PolarHBondContact O-NH1 3.23Å; G484-R512 PolarHBondContact O-NH2 2.83Å
485G80.3Confident86.4Confident25 Ų2511.8 Ų11.826%0.2587%0.068SC..THydrogen-bonded Turntrans69.811.3-179.100000116.4L483 T487 N488L483-G485 PolarHBondContact O-N 2.78Å; G485-T487 PolarHBondContact O-N 2.93Å; G485-N488 WeakPolarHBondContact O-CB 3.49Å; G485-N488 PolarHBondContact O-N 3.36Å; G485-N488 PolarHBondContact O-ND2 3.04Å
486F85.3Confident86.3Confident6 Ų612.2 Ų12.23%0.0267%0.07CC..G310 helixtrans-54-27.7179.980.3-64.6000114.2L483 G484 N488 H489 I490 F503 F508 F531 A532L483-F486 VanDerWaalsContact O-CB 3.27Å; L483-F486 WeakPolarHBondContact O-CB 3.39Å; L483-F486 VanDerWaalsContact O-CD1 3.27Å; L483-F486 WeakPolarHBondContact O-CD1 3.41Å; L483-F486 PolarHBondContact O-N 3.12Å; G484-F486 VanDerWaalsContact C-N 3.29Å; G484-F486 PolarHBondContact O-N 3.24Å; F486-N488 PolarHBondContact O-N 2.91Å; F486-N488 VanDerWaalsContact O-N 3.13Å; F486-H489 WeakPolarHBondContact O-CB 3.36Å; F486-H489 PolarHBondContact O-N 3.18Å; F486-I490 HydrophobicContact CD2-CD1 3.8Å; F486-I490 HydrophobicContact CE2-CD1 3.64Å; F486-I490 HydrophobicContact CZ-CD1 4.48Å; F486-F503 HydrophobicContact CB-CE2 4.33Å; F486-F508 HydrophobicContact CB-CD2 3.96Å; F486-F508 HydrophobicContact CB-CE2 3.55Å; F486-F508 HydrophobicContact CB-CZ 4.45Å; F486-F531 HydrophobicContact CD1-CE1 4.19Å; F486-F531 HydrophobicContact CD2-CD1 4.45Å; F486-F531 AromaticContact CE1-CD1 3.96Å; F486-F531 HydrophobicContact CE1-CD1 3.96Å; F486-F531 AromaticContact CE1-CE1 3.33Å; F486-F531 HydrophobicContact CE1-CE1 3.33Å; F486-F531 AromaticContact CE1-CZ 3.83Å; F486-F531 HydrophobicContact CE1-CZ 3.83Å; F486-F531 AromaticContact CE2-CD1 3.6Å; F486-F531 HydrophobicContact CE2-CD1 3.6Å; F486-F531 AromaticContact CE2-CE1 3.88Å; F486-F531 HydrophobicContact CE2-CE1 3.88Å; F486-F531 HydrophobicContact CE2-CG 4.28Å; F486-F531 AromaticContact CZ-CD1 3.32Å; F486-F531 HydrophobicContact CZ-CD1 3.32Å; F486-F531 HydrophobicContact CZ-CD2 4.48Å; F486-F531 AromaticContact CZ-CE1 3.15Å; F486-F531 HydrophobicContact CZ-CE1 3.15Å; F486-F531 HydrophobicContact CZ-CE2 4.32Å; F486-F531 HydrophobicContact CZ-CG 4.02Å; F486-F531 AromaticContact CZ-CZ 3.7Å; F486-F531 HydrophobicContact CZ-CZ 3.7Å; F486-A532 HydrophobicContact CE2-CB 4.37Å
487T80.9Confident85.8Confident25 Ų2515.6 Ų15.615%0.1539%0.093CC..G310 helixtrans-57-22.1175.548.20000114.8G485 H489 H964G485-T487 PolarHBondContact O-N 2.93Å; T487-H489 VanDerWaalsContact C-N 3.25Å; T487-H489 PolarHBondContact O-N 3.38Å; T487-H964 PolarHBondContact OG1-NE2 2.85Å
488N76.2Confident85.2Confident25 Ų2517.6 Ų17.613%0.13410%0.1CC..G310 helixtrans-72-20.9173-65.7-71.3000112.9G485 F486 R491 P960 T961 H964G485-N488 WeakPolarHBondContact O-CB 3.49Å; G485-N488 PolarHBondContact O-N 3.36Å; G485-N488 PolarHBondContact O-ND2 3.04Å; F486-N488 PolarHBondContact O-N 2.91Å; F486-N488 VanDerWaalsContact O-N 3.13Å; N488-R491 PolarHBondContact O-NH1 2.88Å; N488-R491 VanDerWaalsContact O-NH1 3.11Å; N488-P960 HydrophobicContact CB-CB 4.46Å; N488-P960 WeakPolarHBondContact OD1-CB 3.44Å; N488-T961 WeakPolarHBondContact O-CG2 3.4Å; N488-H964 PolarHBondContact OD1-CD2 3.24Å
489H82.4Confident85.1Confident4 Ų417.4 Ų17.42%0.01910%0.101CC..G310 helixtrans-103.718.4-176.1-50.7-87.1000111.6F486 T487 F503 Q504 S507 F508F486-H489 WeakPolarHBondContact O-CB 3.36Å; F486-H489 PolarHBondContact O-N 3.18Å; T487-H489 VanDerWaalsContact C-N 3.25Å; T487-H489 PolarHBondContact O-N 3.38Å; H489-F503 HydrophobicContact CB-CD2 4.38Å; H489-F503 HydrophobicContact CB-CE2 4.07Å; H489-Q504 HydrophobicContact CB-CB 4.44Å; H489-Q504 PolarHBondContact O-N 2.68Å; H489-S507 PolarHBondContact CE1-O 3.09Å; H489-S507 PolarHBondContact ND1-O 2.89Å; H489-S507 PolarHBondContact ND1-OG 2.95Å; H489-F508 HydrophobicContact CB-CB 3.86Å; H489-F508 AromaticContact CD2-CD2 3.72Å; H489-F508 WeakPolarHBondContact ND1-CA 3.15Å; H489-F508 PolarHBondContact ND1-N 3.32Å
490I84.8Confident85.1Confident6 Ų617.3 Ų17.33%0.03110%0.1CC..EExtended strand (participates in β ladder)trans-107.6143.6179.5-80.8177.3000109.2F486 V501 F503 A532F486-I490 HydrophobicContact CD2-CD1 3.8Å; F486-I490 HydrophobicContact CE2-CD1 3.64Å; F486-I490 HydrophobicContact CZ-CD1 4.48Å; I490-V501 HydrophobicContact CB-CG1 4.17Å; I490-V501 HydrophobicContact CD1-CG1 4.34Å; I490-V501 HydrophobicContact CG1-CG1 3.89Å; I490-V501 HydrophobicContact CG2-CG1 3.66Å; I490-V501 HydrophobicContact CG2-CG2 4.15Å; I490-F503 HydrophobicContact CG1-CD2 4.11Å; I490-A532 HydrophobicContact CD1-CB 3.45Å; I490-A532 VanDerWaalsContact CD1-CB 3.45Å; I490-A532 HydrophobicContact CG1-CB 4.05Å
491R83.7Confident85.2Confident16 Ų1614.1 Ų14.16%0.068%0.083CC..EExtended strand (participates in β ladder)trans-131.7131.2168.6-58.5-65.5-177.8-72.3-9.6109.3N488 V501 A502 Q504 L1358 D1359N488-R491 PolarHBondContact O-NH1 2.88Å; N488-R491 VanDerWaalsContact O-NH1 3.11Å; R491-V501 WeakPolarHBondContact O-CA 3.22Å; R491-A502 PolarHBondContact N-O 2.66Å; R491-A502 PolarHBondContact O-N 3.12Å; R491-Q504 VanDerWaalsContact CZ-OE1 3.23Å; R491-L1358 HydrophobicContact CB-CB 4.31Å; R491-L1358 HydrophobicContact CG-CB 4.03Å; R491-D1359 IonicContact CZ-OD1 3.89Å; R491-D1359 IonicContact NE-OD1 2.7Å; R491-D1359 PolarHBondContact NE-OD1 2.72Å; R491-D1359 IonicContact NH2-OD1 2.8Å; R491-D1359 PolarHBondContact NH2-OD1 3.36Å
492T87Confident85.2Confident9 Ų913.9 Ų13.96%0.0558%0.082CC..EExtended strand (participates in β ladder)trans-69.2127.2168.6-40.80000108.7L495 I536 R1365 D1371T492-L495 HydrophobicContact CG2-CD2 4.11Å; T492-L495 HydrophobicContact CG2-CG 4.35Å; T492-I536 HydrophobicContact CG2-CD1 3.81Å; T492-R1365 WeakPolarHBondContact O-CD 3.42Å; T492-D1371 WeakPolarHBondContact CB-OD2 3.41Å; T492-D1371 PolarHBondContact OG1-OD2 3.45Å
493L88.8Confident85Confident1 Ų115.3 Ų15.31%0.0059%0.088CC..EExtended strand (participates in β ladder)trans-90.1-52.1166.8-75.3174.7000110.3V500 A502 F1357 L1358 V1361 R1365 L1400 K1431L493-V500 HydrophobicContact CD1-CG1 4.36Å; L493-V500 PolarHBondContact N-O 2.79Å; L493-A502 HydrophobicContact CD1-CB 4.23Å; L493-A502 HydrophobicContact CG-CB 4.34Å; L493-F1357 HydrophobicContact CD2-CE1 3.91Å; L493-L1358 HydrophobicContact CD2-CD2 3.59Å; L493-L1358 HydrophobicContact CG-CD2 4.27Å; L493-V1361 HydrophobicContact CD2-CG1 4.22Å; L493-R1365 PolarHBondContact O-NH1 3.1Å; L493-L1400 HydrophobicContact CB-CD2 4.46Å; L493-L1400 HydrophobicContact CD2-CD2 4.03Å; L493-K1431 HydrophobicContact CD1-CG 4.2Å
494R89.8Confident84.6Confident4 Ų415.6 Ų15.62%0.0159%0.09CC..EExtended strand (participates in β ladder)trans-148.1163.8-178.880.7-169.4-62.8131.87.4111.7F496 P499 V500 E1396 D1397 L1400 S1432 H1433R494-F496 VanDerWaalsContact CZ-O 3.27Å; R494-F496 PolarHBondContact NE-O 2.83Å; R494-F496 PolarHBondContact NH2-O 3.39Å; R494-P499 WeakPolarHBondContact O-CA 3.46Å; R494-V500 HydrophobicContact CG-CB 3.93Å; R494-V500 HydrophobicContact CG-CG2 3.65Å; R494-V500 PolarHBondContact O-N 3.13Å; R494-E1396 WeakPolarHBondContact CA-OE1 3.37Å; R494-E1396 WeakPolarHBondContact CB-OE2 3.33Å; R494-D1397 IonicContact CZ-OD1 2.75Å; R494-D1397 VanDerWaalsContact CZ-OD1 3.27Å; R494-D1397 IonicContact NH1-OD1 3.94Å; R494-D1397 PolarHBondContact NH1-OD1 2.98Å; R494-D1397 IonicContact NH2-OD1 2.86Å; R494-D1397 PolarHBondContact NH2-OD1 3.37Å; R494-L1400 HydrophobicContact CB-CD1 4.33Å; R494-S1432 WeakPolarHBondContact CD-O 3.39Å; R494-S1432 PolarHBondContact NH1-O 3.31Å; R494-H1433 PolarHBondContact NH1-O 3.06Å
495L88.2Confident84.6Confident1 Ų117.8 Ų17.81%0.00510%0.098CC..  trans-112.3-27.4172.1-68.4176000113.2T492 R498 P499 I536 M1370 P1374 L1377 L1378 E1396T492-L495 HydrophobicContact CG2-CD2 4.11Å; T492-L495 HydrophobicContact CG2-CG 4.35Å; L495-R498 CarbonylContact C-O 3.6Å; L495-R498 CarbonylContact O-C 3.6Å; L495-P499 HydrophobicContact CD2-CB 4.42Å; L495-I536 HydrophobicContact CD2-CD1 4.4Å; L495-I536 HydrophobicContact CD2-CG2 3.68Å; L495-M1370 WeakPolarHBondContact CD1-O 3.31Å; L495-P1374 HydrophobicContact CD1-CB 4.06Å; L495-P1374 HydrophobicContact CD2-CB 4.08Å; L495-L1377 HydrophobicContact CD1-CB 4.38Å; L495-L1377 HydrophobicContact CD1-CD1 4.12Å; L495-L1378 HydrophobicContact CB-CD2 4.34Å; L495-L1378 WeakPolarHBondContact O-CD2 3.31Å; L495-E1396 VanDerWaalsContact N-CD 3.29Å; L495-E1396 PolarHBondContact N-OE1 2.69Å; L495-E1396 PolarHBondContact N-OE2 3.43Å
496F88.3Confident84.7Confident11 Ų1120.8 Ų20.85%0.04811%0.105CC..SBendtrans-122.3135.7-169.2-48.7-53.4000112.1R494 L1377 L1378 Y1381 M1392 E1393 E1396R494-F496 VanDerWaalsContact CZ-O 3.27Å; R494-F496 PolarHBondContact NE-O 2.83Å; R494-F496 PolarHBondContact NH2-O 3.39Å; F496-L1377 HydrophobicContact CE1-CB 4.5Å; F496-L1377 WeakPolarHBondContact CE1-O 3.31Å; F496-L1377 HydrophobicContact CZ-CB 3.98Å; F496-L1377 HydrophobicContact CZ-CD2 4.04Å; F496-L1378 HydrophobicContact CD1-CD2 4.21Å; F496-L1378 HydrophobicContact CE1-CD2 4.12Å; F496-Y1381 HydrophobicContact CB-CD2 3.86Å; F496-Y1381 HydrophobicContact CB-CE2 3.76Å; F496-Y1381 HydrophobicContact CD1-CD1 4.19Å; F496-Y1381 AromaticContact CD1-CD2 3.39Å; F496-Y1381 HydrophobicContact CD1-CD2 3.39Å; F496-Y1381 HydrophobicContact CD1-CE2 4.13Å; F496-Y1381 AromaticContact CD1-CG 3.46Å; F496-Y1381 HydrophobicContact CD1-CG 3.46Å; F496-Y1381 VanDerWaalsContact CD1-CG 3.46Å; F496-Y1381 HydrophobicContact CD2-CD2 4.35Å; F496-Y1381 AromaticContact CE1-CD2 3.95Å; F496-Y1381 HydrophobicContact CE1-CD2 3.95Å; F496-Y1381 AromaticContact CE1-CG 3.77Å; F496-Y1381 HydrophobicContact CE1-CG 3.77Å; F496-Y1381 AromaticContact CG-CD2 3.61Å; F496-Y1381 HydrophobicContact CG-CD2 3.61Å; F496-Y1381 HydrophobicContact CG-CE2 4.07Å; F496-Y1381 HydrophobicContact CG-CG 4.18Å; F496-M1392 HydrophobicContact CD2-CB 3.73Å; F496-M1392 HydrophobicContact CE2-CB 3.91Å; F496-M1392 HydrophobicContact CE2-CG 4.41Å; F496-M1392 HydrophobicContact CE2-SD 4.11Å; F496-M1392 HydrophobicContact CZ-SD 4.26Å; F496-E1393 HydrophobicContact CB-CG 4.2Å; F496-E1396 HydrophobicContact CD2-CG 4.39Å; F496-E1396 PolarHBondContact N-OE2 3.19Å
497P81Confident84.4Confident75 Ų7521.5 Ų21.549%0.48711%0.111SC..SBendcis-78.5-13.51.332.1-37.1000114Y1381P497-Y1381 WeakPolarHBondContact CB-OH 3.49Å
498R79.2Confident84.6Confident44 Ų4420.3 Ų20.317%0.16610%0.104CC..SBendtrans-131.1146.8172.578.1-176.1-15785.710.5109.9L495 V500 E533 H1433L495-R498 CarbonylContact C-O 3.6Å; L495-R498 CarbonylContact O-C 3.6Å; R498-V500 HydrophobicContact CG-CG2 4.1Å; R498-E533 IonicContact CZ-OE1 3.27Å; R498-E533 VanDerWaalsContact CZ-OE1 3.28Å; R498-E533 IonicContact CZ-OE2 2.93Å; R498-E533 IonicContact NH1-OE1 2.95Å; R498-E533 PolarHBondContact NH1-OE1 2.91Å; R498-E533 IonicContact NH1-OE2 3.85Å; R498-E533 PolarHBondContact NH1-OE2 3.1Å; R498-E533 IonicContact NH2-OE1 2.83Å; R498-E533 PolarHBondContact NH2-OE1 3.3Å; R498-E533 IonicContact NH2-OE2 3.12Å; R498-H1433 PolarHBondContact NH2-NE2 3.4Å; R498-H1433 VanDerWaalsContact NH2-NE2 3.16Å
499P85.1Confident85Confident30 Ų3020 Ų2020%0.19510%0.102CC..  trans-59.1138.8168.4-22.733.8000111.3R494 L495 I536 L1378R494-P499 WeakPolarHBondContact O-CA 3.46Å; L495-P499 HydrophobicContact CD2-CB 4.42Å; P499-I536 HydrophobicContact CB-CD1 3.99Å; P499-L1378 HydrophobicContact CG-CD1 4.03Å; P499-L1378 HydrophobicContact CG-CD2 4.09Å
500V87.5Confident84.9Confident4 Ų423.2 Ų23.22%0.02412%0.115CC..EExtended strand (participates in β ladder)trans-133.6131.7174.3-173.20000109.5L493 R494 R498 K1431L493-V500 HydrophobicContact CD1-CG1 4.36Å; L493-V500 PolarHBondContact N-O 2.79Å; R494-V500 HydrophobicContact CG-CB 3.93Å; R494-V500 HydrophobicContact CG-CG2 3.65Å; R494-V500 PolarHBondContact O-N 3.13Å; R498-V500 HydrophobicContact CG-CG2 4.1Å; V500-K1431 WeakPolarHBondContact CG1-O 3.37Å
501V86.4Confident84.7Confident3 Ų324.6 Ų24.62%0.01813%0.126CC..EExtended strand (participates in β ladder)trans-116.2139-177.4164.80000111I490 R491 A532 E533 I536I490-V501 HydrophobicContact CB-CG1 4.17Å; I490-V501 HydrophobicContact CD1-CG1 4.34Å; I490-V501 HydrophobicContact CG1-CG1 3.89Å; I490-V501 HydrophobicContact CG2-CG1 3.66Å; I490-V501 HydrophobicContact CG2-CG2 4.15Å; R491-V501 WeakPolarHBondContact O-CA 3.22Å; V501-A532 HydrophobicContact CB-CB 4.47Å; V501-A532 HydrophobicContact CG1-CB 3.8Å; V501-E533 HydrophobicContact CB-CG 4.16Å; V501-E533 HydrophobicContact CG2-CG 4.47Å; V501-I536 HydrophobicContact CG2-CD1 3.35Å; V501-I536 HydrophobicContact CG2-CG1 3.79Å
502A86.7Confident84.7Confident0 Ų024.4 Ų24.40%013%0.125CC..EExtended strand (participates in β ladder)trans-98.3120.9159.600000110.2R491 L493 L1358R491-A502 PolarHBondContact N-O 2.66Å; R491-A502 PolarHBondContact O-N 3.12Å; L493-A502 HydrophobicContact CD1-CB 4.23Å; L493-A502 HydrophobicContact CG-CB 4.34Å; A502-L1358 HydrophobicContact CB-CD1 3.55Å; A502-L1358 HydrophobicContact CB-CD2 3.35Å; A502-L1358 HydrophobicContact CB-CG 4.06Å
503F85.2Confident84.4Confident29 Ų2927.6 Ų27.613%0.12715%0.146CC..EExtended strand (participates in β ladder)trans-90.7121.8170.6-177.9-122.4000110.7F486 H489 I490 Y505 F508 A523F486-F503 HydrophobicContact CB-CE2 4.33Å; H489-F503 HydrophobicContact CB-CD2 4.38Å; H489-F503 HydrophobicContact CB-CE2 4.07Å; I490-F503 HydrophobicContact CG1-CD2 4.11Å; F503-Y505 VanDerWaalsContact C-N 3.29Å; F503-Y505 HydrophobicContact CE1-CD2 4.43Å; F503-Y505 PolarHBondContact O-N 2.93Å; F503-F508 HydrophobicContact CE1-CB 4.43Å; F503-F508 HydrophobicContact CE1-CD1 4.34Å; F503-F508 HydrophobicContact CE1-CG 4.41Å; F503-F508 HydrophobicContact CE2-CB 3.96Å; F503-F508 HydrophobicContact CE2-CD2 4.08Å; F503-F508 AromaticContact CE2-CG 3.97Å; F503-F508 HydrophobicContact CE2-CG 3.97Å; F503-F508 HydrophobicContact CZ-CB 3.62Å; F503-F508 AromaticContact CZ-CD1 3.66Å; F503-F508 HydrophobicContact CZ-CD1 3.66Å; F503-F508 AromaticContact CZ-CD2 3.87Å; F503-F508 HydrophobicContact CZ-CD2 3.87Å; F503-F508 HydrophobicContact CZ-CE1 4.25Å; F503-F508 HydrophobicContact CZ-CE2 4.43Å; F503-F508 AromaticContact CZ-CG 3.42Å; F503-F508 HydrophobicContact CZ-CG 3.42Å; F503-F508 VanDerWaalsContact CZ-CG 3.42Å; F503-A523 HydrophobicContact CE1-CB 4.17Å; F503-A523 WeakPolarHBondContact CE1-O 3.08Å
504Q83.2Confident84.1Confident9 Ų933.3 Ų33.34%0.04217%0.171CC..  trans-82.869.6176.8-67.6-180-25.400110.2H489 R491 E506 S507 F508 L1358 D1359H489-Q504 HydrophobicContact CB-CB 4.44Å; H489-Q504 PolarHBondContact O-N 2.68Å; R491-Q504 VanDerWaalsContact CZ-OE1 3.23Å; Q504-E506 VanDerWaalsContact C-N 3.27Å; Q504-E506 PolarHBondContact O-N 3.04Å; Q504-E506 VanDerWaalsContact O-N 3.14Å; Q504-S507 WeakPolarHBondContact O-CB 3.42Å; Q504-S507 PolarHBondContact O-N 3.05Å; Q504-F508 PolarHBondContact O-N 2.89Å; Q504-L1358 HydrophobicContact CG-CD1 4.28Å; Q504-D1359 PolarHBondContact NE2-OD1 2.96Å
505Y86.4Confident83.5Confident46 Ų4636.9 Ų36.918%0.1820%0.195CC..Hα-helixtrans-45.3-46.1-177.5167.2-88.9000113.7F503 F508 M509 S520 A523 K524F503-Y505 VanDerWaalsContact C-N 3.29Å; F503-Y505 HydrophobicContact CE1-CD2 4.43Å; F503-Y505 PolarHBondContact O-N 2.93Å; Y505-F508 WeakPolarHBondContact O-CB 3.29Å; Y505-F508 PolarHBondContact O-N 2.85Å; Y505-M509 HydrophobicContact CD1-CG 4.47Å; Y505-M509 HydrophobicContact CD2-CG 4.11Å; Y505-M509 HydrophobicContact CE1-CG 3.94Å; Y505-M509 HydrophobicContact CE2-CG 3.54Å; Y505-M509 HydrophobicContact CE2-SD 4.11Å; Y505-M509 VanDerWaalsContact CZ-CG 3.41Å; Y505-M509 WeakPolarHBondContact O-CG 3.36Å; Y505-M509 PolarHBondContact O-N 3.4Å; Y505-S520 PolarHBondContact OH-O 3.19Å; Y505-A523 HydrophobicContact CD2-CB 3.98Å; Y505-A523 HydrophobicContact CE2-CB 3.97Å; Y505-K524 HydrophobicContact CD2-CG 3.79Å; Y505-K524 HydrophobicContact CE2-CD 4.1Å; Y505-K524 HydrophobicContact CE2-CG 3.58Å; Y505-K524 WeakPolarHBondContact OH-CE 3.23Å; Y505-K524 PolarHBondContact OH-NZ 3.31Å
506E81.9Confident83.3Confident88 Ų8838.5 Ų38.541%0.41121%0.206SC..Hα-helixtrans-63.7-43.6179.8-68.7-60.5141.600112.2Q504 F508 K510Q504-E506 VanDerWaalsContact C-N 3.27Å; Q504-E506 PolarHBondContact O-N 3.04Å; Q504-E506 VanDerWaalsContact O-N 3.14Å; E506-F508 VanDerWaalsContact C-N 3.31Å; E506-F508 PolarHBondContact O-N 2.84Å; E506-K510 WeakPolarHBondContact O-CB 3.4Å; E506-K510 VanDerWaalsContact O-CD 3.23Å; E506-K510 WeakPolarHBondContact O-CD 3.39Å; E506-K510 WeakPolarHBondContact O-CG 3.41Å; E506-K510 PolarHBondContact O-N 2.88Å; E506-K510 VanDerWaalsContact O-N 3.12Å
507S78.9Confident83.3Confident22 Ų2243.1 Ų43.115%0.15423%0.23CC..Hα-helixtrans-61.8-40.4175.3179.90000111.4H489 Q504 S511H489-S507 PolarHBondContact CE1-O 3.09Å; H489-S507 PolarHBondContact ND1-O 2.89Å; H489-S507 PolarHBondContact ND1-OG 2.95Å; Q504-S507 WeakPolarHBondContact O-CB 3.42Å; Q504-S507 PolarHBondContact O-N 3.05Å; S507-S511 PolarHBondContact O-N 3.41Å
508F85Confident83.8Confident0 Ų039.5 Ų39.50%021%0.207CC..Hα-helixtrans-65.8-48.6178.5172.7-98.5000112.8I482 L483 F486 H489 F503 Q504 Y505 E506 K510 S511 R512 T519 A523I482-F508 VanDerWaalsContact O-CZ 3.29Å; I482-F508 WeakPolarHBondContact O-CZ 3.34Å; L483-F508 HydrophobicContact CD2-CZ 4.01Å; F486-F508 HydrophobicContact CB-CD2 3.96Å; F486-F508 HydrophobicContact CB-CE2 3.55Å; F486-F508 HydrophobicContact CB-CZ 4.45Å; H489-F508 HydrophobicContact CB-CB 3.86Å; H489-F508 AromaticContact CD2-CD2 3.72Å; H489-F508 WeakPolarHBondContact ND1-CA 3.15Å; H489-F508 PolarHBondContact ND1-N 3.32Å; F503-F508 HydrophobicContact CE1-CB 4.43Å; F503-F508 HydrophobicContact CE1-CD1 4.34Å; F503-F508 HydrophobicContact CE1-CG 4.41Å; F503-F508 HydrophobicContact CE2-CB 3.96Å; F503-F508 HydrophobicContact CE2-CD2 4.08Å; F503-F508 AromaticContact CE2-CG 3.97Å; F503-F508 HydrophobicContact CE2-CG 3.97Å; F503-F508 HydrophobicContact CZ-CB 3.62Å; F503-F508 AromaticContact CZ-CD1 3.66Å; F503-F508 HydrophobicContact CZ-CD1 3.66Å; F503-F508 AromaticContact CZ-CD2 3.87Å; F503-F508 HydrophobicContact CZ-CD2 3.87Å; F503-F508 HydrophobicContact CZ-CE1 4.25Å; F503-F508 HydrophobicContact CZ-CE2 4.43Å; F503-F508 AromaticContact CZ-CG 3.42Å; F503-F508 HydrophobicContact CZ-CG 3.42Å; F503-F508 VanDerWaalsContact CZ-CG 3.42Å; Q504-F508 PolarHBondContact O-N 2.89Å; Y505-F508 WeakPolarHBondContact O-CB 3.29Å; Y505-F508 PolarHBondContact O-N 2.85Å; E506-F508 VanDerWaalsContact C-N 3.31Å; E506-F508 PolarHBondContact O-N 2.84Å; F508-K510 VanDerWaalsContact C-N 3.34Å; F508-K510 PolarHBondContact O-N 3.14Å; F508-S511 WeakPolarHBondContact O-CB 3.4Å; F508-S511 PolarHBondContact O-N 3.08Å; F508-S511 PolarHBondContact O-OG 3.36Å; F508-R512 PolarHBondContact O-NE 3.32Å; F508-T519 HydrophobicContact CE1-CG2 4.12Å; F508-A523 HydrophobicContact CD1-CB 3.92Å; F508-A523 HydrophobicContact CE1-CB 3.65Å
509M86.5Confident84.4Confident19 Ų1937.5 Ų37.59%0.09420%0.199CC..Hα-helixtrans-65.6-37.3-179.2-70.9-53.6-57.100112.3Y505 S511 R512 P515 T519 A523Y505-M509 HydrophobicContact CD1-CG 4.47Å; Y505-M509 HydrophobicContact CD2-CG 4.11Å; Y505-M509 HydrophobicContact CE1-CG 3.94Å; Y505-M509 HydrophobicContact CE2-CG 3.54Å; Y505-M509 HydrophobicContact CE2-SD 4.11Å; Y505-M509 VanDerWaalsContact CZ-CG 3.41Å; Y505-M509 WeakPolarHBondContact O-CG 3.36Å; Y505-M509 PolarHBondContact O-N 3.4Å; M509-S511 PolarHBondContact O-N 2.87Å; M509-R512 HydrophobicContact CE-CG 4.42Å; M509-R512 PolarHBondContact O-N 3.35Å; M509-R512 HydrophobicContact SD-CG 4.44Å; M509-P515 HydrophobicContact CE-CB 4.21Å; M509-T519 HydrophobicContact CE-CG2 4.39Å; M509-T519 HydrophobicContact SD-CG2 4.18Å; M509-A523 HydrophobicContact SD-CB 4.19Å
510K80.3Confident84.7Confident70 Ų7037.1 Ų37.130%0.30420%0.197SC..Hα-helixtrans-60.7-24.2171.7-70.5164.9-175.1-178.10113.3E506 F508 P955 V958E506-K510 WeakPolarHBondContact O-CB 3.4Å; E506-K510 VanDerWaalsContact O-CD 3.23Å; E506-K510 WeakPolarHBondContact O-CD 3.39Å; E506-K510 WeakPolarHBondContact O-CG 3.41Å; E506-K510 PolarHBondContact O-N 2.88Å; E506-K510 VanDerWaalsContact O-N 3.12Å; F508-K510 VanDerWaalsContact C-N 3.34Å; F508-K510 PolarHBondContact O-N 3.14Å; K510-P955 WeakPolarHBondContact CB-O 3.47Å; K510-P955 HydrophobicContact CD-CB 4.38Å; K510-P955 WeakPolarHBondContact CG-O 3.39Å; K510-V958 HydrophobicContact CB-CG2 3.91Å
511S80.2Confident85Confident36 Ų3638.4 Ų38.425%0.25220%0.203SC..THydrogen-bonded Turntrans-84.7-11.1-179.7114.40000114.3S507 F508 M509 P513S507-S511 PolarHBondContact O-N 3.41Å; F508-S511 WeakPolarHBondContact O-CB 3.4Å; F508-S511 PolarHBondContact O-N 3.08Å; F508-S511 PolarHBondContact O-OG 3.36Å; M509-S511 PolarHBondContact O-N 2.87Å; S511-P513 WeakPolarHBondContact O-CD 3.46Å
512R83.6Confident85.3Confident12 Ų1238.2 Ų38.25%0.04520%0.202CC..  trans-75.5125-173.6-55.9-63.290.9-172.9-1.6109.2N480 I482 G484 F508 M509 K514 P515 T519N480-R512 WeakPolarHBondContact O-CD 3.42Å; N480-R512 PolarHBondContact O-NH1 3.07Å; I482-R512 PolarHBondContact O-NH1 3.03Å; G484-R512 PolarHBondContact O-NH1 3.23Å; G484-R512 PolarHBondContact O-NH2 2.83Å; F508-R512 PolarHBondContact O-NE 3.32Å; M509-R512 HydrophobicContact CE-CG 4.42Å; M509-R512 PolarHBondContact O-N 3.35Å; M509-R512 HydrophobicContact SD-CG 4.44Å; R512-K514 VanDerWaalsContact C-N 3.29Å; R512-K514 PolarHBondContact O-N 3.21Å; R512-P515 HydrophobicContact CB-CB 4.36Å; R512-P515 HydrophobicContact CB-CG 4.13Å; R512-P515 WeakPolarHBondContact O-CD 3.14Å; R512-T519 HydrophobicContact CG-CG2 4.43Å
513P80.3Confident85.6Confident75 Ų7538.4 Ų38.449%0.48720%0.204SC..SBendtrans-58.3-33.9-179.5-29.337.2000115.1T446 N480 N481 S511T446-P513 HydrophobicContact CG2-CB 3.84Å; T446-P513 HydrophobicContact CG2-CG 3.65Å; N480-P513 HydrophobicContact CB-CG 4.15Å; N480-P513 VanDerWaalsContact O-CD 3.24Å; N480-P513 WeakPolarHBondContact O-CD 3.26Å; N481-P513 VanDerWaalsContact OD1-CD 3.3Å; N481-P513 WeakPolarHBondContact OD1-CD 3.48Å; S511-P513 WeakPolarHBondContact O-CD 3.46Å
514K82.3Confident85.9Confident121 Ų12143.7 Ų43.753%0.52623%0.227SC..SBendtrans-137.389.4168.9-174.3-175.3178.6-172.10107.9N481 R512N481-K514 PolarHBondContact OD1-N 2.95Å; N481-K514 PolarHBondContact OD1-O 3.05Å; R512-K514 VanDerWaalsContact C-N 3.29Å; R512-K514 PolarHBondContact O-N 3.21Å
515P76.4Confident86.4Confident80 Ų8043.7 Ų43.752%0.51923%0.227SC..  trans-59.8139.6176.9-17.129.2000110.5M509 R512M509-P515 HydrophobicContact CE-CB 4.21Å; R512-P515 HydrophobicContact CB-CB 4.36Å; R512-P515 HydrophobicContact CB-CG 4.13Å; R512-P515 WeakPolarHBondContact O-CD 3.14Å
516C84.8Confident86.6Confident35 Ų3543.7 Ų43.724%0.23623%0.229CC..  trans-134.6165175.378.20000111.7F518 T519 S520C516-F518 PolarHBondContact O-N 3.32Å; C516-T519 PolarHBondContact O-N 3.42Å; C516-T519 PolarHBondContact SG-N 3.46Å; C516-T519 VanDerWaalsContact SG-N 3.38Å; C516-T519 PolarHBondContact SG-OG1 2.63Å; C516-S520 PolarHBondContact O-N 2.99Å
517L89.5Confident87Confident107 Ų10739.9 Ų39.956%0.5621%0.212SC*.Hα-helixtrans-60.9-43.5-178.7-17655.6000111.8P400 T519 S520 M521P400-L517 HydrophobicContact CB-CB 3.9Å; P400-L517 HydrophobicContact CB-CD2 4.02Å; P400-L517 HydrophobicContact CB-CG 3.85Å; P400-L517 HydrophobicContact CG-CG 4.21Å; L517-T519 PolarHBondContact O-N 2.83Å; L517-S520 PolarHBondContact O-N 3.44Å; L517-S520 PolarHBondContact O-OG 3.42Å; L517-M521 HydrophobicContact CD1-CG 4.35Å; L517-M521 HydrophobicContact CD1-SD 4.15Å; L517-M521 HydrophobicContact CG-SD 4.09Å; L517-M521 PolarHBondContact O-N 2.79Å
518F91.2Very high87.6Confident0 Ų038.9 Ų38.90%021%0.205CC..Hα-helixtrans-54.2-55175.7175.6-99000112.4M300 L303 L304 P400 E401 L402 I482 C516 S520 M521 L522M300-F518 HydrophobicContact CB-CE2 4.36Å; M300-F518 HydrophobicContact CE-CD2 3.34Å; M300-F518 HydrophobicContact CE-CE2 3.59Å; M300-F518 HydrophobicContact CE-CG 4.1Å; M300-F518 HydrophobicContact CE-CZ 4.5Å; M300-F518 HydrophobicContact CG-CE2 4.13Å; L303-F518 HydrophobicContact CD1-CZ 4.12Å; L304-F518 HydrophobicContact CD1-CD2 3.92Å; L304-F518 HydrophobicContact CD1-CE2 4.11Å; L304-F518 HydrophobicContact CD2-CD2 3.92Å; L304-F518 HydrophobicContact CD2-CE2 3.8Å; L304-F518 HydrophobicContact CG-CD2 4.15Å; L304-F518 HydrophobicContact CG-CE2 3.91Å; P400-F518 HydrophobicContact CB-CB 4.2Å; P400-F518 HydrophobicContact CG-CB 3.93Å; P400-F518 HydrophobicContact CG-CD2 4.37Å; E401-F518 WeakPolarHBondContact O-CB 3.21Å; L402-F518 HydrophobicContact CD2-CD1 4.2Å; L402-F518 HydrophobicContact CD2-CD2 4.47Å; L402-F518 HydrophobicContact CD2-CE1 3.89Å; L402-F518 HydrophobicContact CD2-CE2 4.19Å; L402-F518 HydrophobicContact CD2-CG 4.48Å; L402-F518 HydrophobicContact CD2-CZ 3.88Å; I482-F518 HydrophobicContact CD1-CD1 4.12Å; I482-F518 HydrophobicContact CD1-CE1 3.99Å; C516-F518 PolarHBondContact O-N 3.32Å; F518-S520 VanDerWaalsContact C-N 3.28Å; F518-S520 PolarHBondContact O-N 2.82Å; F518-M521 PolarHBondContact O-N 3.02Å; F518-M521 VanDerWaalsContact O-N 3.11Å; F518-L522 HydrophobicContact CE1-CB 4.47Å; F518-L522 HydrophobicContact CE1-CD2 3.74Å; F518-L522 HydrophobicContact CZ-CD2 4Å; F518-L522 WeakPolarHBondContact O-CB 3.28Å; F518-L522 PolarHBondContact O-N 2.98Å
519T91.6Very high87.7Confident1 Ų141.7 Ų41.71%0.00622%0.218CC..Hα-helixtrans-62.6-35.5179.1-57.40000111.7N481 F508 M509 R512 C516 L517 M521 A523N481-T519 WeakPolarHBondContact O-CB 3.39Å; N481-T519 VanDerWaalsContact O-CG2 3.29Å; N481-T519 WeakPolarHBondContact O-CG2 3.37Å; N481-T519 PolarHBondContact O-OG1 2.98Å; F508-T519 HydrophobicContact CE1-CG2 4.12Å; M509-T519 HydrophobicContact CE-CG2 4.39Å; M509-T519 HydrophobicContact SD-CG2 4.18Å; R512-T519 HydrophobicContact CG-CG2 4.43Å; C516-T519 PolarHBondContact O-N 3.42Å; C516-T519 PolarHBondContact SG-N 3.46Å; C516-T519 VanDerWaalsContact SG-N 3.38Å; C516-T519 PolarHBondContact SG-OG1 2.63Å; L517-T519 PolarHBondContact O-N 2.83Å; T519-M521 VanDerWaalsContact C-N 3.29Å; T519-M521 PolarHBondContact O-N 3.29Å; T519-A523 WeakPolarHBondContact O-CB 3.43Å; T519-A523 PolarHBondContact O-N 2.87Å
520S91.3Very high87.7Confident22 Ų2243.2 Ų43.215%0.15422%0.224CC..Hα-helixtrans-68.4-24.9176.982.90000114.2Y505 C516 L517 F518 K524Y505-S520 PolarHBondContact OH-O 3.19Å; C516-S520 PolarHBondContact O-N 2.99Å; L517-S520 PolarHBondContact O-N 3.44Å; L517-S520 PolarHBondContact O-OG 3.42Å; F518-S520 VanDerWaalsContact C-N 3.28Å; F518-S520 PolarHBondContact O-N 2.82Å; S520-K524 WeakPolarHBondContact O-CE 3.36Å
521M93.4Very high88.1Confident31 Ų3140.6 Ų40.615%0.15321%0.212CC..Hα-helixtrans-85.4-49173.3-71.6172.157.300110.7L304 P400 L517 F518 T519 A523 K524L304-M521 HydrophobicContact CD1-CE 3.95Å; L304-M521 HydrophobicContact CD2-CB 3.79Å; P400-M521 HydrophobicContact CG-CE 4.49Å; P400-M521 HydrophobicContact CG-SD 3.81Å; L517-M521 HydrophobicContact CD1-CG 4.35Å; L517-M521 HydrophobicContact CD1-SD 4.15Å; L517-M521 HydrophobicContact CG-SD 4.09Å; L517-M521 PolarHBondContact O-N 2.79Å; F518-M521 PolarHBondContact O-N 3.02Å; F518-M521 VanDerWaalsContact O-N 3.11Å; T519-M521 VanDerWaalsContact C-N 3.29Å; T519-M521 PolarHBondContact O-N 3.29Å; M521-A523 VanDerWaalsContact C-N 3.29Å; M521-A523 PolarHBondContact O-N 2.92Å; M521-K524 PolarHBondContact O-N 2.8Å
522L93.5Very high88.4Confident0 Ų038.9 Ų38.90%020%0.2CC..Hα-helixtrans-55.6-42.1176.6176.259.8000111.8L303 L304 L332 I482 L483 F518 K524 T525 V528L303-L522 HydrophobicContact CB-CD1 4.27Å; L303-L522 HydrophobicContact CD2-CD1 4.34Å; L303-L522 WeakPolarHBondContact O-CD1 3.48Å; L304-L522 HydrophobicContact CD2-CB 4.14Å; L332-L522 HydrophobicContact CD1-CD1 4.34Å; I482-L522 HydrophobicContact CG2-CD2 4.08Å; L483-L522 HydrophobicContact CD1-CD2 4.44Å; L483-L522 HydrophobicContact CG-CD2 4.4Å; F518-L522 HydrophobicContact CE1-CB 4.47Å; F518-L522 HydrophobicContact CE1-CD2 3.74Å; F518-L522 HydrophobicContact CZ-CD2 4Å; F518-L522 WeakPolarHBondContact O-CB 3.28Å; F518-L522 PolarHBondContact O-N 2.98Å; L522-K524 PolarHBondContact O-N 3.19Å; L522-T525 PolarHBondContact O-N 3.44Å; L522-T525 VanDerWaalsContact O-N 3.14Å; L522-T525 PolarHBondContact O-OG1 3.47Å; L522-V528 HydrophobicContact CD1-CG2 3.9Å; L522-V528 HydrophobicContact CG-CG2 4.12Å; L522-V528 VanDerWaalsContact O-CG2 3.25Å; L522-V528 WeakPolarHBondContact O-CG2 3.06Å
523A92.4Very high88.4Confident3 Ų339.5 Ų39.53%0.02520%0.204CC..THydrogen-bonded Turntrans-69.73.817900000114.7F503 Y505 F508 M509 T519 M521F503-A523 HydrophobicContact CE1-CB 4.17Å; F503-A523 WeakPolarHBondContact CE1-O 3.08Å; Y505-A523 HydrophobicContact CD2-CB 3.98Å; Y505-A523 HydrophobicContact CE2-CB 3.97Å; F508-A523 HydrophobicContact CD1-CB 3.92Å; F508-A523 HydrophobicContact CE1-CB 3.65Å; M509-A523 HydrophobicContact SD-CB 4.19Å; T519-A523 WeakPolarHBondContact O-CB 3.43Å; T519-A523 PolarHBondContact O-N 2.87Å; M521-A523 VanDerWaalsContact C-N 3.29Å; M521-A523 PolarHBondContact O-N 2.92Å
524K91.6Very high88.4Confident140 Ų14037.9 Ų37.961%0.60919%0.194SC*.THydrogen-bonded Turntrans-1153.9174.1-61.4179.4-172.9173.80113.4Y505 S520 M521 L522Y505-K524 HydrophobicContact CD2-CG 3.79Å; Y505-K524 HydrophobicContact CE2-CD 4.1Å; Y505-K524 HydrophobicContact CE2-CG 3.58Å; Y505-K524 WeakPolarHBondContact OH-CE 3.23Å; Y505-K524 PolarHBondContact OH-NZ 3.31Å; S520-K524 WeakPolarHBondContact O-CE 3.36Å; M521-K524 PolarHBondContact O-N 2.8Å; L522-K524 PolarHBondContact O-N 3.19Å
525T93.3Very high88.4Confident9 Ų932.6 Ų32.66%0.05517%0.173CC..SBendtrans-83151.2-175.462.20000112.3L303 E305 L522 A527 V528 E529L303-T525 WeakPolarHBondContact O-CG2 3.37Å; E305-T525 HydrophobicContact CG-CG2 3.82Å; E305-T525 WeakPolarHBondContact OE1-CB 3.45Å; E305-T525 WeakPolarHBondContact OE2-CA 3.29Å; E305-T525 WeakPolarHBondContact OE2-CB 3.36Å; L522-T525 PolarHBondContact O-N 3.44Å; L522-T525 VanDerWaalsContact O-N 3.14Å; L522-T525 PolarHBondContact O-OG1 3.47Å; T525-A527 PolarHBondContact O-N 2.89Å; T525-V528 PolarHBondContact O-N 3.05Å; T525-V528 PolarHBondContact OG1-N 3.05Å; T525-E529 PolarHBondContact O-N 2.88Å; T525-E529 VanDerWaalsContact O-N 3.08Å
526Q90.2Very high88.3Confident46 Ų4629.6 Ų29.622%0.21515%0.152CC..Hα-helixtrans-59.7-33174.6-161.16471.300111.3E305 M335 F336 V528 E529 Y530 G1214E305-Q526 WeakPolarHBondContact OE1-CA 3.42Å; E305-Q526 VanDerWaalsContact OE1-CB 3.27Å; E305-Q526 WeakPolarHBondContact OE1-CB 3.49Å; E305-Q526 PolarHBondContact OE1-N 3.08Å; E305-Q526 PolarHBondContact OE2-N 3.13Å; M335-Q526 HydrophobicContact CB-CB 4.49Å; M335-Q526 HydrophobicContact CB-CG 4.22Å; M335-Q526 HydrophobicContact CG-CB 4.38Å; M335-Q526 HydrophobicContact CG-CG 4.03Å; F336-Q526 HydrophobicContact CE2-CB 4.49Å; F336-Q526 HydrophobicContact CZ-CB 4.11Å; Q526-V528 VanDerWaalsContact C-N 3.33Å; Q526-V528 PolarHBondContact O-N 2.82Å; Q526-E529 PolarHBondContact NE2-OE2 2.82Å; Q526-E529 PolarHBondContact O-N 2.93Å; Q526-Y530 WeakPolarHBondContact O-CB 3.36Å; Q526-Y530 PolarHBondContact O-N 3.04Å; Q526-G1214 PolarHBondContact OE1-O 2.8Å
527A91Very high87.5Confident8 Ų829.2 Ų29.27%0.06615%0.149CC..Hα-helixtrans-58.7-39.2172.800000113.2E305 T525 F531E305-A527 PolarHBondContact OE1-N 3.48Å; E305-A527 VanDerWaalsContact OE1-N 3.15Å; T525-A527 PolarHBondContact O-N 2.89Å; A527-F531 VanDerWaalsContact O-CB 3.3Å; A527-F531 WeakPolarHBondContact O-CB 3.42Å; A527-F531 PolarHBondContact O-N 3.31Å
528V92.1Very high86.2Confident1 Ų125.1 Ų25.11%0.00613%0.131CC..Hα-helixtrans-77.9-35.1176.6173.20000111.9L332 L483 L522 T525 Q526 F531 A532L332-V528 HydrophobicContact CD2-CG2 4.34Å; L483-V528 HydrophobicContact CD1-CG2 4.01Å; L483-V528 HydrophobicContact CD2-CG1 4.17Å; L483-V528 HydrophobicContact CD2-CG2 4.07Å; L522-V528 HydrophobicContact CD1-CG2 3.9Å; L522-V528 HydrophobicContact CG-CG2 4.12Å; L522-V528 VanDerWaalsContact O-CG2 3.25Å; L522-V528 WeakPolarHBondContact O-CG2 3.06Å; T525-V528 PolarHBondContact O-N 3.05Å; T525-V528 PolarHBondContact OG1-N 3.05Å; Q526-V528 VanDerWaalsContact C-N 3.33Å; Q526-V528 PolarHBondContact O-N 2.82Å; V528-F531 PolarHBondContact O-N 2.66Å; V528-A532 WeakPolarHBondContact O-CB 3.45Å; V528-A532 PolarHBondContact O-N 3.12Å
529E86.2Confident84.9Confident59 Ų5930.2 Ų30.228%0.27616%0.157SC..Hα-helixtrans-65.2-42.4173.6-171.8170.7-125.600111.7T525 Q526 A532 E533T525-E529 PolarHBondContact O-N 2.88Å; T525-E529 VanDerWaalsContact O-N 3.08Å; Q526-E529 PolarHBondContact NE2-OE2 2.82Å; Q526-E529 PolarHBondContact O-N 2.93Å; E529-A532 WeakPolarHBondContact O-CA 3.23Å; E529-A532 VanDerWaalsContact O-CB 3.28Å; E529-A532 WeakPolarHBondContact O-CB 3.18Å; E529-A532 PolarHBondContact O-N 3.16Å; E529-A532 VanDerWaalsContact O-N 3.16Å; E529-E533 PolarHBondContact O-N 3.16Å
530Y86.7Confident84.1Confident51 Ų5132.1 Ų32.120%0.217%0.168CC..Hα-helixtrans-67.5-36.9174.2177.3-97.5000112.6Q333 M335 Q526 A532 E533 S534 Y1218Q333-Y530 HydrophobicContact CB-CD1 3.94Å; Q333-Y530 HydrophobicContact CB-CE1 3.7Å; Q333-Y530 HydrophobicContact CG-CE1 4.29Å; Q333-Y530 PolarHBondContact OE1-OH 2.95Å; M335-Y530 HydrophobicContact CE-CD1 3.39Å; M335-Y530 HydrophobicContact CE-CD2 3.99Å; M335-Y530 HydrophobicContact CE-CE1 3.68Å; M335-Y530 HydrophobicContact CE-CE2 4.24Å; M335-Y530 HydrophobicContact CE-CG 3.52Å; M335-Y530 HydrophobicContact SD-CD1 4.32Å; M335-Y530 HydrophobicContact SD-CD2 4.04Å; M335-Y530 HydrophobicContact SD-CG 3.83Å; Q526-Y530 WeakPolarHBondContact O-CB 3.36Å; Q526-Y530 PolarHBondContact O-N 3.04Å; Y530-A532 PolarHBondContact O-N 3.25Å; Y530-E533 PolarHBondContact O-N 2.71Å; Y530-S534 WeakPolarHBondContact CE1-OG 3.42Å; Y530-S534 VanDerWaalsContact O-CB 3.26Å; Y530-S534 WeakPolarHBondContact O-CB 3.44Å; Y530-S534 PolarHBondContact O-N 3.3Å; Y530-S534 PolarHBondContact O-OG 2.88Å; Y530-Y1218 AromaticContact CD2-CE2 3.81Å; Y530-Y1218 HydrophobicContact CD2-CE2 3.81Å; Y530-Y1218 AromaticContact CD2-CZ 3.92Å; Y530-Y1218 HydrophobicContact CE2-CE2 4.17Å; Y530-Y1218 AromaticContact CE2-CZ 3.8Å; Y530-Y1218 WeakPolarHBondContact CE2-OH 3.4Å
531F89.4Confident83.8Confident16 Ų1634.5 Ų34.57%0.0718%0.177CC..Hα-helixtrans-64.6-32.5171.8-176.8-133.3000111.7P331 L332 F486 A527 V528 S535 Y543P331-F531 HydrophobicContact CB-CD2 4.47Å; P331-F531 HydrophobicContact CB-CE2 3.73Å; P331-F531 HydrophobicContact CB-CZ 4.1Å; P331-F531 HydrophobicContact CG-CE1 4.26Å; P331-F531 HydrophobicContact CG-CE2 3.67Å; P331-F531 HydrophobicContact CG-CZ 3.52Å; L332-F531 HydrophobicContact CD2-CB 3.58Å; L332-F531 HydrophobicContact CD2-CD1 3.42Å; L332-F531 VanDerWaalsContact CD2-CD1 3.42Å; L332-F531 HydrophobicContact CD2-CD2 4.35Å; L332-F531 HydrophobicContact CD2-CE1 4.13Å; L332-F531 HydrophobicContact CD2-CG 3.55Å; F486-F531 HydrophobicContact CD1-CE1 4.19Å; F486-F531 HydrophobicContact CD2-CD1 4.45Å; F486-F531 AromaticContact CE1-CD1 3.96Å; F486-F531 HydrophobicContact CE1-CD1 3.96Å; F486-F531 AromaticContact CE1-CE1 3.33Å; F486-F531 HydrophobicContact CE1-CE1 3.33Å; F486-F531 AromaticContact CE1-CZ 3.83Å; F486-F531 HydrophobicContact CE1-CZ 3.83Å; F486-F531 AromaticContact CE2-CD1 3.6Å; F486-F531 HydrophobicContact CE2-CD1 3.6Å; F486-F531 AromaticContact CE2-CE1 3.88Å; F486-F531 HydrophobicContact CE2-CE1 3.88Å; F486-F531 HydrophobicContact CE2-CG 4.28Å; F486-F531 AromaticContact CZ-CD1 3.32Å; F486-F531 HydrophobicContact CZ-CD1 3.32Å; F486-F531 HydrophobicContact CZ-CD2 4.48Å; F486-F531 AromaticContact CZ-CE1 3.15Å; F486-F531 HydrophobicContact CZ-CE1 3.15Å; F486-F531 HydrophobicContact CZ-CE2 4.32Å; F486-F531 HydrophobicContact CZ-CG 4.02Å; F486-F531 AromaticContact CZ-CZ 3.7Å; F486-F531 HydrophobicContact CZ-CZ 3.7Å; A527-F531 VanDerWaalsContact O-CB 3.3Å; A527-F531 WeakPolarHBondContact O-CB 3.42Å; A527-F531 PolarHBondContact O-N 3.31Å; V528-F531 PolarHBondContact O-N 2.66Å; F531-S535 WeakPolarHBondContact O-CB 3.38Å; F531-S535 PolarHBondContact O-N 2.85Å; F531-Y543 HydrophobicContact CE2-CE1 4.36Å; F531-Y543 HydrophobicContact CZ-CE1 4.08Å; F531-Y543 HydrophobicContact CZ-CE2 4.34Å; F531-Y543 AromaticContact CZ-CZ 3.81Å
532A86Confident83.5Confident0 Ų033 Ų330%017%0.169CC..Hα-helixtrans-65.9-48.7172.900000112.2F486 I490 V501 V528 E529 Y530 S535F486-A532 HydrophobicContact CE2-CB 4.37Å; I490-A532 HydrophobicContact CD1-CB 3.45Å; I490-A532 VanDerWaalsContact CD1-CB 3.45Å; I490-A532 HydrophobicContact CG1-CB 4.05Å; V501-A532 HydrophobicContact CB-CB 4.47Å; V501-A532 HydrophobicContact CG1-CB 3.8Å; V528-A532 WeakPolarHBondContact O-CB 3.45Å; V528-A532 PolarHBondContact O-N 3.12Å; E529-A532 WeakPolarHBondContact O-CA 3.23Å; E529-A532 VanDerWaalsContact O-CB 3.28Å; E529-A532 WeakPolarHBondContact O-CB 3.18Å; E529-A532 PolarHBondContact O-N 3.16Å; E529-A532 VanDerWaalsContact O-N 3.16Å; Y530-A532 PolarHBondContact O-N 3.25Å; A532-S535 WeakPolarHBondContact O-CB 3.49Å; A532-S535 PolarHBondContact O-N 2.88Å; A532-S535 PolarHBondContact O-OG 3.19Å
533E82.9Confident83.3Confident25 Ų2534.8 Ų34.812%0.11718%0.176CC..Hα-helixtrans-57.8-50.2172.1-69.9-171.7160.400111.5R498 V501 E529 Y530 S535 I536R498-E533 IonicContact CZ-OE1 3.27Å; R498-E533 VanDerWaalsContact CZ-OE1 3.28Å; R498-E533 IonicContact CZ-OE2 2.93Å; R498-E533 IonicContact NH1-OE1 2.95Å; R498-E533 PolarHBondContact NH1-OE1 2.91Å; R498-E533 IonicContact NH1-OE2 3.85Å; R498-E533 PolarHBondContact NH1-OE2 3.1Å; R498-E533 IonicContact NH2-OE1 2.83Å; R498-E533 PolarHBondContact NH2-OE1 3.3Å; R498-E533 IonicContact NH2-OE2 3.12Å; V501-E533 HydrophobicContact CB-CG 4.16Å; V501-E533 HydrophobicContact CG2-CG 4.47Å; E529-E533 PolarHBondContact O-N 3.16Å; Y530-E533 PolarHBondContact O-N 2.71Å; E533-S535 PolarHBondContact O-N 2.83Å; E533-S535 VanDerWaalsContact O-N 3.15Å; E533-I536 PolarHBondContact O-N 3.04Å; E533-I536 VanDerWaalsContact O-N 3.11Å
534S80.6Confident82.9Confident41 Ų4137.2 Ų37.229%0.28719%0.187SC..Hα-helixtrans-57.8-28176.8-61.80000113Y530 I536 C537 A538Y530-S534 WeakPolarHBondContact CE1-OG 3.42Å; Y530-S534 VanDerWaalsContact O-CB 3.26Å; Y530-S534 WeakPolarHBondContact O-CB 3.44Å; Y530-S534 PolarHBondContact O-N 3.3Å; Y530-S534 PolarHBondContact O-OG 2.88Å; S534-I536 PolarHBondContact O-N 3.31Å; S534-C537 CarbonylContact O-C 3.59Å; S534-C537 PolarHBondContact O-N 3.47Å; S534-A538 PolarHBondContact O-N 3.46Å
535S81.4Confident82.7Confident10 Ų1034.2 Ų34.27%0.0717%0.172CC..THydrogen-bonded Turntrans-66-21.9178.786.30000113.6F531 A532 E533 R967F531-S535 WeakPolarHBondContact O-CB 3.38Å; F531-S535 PolarHBondContact O-N 2.85Å; A532-S535 WeakPolarHBondContact O-CB 3.49Å; A532-S535 PolarHBondContact O-N 2.88Å; A532-S535 PolarHBondContact O-OG 3.19Å; E533-S535 PolarHBondContact O-N 2.83Å; E533-S535 VanDerWaalsContact O-N 3.15Å; S535-R967 PolarHBondContact O-NH1 2.81Å; S535-R967 PolarHBondContact O-NH2 2.97Å
536I75.2Confident82.4Confident16 Ų1633.8 Ų33.88%0.08217%0.169CC..THydrogen-bonded Turntrans-64.9-49176.1-71.2177.3000110.2T492 L495 P499 V501 E533 S534 P1374T492-I536 HydrophobicContact CG2-CD1 3.81Å; L495-I536 HydrophobicContact CD2-CD1 4.4Å; L495-I536 HydrophobicContact CD2-CG2 3.68Å; P499-I536 HydrophobicContact CB-CD1 3.99Å; V501-I536 HydrophobicContact CG2-CD1 3.35Å; V501-I536 HydrophobicContact CG2-CG1 3.79Å; E533-I536 PolarHBondContact O-N 3.04Å; E533-I536 VanDerWaalsContact O-N 3.11Å; S534-I536 PolarHBondContact O-N 3.31Å; I536-P1374 HydrophobicContact CG2-CB 3.81Å; I536-P1374 HydrophobicContact CG2-CG 3.92Å
537C67.6Low82Confident27 Ų2733.6 Ų33.618%0.18217%0.172CC..THydrogen-bonded Turntrans-122.774.2-176-171.50000107.9S534 L539 L1378S534-C537 CarbonylContact O-C 3.59Å; S534-C537 PolarHBondContact O-N 3.47Å; C537-L539 VanDerWaalsContact C-N 3.34Å; C537-L539 PolarHBondContact O-N 2.73Å; C537-L1378 HydrophobicContact CB-CD1 3.8Å
538A62.2Low81.6Confident21 Ų2137.5 Ų37.517%0.17420%0.199CC..  trans-63.996.6174.600000109.4S534 N540 Q544 K1375S534-A538 PolarHBondContact O-N 3.46Å; A538-N540 PolarHBondContact O-N 2.68Å; A538-Q544 HydrophobicContact CB-CG 4.35Å; A538-K1375 WeakPolarHBondContact O-CE 3.22Å; A538-K1375 PolarHBondContact O-NZ 3.01Å
539L64.6Low81.2Confident107 Ų10739.2 Ų39.256%0.5622%0.217SC*.  trans-76.510.1166.1-60.9176.6000111.9Q273 C537Q273-L539 WeakPolarHBondContact CB-O 3.48Å; Q273-L539 WeakPolarHBondContact CG-O 3.27Å; Q273-L539 PolarHBondContact OE1-O 3.11Å; C537-L539 VanDerWaalsContact C-N 3.34Å; C537-L539 PolarHBondContact O-N 2.73Å
540N75.3Confident81.2Confident41 Ų4138.5 Ų38.522%0.21922%0.217CC..  trans-125.983.1-173-179.2-13.5000107.8Y330 A538 A542 Y543Y330-N540 WeakPolarHBondContact CE2-ND2 3.4Å; Y330-N540 VanDerWaalsContact OH-CG 3.28Å; Y330-N540 PolarHBondContact OH-ND2 3.18Å; Y330-N540 PolarHBondContact OH-OD1 3.26Å; A538-N540 PolarHBondContact O-N 2.68Å; N540-A542 VanDerWaalsContact C-N 3.3Å; N540-Y543 WeakPolarHBondContact OD1-CB 3.48Å; N540-Y543 PolarHBondContact OD1-N 2.91Å
541E83.2Confident81.1Confident73 Ų7338.4 Ų38.434%0.34122%0.216SC..Hα-helixtrans-79.4-19.8-177.9-64.9178.3178.900110.9Q273 Q544 R545 K1375Q273-E541 PolarHBondContact O-N 3.13Å; E541-Q544 WeakPolarHBondContact O-CB 3.41Å; E541-Q544 PolarHBondContact O-N 2.92Å; E541-R545 WeakPolarHBondContact O-CB 3.38Å; E541-R545 WeakPolarHBondContact O-CG 3.49Å; E541-R545 PolarHBondContact O-N 2.74Å; E541-K1375 IonicContact OE1-NZ 3.18Å; E541-K1375 PolarHBondContact OE1-NZ 3.31Å
542A88.6Confident81Confident0 Ų039.8 Ų39.80%023%0.227CC..Hα-helixtrans-62.1-44.6170.300000112.7Q273 R275 L276 N540 Q544 R545 I546Q273-A542 PolarHBondContact O-N 3.16Å; R275-A542 VanDerWaalsContact O-CB 3.25Å; R275-A542 WeakPolarHBondContact O-CB 3.17Å; L276-A542 HydrophobicContact CD2-CB 4.43Å; N540-A542 VanDerWaalsContact C-N 3.3Å; A542-Q544 VanDerWaalsContact C-N 3.32Å; A542-Q544 PolarHBondContact O-N 3.15Å; A542-R545 WeakPolarHBondContact O-CB 3.35Å; A542-R545 PolarHBondContact O-N 2.85Å; A542-I546 WeakPolarHBondContact O-CD1 3.41Å; A542-I546 VanDerWaalsContact O-CG1 3.31Å; A542-I546 WeakPolarHBondContact O-CG1 2.99Å; A542-I546 PolarHBondContact O-N 2.85Å
543Y88.8Confident81.1Confident37 Ų3741.1 Ų41.115%0.14524%0.236CC..Hα-helixtrans-59.2-43.9171.3171.1-105.7000111.3P331 I474 F531 N540 R545 I546 C547P331-Y543 HydrophobicContact CB-CD2 3.68Å; P331-Y543 HydrophobicContact CB-CE2 4.06Å; P331-Y543 HydrophobicContact CB-CG 4.08Å; P331-Y543 HydrophobicContact CG-CD2 3.76Å; P331-Y543 HydrophobicContact CG-CE2 3.62Å; I474-Y543 HydrophobicContact CG2-CD2 3.73Å; I474-Y543 HydrophobicContact CG2-CE2 3.9Å; F531-Y543 HydrophobicContact CE2-CE1 4.36Å; F531-Y543 HydrophobicContact CZ-CE1 4.08Å; F531-Y543 HydrophobicContact CZ-CE2 4.34Å; F531-Y543 AromaticContact CZ-CZ 3.81Å; N540-Y543 WeakPolarHBondContact OD1-CB 3.48Å; N540-Y543 PolarHBondContact OD1-N 2.91Å; Y543-R545 PolarHBondContact O-N 2.8Å; Y543-I546 PolarHBondContact O-N 2.93Å; Y543-C547 WeakPolarHBondContact CE2-SG 3.48Å; Y543-C547 WeakPolarHBondContact O-CB 3.43Å; Y543-C547 PolarHBondContact O-N 3.44Å
544Q84.2Confident81.3Confident54 Ų5446 Ų4625%0.25226%0.259SS..Hα-helixtrans-63.4-40177-63.3-177.8-107.800112.6A538 E541 A542 C547 S548 D971A538-Q544 HydrophobicContact CB-CG 4.35Å; E541-Q544 WeakPolarHBondContact O-CB 3.41Å; E541-Q544 PolarHBondContact O-N 2.92Å; A542-Q544 VanDerWaalsContact C-N 3.32Å; A542-Q544 PolarHBondContact O-N 3.15Å; Q544-C547 PolarHBondContact O-N 2.69Å; Q544-S548 WeakPolarHBondContact O-CB 3.32Å; Q544-S548 PolarHBondContact O-N 2.76Å; Q544-S548 PolarHBondContact O-OG 2.98Å; Q544-D971 PolarHBondContact NE2-OD2 3.38Å
545R86.2Confident81.7Confident77 Ų7747.9 Ų47.929%0.29127%0.265SS..Hα-helixtrans-60.3-48.7173.8-83.7-176.9179.1166.89.7111.8S274 E541 A542 Y543 C547 S548 G549 V550 L555 I556S274-R545 VanDerWaalsContact CB-NH1 3.31Å; S274-R545 PolarHBondContact O-NH1 3.45Å; S274-R545 PolarHBondContact OG-NH1 3.42Å; S274-R545 PolarHBondContact OG-NH2 2.86Å; E541-R545 WeakPolarHBondContact O-CB 3.38Å; E541-R545 WeakPolarHBondContact O-CG 3.49Å; E541-R545 PolarHBondContact O-N 2.74Å; A542-R545 WeakPolarHBondContact O-CB 3.35Å; A542-R545 PolarHBondContact O-N 2.85Å; Y543-R545 PolarHBondContact O-N 2.8Å; R545-C547 PolarHBondContact O-N 3.14Å; R545-S548 PolarHBondContact O-N 3.46Å; R545-S548 VanDerWaalsContact O-N 3.09Å; R545-S548 PolarHBondContact O-OG 3.08Å; R545-G549 PolarHBondContact O-N 3.02Å; R545-V550 HydrophobicContact CB-CB 4.03Å; R545-V550 HydrophobicContact CB-CG1 4.47Å; R545-V550 HydrophobicContact CB-CG2 4.47Å; R545-V550 WeakPolarHBondContact O-CB 3.46Å; R545-V550 PolarHBondContact O-N 3.28Å; R545-L555 PolarHBondContact NH1-O 2.81Å; R545-I556 HydrophobicContact CB-CG2 4.14Å
546I87.7Confident82.1Confident0 Ų047.4 Ų47.40%026%0.262CS..Hα-helixtrans-64.3-43.9179.4-66.8162.7000110.3L276 V471 I474 L475 A542 Y543 S548 G549 Y551 I556L276-I546 HydrophobicContact CD2-CD1 3.98Å; V471-I546 HydrophobicContact CG1-CG2 4.02Å; V471-I546 HydrophobicContact CG2-CD1 4.11Å; V471-I546 HydrophobicContact CG2-CG1 4.48Å; I474-I546 HydrophobicContact CB-CG2 4.24Å; I474-I546 HydrophobicContact CD1-CD1 3.54Å; I474-I546 HydrophobicContact CG2-CB 4.3Å; I474-I546 HydrophobicContact CG2-CG2 3.64Å; L475-I546 HydrophobicContact CD2-CG2 4.41Å; A542-I546 WeakPolarHBondContact O-CD1 3.41Å; A542-I546 VanDerWaalsContact O-CG1 3.31Å; A542-I546 WeakPolarHBondContact O-CG1 2.99Å; A542-I546 PolarHBondContact O-N 2.85Å; Y543-I546 PolarHBondContact O-N 2.93Å; I546-S548 PolarHBondContact O-N 2.79Å; I546-G549 PolarHBondContact O-N 3.25Å; I546-G549 VanDerWaalsContact O-N 3.07Å; I546-Y551 HydrophobicContact CG2-CD1 4.45Å; I546-Y551 HydrophobicContact CG2-CE1 4.1Å; I546-Y551 WeakPolarHBondContact O-CE1 3.24Å; I546-I556 HydrophobicContact CD1-CD1 3.86Å; I546-I556 HydrophobicContact CG1-CD1 3.74Å; I546-I556 HydrophobicContact CG1-CG2 4.18Å
547C82.8Confident82.9Confident41 Ų4146.7 Ų46.728%0.27726%0.258SS..Hα-helixtrans-67.5-14.3174.1-750000114.9N478 Y543 Q544 R545N478-C547 PolarHBondContact ND2-SG 3Å; Y543-C547 WeakPolarHBondContact CE2-SG 3.48Å; Y543-C547 WeakPolarHBondContact O-CB 3.43Å; Y543-C547 PolarHBondContact O-N 3.44Å; Q544-C547 PolarHBondContact O-N 2.69Å; R545-C547 PolarHBondContact O-N 3.14Å
548S81.5Confident84.1Confident91 Ų9145.4 Ų45.464%0.63625%0.249SC*.THydrogen-bonded Turntrans-95.90.7171.469.80000113.8Q544 R545 I546Q544-S548 WeakPolarHBondContact O-CB 3.32Å; Q544-S548 PolarHBondContact O-N 2.76Å; Q544-S548 PolarHBondContact O-OG 2.98Å; R545-S548 PolarHBondContact O-N 3.46Å; R545-S548 VanDerWaalsContact O-N 3.09Å; R545-S548 PolarHBondContact O-OG 3.08Å; I546-S548 PolarHBondContact O-N 2.79Å
549G83.7Confident85.5Confident36 Ų3645.2 Ų45.237%0.37124%0.244SC..THydrogen-bonded Turntrans94.913.2177.400000115.1R545 I546 Y551R545-G549 PolarHBondContact O-N 3.02Å; I546-G549 PolarHBondContact O-N 3.25Å; I546-G549 VanDerWaalsContact O-N 3.07Å; G549-Y551 PolarHBondContact O-N 3.01Å
550V85.6Confident86.7Confident45 Ų4542.5 Ų42.527%0.27323%0.23SC..  trans-84.9108.4176.1-178.50000109.8R545 L555 I556R545-V550 HydrophobicContact CB-CB 4.03Å; R545-V550 HydrophobicContact CB-CG1 4.47Å; R545-V550 HydrophobicContact CB-CG2 4.47Å; R545-V550 WeakPolarHBondContact O-CB 3.46Å; R545-V550 PolarHBondContact O-N 3.28Å; V550-L555 HydrophobicContact CG1-CB 4.16Å; V550-L555 HydrophobicContact CG1-CD1 3.9Å; V550-I556 HydrophobicContact CG1-CG2 4.31Å
551Y86.3Confident87.3Confident49 Ų4946.1 Ų46.119%0.19224%0.242CC..  trans-121.820-175.9-49.6-48.3000113.9F453 Y458 V471 L475 I546 G549F453-Y551 HydrophobicContact CB-CE2 4.38Å; F453-Y551 HydrophobicContact CD2-CD1 4.11Å; F453-Y551 HydrophobicContact CD2-CD2 4.1Å; F453-Y551 HydrophobicContact CD2-CE1 4.4Å; F453-Y551 HydrophobicContact CD2-CE2 4.38Å; F453-Y551 AromaticContact CD2-CG 3.96Å; F453-Y551 HydrophobicContact CD2-CG 3.96Å; F453-Y551 HydrophobicContact CE2-CG 4.47Å; Y458-Y551 PolarHBondContact OH-O 3.18Å; V471-Y551 HydrophobicContact CG1-CD1 4.05Å; V471-Y551 HydrophobicContact CG1-CE1 4.31Å; L475-Y551 HydrophobicContact CD1-CE1 4.29Å; L475-Y551 HydrophobicContact CD2-CE1 4.21Å; I546-Y551 HydrophobicContact CG2-CD1 4.45Å; I546-Y551 HydrophobicContact CG2-CE1 4.1Å; I546-Y551 WeakPolarHBondContact O-CE1 3.24Å; G549-Y551 PolarHBondContact O-N 3.01Å
552S85.8Confident87.6Confident44 Ų4444.2 Ų44.231%0.30823%0.232SC..  trans-81124.4173.9177.90000110.7E554 L555 I556S552-E554 PolarHBondContact O-N 3.1Å; S552-E554 PolarHBondContact OG-N 3.4Å; S552-L555 PolarHBondContact O-N 3.45Å; S552-I556 WeakPolarHBondContact O-CG1 3.16Å; S552-I556 PolarHBondContact O-N 2.92Å
553T88Confident87.7Confident28 Ų2844.5 Ų44.517%0.17223%0.233CC..Hα-helixtrans-55.2-33.5174.345.30000112.5Y458 V467 L555 G557 W562Y458-T553 HydrophobicContact CD1-CG2 3.68Å; Y458-T553 HydrophobicContact CE1-CG2 3.43Å; Y458-T553 VanDerWaalsContact CE1-CG2 3.43Å; V467-T553 HydrophobicContact CB-CG2 4.46Å; V467-T553 HydrophobicContact CG1-CG2 4.36Å; T553-L555 PolarHBondContact O-N 3.16Å; T553-G557 WeakPolarHBondContact O-CA 3.28Å; T553-G557 PolarHBondContact O-N 2.91Å; T553-W562 HydrophobicContact CG2-CH2 4.32Å; T553-W562 HydrophobicContact CG2-CZ2 3.89Å
554E87.6Confident87.7Confident128 Ų12847.8 Ų47.860%0.59825%0.248SC*.Hα-helixtrans-61.5-25.2173.9-58.717815300113.5R275 S552R275-E554 VanDerWaalsContact CZ-O 3.24Å; R275-E554 PolarHBondContact NH1-O 3.44Å; R275-E554 PolarHBondContact NH2-O 2.9Å; S552-E554 PolarHBondContact O-N 3.1Å; S552-E554 PolarHBondContact OG-N 3.4Å
555L88.6Confident87.8Confident81 Ų8152.7 Ų52.742%0.42428%0.276SS..Hα-helixtrans-106.3-26.6-175.1-62.9179.8000114.5R545 V550 S552 T553R545-L555 PolarHBondContact NH1-O 2.81Å; V550-L555 HydrophobicContact CG1-CB 4.16Å; V550-L555 HydrophobicContact CG1-CD1 3.9Å; S552-L555 PolarHBondContact O-N 3.45Å; T553-L555 PolarHBondContact O-N 3.16Å
556I91.4Very high87.8Confident0 Ų055.4 Ų55.40%029%0.292CS..Hα-helixtrans-116.4-15.1-179.965.5168.7000113.6L276 V467 V471 R545 I546 V550 S552L276-I556 WeakPolarHBondContact CG-O 3.43Å; L276-I556 PolarHBondContact N-O 2.97Å; V467-I556 HydrophobicContact CG1-CD1 4.12Å; V467-I556 HydrophobicContact CG1-CG1 4.27Å; V471-I556 HydrophobicContact CG2-CD1 3.53Å; R545-I556 HydrophobicContact CB-CG2 4.14Å; I546-I556 HydrophobicContact CD1-CD1 3.86Å; I546-I556 HydrophobicContact CG1-CD1 3.74Å; I546-I556 HydrophobicContact CG1-CG2 4.18Å; V550-I556 HydrophobicContact CG1-CG2 4.31Å; S552-I556 WeakPolarHBondContact O-CG1 3.16Å; S552-I556 PolarHBondContact O-N 2.92Å
557G91.2Very high87.9Confident0 Ų056.3 Ų56.30%030%0.296CS..  trans-70.9148.9-17800000113.2R275 T553 W562R275-G557 WeakPolarHBondContact CD-O 3.29Å; R275-G557 PolarHBondContact NH1-O 3.39Å; R275-G557 VanDerWaalsContact NH1-O 3.07Å; T553-G557 WeakPolarHBondContact O-CA 3.28Å; T553-G557 PolarHBondContact O-N 2.91Å; G557-W562 VanDerWaalsContact CA-CE3 3.49Å
558D92.7Very high88.2Confident0 Ų058.5 Ų58.50%030%0.302CS..  trans-101.4-12.6-167.962.2-41.7000114.5P271 L276 I279 R470 Y563P271-D558 HydrophobicContact CG-CB 4.37Å; L276-D558 HydrophobicContact CB-CB 4.27Å; L276-D558 VanDerWaalsContact O-CB 3.27Å; L276-D558 WeakPolarHBondContact O-CB 3.38Å; I279-D558 PolarHBondContact N-OD2 3.44Å; R470-D558 IonicContact CZ-OD1 2.72Å; R470-D558 IonicContact CZ-OD2 2.67Å; R470-D558 IonicContact NH1-OD1 3.36Å; R470-D558 PolarHBondContact NH1-OD1 3.4Å; R470-D558 IonicContact NH1-OD2 3.72Å; R470-D558 PolarHBondContact NH1-OD2 3.09Å; R470-D558 IonicContact NH2-OD1 2.61Å; R470-D558 PolarHBondContact NH2-OD1 2.9Å; R470-D558 IonicContact NH2-OD2 3.49Å; R470-D558 PolarHBondContact NH2-OD2 3.48Å; D558-Y563 VanDerWaalsContact O-CE1 3.29Å; D558-Y563 WeakPolarHBondContact O-CE1 3.43Å; D558-Y563 PolarHBondContact O-OH 2.97Å
559K91.7Very high88.6Confident17 Ų1755.9 Ų55.97%0.07428%0.283CS..SBendtrans-83.2137.3-177.9-47.9-67169.6132.60111.7I279 D463 Y561 W562 Y563I279-K559 WeakPolarHBondContact O-CE 3.35Å; I279-K559 PolarHBondContact O-NZ 3.47Å; D463-K559 HydrophobicContact CB-CG 4.02Å; D463-K559 WeakPolarHBondContact OD1-CD 3.05Å; D463-K559 WeakPolarHBondContact OD1-CE 3.28Å; D463-K559 WeakPolarHBondContact OD1-CG 3.5Å; D463-K559 IonicContact OD1-NZ 2.66Å; D463-K559 PolarHBondContact OD1-NZ 2.97Å; K559-Y561 VanDerWaalsContact C-N 3.27Å; K559-Y561 HydrophobicContact CB-CD1 4.07Å; K559-Y561 HydrophobicContact CB-CE1 3.64Å; K559-Y561 HydrophobicContact CG-CE1 4.38Å; K559-Y561 PolarHBondContact O-N 3.21Å; K559-Y561 VanDerWaalsContact O-N 3.07Å; K559-W562 HydrophobicContact CB-CE3 3.73Å; K559-W562 HydrophobicContact CB-CZ3 3.75Å; K559-W562 HydrophobicContact CG-CE3 4.07Å; K559-W562 HydrophobicContact CG-CH2 4.29Å; K559-W562 HydrophobicContact CG-CZ3 3.54Å; K559-W562 PolarHBondContact O-N 2.92Å; K559-W562 VanDerWaalsContact O-N 3.11Å; K559-Y563 VanDerWaalsContact C-CE1 3.44Å; K559-Y563 WeakPolarHBondContact O-CD1 3.12Å; K559-Y563 WeakPolarHBondContact O-CE1 3.41Å
560L89.5Confident88.9Confident51 Ų5154.1 Ų54.127%0.26727%0.266SS..G310 helixtrans-45.1-44.5-171.6168.764.8000114.4C267 A269 W562 Y563 K564 L567C267-L560 HydrophobicContact CB-CD2 3.88Å; C267-L560 WeakPolarHBondContact SG-CD2 3.45Å; A269-L560 HydrophobicContact CB-CD1 3.78Å; L560-W562 PolarHBondContact O-N 3.23Å; L560-W562 VanDerWaalsContact O-N 3.11Å; L560-Y563 PolarHBondContact O-N 3.39Å; L560-K564 HydrophobicContact CD1-CB 3.89Å; L560-K564 HydrophobicContact CD1-CG 4.3Å; L560-K564 HydrophobicContact CG-CB 4.27Å; L560-K564 WeakPolarHBondContact O-CB 3.21Å; L560-K564 PolarHBondContact O-N 2.9Å; L560-L567 HydrophobicContact CD1-CD1 3.99Å
561Y89.3Confident89Confident116 Ų11654.3 Ų54.346%0.45527%0.265SS..G310 helixtrans-64.6-19-171.962.5-98.2000113.7D463 K559D463-Y561 WeakPolarHBondContact CB-OH 3.5Å; K559-Y561 VanDerWaalsContact C-N 3.27Å; K559-Y561 HydrophobicContact CB-CD1 4.07Å; K559-Y561 HydrophobicContact CB-CE1 3.64Å; K559-Y561 HydrophobicContact CG-CE1 4.38Å; K559-Y561 PolarHBondContact O-N 3.21Å; K559-Y561 VanDerWaalsContact O-N 3.07Å
562W88.5Confident89.1Confident34 Ų3452.2 Ų52.213%0.12926%0.257CS..G310 helixtrans-79.8-11.9173.2-71.2-50000114.8D463 V467 T553 G557 K559 L560D463-W562 HydrophobicContact CB-CH2 4.08Å; V467-W562 HydrophobicContact CG2-CH2 3.7Å; V467-W562 HydrophobicContact CG2-CZ3 3.77Å; T553-W562 HydrophobicContact CG2-CH2 4.32Å; T553-W562 HydrophobicContact CG2-CZ2 3.89Å; G557-W562 VanDerWaalsContact CA-CE3 3.49Å; K559-W562 HydrophobicContact CB-CE3 3.73Å; K559-W562 HydrophobicContact CB-CZ3 3.75Å; K559-W562 HydrophobicContact CG-CE3 4.07Å; K559-W562 HydrophobicContact CG-CH2 4.29Å; K559-W562 HydrophobicContact CG-CZ3 3.54Å; K559-W562 PolarHBondContact O-N 2.92Å; K559-W562 VanDerWaalsContact O-N 3.11Å; L560-W562 PolarHBondContact O-N 3.23Å; L560-W562 VanDerWaalsContact O-N 3.11Å
563Y91.4Very high89Confident6 Ų652.8 Ų52.82%0.02426%0.256CS..THydrogen-bonded Turntrans-142.91-17858.4-85.9000116A269 P271 D558 K559 L560 N565 Q566 L567A269-Y563 HydrophobicContact CB-CE2 4.42Å; P271-Y563 HydrophobicContact CB-CE1 4.24Å; P271-Y563 WeakPolarHBondContact CD-OH 3.44Å; D558-Y563 VanDerWaalsContact O-CE1 3.29Å; D558-Y563 WeakPolarHBondContact O-CE1 3.43Å; D558-Y563 PolarHBondContact O-OH 2.97Å; K559-Y563 VanDerWaalsContact C-CE1 3.44Å; K559-Y563 WeakPolarHBondContact O-CD1 3.12Å; K559-Y563 WeakPolarHBondContact O-CE1 3.41Å; L560-Y563 PolarHBondContact O-N 3.39Å; Y563-N565 PolarHBondContact O-N 3.07Å; Y563-Q566 WeakPolarHBondContact O-CB 3.4Å; Y563-Q566 PolarHBondContact O-N 2.93Å; Y563-L567 HydrophobicContact CD2-CD1 3.84Å; Y563-L567 HydrophobicContact CD2-CD2 4.11Å; Y563-L567 HydrophobicContact CD2-CG 4.07Å; Y563-L567 HydrophobicContact CE2-CD1 3.94Å
564K87.5Confident88.6Confident105 Ų10551.4 Ų51.446%0.45725%0.248SC..G310 helixtrans-44.2-42.5175.7178.9-178.8168.9-176.60112.8Y254 L560 Q566 L567Y254-K564 WeakPolarHBondContact OH-CE 3.42Å; L560-K564 HydrophobicContact CD1-CB 3.89Å; L560-K564 HydrophobicContact CD1-CG 4.3Å; L560-K564 HydrophobicContact CG-CB 4.27Å; L560-K564 WeakPolarHBondContact O-CB 3.21Å; L560-K564 PolarHBondContact O-N 2.9Å; K564-Q566 PolarHBondContact O-N 2.86Å; K564-Q566 VanDerWaalsContact O-N 3.13Å; K564-L567 PolarHBondContact O-N 2.91Å; K564-L567 VanDerWaalsContact O-N 3.13Å
565N86.7Confident87.8Confident158 Ų15846 Ų4685%0.84522%0.222SC*.G310 helixtrans-70-5.3-177.6-56.5-2.5000114.2Y563Y563-N565 PolarHBondContact O-N 3.07Å
566Q87.2Confident86.7Confident133 Ų13344.3 Ų44.362%0.62121%0.214SC*.G310 helixtrans-104.8-4.8177.1-59.8174.9-25.400112Y563 K564Y563-Q566 WeakPolarHBondContact O-CB 3.4Å; Y563-Q566 PolarHBondContact O-N 2.93Å; K564-Q566 PolarHBondContact O-N 2.86Å; K564-Q566 VanDerWaalsContact O-N 3.13Å
567L89.4Confident84.8Confident19 Ų1951.1 Ų51.110%0.09924%0.243CC..SBendtrans-103.5145.2-175.9-55.9178000111.7G249 C252 A269 L560 Y563 K564G249-L567 VanDerWaalsContact C-CD2 3.42Å; C252-L567 HydrophobicContact CB-CD1 4.12Å; A269-L567 HydrophobicContact CB-CD1 3.69Å; L560-L567 HydrophobicContact CD1-CD1 3.99Å; Y563-L567 HydrophobicContact CD2-CD1 3.84Å; Y563-L567 HydrophobicContact CD2-CD2 4.11Å; Y563-L567 HydrophobicContact CD2-CG 4.07Å; Y563-L567 HydrophobicContact CE2-CD1 3.94Å; K564-L567 PolarHBondContact O-N 2.91Å; K564-L567 VanDerWaalsContact O-N 3.13Å
568Q89.4Confident82.6Confident87 Ų8757.1 Ų57.141%0.40728%0.275SS..EExtended strand (participates in β ladder)trans-76.3131.1166.9-170165.834.800110.6C250 T251 C252 I687C250-Q568 PolarHBondContact O-N 3.34Å; T251-Q568 VanDerWaalsContact CA-O 3.28Å; T251-Q568 WeakPolarHBondContact CA-O 3.35Å; C252-Q568 PolarHBondContact N-O 3.04Å; Q568-I687 HydrophobicContact CG-CD1 4.37Å
569P90.1Very high80.8Confident36 Ų3658.3 Ų58.323%0.23428%0.28CS..EExtended strand (participates in β ladder)trans-78.6131175.130.4-33.3000111.5Y254 C686 I687Y254-P569 HydrophobicContact CD2-CB 4.26Å; Y254-P569 HydrophobicContact CE2-CB 3.9Å; P569-C686 HydrophobicContact CG-CB 4.39Å; P569-I687 PolarHBondContact O-N 2.81Å
570V88.5Confident78.6Confident0 Ų060.6 Ų60.60%029%0.293CS..EExtended strand (participates in β ladder)trans-122.7107.2176.1-178.80000108.8T251 C252 V253 Y254 I687 V689 L699T251-V570 HydrophobicContact CG2-CG2 4.06Å; C252-V570 PolarHBondContact O-N 3.29Å; V253-V570 CarbonylContact C-O 3.6Å; V253-V570 WeakPolarHBondContact CA-O 3.45Å; V253-V570 HydrophobicContact CG2-CB 4.34Å; Y254-V570 PolarHBondContact N-O 3.43Å; V570-I687 CarbonylContact C-O 3.49Å; V570-I687 WeakPolarHBondContact CA-O 3.42Å; V570-V689 HydrophobicContact CG1-CB 4.34Å; V570-V689 HydrophobicContact CG1-CG2 3.69Å; V570-L699 HydrophobicContact CG1-CD1 4.35Å; V570-L699 HydrophobicContact CG2-CD1 4.45Å
571D88.3Confident76.3Confident49 Ų4966.4 Ų66.426%0.26231%0.313SS..EExtended strand (participates in β ladder)trans-84.8123.1178.5-71.6-39.5000110.2Y254 I687 L688 V689Y254-D571 WeakPolarHBondContact CB-OD1 3.43Å; D571-I687 PolarHBondContact N-O 2.98Å; D571-L688 HydrophobicContact CB-CD1 3.97Å; D571-V689 PolarHBondContact O-N 2.73Å
572F87.8Confident74Confident4 Ų463.3 Ų63.32%0.01831%0.311CS..EExtended strand (participates in β ladder)trans-120.8108.4175.3-166.7-92.4000110.8S242 A243 P244 V253 Y254 L255 S256 C574 V689 A691S242-F572 WeakPolarHBondContact O-CZ 3.36Å; A243-F572 HydrophobicContact CB-CD1 3.96Å; A243-F572 HydrophobicContact CB-CE1 3.91Å; P244-F572 VanDerWaalsContact CD-CD2 3.44Å; P244-F572 HydrophobicContact CG-CD2 4.19Å; V253-F572 HydrophobicContact CG1-CB 4.26Å; Y254-F572 PolarHBondContact O-N 3.29Å; L255-F572 HydrophobicContact CD1-CD1 3.7Å; L255-F572 HydrophobicContact CD1-CE1 4.48Å; S256-F572 PolarHBondContact N-O 3.26Å; F572-C574 VanDerWaalsContact CE1-SG 3.59Å; F572-V689 HydrophobicContact CD2-CB 4.03Å; F572-V689 HydrophobicContact CD2-CG1 3.8Å; F572-V689 WeakPolarHBondContact CD2-O 3.17Å; F572-V689 HydrophobicContact CE2-CG1 4.01Å; F572-A691 HydrophobicContact CZ-CB 3.9Å
573D83.7Confident71.4Confident56 Ų5666.1 Ų66.130%0.29933%0.328SS..EExtended strand (participates in β ladder)trans-92.9117179.1-1623.5000111.7S256 W575S256-D573 WeakPolarHBondContact CB-OD1 3.2Å; D573-W575 WeakPolarHBondContact OD1-CA 3.44Å; D573-W575 VanDerWaalsContact OD1-CB 3.26Å; D573-W575 WeakPolarHBondContact OD1-CB 3.41Å; D573-W575 PolarHBondContact OD1-N 3.49Å
574C80.3Confident68.4Low0 Ų071 Ų710%036%0.359CS..  trans-89.5-19.1171-75.60000112.2R239 L240 S256 F572R239-C574 HydrophobicContact CB-CB 4.45Å; L240-C574 HydrophobicContact CD2-CB 4.09Å; L240-C574 VanDerWaalsContact CD2-SG 3.54Å; L240-C574 HydrophobicContact CG-CB 4.34Å; S256-C574 PolarHBondContact O-N 2.88Å; S256-C574 VanDerWaalsContact O-N 3.13Å; F572-C574 VanDerWaalsContact CE1-SG 3.59Å
575W71.7Confident65.5Low14 Ų1472.1 Ų72.15%0.05337%0.374CS..  trans-74.6166167.7-161.4-102.4000110.2P259 D573 F579 L609 F610 F613P259-W575 HydrophobicContact CG-CD2 3.76Å; P259-W575 HydrophobicContact CG-CE3 4.45Å; P259-W575 HydrophobicContact CG-CG 3.82Å; P259-W575 HydrophobicContact CG-CZ2 4.26Å; D573-W575 WeakPolarHBondContact OD1-CA 3.44Å; D573-W575 VanDerWaalsContact OD1-CB 3.26Å; D573-W575 WeakPolarHBondContact OD1-CB 3.41Å; D573-W575 PolarHBondContact OD1-N 3.49Å; W575-F579 AromaticContact CD2-CD2 3.82Å; W575-F579 HydrophobicContact CD2-CD2 3.82Å; W575-F579 HydrophobicContact CD2-CE2 4.39Å; W575-F579 AromaticContact CE2-CD2 3.58Å; W575-F579 AromaticContact CE2-CG 3.94Å; W575-F579 HydrophobicContact CE3-CD2 4.01Å; W575-F579 HydrophobicContact CE3-CE2 4.2Å; W575-F579 HydrophobicContact CG-CD2 4.5Å; W575-F579 HydrophobicContact CH2-CB 4Å; W575-F579 HydrophobicContact CH2-CD1 4.34Å; W575-F579 AromaticContact CH2-CD2 3.79Å; W575-F579 HydrophobicContact CH2-CD2 3.79Å; W575-F579 HydrophobicContact CH2-CE2 4.33Å; W575-F579 AromaticContact CH2-CG 3.8Å; W575-F579 HydrophobicContact CH2-CG 3.8Å; W575-F579 HydrophobicContact CZ2-CB 3.27Å; W575-F579 HydrophobicContact CZ2-CD1 4.43Å; W575-F579 AromaticContact CZ2-CD2 3.59Å; W575-F579 HydrophobicContact CZ2-CD2 3.59Å; W575-F579 AromaticContact CZ2-CG 3.53Å; W575-F579 HydrophobicContact CZ2-CG 3.53Å; W575-F579 AromaticContact CZ3-CD2 3.99Å; W575-F579 HydrophobicContact CZ3-CD2 3.99Å; W575-F579 HydrophobicContact CZ3-CE2 4.17Å; W575-F579 HydrophobicContact CZ3-CG 4.44Å; W575-L609 HydrophobicContact CH2-CD2 3.79Å; W575-L609 HydrophobicContact CZ3-CD2 3.79Å; W575-F610 AromaticContact CH2-CD2 3.91Å; W575-F610 HydrophobicContact CH2-CD2 3.91Å; W575-F610 AromaticContact CZ2-CD2 3.58Å; W575-F610 HydrophobicContact CZ2-CD2 3.58Å; W575-F610 HydrophobicContact CZ2-CE2 4.07Å; W575-F613 HydrophobicContact CH2-CD2 4.41Å; W575-F613 AromaticContact CZ3-CD2 3.76Å; W575-F613 HydrophobicContact CZ3-CD2 3.76Å; W575-F613 HydrophobicContact CZ3-CE2 4.19Å
576D65Low63Low45 Ų4570.2 Ų70.224%0.24137%0.37CS..  trans-155.3137.1-172.1-179.7-3.8000110R239 L578 F579R239-D576 IonicContact CZ-OD2 2.98Å; R239-D576 IonicContact NH1-OD2 2.86Å; R239-D576 PolarHBondContact NH1-OD2 3.34Å; R239-D576 IonicContact NH2-OD2 3.68Å; R239-D576 PolarHBondContact NH2-OD2 2.74Å; D576-L578 PolarHBondContact O-N 3.11Å; D576-L578 VanDerWaalsContact O-N 3.08Å; D576-L578 PolarHBondContact OD1-N 2.7Å; D576-F579 HydrophobicContact CB-CD2 4.28Å; D576-F579 HydrophobicContact CB-CE2 4.39Å; D576-F579 WeakPolarHBondContact O-CB 2.83Å; D576-F579 WeakPolarHBondContact O-CD2 3.49Å; D576-F579 PolarHBondContact O-N 3.43Å
577K50.6Low60.2Low143 Ų14369.9 Ų69.962%0.62238%0.378SS*.THydrogen-bonded Turntrans-63.3-16-178.7-59.9-175.4-179.5-177.80112.4F579 D580 Y581K577-F579 PolarHBondContact O-N 2.86Å; K577-D580 WeakPolarHBondContact O-CA 3.07Å; K577-D580 WeakPolarHBondContact O-CB 3.48Å; K577-D580 PolarHBondContact O-N 2.85Å; K577-Y581 HydrophobicContact CB-CD2 4.46Å; K577-Y581 HydrophobicContact CB-CE2 4.14Å; K577-Y581 WeakPolarHBondContact O-CD2 3.09Å; K577-Y581 PolarHBondContact O-N 2.9Å
578L46.1Very low57.1Low126 Ų12677 Ų7766%0.6642%0.416SS*.THydrogen-bonded Turntrans-53.1-29.5165.4-93.6162.1000113.8D576D576-L578 PolarHBondContact O-N 3.11Å; D576-L578 VanDerWaalsContact O-N 3.08Å; D576-L578 PolarHBondContact OD1-N 2.7Å
579F53.9Low54.3Low25 Ų2579.6 Ų79.611%0.1144%0.438CS..THydrogen-bonded Turntrans-76-30172.1-63.1-65.4000112.8Q232 W575 D576 K577 L609Q232-F579 HydrophobicContact CB-CE1 4.07Å; Q232-F579 HydrophobicContact CB-CZ 4.47Å; Q232-F579 HydrophobicContact CG-CE1 4.23Å; W575-F579 AromaticContact CD2-CD2 3.82Å; W575-F579 HydrophobicContact CD2-CD2 3.82Å; W575-F579 HydrophobicContact CD2-CE2 4.39Å; W575-F579 AromaticContact CE2-CD2 3.58Å; W575-F579 AromaticContact CE2-CG 3.94Å; W575-F579 HydrophobicContact CE3-CD2 4.01Å; W575-F579 HydrophobicContact CE3-CE2 4.2Å; W575-F579 HydrophobicContact CG-CD2 4.5Å; W575-F579 HydrophobicContact CH2-CB 4Å; W575-F579 HydrophobicContact CH2-CD1 4.34Å; W575-F579 AromaticContact CH2-CD2 3.79Å; W575-F579 HydrophobicContact CH2-CD2 3.79Å; W575-F579 HydrophobicContact CH2-CE2 4.33Å; W575-F579 AromaticContact CH2-CG 3.8Å; W575-F579 HydrophobicContact CH2-CG 3.8Å; W575-F579 HydrophobicContact CZ2-CB 3.27Å; W575-F579 HydrophobicContact CZ2-CD1 4.43Å; W575-F579 AromaticContact CZ2-CD2 3.59Å; W575-F579 HydrophobicContact CZ2-CD2 3.59Å; W575-F579 AromaticContact CZ2-CG 3.53Å; W575-F579 HydrophobicContact CZ2-CG 3.53Å; W575-F579 AromaticContact CZ3-CD2 3.99Å; W575-F579 HydrophobicContact CZ3-CD2 3.99Å; W575-F579 HydrophobicContact CZ3-CE2 4.17Å; W575-F579 HydrophobicContact CZ3-CG 4.44Å; D576-F579 HydrophobicContact CB-CD2 4.28Å; D576-F579 HydrophobicContact CB-CE2 4.39Å; D576-F579 WeakPolarHBondContact O-CB 2.83Å; D576-F579 WeakPolarHBondContact O-CD2 3.49Å; D576-F579 PolarHBondContact O-N 3.43Å; K577-F579 PolarHBondContact O-N 2.86Å; F579-L609 HydrophobicContact CE1-CD2 4.11Å; F579-L609 HydrophobicContact CZ-CD2 4.34Å
580D46Very low51.3Low66 Ų6682.9 Ų82.935%0.35346%0.462SS..G310 helixtrans-77.3-31.4-179.8-52.4-28.7000112K577 A582 N583K577-D580 WeakPolarHBondContact O-CA 3.07Å; K577-D580 WeakPolarHBondContact O-CB 3.48Å; K577-D580 PolarHBondContact O-N 2.85Å; D580-A582 PolarHBondContact O-N 2.7Å; D580-N583 WeakPolarHBondContact O-CB 3.47Å; D580-N583 PolarHBondContact O-N 2.99Å; D580-N583 VanDerWaalsContact O-N 3.12Å; D580-N583 PolarHBondContact O-ND2 3.12Å
581Y40.3Very low48.5Very low173 Ų17391.6 Ų91.668%0.67850%0.5SS*.G310 helixtrans-63.6-9.4-179-81.8-64.9000114.8K577 N583K577-Y581 HydrophobicContact CB-CD2 4.46Å; K577-Y581 HydrophobicContact CB-CE2 4.14Å; K577-Y581 WeakPolarHBondContact O-CD2 3.09Å; K577-Y581 PolarHBondContact O-N 2.9Å; Y581-N583 PolarHBondContact O-N 3.27Å
582A40.9Very low45.7Very low50 Ų5094.8 Ų94.841%0.41352%0.521SS..G310 helixtrans-62.4-14.6168.700000113.8D580D580-A582 PolarHBondContact O-N 2.7Å
583N35Very low42.9Very low93 Ų93101.4 Ų101.450%0.49756%0.557SS.*G310 helixtrans-96.13.3-168.9-64.9-61.5000116.2D580 Y581D580-N583 WeakPolarHBondContact O-CB 3.47Å; D580-N583 PolarHBondContact O-N 2.99Å; D580-N583 VanDerWaalsContact O-N 3.12Å; D580-N583 PolarHBondContact O-ND2 3.12Å; Y581-N583 PolarHBondContact O-N 3.27Å
584V27.7Very low40.3Very low110 Ų110107.2 Ų107.267%0.66758%0.582SS**  trans-122.479.5-169.4-167.40000114
585T27.7Very low37.6Very low128 Ų128112.5 Ų112.579%0.78562%0.619SS**  trans-173.1114.9130.331.70000111.6
586P33.2Very low35.4Very low117 Ų117116.8 Ų116.876%0.7665%0.651SS**  trans-115114.6143.432.7-23.6000109.4
587T27.8Very low33.6Very low126 Ų126120.4 Ų120.477%0.77368%0.677SS**  trans-68.413717745.90000111.6T589T587-T589 PolarHBondContact O-N 3.06Å
588N26.3Very low32.4Very low170 Ų170122.3 Ų122.391%0.90969%0.685SS**  trans-56.4115.5-176.6-72.7-41.6000113.9
589T28.8Very low31.3Very low141 Ų141125 Ų12587%0.86570%0.699SS**  trans-134.5131.6155.350.60000109.7T587T587-T589 PolarHBondContact O-N 3.06Å
590S28.1Very low29.9Very low105 Ų105128.5 Ų128.573%0.73473%0.727SS**  trans-105.1135.9-170.3540000113.1
591K30.4Very low28.9Very low183 Ų183134.1 Ų134.180%0.79676%0.756SS**  162.8130.8120.5-88.2169-177.7179.30114.7
592T28.2Very low28.3Very low115 Ų115130 Ų13071%0.70676%0.758SS**  trans54.7107.4141.560.70000122.3
593N28.5Very low28Very low144 Ų144134.1 Ų134.177%0.7777%0.773SS**  78121.1120.6-677.9000123.5
594Q29.2Very low28.2Very low178 Ų178135.2 Ų135.283%0.83279%0.788SS**  trans87.7115137.4-72.4-178.12.300122.4
595S25.1Very low29Very low111 Ų111135.5 Ų135.578%0.77679%0.785SS**  trans104.8131.5132.878.40000120.6
596S25.5Very low30.3Very low104 Ų104132 Ų13273%0.72776%0.762SS**  trans65.1130.5168.772.10000118.6
597P26.8Very low31.8Very low121 Ų121127.7 Ų127.779%0.78673%0.734SS**  trans-85.6121.1179.132.8-32.4000112.2
598K24.3Very low34.1Very low183 Ų183123.3 Ų123.380%0.79671%0.706SS**  trans-118.1116.8153.7-73-176.5177.61790107.6S600K598-S600 VanDerWaalsContact C-N 3.33Å; K598-S600 PolarHBondContact O-N 2.88Å
599L23.7Very low36.6Very low182 Ų182115.3 Ų115.395%0.95366%0.663SS**  trans-68.592.8171.8-99.782.5000109.2
600S24.7Very low38.8Very low98 Ų98110.5 Ų110.569%0.68563%0.63SS**  trans-102.695.8175.552.60000110.8K598 A602K598-S600 VanDerWaalsContact C-N 3.33Å; K598-S600 PolarHBondContact O-N 2.88Å; S600-A602 PolarHBondContact O-N 3.02Å
601L25.5Very low41.3Very low184 Ų184108.5 Ų108.596%0.96361%0.609SS**  trans0.577.3155.5-163.976.6000117.2
602A28Very low43.6Very low87 Ų8799.8 Ų99.872%0.71957%0.571SS**  trans-152.972.7177.200000112.7S600S600-A602 PolarHBondContact O-N 3.02Å
603N33.2Very low46.1Very low137 Ų13794.4 Ų94.473%0.73354%0.538SS*.  trans-157.980.9164.1-117.8-16.2000110.7N605N603-N605 VanDerWaalsContact C-N 3.29Å; N603-N605 PolarHBondContact O-N 3.48Å
604S40.4Very low48.4Very low115 Ų11590.6 Ų90.680%0.80452%0.516SS*.THydrogen-bonded Turntrans-76.9-5.4-172.649.40000115.5
605N44.5Very low50.7Low116 Ų11685.4 Ų85.462%0.6249%0.493SS*.THydrogen-bonded Turntrans-110.60.2-161-64.713.6000114.9N603N603-N605 VanDerWaalsContact C-N 3.29Å; N603-N605 PolarHBondContact O-N 3.48Å
606L53.5Low53Low55 Ų5580.2 Ų80.229%0.28846%0.457SS..SBendtrans-74.4129167.9-105.975.6000109.8M608 F610 Q611L606-M608 PolarHBondContact O-N 2.89Å; L606-F610 HydrophobicContact CD2-CD1 4.03Å; L606-F610 HydrophobicContact CG-CD1 4.49Å; L606-Q611 HydrophobicContact CB-CG 4.05Å; L606-Q611 HydrophobicContact CD2-CG 3.73Å
607S66.3Low55.2Low27 Ų2777.3 Ų77.319%0.18943%0.431CS..  trans-57.4133.2167.3175.20000109.8Q232 L609 F610 Q611Q232-S607 PolarHBondContact OE1-OG 2.66Å; S607-L609 PolarHBondContact O-N 3Å; S607-L609 VanDerWaalsContact O-N 3.12Å; S607-L609 PolarHBondContact OG-N 2.9Å; S607-F610 PolarHBondContact O-N 3.11Å; S607-Q611 PolarHBondContact O-N 3.27Å
608M75.6Confident57.2Low34 Ų3474.5 Ų74.517%0.16741%0.414CS..Hα-helixtrans-60-23.3176.5-71.1-175.9-66.900111.7L196 L199 P225 V226 S229 L606 A612L196-M608 HydrophobicContact CD2-CB 4.33Å; L199-M608 HydrophobicContact CB-CB 4.39Å; L199-M608 HydrophobicContact CB-CG 4.31Å; L199-M608 HydrophobicContact CB-SD 4.02Å; L199-M608 HydrophobicContact CD1-CB 4.16Å; L199-M608 VanDerWaalsContact CD1-O 3.31Å; L199-M608 WeakPolarHBondContact CD1-O 3.47Å; P225-M608 VanDerWaalsContact C-CE 3.49Å; P225-M608 HydrophobicContact CB-CE 4.09Å; P225-M608 WeakPolarHBondContact O-CE 3.46Å; V226-M608 HydrophobicContact CB-CE 4.36Å; V226-M608 HydrophobicContact CG2-CE 3.9Å; S229-M608 WeakPolarHBondContact OG-CE 3.36Å; L606-M608 PolarHBondContact O-N 2.89Å; M608-A612 WeakPolarHBondContact O-CB 3.11Å; M608-A612 PolarHBondContact O-N 2.84Å
609L78.2Confident59.1Low2 Ų270.5 Ų70.51%0.0140%0.401CS..Hα-helixtrans-67.2-39.9174.8-169.7147.9000112.2L196 Q232 F233 W575 F579 S607 A612 F613L196-L609 HydrophobicContact CD2-CB 4.18Å; Q232-L609 HydrophobicContact CB-CD1 3.85Å; F233-L609 HydrophobicContact CB-CD1 3.92Å; W575-L609 HydrophobicContact CH2-CD2 3.79Å; W575-L609 HydrophobicContact CZ3-CD2 3.79Å; F579-L609 HydrophobicContact CE1-CD2 4.11Å; F579-L609 HydrophobicContact CZ-CD2 4.34Å; S607-L609 PolarHBondContact O-N 3Å; S607-L609 VanDerWaalsContact O-N 3.12Å; S607-L609 PolarHBondContact OG-N 2.9Å; L609-A612 WeakPolarHBondContact O-CB 3.43Å; L609-A612 PolarHBondContact O-N 3.06Å; L609-F613 PolarHBondContact O-N 2.93Å
610F75.9Confident60.9Low40 Ų4064.4 Ų64.418%0.17537%0.368CS..Hα-helixtrans-69.5-42.9176.3-171.7-113.7000111.7W575 L606 S607 A612 F613 E614W575-F610 AromaticContact CH2-CD2 3.91Å; W575-F610 HydrophobicContact CH2-CD2 3.91Å; W575-F610 AromaticContact CZ2-CD2 3.58Å; W575-F610 HydrophobicContact CZ2-CD2 3.58Å; W575-F610 HydrophobicContact CZ2-CE2 4.07Å; L606-F610 HydrophobicContact CD2-CD1 4.03Å; L606-F610 HydrophobicContact CG-CD1 4.49Å; S607-F610 PolarHBondContact O-N 3.11Å; F610-A612 VanDerWaalsContact C-N 3.28Å; F610-A612 PolarHBondContact O-N 3.41Å; F610-F613 PolarHBondContact O-N 3.32Å; F610-F613 VanDerWaalsContact O-N 3.08Å; F610-E614 HydrophobicContact CE1-CG 4.44Å; F610-E614 HydrophobicContact CZ-CG 4.29Å; F610-E614 PolarHBondContact O-N 3.28Å; F610-E614 VanDerWaalsContact O-N 3.11Å
611Q79Confident62.6Low63 Ų6363.1 Ų63.129%0.29435%0.354SS..Hα-helixtrans-60.1-39172-65.7-175.11.300111.9L199 L606 S607 F613 L615L199-Q611 HydrophobicContact CD1-CB 3.77Å; L606-Q611 HydrophobicContact CB-CG 4.05Å; L606-Q611 HydrophobicContact CD2-CG 3.73Å; S607-Q611 PolarHBondContact O-N 3.27Å; Q611-F613 VanDerWaalsContact C-N 3.28Å; Q611-F613 PolarHBondContact O-N 3.45Å; Q611-L615 WeakPolarHBondContact O-CB 3.38Å; Q611-L615 WeakPolarHBondContact O-CD1 3.23Å; Q611-L615 WeakPolarHBondContact O-CG 3.18Å; Q611-L615 PolarHBondContact O-N 3.45Å
612A79.7Confident64Low0 Ų061 Ų610%033%0.333CS..Hα-helixtrans-63.2-35175.200000112.1K195 L196 L199 M608 L609 F610 A616K195-A612 HydrophobicContact CB-CB 3.93Å; K195-A612 HydrophobicContact CG-CB 4.13Å; L196-A612 HydrophobicContact CB-CB 4.5Å; L196-A612 HydrophobicContact CD2-CB 4.02Å; L196-A612 HydrophobicContact CG-CB 3.75Å; L199-A612 HydrophobicContact CD1-CB 4.13Å; M608-A612 WeakPolarHBondContact O-CB 3.11Å; M608-A612 PolarHBondContact O-N 2.84Å; L609-A612 WeakPolarHBondContact O-CB 3.43Å; L609-A612 PolarHBondContact O-N 3.06Å; F610-A612 VanDerWaalsContact C-N 3.28Å; F610-A612 PolarHBondContact O-N 3.41Å; A612-A616 VanDerWaalsContact O-CB 3.26Å; A612-A616 WeakPolarHBondContact O-CB 3.38Å; A612-A616 PolarHBondContact O-N 3.14Å
613F79.7Confident64.7Low2 Ų261.7 Ų61.71%0.00932%0.317CS..Hα-helixtrans-73.6-52.7-178.6-137.8-57.7000113.2V192 W236 V257 Q258 L262 W575 L609 F610 Q611 L615 A616 K617V192-F613 HydrophobicContact CG2-CD2 3.92Å; V192-F613 HydrophobicContact CG2-CE1 4.45Å; V192-F613 HydrophobicContact CG2-CE2 3.86Å; V192-F613 HydrophobicContact CG2-CG 4.26Å; V192-F613 HydrophobicContact CG2-CZ 4.13Å; W236-F613 HydrophobicContact CH2-CE2 4.27Å; W236-F613 AromaticContact CZ2-CE2 3.66Å; W236-F613 HydrophobicContact CZ2-CE2 3.66Å; W236-F613 HydrophobicContact CZ2-CZ 4.04Å; V257-F613 WeakPolarHBondContact O-CZ 3.32Å; Q258-F613 HydrophobicContact CB-CD1 4.22Å; Q258-F613 HydrophobicContact CB-CE1 3.29Å; Q258-F613 HydrophobicContact CB-CZ 3.51Å; Q258-F613 HydrophobicContact CG-CE1 4.49Å; L262-F613 HydrophobicContact CD2-CB 4.43Å; L262-F613 HydrophobicContact CD2-CD1 3.7Å; L262-F613 HydrophobicContact CD2-CG 4.43Å; W575-F613 HydrophobicContact CH2-CD2 4.41Å; W575-F613 AromaticContact CZ3-CD2 3.76Å; W575-F613 HydrophobicContact CZ3-CD2 3.76Å; W575-F613 HydrophobicContact CZ3-CE2 4.19Å; L609-F613 PolarHBondContact O-N 2.93Å; F610-F613 PolarHBondContact O-N 3.32Å; F610-F613 VanDerWaalsContact O-N 3.08Å; Q611-F613 VanDerWaalsContact C-N 3.28Å; Q611-F613 PolarHBondContact O-N 3.45Å; F613-L615 PolarHBondContact O-N 3.38Å; F613-A616 WeakPolarHBondContact O-CA 3.38Å; F613-A616 WeakPolarHBondContact O-CB 3.25Å; F613-A616 PolarHBondContact O-N 3.39Å; F613-K617 PolarHBondContact O-N 3.26Å
614E77.9Confident65Low64 Ų6459.3 Ų59.330%0.29931%0.31SS..Hα-helixtrans-58.2-37.1175.8-82.7-67.6177.500111.7L262 F610 A616 K617 S618L262-E614 WeakPolarHBondContact CD1-OE1 3.42Å; L262-E614 HydrophobicContact CD2-CG 4.1Å; F610-E614 HydrophobicContact CE1-CG 4.44Å; F610-E614 HydrophobicContact CZ-CG 4.29Å; F610-E614 PolarHBondContact O-N 3.28Å; F610-E614 VanDerWaalsContact O-N 3.11Å; E614-A616 VanDerWaalsContact C-N 3.29Å; E614-A616 PolarHBondContact O-N 2.85Å; E614-K617 WeakPolarHBondContact OE2-CD 3.47Å; E614-K617 IonicContact OE2-NZ 3.8Å; E614-S618 PolarHBondContact O-N 2.75Å; E614-S618 PolarHBondContact O-OG 3.38Å
615L76.2Confident64.4Low69 Ų6957.8 Ų57.836%0.36130%0.299SS..Hα-helixtrans-83.30.2176.7-62.2172.4000114.5K195 Q611 F613 I619K195-L615 HydrophobicContact CD-CB 3.9Å; K195-L615 HydrophobicContact CG-CB 3.94Å; Q611-L615 WeakPolarHBondContact O-CB 3.38Å; Q611-L615 WeakPolarHBondContact O-CD1 3.23Å; Q611-L615 WeakPolarHBondContact O-CG 3.18Å; Q611-L615 PolarHBondContact O-N 3.45Å; F613-L615 PolarHBondContact O-N 3.38Å; L615-I619 WeakPolarHBondContact O-CD1 3.45Å
616A75.3Confident63.7Low1 Ų155.6 Ų55.61%0.00830%0.304CS..Hα-helixtrans-95.4-43.9166.100000110.7A191 V192 A612 F613 E614 S618 I619 I620A191-A616 HydrophobicContact CB-CB 3.98Å; V192-A616 HydrophobicContact CG2-CB 4.27Å; A612-A616 VanDerWaalsContact O-CB 3.26Å; A612-A616 WeakPolarHBondContact O-CB 3.38Å; A612-A616 PolarHBondContact O-N 3.14Å; F613-A616 WeakPolarHBondContact O-CA 3.38Å; F613-A616 WeakPolarHBondContact O-CB 3.25Å; F613-A616 PolarHBondContact O-N 3.39Å; E614-A616 VanDerWaalsContact C-N 3.29Å; E614-A616 PolarHBondContact O-N 2.85Å; A616-S618 VanDerWaalsContact C-N 3.33Å; A616-S618 PolarHBondContact O-N 3.02Å; A616-I619 WeakPolarHBondContact O-CA 3.09Å; A616-I619 WeakPolarHBondContact O-CB 3.24Å; A616-I619 PolarHBondContact O-N 2.97Å; A616-I620 WeakPolarHBondContact O-CG1 3.44Å; A616-I620 PolarHBondContact O-N 2.8Å
617K70.1Confident62.5Low43 Ų4360.1 Ų60.119%0.18733%0.329CS..Hα-helixtrans-47.8-51.9171.5169.9-152.2-166.41620112.3T261 L262 F613 E614 I619 I620 N621T261-K617 PolarHBondContact O-NZ 3.19Å; L262-K617 HydrophobicContact CB-CB 4.39Å; L262-K617 HydrophobicContact CB-CD 3.97Å; L262-K617 HydrophobicContact CB-CG 4.19Å; L262-K617 HydrophobicContact CD2-CB 4.03Å; L262-K617 HydrophobicContact CD2-CD 4.15Å; L262-K617 HydrophobicContact CG-CB 4.46Å; L262-K617 HydrophobicContact CG-CD 3.82Å; L262-K617 HydrophobicContact CG-CG 4.44Å; L262-K617 WeakPolarHBondContact O-CE 3.4Å; L262-K617 WeakPolarHBondContact O-CG 3.4Å; F613-K617 PolarHBondContact O-N 3.26Å; E614-K617 WeakPolarHBondContact OE2-CD 3.47Å; E614-K617 IonicContact OE2-NZ 3.8Å; K617-I619 PolarHBondContact O-N 3.28Å; K617-I619 VanDerWaalsContact O-N 3.11Å; K617-I620 PolarHBondContact O-N 3.21Å; K617-I620 VanDerWaalsContact O-N 3.08Å; K617-N621 PolarHBondContact O-N 3.22Å; K617-N621 PolarHBondContact O-OD1 2.86Å
618S69.6Low60.7Low62 Ų6265.7 Ų65.743%0.43436%0.355SS..Hα-helixtrans-61.9-21.3-178.855.60000113.7E614 A616 R622E614-S618 PolarHBondContact O-N 2.75Å; E614-S618 PolarHBondContact O-OG 3.38Å; A616-S618 VanDerWaalsContact C-N 3.33Å; A616-S618 PolarHBondContact O-N 3.02Å; S618-R622 WeakPolarHBondContact O-CB 3.35Å
619I64.9Low58.5Low100 Ų10070.4 Ų70.451%0.51338%0.381SS..Hα-helixtrans-87.9-39.5173.5-59.8175000111L615 A616 K617 R623L615-I619 WeakPolarHBondContact O-CD1 3.45Å; A616-I619 WeakPolarHBondContact O-CA 3.09Å; A616-I619 WeakPolarHBondContact O-CB 3.24Å; A616-I619 PolarHBondContact O-N 2.97Å; K617-I619 PolarHBondContact O-N 3.28Å; K617-I619 VanDerWaalsContact O-N 3.11Å; I619-R623 PolarHBondContact O-N 3.41Å
620I60.9Low56.1Low53 Ų5376.1 Ų76.127%0.27242%0.416SS..Hα-helixtrans-63.5-52.9178.1-68.2166000110A191 A616 K617 R622 R623 C624A191-I620 HydrophobicContact CB-CD1 4.43Å; A616-I620 WeakPolarHBondContact O-CG1 3.44Å; A616-I620 PolarHBondContact O-N 2.8Å; K617-I620 PolarHBondContact O-N 3.21Å; K617-I620 VanDerWaalsContact O-N 3.08Å; I620-R622 VanDerWaalsContact C-N 3.3Å; I620-R622 PolarHBondContact O-N 3.49Å; I620-R623 WeakPolarHBondContact O-CA 3.3Å; I620-R623 VanDerWaalsContact O-CB 3.3Å; I620-R623 WeakPolarHBondContact O-CB 3.48Å; I620-R623 PolarHBondContact O-N 2.82Å; I620-C624 PolarHBondContact O-N 2.9Å
621N60.8Low53.8Low72 Ų7283.1 Ų83.139%0.38545%0.449SS..Hα-helixtrans-62.5-39.3-178.2-63.514.5000111.1K617 R623 C624 S625K617-N621 PolarHBondContact O-N 3.22Å; K617-N621 PolarHBondContact O-OD1 2.86Å; N621-R623 PolarHBondContact O-N 2.79Å; N621-C624 WeakPolarHBondContact O-CB 3.37Å; N621-C624 PolarHBondContact O-N 3.3Å; N621-S625 PolarHBondContact O-N 3.35Å; N621-S625 PolarHBondContact O-OG 3.39Å
622R53.6Low51.5Low139 Ų13987.4 Ų87.453%0.52547%0.472SS..Hα-helixtrans-71.1-3.4174.9-163.9171-168-176.64.5114.2S618 I620 N629S618-R622 WeakPolarHBondContact O-CB 3.35Å; I620-R622 VanDerWaalsContact C-N 3.3Å; I620-R622 PolarHBondContact O-N 3.49Å; R622-N629 PolarHBondContact NH2-O 2.81Å
623R43.2Very low49.1Very low102 Ų10294.4 Ų94.439%0.38551%0.51SS..Hα-helixtrans-96.1-20.4168.4-138.8179.9-167-172.34.1112I619 I620 N621 K658I619-R623 PolarHBondContact O-N 3.41Å; I620-R623 WeakPolarHBondContact O-CA 3.3Å; I620-R623 VanDerWaalsContact O-CB 3.3Å; I620-R623 WeakPolarHBondContact O-CB 3.48Å; I620-R623 PolarHBondContact O-N 2.82Å; N621-R623 PolarHBondContact O-N 2.79Å; R623-K658 VanDerWaalsContact O-CE 3.24Å; R623-K658 WeakPolarHBondContact O-CE 3.29Å; R623-K658 PolarHBondContact O-NZ 2.85Å
624C39.8Very low46.5Very low86 Ų8699.7 Ų99.758%0.58154%0.543SS*.Hα-helixtrans-80.1-60.8175.5-64.80000110.5I620 N621 G626 K658I620-C624 PolarHBondContact O-N 2.9Å; N621-C624 WeakPolarHBondContact O-CB 3.37Å; N621-C624 PolarHBondContact O-N 3.3Å; C624-G626 PolarHBondContact O-N 2.96Å; C624-K658 PolarHBondContact O-NZ 2.66Å; C624-K658 VanDerWaalsContact O-NZ 3.08Å
625S28.6Very low44Very low83 Ų83103.9 Ų103.958%0.5857%0.567SS**SBendtrans-75117172.645.90000110.8N621 D627N621-S625 PolarHBondContact O-N 3.35Å; N621-S625 PolarHBondContact O-OG 3.39Å; S625-D627 PolarHBondContact O-N 3.16Å
626G29.8Very low41.8Very low70 Ų70105.9 Ų105.972%0.72259%0.587SS**  trans-84.9102.9174.900000110.7C624C624-G626 PolarHBondContact O-N 2.96Å
627D26.6Very low39.5Very low151 Ų151113.2 Ų113.281%0.80762%0.624SS**  trans-155.1144.8152.4-119.2-30000112.1S625S625-D627 PolarHBondContact O-N 3.16Å
628I29.3Very low37.5Very low143 Ų143118.2 Ų118.273%0.73365%0.653SS**  trans-88.9133.7-172.3-62.4170.4000110
629N29.2Very low35.5Very low133 Ų133122 Ų12271%0.71167%0.669SS**  trans-162112.1152.1-102.2-47.2000110.5R622R622-N629 PolarHBondContact NH2-O 2.81Å
630T28.6Very low33.7Very low122 Ų122125 Ų12575%0.74869%0.685SS**  trans-85125.9-177.3470000111.7
631E27.7Very low32Very low187 Ų187128.2 Ų128.287%0.87471%0.708SS**  trans-90.8113.2164.4-69.9178138.900109.7
632I30.8Very low30.3Very low153 Ų153132.5 Ų132.579%0.78573%0.729SS**  trans-137.5139.1161.9-62.4-178.6000105.9
633D27.5Very low28.8Very low147 Ų147130.7 Ų130.779%0.78674%0.738SS**  trans-67.7129.5-171.9-58.2-75.4000114
634T27.1Very low28Very low114 Ų114134.1 Ų134.170%0.69976%0.763SS**  trans35.9108.6146.359.90000119.8
635D25.3Very low27.2Very low152 Ų152134.2 Ų134.281%0.81377%0.765SS**  174.2163.292.7-97.9-24.1000115.1
636S28.8Very low26.9Very low111 Ų111136.9 Ų136.978%0.77677%0.772SS**  trans74.382.2163.164.20000121.6
637I26.7Very low26.6Very low154 Ų154140.8 Ų140.879%0.7978%0.776SS**  13.8113.3128-54.6168.2000117.9
638N29.8Very low26.5Very low149 Ų149137.9 Ų137.980%0.79777%0.773SS**  -178.3165.798.9-122.6-19.2000113.4
639N25.8Very low26.3Very low142 Ų142139.1 Ų139.176%0.75978%0.776SS**  trans-87.5155.2-179.2-59.9-21.3000113.4
640D27.3Very low26.1Very low162 Ų162137 Ų13787%0.86677%0.769SS**  -166.8175.8107.7-109.1-22.6000113.4
641T25.4Very low26Very low121 Ų121134.1 Ų134.174%0.74276%0.763SS**  trans-126.7147-158.9-44.80000112.8
642I26Very low26Very low161 Ų161131 Ų13183%0.82675%0.752SS**  trans164.2148.3133.4-84.6158.7000112.2
643S22.5Very low26.2Very low102 Ų102132.6 Ų132.671%0.71375%0.75SS**  trans-58.5154.5-173.555.70000118.3
644L25.8Very low26.5Very low173 Ų173129.6 Ų129.691%0.90673%0.733SS**  trans-151.8177.3130.6-111.3168000110.7
645S22.2Very low27Very low89 Ų89124.9 Ų124.962%0.62271%0.707SS**  trans-121.6161.4-152.756.10000116.4
646N23.1Very low27.7Very low138 Ų138120.2 Ų120.274%0.73868%0.681SS**  trans84151.5161.3-66.714.5000120
647D23.9Very low28.1Very low152 Ų152117.3 Ų117.381%0.81366%0.655SS**  trans61.291.6156.3-51.8-26.2000120.3
648A25Very low28.3Very low90 Ų90115.4 Ų115.474%0.74464%0.64SS**  trans-154.890.6155.800000112.4T650A648-T650 PolarHBondContact O-N 2.81Å
649Q24.5Very low28.2Very low169 Ų169110.9 Ų110.979%0.7962%0.618SS**  trans-87.484.4164.9-75.7-173.3-12.300110.2
650T25.5Very low28.6Very low90 Ų90106 Ų10655%0.55259%0.589SS**  trans-145.194.1176.131.90000112.9A648A648-T650 PolarHBondContact O-N 2.81Å
651G25.5Very low28.6Very low61 Ų61101.3 Ų101.363%0.62957%0.569SS**  trans-134.2-10.217700000116.7
652D28.4Very low28.8Very low122 Ų122102.1 Ų102.165%0.65257%0.569SS**THydrogen-bonded Turntrans-118.565.3-148.3-68.2-70.1000116.5
653Y35Very low29Very low186 Ų186100.9 Ų100.973%0.72956%0.564SS**THydrogen-bonded Turntrans-126.71.6162.6-69.5-74.1000114.7
654I34.2Very low29.3Very low83 Ų8399.5 Ų99.543%0.42655%0.554SS.*SBendtrans-112-6157.6-69.5163.4000110.1M656I654-M656 PolarHBondContact O-N 2.89Å
655G36.2Very low29.4Very low16 Ų1699.7 Ų99.717%0.16556%0.556CS.*G310 helixtrans-67.2-25.9-174.400000115.9F657 K658G655-F657 PolarHBondContact O-N 2.74Å; G655-F657 VanDerWaalsContact O-N 3.13Å; G655-K658 WeakPolarHBondContact O-CA 3.48Å; G655-K658 WeakPolarHBondContact O-CB 3.34Å; G655-K658 PolarHBondContact O-N 2.85Å
656M40.4Very low29.5Very low54 Ų5499.2 Ų99.227%0.26655%0.553SS.*G310 helixtrans-61.7-23.8-175.5-93.2-162.172.100115.5P282 L285 K317 L320 I654P282-M656 HydrophobicContact CG-CE 4.43Å; L285-M656 HydrophobicContact CD1-CE 3.61Å; L285-M656 HydrophobicContact CD1-SD 4.19Å; L285-M656 HydrophobicContact CD2-CE 3.4Å; L285-M656 VanDerWaalsContact CD2-CE 3.4Å; L285-M656 HydrophobicContact CG-CE 4.13Å; K317-M656 HydrophobicContact CB-SD 4.4Å; L320-M656 HydrophobicContact CB-CE 4.27Å; L320-M656 HydrophobicContact CD1-CE 3.61Å; I654-M656 PolarHBondContact O-N 2.89Å
657F36.8Very low29.6Very low50 Ų50100.1 Ų100.122%0.21956%0.558CS.*G310 helixtrans-102.98.6172.2-69.2-67000112.7T180 A183 N316 L320 G655T180-F657 HydrophobicContact CG2-CD1 3.79Å; T180-F657 HydrophobicContact CG2-CE1 4.37Å; A183-F657 HydrophobicContact CB-CE1 4.43Å; A183-F657 HydrophobicContact CB-CZ 4.39Å; N316-F657 VanDerWaalsContact ND2-CE2 3.31Å; N316-F657 WeakPolarHBondContact ND2-CE2 3.33Å; N316-F657 WeakPolarHBondContact OD1-CE2 3.47Å; N316-F657 WeakPolarHBondContact OD1-CZ 3.32Å; L320-F657 HydrophobicContact CD1-CE1 4.24Å; L320-F657 HydrophobicContact CD1-CZ 4.18Å; G655-F657 PolarHBondContact O-N 2.74Å; G655-F657 VanDerWaalsContact O-N 3.13Å
658K31.6Very low29.7Very low113 Ų113101.9 Ų101.949%0.49156%0.561SS.*SBendtrans-109.216.2-166-137.9-165.7-174.4-160.90114.6R623 C624 G655R623-K658 VanDerWaalsContact O-CE 3.24Å; R623-K658 WeakPolarHBondContact O-CE 3.29Å; R623-K658 PolarHBondContact O-NZ 2.85Å; C624-K658 PolarHBondContact O-NZ 2.66Å; C624-K658 VanDerWaalsContact O-NZ 3.08Å; G655-K658 WeakPolarHBondContact O-CA 3.48Å; G655-K658 WeakPolarHBondContact O-CB 3.34Å; G655-K658 PolarHBondContact O-N 2.85Å
659T28.2Very low29.5Very low54 Ų54103 Ų10333%0.33156%0.563SS.*SBendtrans-119161.5154.149.70000108.6K462K462-T659 HydrophobicContact CD-CG2 4.17Å; K462-T659 WeakPolarHBondContact CD-OG1 3.45Å; K462-T659 PolarHBondContact NZ-OG1 3.29Å
660Y32.9Very low29.5Very low40 Ų40105.2 Ų105.216%0.15757%0.566CS.*SBendtrans83.529.8-171.7-45.2-43.4000116.3K462 D463 D466K462-Y660 HydrophobicContact CB-CD1 4.49Å; K462-Y660 HydrophobicContact CB-CE1 3.4Å; K462-Y660 VanDerWaalsContact CB-CE1 3.4Å; K462-Y660 WeakPolarHBondContact CB-OH 3.38Å; K462-Y660 HydrophobicContact CD-CE1 4.44Å; K462-Y660 PolarHBondContact O-OH 3.06Å; D463-Y660 HydrophobicContact CB-CD1 4.45Å; D463-Y660 HydrophobicContact CB-CE1 4Å; D463-Y660 VanDerWaalsContact OD1-CD1 3.31Å; D463-Y660 WeakPolarHBondContact OD1-CD1 3.47Å; D463-Y660 WeakPolarHBondContact OD1-CE1 3.32Å; D463-Y660 WeakPolarHBondContact OD2-CD1 3.33Å; D463-Y660 WeakPolarHBondContact OD2-CE1 3.24Å; D466-Y660 PolarHBondContact OD2-OH 3.02Å
661S28.5Very low29.3Very low63 Ų63110.6 Ų110.644%0.44159%0.585SS.*  trans-151.478.8155.9-71.40000108.5R184 D663R184-S661 PolarHBondContact NH1-OG 3.25Å; S661-D663 VanDerWaalsContact C-N 3.29Å; S661-D663 PolarHBondContact O-N 3.38Å
662D28.9Very low29.3Very low138 Ų138113.9 Ų113.974%0.73859%0.593SS**  trans-73.585.5172.9-81.4-22.9000109.4S664D662-S664 PolarHBondContact O-N 2.96Å
663D29.7Very low29.1Very low136 Ų136114.2 Ų114.273%0.72760%0.599SS**  trans-71.955.6157.9-69.6-43.6000108.7S661S661-D663 VanDerWaalsContact C-N 3.29Å; S661-D663 PolarHBondContact O-N 3.38Å
664S29.5Very low28.5Very low72 Ų72111.9 Ų111.950%0.50360%0.604SS.*  trans-106.758.8-177.262.60000112.1D662 S666D662-S664 PolarHBondContact O-N 2.96Å; S664-S666 PolarHBondContact O-N 2.91Å
665D27.3Very low28.1Very low177 Ų177112.8 Ų112.895%0.94762%0.617SS**  trans-65.270.4158.2-86.4-33.6000109.6
666S24.8Very low27.5Very low80 Ų80120.1 Ų120.156%0.55965%0.653SS**  trans-135.281.7-17565.20000112.4S664S664-S666 PolarHBondContact O-N 2.91Å
667N25.7Very low26.8Very low156 Ų156120.7 Ų120.783%0.83467%0.672SS**  trans58.758.9146.4-57.9-31.6000118.4
668H24.5Very low26.3Very low189 Ų189127.3 Ų127.388%0.87570%0.701SS**  trans-90.2101.8143.8-88.1-50.5000110.1Y670H668-Y670 PolarHBondContact O-N 2.88Å
669S21.3Very low26Very low113 Ų113130.3 Ų130.379%0.7972%0.721SS**  trans-73.8102.8-174.255.90000112.6
670Y24.2Very low25.9Very low217 Ų217131.8 Ų131.885%0.85173%0.734SS**  trans-105.2131.2149.1-75.2-78.6000108.6H668 T672H668-Y670 PolarHBondContact O-N 2.88Å; Y670-T672 PolarHBondContact O-N 2.89Å
671E22Very low25.7Very low202 Ų202138.1 Ų138.194%0.94476%0.762SS**  trans-65121.4-174.2-64179.3112.800111.1
672T24.7Very low25.9Very low130 Ų130144.3 Ų144.380%0.79878%0.784SS**  trans-142.4122.1160-620000108.6Y670 V674Y670-T672 PolarHBondContact O-N 2.89Å; T672-V674 PolarHBondContact O-N 2.94Å
673V23.9Very low26.1Very low129 Ų129145.4 Ų145.478%0.78279%0.786SS**  trans-69.5112.3-173.4176.10000110.1S675V673-S675 PolarHBondContact O-N 2.84Å
674V24.1Very low26.3Very low137 Ų137146.5 Ų146.583%0.8379%0.787SS**  trans-65.5105.1171.6179.60000109.1T672T672-V674 PolarHBondContact O-N 2.94Å
675S24.2Very low27.2Very low102 Ų102149.8 Ų149.871%0.71380%0.799SS**  trans-127.1133.9165.352.50000108.2V673 G677V673-S675 PolarHBondContact O-N 2.84Å; S675-G677 PolarHBondContact O-N 2.95Å
676N25.1Very low28.1Very low170 Ų170144 Ų14491%0.90977%0.772SS**SBendtrans-67.2120.9-164.4-73.5-27.4000112.9
677G25.5Very low29.8Very low66 Ų66141 Ų14168%0.6875%0.75SS**  trans133.193.6151.300000117.1S675S675-G677 PolarHBondContact O-N 2.95Å
678K24.8Very low31.4Very low190 Ų190138.6 Ų138.683%0.82674%0.736SS**  trans-178.494.6139.4-101.5157.1-175.1173.30111.6
679I26.6Very low33.1Very low175 Ų175130.2 Ų130.290%0.89770%0.698SS**  trans-9779.7159.8-59176.1000106.5
680S25.3Very low34.7Very low86 Ų86128.5 Ų128.560%0.60168%0.678SS**  trans-173.585.1178.358.20000111.1
681K29.8Very low36.2Very low173 Ų173119.2 Ų119.275%0.75265%0.645SS**SBendtrans-176.1-13148.8-110.1-179.4179.3-151.70117.7
682E32.9Very low37.6Very low193 Ų193115.3 Ų115.390%0.90263%0.631SS**SBendtrans-94.911.1-179.3-62.5-177.2152.800113.9
683M31.9Very low39Very low161 Ų161115.4 Ų115.479%0.79362%0.62SS**  trans-111.711.2-175-89.717866.600114.1
684E35.1Very low40.1Very low158 Ų158115 Ų11574%0.73862%0.621SS**SBendtrans-85.6-16.7-172.7-63-173.9138.400113.9
685D47.2Very low41.6Very low142 Ų142110 Ų11076%0.75959%0.589SS**SBendtrans-113.37.9-175-71.8-41.9000115.7
686C45.9Very low43.1Very low55 Ų55107.5 Ų107.537%0.37257%0.57SS.*  trans-81.6130.9-179.7-66.80000113.1P569 L688P569-C686 HydrophobicContact CG-CB 4.39Å; C686-L688 PolarHBondContact O-N 2.77Å
687I61.7Low44.5Very low18 Ų18106.2 Ų106.29%0.09256%0.563CS.*EExtended strand (participates in β ladder)trans-88.8110.8174.3-55.5179.4000110.2Q568 P569 V570 D571 V689 P696 L699Q568-I687 HydrophobicContact CG-CD1 4.37Å; P569-I687 PolarHBondContact O-N 2.81Å; V570-I687 CarbonylContact C-O 3.49Å; V570-I687 WeakPolarHBondContact CA-O 3.42Å; D571-I687 PolarHBondContact N-O 2.98Å; I687-V689 HydrophobicContact CG2-CG2 4.03Å; I687-P696 HydrophobicContact CG2-CG 3.85Å; I687-L699 HydrophobicContact CD1-CD1 4.26Å; I687-L699 HydrophobicContact CD1-CD2 3.94Å; I687-L699 HydrophobicContact CD1-CG 3.99Å; I687-L699 HydrophobicContact CG2-CD1 3.82Å; I687-L699 HydrophobicContact CG2-CG 4.45Å
688L58.7Low45.9Very low105 Ų105106.5 Ų106.555%0.5555%0.554SS.*EExtended strand (participates in β ladder)trans-83.1114.9171.6-176.369.7000111D571 C686 Q690D571-L688 HydrophobicContact CB-CD1 3.97Å; C686-L688 PolarHBondContact O-N 2.77Å; L688-Q690 HydrophobicContact CD2-CG 4.41Å; L688-Q690 HydrophobicContact CG-CG 4.26Å
689V59.5Low47.3Very low12 Ų1297.6 Ų97.67%0.07352%0.515CS..EExtended strand (participates in β ladder)trans-107.9125.9174.1-178.30000109.1V570 D571 F572 I687 L695 L699V570-V689 HydrophobicContact CG1-CB 4.34Å; V570-V689 HydrophobicContact CG1-CG2 3.69Å; D571-V689 PolarHBondContact O-N 2.73Å; F572-V689 HydrophobicContact CD2-CB 4.03Å; F572-V689 HydrophobicContact CD2-CG1 3.8Å; F572-V689 WeakPolarHBondContact CD2-O 3.17Å; F572-V689 HydrophobicContact CE2-CG1 4.01Å; I687-V689 HydrophobicContact CG2-CG2 4.03Å; V689-L695 HydrophobicContact CG1-CD2 4.34Å; V689-L699 HydrophobicContact CG2-CD1 3.75Å
690Q55.7Low48.7Very low78 Ų7891.8 Ų91.836%0.36449%0.494SS..EExtended strand (participates in β ladder)trans-113.5138.2179.3-63.1-169.1-4800111.1L688 N692 K693L688-Q690 HydrophobicContact CD2-CG 4.41Å; L688-Q690 HydrophobicContact CG-CG 4.26Å; Q690-N692 PolarHBondContact O-N 3.38Å; Q690-K693 HydrophobicContact CB-CD 4.19Å; Q690-K693 HydrophobicContact CB-CG 4.47Å; Q690-K693 PolarHBondContact O-N 3.35Å; Q690-K693 VanDerWaalsContact O-N 3.15Å
691A55.1Low49.8Very low21 Ų2195.6 Ų95.617%0.17450%0.502CS..THydrogen-bonded Turntrans-54.6133.7175.300000111.6R239 F572R239-A691 HydrophobicContact CB-CB 4.5Å; R239-A691 HydrophobicContact CG-CB 4.15Å; F572-A691 HydrophobicContact CZ-CB 3.9Å
692N52.6Low50.5Low120 Ų12093.5 Ų93.564%0.64249%0.493SS*.THydrogen-bonded Turntrans68.320.8-176.5-40.6-71.4000116.1Q690Q690-N692 PolarHBondContact O-N 3.38Å
693K52.4Low51.2Low133 Ų13384.9 Ų84.958%0.57845%0.452SS*.SBendtrans-110.3153.4163-70.8-171.3179.8170.70110.8Q690Q690-K693 HydrophobicContact CB-CD 4.19Å; Q690-K693 HydrophobicContact CB-CG 4.47Å; Q690-K693 PolarHBondContact O-N 3.35Å; Q690-K693 VanDerWaalsContact O-N 3.15Å
694P48.8Very low51.8Low121 Ų12182 Ų8279%0.78644%0.444SS*.PPolyproline II helixtrans-60.3147.3169.727.4-34.8000110.4
695L55.2Low52Low32 Ų3278.2 Ų78.217%0.16843%0.433CS..PPolyproline II helixtrans-66.2143.1172.3-75133.5000109.8V689 L699 Y703 P705V689-L695 HydrophobicContact CG1-CD2 4.34Å; L695-L699 HydrophobicContact CB-CB 4.37Å; L695-L699 HydrophobicContact CD2-CB 3.97Å; L695-L699 HydrophobicContact CD2-CD1 4.17Å; L695-Y703 HydrophobicContact CD2-CD2 4.39Å; L695-Y703 HydrophobicContact CD2-CG 4.21Å; L695-P705 HydrophobicContact CD1-CB 4.08Å
696P56.1Low51.7Low48 Ų4875.2 Ų75.231%0.31242%0.421SS..PPolyproline II helixtrans-57.1149.1168.5-2536.1000111.5I687 C698 L699 A700I687-P696 HydrophobicContact CG2-CG 3.85Å; P696-C698 PolarHBondContact O-N 2.82Å; P696-C698 VanDerWaalsContact O-N 3.14Å; P696-L699 CarbonylContact O-C 3.53Å; P696-L699 WeakPolarHBondContact O-CA 3.48Å; P696-L699 PolarHBondContact O-N 3.44Å; P696-A700 PolarHBondContact O-N 3.28Å
697D53.8Low51.2Low144 Ų14479 Ų7977%0.7744%0.443SS*.Hα-helixtrans-56.7-36.9-171.3-57.9-40000113.3L699 A700D697-L699 PolarHBondContact O-N 3.35Å; D697-A700 PolarHBondContact O-N 3.09Å; D697-A700 VanDerWaalsContact O-N 3.12Å
698C54.6Low49.9Very low72 Ų7284.9 Ų84.949%0.48647%0.47SS..Hα-helixtrans-65.5-15.3175560000114.8P696 F702P696-C698 PolarHBondContact O-N 2.82Å; P696-C698 VanDerWaalsContact O-N 3.14Å; C698-F702 WeakPolarHBondContact O-CD2 3.37Å; C698-F702 WeakPolarHBondContact O-CE2 3.37Å
699L55Low48.7Very low3 Ų386.6 Ų86.62%0.01648%0.479CS..Hα-helixtrans-103.6-25.3169.6-62.3-170.4000111.9V570 I687 V689 L695 P696 D697 E701 F702 Y703V570-L699 HydrophobicContact CG1-CD1 4.35Å; V570-L699 HydrophobicContact CG2-CD1 4.45Å; I687-L699 HydrophobicContact CD1-CD1 4.26Å; I687-L699 HydrophobicContact CD1-CD2 3.94Å; I687-L699 HydrophobicContact CD1-CG 3.99Å; I687-L699 HydrophobicContact CG2-CD1 3.82Å; I687-L699 HydrophobicContact CG2-CG 4.45Å; V689-L699 HydrophobicContact CG2-CD1 3.75Å; L695-L699 HydrophobicContact CB-CB 4.37Å; L695-L699 HydrophobicContact CD2-CB 3.97Å; L695-L699 HydrophobicContact CD2-CD1 4.17Å; P696-L699 CarbonylContact O-C 3.53Å; P696-L699 WeakPolarHBondContact O-CA 3.48Å; P696-L699 PolarHBondContact O-N 3.44Å; D697-L699 PolarHBondContact O-N 3.35Å; L699-E701 PolarHBondContact O-N 3.05Å; L699-F702 PolarHBondContact O-N 3.08Å; L699-Y703 HydrophobicContact CB-CD2 3.91Å; L699-Y703 HydrophobicContact CB-CE2 4.4Å; L699-Y703 HydrophobicContact CD2-CD2 4.44Å; L699-Y703 HydrophobicContact CD2-CE2 4.13Å; L699-Y703 WeakPolarHBondContact O-CB 3.19Å; L699-Y703 WeakPolarHBondContact O-CD2 3.15Å; L699-Y703 PolarHBondContact O-N 3.34Å
700A55.2Low48.1Very low53 Ų5389.6 Ų89.644%0.43850%0.497SS..Hα-helixtrans-61.6-26.4-179.500000113.6P696 D697 F702P696-A700 PolarHBondContact O-N 3.28Å; D697-A700 PolarHBondContact O-N 3.09Å; D697-A700 VanDerWaalsContact O-N 3.12Å; A700-F702 VanDerWaalsContact C-N 3.28Å; A700-F702 PolarHBondContact O-N 2.85Å
701E48Very low47.2Very low166 Ų16689.7 Ų89.778%0.77650%0.495SS*.THydrogen-bonded Turntrans-68-24.6172.7-171.3167.3-139.400113.3L699L699-E701 PolarHBondContact O-N 3.05Å
702F45.2Very low46Very low128 Ų12892.7 Ų92.756%0.56152%0.515SS*.THydrogen-bonded Turntrans-109.8-23.8-177.1-53.7-76.4000114.1I247 C698 L699 A700I247-F702 HydrophobicContact CD1-CB 3.48Å; I247-F702 VanDerWaalsContact CD1-CB 3.48Å; I247-F702 HydrophobicContact CD1-CD1 4.37Å; I247-F702 HydrophobicContact CD1-CD2 4.4Å; I247-F702 HydrophobicContact CD1-CG 3.85Å; C698-F702 WeakPolarHBondContact O-CD2 3.37Å; C698-F702 WeakPolarHBondContact O-CE2 3.37Å; L699-F702 PolarHBondContact O-N 3.08Å; A700-F702 VanDerWaalsContact C-N 3.28Å; A700-F702 PolarHBondContact O-N 2.85Å
703Y48.5Very low44.8Very low12 Ų1292.8 Ų92.85%0.04752%0.515CS..  trans-121.1106.4-174.3-68.8-89.1000111.2P244 A245 I247 L695 L699 P705P244-Y703 HydrophobicContact CB-CD1 4.05Å; P244-Y703 HydrophobicContact CB-CE1 3.51Å; A245-Y703 VanDerWaalsContact O-CE1 3.23Å; A245-Y703 WeakPolarHBondContact O-CE1 3.35Å; A245-Y703 PolarHBondContact O-OH 3.12Å; A245-Y703 VanDerWaalsContact O-OH 3.08Å; I247-Y703 HydrophobicContact CD1-CD2 4.26Å; I247-Y703 HydrophobicContact CD1-CE2 3.52Å; I247-Y703 HydrophobicContact CG1-CE2 4.06Å; L695-Y703 HydrophobicContact CD2-CD2 4.39Å; L695-Y703 HydrophobicContact CD2-CG 4.21Å; L699-Y703 HydrophobicContact CB-CD2 3.91Å; L699-Y703 HydrophobicContact CB-CE2 4.4Å; L699-Y703 HydrophobicContact CD2-CD2 4.44Å; L699-Y703 HydrophobicContact CD2-CE2 4.13Å; L699-Y703 WeakPolarHBondContact O-CB 3.19Å; L699-Y703 WeakPolarHBondContact O-CD2 3.15Å; L699-Y703 PolarHBondContact O-N 3.34Å; Y703-P705 WeakPolarHBondContact O-CD 3.43Å
704T43.2Very low43.5Very low100 Ų10095.8 Ų95.861%0.61353%0.528SS*.PPolyproline II helixtrans-69.6121.5157.335.90000109
705P39Very low42.3Very low79 Ų7994.8 Ų94.851%0.51352%0.524SS..PPolyproline II helixtrans-61.7145175.224.2-32.3000110.3L695 Y703 T707L695-P705 HydrophobicContact CD1-CB 4.08Å; Y703-P705 WeakPolarHBondContact O-CD 3.43Å; P705-T707 PolarHBondContact O-N 3.17Å; P705-T707 VanDerWaalsContact O-N 3.08Å; P705-T707 PolarHBondContact O-OG1 2.97Å
706P40.9Very low41Very low80 Ų8098.5 Ų98.552%0.51955%0.553SS.*PPolyproline II helixtrans-56118.8-177.421.9-32.7000110.2E708P706-E708 PolarHBondContact O-N 3.15Å
707T35.2Very low39.4Very low134 Ų134103.2 Ų103.282%0.82258%0.581SS**SBendtrans-8544.4-154.7-33.20000114.1P705P705-T707 PolarHBondContact O-N 3.17Å; P705-T707 VanDerWaalsContact O-N 3.08Å; P705-T707 PolarHBondContact O-OG1 2.97Å
708E36Very low38Very low142 Ų142107.6 Ų107.666%0.66459%0.587SS**SBendtrans-161.3137.1163.8-117.5166.2-138.100109.6P706 V710P706-E708 PolarHBondContact O-N 3.15Å; E708-V710 PolarHBondContact O-N 2.96Å
709L33.4Very low36.7Very low140 Ų140110.2 Ų110.273%0.73360%0.602SS**  trans-68.899.5173.7-93.8164.5000109.4Y711L709-Y711 PolarHBondContact O-N 3.02Å
710V46.7Very low35Very low76 Ų76115.5 Ų115.546%0.46164%0.64SS.*SBendtrans-58.9-10.9177.6-166.20000112.5L238 E708L238-V710 HydrophobicContact CD1-CG1 4.42Å; L238-V710 HydrophobicContact CD2-CG1 3.92Å; E708-V710 PolarHBondContact O-N 2.96Å
711Y37.1Very low33.6Very low79 Ų79121.3 Ų121.331%0.3166%0.663SS.*  trans-127.599172.5-129.4-101000112.1R231 L235 L238 L709 N713R231-Y711 PolarHBondContact NH2-OH 3.22Å; L235-Y711 HydrophobicContact CD2-CD2 3.92Å; L235-Y711 HydrophobicContact CD2-CE1 4.24Å; L235-Y711 HydrophobicContact CD2-CE2 3.43Å; L235-Y711 VanDerWaalsContact CD2-CE2 3.43Å; L235-Y711 HydrophobicContact CG-CE2 4.05Å; L238-Y711 HydrophobicContact CD1-CD2 4.19Å; L238-Y711 HydrophobicContact CD1-CE2 4.18Å; L709-Y711 PolarHBondContact O-N 3.02Å; Y711-N713 WeakPolarHBondContact CD1-OD1 3.4Å
712S29.1Very low32.4Very low85 Ų85118.5 Ų118.559%0.59466%0.661SS**  trans-93.3109.516578.70000110.2K714S712-K714 PolarHBondContact O-N 2.79Å
713N27.4Very low31.5Very low122 Ų122119.3 Ų119.365%0.65267%0.671SS**  trans-71.984.2176.6-89.2-13.1000111.8Y711 S715Y711-N713 WeakPolarHBondContact CD1-OD1 3.4Å; N713-S715 PolarHBondContact O-N 3.11Å
714K24.7Very low30.4Very low195 Ų195126 Ų12685%0.84870%0.702SS**  trans-91.972.2170.7-71-171.8177.6-179.10111.4S712S712-K714 PolarHBondContact O-N 2.79Å
715S25Very low29.5Very low100 Ų100128 Ų12870%0.69971%0.71SS**  trans-154.764.3175.964.40000113.7N713N713-S715 PolarHBondContact O-N 3.11Å
716S26.2Very low29Very low111 Ų111129.1 Ų129.178%0.77673%0.725SS**  trans-147.437.5174.454.60000113.7R718S716-R718 PolarHBondContact O-N 2.74Å
717T23.6Very low28.2Very low146 Ų146133.3 Ų133.390%0.89674%0.743SS**  trans-68.699.9167.722.60000111.1
718R24.9Very low27.9Very low237 Ų237132 Ų13289%0.89474%0.74SS**  trans-129.3143.9153.2-93.9-171.7169.7-176.2-3.1109.6S716S716-R718 PolarHBondContact O-N 2.74Å
719P25.8Very low27.5Very low126 Ų126130.9 Ų130.982%0.81874%0.743SS**  trans-75.5157.9-169.131.1-36.2000112.8
720S20.7Very low27.1Very low115 Ų115132 Ų13280%0.80475%0.749SS**  trans-63.6137.5175.751.90000113.5
721L25.8Very low26.2Very low174 Ų174133 Ų13391%0.91176%0.759SS**  trans-139.7129.9145.4-96.6172.8000108.6
722S21.2Very low25.7Very low107 Ų107135.3 Ų135.375%0.74878%0.777SS**  trans-91.3149.3173460000110.7
723L27.7Very low25.4Very low145 Ų145139.9 Ų139.976%0.75979%0.786SS**  176.4116.4110.3-162.965.2000112.1
724E23.9Very low25.1Very low152 Ų152145.3 Ų145.371%0.7180%0.798SS**  trans35134.1144.8-64.1-176.2153.800125.3
725N25.6Very low25Very low144 Ų144141.3 Ų141.377%0.7780%0.795SS**  trans67.4112.7133.1-57.1-13.7000122.8
726A29.1Very low25Very low102 Ų102145.5 Ų145.584%0.84380%0.803SS**  -177.8150.4108.100000112.3
727D24Very low24.7Very low168 Ų168146.4 Ų146.490%0.89881%0.809SS**  trans-93.6152.6-167.3-60.1-83.1000117.2
728S28.7Very low24.6Very low107 Ų107145.8 Ų145.875%0.74881%0.805SS**  trans-157.5106.7137.967.60000114.9
729T27.7Very low24.5Very low118 Ų118140.6 Ų140.672%0.72480%0.8SS**  trans56.3119.2143.358.50000123
730L24.4Very low24.4Very low163 Ų163141.6 Ų141.685%0.85380%0.797SS**  trans62.9133.2139.3-59.5166.1000119
731S28Very low24.5Very low98 Ų98141.6 Ų141.669%0.68579%0.792SS**  cis-153.1125.4-0.452.20000109.1
732N25.7Very low24.4Very low127 Ų127138 Ų13868%0.67978%0.781SS**  58.6131.786.4-79.91000114.8
733F23.9Very low24.6Very low180 Ų180140.3 Ų140.379%0.78979%0.785SS**  cis-140.2160.714.2-102.9-69000114.6
734W20.3Very low24.7Very low236 Ų236139.5 Ų139.589%0.89479%0.792SS**  trans-124174164.1-11520.3000109.2
735S22.5Very low24.8Very low112 Ų112138.2 Ų138.278%0.78380%0.799SS**  trans106.1129.2147.7-56.10000119.9
736Q24.4Very low25Very low188 Ų188134.8 Ų134.888%0.87980%0.798SS**  trans-76.8165.5155.1-58.2162.7-44.600110.4
737S21.6Very low24.9Very low129 Ų129137.2 Ų137.290%0.90280%0.797SS**  trans-167.7156.3148.5-91.50000112.4
738T20.2Very low25.1Very low133 Ų133135.5 Ų135.582%0.81679%0.786SS**  trans-97137.517931.30000113
739V23.4Very low25.1Very low129 Ų129137.7 Ų137.778%0.78278%0.782SS**  trans27.7121.4149.5-150.10000119.5
740I22.7Very low25.1Very low147 Ų147142.2 Ų142.275%0.75479%0.786SS**  175.1116.8116-88.9170.4000112.7
741T23.1Very low25.3Very low115 Ų115140.4 Ų140.471%0.70678%0.778SS**  trans38.9135153.763.80000125.5
742S24.1Very low25.5Very low98 Ų98142.6 Ų142.669%0.68578%0.78SS**  trans67144.8140.261.50000120.8
743D24.7Very low25.6Very low155 Ų155142.4 Ų142.483%0.82978%0.779SS**  cis-165.4156.9-13.8-105.5-26.5000111.2
744S30.5Very low25.6Very low128 Ų128142.3 Ų142.390%0.89578%0.781SS**  trans147.8154.9144.958.70000115.5
745S26.2Very low26.1Very low125 Ų125136.9 Ų136.987%0.87478%0.776SS**  trans-117.6175.2-171.659.50000112.1
746G29.7Very low26.3Very low72 Ų72139.5 Ų139.574%0.74278%0.781SS**  cis-163.8-150.75.200000109.5
747N27.3Very low26.3Very low154 Ų154137.2 Ų137.282%0.82478%0.78SS**  cis-169.4178.810.8-165.1-15.3000109.4
748I28.5Very low26.3Very low131 Ų131138.1 Ų138.167%0.67278%0.775SS**  trans77.4128.1166.6-62174.7000115.7
749K28.1Very low26.6Very low153 Ų153138.5 Ų138.567%0.66578%0.777SS**  cis-163.1140.9-8.3-109.4172.4-158.6157.80104.9
750R28.6Very low26.6Very low213 Ų213139.9 Ų139.980%0.80478%0.78SS**  cis-177.7164.949.8-100.3144.2175.1163.7-4105.3
751N27.7Very low26.8Very low126 Ų126139.5 Ų139.567%0.67479%0.785SS**  cis-177.5151.2-12.4-105.938.7000103.6
752I31.4Very low26.9Very low143 Ų143137.7 Ų137.773%0.73379%0.788SS**  cis-141.7122.818.7-58.9178000110.1
753N27.7Very low27.2Very low124 Ų124140.5 Ų140.566%0.66379%0.794SS**  25.5153129.9-43.823.7000121.3
754E25.2Very low27.4Very low178 Ų178141.6 Ų141.683%0.83279%0.794SS**  cis-176.8168.8-34.9-114.5-176.3152.200108.4
755P31.5Very low27.3Very low122 Ų122140.4 Ų140.479%0.79279%0.786SS**  trans-93.5-176.8-169.437.8-36.4000116.4
756L24.6Very low27.3Very low166 Ų166142.8 Ų142.887%0.86979%0.788SS**  trans-73135.6-167.7-68.2150.7000116.2
757T24.5Very low27.1Very low141 Ų141142.6 Ų142.687%0.86579%0.786SS**  trans-144.9163.1138.343.80000110.3
758N22.5Very low27Very low148 Ų148142 Ų14279%0.79179%0.788SS**  trans-88.9134.9-164.3-66.9-40.8000115.3
759T26.3Very low27.3Very low140 Ų140140.3 Ų140.386%0.85979%0.786SS**  trans-138.9126.2142.750.20000110.1
760N24.3Very low27.1Very low159 Ų159139.9 Ų139.985%0.8579%0.791SS**  trans-98.4129.4180-86.6-26.5000111.4
761T27.2Very low26.8Very low139 Ų139134.8 Ų134.885%0.85379%0.788SS**  trans-145.3109.1162.3530000111.5
762G25.3Very low26.6Very low76 Ų76138 Ų13878%0.78480%0.798SS**  trans82.1131.4178.200000113.6
763I28.5Very low26.1Very low158 Ų158136.6 Ų136.681%0.8180%0.802SS**  cis-132.6159.55.3-69.7176.9000110.1
764Q29.1Very low25.9Very low177 Ų177134.3 Ų134.383%0.82781%0.807SS**  trans-32.4152164.9-66.3148.4-6.200115.1
765S29.1Very low25.8Very low103 Ų103132.6 Ų132.672%0.7281%0.809SS**  cis-168.1171.42.9410000112.7
766L26.2Very low25.4Very low175 Ų175134.3 Ų134.392%0.91681%0.811SS**  trans-29.8155.8164.5-48.699.5000117.1
767G26.4Very low25.3Very low69 Ų69132.6 Ų132.671%0.71181%0.807SS**  cis162.6147.3-5.500000114.4
768V24.6Very low25.3Very low140 Ų140137.5 Ų137.585%0.84881%0.81SS**  trans22.8136.8136.1-178.60000119.3
769P34.9Very low25.2Very low97 Ų97135.7 Ų135.763%0.6381%0.809SS**  cis-145.9-159.8-2443.4-22.4000115
770N22.9Very low25.1Very low144 Ų144134.1 Ų134.177%0.7780%0.803SS**  trans79.9127.2150.7-72.62.9000122.9
771S23.7Very low24.9Very low106 Ų106131.2 Ų131.274%0.74180%0.796SS**  trans33.2123.3144.461.90000121.8
772E22.6Very low24.8Very low192 Ų192130.8 Ų130.890%0.89779%0.793SS**  -159.9171.6108.3-120.5175.8-15100113.2
773S21.3Very low24.5Very low115 Ų115132.3 Ų132.380%0.80479%0.791SS**  trans-80.1136.6-178.354.20000113
774G24.4Very low24.4Very low75 Ų75128.9 Ų128.977%0.77378%0.781SS**  trans-144.391177.800000113.5L776G774-L776 PolarHBondContact O-N 2.94Å
775T21.7Very low24Very low143 Ų143132.4 Ų132.488%0.87779%0.787SS**  trans-69.1110.3176.9-41.50000110.8
776L23.7Very low23.9Very low158 Ų158135.9 Ų135.983%0.82778%0.784SS**  trans-143.5118.6166.3-113.6174.1000112.9G774 R778G774-L776 PolarHBondContact O-N 2.94Å; L776-R778 PolarHBondContact O-N 2.84Å
777T22Very low24Very low129 Ų129130.5 Ų130.579%0.79176%0.761SS**  trans-58.9128.5176.549.40000112.2
778R24Very low24Very low244 Ų244131.7 Ų131.792%0.92176%0.755SS**  trans-148.4101.3156.1-146.2170.7162.8-176.9-7113.2L776L776-R778 PolarHBondContact O-N 2.84Å
779S21.1Very low24.3Very low110 Ų110127.9 Ų127.977%0.76973%0.73SS**  trans-61.7129.5172.251.10000112.2
780S23.6Very low24.2Very low107 Ų107127.4 Ų127.475%0.74872%0.722SS**  trans-12066.7163.663.70000110.3V782S780-V782 PolarHBondContact O-N 3.17Å
781S20.9Very low24.6Very low99 Ų99121.7 Ų121.769%0.69269%0.692SS**  trans-7086.6176.752.80000111.3S783S781-S783 PolarHBondContact O-N 2.78Å
782V23.9Very low24.9Very low130 Ų130118.4 Ų118.479%0.78867%0.666SS**  trans-8274.4169.8-174.20000108.9S780 S784S780-V782 PolarHBondContact O-N 3.17Å; V782-S784 VanDerWaalsContact C-N 3.26Å; V782-S784 PolarHBondContact O-N 3.02Å
783S20.9Very low25.5Very low107 Ų107112.2 Ų112.275%0.74864%0.637SS**  trans-75.373.517857.50000111.4S781 R785S781-S783 PolarHBondContact O-N 2.78Å; S783-R785 PolarHBondContact O-N 3.4Å
784S24.8Very low26.2Very low87 Ų87108.1 Ų108.161%0.60861%0.606SS**  trans-70.8114.8167.256.20000109.5V782 R786V782-S784 VanDerWaalsContact C-N 3.26Å; V782-S784 PolarHBondContact O-N 3.02Å; S784-R786 PolarHBondContact O-N 2.96Å
785R22.3Very low26.6Very low250 Ų250106 Ų10694%0.94358%0.578SS**  trans-64.5102.8172.6-71.6-179.5175.1176.3-1.9108.8S783S783-R785 PolarHBondContact O-N 3.4Å
786R25.9Very low27.3Very low177 Ų177100.2 Ų100.267%0.66854%0.543SS*.  trans-72.5147.9171.9-73.7-176.5171-172.4-4110.9S784 D916S784-R786 PolarHBondContact O-N 2.96Å; R786-D916 WeakPolarHBondContact CD-OD2 3.3Å; R786-D916 IonicContact NH1-OD2 2.78Å; R786-D916 PolarHBondContact NH1-OD2 3.09Å; R786-D916 VanDerWaalsContact NH1-OD2 3.14Å
787S28.7Very low28Very low61 Ų6195.5 Ų95.543%0.42752%0.515SS..  trans-76.9123.8178.6165.50000110.6N789 D790S787-N789 PolarHBondContact O-N 3.29Å; S787-N789 PolarHBondContact OG-N 2.87Å; S787-D790 PolarHBondContact OG-OD1 2.76Å; S787-D790 VanDerWaalsContact OG-OD1 3.06Å
788T26.9Very low28.6Very low95 Ų9591.1 Ų91.158%0.58349%0.486SS*.THydrogen-bonded Turntrans-76.58.1175.852.40000113.9
789N30.8Very low28.9Very low59 Ų5980 Ų8032%0.31645%0.445SS..THydrogen-bonded Turntrans-92-26.8-175-65.4-48.5000113.5S787 T791 L792 Q793S787-N789 PolarHBondContact O-N 3.29Å; S787-N789 PolarHBondContact OG-N 2.87Å; N789-T791 PolarHBondContact O-N 3.22Å; N789-L792 PolarHBondContact O-N 2.77Å; N789-Q793 VanDerWaalsContact O-CG 3.3Å; N789-Q793 WeakPolarHBondContact O-CG 3.42Å; N789-Q793 PolarHBondContact O-N 2.79Å
790D31.3Very low29.3Very low88 Ų8876.4 Ų76.447%0.47142%0.421SS..Hα-helixtrans-69.9-41.1-165.1-57.818.1000111S787 L792 Q793 L794S787-D790 PolarHBondContact OG-OD1 2.76Å; S787-D790 VanDerWaalsContact OG-OD1 3.06Å; D790-L792 PolarHBondContact O-N 3.13Å; D790-Q793 WeakPolarHBondContact O-CB 3.39Å; D790-Q793 PolarHBondContact O-N 2.75Å; D790-L794 PolarHBondContact O-N 3.08Å
791T32.1Very low29.5Very low23 Ų2373.8 Ų73.814%0.14140%0.402CS..Hα-helixtrans-63-40.1175.4-31.10000112.7N789 Q793 L794 L913 V1468N789-T791 PolarHBondContact O-N 3.22Å; T791-Q793 VanDerWaalsContact C-N 3.34Å; T791-L794 PolarHBondContact O-N 3.11Å; T791-L913 VanDerWaalsContact CB-O 3.31Å; T791-L913 WeakPolarHBondContact CB-O 3.4Å; T791-L913 WeakPolarHBondContact CG2-O 3.29Å; T791-V1468 HydrophobicContact CG2-CG1 4.14Å
792L31Very low29.7Very low38 Ų3873 Ų7320%0.19939%0.39CS..Hα-helixtrans-68.8-32.4176.9-67.5175.4000112.3N789 D790 S796 A907N789-L792 PolarHBondContact O-N 2.77Å; D790-L792 PolarHBondContact O-N 3.13Å; L792-S796 WeakPolarHBondContact O-CB 3.37Å; L792-S796 PolarHBondContact O-N 3.42Å; L792-A907 WeakPolarHBondContact CD2-O 3.43Å
793Q33.8Very low29.8Very low61 Ų6173.7 Ų73.729%0.28538%0.382SS..Hα-helixtrans-68-41.7176.8-72.5-77.6-29.400111.8N789 D790 T791 S796 R797N789-Q793 VanDerWaalsContact O-CG 3.3Å; N789-Q793 WeakPolarHBondContact O-CG 3.42Å; N789-Q793 PolarHBondContact O-N 2.79Å; D790-Q793 WeakPolarHBondContact O-CB 3.39Å; D790-Q793 PolarHBondContact O-N 2.75Å; T791-Q793 VanDerWaalsContact C-N 3.34Å; Q793-S796 PolarHBondContact O-N 3.07Å; Q793-R797 WeakPolarHBondContact O-CB 3.28Å; Q793-R797 WeakPolarHBondContact O-CD 3.34Å; Q793-R797 WeakPolarHBondContact O-CG 3.49Å; Q793-R797 PolarHBondContact O-N 2.79Å; Q793-R797 VanDerWaalsContact OE1-CZ 3.31Å
794L36.2Very low30.2Very low30 Ų3074.9 Ų74.916%0.15739%0.385CS..Hα-helixtrans-68.4-48.3-172.7-143.2161.1000111.7D790 T791 S796 R797 L798 V1468D790-L794 PolarHBondContact O-N 3.08Å; T791-L794 PolarHBondContact O-N 3.11Å; L794-S796 VanDerWaalsContact C-N 3.31Å; L794-S796 PolarHBondContact O-N 3.11Å; L794-R797 PolarHBondContact O-N 3.05Å; L794-R797 VanDerWaalsContact O-N 3.1Å; L794-L798 HydrophobicContact CD2-CD1 3.5Å; L794-L798 HydrophobicContact CD2-CG 3.89Å; L794-L798 WeakPolarHBondContact O-CG 3.41Å; L794-L798 PolarHBondContact O-N 2.96Å; L794-V1468 HydrophobicContact CD1-CB 4.45Å; L794-V1468 HydrophobicContact CD1-CG1 4.07Å; L794-V1468 HydrophobicContact CD1-CG2 4.25Å
795V33.1Very low30.1Very low30 Ų3074 Ų7418%0.18239%0.389CS..Hα-helixtrans-65.5-34.2176-172.80000111.9R797 A907 L913 M1005V795-R797 VanDerWaalsContact C-N 3.33Å; V795-R797 PolarHBondContact O-N 3.12Å; V795-A907 HydrophobicContact CB-CB 4.17Å; V795-A907 HydrophobicContact CG1-CB 3.92Å; V795-L913 HydrophobicContact CG1-CD1 4.38Å; V795-L913 HydrophobicContact CG2-CD2 4.26Å; V795-M1005 HydrophobicContact CG1-SD 4.28Å
796S36.1Very low30.1Very low21 Ų2169 Ų6915%0.14738%0.382CS..Hα-helixtrans-66.1-30.3172.6178.10000113.7L792 Q793 L794 S800 L904L792-S796 WeakPolarHBondContact O-CB 3.37Å; L792-S796 PolarHBondContact O-N 3.42Å; Q793-S796 PolarHBondContact O-N 3.07Å; L794-S796 VanDerWaalsContact C-N 3.31Å; L794-S796 PolarHBondContact O-N 3.11Å; S796-S800 PolarHBondContact O-OG 3.36Å; S796-L904 WeakPolarHBondContact OG-CD1 3.45Å
797R38Very low30Very low60 Ų6064 Ų6423%0.22639%0.385CS..Hα-helixtrans-88.1-36.5-176.1-74.9169.6-169.5-151.36.1113.1Q793 L794 V795 S799 S800Q793-R797 WeakPolarHBondContact O-CB 3.28Å; Q793-R797 WeakPolarHBondContact O-CD 3.34Å; Q793-R797 WeakPolarHBondContact O-CG 3.49Å; Q793-R797 PolarHBondContact O-N 2.79Å; Q793-R797 VanDerWaalsContact OE1-CZ 3.31Å; L794-R797 PolarHBondContact O-N 3.05Å; L794-R797 VanDerWaalsContact O-N 3.1Å; V795-R797 VanDerWaalsContact C-N 3.33Å; V795-R797 PolarHBondContact O-N 3.12Å; R797-S799 PolarHBondContact O-N 2.98Å; R797-S800 WeakPolarHBondContact CA-OG 3.49Å; R797-S800 PolarHBondContact O-N 3.43Å; R797-S800 PolarHBondContact O-OG 2.91Å
798L34.9Very low29.7Very low37 Ų3768.1 Ų68.119%0.19440%0.402CS..Hα-helixtrans-56.4-34.5174.9-74.4164.1000111.9L794 S800 I1367L794-L798 HydrophobicContact CD2-CD1 3.5Å; L794-L798 HydrophobicContact CD2-CG 3.89Å; L794-L798 WeakPolarHBondContact O-CG 3.41Å; L794-L798 PolarHBondContact O-N 2.96Å; L798-S800 PolarHBondContact O-N 3.11Å; L798-I1367 HydrophobicContact CD1-CD1 3.93Å; L798-I1367 HydrophobicContact CD1-CG1 3.81Å; L798-I1367 HydrophobicContact CD1-CG2 3.96Å; L798-I1367 HydrophobicContact CD2-CG1 4.11Å; L798-I1367 HydrophobicContact CG-CG1 4.48Å
799S31.2Very low29.6Very low9 Ų971.1 Ų71.16%0.06342%0.415CS..THydrogen-bonded Turntrans-94.533.5173.6-138.30000114.1R797 N900 N903R797-S799 PolarHBondContact O-N 2.98Å; S799-N900 WeakPolarHBondContact O-CB 3.39Å; S799-N900 PolarHBondContact O-OD1 3.17Å; S799-N900 WeakPolarHBondContact OG-CA 3.29Å; S799-N900 PolarHBondContact OG-OD1 3.34Å; S799-N903 WeakPolarHBondContact OG-CB 3.47Å; S799-N903 PolarHBondContact OG-ND2 3.07Å
800S29.1Very low29.3Very low36 Ų3671.8 Ų71.825%0.25242%0.424SS..THydrogen-bonded Turntrans-144.427.417444.40000115.5S796 R797 L798 I802 R864S796-S800 PolarHBondContact O-OG 3.36Å; R797-S800 WeakPolarHBondContact CA-OG 3.49Å; R797-S800 PolarHBondContact O-N 3.43Å; R797-S800 PolarHBondContact O-OG 2.91Å; L798-S800 PolarHBondContact O-N 3.11Å; S800-I802 PolarHBondContact O-N 3.03Å; S800-R864 VanDerWaalsContact CA-NH2 3.31Å
801S26.8Very low29Very low51 Ų5176.6 Ų76.636%0.35744%0.441SS..  trans-88.464.9-160.2560000118S1500S801-S1500 WeakPolarHBondContact CB-O 3.34Å
802I25.8Very low28.6Very low84 Ų8485.2 Ų85.243%0.43148%0.476SS..  trans-135.8108.9177.2-60.5-177.3000114.1S800S800-I802 PolarHBondContact O-N 3.03Å
803F27Very low28.2Very low143 Ų14388.9 Ų88.963%0.62751%0.505SS*.  trans60.8144.7172.7-64.7-63.6000117.1
804V27.3Very low27.8Very low133 Ų13391.2 Ų91.281%0.80653%0.528SS*.  -144169.456.7162.50000112
805G23.2Very low27.1Very low68 Ų6895.6 Ų95.670%0.70156%0.556SS**  trans-103.3-175.4-175.500000117.6
806N22Very low26.7Very low146 Ų146100.9 Ų100.978%0.78159%0.588SS**  trans-71157-164.9-94.2-10.9000117.6
807G23.9Very low26Very low72 Ų72105.6 Ų105.674%0.74262%0.616SS**  trans-177.590.6164.400000113.4
808N23.1Very low25.3Very low147 Ų147108.6 Ų108.679%0.78665%0.646SS**  trans-73.7133.8169-76.5-6.5000110.5
809D24.9Very low24.7Very low158 Ų158112.2 Ų112.285%0.84568%0.675SS**  -159.8165.8128.3-139.2-35000112.7
810S24.5Very low24.4Very low73 Ų73118.1 Ų118.151%0.5171%0.71SS.*  trans-95.5143.9-160.559.20000115.1
811K24Very low24.1Very low189 Ų189126.1 Ų126.182%0.82274%0.741SS**  162.2155117.2-88.7151.6-171.2157.20116.2
812K25.4Very low23.9Very low204 Ų204126.8 Ų126.889%0.88776%0.756SS**  trans76.397.4163.8-70.8-179.7179.7-176.90118.6
813S21.9Very low23.8Very low115 Ų115130.7 Ų130.780%0.80478%0.777SS**  trans-66.5148.6146.4170.50000111.3
814S25.2Very low23.6Very low110 Ų110130.7 Ų130.777%0.76978%0.784SS**  trans-151.5104.3156.562.50000111.4
815T21.7Very low23.5Very low121 Ų121131.9 Ų131.974%0.74279%0.786SS**  trans-24.9130.9168.3-42.60000117.4
816V25Very low23.5Very low141 Ų141134.6 Ų134.686%0.85578%0.784SS**  trans-135141.3146.6-179.60000108.3
817T22Very low23.7Very low121 Ų121132 Ų13274%0.74278%0.777SS**  trans-88.8161.3-172.646.90000113.9
818S22.9Very low24Very low122 Ų122136.1 Ų136.185%0.85377%0.77SS**  trans-62.7141.7176.753.50000114.9
819S22.3Very low24.2Very low114 Ų114132 Ų13280%0.79775%0.748SS**  trans-147.7151.7153.461.10000111.7
820T23.8Very low24.6Very low132 Ų132127.5 Ų127.581%0.8173%0.727SS**  trans-86.9122.7-162.1-50.30000114.2
821F24.4Very low24.9Very low205 Ų205126.3 Ų126.390%0.89972%0.718SS**  trans-148152.2149.3-77.1-79.7000107.3
822G22.2Very low25.3Very low64 Ų64121.4 Ų121.466%0.6670%0.704SS**  cis126.588.6800000109.1
823D22.2Very low25.8Very low166 Ų166114.3 Ų114.389%0.88868%0.678SS**  trans42.1106.3-177.8-69.9-26.9000117.6
824D23.2Very low26.2Very low144 Ų144112.4 Ų112.477%0.7766%0.658SS**  trans-153.5140.9152-137.7-23.5000114.8L826D824-L826 VanDerWaalsContact C-N 3.31Å; D824-L826 PolarHBondContact O-N 3.43Å; D824-L826 VanDerWaalsContact O-N 3.13Å
825N24.8Very low26.6Very low158 Ų158113.3 Ų113.385%0.84565%0.654SS**  trans-84.677.7169.4-83.7-60.6000108.6S827N825-S827 PolarHBondContact O-N 3.25Å
826L24.2Very low27Very low125 Ų125113.3 Ų113.365%0.65464%0.644SS**  trans-54.498.2-177.6-84.9164.1000112.6D824 W828D824-L826 VanDerWaalsContact C-N 3.31Å; D824-L826 PolarHBondContact O-N 3.43Å; D824-L826 VanDerWaalsContact O-N 3.13Å; L826-W828 PolarHBondContact O-N 2.88Å
827S27Very low27.4Very low92 Ų92107.8 Ų107.864%0.64362%0.615SS**  trans-80.795.7172.259.40000110N825 D829N825-S827 PolarHBondContact O-N 3.25Å; S827-D829 PolarHBondContact O-N 2.97Å
828W29.7Very low28Very low157 Ų157105.4 Ų105.460%0.59560%0.598SS**  trans-64.44.8180-69.188.9000115L826 T830L826-W828 PolarHBondContact O-N 2.88Å; W828-T830 PolarHBondContact O-N 3.22Å
829D27.8Very low28.6Very low61 Ų61104 Ų10433%0.32658%0.58SS.*THydrogen-bonded Turntrans-76.318-170.3-150.917.9000114S827 K876 R908S827-D829 PolarHBondContact O-N 2.97Å; D829-K876 IonicContact OD1-NZ 3.94Å; D829-K876 WeakPolarHBondContact OD2-CE 3.27Å; D829-K876 IonicContact OD2-NZ 3.19Å; D829-K876 PolarHBondContact OD2-NZ 3.47Å; D829-R908 IonicContact OD1-CZ 2.65Å; D829-R908 VanDerWaalsContact OD1-CZ 3.28Å; D829-R908 IonicContact OD1-NH1 3.72Å; D829-R908 PolarHBondContact OD1-NH1 3.26Å; D829-R908 IonicContact OD1-NH2 3.93Å; D829-R908 PolarHBondContact OD1-NH2 3.04Å; D829-R908 IonicContact OD2-NH1 3.23Å
830T32.5Very low29.2Very low64 Ų64104 Ų10439%0.39357%0.571SS.*THydrogen-bonded Turntrans-137.3-27.6-171.8-31.60000113.6W828 V832 T833 L834W828-T830 PolarHBondContact O-N 3.22Å; T830-V832 PolarHBondContact O-N 2.95Å; T830-T833 PolarHBondContact O-N 3.2Å; T830-L834 HydrophobicContact CG2-CD1 3.55Å; T830-L834 HydrophobicContact CG2-CG 3.95Å; T830-L834 PolarHBondContact O-N 2.99Å
831S31.1Very low29.8Very low47 Ų47105 Ų10533%0.32956%0.564SS.*Hα-helixtrans-67.7-40.3-162.7-500000114.5L834 L835S831-L834 PolarHBondContact O-N 3.14Å; S831-L835 WeakPolarHBondContact O-CB 3.48Å; S831-L835 VanDerWaalsContact O-CG 3.29Å; S831-L835 WeakPolarHBondContact O-CG 3.27Å; S831-L835 PolarHBondContact O-N 2.92Å
832V32.6Very low30.1Very low86 Ų8697.3 Ų97.352%0.52154%0.535SS..Hα-helixtrans-66.9-40.3-179.7-177.40000111.2T830T830-V832 PolarHBondContact O-N 2.95Å
833T34.3Very low30.6Very low56 Ų56102.2 Ų102.234%0.34455%0.547SS..Hα-helixtrans-74-30.2179.8-40.40000112.4T830 G837T830-T833 PolarHBondContact O-N 3.2Å; T833-G837 WeakPolarHBondContact O-CA 3.38Å; T833-G837 PolarHBondContact O-N 3.48Å
834L31.4Very low31.2Very low75 Ų75104.3 Ų104.339%0.39354%0.542SS..Hα-helixtrans-79-38.5173.4-74177.4000113.1T830 S831 F836 G837 D838T830-L834 HydrophobicContact CG2-CD1 3.55Å; T830-L834 HydrophobicContact CG2-CG 3.95Å; T830-L834 PolarHBondContact O-N 2.99Å; S831-L834 PolarHBondContact O-N 3.14Å; L834-F836 VanDerWaalsContact C-N 3.25Å; L834-F836 PolarHBondContact O-N 3.02Å; L834-G837 PolarHBondContact O-N 3.36Å; L834-G837 VanDerWaalsContact O-N 3.11Å; L834-D838 WeakPolarHBondContact O-CB 3.38Å; L834-D838 PolarHBondContact O-N 3.36Å
835L33Very low31.6Very low128 Ų128100.4 Ų100.467%0.6752%0.521SS*.Hα-helixtrans-57.2-37.7179.3-81.8166.2000112.6S831 L839S831-L835 WeakPolarHBondContact O-CB 3.48Å; S831-L835 VanDerWaalsContact O-CG 3.29Å; S831-L835 WeakPolarHBondContact O-CG 3.27Å; S831-L835 PolarHBondContact O-N 2.92Å; L835-L839 WeakPolarHBondContact O-CB 3.49Å
836F30.9Very low32.1Very low122 Ų122104.7 Ų104.754%0.53553%0.525SS..Hα-helixtrans-84.7-37.1170.2-82.5-86.1000113.6L834 D838 L839 L840L834-F836 VanDerWaalsContact C-N 3.25Å; L834-F836 PolarHBondContact O-N 3.02Å; F836-D838 VanDerWaalsContact C-N 3.33Å; F836-D838 PolarHBondContact O-N 3.12Å; F836-L839 WeakPolarHBondContact O-CB 3.18Å; F836-L839 PolarHBondContact O-N 3.36Å; F836-L840 PolarHBondContact O-N 3.48Å; F836-L840 VanDerWaalsContact O-N 3.14Å
837G33.8Very low32.5Very low24 Ų24103.8 Ų103.825%0.24753%0.53CS..Hα-helixtrans-64.1-33.4-179.100000114.1T833 L834 K841T833-G837 WeakPolarHBondContact O-CA 3.38Å; T833-G837 PolarHBondContact O-N 3.48Å; L834-G837 PolarHBondContact O-N 3.36Å; L834-G837 VanDerWaalsContact O-N 3.11Å; G837-K841 WeakPolarHBondContact O-CG 3.27Å; G837-K841 PolarHBondContact O-N 2.86Å
838D33.9Very low32.7Very low72 Ų72104.5 Ų104.539%0.38553%0.526SS..Hα-helixtrans-91.6-21.4176.9-63.4-32.3000112.2L834 F836 L840 K841 S842L834-D838 WeakPolarHBondContact O-CB 3.38Å; L834-D838 PolarHBondContact O-N 3.36Å; F836-D838 VanDerWaalsContact C-N 3.33Å; F836-D838 PolarHBondContact O-N 3.12Å; D838-L840 VanDerWaalsContact C-N 3.27Å; D838-L840 PolarHBondContact O-N 3.46Å; D838-K841 PolarHBondContact O-N 3.46Å; D838-K841 IonicContact OD1-NZ 3.93Å; D838-K841 PolarHBondContact OD1-NZ 2.71Å; D838-S842 WeakPolarHBondContact O-CB 3.48Å; D838-S842 PolarHBondContact O-N 2.82Å
839L34.5Very low32.8Very low91 Ų91103.1 Ų103.148%0.47654%0.535SS..Hα-helixtrans-55.7-46.8163.5-142.378.8000110.4L835 F836 K841 S842L835-L839 WeakPolarHBondContact O-CB 3.49Å; F836-L839 WeakPolarHBondContact O-CB 3.18Å; F836-L839 PolarHBondContact O-N 3.36Å; L839-K841 VanDerWaalsContact C-N 3.34Å; L839-K841 PolarHBondContact O-N 3.07Å; L839-S842 PolarHBondContact O-N 2.83Å; L839-S842 PolarHBondContact O-OG 2.84Å
840L36.6Very low33.3Very low115 Ų115105.7 Ų105.760%0.60254%0.543SS*.THydrogen-bonded Turntrans-70-21.1177.7-75.4165.9000114.7F836 D838 L845F836-L840 PolarHBondContact O-N 3.48Å; F836-L840 VanDerWaalsContact O-N 3.14Å; D838-L840 VanDerWaalsContact C-N 3.27Å; D838-L840 PolarHBondContact O-N 3.46Å; L840-L845 HydrophobicContact CD2-CD1 3.93Å
841K36.7Very low33.7Very low153 Ų153111.5 Ų111.567%0.66556%0.563SS**THydrogen-bonded Turntrans-92-21.8173-67.9176.5-154.2148.40113.1G837 D838 L839G837-K841 WeakPolarHBondContact O-CG 3.27Å; G837-K841 PolarHBondContact O-N 2.86Å; D838-K841 PolarHBondContact O-N 3.46Å; D838-K841 IonicContact OD1-NZ 3.93Å; D838-K841 PolarHBondContact OD1-NZ 2.71Å; L839-K841 VanDerWaalsContact C-N 3.34Å; L839-K841 PolarHBondContact O-N 3.07Å
842S30.7Very low34.3Very low43 Ų43116.2 Ų116.230%0.30158%0.584SS.*SBendtrans-73.3136.4177.681.10000110.6D838 L839 R844D838-S842 WeakPolarHBondContact O-CB 3.48Å; D838-S842 PolarHBondContact O-N 2.82Å; L839-S842 PolarHBondContact O-N 2.83Å; L839-S842 PolarHBondContact O-OG 2.84Å; S842-R844 PolarHBondContact O-N 2.95Å
843N32.7Very low34.8Very low168 Ų168115.3 Ų115.390%0.89858%0.579SS**G310 helixtrans-68.915.1175.6-84.4-38.8000114
844R33.1Very low35.7Very low209 Ų209116.3 Ų116.379%0.78959%0.587SS**G310 helixtrans-81.4-15.1-179.3-72-171170.4-164.2-1.6114.2S842 R846 S847S842-R844 PolarHBondContact O-N 2.95Å; R844-R846 PolarHBondContact O-N 2.84Å; R844-S847 PolarHBondContact O-N 3.38Å
845L32.2Very low36.9Very low63 Ų63118.6 Ų118.633%0.3360%0.598SS.*G310 helixtrans-68.11.7-179.8-73.5172000115.3L840 L848 F850L840-L845 HydrophobicContact CD2-CD1 3.93Å; L845-L848 HydrophobicContact CD2-CD1 4.32Å; L845-F850 HydrophobicContact CD2-CE2 4.37Å
846R34.9Very low37.9Very low247 Ų247115.4 Ų115.493%0.93259%0.587SS**G310 helixtrans-79.1-8.2173.1-85.8-169.5174.8-169.1-0.8115.2R844R844-R846 PolarHBondContact O-N 2.84Å
847S34.3Very low38.7Very low107 Ų107110.7 Ų110.775%0.74857%0.571SS**SBendtrans-113.75.6-178.671.10000115.4R844R844-S847 PolarHBondContact O-N 3.38Å
848L30.1Very low39.5Very low107 Ų107113.5 Ų113.556%0.5658%0.579SS**SBendtrans-98.5132.6168-74.6171000109L845 F850L845-L848 HydrophobicContact CD2-CD1 4.32Å; L848-F850 HydrophobicContact CB-CD2 3.7Å; L848-F850 HydrophobicContact CB-CE2 3.77Å; L848-F850 HydrophobicContact CD1-CE2 3.86Å; L848-F850 HydrophobicContact CG-CE2 4.46Å; L848-F850 PolarHBondContact O-N 3.16Å
849T32.1Very low40.9Very low128 Ų128116 Ų11679%0.78559%0.589SS**  trans-78.159.7-176.147.30000112.5K851T849-K851 PolarHBondContact O-N 2.73Å
850F38.6Very low42Very low114 Ų114115.4 Ų115.450%0.559%0.585SS.*THydrogen-bonded Turntrans-72.353.7169.3-77.4-77000111.8L845 L848 V853L845-F850 HydrophobicContact CD2-CE2 4.37Å; L848-F850 HydrophobicContact CB-CD2 3.7Å; L848-F850 HydrophobicContact CB-CE2 3.77Å; L848-F850 HydrophobicContact CD1-CE2 3.86Å; L848-F850 HydrophobicContact CG-CE2 4.46Å; L848-F850 PolarHBondContact O-N 3.16Å; F850-V853 HydrophobicContact CD1-CB 4.22Å; F850-V853 HydrophobicContact CD1-CG2 3.84Å; F850-V853 HydrophobicContact CE1-CG2 4.3Å
851K39.9Very low43Very low186 Ų186113.8 Ų113.881%0.80957%0.574SS**THydrogen-bonded Turntrans-78-29.3175.4-80-170.1171-175.40112.7T849T849-K851 PolarHBondContact O-N 2.73Å
852D43.8Very low44.5Very low146 Ų146112.3 Ų112.378%0.78157%0.567SS**SBendtrans-115.46.5-163-45.2-66.3000114.1
853V43.8Very low46.6Very low68 Ų68116.4 Ų116.441%0.41258%0.58SS.*SBendtrans-93.4114.2174.1179.40000109.7F850 A857 L858F850-V853 HydrophobicContact CD1-CB 4.22Å; F850-V853 HydrophobicContact CD1-CG2 3.84Å; F850-V853 HydrophobicContact CE1-CG2 4.3Å; V853-A857 HydrophobicContact CG1-CB 4.43Å; V853-L858 HydrophobicContact CG1-CD1 4.44Å; V853-L858 HydrophobicContact CG1-CG 4.2Å
854P53.2Low48.4Very low77 Ų77110.6 Ų110.650%0.555%0.545SS..  trans-66.8139.8-176.826.4-34.2000111.8S856 A857P854-S856 PolarHBondContact O-N 3.42Å; P854-A857 HydrophobicContact CG-CB 4.29Å; P854-A857 WeakPolarHBondContact O-CB 3.5Å; P854-A857 PolarHBondContact O-N 2.76Å
855L56Low50.3Low122 Ų122103.2 Ų103.264%0.63952%0.521SS*.Hα-helixtrans-55.2-30.8-175.2-17267.3000113.4A857 L858 Q859L855-A857 PolarHBondContact O-N 2.75Å; L855-L858 PolarHBondContact O-N 3.17Å; L855-Q859 WeakPolarHBondContact O-CG 3.43Å; L855-Q859 PolarHBondContact O-N 3.01Å
856S54.3Low52.6Low61 Ų61105 Ų10543%0.42753%0.528SS..Hα-helixtrans-60.8-38.8174.949.60000113.1P854 Q859 M860P854-S856 PolarHBondContact O-N 3.42Å; S856-Q859 PolarHBondContact O-N 3.17Å; S856-M860 WeakPolarHBondContact O-CG 3.36Å; S856-M860 PolarHBondContact O-N 2.56Å
857A48.1Very low55Low24 Ų2494.4 Ų94.420%0.19849%0.49CS..Hα-helixtrans-67.2-42.217800000111.5V853 P854 L855 Q859 M860 H861V853-A857 HydrophobicContact CG1-CB 4.43Å; P854-A857 HydrophobicContact CG-CB 4.29Å; P854-A857 WeakPolarHBondContact O-CB 3.5Å; P854-A857 PolarHBondContact O-N 2.76Å; L855-A857 PolarHBondContact O-N 2.75Å; A857-Q859 PolarHBondContact O-N 2.86Å; A857-M860 PolarHBondContact O-N 2.97Å; A857-H861 WeakPolarHBondContact O-CB 3.49Å; A857-H861 PolarHBondContact O-N 2.86Å
858L49.9Very low57.2Low82 Ų8291 Ų9143%0.42946%0.462SS..Hα-helixtrans-62.3-40.8173.9-77.1164.9000112V853 L855 H861 K862V853-L858 HydrophobicContact CG1-CD1 4.44Å; V853-L858 HydrophobicContact CG1-CG 4.2Å; L855-L858 PolarHBondContact O-N 3.17Å; L858-H861 PolarHBondContact O-N 2.87Å; L858-K862 PolarHBondContact O-N 2.88Å
859Q62.6Low59.6Low126 Ų12692.2 Ų92.259%0.58946%0.459SS*.Hα-helixtrans-65.8-41.8175.6-72.7177.7000112.5L855 S856 A857 K863L855-Q859 WeakPolarHBondContact O-CG 3.43Å; L855-Q859 PolarHBondContact O-N 3.01Å; S856-Q859 PolarHBondContact O-N 3.17Å; A857-Q859 PolarHBondContact O-N 2.86Å; Q859-K863 WeakPolarHBondContact O-CB 3.38Å; Q859-K863 PolarHBondContact O-N 3.41Å
860M58.1Low62.3Low78 Ų7888.5 Ų88.538%0.38444%0.436SS..Hα-helixtrans-63.1-44.5174.2-72.8-173-170.900112S856 A857 K863 R864 T992 I994S856-M860 WeakPolarHBondContact O-CG 3.36Å; S856-M860 PolarHBondContact O-N 2.56Å; A857-M860 PolarHBondContact O-N 2.97Å; M860-K863 PolarHBondContact O-N 3.41Å; M860-R864 PolarHBondContact O-N 3.1Å; M860-T992 VanDerWaalsContact SD-O 3.34Å; M860-I994 HydrophobicContact SD-CG1 4.28Å
861H58.3Low64.6Low80 Ų8083.1 Ų83.137%0.3741%0.413SS..Hα-helixtrans-62.8-43.2178.3-176.281.4000111.9A857 L858 K863 R864 L865A857-H861 WeakPolarHBondContact O-CB 3.49Å; A857-H861 PolarHBondContact O-N 2.86Å; L858-H861 PolarHBondContact O-N 2.87Å; H861-K863 PolarHBondContact O-N 3.42Å; H861-R864 WeakPolarHBondContact O-CB 3.48Å; H861-R864 PolarHBondContact O-N 3.36Å; H861-L865 PolarHBondContact O-N 3.39Å; H861-L865 VanDerWaalsContact O-N 3.08Å
862K67.4Low66.7Low123 Ų12375.5 Ų75.554%0.53538%0.38SS..Hα-helixtrans-57.5-48.5172.4177.8-179.2165.6-177.50111.7L858 R864 L865 E866L858-K862 PolarHBondContact O-N 2.88Å; K862-R864 VanDerWaalsContact C-N 3.27Å; K862-R864 PolarHBondContact O-N 3.32Å; K862-L865 PolarHBondContact O-N 3.06Å; K862-E866 WeakPolarHBondContact CE-OE1 3.34Å; K862-E866 IonicContact NZ-OE1 3.56Å; K862-E866 WeakPolarHBondContact O-CG 3.16Å; K862-E866 PolarHBondContact O-N 3.19Å
863K76.3Confident68.7Low129 Ų12971.7 Ų71.756%0.56136%0.36SS*.Hα-helixtrans-61.9-35.2179.2-174.1176.9179.7-179.90112.1Q859 M860 H861 E866 N867Q859-K863 WeakPolarHBondContact O-CB 3.38Å; Q859-K863 PolarHBondContact O-N 3.41Å; M860-K863 PolarHBondContact O-N 3.41Å; H861-K863 PolarHBondContact O-N 3.42Å; K863-E866 PolarHBondContact O-N 2.73Å; K863-N867 PolarHBondContact O-N 2.52Å; K863-N867 PolarHBondContact O-ND2 2.97Å; K863-N867 PolarHBondContact O-OD1 3.45Å
864R70.1Confident70.9Confident45 Ų4568.8 Ų68.817%0.1734%0.342CS..Hα-helixtrans-61.1-50.9173.1-178.3-178177.4119.827.5111.4S800 M860 H861 K862 E866 N867 E868S800-R864 VanDerWaalsContact CA-NH2 3.31Å; M860-R864 PolarHBondContact O-N 3.1Å; H861-R864 WeakPolarHBondContact O-CB 3.48Å; H861-R864 PolarHBondContact O-N 3.36Å; K862-R864 VanDerWaalsContact C-N 3.27Å; K862-R864 PolarHBondContact O-N 3.32Å; R864-E866 VanDerWaalsContact C-N 3.28Å; R864-E866 PolarHBondContact O-N 3.38Å; R864-N867 WeakPolarHBondContact O-CB 3.39Å; R864-N867 PolarHBondContact O-N 3.42Å; R864-N867 VanDerWaalsContact O-N 3.11Å; R864-E868 HydrophobicContact CG-CG 4.4Å; R864-E868 WeakPolarHBondContact CG-OE1 3.34Å; R864-E868 IonicContact CZ-OE1 3.11Å; R864-E868 IonicContact NE-OE1 3.48Å; R864-E868 PolarHBondContact NE-OE1 2.72Å; R864-E868 IonicContact NH2-OE1 3.28Å; R864-E868 PolarHBondContact NH2-OE1 3.45Å; R864-E868 VanDerWaalsContact NH2-OE1 3.13Å; R864-E868 WeakPolarHBondContact O-CG 3.25Å; R864-E868 PolarHBondContact O-N 3.06Å
865L73Confident72.6Confident55 Ų5565.4 Ų65.429%0.28832%0.321SS..Hα-helixtrans-60.8-36.2177.6-67.6172.9000112.6H861 K862 R869H861-L865 PolarHBondContact O-N 3.39Å; H861-L865 VanDerWaalsContact O-N 3.08Å; K862-L865 PolarHBondContact O-N 3.06Å; L865-R869 WeakPolarHBondContact O-CB 3.16Å; L865-R869 PolarHBondContact O-N 2.67Å
866E80.3Confident74.1Confident100 Ų10062.7 Ų62.747%0.46730%0.303SS..Hα-helixtrans-64.7-44.3173.3-71.5172.7164.300111.5K862 K863 R864 R869 T870K862-E866 WeakPolarHBondContact CE-OE1 3.34Å; K862-E866 IonicContact NZ-OE1 3.56Å; K862-E866 WeakPolarHBondContact O-CG 3.16Å; K862-E866 PolarHBondContact O-N 3.19Å; K863-E866 PolarHBondContact O-N 2.73Å; R864-E866 VanDerWaalsContact C-N 3.28Å; R864-E866 PolarHBondContact O-N 3.38Å; E866-R869 PolarHBondContact O-N 3Å; E866-T870 WeakPolarHBondContact O-CG2 3.43Å; E866-T870 PolarHBondContact O-N 3.22Å
867N86Confident75.8Confident25 Ų2561.7 Ų61.713%0.13430%0.297CS..Hα-helixtrans-61.9-50.6174.7-65.9-20.8000112.1K863 R864 R869 T870 I871 L895 Y901K863-N867 PolarHBondContact O-N 2.52Å; K863-N867 PolarHBondContact O-ND2 2.97Å; K863-N867 PolarHBondContact O-OD1 3.45Å; R864-N867 WeakPolarHBondContact O-CB 3.39Å; R864-N867 PolarHBondContact O-N 3.42Å; R864-N867 VanDerWaalsContact O-N 3.11Å; N867-R869 PolarHBondContact O-N 3.05Å; N867-T870 PolarHBondContact O-N 3.44Å; N867-T870 PolarHBondContact O-OG1 2.87Å; N867-I871 PolarHBondContact O-N 3.47Å; N867-L895 HydrophobicContact CB-CD1 4.35Å; N867-L895 HydrophobicContact CB-CD2 3.86Å; N867-L895 VanDerWaalsContact CG-CD2 3.49Å; N867-Y901 HydrophobicContact CB-CE1 3.7Å; N867-Y901 HydrophobicContact CB-CE2 4.33Å; N867-Y901 PolarHBondContact ND2-OH 3.14Å; N867-Y901 VanDerWaalsContact ND2-OH 3.12Å
868E79Confident77.7Confident34 Ų3460.6 Ų60.616%0.15929%0.287CS..Hα-helixtrans-56.3-41.2179.1-69.3174.4174.800110.6R864 I871 I872 Y901 L904R864-E868 HydrophobicContact CG-CG 4.4Å; R864-E868 WeakPolarHBondContact CG-OE1 3.34Å; R864-E868 IonicContact CZ-OE1 3.11Å; R864-E868 IonicContact NE-OE1 3.48Å; R864-E868 PolarHBondContact NE-OE1 2.72Å; R864-E868 IonicContact NH2-OE1 3.28Å; R864-E868 PolarHBondContact NH2-OE1 3.45Å; R864-E868 VanDerWaalsContact NH2-OE1 3.13Å; R864-E868 WeakPolarHBondContact O-CG 3.25Å; R864-E868 PolarHBondContact O-N 3.06Å; E868-I871 PolarHBondContact O-N 2.73Å; E868-I872 VanDerWaalsContact O-CG1 3.26Å; E868-I872 WeakPolarHBondContact O-CG1 3.22Å; E868-I872 PolarHBondContact O-N 3.09Å; E868-Y901 HydrophobicContact CG-CD1 4.43Å; E868-Y901 HydrophobicContact CG-CE1 3.79Å; E868-L904 HydrophobicContact CB-CD2 4.1Å; E868-L904 HydrophobicContact CG-CD2 4.17Å
869R81.7Confident79.5Confident134 Ų13460.1 Ų60.151%0.50628%0.282SS..Hα-helixtrans-61.9-43.5172.9-172.5175.2-174.8148.76.7113.1L865 E866 N867 I871 I872 D873L865-R869 WeakPolarHBondContact O-CB 3.16Å; L865-R869 PolarHBondContact O-N 2.67Å; E866-R869 PolarHBondContact O-N 3Å; N867-R869 PolarHBondContact O-N 3.05Å; R869-I871 VanDerWaalsContact C-N 3.29Å; R869-I871 PolarHBondContact O-N 3.31Å; R869-I872 WeakPolarHBondContact O-CB 3.41Å; R869-I872 PolarHBondContact O-N 2.83Å; R869-D873 IonicContact NE-OD2 3.88Å; R869-D873 PolarHBondContact O-N 3.29Å
870T87.9Confident80.7Confident49 Ų4959.1 Ų59.130%0.30128%0.277SS..Hα-helixtrans-63-34.6176.759.70000113E866 N867 L874 L895E866-T870 WeakPolarHBondContact O-CG2 3.43Å; E866-T870 PolarHBondContact O-N 3.22Å; N867-T870 PolarHBondContact O-N 3.44Å; N867-T870 PolarHBondContact O-OG1 2.87Å; T870-L874 WeakPolarHBondContact O-CB 3.11Å; T870-L874 PolarHBondContact O-N 3.15Å; T870-L895 WeakPolarHBondContact OG1-CD1 3.29Å
871I87.6Confident82.1Confident1 Ų156 Ų561%0.00527%0.265CS..Hα-helixtrans-70.3-38.5173.8-61.6-65.2000111.5N867 E868 R869 L874 S875 L895 L896 Y901 L904 L905N867-I871 PolarHBondContact O-N 3.47Å; E868-I871 PolarHBondContact O-N 2.73Å; R869-I871 VanDerWaalsContact C-N 3.29Å; R869-I871 PolarHBondContact O-N 3.31Å; I871-L874 HydrophobicContact CD1-CD2 4.34Å; I871-L874 WeakPolarHBondContact O-CB 3.4Å; I871-L874 PolarHBondContact O-N 3.19Å; I871-S875 PolarHBondContact O-N 2.85Å; I871-L895 HydrophobicContact CD1-CB 4.11Å; I871-L895 HydrophobicContact CD1-CD1 4.01Å; I871-L895 HydrophobicContact CG1-CD1 4.25Å; I871-L896 HydrophobicContact CD1-CD2 4.47Å; I871-Y901 HydrophobicContact CG1-CD1 4Å; I871-Y901 HydrophobicContact CG1-CG 4.19Å; I871-L904 HydrophobicContact CB-CD2 3.91Å; I871-L904 HydrophobicContact CB-CG 4.44Å; I871-L904 HydrophobicContact CG2-CB 4.24Å; I871-L904 HydrophobicContact CG2-CD2 3.78Å; I871-L904 HydrophobicContact CG2-CG 3.77Å; I871-L905 HydrophobicContact CG2-CB 3.74Å; I871-L905 HydrophobicContact CG2-CD1 4.2Å; I871-L905 HydrophobicContact CG2-CG 4.4Å
872I83.9Confident83.5Confident26 Ų2659.8 Ų59.813%0.13328%0.276CS..Hα-helixtrans-61.4-49.9174.3-73.7167.1000110.9E868 R869 L874 S875 K876E868-I872 VanDerWaalsContact O-CG1 3.26Å; E868-I872 WeakPolarHBondContact O-CG1 3.22Å; E868-I872 PolarHBondContact O-N 3.09Å; R869-I872 WeakPolarHBondContact O-CB 3.41Å; R869-I872 PolarHBondContact O-N 2.83Å; I872-L874 VanDerWaalsContact C-N 3.33Å; I872-L874 PolarHBondContact O-N 3.36Å; I872-S875 PolarHBondContact O-N 3.11Å; I872-S875 PolarHBondContact O-OG 2.72Å; I872-K876 WeakPolarHBondContact O-CG 3.43Å; I872-K876 PolarHBondContact O-N 3.34Å
873D86Confident84.3Confident66 Ų6657.2 Ų57.235%0.35327%0.267SS..Hα-helixtrans-71.8-27.7-179.4-67.5-30.6000112.5R869 K876 S877R869-D873 IonicContact NE-OD2 3.88Å; R869-D873 PolarHBondContact O-N 3.29Å; D873-K876 IonicContact OD1-NZ 2.86Å; D873-K876 PolarHBondContact OD1-NZ 3.14Å; D873-S877 PolarHBondContact O-N 3.45Å; D873-S877 VanDerWaalsContact O-N 3.12Å; D873-S877 PolarHBondContact O-OG 3.47Å
874L89.7Confident84.5Confident8 Ų851.9 Ų51.94%0.04225%0.246CC..Hα-helixtrans-61.3-47.7166.1170.860.8000111.8T870 I871 I872 K876 S877 I878 P884 I892 L905 W940T870-L874 WeakPolarHBondContact O-CB 3.11Å; T870-L874 PolarHBondContact O-N 3.15Å; I871-L874 HydrophobicContact CD1-CD2 4.34Å; I871-L874 WeakPolarHBondContact O-CB 3.4Å; I871-L874 PolarHBondContact O-N 3.19Å; I872-L874 VanDerWaalsContact C-N 3.33Å; I872-L874 PolarHBondContact O-N 3.36Å; L874-K876 VanDerWaalsContact C-N 3.28Å; L874-K876 PolarHBondContact O-N 3.01Å; L874-S877 WeakPolarHBondContact O-CA 3.39Å; L874-S877 WeakPolarHBondContact O-CB 3.11Å; L874-S877 PolarHBondContact O-N 2.93Å; L874-I878 HydrophobicContact CD1-CD1 3.68Å; L874-I878 HydrophobicContact CD1-CG1 4.02Å; L874-I878 HydrophobicContact CG-CD1 3.71Å; L874-I878 WeakPolarHBondContact O-CG1 3.01Å; L874-I878 PolarHBondContact O-N 3.35Å; L874-P884 HydrophobicContact CD1-CG 3.39Å; L874-I892 HydrophobicContact CD1-CD1 3.91Å; L874-I892 HydrophobicContact CD2-CB 4.46Å; L874-I892 HydrophobicContact CD2-CD1 3.94Å; L874-I892 HydrophobicContact CD2-CG1 3.99Å; L874-I892 HydrophobicContact CD2-CG2 3.62Å; L874-I892 HydrophobicContact CG-CD1 4.44Å; L874-L905 HydrophobicContact CD2-CD1 4.33Å; L874-L905 HydrophobicContact CD2-CD2 3.6Å; L874-L905 HydrophobicContact CG-CD1 4.2Å; L874-L905 HydrophobicContact CG-CD2 4.26Å; L874-W940 HydrophobicContact CD1-CZ3 4.46Å
875S88Confident85Confident6 Ų654.7 Ų54.74%0.04226%0.264CS..Hα-helixtrans-58.8-38.9179.976.70000112.5I871 I872 I878 K879 R908I871-S875 PolarHBondContact O-N 2.85Å; I872-S875 PolarHBondContact O-N 3.11Å; I872-S875 PolarHBondContact O-OG 2.72Å; S875-I878 PolarHBondContact O-N 2.95Å; S875-K879 PolarHBondContact O-N 3.39Å; S875-K879 VanDerWaalsContact O-N 3.11Å; S875-R908 VanDerWaalsContact OG-CD 3.32Å; S875-R908 WeakPolarHBondContact OG-CD 3.49Å
876K88.2Confident85Confident64 Ų6456.4 Ų56.428%0.27827%0.273SS..Hα-helixtrans-65.6-41.3174.9-60.5174.6-149.3-168.70111.4D829 I872 D873 L874 K879 Q880D829-K876 IonicContact OD1-NZ 3.94Å; D829-K876 WeakPolarHBondContact OD2-CE 3.27Å; D829-K876 IonicContact OD2-NZ 3.19Å; D829-K876 PolarHBondContact OD2-NZ 3.47Å; I872-K876 WeakPolarHBondContact O-CG 3.43Å; I872-K876 PolarHBondContact O-N 3.34Å; D873-K876 IonicContact OD1-NZ 2.86Å; D873-K876 PolarHBondContact OD1-NZ 3.14Å; L874-K876 VanDerWaalsContact C-N 3.28Å; L874-K876 PolarHBondContact O-N 3.01Å; K876-K879 PolarHBondContact O-N 3.05Å; K876-Q880 VanDerWaalsContact O-CG 3.3Å; K876-Q880 WeakPolarHBondContact O-CG 3.09Å; K876-Q880 PolarHBondContact O-N 3.43Å; K876-Q880 VanDerWaalsContact O-N 3.16Å
877S89.6Confident84.2Confident41 Ų4159.9 Ų59.929%0.28729%0.287SS..Hα-helixtrans-62.9-42.8176.9-570000111.6D873 L874 Q880 G881 R882D873-S877 PolarHBondContact O-N 3.45Å; D873-S877 VanDerWaalsContact O-N 3.12Å; D873-S877 PolarHBondContact O-OG 3.47Å; L874-S877 WeakPolarHBondContact O-CA 3.39Å; L874-S877 WeakPolarHBondContact O-CB 3.11Å; L874-S877 PolarHBondContact O-N 2.93Å; S877-Q880 CarbonylContact O-C 3.53Å; S877-Q880 WeakPolarHBondContact O-CA 3.33Å; S877-Q880 WeakPolarHBondContact O-CB 3.07Å; S877-Q880 PolarHBondContact O-N 2.87Å; S877-Q880 VanDerWaalsContact O-N 3.13Å; S877-G881 PolarHBondContact O-N 2.69Å; S877-R882 CarbonylContact C-O 3.54Å; S877-R882 WeakPolarHBondContact O-CB 3.47Å; S877-R882 PolarHBondContact O-N 3.48Å
878I89.2Confident83.9Confident0 Ų060.2 Ų60.20%029%0.291CS..Hα-helixtrans-63.7-44.9177.5-66.6155.8000111.5L874 S875 Q880 G881 L905 I909 A937 I938 T941L874-I878 HydrophobicContact CD1-CD1 3.68Å; L874-I878 HydrophobicContact CD1-CG1 4.02Å; L874-I878 HydrophobicContact CG-CD1 3.71Å; L874-I878 WeakPolarHBondContact O-CG1 3.01Å; L874-I878 PolarHBondContact O-N 3.35Å; S875-I878 PolarHBondContact O-N 2.95Å; I878-Q880 PolarHBondContact O-N 2.98Å; I878-G881 PolarHBondContact O-N 2.88Å; I878-L905 HydrophobicContact CD1-CD1 4Å; I878-L905 HydrophobicContact CD1-CD2 4.47Å; I878-I909 HydrophobicContact CB-CG2 4.46Å; I878-I909 HydrophobicContact CD1-CG2 4.39Å; I878-I909 HydrophobicContact CG2-CG2 4.18Å; I878-A937 HydrophobicContact CG2-CB 4.13Å; I878-I938 HydrophobicContact CG2-CG1 3.7Å; I878-T941 HydrophobicContact CD1-CG2 3.83Å; I878-T941 WeakPolarHBondContact CD1-OG1 3.48Å; I878-T941 WeakPolarHBondContact CG1-OG1 3.26Å
879K86.3Confident84.1Confident73 Ų7362.7 Ų62.732%0.31730%0.299SS..Hα-helixtrans-65.5-19.7175-69-155.3178.7-176.20113.7S875 K876 R908 D911S875-K879 PolarHBondContact O-N 3.39Å; S875-K879 VanDerWaalsContact O-N 3.11Å; K876-K879 PolarHBondContact O-N 3.05Å; K879-R908 WeakPolarHBondContact CE-O 3.06Å; K879-R908 PolarHBondContact NZ-O 3.38Å; K879-D911 IonicContact NZ-OD1 3.4Å; K879-D911 PolarHBondContact NZ-OD1 3.46Å
880Q88.5Confident84.3Confident104 Ų10461.7 Ų61.749%0.48630%0.304SS..THydrogen-bonded Turntrans-89.26.8170.4-66.8171.711.500113.7K876 S877 I878 R882K876-Q880 VanDerWaalsContact O-CG 3.3Å; K876-Q880 WeakPolarHBondContact O-CG 3.09Å; K876-Q880 PolarHBondContact O-N 3.43Å; K876-Q880 VanDerWaalsContact O-N 3.16Å; S877-Q880 CarbonylContact O-C 3.53Å; S877-Q880 WeakPolarHBondContact O-CA 3.33Å; S877-Q880 WeakPolarHBondContact O-CB 3.07Å; S877-Q880 PolarHBondContact O-N 2.87Å; S877-Q880 VanDerWaalsContact O-N 3.13Å; I878-Q880 PolarHBondContact O-N 2.98Å; Q880-R882 HydrophobicContact CB-CG 4.29Å; Q880-R882 PolarHBondContact O-N 3.16Å
881G87.1Confident84.3Confident12 Ų1264.1 Ų64.112%0.12431%0.312CS..THydrogen-bonded Turntrans70.513.7-177.100000115.4S877 I878 D933S877-G881 PolarHBondContact O-N 2.69Å; I878-G881 PolarHBondContact O-N 2.88Å; G881-D933 VanDerWaalsContact CA-C 3.41Å; G881-D933 WeakPolarHBondContact CA-O 3.3Å
882R87.2Confident84.4Confident160 Ų16064.7 Ų64.760%0.60431%0.314SS*.  trans-95.9108.1-174.7-66.9171.1173.9171.7-8.7110.7S877 Q880S877-R882 CarbonylContact C-O 3.54Å; S877-R882 WeakPolarHBondContact O-CB 3.47Å; S877-R882 PolarHBondContact O-N 3.48Å; Q880-R882 HydrophobicContact CB-CG 4.29Å; Q880-R882 PolarHBondContact O-N 3.16Å
883I83.9Confident84.6Confident70 Ų7065.5 Ų65.536%0.35932%0.319SS..PPolyproline II helixtrans-74.4134.1173.5-54.9179.1000109.5K936 A937 W940I883-K936 HydrophobicContact CD1-CB 4.39Å; I883-A937 HydrophobicContact CG1-CB 4.08Å; I883-W940 HydrophobicContact CD1-CB 4.41Å; I883-W940 HydrophobicContact CG2-CB 4.46Å; I883-W940 HydrophobicContact CG2-CD2 3.78Å; I883-W940 HydrophobicContact CG2-CE3 4.16Å; I883-W940 HydrophobicContact CG2-CG 3.87Å
884P81Confident84.7Confident16 Ų1666.5 Ų66.510%0.10433%0.327CS..PPolyproline II helixtrans-58.9152.3-179.8-25.935.4000114.7L874 S888 R889 I892 W940L874-P884 HydrophobicContact CD1-CG 3.39Å; P884-S888 WeakPolarHBondContact CB-OG 3.45Å; P884-R889 HydrophobicContact CB-CG 4.33Å; P884-R889 PolarHBondContact O-NE 3.32Å; P884-R889 PolarHBondContact O-NH2 3.22Å; P884-I892 HydrophobicContact CB-CD1 3.74Å; P884-I892 HydrophobicContact CG-CD1 3.68Å; P884-W940 HydrophobicContact CB-CH2 4.37Å; P884-W940 VanDerWaalsContact CD-CZ3 3.47Å; P884-W940 HydrophobicContact CG-CE3 4.48Å; P884-W940 HydrophobicContact CG-CH2 3.82Å; P884-W940 HydrophobicContact CG-CZ3 3.67Å
885N80.8Confident84.6Confident104 Ų10466.8 Ų66.856%0.55633%0.329SS*.PPolyproline II helixtrans-71.5158.3176.273.216.2000111.8F887 S888 R889N885-F887 VanDerWaalsContact C-N 3.27Å; N885-F887 PolarHBondContact O-N 3.14Å; N885-F887 VanDerWaalsContact O-N 3.12Å; N885-S888 PolarHBondContact N-OG 2.92Å; N885-S888 PolarHBondContact O-N 3.13Å; N885-S888 VanDerWaalsContact O-N 3.09Å; N885-S888 PolarHBondContact O-OG 2.98Å; N885-S888 WeakPolarHBondContact OD1-CB 3.49Å; N885-S888 PolarHBondContact OD1-N 3.24Å; N885-S888 PolarHBondContact OD1-OG 2.87Å; N885-R889 WeakPolarHBondContact O-CG 3.46Å; N885-R889 PolarHBondContact O-N 3.46Å; N885-R889 VanDerWaalsContact O-N 3.14Å
886I72.6Confident84.7Confident92 Ų9266.5 Ų66.547%0.47233%0.327SS..Hα-helixtrans-60.6-32.9-165.8-154.5164.5000114.3R889 T1040I886-R889 PolarHBondContact O-N 3.11Å; I886-T1040 HydrophobicContact CD1-CG2 3.71Å
887F63.2Low84.6Confident173 Ų17365.3 Ų65.376%0.75932%0.322SS*.Hα-helixtrans-68.4-43.9176.5-64.3-77.2000112.6N885 R889 N890N885-F887 VanDerWaalsContact C-N 3.27Å; N885-F887 PolarHBondContact O-N 3.14Å; N885-F887 VanDerWaalsContact O-N 3.12Å; F887-R889 VanDerWaalsContact C-N 3.3Å; F887-R889 PolarHBondContact O-N 3.18Å; F887-N890 PolarHBondContact O-N 3.15Å
888S80.7Confident84.2Confident32 Ų3264.4 Ų64.422%0.22431%0.314CS..Hα-helixtrans-67.6-28.3176.855.30000112.7P884 N885 N890 Q891 I892P884-S888 WeakPolarHBondContact CB-OG 3.45Å; N885-S888 PolarHBondContact N-OG 2.92Å; N885-S888 PolarHBondContact O-N 3.13Å; N885-S888 VanDerWaalsContact O-N 3.09Å; N885-S888 PolarHBondContact O-OG 2.98Å; N885-S888 WeakPolarHBondContact OD1-CB 3.49Å; N885-S888 PolarHBondContact OD1-N 3.24Å; N885-S888 PolarHBondContact OD1-OG 2.87Å; S888-N890 VanDerWaalsContact C-N 3.31Å; S888-N890 PolarHBondContact O-N 3.3Å; S888-Q891 PolarHBondContact O-N 3.34Å; S888-I892 WeakPolarHBondContact O-CB 3.26Å; S888-I892 WeakPolarHBondContact O-CD1 3.37Å; S888-I892 WeakPolarHBondContact O-CG1 3.3Å; S888-I892 PolarHBondContact O-N 2.75Å
889R84.2Confident83.8Confident85 Ų8565.4 Ų65.432%0.32132%0.319SS..Hα-helixtrans-57.1-40.5175.5-62.9-175.3-169.4-178.32112.9P884 N885 I886 F887 I892 N893 W940P884-R889 HydrophobicContact CB-CG 4.33Å; P884-R889 PolarHBondContact O-NE 3.32Å; P884-R889 PolarHBondContact O-NH2 3.22Å; N885-R889 WeakPolarHBondContact O-CG 3.46Å; N885-R889 PolarHBondContact O-N 3.46Å; N885-R889 VanDerWaalsContact O-N 3.14Å; I886-R889 PolarHBondContact O-N 3.11Å; F887-R889 VanDerWaalsContact C-N 3.3Å; F887-R889 PolarHBondContact O-N 3.18Å; R889-I892 PolarHBondContact O-N 3.08Å; R889-N893 WeakPolarHBondContact O-CB 3.43Å; R889-N893 VanDerWaalsContact O-CG 3.25Å; R889-N893 PolarHBondContact O-N 3.06Å; R889-N893 PolarHBondContact O-OD1 2.9Å; R889-W940 HydrophobicContact CB-CZ2 4.2Å; R889-W940 HydrophobicContact CG-CH2 4.19Å; R889-W940 HydrophobicContact CG-CZ2 3.58Å
890N84.6Confident83.4Confident114 Ų11463 Ų6361%0.6131%0.31SS*.Hα-helixtrans-67-39.5179.5-70.9-3000112F887 S888 T894F887-N890 PolarHBondContact O-N 3.15Å; S888-N890 VanDerWaalsContact C-N 3.31Å; S888-N890 PolarHBondContact O-N 3.3Å; N890-T894 PolarHBondContact O-N 3.13Å; N890-T894 VanDerWaalsContact O-N 3.14Å; N890-T894 PolarHBondContact O-OG1 3.06Å
891Q88.5Confident83.3Confident100 Ų10059.2 Ų59.247%0.46729%0.291SS..Hα-helixtrans-64-49.3172.7-178.2178.6-1.300110.8S888 N893 T894 L895S888-Q891 PolarHBondContact O-N 3.34Å; Q891-N893 PolarHBondContact O-N 3.44Å; Q891-T894 WeakPolarHBondContact O-CB 3.34Å; Q891-T894 PolarHBondContact O-N 3.25Å; Q891-T894 VanDerWaalsContact O-N 3.11Å; Q891-L895 HydrophobicContact CG-CD1 4.39Å; Q891-L895 WeakPolarHBondContact O-CG 3.49Å; Q891-L895 PolarHBondContact O-N 2.79Å
892I89Confident83.4Confident12 Ų1258.7 Ų58.76%0.06229%0.285CS..Hα-helixtrans-59.5-46.4-179.8-68.3163.3000111L874 P884 S888 R889 T894 L895 L896 W940L874-I892 HydrophobicContact CD1-CD1 3.91Å; L874-I892 HydrophobicContact CD2-CB 4.46Å; L874-I892 HydrophobicContact CD2-CD1 3.94Å; L874-I892 HydrophobicContact CD2-CG1 3.99Å; L874-I892 HydrophobicContact CD2-CG2 3.62Å; L874-I892 HydrophobicContact CG-CD1 4.44Å; P884-I892 HydrophobicContact CB-CD1 3.74Å; P884-I892 HydrophobicContact CG-CD1 3.68Å; S888-I892 WeakPolarHBondContact O-CB 3.26Å; S888-I892 WeakPolarHBondContact O-CD1 3.37Å; S888-I892 WeakPolarHBondContact O-CG1 3.3Å; S888-I892 PolarHBondContact O-N 2.75Å; R889-I892 PolarHBondContact O-N 3.08Å; I892-T894 PolarHBondContact O-N 3.05Å; I892-L895 PolarHBondContact O-N 3.48Å; I892-L895 VanDerWaalsContact O-N 3.08Å; I892-L896 HydrophobicContact CG2-CD1 3.74Å; I892-L896 HydrophobicContact CG2-CG 4.19Å; I892-L896 WeakPolarHBondContact O-CG 3.33Å; I892-L896 PolarHBondContact O-N 3.24Å; I892-W940 HydrophobicContact CD1-CH2 4.48Å; I892-W940 HydrophobicContact CG2-CH2 4.22Å
893N88.1Confident83.2Confident44 Ų4451.1 Ų51.124%0.23526%0.257CS..Hα-helixtrans-64.3-30.5177.7-72.915.3000112.3R889 Q891 Q944R889-N893 WeakPolarHBondContact O-CB 3.43Å; R889-N893 VanDerWaalsContact O-CG 3.25Å; R889-N893 PolarHBondContact O-N 3.06Å; R889-N893 PolarHBondContact O-OD1 2.9Å; Q891-N893 PolarHBondContact O-N 3.44Å; N893-Q944 PolarHBondContact ND2-OE1 3.39Å; N893-Q944 WeakPolarHBondContact OD1-CB 3.44Å; N893-Q944 VanDerWaalsContact OD1-CG 3.31Å; N893-Q944 WeakPolarHBondContact OD1-CG 3.27Å; N893-Q944 PolarHBondContact OD1-OE1 3.35Å
894T87.9Confident83.1Confident86 Ų8648.3 Ų48.353%0.52824%0.243SC..Hα-helixtrans-72.2-36.5173.1-53.10000111.5N890 Q891 I892 Q897N890-T894 PolarHBondContact O-N 3.13Å; N890-T894 VanDerWaalsContact O-N 3.14Å; N890-T894 PolarHBondContact O-OG1 3.06Å; Q891-T894 WeakPolarHBondContact O-CB 3.34Å; Q891-T894 PolarHBondContact O-N 3.25Å; Q891-T894 VanDerWaalsContact O-N 3.11Å; I892-T894 PolarHBondContact O-N 3.05Å; T894-Q897 WeakPolarHBondContact O-CB 3.46Å
895L89Confident83.4Confident14 Ų1447.6 Ų47.67%0.07324%0.238CC..Hα-helixtrans-69.9-43.2174.6-65.7177.7000111.9N867 T870 I871 Q891 I892 Q897 D898 Y901N867-L895 HydrophobicContact CB-CD1 4.35Å; N867-L895 HydrophobicContact CB-CD2 3.86Å; N867-L895 VanDerWaalsContact CG-CD2 3.49Å; T870-L895 WeakPolarHBondContact OG1-CD1 3.29Å; I871-L895 HydrophobicContact CD1-CB 4.11Å; I871-L895 HydrophobicContact CD1-CD1 4.01Å; I871-L895 HydrophobicContact CG1-CD1 4.25Å; Q891-L895 HydrophobicContact CG-CD1 4.39Å; Q891-L895 WeakPolarHBondContact O-CG 3.49Å; Q891-L895 PolarHBondContact O-N 2.79Å; I892-L895 PolarHBondContact O-N 3.48Å; I892-L895 VanDerWaalsContact O-N 3.08Å; L895-Q897 PolarHBondContact O-N 3.04Å; L895-D898 PolarHBondContact O-N 2.8Å; L895-Y901 HydrophobicContact CB-CD2 3.97Å; L895-Y901 HydrophobicContact CB-CG 4.3Å; L895-Y901 HydrophobicContact CD2-CD2 3.98Å; L895-Y901 HydrophobicContact CD2-CE2 3.89Å; L895-Y901 WeakPolarHBondContact O-CD2 3.27Å
896L89.4Confident83.7Confident1 Ų142.7 Ų42.71%0.00521%0.212CC..THydrogen-bonded Turntrans-69.4-2.5-179.3-64.7176.2000114.4I871 I892 R902 L905 Q944 M945 G948I871-L896 HydrophobicContact CD1-CD2 4.47Å; I892-L896 HydrophobicContact CG2-CD1 3.74Å; I892-L896 HydrophobicContact CG2-CG 4.19Å; I892-L896 WeakPolarHBondContact O-CG 3.33Å; I892-L896 PolarHBondContact O-N 3.24Å; L896-R902 HydrophobicContact CB-CG 4.43Å; L896-R902 HydrophobicContact CD2-CG 4.24Å; L896-R902 WeakPolarHBondContact O-CD 3.41Å; L896-R902 VanDerWaalsContact O-CG 3.27Å; L896-R902 WeakPolarHBondContact O-CG 3.37Å; L896-R902 PolarHBondContact O-NH1 3.33Å; L896-L905 HydrophobicContact CD1-CD2 4.41Å; L896-L905 HydrophobicContact CD2-CD2 3.91Å; L896-Q944 HydrophobicContact CD1-CB 3.89Å; L896-M945 HydrophobicContact CD1-CG 4.18Å; L896-M945 HydrophobicContact CD2-CG 4.38Å; L896-G948 WeakPolarHBondContact O-CA 3.38Å
897Q86.8Confident84Confident38 Ų3838.3 Ų38.318%0.17819%0.189CC..THydrogen-bonded Turntrans-64-28.3161.8-65.51803.400112.2T894 L895 R902 Y951T894-Q897 WeakPolarHBondContact O-CB 3.46Å; L895-Q897 PolarHBondContact O-N 3.04Å; Q897-R902 PolarHBondContact O-NH1 2.9Å; Q897-Y951 HydrophobicContact CB-CD1 3.6Å; Q897-Y951 HydrophobicContact CB-CE1 3.98Å; Q897-Y951 HydrophobicContact CB-CG 4.29Å; Q897-Y951 HydrophobicContact CG-CD1 3.47Å; Q897-Y951 VanDerWaalsContact CG-CD1 3.47Å; Q897-Y951 HydrophobicContact CG-CD2 4.33Å; Q897-Y951 HydrophobicContact CG-CE1 3.95Å; Q897-Y951 HydrophobicContact CG-CG 3.69Å; Q897-Y951 VanDerWaalsContact OE1-CZ 3.3Å
898D80Confident84.9Confident22 Ų2232.3 Ų32.312%0.11816%0.162CC..SBendtrans-93.9123.9176.4-162.8-66.1000110.3L895 N900 Y901 R902 S997L895-D898 PolarHBondContact O-N 2.8Å; D898-N900 PolarHBondContact O-N 2.85Å; D898-N900 WeakPolarHBondContact OD1-CB 3.27Å; D898-N900 PolarHBondContact OD1-N 3.08Å; D898-N900 PolarHBondContact OD1-ND2 3.39Å; D898-Y901 HydrophobicContact CB-CD2 3.71Å; D898-Y901 HydrophobicContact CB-CE2 4.12Å; D898-Y901 PolarHBondContact O-N 3.35Å; D898-Y901 VanDerWaalsContact O-N 3.12Å; D898-R902 PolarHBondContact O-N 2.99Å; D898-S997 CarbonylContact C-O 3.6Å; D898-S997 WeakPolarHBondContact CA-O 3.35Å; D898-S997 WeakPolarHBondContact OD1-CB 3.43Å; D898-S997 PolarHBondContact OD2-N 3.22Å
899E81.4Confident85.3Confident21 Ų2131 Ų3110%0.09815%0.152CC..Hα-helixtrans-53.9-33.2176177.3154.7-116.800112.9Y901 R902 N903 S997 G999 A1001 S1002E899-Y901 VanDerWaalsContact C-N 3.33Å; E899-Y901 PolarHBondContact O-N 2.86Å; E899-R902 WeakPolarHBondContact O-CB 3.38Å; E899-R902 PolarHBondContact O-N 3.02Å; E899-N903 VanDerWaalsContact CG-ND2 3.33Å; E899-N903 WeakPolarHBondContact CG-ND2 3.36Å; E899-N903 WeakPolarHBondContact O-CB 3.42Å; E899-N903 PolarHBondContact O-N 3.37Å; E899-N903 PolarHBondContact O-ND2 2.7Å; E899-S997 VanDerWaalsContact CB-O 3.23Å; E899-S997 WeakPolarHBondContact CB-O 3.46Å; E899-S997 PolarHBondContact N-O 3.08Å; E899-G999 VanDerWaalsContact CD-C 3.44Å; E899-G999 VanDerWaalsContact CD-O 3.24Å; E899-G999 VanDerWaalsContact OE2-C 3.3Å; E899-G999 WeakPolarHBondContact OE2-CA 3.44Å; E899-G999 PolarHBondContact OE2-N 2.73Å; E899-G999 VanDerWaalsContact OE2-N 3.11Å; E899-A1001 PolarHBondContact OE1-N 2.99Å; E899-A1001 VanDerWaalsContact OE1-N 3.12Å; E899-S1002 VanDerWaalsContact OE1-CB 3.24Å; E899-S1002 WeakPolarHBondContact OE1-CB 3.17Å; E899-S1002 PolarHBondContact OE1-N 2.65Å; E899-S1002 PolarHBondContact OE1-OG 3.42Å
900N78.5Confident85.4Confident23 Ų2327 Ų2712%0.12314%0.137CC..Hα-helixtrans-64.9-39.8177.6-66.6-40.2000111.9S799 D898 L904 S997S799-N900 WeakPolarHBondContact O-CB 3.39Å; S799-N900 PolarHBondContact O-OD1 3.17Å; S799-N900 WeakPolarHBondContact OG-CA 3.29Å; S799-N900 PolarHBondContact OG-OD1 3.34Å; D898-N900 PolarHBondContact O-N 2.85Å; D898-N900 WeakPolarHBondContact OD1-CB 3.27Å; D898-N900 PolarHBondContact OD1-N 3.08Å; D898-N900 PolarHBondContact OD1-ND2 3.39Å; N900-L904 WeakPolarHBondContact O-CB 3.31Å; N900-L904 PolarHBondContact O-N 2.85Å; N900-S997 WeakPolarHBondContact ND2-CB 3.47Å; N900-S997 PolarHBondContact ND2-OG 3.47Å
901Y85.8Confident85.2Confident24 Ų2423.6 Ų23.69%0.09412%0.119CC..Hα-helixtrans-76-29.1174.8-57.5-50000111.9N867 E868 I871 L895 D898 E899 L905N867-Y901 HydrophobicContact CB-CE1 3.7Å; N867-Y901 HydrophobicContact CB-CE2 4.33Å; N867-Y901 PolarHBondContact ND2-OH 3.14Å; N867-Y901 VanDerWaalsContact ND2-OH 3.12Å; E868-Y901 HydrophobicContact CG-CD1 4.43Å; E868-Y901 HydrophobicContact CG-CE1 3.79Å; I871-Y901 HydrophobicContact CG1-CD1 4Å; I871-Y901 HydrophobicContact CG1-CG 4.19Å; L895-Y901 HydrophobicContact CB-CD2 3.97Å; L895-Y901 HydrophobicContact CB-CG 4.3Å; L895-Y901 HydrophobicContact CD2-CD2 3.98Å; L895-Y901 HydrophobicContact CD2-CE2 3.89Å; L895-Y901 WeakPolarHBondContact O-CD2 3.27Å; D898-Y901 HydrophobicContact CB-CD2 3.71Å; D898-Y901 HydrophobicContact CB-CE2 4.12Å; D898-Y901 PolarHBondContact O-N 3.35Å; D898-Y901 VanDerWaalsContact O-N 3.12Å; E899-Y901 VanDerWaalsContact C-N 3.33Å; E899-Y901 PolarHBondContact O-N 2.86Å; Y901-L905 WeakPolarHBondContact O-CB 3.27Å; Y901-L905 PolarHBondContact O-N 3.33Å
902R88.2Confident84.8Confident1 Ų119.4 Ų19.40%0.00410%0.1CC..Hα-helixtrans-60.8-55.4168-64.4-165.9-76.1-94.113110.7L896 Q897 D898 E899 L905 I906 G948 S952 G999 S1002L896-R902 HydrophobicContact CB-CG 4.43Å; L896-R902 HydrophobicContact CD2-CG 4.24Å; L896-R902 WeakPolarHBondContact O-CD 3.41Å; L896-R902 VanDerWaalsContact O-CG 3.27Å; L896-R902 WeakPolarHBondContact O-CG 3.37Å; L896-R902 PolarHBondContact O-NH1 3.33Å; Q897-R902 PolarHBondContact O-NH1 2.9Å; D898-R902 PolarHBondContact O-N 2.99Å; E899-R902 WeakPolarHBondContact O-CB 3.38Å; E899-R902 PolarHBondContact O-N 3.02Å; R902-L905 PolarHBondContact O-N 2.84Å; R902-L905 VanDerWaalsContact O-N 3.12Å; R902-I906 WeakPolarHBondContact O-CG1 3.15Å; R902-I906 PolarHBondContact O-N 3.11Å; R902-G948 PolarHBondContact NH1-O 3.03Å; R902-S952 PolarHBondContact NH2-OG 3.44Å; R902-G999 PolarHBondContact NH2-O 2.75Å; R902-S1002 PolarHBondContact NE-OG 3.23Å
903N83.2Confident84Confident1 Ų119.1 Ų19.11%0.00510%0.098CC..Hα-helixtrans-64-44.5-175.9-69.5-13.7000112.2S799 E899 L905 I906 A907 S1002 M1005S799-N903 WeakPolarHBondContact OG-CB 3.47Å; S799-N903 PolarHBondContact OG-ND2 3.07Å; E899-N903 VanDerWaalsContact CG-ND2 3.33Å; E899-N903 WeakPolarHBondContact CG-ND2 3.36Å; E899-N903 WeakPolarHBondContact O-CB 3.42Å; E899-N903 PolarHBondContact O-N 3.37Å; E899-N903 PolarHBondContact O-ND2 2.7Å; N903-L905 PolarHBondContact O-N 2.88Å; N903-I906 PolarHBondContact O-N 3Å; N903-A907 WeakPolarHBondContact O-CB 3.46Å; N903-A907 PolarHBondContact O-N 3.33Å; N903-S1002 WeakPolarHBondContact OD1-CA 3.36Å; N903-S1002 WeakPolarHBondContact OD1-CB 3.3Å; N903-M1005 HydrophobicContact CB-CE 4.08Å; N903-M1005 VanDerWaalsContact CG-CE 3.47Å; N903-M1005 WeakPolarHBondContact OD1-CE 3.33Å
904L81.5Confident82.8Confident12 Ų1218 Ų186%0.0639%0.094CC..Hα-helixtrans-55-39.1172.5174.362.2000112.2S796 E868 I871 N900 R908S796-L904 WeakPolarHBondContact OG-CD1 3.45Å; E868-L904 HydrophobicContact CB-CD2 4.1Å; E868-L904 HydrophobicContact CG-CD2 4.17Å; I871-L904 HydrophobicContact CB-CD2 3.91Å; I871-L904 HydrophobicContact CB-CG 4.44Å; I871-L904 HydrophobicContact CG2-CB 4.24Å; I871-L904 HydrophobicContact CG2-CD2 3.78Å; I871-L904 HydrophobicContact CG2-CG 3.77Å; N900-L904 WeakPolarHBondContact O-CB 3.31Å; N900-L904 PolarHBondContact O-N 2.85Å; L904-R908 PolarHBondContact O-N 3.25Å
905L88.1Confident81.8Confident0 Ų018.5 Ų18.50%09%0.088CC..Hα-helixtrans-75.9-46.5178.8-170.751.2000112I871 L874 I878 L896 Y901 R902 N903 A907 R908 I909 T941 M945I871-L905 HydrophobicContact CG2-CB 3.74Å; I871-L905 HydrophobicContact CG2-CD1 4.2Å; I871-L905 HydrophobicContact CG2-CG 4.4Å; L874-L905 HydrophobicContact CD2-CD1 4.33Å; L874-L905 HydrophobicContact CD2-CD2 3.6Å; L874-L905 HydrophobicContact CG-CD1 4.2Å; L874-L905 HydrophobicContact CG-CD2 4.26Å; I878-L905 HydrophobicContact CD1-CD1 4Å; I878-L905 HydrophobicContact CD1-CD2 4.47Å; L896-L905 HydrophobicContact CD1-CD2 4.41Å; L896-L905 HydrophobicContact CD2-CD2 3.91Å; Y901-L905 WeakPolarHBondContact O-CB 3.27Å; Y901-L905 PolarHBondContact O-N 3.33Å; R902-L905 PolarHBondContact O-N 2.84Å; R902-L905 VanDerWaalsContact O-N 3.12Å; N903-L905 PolarHBondContact O-N 2.88Å; L905-A907 PolarHBondContact O-N 3.17Å; L905-R908 PolarHBondContact O-N 3.25Å; L905-I909 HydrophobicContact CD1-CG2 4.14Å; L905-I909 WeakPolarHBondContact O-CG1 3.41Å; L905-I909 PolarHBondContact O-N 3.19Å; L905-T941 HydrophobicContact CD2-CG2 3.74Å; L905-T941 HydrophobicContact CG-CG2 4.28Å; L905-M945 HydrophobicContact CB-CE 3.67Å; L905-M945 HydrophobicContact CD2-CE 3.63Å; L905-M945 HydrophobicContact CG-CE 3.55Å
906I86.9Confident80.6Confident1 Ų121.8 Ų21.81%0.00511%0.106CC..Hα-helixtrans-59.7-46.8177.9-61.1164000110.4R902 N903 R908 I909 N910 M945 M1005 L1006 V1009R902-I906 WeakPolarHBondContact O-CG1 3.15Å; R902-I906 PolarHBondContact O-N 3.11Å; N903-I906 PolarHBondContact O-N 3Å; I906-R908 PolarHBondContact O-N 3.4Å; I906-I909 PolarHBondContact O-N 3.04Å; I906-I909 VanDerWaalsContact O-N 3.14Å; I906-N910 HydrophobicContact CG2-CB 4.38Å; I906-N910 VanDerWaalsContact O-CB 3.31Å; I906-N910 WeakPolarHBondContact O-CB 3.27Å; I906-N910 PolarHBondContact O-N 3.39Å; I906-M945 HydrophobicContact CD1-CE 4.38Å; I906-M945 HydrophobicContact CD1-SD 4.01Å; I906-M945 HydrophobicContact CG1-CE 3.49Å; I906-M945 VanDerWaalsContact CG1-CE 3.49Å; I906-M945 HydrophobicContact CG1-SD 3.58Å; I906-M945 VanDerWaalsContact CG1-SD 3.58Å; I906-M1005 HydrophobicContact CD1-CB 4.19Å; I906-M1005 HydrophobicContact CG2-CB 3.76Å; I906-L1006 HydrophobicContact CD1-CB 4.22Å; I906-V1009 HydrophobicContact CG2-CG2 4.2Å
907A78.9Confident79.6Confident0 Ų022.7 Ų22.70%011%0.111CC..Hα-helixtrans-52.9-42.2177.500000112.1L792 V795 N903 L905L792-A907 WeakPolarHBondContact CD2-O 3.43Å; V795-A907 HydrophobicContact CB-CB 4.17Å; V795-A907 HydrophobicContact CG1-CB 3.92Å; N903-A907 WeakPolarHBondContact O-CB 3.46Å; N903-A907 PolarHBondContact O-N 3.33Å; L905-A907 PolarHBondContact O-N 3.17Å
908R83.1Confident78.8Confident48 Ų4826.8 Ų26.818%0.18113%0.133CC..Hα-helixtrans-78.2-31.7179.2-74.7-173.5166.9-118.15.9114.1D829 S875 K879 L904 L905 I906D829-R908 IonicContact OD1-CZ 2.65Å; D829-R908 VanDerWaalsContact OD1-CZ 3.28Å; D829-R908 IonicContact OD1-NH1 3.72Å; D829-R908 PolarHBondContact OD1-NH1 3.26Å; D829-R908 IonicContact OD1-NH2 3.93Å; D829-R908 PolarHBondContact OD1-NH2 3.04Å; D829-R908 IonicContact OD2-NH1 3.23Å; S875-R908 VanDerWaalsContact OG-CD 3.32Å; S875-R908 WeakPolarHBondContact OG-CD 3.49Å; K879-R908 WeakPolarHBondContact CE-O 3.06Å; K879-R908 PolarHBondContact NZ-O 3.38Å; L904-R908 PolarHBondContact O-N 3.25Å; L905-R908 PolarHBondContact O-N 3.25Å; I906-R908 PolarHBondContact O-N 3.4Å
909I87.7Confident78Confident4 Ų430.6 Ų30.62%0.02116%0.159CC..Hα-helixtrans-87.7-28.4-17869.1-177.9000114.4I878 L905 I906 D911 T941 M945I878-I909 HydrophobicContact CB-CG2 4.46Å; I878-I909 HydrophobicContact CD1-CG2 4.39Å; I878-I909 HydrophobicContact CG2-CG2 4.18Å; L905-I909 HydrophobicContact CD1-CG2 4.14Å; L905-I909 WeakPolarHBondContact O-CG1 3.41Å; L905-I909 PolarHBondContact O-N 3.19Å; I906-I909 PolarHBondContact O-N 3.04Å; I906-I909 VanDerWaalsContact O-N 3.14Å; I909-D911 PolarHBondContact O-N 2.73Å; I909-T941 HydrophobicContact CD1-CG2 4.17Å; I909-M945 HydrophobicContact CD1-CE 4.26Å
910N87Confident77.3Confident0 Ų036.8 Ų36.80%019%0.193CC..  trans-77.1107.8-179.4-178-5.8000111.3I906 N912 L913 E1008 V1009 H1013I906-N910 HydrophobicContact CG2-CB 4.38Å; I906-N910 VanDerWaalsContact O-CB 3.31Å; I906-N910 WeakPolarHBondContact O-CB 3.27Å; I906-N910 PolarHBondContact O-N 3.39Å; N910-N912 PolarHBondContact O-N 3.21Å; N910-N912 VanDerWaalsContact O-N 3.17Å; N910-N912 WeakPolarHBondContact OD1-CB 3.3Å; N910-N912 PolarHBondContact OD1-N 3.45Å; N910-L913 HydrophobicContact CB-CD1 4.08Å; N910-L913 HydrophobicContact CB-CG 4.31Å; N910-L913 PolarHBondContact O-N 3.19Å; N910-E1008 PolarHBondContact ND2-OE1 3.36Å; N910-V1009 HydrophobicContact CB-CG2 3.63Å; N910-H1013 PolarHBondContact OD1-CE1 3.49Å
911D79.8Confident77.2Confident44 Ų4437.5 Ų37.524%0.23520%0.196CC..THydrogen-bonded Turntrans-75.53.2-179.6-72.5-36.2000114.1K879 I909 S914 K915 V927K879-D911 IonicContact NZ-OD1 3.4Å; K879-D911 PolarHBondContact NZ-OD1 3.46Å; I909-D911 PolarHBondContact O-N 2.73Å; D911-S914 PolarHBondContact O-OG 3.43Å; D911-K915 WeakPolarHBondContact O-CD 3.49Å; D911-K915 WeakPolarHBondContact O-CE 3.46Å; D911-K915 PolarHBondContact O-NZ 2.87Å; D911-V927 HydrophobicContact CB-CG1 4.19Å
912N79.9Confident76.8Confident12 Ų1241.5 Ų41.56%0.06422%0.218CC..THydrogen-bonded Turntrans-90.5-7.5165.5-70.7-28.2000113.4N910 K915 I924 N925 V927 R1465N910-N912 PolarHBondContact O-N 3.21Å; N910-N912 VanDerWaalsContact O-N 3.17Å; N910-N912 WeakPolarHBondContact OD1-CB 3.3Å; N910-N912 PolarHBondContact OD1-N 3.45Å; N912-K915 PolarHBondContact OD1-NZ 2.84Å; N912-I924 HydrophobicContact CB-CG2 4.15Å; N912-I924 VanDerWaalsContact ND2-CG2 3.32Å; N912-I924 WeakPolarHBondContact ND2-CG2 3.33Å; N912-N925 PolarHBondContact ND2-O 2.78Å; N912-N925 PolarHBondContact OD1-O 3.4Å; N912-V927 WeakPolarHBondContact ND2-CG2 3.34Å; N912-V927 WeakPolarHBondContact OD1-CG2 3.17Å; N912-R1465 PolarHBondContact O-NH1 2.99Å
913L72.1Confident76.7Confident5 Ų543.6 Ų43.63%0.02623%0.228CC..SBendtrans-93.9-4.1172-71.8174.9000113.4T791 V795 N910T791-L913 VanDerWaalsContact CB-O 3.31Å; T791-L913 WeakPolarHBondContact CB-O 3.4Å; T791-L913 WeakPolarHBondContact CG2-O 3.29Å; V795-L913 HydrophobicContact CG1-CD1 4.38Å; V795-L913 HydrophobicContact CG2-CD2 4.26Å; N910-L913 HydrophobicContact CB-CD1 4.08Å; N910-L913 HydrophobicContact CB-CG 4.31Å; N910-L913 PolarHBondContact O-N 3.19Å
914S63Low76.9Confident21 Ų2144.1 Ų44.115%0.14723%0.231CC..SBendtrans-105.2-1.4179.659.60000114.8D911D911-S914 PolarHBondContact O-OG 3.43Å
915K66.9Low77.1Confident96 Ų9648 Ų4842%0.41725%0.251SS..SBendtrans-109.2141.5-175-64.2169-170.3145.30111D911 N912 I917D911-K915 WeakPolarHBondContact O-CD 3.49Å; D911-K915 WeakPolarHBondContact O-CE 3.46Å; D911-K915 PolarHBondContact O-NZ 2.87Å; N912-K915 PolarHBondContact OD1-NZ 2.84Å; K915-I917 PolarHBondContact O-N 2.93Å
916D64.8Low77.1Confident84 Ų8451.1 Ų51.145%0.44927%0.268SS..PPolyproline II helixtrans-62.8126.8167-90.7-13.9000109.5R786R786-D916 WeakPolarHBondContact CD-OD2 3.3Å; R786-D916 IonicContact NH1-OD2 2.78Å; R786-D916 PolarHBondContact NH1-OD2 3.09Å; R786-D916 VanDerWaalsContact NH1-OD2 3.14Å
917I68.2Low77.1Confident19 Ų1951.4 Ų51.410%0.09727%0.27CS..PPolyproline II helixtrans-85138.6175.3-58.8-175.2000108.6K915 Q921 V1461 R1465 F1466 Q1469K915-I917 PolarHBondContact O-N 2.93Å; I917-Q921 HydrophobicContact CG2-CB 3.9Å; I917-Q921 HydrophobicContact CG2-CG 4.3Å; I917-V1461 HydrophobicContact CD1-CG1 3.73Å; I917-V1461 HydrophobicContact CG2-CG1 4.42Å; I917-R1465 HydrophobicContact CD1-CB 3.62Å; I917-R1465 HydrophobicContact CD1-CG 4.24Å; I917-F1466 HydrophobicContact CG2-CE1 3.76Å; I917-F1466 HydrophobicContact CG2-CZ 4.17Å; I917-Q1469 PolarHBondContact O-NE2 3.16Å
918L70.7Confident77.6Confident124 Ų12455.2 Ų55.265%0.64929%0.294SS*.PPolyproline II helixtrans-76.8143.8175.8-66.7169.1000110.2N920 Q921L918-N920 PolarHBondContact O-N 3.11Å; L918-Q921 HydrophobicContact CB-CB 4.18Å; L918-Q921 VanDerWaalsContact O-CB 3.25Å; L918-Q921 WeakPolarHBondContact O-CB 3.24Å; L918-Q921 PolarHBondContact O-N 2.78Å
919P61.7Low77.9Confident102 Ų10253.4 Ų53.466%0.66229%0.288SS*.THydrogen-bonded Turntrans-55.2-26.6-176.9-28.835.9000115.2
920N68Low77.7Confident151 Ų15161 Ų6181%0.80732%0.324SS*.THydrogen-bonded Turntrans-10210.8-179-57.818.2000112.5L918 L922L918-N920 PolarHBondContact O-N 3.11Å; N920-L922 PolarHBondContact O-N 2.91Å
921Q75.1Confident77.8Confident39 Ų3966 Ų6618%0.18235%0.347CS..  trans-82.6101.4-178.5-177.6-180-17.400110.9I917 L918 H923 N925 V1461I917-Q921 HydrophobicContact CG2-CB 3.9Å; I917-Q921 HydrophobicContact CG2-CG 4.3Å; L918-Q921 HydrophobicContact CB-CB 4.18Å; L918-Q921 VanDerWaalsContact O-CB 3.25Å; L918-Q921 WeakPolarHBondContact O-CB 3.24Å; L918-Q921 PolarHBondContact O-N 2.78Å; Q921-H923 VanDerWaalsContact CG-O 3.27Å; Q921-H923 WeakPolarHBondContact CG-O 3.46Å; Q921-H923 PolarHBondContact NE2-O 2.96Å; Q921-N925 PolarHBondContact NE2-ND2 2.81Å; Q921-N925 VanDerWaalsContact NE2-ND2 3.2Å; Q921-V1461 HydrophobicContact CG-CG2 4.49Å; Q921-V1461 WeakPolarHBondContact O-CG2 3.42Å
922L77.3Confident78.1Confident107 Ų10768.3 Ų68.356%0.5635%0.352SS*.  trans-72.6-35.4178.6-62.4174000113.3N920 N1460 V1461N920-L922 PolarHBondContact O-N 2.91Å; L922-N1460 WeakPolarHBondContact O-CA 2.9Å; L922-V1461 PolarHBondContact O-N 3.35Å
923H87.2Confident78.5Confident46 Ų4671.7 Ų71.721%0.21337%0.371CS..BIsolated β-bridgetrans-119.4153.1-168.7-48.2116.8000114.1Q921 D1458 L1459 N1460Q921-H923 VanDerWaalsContact CG-O 3.27Å; Q921-H923 WeakPolarHBondContact CG-O 3.46Å; Q921-H923 PolarHBondContact NE2-O 2.96Å; H923-D1458 HydrophobicContact CB-CB 4.14Å; H923-L1459 CarbonylContact C-O 3.56Å; H923-L1459 WeakPolarHBondContact CA-O 3.35Å; H923-N1460 PolarHBondContact CD2-OD1 3.48Å
924I87.1Confident79.3Confident12 Ų1272.8 Ų72.86%0.06238%0.375CS..PPolyproline II helixtrans-81.6129.5178-55.6178.1000109.9N912 E1008 T1012 L1459 V1461N912-I924 HydrophobicContact CB-CG2 4.15Å; N912-I924 VanDerWaalsContact ND2-CG2 3.32Å; N912-I924 WeakPolarHBondContact ND2-CG2 3.33Å; I924-E1008 HydrophobicContact CD1-CG 4.13Å; I924-T1012 HydrophobicContact CG2-CG2 4Å; I924-L1459 HydrophobicContact CB-CB 4.28Å; I924-L1459 HydrophobicContact CD1-CB 4.1Å; I924-L1459 HydrophobicContact CG1-CB 4.31Å; I924-L1459 PolarHBondContact N-O 2.73Å; I924-V1461 HydrophobicContact CG1-CG2 4Å
925N85.5Confident80.7Confident93 Ų9371.8 Ų71.850%0.49737%0.368SS..PPolyproline II helixtrans-75.2144.3-177.3-66.8-46000112.8N912 Q921N912-N925 PolarHBondContact ND2-O 2.78Å; N912-N925 PolarHBondContact OD1-O 3.4Å; Q921-N925 PolarHBondContact NE2-ND2 2.81Å; Q921-N925 VanDerWaalsContact NE2-ND2 3.2Å
926N87.9Confident81.8Confident66 Ų6670.4 Ų70.435%0.35336%0.363SS..PPolyproline II helixtrans-69.1146.2170.2-70-41000111.9T1012 F1014N926-T1012 CarbonylContact C-O 3.05Å; N926-T1012 VanDerWaalsContact CA-O 3.3Å; N926-T1012 WeakPolarHBondContact CA-O 3.43Å; N926-T1012 WeakPolarHBondContact OD1-CA 3.37Å; N926-T1012 PolarHBondContact OD1-O 3.39Å; N926-F1014 HydrophobicContact CB-CD1 4.12Å; N926-F1014 HydrophobicContact CB-CE1 3.8Å
927V88Confident83Confident7 Ų766.4 Ų66.44%0.04234%0.341CS..EExtended strand (participates in β ladder)trans-118.5112.6-172.4-178.20000111.2D911 N912 I929 T1012 H1013 F1014D911-V927 HydrophobicContact CB-CG1 4.19Å; N912-V927 WeakPolarHBondContact ND2-CG2 3.34Å; N912-V927 WeakPolarHBondContact OD1-CG2 3.17Å; V927-I929 PolarHBondContact O-N 2.74Å; V927-T1012 PolarHBondContact N-O 2.73Å; V927-H1013 HydrophobicContact CB-CB 4.46Å; V927-H1013 WeakPolarHBondContact O-CA 3.38Å; V927-F1014 VanDerWaalsContact C-CE1 3.46Å; V927-F1014 VanDerWaalsContact O-CD1 3.3Å; V927-F1014 WeakPolarHBondContact O-CD1 3.43Å; V927-F1014 PolarHBondContact O-N 2.95Å
928P89.3Confident84.1Confident79 Ų7965.7 Ų65.751%0.51334%0.338SS..EExtended strand (participates in β ladder)trans-76.1115.2174.528.9-32.1000111.1F1014P928-F1014 HydrophobicContact CB-CE1 4.11Å; P928-F1014 HydrophobicContact CB-CE2 4.04Å; P928-F1014 HydrophobicContact CB-CZ 3.66Å; P928-F1014 HydrophobicContact CG-CZ 4.36Å
929I88.8Confident85Confident10 Ų1061 Ų615%0.05131%0.313CS..  trans-73.7131.6166.5-64.4164.9000108V927 Q931 Q934 Y935 I938 H1013 F1014 Y1015 L1332V927-I929 PolarHBondContact O-N 2.74Å; I929-Q931 WeakPolarHBondContact CG2-O 3.22Å; I929-Q934 HydrophobicContact CG2-CB 4.04Å; I929-Q934 HydrophobicContact CG2-CG 4.12Å; I929-Y935 HydrophobicContact CD1-CD2 3.86Å; I929-I938 HydrophobicContact CD1-CD1 3.87Å; I929-I938 HydrophobicContact CG1-CD1 4.27Å; I929-H1013 HydrophobicContact CD1-CB 3.92Å; I929-H1013 HydrophobicContact CG1-CB 4.35Å; I929-F1014 PolarHBondContact N-O 3.17Å; I929-Y1015 HydrophobicContact CB-CD2 4.38Å; I929-Y1015 HydrophobicContact CG2-CD2 4.23Å; I929-Y1015 VanDerWaalsContact O-CD2 3.27Å; I929-Y1015 WeakPolarHBondContact O-CD2 3.01Å; I929-L1332 HydrophobicContact CD1-CD1 4.15Å; I929-L1332 HydrophobicContact CD1-CG 4.32Å
930Q84.5Confident86.4Confident165 Ų16557.7 Ų57.777%0.77129%0.287SS*.  trans-90.7-25.5-174.3-64.1-172.54.100113.9
931Q87.5Confident87.5Confident104 Ų10450.5 Ų50.549%0.48625%0.249SC..  trans-121.8135.7-172.4-62.6-177.4-1.100112.2I929 D933 Q934 Y935I929-Q931 WeakPolarHBondContact CG2-O 3.22Å; Q931-D933 VanDerWaalsContact C-N 3.28Å; Q931-D933 PolarHBondContact O-N 2.75Å; Q931-Q934 HydrophobicContact CB-CB 3.96Å; Q931-Q934 WeakPolarHBondContact O-CB 3.3Å; Q931-Q934 PolarHBondContact O-N 3.42Å; Q931-Y935 PolarHBondContact O-N 3.32Å
932W86.6Confident88.2Confident92 Ų9248.7 Ų48.735%0.34824%0.24SC..Hα-helixtrans-61.6-35.6178.1-179.5-130.2000112.7Y935 K936 Y1015 L1017W932-Y935 AromaticContact CE3-CD1 3.7Å; W932-Y935 HydrophobicContact CE3-CD1 3.7Å; W932-Y935 HydrophobicContact CE3-CE1 4.45Å; W932-Y935 HydrophobicContact CE3-CG 4.25Å; W932-Y935 HydrophobicContact CH2-CD1 4.15Å; W932-Y935 HydrophobicContact CH2-CE1 4.24Å; W932-Y935 AromaticContact CZ3-CD1 3.32Å; W932-Y935 HydrophobicContact CZ3-CD1 3.32Å; W932-Y935 AromaticContact CZ3-CE1 3.64Å; W932-Y935 HydrophobicContact CZ3-CE1 3.64Å; W932-Y935 HydrophobicContact CZ3-CG 4.21Å; W932-Y935 PolarHBondContact O-N 3.16Å; W932-K936 HydrophobicContact CD2-CD 4.31Å; W932-K936 HydrophobicContact CD2-CG 4.35Å; W932-K936 HydrophobicContact CZ2-CD 4.19Å; W932-K936 HydrophobicContact CZ2-CG 4.31Å; W932-K936 WeakPolarHBondContact O-CE 3.41Å; W932-K936 WeakPolarHBondContact O-CG 3.29Å; W932-K936 PolarHBondContact O-N 2.66Å; W932-Y1015 HydrophobicContact CB-CE1 4.06Å; W932-Y1015 HydrophobicContact CD2-CE1 4.19Å; W932-Y1015 AromaticContact CE3-CD1 3.5Å; W932-Y1015 HydrophobicContact CE3-CD1 3.5Å; W932-Y1015 AromaticContact CE3-CE1 3.5Å; W932-Y1015 HydrophobicContact CE3-CE1 3.5Å; W932-Y1015 VanDerWaalsContact CE3-CE1 3.5Å; W932-Y1015 HydrophobicContact CE3-CG 4.34Å; W932-Y1015 HydrophobicContact CG-CE1 4.46Å; W932-Y1015 AromaticContact CZ3-CD1 3.93Å; W932-Y1015 HydrophobicContact CZ3-CD1 3.93Å; W932-Y1015 HydrophobicContact CZ3-CE1 4.28Å; W932-L1017 HydrophobicContact CZ3-CD2 4.4Å
933D88.8Confident88.7Confident84 Ų8445.3 Ų45.345%0.44922%0.221SC..Hα-helixtrans-70.1-36.7176.4-62.6-52.6000112.2G881 Q931 K936 A937G881-D933 VanDerWaalsContact CA-C 3.41Å; G881-D933 WeakPolarHBondContact CA-O 3.3Å; Q931-D933 VanDerWaalsContact C-N 3.28Å; Q931-D933 PolarHBondContact O-N 2.75Å; D933-K936 WeakPolarHBondContact OD1-CE 3.46Å; D933-K936 IonicContact OD1-NZ 3.01Å; D933-K936 PolarHBondContact OD1-NZ 3.32Å; D933-A937 VanDerWaalsContact O-CB 3.3Å; D933-A937 WeakPolarHBondContact O-CB 3.48Å; D933-A937 PolarHBondContact O-N 2.9Å
934Q89.6Confident88.8Confident27 Ų2744.3 Ų44.313%0.12622%0.216CC..Hα-helixtrans-63.4-44170.7-170.5-172.15.200111.4I929 Q931 A937 I938I929-Q934 HydrophobicContact CG2-CB 4.04Å; I929-Q934 HydrophobicContact CG2-CG 4.12Å; Q931-Q934 HydrophobicContact CB-CB 3.96Å; Q931-Q934 WeakPolarHBondContact O-CB 3.3Å; Q931-Q934 PolarHBondContact O-N 3.42Å; Q934-A937 PolarHBondContact O-N 3.46Å; Q934-I938 HydrophobicContact CG-CD1 4Å; Q934-I938 WeakPolarHBondContact O-CG1 3.31Å; Q934-I938 PolarHBondContact O-N 3.14Å
935Y91.1Very high88.9Confident0 Ų043.7 Ų43.70%021%0.213CC..Hα-helixtrans-57.4-52.5175.4179.7-96000111.6I929 Q931 W932 A937 I938 L939 Y1015 T1330 Y1331 L1332 D1335I929-Y935 HydrophobicContact CD1-CD2 3.86Å; Q931-Y935 PolarHBondContact O-N 3.32Å; W932-Y935 AromaticContact CE3-CD1 3.7Å; W932-Y935 HydrophobicContact CE3-CD1 3.7Å; W932-Y935 HydrophobicContact CE3-CE1 4.45Å; W932-Y935 HydrophobicContact CE3-CG 4.25Å; W932-Y935 HydrophobicContact CH2-CD1 4.15Å; W932-Y935 HydrophobicContact CH2-CE1 4.24Å; W932-Y935 AromaticContact CZ3-CD1 3.32Å; W932-Y935 HydrophobicContact CZ3-CD1 3.32Å; W932-Y935 AromaticContact CZ3-CE1 3.64Å; W932-Y935 HydrophobicContact CZ3-CE1 3.64Å; W932-Y935 HydrophobicContact CZ3-CG 4.21Å; W932-Y935 PolarHBondContact O-N 3.16Å; Y935-A937 VanDerWaalsContact C-N 3.3Å; Y935-A937 PolarHBondContact O-N 2.99Å; Y935-I938 PolarHBondContact O-N 2.97Å; Y935-L939 HydrophobicContact CE1-CD2 4.26Å; Y935-L939 VanDerWaalsContact O-CB 3.27Å; Y935-L939 WeakPolarHBondContact O-CB 3.37Å; Y935-L939 PolarHBondContact O-N 3.33Å; Y935-Y1015 HydrophobicContact CD2-CG 4.24Å; Y935-Y1015 HydrophobicContact CG-CG 4.21Å; Y935-T1330 WeakPolarHBondContact OH-CG2 3.23Å; Y935-Y1331 PolarHBondContact OH-O 2.95Å; Y935-L1332 HydrophobicContact CD2-CD2 3.67Å; Y935-L1332 HydrophobicContact CD2-CG 4.25Å; Y935-L1332 HydrophobicContact CE2-CD2 3.4Å; Y935-L1332 VanDerWaalsContact CE2-CD2 3.4Å; Y935-L1332 HydrophobicContact CE2-CG 3.84Å; Y935-L1332 HydrophobicContact CG-CD2 4.36Å; Y935-D1335 VanDerWaalsContact CE1-OD2 3.32Å; Y935-D1335 WeakPolarHBondContact CE1-OD2 3.41Å; Y935-D1335 PolarHBondContact OH-OD2 2.92Å; Y935-D1335 VanDerWaalsContact OH-OD2 3.08Å
936K89.9Confident89Confident68 Ų6839.4 Ų39.430%0.29619%0.191SC..Hα-helixtrans-60.3-35.5176.3-70.1175.5-64.9178.70113.1I883 W932 D933 W940I883-K936 HydrophobicContact CD1-CB 4.39Å; W932-K936 HydrophobicContact CD2-CD 4.31Å; W932-K936 HydrophobicContact CD2-CG 4.35Å; W932-K936 HydrophobicContact CZ2-CD 4.19Å; W932-K936 HydrophobicContact CZ2-CG 4.31Å; W932-K936 WeakPolarHBondContact O-CE 3.41Å; W932-K936 WeakPolarHBondContact O-CG 3.29Å; W932-K936 PolarHBondContact O-N 2.66Å; D933-K936 WeakPolarHBondContact OD1-CE 3.46Å; D933-K936 IonicContact OD1-NZ 3.01Å; D933-K936 PolarHBondContact OD1-NZ 3.32Å; K936-W940 WeakPolarHBondContact O-CB 3.44Å; K936-W940 PolarHBondContact O-N 2.84Å
937A91.4Very high89Confident0 Ų039.9 Ų39.90%019%0.193CC..Hα-helixtrans-71.5-40.1178.600000112.8I878 I883 D933 Q934 Y935 T941I878-A937 HydrophobicContact CG2-CB 4.13Å; I883-A937 HydrophobicContact CG1-CB 4.08Å; D933-A937 VanDerWaalsContact O-CB 3.3Å; D933-A937 WeakPolarHBondContact O-CB 3.48Å; D933-A937 PolarHBondContact O-N 2.9Å; Q934-A937 PolarHBondContact O-N 3.46Å; Y935-A937 VanDerWaalsContact C-N 3.3Å; Y935-A937 PolarHBondContact O-N 2.99Å; A937-T941 WeakPolarHBondContact O-CB 3.38Å; A937-T941 PolarHBondContact O-N 2.96Å; A937-T941 VanDerWaalsContact O-N 3.11Å; A937-T941 PolarHBondContact O-OG1 3.1Å
938I91.3Very high89Confident4 Ų439.6 Ų39.62%0.02119%0.192CC..Hα-helixtrans-66.7-48173.2-62.7166.1000109.5I878 I929 Q934 Y935 W940 T941 L942 V1009 L1332I878-I938 HydrophobicContact CG2-CG1 3.7Å; I929-I938 HydrophobicContact CD1-CD1 3.87Å; I929-I938 HydrophobicContact CG1-CD1 4.27Å; Q934-I938 HydrophobicContact CG-CD1 4Å; Q934-I938 WeakPolarHBondContact O-CG1 3.31Å; Q934-I938 PolarHBondContact O-N 3.14Å; Y935-I938 PolarHBondContact O-N 2.97Å; I938-W940 PolarHBondContact O-N 3.16Å; I938-T941 WeakPolarHBondContact O-CA 3.16Å; I938-T941 WeakPolarHBondContact O-CB 3.47Å; I938-T941 PolarHBondContact O-N 3.02Å; I938-L942 HydrophobicContact CG2-CD1 4.05Å; I938-L942 HydrophobicContact CG2-CG 4.23Å; I938-L942 WeakPolarHBondContact O-CG 3.49Å; I938-L942 PolarHBondContact O-N 3.28Å; I938-V1009 HydrophobicContact CG2-CG1 4.16Å; I938-L1332 HydrophobicContact CB-CD1 4.4Å; I938-L1332 HydrophobicContact CG2-CD1 3.54Å; I938-L1332 HydrophobicContact CG2-CD2 4.46Å
939L89.3Confident88.9Confident25 Ų2536 Ų3613%0.13117%0.168CC..Hα-helixtrans-53.2-48175.9178.863000112.4Y935 T941 L942 K943 L1332 D1335 I1336Y935-L939 HydrophobicContact CE1-CD2 4.26Å; Y935-L939 VanDerWaalsContact O-CB 3.27Å; Y935-L939 WeakPolarHBondContact O-CB 3.37Å; Y935-L939 PolarHBondContact O-N 3.33Å; L939-T941 VanDerWaalsContact C-N 3.31Å; L939-T941 PolarHBondContact O-N 2.92Å; L939-L942 PolarHBondContact O-N 3.42Å; L939-K943 WeakPolarHBondContact O-CG 3.2Å; L939-K943 PolarHBondContact O-N 3.42Å; L939-K943 VanDerWaalsContact O-N 3.12Å; L939-L1332 HydrophobicContact CB-CD2 3.96Å; L939-L1332 HydrophobicContact CD1-CD2 4.46Å; L939-D1335 HydrophobicContact CD1-CB 3.95Å; L939-D1335 HydrophobicContact CD2-CB 3.81Å; L939-I1336 HydrophobicContact CD1-CB 4.49Å; L939-I1336 HydrophobicContact CD1-CD1 4.48Å; L939-I1336 HydrophobicContact CD1-CG1 3.49Å; L939-I1336 VanDerWaalsContact CD1-CG1 3.49Å
940W89.8Confident88.8Confident33 Ų3338.7 Ų38.713%0.12518%0.18CC..Hα-helixtrans-59.6-41.6175.4174.178.4000112.4L874 I883 P884 R889 I892 K936 I938 K943 Q944L874-W940 HydrophobicContact CD1-CZ3 4.46Å; I883-W940 HydrophobicContact CD1-CB 4.41Å; I883-W940 HydrophobicContact CG2-CB 4.46Å; I883-W940 HydrophobicContact CG2-CD2 3.78Å; I883-W940 HydrophobicContact CG2-CE3 4.16Å; I883-W940 HydrophobicContact CG2-CG 3.87Å; P884-W940 HydrophobicContact CB-CH2 4.37Å; P884-W940 VanDerWaalsContact CD-CZ3 3.47Å; P884-W940 HydrophobicContact CG-CE3 4.48Å; P884-W940 HydrophobicContact CG-CH2 3.82Å; P884-W940 HydrophobicContact CG-CZ3 3.67Å; R889-W940 HydrophobicContact CB-CZ2 4.2Å; R889-W940 HydrophobicContact CG-CH2 4.19Å; R889-W940 HydrophobicContact CG-CZ2 3.58Å; I892-W940 HydrophobicContact CD1-CH2 4.48Å; I892-W940 HydrophobicContact CG2-CH2 4.22Å; K936-W940 WeakPolarHBondContact O-CB 3.44Å; K936-W940 PolarHBondContact O-N 2.84Å; I938-W940 PolarHBondContact O-N 3.16Å; W940-K943 PolarHBondContact O-N 2.89Å; W940-Q944 HydrophobicContact CD2-CG 4.11Å; W940-Q944 HydrophobicContact CE3-CG 4.42Å; W940-Q944 HydrophobicContact CH2-CG 3.73Å; W940-Q944 HydrophobicContact CZ2-CG 3.35Å; W940-Q944 HydrophobicContact CZ3-CG 4.24Å; W940-Q944 WeakPolarHBondContact O-CG 3.21Å; W940-Q944 PolarHBondContact O-N 2.87Å; W940-Q944 VanDerWaalsContact O-N 3.11Å; W940-Q944 PolarHBondContact O-NE2 3.04Å; W940-Q944 VanDerWaalsContact O-NE2 3.13Å
941T90.9Very high88.8Confident0 Ų033.1 Ų33.10%015%0.153CC..Hα-helixtrans-65.7-46.3-178.9-58.40000111.4I878 L905 I909 A937 I938 L939 K943 Q944 M945I878-T941 HydrophobicContact CD1-CG2 3.83Å; I878-T941 WeakPolarHBondContact CD1-OG1 3.48Å; I878-T941 WeakPolarHBondContact CG1-OG1 3.26Å; L905-T941 HydrophobicContact CD2-CG2 3.74Å; L905-T941 HydrophobicContact CG-CG2 4.28Å; I909-T941 HydrophobicContact CD1-CG2 4.17Å; A937-T941 WeakPolarHBondContact O-CB 3.38Å; A937-T941 PolarHBondContact O-N 2.96Å; A937-T941 VanDerWaalsContact O-N 3.11Å; A937-T941 PolarHBondContact O-OG1 3.1Å; I938-T941 WeakPolarHBondContact O-CA 3.16Å; I938-T941 WeakPolarHBondContact O-CB 3.47Å; I938-T941 PolarHBondContact O-N 3.02Å; L939-T941 VanDerWaalsContact C-N 3.31Å; L939-T941 PolarHBondContact O-N 2.92Å; T941-K943 VanDerWaalsContact C-N 3.33Å; T941-K943 PolarHBondContact O-N 3.29Å; T941-Q944 PolarHBondContact O-N 3.29Å; T941-M945 HydrophobicContact CG2-CE 3.81Å; T941-M945 HydrophobicContact CG2-SD 4.4Å; T941-M945 WeakPolarHBondContact O-CG 3.45Å; T941-M945 PolarHBondContact O-N 3.5Å
942L89.7Confident88.5Confident0 Ų028.3 Ų28.30%013%0.13CC..Hα-helixtrans-61.4-41.2177-64.3179.2000111.1I938 L939 Q944 M945 I946 L1006 V1009 L1332 I1336I938-L942 HydrophobicContact CG2-CD1 4.05Å; I938-L942 HydrophobicContact CG2-CG 4.23Å; I938-L942 WeakPolarHBondContact O-CG 3.49Å; I938-L942 PolarHBondContact O-N 3.28Å; L939-L942 PolarHBondContact O-N 3.42Å; L942-Q944 VanDerWaalsContact C-N 3.29Å; L942-Q944 PolarHBondContact O-N 3.49Å; L942-M945 HydrophobicContact CD2-SD 4.02Å; L942-M945 PolarHBondContact O-N 2.93Å; L942-I946 WeakPolarHBondContact O-CG1 3.06Å; L942-I946 PolarHBondContact O-N 2.92Å; L942-L1006 HydrophobicContact CD2-CD1 4.24Å; L942-L1006 HydrophobicContact CD2-CG 4.07Å; L942-V1009 HydrophobicContact CD1-CG1 4.06Å; L942-V1009 HydrophobicContact CD2-CB 4.5Å; L942-V1009 HydrophobicContact CD2-CG1 4.4Å; L942-L1332 HydrophobicContact CD1-CD1 3.86Å; L942-I1336 HydrophobicContact CB-CD1 4.09Å; L942-I1336 HydrophobicContact CD1-CD1 3.72Å
943K88.5Confident88.2Confident37 Ų3725.6 Ų25.616%0.16112%0.121CC..Hα-helixtrans-61.8-32.5172.9-67.3-167.7-179.5-162.20112.7L939 W940 T941 N947 D1335 T1339 L1341L939-K943 WeakPolarHBondContact O-CG 3.2Å; L939-K943 PolarHBondContact O-N 3.42Å; L939-K943 VanDerWaalsContact O-N 3.12Å; W940-K943 PolarHBondContact O-N 2.89Å; T941-K943 VanDerWaalsContact C-N 3.33Å; T941-K943 PolarHBondContact O-N 3.29Å; K943-N947 VanDerWaalsContact O-CG 3.3Å; K943-N947 PolarHBondContact O-N 3.02Å; K943-N947 PolarHBondContact O-ND2 3.32Å; K943-N947 PolarHBondContact O-OD1 2.91Å; K943-D1335 WeakPolarHBondContact CE-O 3.5Å; K943-D1335 PolarHBondContact NZ-O 2.9Å; K943-T1339 PolarHBondContact NZ-O 3.15Å; K943-T1339 VanDerWaalsContact NZ-O 3.08Å; K943-T1339 PolarHBondContact NZ-OG1 2.92Å; K943-L1341 HydrophobicContact CD-CD1 3.57Å; K943-L1341 HydrophobicContact CG-CD1 3.79Å
944Q88.9Confident87.5Confident24 Ų2427.8 Ų27.811%0.11212%0.123CC..Hα-helixtrans-75.4-33.2173.5-57.7-29.5-72.800113.3N893 L896 W940 T941 L942 N947 G948N893-Q944 PolarHBondContact ND2-OE1 3.39Å; N893-Q944 WeakPolarHBondContact OD1-CB 3.44Å; N893-Q944 VanDerWaalsContact OD1-CG 3.31Å; N893-Q944 WeakPolarHBondContact OD1-CG 3.27Å; N893-Q944 PolarHBondContact OD1-OE1 3.35Å; L896-Q944 HydrophobicContact CD1-CB 3.89Å; W940-Q944 HydrophobicContact CD2-CG 4.11Å; W940-Q944 HydrophobicContact CE3-CG 4.42Å; W940-Q944 HydrophobicContact CH2-CG 3.73Å; W940-Q944 HydrophobicContact CZ2-CG 3.35Å; W940-Q944 HydrophobicContact CZ3-CG 4.24Å; W940-Q944 WeakPolarHBondContact O-CG 3.21Å; W940-Q944 PolarHBondContact O-N 2.87Å; W940-Q944 VanDerWaalsContact O-N 3.11Å; W940-Q944 PolarHBondContact O-NE2 3.04Å; W940-Q944 VanDerWaalsContact O-NE2 3.13Å; T941-Q944 PolarHBondContact O-N 3.29Å; L942-Q944 VanDerWaalsContact C-N 3.29Å; L942-Q944 PolarHBondContact O-N 3.49Å; Q944-N947 WeakPolarHBondContact O-CB 3.36Å; Q944-N947 PolarHBondContact O-N 3.36Å; Q944-N947 PolarHBondContact OE1-ND2 3.26Å; Q944-G948 PolarHBondContact O-N 3.47Å; Q944-G948 VanDerWaalsContact O-N 3.07Å
945M89.3Confident86Confident0 Ų030.9 Ų30.90%015%0.146CC..Hα-helixtrans-67-36.8173.6-70172.3173.600112L896 L905 I906 I909 T941 L942 N947 G948 L949 L1006L896-M945 HydrophobicContact CD1-CG 4.18Å; L896-M945 HydrophobicContact CD2-CG 4.38Å; L905-M945 HydrophobicContact CB-CE 3.67Å; L905-M945 HydrophobicContact CD2-CE 3.63Å; L905-M945 HydrophobicContact CG-CE 3.55Å; I906-M945 HydrophobicContact CD1-CE 4.38Å; I906-M945 HydrophobicContact CD1-SD 4.01Å; I906-M945 HydrophobicContact CG1-CE 3.49Å; I906-M945 VanDerWaalsContact CG1-CE 3.49Å; I906-M945 HydrophobicContact CG1-SD 3.58Å; I906-M945 VanDerWaalsContact CG1-SD 3.58Å; I909-M945 HydrophobicContact CD1-CE 4.26Å; T941-M945 HydrophobicContact CG2-CE 3.81Å; T941-M945 HydrophobicContact CG2-SD 4.4Å; T941-M945 WeakPolarHBondContact O-CG 3.45Å; T941-M945 PolarHBondContact O-N 3.5Å; L942-M945 HydrophobicContact CD2-SD 4.02Å; L942-M945 PolarHBondContact O-N 2.93Å; M945-N947 VanDerWaalsContact C-N 3.34Å; M945-G948 CarbonylContact O-C 3.46Å; M945-G948 WeakPolarHBondContact O-CA 3.23Å; M945-G948 PolarHBondContact O-N 2.87Å; M945-L949 PolarHBondContact O-N 2.75Å; M945-L1006 HydrophobicContact CB-CD1 3.34Å; M945-L1006 HydrophobicContact CG-CD1 4.33Å; M945-L1006 HydrophobicContact SD-CD1 4.07Å
946I88.8Confident84.4Confident3 Ų336.5 Ų36.52%0.01518%0.176CC..Hα-helixtrans-63.1-40.9172.4-63.7167.9000110.6L942 G948 L949 E950 L1006 I1336 L1341L942-I946 WeakPolarHBondContact O-CG1 3.06Å; L942-I946 PolarHBondContact O-N 2.92Å; I946-G948 PolarHBondContact O-N 3.2Å; I946-L949 CarbonylContact O-C 3.58Å; I946-L949 PolarHBondContact O-N 3.36Å; I946-L949 VanDerWaalsContact O-N 3.09Å; I946-E950 PolarHBondContact O-N 2.96Å; I946-L1006 HydrophobicContact CD1-CD2 4.46Å; I946-L1006 HydrophobicContact CG1-CD1 4.07Å; I946-L1006 HydrophobicContact CG1-CD2 4.15Å; I946-I1336 HydrophobicContact CD1-CG2 3.91Å; I946-L1341 HydrophobicContact CB-CD2 4.37Å; I946-L1341 HydrophobicContact CD1-CD2 3.62Å; I946-L1341 HydrophobicContact CG2-CD2 3.85Å
947N87.2Confident82.8Confident75 Ų7534.4 Ų34.440%0.40117%0.167SC..Hα-helixtrans-59.7-32.5171.4-62.8-22.4000112.4K943 Q944 M945 Y951K943-N947 VanDerWaalsContact O-CG 3.3Å; K943-N947 PolarHBondContact O-N 3.02Å; K943-N947 PolarHBondContact O-ND2 3.32Å; K943-N947 PolarHBondContact O-OD1 2.91Å; Q944-N947 WeakPolarHBondContact O-CB 3.36Å; Q944-N947 PolarHBondContact O-N 3.36Å; Q944-N947 PolarHBondContact OE1-ND2 3.26Å; M945-N947 VanDerWaalsContact C-N 3.34Å; N947-Y951 PolarHBondContact O-N 3.02Å; N947-Y951 VanDerWaalsContact O-N 3.07Å
948G87.3Confident81Confident2 Ų236.7 Ų36.72%0.02118%0.181CC..Hα-helixtrans-68.9-39.4172.200000113.7L896 R902 Q944 M945 I946 Y951 S952L896-G948 WeakPolarHBondContact O-CA 3.38Å; R902-G948 PolarHBondContact NH1-O 3.03Å; Q944-G948 PolarHBondContact O-N 3.47Å; Q944-G948 VanDerWaalsContact O-N 3.07Å; M945-G948 CarbonylContact O-C 3.46Å; M945-G948 WeakPolarHBondContact O-CA 3.23Å; M945-G948 PolarHBondContact O-N 2.87Å; I946-G948 PolarHBondContact O-N 3.2Å; G948-Y951 WeakPolarHBondContact O-CB 3.41Å; G948-Y951 PolarHBondContact O-N 3.19Å; G948-S952 PolarHBondContact O-N 2.93Å
949L87.9Confident79.4Confident4 Ų437.7 Ų37.72%0.02119%0.186CC..Hα-helixtrans-70.1-39.8173.8-68.5167.2000111.9M945 I946 Y951 S952 F953 F1000 A1003 L1006 I1346M945-L949 PolarHBondContact O-N 2.75Å; I946-L949 CarbonylContact O-C 3.58Å; I946-L949 PolarHBondContact O-N 3.36Å; I946-L949 VanDerWaalsContact O-N 3.09Å; L949-Y951 PolarHBondContact O-N 3.02Å; L949-S952 WeakPolarHBondContact O-CB 3.25Å; L949-S952 PolarHBondContact O-N 3.48Å; L949-S952 VanDerWaalsContact O-N 3.14Å; L949-F953 WeakPolarHBondContact O-CB 3.44Å; L949-F953 PolarHBondContact O-N 2.92Å; L949-F1000 HydrophobicContact CD2-CD1 4.23Å; L949-A1003 HydrophobicContact CD1-CB 3.89Å; L949-A1003 HydrophobicContact CD2-CB 4.26Å; L949-L1006 HydrophobicContact CD1-CD1 4.35Å; L949-I1346 HydrophobicContact CB-CD1 4.16Å; L949-I1346 WeakPolarHBondContact O-CD1 3.43Å
950E86.9Confident77.3Confident65 Ų6538.9 Ų38.930%0.30420%0.195SC..Hα-helixtrans-62.9-28.9170.9-76.7-158.1153.100112.3I946 R954 S1344 K1345 I1346I946-E950 PolarHBondContact O-N 2.96Å; E950-R954 VanDerWaalsContact O-CG 3.32Å; E950-R954 WeakPolarHBondContact O-CG 3.42Å; E950-S1344 WeakPolarHBondContact OE1-CA 3.41Å; E950-S1344 WeakPolarHBondContact OE1-CB 3.44Å; E950-K1345 PolarHBondContact OE1-N 3.36Å; E950-K1345 VanDerWaalsContact OE1-N 3.16Å; E950-I1346 HydrophobicContact CG-CB 4Å; E950-I1346 HydrophobicContact CG-CG2 3.51Å
951Y84.1Confident75.1Confident48 Ų4838 Ų3819%0.18819%0.193CC..Hα-helixtrans-71.6-46.7168.8-174.4-94.3000111.6Q897 N947 G948 L949 F953 R954 I957 K996Q897-Y951 HydrophobicContact CB-CD1 3.6Å; Q897-Y951 HydrophobicContact CB-CE1 3.98Å; Q897-Y951 HydrophobicContact CB-CG 4.29Å; Q897-Y951 HydrophobicContact CG-CD1 3.47Å; Q897-Y951 VanDerWaalsContact CG-CD1 3.47Å; Q897-Y951 HydrophobicContact CG-CD2 4.33Å; Q897-Y951 HydrophobicContact CG-CE1 3.95Å; Q897-Y951 HydrophobicContact CG-CG 3.69Å; Q897-Y951 VanDerWaalsContact OE1-CZ 3.3Å; N947-Y951 PolarHBondContact O-N 3.02Å; N947-Y951 VanDerWaalsContact O-N 3.07Å; G948-Y951 WeakPolarHBondContact O-CB 3.41Å; G948-Y951 PolarHBondContact O-N 3.19Å; L949-Y951 PolarHBondContact O-N 3.02Å; Y951-F953 PolarHBondContact O-N 3.04Å; Y951-R954 WeakPolarHBondContact O-CB 3.41Å; Y951-R954 WeakPolarHBondContact O-CG 3.4Å; Y951-R954 PolarHBondContact O-N 3.34Å; Y951-I957 HydrophobicContact CD1-CD1 3.85Å; Y951-I957 HydrophobicContact CD2-CD1 4.23Å; Y951-I957 HydrophobicContact CE1-CD1 3.31Å; Y951-I957 HydrophobicContact CE2-CD1 3.73Å; Y951-I957 HydrophobicContact CG-CD1 4.28Å; Y951-I957 WeakPolarHBondContact OH-CD1 3.45Å; Y951-K996 HydrophobicContact CE1-CD 4.19Å; Y951-K996 PolarHBondContact OH-NZ 2.95Å
952S81.6Confident72.7Confident3 Ų342.1 Ų42.12%0.02122%0.218CC..Hα-helixtrans-55.3-36.5173.7-86.40000113.4R902 G948 L949 R954 F959 G998R902-S952 PolarHBondContact NH2-OG 3.44Å; G948-S952 PolarHBondContact O-N 2.93Å; L949-S952 WeakPolarHBondContact O-CB 3.25Å; L949-S952 PolarHBondContact O-N 3.48Å; L949-S952 VanDerWaalsContact O-N 3.14Å; S952-R954 VanDerWaalsContact C-N 3.3Å; S952-R954 PolarHBondContact O-N 3.37Å; S952-F959 WeakPolarHBondContact O-CE2 3.5Å; S952-G998 VanDerWaalsContact CB-O 3.23Å; S952-G998 WeakPolarHBondContact CB-O 3.25Å; S952-G998 PolarHBondContact OG-O 2.82Å
953F80Confident70.3Confident35 Ų3543.5 Ų43.515%0.15423%0.226CC..THydrogen-bonded Turntrans-81.4-2.5-175.5-163.7-106000114.8L949 Y951 F1000 I1346 N1349 Q1351 F1352L949-F953 WeakPolarHBondContact O-CB 3.44Å; L949-F953 PolarHBondContact O-N 2.92Å; Y951-F953 PolarHBondContact O-N 3.04Å; F953-F1000 HydrophobicContact CB-CE1 3.94Å; F953-F1000 HydrophobicContact CB-CZ 4.18Å; F953-F1000 HydrophobicContact CD2-CE1 4.03Å; F953-F1000 AromaticContact CD2-CZ 3.87Å; F953-F1000 HydrophobicContact CD2-CZ 3.87Å; F953-I1346 HydrophobicContact CB-CD1 3.5Å; F953-I1346 VanDerWaalsContact CB-CD1 3.5Å; F953-I1346 HydrophobicContact CB-CG1 4.07Å; F953-I1346 HydrophobicContact CD1-CD1 4.43Å; F953-I1346 HydrophobicContact CD1-CG1 4.06Å; F953-I1346 HydrophobicContact CD2-CD1 4.41Å; F953-I1346 HydrophobicContact CD2-CG1 4.41Å; F953-I1346 HydrophobicContact CG-CD1 3.88Å; F953-I1346 HydrophobicContact CG-CG1 3.92Å; F953-N1349 HydrophobicContact CE1-CB 4.49Å; F953-N1349 WeakPolarHBondContact CE1-ND2 3.39Å; F953-Q1351 HydrophobicContact CZ-CB 4.37Å; F953-F1352 HydrophobicContact CD2-CB 4.08Å; F953-F1352 HydrophobicContact CD2-CD2 4.34Å; F953-F1352 HydrophobicContact CE2-CB 3.71Å; F953-F1352 HydrophobicContact CZ-CB 4.06Å
954R73.4Confident67.8Low131 Ų13144.3 Ų44.349%0.49423%0.23SC..  trans-65.2147-178.2-65.5-174.3171.9-153.5-3.4112.4E950 Y951 S952 D956 I957E950-R954 VanDerWaalsContact O-CG 3.32Å; E950-R954 WeakPolarHBondContact O-CG 3.42Å; Y951-R954 WeakPolarHBondContact O-CB 3.41Å; Y951-R954 WeakPolarHBondContact O-CG 3.4Å; Y951-R954 PolarHBondContact O-N 3.34Å; S952-R954 VanDerWaalsContact C-N 3.3Å; S952-R954 PolarHBondContact O-N 3.37Å; R954-D956 VanDerWaalsContact C-N 3.27Å; R954-D956 WeakPolarHBondContact CB-OD1 3.47Å; R954-D956 PolarHBondContact O-N 3.14Å; R954-I957 HydrophobicContact CB-CD1 4.29Å; R954-I957 HydrophobicContact CB-CG1 4.22Å; R954-I957 PolarHBondContact O-N 3.26Å
955P58.9Low65.4Low92 Ų9248.6 Ų48.660%0.59725%0.246SC*.THydrogen-bonded Turntrans-70.4-19.4-176.529.5-35.8000114.1K510 I957K510-P955 WeakPolarHBondContact CB-O 3.47Å; K510-P955 HydrophobicContact CD-CB 4.38Å; K510-P955 WeakPolarHBondContact CG-O 3.39Å; P955-I957 VanDerWaalsContact C-N 3.29Å; P955-I957 PolarHBondContact O-N 2.89Å
956D58Low63Low118 Ų11849.6 Ų49.663%0.63125%0.251SS*.THydrogen-bonded Turntrans-81.81.1179.156.6-62.8000114.4R954R954-D956 VanDerWaalsContact C-N 3.27Å; R954-D956 WeakPolarHBondContact CB-OD1 3.47Å; R954-D956 PolarHBondContact O-N 3.14Å
957I56.6Low60.6Low23 Ų2352.7 Ų52.712%0.11826%0.263CS..  trans-128.9132.8-170.3-38-172.4000111.4Y951 R954 P955 F959Y951-I957 HydrophobicContact CD1-CD1 3.85Å; Y951-I957 HydrophobicContact CD2-CD1 4.23Å; Y951-I957 HydrophobicContact CE1-CD1 3.31Å; Y951-I957 HydrophobicContact CE2-CD1 3.73Å; Y951-I957 HydrophobicContact CG-CD1 4.28Å; Y951-I957 WeakPolarHBondContact OH-CD1 3.45Å; R954-I957 HydrophobicContact CB-CD1 4.29Å; R954-I957 HydrophobicContact CB-CG1 4.22Å; R954-I957 PolarHBondContact O-N 3.26Å; P955-I957 VanDerWaalsContact C-N 3.29Å; P955-I957 PolarHBondContact O-N 2.89Å; I957-F959 HydrophobicContact CB-CE1 4.45Å; I957-F959 HydrophobicContact CB-CZ 4.07Å; I957-F959 HydrophobicContact CG2-CD1 4.27Å; I957-F959 HydrophobicContact CG2-CE1 3.31Å; I957-F959 HydrophobicContact CG2-CE2 4.36Å; I957-F959 HydrophobicContact CG2-CZ 3.36Å
958V53Low58.2Low48 Ų4855.6 Ų55.629%0.29128%0.277SS..  trans-132.7142.1-179.6167.50000109.6K510K510-V958 HydrophobicContact CB-CG2 3.91Å
959F58Low55.8Low26 Ų2658.1 Ų58.111%0.11430%0.298CS..  trans-122.4125.3-177.5-48.6-59.9000110.4S952 I957 K996 G998S952-F959 WeakPolarHBondContact O-CE2 3.5Å; I957-F959 HydrophobicContact CB-CE1 4.45Å; I957-F959 HydrophobicContact CB-CZ 4.07Å; I957-F959 HydrophobicContact CG2-CD1 4.27Å; I957-F959 HydrophobicContact CG2-CE1 3.31Å; I957-F959 HydrophobicContact CG2-CE2 4.36Å; I957-F959 HydrophobicContact CG2-CZ 3.36Å; F959-K996 HydrophobicContact CD1-CB 4.47Å; F959-K996 WeakPolarHBondContact CD1-O 3.22Å; F959-K996 HydrophobicContact CE1-CB 4.13Å; F959-G998 WeakPolarHBondContact CD2-O 3.36Å; F959-G998 WeakPolarHBondContact CE2-O 3.4Å
960P44.7Very low53.5Low50 Ų5061.4 Ų61.433%0.32531%0.31SS..  trans-76143.9170.231.2-32000110.8N488 L995N488-P960 HydrophobicContact CB-CB 4.46Å; N488-P960 WeakPolarHBondContact OD1-CB 3.44Å; P960-L995 HydrophobicContact CG-CB 4.19Å; P960-L995 HydrophobicContact CG-CD1 3.68Å; P960-L995 HydrophobicContact CG-CD2 3.78Å; P960-L995 HydrophobicContact CG-CG 4.07Å
961T43.9Very low51.1Low15 Ų1563.1 Ų63.19%0.09232%0.321CS..  trans-77150.3-179.245.30000114N488 N963 H964N488-T961 WeakPolarHBondContact O-CG2 3.4Å; T961-N963 PolarHBondContact O-N 2.87Å; T961-N963 VanDerWaalsContact O-N 3.13Å; T961-H964 PolarHBondContact O-N 3.42Å; T961-H964 VanDerWaalsContact O-N 3.14Å
962T40.7Very low48.6Very low86 Ų8669.8 Ų69.853%0.52835%0.351SS..THydrogen-bonded Turntrans-43.9-41.7165.548.90000113H964 Y965T962-H964 PolarHBondContact O-N 3.36Å; T962-Y965 PolarHBondContact O-N 3.35Å
963N37.7Very low46.1Very low28 Ų2873.6 Ų73.615%0.1538%0.377CS..Hα-helixtrans-53.4-22.4-179.7-79.8-20.8000116T961T961-N963 PolarHBondContact O-N 2.87Å; T961-N963 VanDerWaalsContact O-N 3.13Å
964H37.8Very low43.7Very low54 Ų5478.6 Ų78.625%0.2541%0.414CS..Hα-helixtrans-83-31.3-175.4-154.5-49.4000113.8T487 N488 T961 T962 D966T487-H964 PolarHBondContact OG1-NE2 2.85Å; N488-H964 PolarHBondContact OD1-CD2 3.24Å; T961-H964 PolarHBondContact O-N 3.42Å; T961-H964 VanDerWaalsContact O-N 3.14Å; T962-H964 PolarHBondContact O-N 3.36Å; H964-D966 PolarHBondContact O-N 2.86Å
965Y37.2Very low41.4Very low114 Ų11476.2 Ų76.245%0.44742%0.417SS..Hα-helixtrans-67.3-23179.3-82-75.7000113.2T962 L995T962-Y965 PolarHBondContact O-N 3.35Å; Y965-L995 WeakPolarHBondContact OH-CD1 3.07Å
966D39.1Very low40Very low21 Ų2176.6 Ų76.611%0.11242%0.422CS..Hα-helixtrans-84.1-41.6-177.7-143.752.8000111.4H964 I968 A969 R970 R1502H964-D966 PolarHBondContact O-N 2.86Å; D966-I968 PolarHBondContact O-N 3.05Å; D966-A969 PolarHBondContact O-N 2.81Å; D966-R970 VanDerWaalsContact O-CG 3.3Å; D966-R970 WeakPolarHBondContact O-CG 3.11Å; D966-R970 PolarHBondContact O-N 2.87Å; D966-R970 IonicContact OD2-CZ 3.31Å; D966-R970 IonicContact OD2-NE 3.01Å; D966-R970 PolarHBondContact OD2-NE 3.43Å; D966-R970 IonicContact OD2-NH2 2.66Å; D966-R970 PolarHBondContact OD2-NH2 2.71Å; D966-R1502 IonicContact OD1-CZ 3.4Å; D966-R1502 VanDerWaalsContact OD1-CZ 3.24Å; D966-R1502 IonicContact OD1-NE 2.73Å; D966-R1502 PolarHBondContact OD1-NE 3.27Å; D966-R1502 IonicContact OD1-NH2 3.54Å; D966-R1502 PolarHBondContact OD1-NH2 2.9Å
967R39.1Very low38.5Very low69 Ų6979.5 Ų79.526%0.2644%0.437SS..Hα-helixtrans-54-48.3-179.6-69.4-173.1-174.2-145.61.6113.6S535 A969 R970S535-R967 PolarHBondContact O-NH1 2.81Å; S535-R967 PolarHBondContact O-NH2 2.97Å; R967-A969 PolarHBondContact O-N 3.39Å; R967-A969 VanDerWaalsContact O-N 3.15Å; R967-R970 PolarHBondContact O-N 2.92Å; R967-R970 VanDerWaalsContact O-N 3.16Å
968I36.8Very low37Very low136 Ų13685.1 Ų85.170%0.69747%0.466SS*.Hα-helixtrans-65.2-20.3-178.2-58.4175.3000112D966D966-I968 PolarHBondContact O-N 3.05Å
969A37.5Very low35.5Very low55 Ų5588.1 Ų88.146%0.45549%0.489SS..Hα-helixtrans-95.2-2417600000114D966 R967D966-A969 PolarHBondContact O-N 2.81Å; R967-A969 PolarHBondContact O-N 3.39Å; R967-A969 VanDerWaalsContact O-N 3.15Å
970R38.1Very low33.9Very low72 Ų7293.4 Ų93.427%0.27252%0.518SS..Hα-helixtrans-65.5-37.9-174.5-79.5168.7-168.9-173.6-2.6113.4D966 R967 K972 D1371D966-R970 VanDerWaalsContact O-CG 3.3Å; D966-R970 WeakPolarHBondContact O-CG 3.11Å; D966-R970 PolarHBondContact O-N 2.87Å; D966-R970 IonicContact OD2-CZ 3.31Å; D966-R970 IonicContact OD2-NE 3.01Å; D966-R970 PolarHBondContact OD2-NE 3.43Å; D966-R970 IonicContact OD2-NH2 2.66Å; D966-R970 PolarHBondContact OD2-NH2 2.71Å; R967-R970 PolarHBondContact O-N 2.92Å; R967-R970 VanDerWaalsContact O-N 3.16Å; R970-K972 PolarHBondContact O-N 3.41Å; R970-D1371 PolarHBondContact NH2-O 3.48Å; R970-D1371 VanDerWaalsContact NH2-O 3.12Å
971D36.3Very low33.1Very low101 Ų10196.5 Ų96.554%0.5454%0.539SS..THydrogen-bonded Turntrans-84.113.2-168.1-58.4-21000114Q544 S973Q544-D971 PolarHBondContact NE2-OD2 3.38Å; D971-S973 PolarHBondContact O-N 3.49Å
972K32.5Very low32.1Very low188 Ų188103.3 Ų103.382%0.81757%0.574SS**  trans-91.972.2167.3-73.3-165.5175.2-171.70111.1R970R970-K972 PolarHBondContact O-N 3.41Å
973S29.9Very low31.3Very low83 Ų83103.5 Ų103.558%0.5858%0.578SS**  trans-65.8134.9167.250.80000110.9D971 S975D971-S973 PolarHBondContact O-N 3.49Å; S973-S975 PolarHBondContact O-N 3.47Å; S973-S975 PolarHBondContact OG-OG 2.87Å
974P28Very low30.6Very low141 Ų141110.2 Ų110.292%0.91661%0.614SS**  trans-80.263.6175.134.1-35.4000110.8
975S25.9Very low29.9Very low80 Ų80111.5 Ų111.556%0.55963%0.629SS**  trans-101.7130.7179.545.10000111.1S973S973-S975 PolarHBondContact O-N 3.47Å; S973-S975 PolarHBondContact OG-OG 2.87Å
976S29.3Very low29.1Very low100 Ų100112 Ų11270%0.69965%0.65SS**SBendtrans77.1132-171.779.60000116.5I978S976-I978 PolarHBondContact O-N 3.48Å
977N26.2Very low28.4Very low180 Ų180121.5 Ų121.596%0.96368%0.684SS**  trans-81.295.4173.1-79.6-46.1000109.9
978I25Very low27.7Very low141 Ų141125.1 Ų125.172%0.72371%0.708SS**  trans-116.6125168-59.5-179.3000108.9S976S976-I978 PolarHBondContact O-N 3.48Å
979S22.5Very low27.2Very low110 Ų110124.1 Ų124.177%0.76971%0.71SS**  trans-76130.9-175.745.20000112.8
980N24.6Very low26.5Very low137 Ų137131.5 Ų131.573%0.73373%0.728SS**  trans49.184.2163-70.3-12.8000118.7L982N980-L982 PolarHBondContact O-N 3.27Å; N980-L982 VanDerWaalsContact O-N 3.11Å
981P26.9Very low25.9Very low115 Ų115131.6 Ų131.675%0.74774%0.739SS**  trans-82.559.7156.135.7-33.8000111S983P981-S983 PolarHBondContact O-N 3.28Å; P981-S983 VanDerWaalsContact O-N 3.17Å
982L23.8Very low25.4Very low159 Ų159130.4 Ų130.483%0.83274%0.736SS**  trans-86.739.5177.5-116.7171.3000112.4N980N980-L982 PolarHBondContact O-N 3.27Å; N980-L982 VanDerWaalsContact O-N 3.11Å
983S24Very low25.1Very low89 Ų89123 Ų12362%0.62271%0.712SS**SBendtrans-166.2161.6170.654.10000110.1P981 S985P981-S983 PolarHBondContact O-N 3.28Å; P981-S983 VanDerWaalsContact O-N 3.17Å; S983-S985 PolarHBondContact O-N 2.85Å
984N22.5Very low25.1Very low170 Ų170125.2 Ų125.291%0.90972%0.717SS**  trans52.953.3166.3-61.7-3.3000117.3
985S22.5Very low25.4Very low80 Ų80122.1 Ų122.156%0.55969%0.692SS**  trans-115.8122.9145.348.70000109.4S983 W987S983-S985 PolarHBondContact O-N 2.85Å; S985-W987 PolarHBondContact O-N 2.97Å; S985-W987 PolarHBondContact OG-NE1 2.9Å
986S21.8Very low26.1Very low126 Ų126121.6 Ų121.688%0.88168%0.68SS**  trans-79.393.817436.10000109.4L988S986-L988 PolarHBondContact O-N 2.92Å
987W23.1Very low27.2Very low220 Ų220118.5 Ų118.583%0.83366%0.658SS**  trans-62.5130.4175.5-72.969000110.6S985S985-W987 PolarHBondContact O-N 2.97Å; S985-W987 PolarHBondContact OG-NE1 2.9Å
988L25.5Very low28.5Very low144 Ų144110 Ų11075%0.75461%0.613SS**  trans3.7124.6165.5-73.1158.5000118.2S986S986-L988 PolarHBondContact O-N 2.92Å
989P24.4Very low30.6Very low115 Ų115103.8 Ų103.875%0.74758%0.583SS**  trans-136.664138.939.9-28.1000113.7
990Y24.6Very low33.6Very low210 Ų21099.3 Ų99.382%0.82455%0.55SS**SBendtrans-131.4115155.4-91.3-74000113.1
991S25.2Very low36.4Very low74 Ų7493 Ų9352%0.51752%0.517SS..  trans61.479.5156-155.70000117.8G993S991-G993 VanDerWaalsContact CA-N 3.34Å; S991-G993 PolarHBondContact O-N 2.87Å; S991-G993 VanDerWaalsContact OG-CA 3.27Å; S991-G993 WeakPolarHBondContact OG-CA 3.37Å; S991-G993 PolarHBondContact OG-N 3.08Å
992T25.1Very low39.3Very low77 Ų7787.5 Ų87.547%0.47248%0.481SS..  trans-72.635.5131.551.70000111M860M860-T992 VanDerWaalsContact SD-O 3.34Å
993G25.7Very low42.5Very low31 Ų3180.1 Ų80.132%0.3244%0.443SS..  trans-68.6154.7-178.700000111S991 L995S991-G993 VanDerWaalsContact CA-N 3.34Å; S991-G993 PolarHBondContact O-N 2.87Å; S991-G993 VanDerWaalsContact OG-CA 3.27Å; S991-G993 WeakPolarHBondContact OG-CA 3.37Å; S991-G993 PolarHBondContact OG-N 3.08Å; G993-L995 PolarHBondContact O-N 3.46Å
994I30.7Very low45.8Very low130 Ų13076.6 Ų76.667%0.66742%0.417SS*.  trans-77.276.2-176.6-56.2165.1000108.6M860 K996M860-I994 HydrophobicContact SD-CG1 4.28Å; I994-K996 VanDerWaalsContact C-N 3.28Å; I994-K996 PolarHBondContact O-N 2.96Å
995L34.1Very low48.9Very low76 Ų7669.8 Ų69.840%0.39838%0.38SS..  trans-68.593.5161.6-65.5169.4000106.3P960 Y965 G993 S997P960-L995 HydrophobicContact CG-CB 4.19Å; P960-L995 HydrophobicContact CG-CD1 3.68Å; P960-L995 HydrophobicContact CG-CD2 3.78Å; P960-L995 HydrophobicContact CG-CG 4.07Å; Y965-L995 WeakPolarHBondContact OH-CD1 3.07Å; G993-L995 PolarHBondContact O-N 3.46Å; L995-S997 PolarHBondContact O-N 3.34Å
996K40.4Very low52.1Low69 Ų6966 Ų6630%0.335%0.353SS..  trans-48.4118.2172.8-66-171.9177.3-166.20107Y951 F959 I994 G998Y951-K996 HydrophobicContact CE1-CD 4.19Å; Y951-K996 PolarHBondContact OH-NZ 2.95Å; F959-K996 HydrophobicContact CD1-CB 4.47Å; F959-K996 WeakPolarHBondContact CD1-O 3.22Å; F959-K996 HydrophobicContact CE1-CB 4.13Å; I994-K996 VanDerWaalsContact C-N 3.28Å; I994-K996 PolarHBondContact O-N 2.96Å; K996-G998 PolarHBondContact O-N 3.04Å; K996-G998 VanDerWaalsContact O-N 3.11Å
997S52.5Low55.5Low35 Ų3560.1 Ų60.125%0.24531%0.312CS..  trans-75.9107.1177-54.50000105.6D898 E899 N900 L995D898-S997 CarbonylContact C-O 3.6Å; D898-S997 WeakPolarHBondContact CA-O 3.35Å; D898-S997 WeakPolarHBondContact OD1-CB 3.43Å; D898-S997 PolarHBondContact OD2-N 3.22Å; E899-S997 VanDerWaalsContact CB-O 3.23Å; E899-S997 WeakPolarHBondContact CB-O 3.46Å; E899-S997 PolarHBondContact N-O 3.08Å; N900-S997 WeakPolarHBondContact ND2-CB 3.47Å; N900-S997 PolarHBondContact ND2-OG 3.47Å; L995-S997 PolarHBondContact O-N 3.34Å
998G54.2Low58.8Low1 Ų150.2 Ų50.21%0.0128%0.275CS..  trans-126.518.9-163.100000115.1S952 F959 K996S952-G998 VanDerWaalsContact CB-O 3.23Å; S952-G998 WeakPolarHBondContact CB-O 3.25Å; S952-G998 PolarHBondContact OG-O 2.82Å; F959-G998 WeakPolarHBondContact CD2-O 3.36Å; F959-G998 WeakPolarHBondContact CE2-O 3.4Å; K996-G998 PolarHBondContact O-N 3.04Å; K996-G998 VanDerWaalsContact O-N 3.11Å
999G69Low62Low11 Ų1143.4 Ų43.411%0.11324%0.239CC..  trans-62.4174.2178.400000113.6E899 R902 S1002 D1359E899-G999 VanDerWaalsContact CD-C 3.44Å; E899-G999 VanDerWaalsContact CD-O 3.24Å; E899-G999 VanDerWaalsContact OE2-C 3.3Å; E899-G999 WeakPolarHBondContact OE2-CA 3.44Å; E899-G999 PolarHBondContact OE2-N 2.73Å; E899-G999 VanDerWaalsContact OE2-N 3.11Å; R902-G999 PolarHBondContact NH2-O 2.75Å; G999-S1002 PolarHBondContact O-OG 1.84Å; G999-D1359 VanDerWaalsContact CA-OD2 3.28Å; G999-D1359 WeakPolarHBondContact CA-OD2 3.14Å
1000F85.3Confident65.2Low17 Ų1738 Ų388%0.07520%0.204CC..SBendtrans-107.52-172.9-58-73.6000113.5L949 F953 S1002 A1003 F1352 D1355 D1359L949-F1000 HydrophobicContact CD2-CD1 4.23Å; F953-F1000 HydrophobicContact CB-CE1 3.94Å; F953-F1000 HydrophobicContact CB-CZ 4.18Å; F953-F1000 HydrophobicContact CD2-CE1 4.03Å; F953-F1000 AromaticContact CD2-CZ 3.87Å; F953-F1000 HydrophobicContact CD2-CZ 3.87Å; F1000-S1002 PolarHBondContact O-N 2.84Å; F1000-A1003 WeakPolarHBondContact O-CB 3.35Å; F1000-A1003 PolarHBondContact O-N 2.72Å; F1000-F1352 HydrophobicContact CD1-CD2 4.01Å; F1000-F1352 AromaticContact CD1-CE2 3.91Å; F1000-F1352 HydrophobicContact CD1-CE2 3.91Å; F1000-F1352 HydrophobicContact CE1-CD2 4.42Å; F1000-D1355 HydrophobicContact CD2-CB 3.85Å; F1000-D1355 HydrophobicContact CE2-CB 4.14Å; F1000-D1359 HydrophobicContact CB-CB 4.5Å; F1000-D1359 WeakPolarHBondContact CD2-OD2 3.27Å; F1000-D1359 PolarHBondContact N-OD2 3.05Å
1001A83.8Confident68.4Low3 Ų328.2 Ų28.23%0.02517%0.166CC..THydrogen-bonded Turntrans-61.3-34.2177.900000112.2E899 A1003 F1004 D1359 T1360 Q1363E899-A1001 PolarHBondContact OE1-N 2.99Å; E899-A1001 VanDerWaalsContact OE1-N 3.12Å; A1001-A1003 PolarHBondContact O-N 3.24Å; A1001-F1004 PolarHBondContact O-N 3.47Å; A1001-D1359 HydrophobicContact CB-CB 4.31Å; A1001-T1360 WeakPolarHBondContact CA-OG1 3.41Å; A1001-Q1363 HydrophobicContact CB-CB 4.08Å
1002S87.4Confident71.6Confident0 Ų024.8 Ų24.80%014%0.142CC..Hα-helixtrans-50.4-24.8167.943.20000114.6E899 R902 N903 G999 F1000 L1006E899-S1002 VanDerWaalsContact OE1-CB 3.24Å; E899-S1002 WeakPolarHBondContact OE1-CB 3.17Å; E899-S1002 PolarHBondContact OE1-N 2.65Å; E899-S1002 PolarHBondContact OE1-OG 3.42Å; R902-S1002 PolarHBondContact NE-OG 3.23Å; N903-S1002 WeakPolarHBondContact OD1-CA 3.36Å; N903-S1002 WeakPolarHBondContact OD1-CB 3.3Å; G999-S1002 PolarHBondContact O-OG 1.84Å; F1000-S1002 PolarHBondContact O-N 2.84Å; S1002-L1006 WeakPolarHBondContact O-CB 3.44Å; S1002-L1006 PolarHBondContact O-N 3.33Å; S1002-L1006 VanDerWaalsContact O-N 3.12Å
1003A91.7Very high74.8Confident4 Ų421.2 Ų21.23%0.03312%0.12CC..Hα-helixtrans-67.4-37.9175.700000112.8L949 F1000 A1001 L1006 M1007 F1352L949-A1003 HydrophobicContact CD1-CB 3.89Å; L949-A1003 HydrophobicContact CD2-CB 4.26Å; F1000-A1003 WeakPolarHBondContact O-CB 3.35Å; F1000-A1003 PolarHBondContact O-N 2.72Å; A1001-A1003 PolarHBondContact O-N 3.24Å; A1003-L1006 WeakPolarHBondContact O-CB 3.44Å; A1003-L1006 PolarHBondContact O-N 2.6Å; A1003-M1007 VanDerWaalsContact O-CG 3.26Å; A1003-M1007 WeakPolarHBondContact O-CG 3.27Å; A1003-M1007 PolarHBondContact O-N 3.41Å; A1003-F1352 HydrophobicContact CB-CE2 4.24Å; A1003-F1352 HydrophobicContact CB-CZ 3.79Å
1004F91.8Very high77.9Confident16 Ų1621.2 Ų21.27%0.0711%0.111CC..Hα-helixtrans-66.8-43.3-179.6-88.6-118000111.3A1001 L1006 M1007 E1008 T1360 I1403 M1407 F1410A1001-F1004 PolarHBondContact O-N 3.47Å; F1004-L1006 VanDerWaalsContact C-N 3.31Å; F1004-L1006 PolarHBondContact O-N 2.78Å; F1004-M1007 PolarHBondContact O-N 3.34Å; F1004-E1008 PolarHBondContact O-N 3.38Å; F1004-T1360 HydrophobicContact CB-CG2 4.07Å; F1004-T1360 HydrophobicContact CD1-CG2 3.94Å; F1004-T1360 HydrophobicContact CD2-CG2 4.31Å; F1004-T1360 WeakPolarHBondContact CD2-OG1 3.29Å; F1004-T1360 HydrophobicContact CE1-CG2 4.48Å; F1004-T1360 HydrophobicContact CG-CG2 3.85Å; F1004-T1360 WeakPolarHBondContact CG-OG1 3.37Å; F1004-I1403 HydrophobicContact CD1-CG2 4.18Å; F1004-I1403 HydrophobicContact CE1-CG2 3.48Å; F1004-I1403 VanDerWaalsContact CE1-CG2 3.48Å; F1004-I1403 HydrophobicContact CZ-CG2 3.91Å; F1004-M1407 HydrophobicContact CE1-CB 4.07Å; F1004-M1407 HydrophobicContact CZ-CB 3.79Å; F1004-M1407 HydrophobicContact CZ-CG 4.05Å; F1004-M1407 HydrophobicContact CZ-SD 4.19Å; F1004-F1410 HydrophobicContact CB-CE2 4.17Å; F1004-F1410 HydrophobicContact CD1-CD2 4.07Å; F1004-F1410 AromaticContact CD1-CE2 3.62Å; F1004-F1410 HydrophobicContact CD1-CE2 3.62Å; F1004-F1410 HydrophobicContact CE1-CD2 4.27Å; F1004-F1410 HydrophobicContact CE1-CE2 4.2Å; F1004-F1410 HydrophobicContact CG-CD2 4.36Å; F1004-F1410 AromaticContact CG-CE2 3.97Å; F1004-F1410 HydrophobicContact CG-CE2 3.97Å
1005M87.4Confident80.7Confident26 Ų2616.5 Ų16.513%0.1289%0.085CC..Hα-helixtrans-67.5-31175.1-64.9-168.6-77.800112.8V795 N903 I906 V1009V795-M1005 HydrophobicContact CG1-SD 4.28Å; N903-M1005 HydrophobicContact CB-CE 4.08Å; N903-M1005 VanDerWaalsContact CG-CE 3.47Å; N903-M1005 WeakPolarHBondContact OD1-CE 3.33Å; I906-M1005 HydrophobicContact CD1-CB 4.19Å; I906-M1005 HydrophobicContact CG2-CB 3.76Å; M1005-V1009 PolarHBondContact O-N 2.74Å
1006L91.6Very high82.9Confident2 Ų219 Ų191%0.019%0.089CC..Hα-helixtrans-66.1-46.2172.2173.7141.9000111.8I906 L942 M945 I946 L949 S1002 A1003 F1004 V1009 A1010I906-L1006 HydrophobicContact CD1-CB 4.22Å; L942-L1006 HydrophobicContact CD2-CD1 4.24Å; L942-L1006 HydrophobicContact CD2-CG 4.07Å; M945-L1006 HydrophobicContact CB-CD1 3.34Å; M945-L1006 HydrophobicContact CG-CD1 4.33Å; M945-L1006 HydrophobicContact SD-CD1 4.07Å; I946-L1006 HydrophobicContact CD1-CD2 4.46Å; I946-L1006 HydrophobicContact CG1-CD1 4.07Å; I946-L1006 HydrophobicContact CG1-CD2 4.15Å; L949-L1006 HydrophobicContact CD1-CD1 4.35Å; S1002-L1006 WeakPolarHBondContact O-CB 3.44Å; S1002-L1006 PolarHBondContact O-N 3.33Å; S1002-L1006 VanDerWaalsContact O-N 3.12Å; A1003-L1006 WeakPolarHBondContact O-CB 3.44Å; A1003-L1006 PolarHBondContact O-N 2.6Å; F1004-L1006 VanDerWaalsContact C-N 3.31Å; F1004-L1006 PolarHBondContact O-N 2.78Å; L1006-V1009 PolarHBondContact O-N 3.17Å; L1006-A1010 PolarHBondContact O-N 2.88Å; L1006-A1010 VanDerWaalsContact O-N 3.13Å
1007M92.5Very high84.3Confident2 Ų218.5 Ų18.51%0.019%0.089CC..Hα-helixtrans-69.3-33.8-179.3-66.5-62.7179.900111.7A1003 F1004 V1009 A1010 H1011 F1337 L1347 W1353 F1410 M1413A1003-M1007 VanDerWaalsContact O-CG 3.26Å; A1003-M1007 WeakPolarHBondContact O-CG 3.27Å; A1003-M1007 PolarHBondContact O-N 3.41Å; F1004-M1007 PolarHBondContact O-N 3.34Å; M1007-V1009 PolarHBondContact O-N 2.83Å; M1007-A1010 PolarHBondContact O-N 3.46Å; M1007-H1011 VanDerWaalsContact O-CB 3.25Å; M1007-H1011 WeakPolarHBondContact O-CB 3.23Å; M1007-H1011 PolarHBondContact O-N 2.72Å; M1007-F1337 HydrophobicContact CE-CZ 4.41Å; M1007-F1337 HydrophobicContact SD-CZ 4.19Å; M1007-L1347 HydrophobicContact CE-CD1 4.22Å; M1007-L1347 HydrophobicContact CE-CD2 3.64Å; M1007-W1353 HydrophobicContact CE-CH2 4.21Å; M1007-F1410 HydrophobicContact CB-CB 4.06Å; M1007-F1410 HydrophobicContact CB-CD1 3.51Å; M1007-F1410 HydrophobicContact CB-CD2 3.68Å; M1007-F1410 HydrophobicContact CB-CE1 3.73Å; M1007-F1410 HydrophobicContact CB-CE2 3.91Å; M1007-F1410 HydrophobicContact CB-CG 3.48Å; M1007-F1410 VanDerWaalsContact CB-CG 3.48Å; M1007-F1410 HydrophobicContact CB-CZ 3.93Å; M1007-F1410 HydrophobicContact CG-CB 4.26Å; M1007-F1410 HydrophobicContact CG-CD2 4.36Å; M1007-F1410 HydrophobicContact CG-CG 4.18Å; M1007-M1413 HydrophobicContact CB-CE 3.97Å; M1007-M1413 HydrophobicContact CG-CE 4.26Å; M1007-M1413 HydrophobicContact SD-CE 3.49Å; M1007-M1413 WeakPolarHBondContact SD-CE 3.2Å
1008E92.6Very high84.6Confident12 Ų1221 Ų216%0.05611%0.105CC..Hα-helixtrans-56.6-46.4170.5179.5-172.3138.600112N910 I924 F1004 H1011 T1012 F1410 L1459 R1465N910-E1008 PolarHBondContact ND2-OE1 3.36Å; I924-E1008 HydrophobicContact CD1-CG 4.13Å; F1004-E1008 PolarHBondContact O-N 3.38Å; E1008-H1011 PolarHBondContact O-N 3.01Å; E1008-T1012 HydrophobicContact CG-CG2 4.28Å; E1008-T1012 WeakPolarHBondContact O-CB 3.12Å; E1008-T1012 WeakPolarHBondContact O-CG2 3.43Å; E1008-T1012 PolarHBondContact O-N 3.38Å; E1008-T1012 PolarHBondContact O-OG1 3.16Å; E1008-F1410 HydrophobicContact CB-CZ 4.25Å; E1008-L1459 HydrophobicContact CB-CD1 4.39Å; E1008-L1459 HydrophobicContact CG-CD1 4.16Å; E1008-R1465 IonicContact OE1-CZ 3.54Å; E1008-R1465 IonicContact OE1-NH1 3.63Å; E1008-R1465 PolarHBondContact OE1-NH1 3.39Å; E1008-R1465 VanDerWaalsContact OE1-NH1 3.16Å; E1008-R1465 IonicContact OE1-NH2 3.13Å; E1008-R1465 PolarHBondContact OE1-NH2 3.03Å; E1008-R1465 IonicContact OE2-CZ 2.66Å; E1008-R1465 IonicContact OE2-NH2 2.76Å; E1008-R1465 PolarHBondContact OE2-NH2 2.85Å
1009V91.5Very high84.2Confident1 Ų125.6 Ų25.61%0.00613%0.129CC..Hα-helixtrans-63.6-43.8177.8178.10000110.5I906 N910 I938 L942 M1005 L1006 M1007 H1011 H1013 L1332I906-V1009 HydrophobicContact CG2-CG2 4.2Å; N910-V1009 HydrophobicContact CB-CG2 3.63Å; I938-V1009 HydrophobicContact CG2-CG1 4.16Å; L942-V1009 HydrophobicContact CD1-CG1 4.06Å; L942-V1009 HydrophobicContact CD2-CB 4.5Å; L942-V1009 HydrophobicContact CD2-CG1 4.4Å; M1005-V1009 PolarHBondContact O-N 2.74Å; L1006-V1009 PolarHBondContact O-N 3.17Å; M1007-V1009 PolarHBondContact O-N 2.83Å; V1009-H1011 VanDerWaalsContact C-N 3.32Å; V1009-H1011 PolarHBondContact O-N 3.42Å; V1009-H1013 WeakPolarHBondContact O-CB 3.38Å; V1009-H1013 PolarHBondContact O-N 3.26Å; V1009-H1013 VanDerWaalsContact O-N 3.08Å; V1009-H1013 PolarHBondContact O-ND1 3Å; V1009-L1332 HydrophobicContact CG1-CD1 4.07Å
1010A91.8Very high82.8Confident1 Ų136.3 Ų36.31%0.00817%0.166CC..Hα-helixtrans-61-39177.800000113.2L1006 M1007 F1333 I1336 M1413L1006-A1010 PolarHBondContact O-N 2.88Å; L1006-A1010 VanDerWaalsContact O-N 3.13Å; M1007-A1010 PolarHBondContact O-N 3.46Å; A1010-F1333 HydrophobicContact CB-CB 4.21Å; A1010-F1333 PolarHBondContact O-N 3.29Å; A1010-F1333 VanDerWaalsContact O-N 3.09Å; A1010-I1336 HydrophobicContact CB-CD1 3.76Å; A1010-M1413 HydrophobicContact CB-CE 4.13Å; A1010-M1413 HydrophobicContact CB-SD 4.3Å
1011H92.4Very high80.2Confident5 Ų540.5 Ų40.52%0.02319%0.193CC..Hα-helixtrans-78-36-177.7-166.4-75.8000113.4M1007 E1008 V1009 Y1331 F1410 M1413 I1457 L1459M1007-H1011 VanDerWaalsContact O-CB 3.25Å; M1007-H1011 WeakPolarHBondContact O-CB 3.23Å; M1007-H1011 PolarHBondContact O-N 2.72Å; E1008-H1011 PolarHBondContact O-N 3.01Å; V1009-H1011 VanDerWaalsContact C-N 3.32Å; V1009-H1011 PolarHBondContact O-N 3.42Å; H1011-Y1331 VanDerWaalsContact O-CD1 3.26Å; H1011-Y1331 WeakPolarHBondContact O-CD1 3.47Å; H1011-Y1331 WeakPolarHBondContact O-CE1 3.23Å; H1011-F1410 HydrophobicContact CB-CE1 4.34Å; H1011-M1413 VanDerWaalsContact CA-SD 3.55Å; H1011-M1413 HydrophobicContact CB-SD 3.51Å; H1011-M1413 VanDerWaalsContact CB-SD 3.51Å; H1011-I1457 PolarHBondContact CE1-O 3.46Å; H1011-I1457 PolarHBondContact NE2-O 3.02Å; H1011-L1459 HydrophobicContact CB-CD1 4.04Å
1012T92.1Very high77.7Confident1 Ų143.7 Ų43.71%0.00623%0.227CC..Hα-helixtrans-98.2-26.8-170.657.40000114.3I924 N926 V927 E1008 L1459I924-T1012 HydrophobicContact CG2-CG2 4Å; N926-T1012 CarbonylContact C-O 3.05Å; N926-T1012 VanDerWaalsContact CA-O 3.3Å; N926-T1012 WeakPolarHBondContact CA-O 3.43Å; N926-T1012 WeakPolarHBondContact OD1-CA 3.37Å; N926-T1012 PolarHBondContact OD1-O 3.39Å; V927-T1012 PolarHBondContact N-O 2.73Å; E1008-T1012 HydrophobicContact CG-CG2 4.28Å; E1008-T1012 WeakPolarHBondContact O-CB 3.12Å; E1008-T1012 WeakPolarHBondContact O-CG2 3.43Å; E1008-T1012 PolarHBondContact O-N 3.38Å; E1008-T1012 PolarHBondContact O-OG1 3.16Å; T1012-L1459 HydrophobicContact CG2-CD1 3.87Å
1013H92Very high75Confident2 Ų252.4 Ų52.41%0.00927%0.267CS..EExtended strand (participates in β ladder)trans-95.4130.6-173.8-6549.7000111.5N910 V927 I929 V1009 L1332N910-H1013 PolarHBondContact OD1-CE1 3.49Å; V927-H1013 HydrophobicContact CB-CB 4.46Å; V927-H1013 WeakPolarHBondContact O-CA 3.38Å; I929-H1013 HydrophobicContact CD1-CB 3.92Å; I929-H1013 HydrophobicContact CG1-CB 4.35Å; V1009-H1013 WeakPolarHBondContact O-CB 3.38Å; V1009-H1013 PolarHBondContact O-N 3.26Å; V1009-H1013 VanDerWaalsContact O-N 3.08Å; V1009-H1013 PolarHBondContact O-ND1 3Å; H1013-L1332 HydrophobicContact CB-CD1 3.75Å; H1013-L1332 HydrophobicContact CB-CG 4.44Å; H1013-L1332 PolarHBondContact O-N 3.37Å
1014F91.1Very high72Confident31 Ų3157.9 Ų57.914%0.13630%0.3CS..EExtended strand (participates in β ladder)trans-137.2155.9-173.767.3-81.6000112.7N926 V927 P928 I929 W1329 T1330 Y1331N926-F1014 HydrophobicContact CB-CD1 4.12Å; N926-F1014 HydrophobicContact CB-CE1 3.8Å; V927-F1014 VanDerWaalsContact C-CE1 3.46Å; V927-F1014 VanDerWaalsContact O-CD1 3.3Å; V927-F1014 WeakPolarHBondContact O-CD1 3.43Å; V927-F1014 PolarHBondContact O-N 2.95Å; P928-F1014 HydrophobicContact CB-CE1 4.11Å; P928-F1014 HydrophobicContact CB-CE2 4.04Å; P928-F1014 HydrophobicContact CB-CZ 3.66Å; P928-F1014 HydrophobicContact CG-CZ 4.36Å; I929-F1014 PolarHBondContact N-O 3.17Å; F1014-W1329 HydrophobicContact CD2-CB 4.5Å; F1014-W1329 HydrophobicContact CD2-CD2 4.45Å; F1014-W1329 AromaticContact CD2-CE3 3.74Å; F1014-W1329 HydrophobicContact CD2-CE3 3.74Å; F1014-W1329 HydrophobicContact CD2-CZ3 4.35Å; F1014-W1329 HydrophobicContact CE2-CD2 4.33Å; F1014-W1329 AromaticContact CE2-CE3 3.57Å; F1014-W1329 HydrophobicContact CE2-CE3 3.57Å; F1014-W1329 AromaticContact CE2-CZ3 3.78Å; F1014-W1329 HydrophobicContact CE2-CZ3 3.78Å; F1014-T1330 CarbonylContact C-O 3.44Å; F1014-T1330 WeakPolarHBondContact CA-O 3.5Å; F1014-Y1331 HydrophobicContact CB-CD1 3.72Å; F1014-Y1331 HydrophobicContact CB-CD2 4.26Å; F1014-Y1331 HydrophobicContact CB-CE1 3.83Å; F1014-Y1331 HydrophobicContact CB-CE2 4.35Å; F1014-Y1331 HydrophobicContact CB-CG 3.94Å; F1014-Y1331 HydrophobicContact CD1-CE1 4.08Å; F1014-Y1331 HydrophobicContact CG-CE1 4.23Å
1015Y89.3Confident69Low31 Ų3163.6 Ų63.612%0.12233%0.331CS..EExtended strand (participates in β ladder)trans-122.7153175.1-174.1-108.2000111.3I929 W932 Y935 T1330I929-Y1015 HydrophobicContact CB-CD2 4.38Å; I929-Y1015 HydrophobicContact CG2-CD2 4.23Å; I929-Y1015 VanDerWaalsContact O-CD2 3.27Å; I929-Y1015 WeakPolarHBondContact O-CD2 3.01Å; W932-Y1015 HydrophobicContact CB-CE1 4.06Å; W932-Y1015 HydrophobicContact CD2-CE1 4.19Å; W932-Y1015 AromaticContact CE3-CD1 3.5Å; W932-Y1015 HydrophobicContact CE3-CD1 3.5Å; W932-Y1015 AromaticContact CE3-CE1 3.5Å; W932-Y1015 HydrophobicContact CE3-CE1 3.5Å; W932-Y1015 VanDerWaalsContact CE3-CE1 3.5Å; W932-Y1015 HydrophobicContact CE3-CG 4.34Å; W932-Y1015 HydrophobicContact CG-CE1 4.46Å; W932-Y1015 AromaticContact CZ3-CD1 3.93Å; W932-Y1015 HydrophobicContact CZ3-CD1 3.93Å; W932-Y1015 HydrophobicContact CZ3-CE1 4.28Å; Y935-Y1015 HydrophobicContact CD2-CG 4.24Å; Y935-Y1015 HydrophobicContact CG-CG 4.21Å; Y1015-T1330 PolarHBondContact N-O 2.87Å; Y1015-T1330 PolarHBondContact O-N 3.33Å
1016R81.8Confident66.4Low130 Ų13070 Ų7049%0.49137%0.366SS..EExtended strand (participates in β ladder)trans-96.1108.6174.7-170.8179.5176.6176.8-0.4109.2V1327 W1329R1016-V1327 HydrophobicContact CG-CG1 4.18Å; R1016-W1329 HydrophobicContact CB-CE3 3.65Å; R1016-W1329 HydrophobicContact CB-CH2 4.48Å; R1016-W1329 HydrophobicContact CB-CZ3 3.59Å; R1016-W1329 HydrophobicContact CG-CD2 4.45Å; R1016-W1329 HydrophobicContact CG-CE3 3.87Å; R1016-W1329 HydrophobicContact CG-CH2 4.25Å; R1016-W1329 HydrophobicContact CG-CZ3 3.78Å
1017L68.7Low63.4Low57 Ų5777 Ų7730%0.29840%0.403SS..  trans-55.9137.7178.7-74.6173.3000111W932 N1019 P1328 T1330W932-L1017 HydrophobicContact CZ3-CD2 4.4Å; L1017-N1019 PolarHBondContact O-N 2.89Å; L1017-P1328 HydrophobicContact CB-CG 4.38Å; L1017-P1328 HydrophobicContact CD1-CB 4.13Å; L1017-P1328 HydrophobicContact CD1-CG 3.96Å; L1017-P1328 PolarHBondContact N-O 2.82Å; L1017-T1330 VanDerWaalsContact CD1-OG1 3.29Å; L1017-T1330 WeakPolarHBondContact CD1-OG1 3.48Å
1018P59.2Low60.6Low88 Ų8885.3 Ų85.357%0.57144%0.442SS*.  trans-65.8127.8179.8-19.433.2000110.4R1020P1018-R1020 PolarHBondContact O-N 2.98Å
1019N46.4Very low57.6Low97 Ų9791.5 Ų91.552%0.51948%0.476SS..  trans-60.2108.2178.6-98.24.5000110.7L1017 T1021L1017-N1019 PolarHBondContact O-N 2.89Å; N1019-T1021 PolarHBondContact O-N 2.91Å
1020R38.2Very low54.7Low237 Ų23799.3 Ų99.389%0.89451%0.512SS*.  trans-72.866.6165.5-76.6-174.4167.9-169.9-3.6110.6P1018P1018-R1020 PolarHBondContact O-N 2.98Å
1021T31.6Very low51.6Low104 Ų104108.5 Ų108.564%0.63855%0.552SS**  trans-132.976.4174.355.20000108.7N1019N1019-T1021 PolarHBondContact O-N 2.91Å
1022G29.9Very low48.5Very low71 Ų71116.4 Ų116.473%0.73259%0.586SS**  trans-165.530.1-171.700000113.7
1023H30.9Very low45.3Very low183 Ų183124.5 Ų124.585%0.84762%0.622SS**  trans-153.2104.4166.5-105.8-70.5000108.8
1024T29.2Very low42.2Very low118 Ų118135.5 Ų135.572%0.72466%0.663SS**  trans-101.8158144.753.40000107.3
1025D29.8Very low39.1Very low136 Ų136140.5 Ų140.573%0.72769%0.691SS**SBendtrans5978.7163.6-42.3-39.3000116.4
1026N32.8Very low36.2Very low160 Ų160144.3 Ų144.386%0.85672%0.723SS**  -167149.9102.8-94.7-57.5000111.6
1027N28.5Very low33.6Very low149 Ų149146 Ų14680%0.79774%0.738SS**  trans-77.8133.3-178.9-64.6-30.3000111.5
1028H32.9Very low31.8Very low178 Ų178149.2 Ų149.282%0.82476%0.762SS**  -166.8165.1111.5-103.3-62.7000111.5
1029D30.1Very low30.3Very low142 Ų142150.8 Ų150.876%0.75977%0.771SS**  trans-74.2134.3-167.8-50.3-103.7000113.8
1030E29.8Very low29.6Very low164 Ų164151.1 Ų151.177%0.76678%0.777SS**  trans-157.9141.6140.3-125.2173.4-151.900113.1F1032E1030-F1032 HydrophobicContact CB-CE2 4.19Å
1031K26.1Very low29.3Very low195 Ų195146 Ų14685%0.84877%0.774SS**  trans-88.9104.6179.8-74.6176.8177.9171.60110.9F1033K1031-F1033 PolarHBondContact O-N 2.78Å
1032F28.4Very low29.1Very low170 Ų170147.4 Ų147.475%0.74678%0.783SS**  trans-87.798.8170.5-84.3-85.7000112.8E1030E1030-F1032 HydrophobicContact CB-CE2 4.19Å
1033F25.1Very low28.9Very low172 Ų172149.8 Ų149.875%0.75478%0.783SS**  trans-66.9139.7158.2-95.4-100.3000110.1K1031K1031-F1033 PolarHBondContact O-N 2.78Å
1034W27.5Very low28.9Very low232 Ų232150.3 Ų150.388%0.87979%0.786SS**  trans-94118.3160.6-7497.4000109.2
1035N25.4Very low28.8Very low136 Ų136152 Ų15273%0.72779%0.789SS**  trans-153.6138.5166.9-99.6-32.7000110.6
1036S27.3Very low28.7Very low112 Ų112156.9 Ų156.978%0.78380%0.798SS**  trans60.7116.3159.9-53.20000119.6
1037M27.8Very low28.4Very low164 Ų164153.4 Ų153.481%0.80879%0.786SS**  trans-75139.2155.9-71.8178.958.900110.6
1038P32Very low28.6Very low125 Ų125151.8 Ų151.881%0.81278%0.784SS**  trans-92.1124.2168.432.7-30000111.8
1039T27.8Very low28.3Very low122 Ų122149.8 Ų149.875%0.74878%0.778SS**  trans-89.2115.7173.649.10000111.7
1040T31Very low28.5Very low104 Ų104148.4 Ų148.464%0.63878%0.776SS**  trans49.4135.7156.551.90000120.7I886I886-T1040 HydrophobicContact CD1-CG2 3.71Å
1041P32.7Very low28.5Very low130 Ų130146.5 Ų146.584%0.84478%0.781SS**  trans-118.7169144.3155.2000113.9
1042T26.8Very low28.5Very low133 Ų133147.9 Ų147.982%0.81678%0.781SS**  trans-85.7167.7-167.938.90000115.8
1043T26Very low28.5Very low121 Ų121146 Ų14674%0.74277%0.772SS**  trans-19.4140.216248.40000118.8
1044E30.3Very low28.5Very low193 Ų193145.9 Ų145.990%0.90277%0.772SS**  -151.9-178.2116-125.4179.9-136.300112.9
1045L26.9Very low28.5Very low153 Ų153141.5 Ų141.580%0.80177%0.77SS**  trans-106.8166.9-158.3-85.874.1000115.5
1046R27.9Very low28.5Very low240 Ų240138.3 Ų138.391%0.90677%0.77SS**  trans98.7105.6140.9-145.3173.3-162.3163.23.4118.5
1047S26.4Very low28.4Very low86 Ų86140.6 Ų140.660%0.60177%0.773SS**  trans-91.5159.8159.256.80000111
1048P32.4Very low28.4Very low116 Ų116136.1 Ų136.175%0.75377%0.769SS**  -136.2157.793.621.40.4000113.1
1049I27.1Very low28.3Very low136 Ų136140.3 Ų140.370%0.69778%0.775SS**  cis79.5127.435.5-57.3163.1000112.4
1050P34.3Very low28.1Very low112 Ų112139.4 Ų139.473%0.72777%0.774SS**  cis-143.9179.7-28.540-21.2000114.7
1051S29Very low27.7Very low124 Ų124139.1 Ų139.187%0.86778%0.776SS**  trans-154.4147.4147.7-770000112.1
1052R27.4Very low27.2Very low224 Ų224138.4 Ų138.485%0.84577%0.769SS**  trans-126.5159-179.5-88177.2162.7176.6-2.7106.8
1053K27.1Very low27Very low130 Ų130142.3 Ų142.357%0.56577%0.769SS**  cis-169.2162.213.7-133170.3170.1-1650109.6
1054F25.8Very low27Very low170 Ų170146.5 Ų146.575%0.74677%0.773SS**  trans65.5148.8148-70.4-30.8000118.8
1055V26.4Very low26.8Very low140 Ų140144.3 Ų144.385%0.84876%0.762SS**  cis-137147.7-12.11740000107.2
1056G26.3Very low26.7Very low69 Ų69143.3 Ų143.371%0.71176%0.758SS**  trans153.7134.1160.100000115.5
1057N25.2Very low26.7Very low161 Ų161138.4 Ų138.486%0.86175%0.749SS**  trans-59.4131.3-177.8-58.1-19000113.5
1058G28.7Very low26.6Very low70 Ų70144.5 Ų144.572%0.72276%0.759SS**  trans-104138.5154.600000109.5
1059F29.1Very low26.3Very low212 Ų212146.1 Ų146.193%0.9376%0.761SS**  cis80.215443.9-82.6-74.1000115.9
1060S22.5Very low26.2Very low104 Ų104145.6 Ų145.673%0.72776%0.759SS**  trans-130.3169.9-16056.20000112.1
1061S23.3Very low25.9Very low97 Ų97148.6 Ų148.668%0.67877%0.768SS**  trans69.1100.7138.6-174.40000121.4
1062V22.8Very low25.7Very low116 Ų116146.5 Ų146.570%0.70375%0.754SS**  73.1136.6122.5177.40000121.4
1063R22.4Very low25.7Very low214 Ų214142.5 Ų142.581%0.80875%0.749SS**  trans67.8124.5159.6-82.5167.8-171.4171.92.4120.1
1064Y26.4Very low25.5Very low210 Ų210141.7 Ų141.782%0.82476%0.758SS**  -145.8147100.5-96.1-85.7000105.8
1065Q24.8Very low25.7Very low147 Ų147142.4 Ų142.469%0.68776%0.764SS**  cis61.5136.348.7-89.3-169.9-13.200113.7
1066N25.1Very low25.8Very low131 Ų131140.4 Ų140.470%0.70176%0.756SS**  cis-161.5-178.4-14.3-148.48.1000109.3
1067N27.6Very low25.9Very low137 Ų137147.7 Ų147.773%0.73376%0.764SS**  trans81135.1171.9-51.5-21.4000116
1068R24.9Very low25.8Very low214 Ų214145 Ų14581%0.80876%0.758SS**  cis111.4153.78.4-169.3179.8-167.5-1738.8113.5
1069L27.2Very low25.8Very low150 Ų150152 Ų15279%0.78576%0.763SS**  trans83.6104.2-169.7-53.6174.4000111.1
1070D23.3Very low25.7Very low126 Ų126148 Ų14867%0.67475%0.751SS**  cis77.7117.743.6-52.9-52.7000113
1071L29.4Very low25.9Very low174 Ų174147 Ų14791%0.91176%0.757SS**  trans-165.6138.4135.4-107.8164.7000110.5
1072S24Very low25.9Very low80 Ų80147.8 Ų147.856%0.55976%0.762SS**  trans-96.3164.5174.153.30000111.1
1073D27.7Very low26.1Very low141 Ų141150.4 Ų150.475%0.75476%0.764SS**  180136.2110.6-79.4-14.2000108.2
1074C23.7Very low26.1Very low112 Ų112147 Ų14776%0.75776%0.761SS**  cis88.386.837-68.50000114
1075E28.7Very low26.1Very low185 Ų185142.3 Ų142.386%0.86475%0.75SS**  trans-152.596.5160.8-146.8170.4-131.200115.4
1076S28.3Very low26.1Very low98 Ų98141.6 Ų141.669%0.68575%0.75SS**  trans67159.3153.782.90000119.3
1077Y27.8Very low26.2Very low223 Ų223142.6 Ų142.688%0.87575%0.749SS**  cis-128.9158.95.1-113.3-79.7000112.8
1078S24.7Very low26.1Very low105 Ų105144.6 Ų144.673%0.73475%0.753SS**  trans-92177.3176.8-53.50000113.6
1079R28.6Very low26Very low217 Ų217137.2 Ų137.282%0.81974%0.744SS**  trans98.3135.3149.5-66.2-174.698.5139.18.3120.7
1080D26.6Very low25.9Very low128 Ų128142.5 Ų142.568%0.68475%0.754SS**  48.199129.7-47.2-16.6000118.1
1081G26.3Very low26Very low82 Ų82139.9 Ų139.985%0.84576%0.756SS**  trans-151.135.2175.700000113.8
1082S23.8Very low25.9Very low113 Ų113142.9 Ų142.979%0.7976%0.756SS**  trans-78.7132.9179.754.70000112.7
1083K26.8Very low25.8Very low171 Ų171147.7 Ų147.774%0.74377%0.769SS**  trans168.9143.5133.3-90.6-166.9175.5-168.70108.4
1084L23Very low26.1Very low142 Ų142145.4 Ų145.474%0.74376%0.762SS**  55.9129.265.3-77.978.2000110.3
1085D26Very low26.1Very low112 Ų112149.2 Ų149.260%0.59977%0.766SS**  cis-142143.733.1-86.3-53.4000110.6
1086L23.5Very low26Very low132 Ų132146 Ų14669%0.69176%0.759SS**  83.7158.975.2-134.6-177.6000112.2
1087F27.7Very low25.8Very low153 Ų153146 Ų14667%0.67176%0.759SS**  trans77.7102.1176.6-63.4-85.9000120.5
1088H27Very low25.6Very low178 Ų178142 Ų14282%0.82476%0.757SS**  trans70.8157.2138.5-61.97.6000118.2
1089G22.5Very low25.5Very low60 Ų60142.7 Ų142.762%0.61976%0.757SS**  cis126.4111.4-7.600000113.6
1090R24.7Very low25.3Very low261 Ų261138.2 Ų138.299%0.98575%0.754SS**  trans73.3143.4-172.5-48.7174.1178.4-170-0.7113.4
1091G25.9Very low25.1Very low71 Ų71137.7 Ų137.773%0.73276%0.755SS**  cis171.5175.4-9.200000113.7
1092R26.2Very low24.9Very low237 Ų237141.2 Ų141.289%0.89475%0.751SS**  trans36.4120159-65.8-178.2173.5-175.9-3.6120.2
1093H22.2Very low24.9Very low181 Ų181140.5 Ų140.584%0.83875%0.746SS**  24.1155.5117-58-69000120.8
1094P33.3Very low24.7Very low93 Ų93138.6 Ų138.660%0.60474%0.74SS**  cis-143.7-177.82134.8-11.5000117.6
1095F24.8Very low25Very low192 Ų192135.6 Ų135.684%0.84273%0.729SS**  trans63.7155.7164-59.7-60.5000117.6
1096T26.5Very low24.9Very low118 Ų118132.2 Ų132.272%0.72471%0.714SS**  cis-141.1154.915.3-31.40000111.9
1097S23.5Very low24.9Very low98 Ų98131 Ų13169%0.68572%0.717SS**  trans23.1141.2149.865.60000121.1
1098V24.6Very low24.9Very low137 Ų137131.1 Ų131.183%0.8372%0.724SS**  cis-144150.838.5172.80000111.3
1099V21.8Very low24.9Very low120 Ų120134.4 Ų134.473%0.72773%0.73SS**  trans-87.6152176167.90000110.9
1100V24.8Very low25.1Very low124 Ų124140 Ų14075%0.75274%0.74SS**  trans-172131.7131.7142.80000111.4M1102V1100-M1102 HydrophobicContact CG1-CG 4.34Å
1101T21.4Very low25.3Very low117 Ų117134.4 Ų134.472%0.71873%0.729SS**  trans-103.2127167470000109.6
1102M24Very low25.4Very low155 Ų155137.2 Ų137.276%0.76473%0.727SS**  trans-144.8136.5157.7-68.2-59.1162.200107.1V1100V1100-M1102 HydrophobicContact CG1-CG 4.34Å
1103S22Very low25.5Very low98 Ų98132 Ų13269%0.68571%0.713SS**  cis76.9127.442.4-55.50000113
1104E23.4Very low25.7Very low131 Ų131131 Ų13161%0.61271%0.707SS**  trans-60.9138.3166-68.1-164.3138.600109.8N1206 K1208E1104-N1206 PolarHBondContact OE2-ND2 3.23Å; E1104-K1208 IonicContact OE1-NZ 3.49Å; E1104-K1208 PolarHBondContact OE1-NZ 3.45Å; E1104-K1208 IonicContact OE2-NZ 3.65Å; E1104-K1208 PolarHBondContact OE2-NZ 3.23Å
1105P30Very low25.6Very low79 Ų79133.7 Ų133.751%0.51371%0.714SS.*  -145.1175.4114.240.4-27.5000116P1205 N1206P1105-P1205 HydrophobicContact CB-CB 3.82Å; P1105-P1205 HydrophobicContact CB-CG 4.31Å; P1105-P1205 HydrophobicContact CG-CB 4.09Å; P1105-P1205 HydrophobicContact CG-CG 4.49Å; P1105-N1206 HydrophobicContact CB-CB 3.61Å
1106S22.3Very low25.7Very low41 Ų41133.3 Ų133.329%0.28772%0.715SS.*  trans-91.3171.8-175.961.50000116.5N1206S1106-N1206 PolarHBondContact N-OD1 2.84Å; S1106-N1206 PolarHBondContact OG-OD1 2.87Å
1107S24.3Very low25.8Very low106 Ų106133.1 Ų133.174%0.74172%0.718SS**  trans102144.2144.4730000119.3
1108D26.9Very low26Very low156 Ų156137.1 Ų137.183%0.83472%0.724SS**  trans-95.5162.5-160.1-44.1-96.5000113.4
1109R28.2Very low26.4Very low248 Ų248136.5 Ų136.594%0.93672%0.722SS**  trans-157.3137.5153.9-116175.2-176.3176.30.8110.6
1110E26.6Very low26.6Very low178 Ų178135.9 Ų135.983%0.83272%0.718SS**  trans-93.1163177.3-67.7176123.400111.5
1111D29.2Very low26.8Very low143 Ų143139.5 Ų139.577%0.76572%0.724SS**  trans64.4145.7159.6-69-4.1000119.3
1112N28.1Very low27Very low129 Ų129142.6 Ų142.669%0.6973%0.728SS**  cis-157.3169.223.8-139.7-35.3000115.3
1113E27.6Very low27.1Very low127 Ų127139.4 Ų139.459%0.59372%0.721SS**  trans65.3106.1153.1-57.7-136.5147.800125
1114K26.1Very low27.5Very low162 Ų162141.3 Ų141.370%0.70472%0.723SS**  81.1165.1119.1-67.8178.7-168.8151.70123.1
1115I30.7Very low27.8Very low148 Ų148140 Ų14076%0.75973%0.728SS**  trans78.593.4174.6-50.1-177.7000113.3
1116Q27Very low27.8Very low184 Ų184141.7 Ų141.786%0.8674%0.738SS**  68.7141.377.2-64.3-17915.700113.6
1117S29.4Very low28Very low114 Ų114146.8 Ų146.880%0.79776%0.762SS**  cis-153171.516.8560000114.7
1118K27.3Very low28.3Very low183 Ų183147.9 Ų147.980%0.79676%0.764SS**  trans-87.1164.1165.1-54.2170.8179.5172.50110.2V1120K1118-V1120 HydrophobicContact CB-CG2 4.31Å; K1118-V1120 HydrophobicContact CD-CG2 4.49Å
1119P33.9Very low28.5Very low123 Ų123147.3 Ų147.380%0.79976%0.759SS**  -145.6171.186.329.9-8.6000114
1120V25.3Very low28.6Very low107 Ų107144.1 Ų144.165%0.64875%0.752SS**  cis103.2116.18.2177.90000117.6K1118K1118-V1120 HydrophobicContact CB-CG2 4.31Å; K1118-V1120 HydrophobicContact CD-CG2 4.49Å
1121F29.5Very low28.7Very low201 Ų201143.3 Ų143.388%0.88275%0.748SS**  trans-155.1154.5156.6-94.1-86.4000106.9
1122K25.3Very low28.7Very low181 Ų181143.4 Ų143.479%0.78775%0.749SS**  cis82138.213-70.6-159.1171.1-169.40118.3
1123S26.7Very low28.6Very low88 Ų88144.7 Ų144.762%0.61576%0.755SS**  cis-163.5-165.1-18.249.80000110.9
1124D30.7Very low28.4Very low138 Ų138147 Ų14774%0.73877%0.765SS**  trans87.9114.4162.2-536000115
1125S28.5Very low29.1Very low103 Ų103144.4 Ų144.472%0.7277%0.765SS**  82.9139.370.878.90000114.1
1126T30Very low28.9Very low115 Ų115144.3 Ų144.371%0.70677%0.766SS**  cis-162.5159.710.3-10.20000113.4
1127D27Very low28.9Very low148 Ų148141.4 Ų141.479%0.79176%0.756SS**  trans81.5155.7140.3-77.8-38.6000127.6
1128V30.4Very low28.8Very low130 Ų130142.5 Ų142.579%0.78875%0.753SS**  trans85.4130.9160.3-132.60000123
1129I31.1Very low29Very low143 Ų143138.6 Ų138.673%0.73376%0.755SS**  trans97.583.3158.1-47.5-171.6000119.8
1130K29.7Very low28.8Very low181 Ų181139.7 Ų139.779%0.78775%0.754SS**  59.9127.9124.9-67.8-177.6-179.9177.40123.6
1131Q30.4Very low29.1Very low161 Ų161141.6 Ų141.675%0.75276%0.76SS**  117.1118.1121.5-94.1-179.8-27.400121.8
1132N27.9Very low29.2Very low146 Ų146137.2 Ų137.278%0.78175%0.75SS**  trans91.7138.7141.4-64.5-8.4000122.3
1133L25.6Very low29.4Very low156 Ų156136.1 Ų136.182%0.81775%0.751SS**  trans-140.2132.6-178.6-90.4161.4000109.4
1134Q23.4Very low29.6Very low174 Ų174135.5 Ų135.581%0.81376%0.758SS**  trans60.1-169154.5-52.4-167.8-2200117.6
1135P41.6Very low29.6Very low108 Ų108134.4 Ų134.470%0.70176%0.757SS**  -131.4-153.1-96.742.6-23.4000114.2
1136L26.7Very low29.8Very low147 Ų147135.4 Ų135.477%0.7775%0.754SS**  trans112151.8177-85.378.9000114.4
1137N26.7Very low29.9Very low122 Ų122137.3 Ų137.365%0.65275%0.754SS**  cis-164.1165-23.3-121.58.1000112.9
1138N27.1Very low30.2Very low138 Ų138136.1 Ų136.174%0.73875%0.753SS**  trans58.5126.7147.3-62.8-1.8000124.1
1139A32.6Very low30.3Very low100 Ų100133.7 Ų133.783%0.82675%0.754SS**  -156.4150127.700000109.7
1140N27.8Very low30.4Very low146 Ų146132.3 Ų132.378%0.78176%0.757SS**  trans-127.8168.1-173.5-83.3-20000112.6
1141D32.5Very low30.3Very low147 Ų147128.6 Ų128.679%0.78675%0.753SS**  trans137.3141.6148.4-72.9-7.3000113.1
1142T31.4Very low30.1Very low109 Ų109127.8 Ų127.867%0.66975%0.752SS**  cis-154.9140.6-10.616.10000112.9
1143I28.8Very low29.9Very low159 Ų159126.5 Ų126.582%0.81575%0.75SS**  trans61.8127.9137.9-63.1164.4000122.5V1145I1143-V1145 HydrophobicContact CG2-CG2 4.41Å
1144G30.8Very low29.8Very low74 Ų74124.8 Ų124.876%0.76375%0.745SS**  trans140.8121.7148.500000116.9
1145V31.9Very low30.1Very low116 Ų116122.5 Ų122.570%0.70374%0.739SS**  cis-166.9140.6-38.4129.50000108.8I1143I1143-V1145 HydrophobicContact CG2-CG2 4.41Å
1146N31.6Very low29.4Very low124 Ų124127.3 Ų127.366%0.66374%0.743SS**  trans65.3144.8174.9-61.4-8.6000117.3
1147H33.6Very low29.6Very low154 Ų154128.3 Ų128.371%0.71374%0.744SS**  cis-168.9160.4-6-99.2-6.2000106.5
1148T33.2Very low29.5Very low123 Ų123128.9 Ų128.976%0.75575%0.747SS**  cis-165.6147.8-6.917.10000110.1
1149G31.5Very low29.7Very low80 Ų80129.2 Ų129.283%0.82575%0.748SS**  trans77.9-171.1166.100000116.1
1150S32.6Very low29.4Very low114 Ų114129.9 Ų129.980%0.79775%0.745SS**  cis177.5144-23.2177.60000107.9
1151C29.4Very low29.6Very low102 Ų102126 Ų12669%0.68974%0.741SS**  cis-156.2150-25.3-96.40000105.6
1152I26.1Very low29.5Very low145 Ų145128.1 Ų128.174%0.74474%0.743SS**  cis85.1128.535.5-60167.7000113.9
1153T23.8Very low29.2Very low119 Ų119131.7 Ų131.773%0.7375%0.749SS**  -172.7178.4-70.238.80000111.1
1154V23.5Very low29.1Very low119 Ų119129 Ų12972%0.72174%0.737SS**  trans80.9124.3158.8-176.60000119.7
1155N29.6Very low28.9Very low126 Ų126133 Ų13367%0.67473%0.733SS**  -174.7139120.8-104.1-58.1000116
1156R27Very low28.6Very low210 Ų210133.7 Ų133.779%0.79273%0.732SS**  trans22.2149.3145.1-58.6170.2-173.11751.8120.7
1157H29.1Very low28.4Very low168 Ų168137 Ų13778%0.77874%0.741SS**  cis-155.6168.236.4-130.8-79.3000113.1
1158N26.6Very low28.1Very low134 Ų134134.1 Ų134.172%0.71774%0.743SS**  trans-118171.6171.9-994.2000112.9
1159D30.5Very low27.7Very low145 Ų145132.8 Ų132.878%0.77574%0.739SS**  trans110.2147142.8-63-57000119.8
1160C26.7Very low27.5Very low113 Ų113136 Ų13676%0.76474%0.737SS**  cis-174.3135.4-25.5-1780000113.2
1161G30.8Very low27.2Very low66 Ų66134.7 Ų134.768%0.6873%0.734SS**  trans91.3171.9155.300000118.4
1162K30.2Very low26.9Very low191 Ų191139.1 Ų139.183%0.8374%0.741SS**  cis-150.3152.5-5.5-83.8170.1-174.2170.80107.5
1163F25.6Very low26.8Very low183 Ų183139.5 Ų139.580%0.80374%0.744SS**  63141.455.6-70-66.6000113.4
1164D27.5Very low26.7Very low104 Ų104140.6 Ų140.656%0.55674%0.74SS**  cis-170.1151.428-125.8-10.9000114.3
1165K27.2Very low26.7Very low157 Ų157142.7 Ų142.768%0.68374%0.742SS**  trans60.1158.3138-65.5174.7175.579.40122.5
1166L24.8Very low26.6Very low130 Ų130140.5 Ų140.568%0.68174%0.737SS**  cis-167.2143.2-19.1-90.3161.1000110.4
1167F27Very low26.5Very low195 Ų195137 Ų13786%0.85574%0.739SS**  trans38.9148140.5-71.9-105.3000122.7
1168A26.8Very low26.6Very low92 Ų92133 Ų13376%0.7673%0.73SS**  cis-153.2-154.25.600000109.4
1169S25.4Very low26.7Very low95 Ų95135.5 Ų135.566%0.66474%0.735SS**  cis-159.3-179.2467.90000113.5
1170D26.8Very low26.6Very low147 Ų147136.1 Ų136.179%0.78674%0.737SS**  trans64124.5150.4-61.8-47.9000126.4
1171A26.3Very low26.6Very low88 Ų88139.8 Ų139.873%0.72774%0.74SS**  trans65.6107.613000000124.3
1172K23.6Very low26.5Very low194 Ų194141.1 Ų141.184%0.84374%0.739SS**  51.6139.1128.3-88.2-173.6177.1-179.30122.5
1173L23.5Very low26.5Very low153 Ų153139.8 Ų139.880%0.80174%0.735SS**  trans67.3149.8159.4-63.4163.2000115.7
1174H23.2Very low26.7Very low142 Ų142140.7 Ų140.766%0.65773%0.733SS**  cis-168.2137.5-35.2-144.2-117.6000105.1
1175E23.4Very low26.4Very low163 Ų163142.5 Ų142.576%0.76274%0.743SS**  trans64.5162.3149.7-85.5-177.3139.600120.1
1176S25.7Very low26.6Very low80 Ų80143 Ų14356%0.55975%0.745SS**  cis-162.5165.5-8.146.50000113.5
1177T26Very low26.9Very low136 Ų136144.7 Ų144.783%0.83475%0.75SS**  trans70.3157.9156.976.40000116.8
1178S30.1Very low26.7Very low85 Ų85141.3 Ų141.359%0.59474%0.741SS**  cis-154162.420.574.30000110.1
1179K30.6Very low26.7Very low186 Ų186145.2 Ų145.281%0.80974%0.744SS**  cis-145.2169.74.8-98.2124.6-170.9165.20106.4
1180L28.5Very low26.8Very low158 Ų158144 Ų14483%0.82775%0.745SS**  cis-154.9154.934.5-162.769.5000112.4
1181K25.7Very low26.7Very low191 Ų191144.1 Ų144.183%0.8375%0.746SS**  trans-57.8170.2177.4-54.5173.1171.1-177.20113.4
1182S29.6Very low26.9Very low94 Ų94146.7 Ų146.766%0.65775%0.748SS**  cis-176.6154.540.355.20000116.1
1183H30Very low27Very low163 Ų163143.2 Ų143.276%0.75574%0.737SS**  trans62.2150.3154.1-68-50000118.8
1184R28.8Very low27.3Very low201 Ų201143.7 Ų143.776%0.75874%0.741SS**  cis-152.9150.41.3-134.2178.4-139-179.53.2110.6
1185D22.5Very low27.4Very low143 Ų143143.7 Ų143.777%0.76575%0.745SS**  trans-75.9163.8166.8-35.5-99000111.5
1186F31.5Very low27.8Very low166 Ų166143.9 Ų143.973%0.72875%0.75SS**  trans-173.2113.3135.9-112.2-75.5000112.5
1187E29.3Very low27.8Very low167 Ų167145 Ų14578%0.7876%0.755SS**  trans54.5173.7146.9-71.1173.3179.300121.9
1188N24Very low28.4Very low123 Ų123144.2 Ų144.266%0.65875%0.752SS**  -165.7163.6-60.4-142.225.5000108.6
1189E25.8Very low28.3Very low175 Ų175148.1 Ų148.182%0.81877%0.766SS**  trans62.3154.7159.1-71.6157.3-13000118.1
1190G28.2Very low28.1Very low68 Ų68149 Ų14970%0.70177%0.766SS**  cis-150.1175.83.400000113.4
1191N24.4Very low28.1Very low150 Ų150148 Ų14880%0.80277%0.766SS**  trans-73.1155.5167.8-54.2-64.9000110
1192D30Very low28.2Very low142 Ų142143.6 Ų143.676%0.75976%0.758SS**  -167.6121.1109.6-92.2-14.3000109.1
1193I25.6Very low27.9Very low122 Ų122148.1 Ų148.163%0.62677%0.768SS**  57.1104.288.4-58.6177.1000112.1
1194N30.9Very low27.8Very low163 Ų163148.5 Ų148.587%0.87278%0.775SS**  trans-151.1116.2135.2-104-57.1000109.9
1195N25.7Very low27.6Very low141 Ų141143.1 Ų143.175%0.75477%0.766SS**  trans-88.4126.3177.7-67.7-62.6000109.8
1196I30.2Very low27.7Very low168 Ų168138.9 Ų138.986%0.86274%0.743SS**  trans-138.3102157.3-52.8179.8000109.9
1197P27.6Very low27.4Very low104 Ų104142.6 Ų142.668%0.67575%0.752SS**  trans-117.1171.7156.939.2-30.2000111.1
1198P38.1Very low27.2Very low118 Ų118139.9 Ų139.977%0.76674%0.738SS**  cis-120.1178.3-31.838.6-26.3000110.6
1199D28.7Very low27.2Very low167 Ų167139.5 Ų139.589%0.89375%0.745SS**  trans-145.6154.8152.7-129.3-31.3000113.9
1200Y24.7Very low27.1Very low204 Ų204140.1 Ų140.180%0.875%0.748SS**  trans-99.1121.6-147.9-165.8-94.3000113.9P1202Y1200-P1202 HydrophobicContact CD1-CG 4.46Å; Y1200-P1202 HydrophobicContact CE1-CG 4.09Å
1201V28.4Very low26.9Very low137 Ų137143.9 Ų143.983%0.8374%0.741SS**  trans-139.7125.2161.7-1740000110
1202P28.2Very low27.1Very low100 Ų100142 Ų14265%0.64974%0.74SS**  trans-73.7155.8-175.5-20.433.9000115.8Y1200Y1200-P1202 HydrophobicContact CD1-CG 4.46Å; Y1200-P1202 HydrophobicContact CE1-CG 4.09Å
1203E23.6Very low26.9Very low188 Ų188142.5 Ų142.588%0.87974%0.735SS**  trans-74.8147.8176.6-58.6-179130.700113.1
1204L26.9Very low27Very low171 Ų171138.9 Ų138.990%0.89573%0.728SS**  trans-128.8105.1173.4-111.4172.1000110.3
1205P25.6Very low26.8Very low89 Ų89136.9 Ų136.958%0.57871%0.709SS**  trans-83.2-179.3177.534.6-36.1000112.7P1105P1105-P1205 HydrophobicContact CB-CB 3.82Å; P1105-P1205 HydrophobicContact CB-CG 4.31Å; P1105-P1205 HydrophobicContact CG-CB 4.09Å; P1105-P1205 HydrophobicContact CG-CG 4.49Å
1206N24.7Very low26.8Very low53 Ų53137.3 Ų137.328%0.28370%0.7SS.*  trans78.146.4165-147.58.2000118.6E1104 P1105 S1106 K1208E1104-N1206 PolarHBondContact OE2-ND2 3.23Å; P1105-N1206 HydrophobicContact CB-CB 3.61Å; S1106-N1206 PolarHBondContact N-OD1 2.84Å; S1106-N1206 PolarHBondContact OG-OD1 2.87Å; N1206-K1208 VanDerWaalsContact C-N 3.26Å; N1206-K1208 PolarHBondContact O-N 3.48Å
1207R25.7Very low26.6Very low244 Ų244137.6 Ų137.692%0.92169%0.692SS**  trans-76.175.3161.6-92.8-167.2174.6-170.80.4112S1209R1207-S1209 PolarHBondContact O-N 3.29Å
1208K23.9Very low26.5Very low110 Ų110137.3 Ų137.348%0.47868%0.678SS.*  trans-54.7130.8158.6-75.3171.9175.3173.50109.2E1104 N1206 Q1210E1104-K1208 IonicContact OE1-NZ 3.49Å; E1104-K1208 PolarHBondContact OE1-NZ 3.45Å; E1104-K1208 IonicContact OE2-NZ 3.65Å; E1104-K1208 PolarHBondContact OE2-NZ 3.23Å; N1206-K1208 VanDerWaalsContact C-N 3.26Å; N1206-K1208 PolarHBondContact O-N 3.48Å; K1208-Q1210 VanDerWaalsContact C-N 3.34Å; K1208-Q1210 PolarHBondContact O-N 3.18Å
1209S24Very low25.8Very low116 Ų116139.4 Ų139.481%0.81168%0.678SS**  trans-73.476.6-16845.90000113.8R1207 R1211R1207-S1209 PolarHBondContact O-N 3.29Å; S1209-R1211 PolarHBondContact O-N 3.49Å
1210Q23.2Very low25.6Very low187 Ų187135.2 Ų135.287%0.87466%0.662SS**  trans-69.273.6162.9-66.6-169.36.700110.4K1208 S1212K1208-Q1210 VanDerWaalsContact C-N 3.34Å; K1208-Q1210 PolarHBondContact O-N 3.18Å; Q1210-S1212 PolarHBondContact O-N 2.71Å
1211R26Very low25.6Very low148 Ų148132.2 Ų132.256%0.55865%0.654SS**  trans-57.1135.8158.9-73.5-168.4179.1-176.62.6107.6D397 S1209 F1213D397-R1211 IonicContact OD2-CZ 2.83Å; D397-R1211 IonicContact OD2-NH2 2.76Å; D397-R1211 PolarHBondContact OD2-NH2 2.93Å; S1209-R1211 PolarHBondContact O-N 3.49Å; R1211-F1213 PolarHBondContact O-N 2.85Å
1212S27.2Very low25.3Very low111 Ų111133.5 Ų133.578%0.77666%0.656SS**  trans-62.2131.4-165.145.30000113Q1210 G1214Q1210-S1212 PolarHBondContact O-N 2.71Å; S1212-G1214 PolarHBondContact O-N 3.43Å
1213F27Very low25.1Very low151 Ų151134.3 Ų134.366%0.66265%0.653SS**  trans-66.5101164.7-80.4-91.9000109.2R1211 Y1215R1211-F1213 PolarHBondContact O-N 2.85Å; F1213-Y1215 HydrophobicContact CB-CD2 4.31Å; F1213-Y1215 HydrophobicContact CD1-CE2 4.25Å; F1213-Y1215 PolarHBondContact O-N 2.81Å
1214G26.8Very low25Very low46 Ų46131.8 Ų131.847%0.47465%0.645SS.*  trans-71.440.4-17100000116.7Q526 S1212 R1216Q526-G1214 PolarHBondContact OE1-O 2.8Å; S1212-G1214 PolarHBondContact O-N 3.43Å; G1214-R1216 PolarHBondContact O-N 3.2Å
1215Y26.7Very low24.9Very low122 Ų122129 Ų12948%0.47864%0.635SS.*  trans-77.585.1177.8-72.5-64.9000112.4F1213F1213-Y1215 HydrophobicContact CB-CD2 4.31Å; F1213-Y1215 HydrophobicContact CD1-CE2 4.25Å; F1213-Y1215 PolarHBondContact O-N 2.81Å
1216R25.2Very low24.7Very low149 Ų149131.2 Ų131.256%0.56264%0.643SS**  trans-163.6163.4161.7-98.1135.3-157.8-90.3-3.2110.6G1214 Y1259G1214-R1216 PolarHBondContact O-N 3.2Å; R1216-Y1259 PolarHBondContact NH2-O 3.36Å
1217Y26Very low24.6Very low175 Ų175133.7 Ų133.769%0.68666%0.661SS**SBendtrans75.635.9178.8-61.7-72.1000119
1218Y25.8Very low24.5Very low97 Ų97126 Ų12638%0.3865%0.645SS.*  trans-142.878.5144-86.6-65.6000110.7M335 Y530M335-Y1218 HydrophobicContact SD-CE2 4.07Å; Y530-Y1218 AromaticContact CD2-CE2 3.81Å; Y530-Y1218 HydrophobicContact CD2-CE2 3.81Å; Y530-Y1218 AromaticContact CD2-CZ 3.92Å; Y530-Y1218 HydrophobicContact CE2-CE2 4.17Å; Y530-Y1218 AromaticContact CE2-CZ 3.8Å; Y530-Y1218 WeakPolarHBondContact CE2-OH 3.4Å
1219Q23.3Very low24.6Very low163 Ų163127.7 Ų127.776%0.76266%0.658SS**  trans-112.756.8174.7-163.9173.42.500111.4H1221Q1219-H1221 PolarHBondContact O-N 3.36Å
1220S24.9Very low24.5Very low79 Ų79128.9 Ų128.955%0.55265%0.653SS**  trans-7663.3174.345.90000112.3L1222S1220-L1222 PolarHBondContact O-N 3.19Å
1221H23.9Very low24.7Very low140 Ų140125.3 Ų125.365%0.64865%0.649SS**  trans-66.6101.6156.2-73.7-65.4000107.7Q1219 I1223Q1219-H1221 PolarHBondContact O-N 3.36Å; H1221-I1223 HydrophobicContact CB-CG1 4.49Å; H1221-I1223 PolarHBondContact O-N 3.31Å
1222L22.7Very low24.5Very low164 Ų164125.6 Ų125.686%0.85966%0.662SS**  trans-68.779.9171.4-83.1165.3000109.8S1220 L1224S1220-L1222 PolarHBondContact O-N 3.19Å; L1222-L1224 PolarHBondContact O-N 3.37Å
1223I24Very low24.6Very low117 Ų117125.5 Ų125.560%0.666%0.661SS**  trans-72.5103.4165.8-65.3177.9000107H1221 T1225H1221-I1223 HydrophobicContact CB-CG1 4.49Å; H1221-I1223 PolarHBondContact O-N 3.31Å; I1223-T1225 HydrophobicContact CG2-CG2 3.61Å; I1223-T1225 PolarHBondContact O-N 2.93Å; I1223-T1225 VanDerWaalsContact O-N 3.12Å
1224L22.3Very low24.4Very low136 Ų136123.2 Ų123.271%0.71266%0.664SS**  trans-72.296.4164.3-75167.3000108.3L1222L1222-L1224 PolarHBondContact O-N 3.37Å
1225T23.4Very low24.4Very low111 Ų111126.9 Ų126.968%0.68167%0.673SS**  trans-113.4103.2165.839.30000109.6I1223 P1227I1223-T1225 HydrophobicContact CG2-CG2 3.61Å; I1223-T1225 PolarHBondContact O-N 2.93Å; I1223-T1225 VanDerWaalsContact O-N 3.12Å; T1225-P1227 WeakPolarHBondContact O-CD 3.48Å
1226D22.5Very low24.5Very low137 Ų137127.9 Ų127.973%0.73369%0.686SS**  trans-65.1121.5168.1-74.2-62000110.9S1228D1226-S1228 PolarHBondContact O-N 3.04Å
1227P23.1Very low24.6Very low105 Ų105125.2 Ų125.268%0.68270%0.696SS**SBendtrans-85.757.2174.136-33.6000110.4T1225T1225-P1227 WeakPolarHBondContact O-CD 3.48Å
1228S22.3Very low24.6Very low83 Ų83124.4 Ų124.458%0.5870%0.704SS**  trans-154.672.2-178.858.40000113.8D1226D1226-S1228 PolarHBondContact O-N 3.04Å
1229I26.5Very low24.7Very low144 Ų144127.4 Ų127.474%0.73873%0.726SS**  trans-116.6121.5152.2-66.2-178000108
1230I22.7Very low24.7Very low141 Ų141127.9 Ų127.972%0.72373%0.729SS**  trans-75.9126.7176.7-66.1159.4000108.6N1232I1230-N1232 HydrophobicContact CG2-CB 4.35Å
1231S26.1Very low24.9Very low113 Ų113131.3 Ų131.379%0.7975%0.746SS**  trans-111.383.9165.356.30000109.7S1233S1231-S1233 PolarHBondContact O-N 3.34Å
1232N22.2Very low24.8Very low154 Ų154131.5 Ų131.582%0.82476%0.758SS**  trans-78.4110166.9-82.9-12.2000109.1I1230I1230-N1232 HydrophobicContact CG2-CB 4.35Å
1233S28.5Very low24.9Very low109 Ų109129.9 Ų129.976%0.76276%0.759SS**  trans-153.8101.1158.460.80000110.1S1231S1231-S1233 PolarHBondContact O-N 3.34Å
1234S22.9Very low24.7Very low103 Ų103130.3 Ų130.372%0.7277%0.767SS**  trans-73.5146159.955.50000109.5
1235N28.6Very low24.8Very low122 Ų122131.2 Ų131.265%0.65277%0.771SS**  171.9120.5115.7-87.921.9000110.7
1236D27Very low24.9Very low143 Ų143135 Ų13577%0.76578%0.778SS**  trans63.1156.8133.7-46-31.8000123.3
1237A28.9Very low24.8Very low93 Ų93135.4 Ų135.477%0.76979%0.786SS**  trans80.6104.2163.200000118.8
1238D25Very low25Very low158 Ų158135.8 Ų135.885%0.84579%0.791SS**  trans-45.4151.7156.1-45.1-84.8000114
1239D29.1Very low25Very low160 Ų160137 Ų13786%0.85680%0.8SS**  -159.9168.5103-139-27.8000112.5
1240Q22.7Very low25.2Very low173 Ų173135.1 Ų135.181%0.80880%0.797SS**  trans-99144-175.1-57.6178.39.300112.8
1241T28Very low25.2Very low151 Ų151135 Ų13593%0.92680%0.797SS**  trans-159.5128.8144.1-2.70000111.8
1242T21.6Very low25Very low144 Ų144135.7 Ų135.788%0.88380%0.797SS**  trans-95.5137.7179.126.80000111.8
1243C25.5Very low25Very low131 Ų131134 Ų13489%0.88580%0.796SS**  trans-151.6136.8149.5-147.70000111.1
1244T20.5Very low24.7Very low126 Ų126133.9 Ų133.977%0.77379%0.791SS**  trans-86.7150.2-173.749.30000112.6
1245I24.8Very low24.6Very low155 Ų155134 Ų13480%0.79579%0.789SS**  trans-164.7126145.3-105.4148.3000111.8
1246F24.1Very low24.5Very low190 Ų190134.2 Ų134.283%0.83380%0.797SS**  trans40114.9160.4-70.1-95.5000122.4
1247T21.2Very low24.2Very low145 Ų145131.5 Ų131.589%0.8980%0.795SS**  trans-86.2127.6155.751.20000111.7
1248S26.7Very low23.9Very low113 Ų113131.7 Ų131.779%0.7979%0.786SS**  trans-150.5125.1163.757.90000112.4
1249S23.3Very low23.8Very low110 Ų110134.2 Ų134.277%0.76979%0.785SS**  trans-72.4174.6161.856.90000110.2
1250P29.1Very low23.4Very low103 Ų103134.2 Ų134.267%0.66977%0.773SS**  cis-146.6177.12244.4-24.4000119.2
1251N22.8Very low23.5Very low138 Ų138131.9 Ų131.974%0.73877%0.773SS**  trans1.4120.4148.1-47.73.1000117.9
1252T22.2Very low23.3Very low129 Ų129129.2 Ų129.279%0.79175%0.753SS**  trans-167.584.4135.97.10000111T1254T1252-T1254 PolarHBondContact O-N 3.18Å
1253C23.2Very low23.4Very low119 Ų119129.9 Ų129.980%0.80475%0.75SS**  trans-89.273.5169.8-82.80000110.9
1254T22.1Very low23.3Very low105 Ų105132.3 Ų132.364%0.64475%0.746SS**  trans-66.8145.9161.741.80000110.1T1252T1252-T1254 PolarHBondContact O-N 3.18Å
1255P21.2Very low23.4Very low105 Ų105134.4 Ų134.468%0.68275%0.745SS**  trans-69.7133.6-175.326.5-34.1000111.6A1257P1255-A1257 PolarHBondContact O-N 3.05Å
1256P24.9Very low23.5Very low128 Ų128134.9 Ų134.983%0.83174%0.743SS**  trans-69.6106179.327.4-33.9000110.9
1257A21.3Very low23.5Very low86 Ų86133.8 Ų133.871%0.71174%0.739SS**  trans-71.8150.6177.200000112.5P1255 Y1259P1255-A1257 PolarHBondContact O-N 3.05Å; A1257-Y1259 PolarHBondContact O-N 3.21Å
1258V22.8Very low23.7Very low96 Ų96133 Ų13358%0.58273%0.729SS**  trans21.686.4150.9-1680000116.5R1260V1258-R1260 HydrophobicContact CG1-CG 4.12Å; V1258-R1260 PolarHBondContact O-N 2.95Å
1259Y22.7Very low23.7Very low212 Ų212134.1 Ų134.183%0.83173%0.726SS**  trans-70.9112.6153.3-133.4-94.2000109.1R1216 A1257R1216-Y1259 PolarHBondContact NH2-O 3.36Å; A1257-Y1259 PolarHBondContact O-N 3.21Å
1260R21.8Very low24Very low159 Ų159135.2 Ų135.260%0.673%0.728SS**  trans-115.2139159.4-95.2-167.1-178-174.41.8107.1V1258 D1262V1258-R1260 HydrophobicContact CG1-CG 4.12Å; V1258-R1260 PolarHBondContact O-N 2.95Å; R1260-D1262 WeakPolarHBondContact CD-OD1 3.44Å; R1260-D1262 WeakPolarHBondContact CD-OD2 3.42Å; R1260-D1262 IonicContact CZ-OD1 3.59Å; R1260-D1262 IonicContact CZ-OD2 2.73Å; R1260-D1262 IonicContact NE-OD1 2.75Å; R1260-D1262 IonicContact NE-OD2 3.14Å; R1260-D1262 IonicContact NH1-OD1 3.9Å; R1260-D1262 PolarHBondContact NH1-OD1 2.99Å; R1260-D1262 IonicContact NH1-OD2 3.65Å; R1260-D1262 PolarHBondContact NH1-OD2 3.2Å; R1260-D1262 PolarHBondContact O-N 2.89Å
1261P23.6Very low23.8Very low124 Ų124139.5 Ų139.581%0.80574%0.739SS**  trans-79.965.8158.335-32.7000109.7L1263P1261-L1263 PolarHBondContact O-N 2.9Å; P1261-L1263 VanDerWaalsContact O-N 3.11Å
1262D24.7Very low24.1Very low95 Ų95138.3 Ų138.351%0.50874%0.742SS.*  trans-72.7101.8167.9-87.7-25.1000108.2R1260 K1264R1260-D1262 WeakPolarHBondContact CD-OD1 3.44Å; R1260-D1262 WeakPolarHBondContact CD-OD2 3.42Å; R1260-D1262 IonicContact CZ-OD1 3.59Å; R1260-D1262 IonicContact CZ-OD2 2.73Å; R1260-D1262 IonicContact NE-OD1 2.75Å; R1260-D1262 IonicContact NE-OD2 3.14Å; R1260-D1262 IonicContact NH1-OD1 3.9Å; R1260-D1262 PolarHBondContact NH1-OD1 2.99Å; R1260-D1262 IonicContact NH1-OD2 3.65Å; R1260-D1262 PolarHBondContact NH1-OD2 3.2Å; R1260-D1262 PolarHBondContact O-N 2.89Å; D1262-K1264 PolarHBondContact O-N 2.74Å
1263L23.5Very low24.4Very low158 Ų158140.4 Ų140.483%0.82774%0.743SS**  trans-64.480.7165.5-93.1150.1000109.6P1261 F1265P1261-L1263 PolarHBondContact O-N 2.9Å; P1261-L1263 VanDerWaalsContact O-N 3.11Å; L1263-F1265 PolarHBondContact O-N 3Å; L1263-F1265 VanDerWaalsContact O-N 3.11Å
1264K22.6Very low24.6Very low182 Ų182141.1 Ų141.179%0.79174%0.738SS**  trans-71.3100.1166.8-80.9-169.1172.5-174.20109.4D1262 H1266D1262-K1264 PolarHBondContact O-N 2.74Å; K1264-H1266 PolarHBondContact O-N 3.15Å
1265F23.9Very low25.1Very low170 Ų170144.1 Ų144.175%0.74675%0.745SS**  trans-57.4126.4154.1-73.7-97.4000108.3L1263 F1267L1263-F1265 PolarHBondContact O-N 3Å; L1263-F1265 VanDerWaalsContact O-N 3.11Å; F1265-F1267 HydrophobicContact CB-CD2 4.32Å; F1265-F1267 HydrophobicContact CB-CE2 4.3Å; F1265-F1267 PolarHBondContact O-N 2.99Å
1266H25.1Very low25.5Very low166 Ų166146.2 Ų146.277%0.76975%0.75SS**  trans-73.3103.6168.7-97.7-81.9000108.9K1264 N1268K1264-H1266 PolarHBondContact O-N 3.15Å; H1266-N1268 PolarHBondContact ND1-OD1 3.48Å
1267F24.3Very low26Very low167 Ų167148.3 Ų148.373%0.73275%0.753SS**  trans-95.7102.7153-80.4-88.4000107.2F1265F1265-F1267 HydrophobicContact CB-CD2 4.32Å; F1265-F1267 HydrophobicContact CB-CE2 4.3Å; F1265-F1267 PolarHBondContact O-N 2.99Å
1268N26.4Very low26.4Very low129 Ų129150.9 Ų150.969%0.6976%0.755SS**  trans-110.376.1168.5-87.746.2000107.4H1266H1266-N1268 PolarHBondContact ND1-OD1 3.48Å
1269D26.7Very low26.9Very low136 Ų136153.8 Ų153.873%0.72777%0.767SS**  trans-93.1103.2171.4-63.7-51.4000109.1
1270T30Very low27.4Very low132 Ų132154.5 Ų154.581%0.8177%0.768SS**  trans-132.7113.4163.448.20000108.1
1271E24.7Very low27.9Very low194 Ų194152.1 Ų152.191%0.90777%0.767SS**  trans-74.9125.6-173.2-57.5166.9128.100111.5
1272S29.7Very low28.6Very low112 Ų112154 Ų15478%0.78377%0.766SS**  trans-162.3103.4148.9-19.20000111.8
1273E26.6Very low29.2Very low174 Ų174157.2 Ų157.281%0.81378%0.777SS**  trans41.5123.3130.3-61.6-170.8169.300122.5
1274N29.2Very low30Very low133 Ų133155.8 Ų155.871%0.71177%0.767SS**  trans110.7125.7134.9-61.3-21.9000121.8
1275E31.5Very low30.7Very low169 Ų169155 Ų15579%0.7976%0.758SS**  trans72.297.6144.4-66.9174.2-171.300120.8
1276D30.4Very low31.4Very low148 Ų148153.1 Ų153.179%0.79175%0.752SS**  54121.5123.4-57.31.1000121.6
1277I35Very low32.3Very low173 Ų173150 Ų15089%0.88774%0.74SS**  -172.3152.9102.1-92.5160.6000110.3
1278D30Very low33Very low140 Ų140147.1 Ų147.175%0.74973%0.729SS**  trans-82-164-167.1-103.1-53.6000116.5
1279D32.1Very low33.5Very low157 Ų157147.4 Ų147.484%0.8473%0.726SS**SBendtrans82.332.1163.7-69.9-16.6000120.1
1280R34.1Very low33.9Very low226 Ų226147.9 Ų147.985%0.85372%0.724SS**SBendtrans-132.6-8.4156.5-71.5-163.5176.9-162.9-0.6117.6Q1282R1280-Q1282 PolarHBondContact O-N 3.07Å; R1280-Q1282 VanDerWaalsContact O-N 3.11Å
1281N31.4Very low34.1Very low109 Ų109150.3 Ų150.358%0.58372%0.718SS**THydrogen-bonded Turntrans-8834-166.6-79.2-38.6000116.4R1285N1281-R1285 VanDerWaalsContact O-CZ 3.24Å; N1281-R1285 PolarHBondContact O-NE 2.98Å; N1281-R1285 PolarHBondContact O-NH2 2.95Å
1282Q39Very low34.6Very low165 Ų165148.4 Ų148.477%0.77171%0.707SS**THydrogen-bonded Turntrans-121.6-40.4177.7-158144.41.200115.1R1280 Q1284R1280-Q1282 PolarHBondContact O-N 3.07Å; R1280-Q1282 VanDerWaalsContact O-N 3.11Å; Q1282-Q1284 VanDerWaalsContact C-N 3.33Å; Q1282-Q1284 PolarHBondContact O-N 3.32Å
1283Q37.8Very low34.6Very low162 Ų162150.9 Ų150.976%0.75771%0.706SS**Hα-helixtrans-73-22.7174-80-174.3-2900114
1284Q40.1Very low34.7Very low128 Ų128146.9 Ų146.960%0.59870%0.697SS**Hα-helixtrans-80.8-24-176.3-157.9146.3-20.300113.1Q1282 E1288Q1282-Q1284 VanDerWaalsContact C-N 3.33Å; Q1282-Q1284 PolarHBondContact O-N 3.32Å; Q1284-E1288 PolarHBondContact O-N 3.14Å
1285R37Very low34.6Very low164 Ų164148.6 Ų148.662%0.61970%0.701SS**Hα-helixtrans-73.2-39.5177.7-78.2-173.7-98.4-149.20.4112.8N1281 I1287 E1288 E1289N1281-R1285 VanDerWaalsContact O-CZ 3.24Å; N1281-R1285 PolarHBondContact O-NE 2.98Å; N1281-R1285 PolarHBondContact O-NH2 2.95Å; R1285-I1287 VanDerWaalsContact C-N 3.27Å; R1285-I1287 PolarHBondContact O-N 2.9Å; R1285-E1288 PolarHBondContact O-N 3.09Å; R1285-E1289 PolarHBondContact O-N 2.96Å
1286E37.7Very low34.3Very low131 Ų131145.6 Ų145.661%0.61270%0.697SS**Hα-helixtrans-64.4-31.5176.7-63.6-174.9142.900112.4Q1290E1286-Q1290 WeakPolarHBondContact O-CG 3.38Å; E1286-Q1290 PolarHBondContact O-N 3.3Å
1287I44.5Very low34Very low100 Ų100147.6 Ų147.651%0.51370%0.702SS.*Hα-helixtrans-74-34.7176.8-64.5173.8000111.8R1285 R1291R1285-I1287 VanDerWaalsContact C-N 3.27Å; R1285-I1287 PolarHBondContact O-N 2.9Å; I1287-R1291 PolarHBondContact O-N 2.81Å
1288E38.7Very low33.5Very low108 Ų108146.2 Ų146.251%0.50569%0.693SS.*Hα-helixtrans-78.4-30.4176.6-70.7-162.212800113.7Q1284 R1285 K1292Q1284-E1288 PolarHBondContact O-N 3.14Å; R1285-E1288 PolarHBondContact O-N 3.09Å; E1288-K1292 WeakPolarHBondContact O-CG 3.33Å; E1288-K1292 PolarHBondContact O-N 2.95Å; E1288-K1292 VanDerWaalsContact O-N 3.11Å
1289E38.1Very low33.2Very low135 Ų135146.1 Ų146.163%0.63170%0.702SS**Hα-helixtrans-70-38.1171.2-69.8-163.2144.900112R1285 R1291 K1292 Q1293R1285-E1289 PolarHBondContact O-N 2.96Å; E1289-R1291 PolarHBondContact O-N 3.37Å; E1289-K1292 PolarHBondContact O-N 3.16Å; E1289-Q1293 PolarHBondContact O-N 3.33Å; E1289-Q1293 VanDerWaalsContact O-N 3.16Å
1290Q35Very low32.7Very low146 Ų146146.4 Ų146.468%0.68270%0.696SS**Hα-helixtrans-62.5-40.3172.5-74.7-17816.700112.4E1286 K1292 Q1293 S1294E1286-Q1290 WeakPolarHBondContact O-CG 3.38Å; E1286-Q1290 PolarHBondContact O-N 3.3Å; Q1290-K1292 PolarHBondContact O-N 3.24Å; Q1290-Q1293 PolarHBondContact O-N 3.07Å; Q1290-S1294 PolarHBondContact O-N 2.87Å
1291R34.6Very low32.3Very low183 Ų183143.3 Ų143.369%0.69170%0.695SS**Hα-helixtrans-62.1-41.9173.7-84.1-176.7165.2172.1-3.5112.8I1287 E1289 Q1293 S1294I1287-R1291 PolarHBondContact O-N 2.81Å; E1289-R1291 PolarHBondContact O-N 3.37Å; R1291-Q1293 VanDerWaalsContact C-N 3.26Å; R1291-Q1293 PolarHBondContact O-N 3.3Å; R1291-S1294 PolarHBondContact O-N 2.75Å; R1291-S1294 PolarHBondContact O-OG 2.77Å
1292K33.7Very low32Very low154 Ų154141.8 Ų141.867%0.6769%0.69SS**Hα-helixtrans-69.1-19.1178.8-74.3170.8-177.6164.60114E1288 E1289 Q1290E1288-K1292 WeakPolarHBondContact O-CG 3.33Å; E1288-K1292 PolarHBondContact O-N 2.95Å; E1288-K1292 VanDerWaalsContact O-N 3.11Å; E1289-K1292 PolarHBondContact O-N 3.16Å; Q1290-K1292 PolarHBondContact O-N 3.24Å
1293Q30.2Very low31.4Very low164 Ų164139.8 Ų139.877%0.76668%0.684SS**Hα-helixtrans-88.9-16.1173.1-67.4-172.49.900113.9E1289 Q1290 R1291E1289-Q1293 PolarHBondContact O-N 3.33Å; E1289-Q1293 VanDerWaalsContact O-N 3.16Å; Q1290-Q1293 PolarHBondContact O-N 3.07Å; R1291-Q1293 VanDerWaalsContact C-N 3.26Å; R1291-Q1293 PolarHBondContact O-N 3.3Å
1294S29.1Very low30.9Very low89 Ų89138.4 Ų138.462%0.62268%0.681SS**Hα-helixtrans-78.6-20.2172.448.50000114.9Q1290 R1291 C1296Q1290-S1294 PolarHBondContact O-N 2.87Å; R1291-S1294 PolarHBondContact O-N 2.75Å; R1291-S1294 PolarHBondContact O-OG 2.77Å; S1294-C1296 PolarHBondContact O-N 3.01Å
1295E27.4Very low30.1Very low170 Ų170140.1 Ų140.179%0.79469%0.691SS**SBendtrans-96.148.2-175.6-65.1-168.3138.400114
1296C25.2Very low29.6Very low105 Ų105136.1 Ų136.171%0.70969%0.686SS**SBendtrans-139.420.8-179.6-126.90000116.5S1294S1294-C1296 PolarHBondContact O-N 3.01Å
1297H24.4Very low29Very low191 Ų191136.1 Ų136.188%0.88470%0.695SS**SBendtrans-137.550.8178.4-85.6-57.2000114.8
1298M23.4Very low28.1Very low144 Ų144136.9 Ų136.971%0.70971%0.707SS**  trans-142.725.4171.8-111.6-83.977.500115.7K1300M1298-K1300 PolarHBondContact O-N 2.88Å
1299C23.1Very low27.6Very low138 Ų138137.2 Ų137.293%0.93272%0.718SS**  trans-78.959.7174.4-62.60000113.2
1300K22.9Very low27.1Very low163 Ų163136.3 Ų136.371%0.70972%0.724SS**  trans-16192.9160.5-139.2-177.7-175.2-169.50111.4M1298 T1302M1298-K1300 PolarHBondContact O-N 2.88Å; K1300-T1302 PolarHBondContact O-N 2.78Å
1301L24.4Very low26.8Very low160 Ų160135.2 Ų135.284%0.83873%0.729SS**  trans-85.459.4-175.6-149.7127.3000111.7L1303L1301-L1303 PolarHBondContact O-N 2.97Å
1302T26.3Very low26.4Very low77 Ų77134.1 Ų134.147%0.47274%0.738SS.*  trans-81.3110.3174.1-57.20000109.2K1300 L1304K1300-T1302 PolarHBondContact O-N 2.78Å; T1302-L1304 PolarHBondContact O-N 3.16Å; T1302-L1304 VanDerWaalsContact O-N 3.11Å
1303L25.4Very low26.2Very low123 Ų123133 Ų13364%0.64475%0.749SS**  trans-62.5110.1168.6-73.8170000109.1L1301L1301-L1303 PolarHBondContact O-N 2.97Å
1304L27.4Very low26Very low133 Ų133130.2 Ų130.270%0.69675%0.747SS**  trans-114.4107.5-163.9-151.6160.6000110.8T1302 P1306T1302-L1304 PolarHBondContact O-N 3.16Å; T1302-L1304 VanDerWaalsContact O-N 3.11Å; L1304-P1306 HydrophobicContact CD2-CB 4.35Å
1305M23.5Very low25.8Very low165 Ų165131.4 Ų131.481%0.81376%0.756SS**PPolyproline II helixtrans-91.1124.4156.1-82.5-77.9146.600107.5T1307M1305-T1307 PolarHBondContact O-N 3.06Å
1306P27.4Very low25.8Very low79 Ų79128.9 Ų128.951%0.51375%0.752SS.*PPolyproline II helixtrans-73.3116-172.727.6-33.3000111.4L1304L1304-P1306 HydrophobicContact CD2-CB 4.35Å
1307T25Very low26Very low131 Ų131132.3 Ų132.380%0.80476%0.76SS**PPolyproline II helixtrans-90.1135.9162.346.10000109.7M1305M1305-T1307 PolarHBondContact O-N 3.06Å
1308P25.8Very low26Very low116 Ų116129.8 Ų129.875%0.75376%0.758SS**PPolyproline II helixtrans-71.6146.8-177.829.1-34.9000111.6
1309P28.3Very low26.2Very low115 Ų115129.5 Ų129.575%0.74776%0.764SS**PPolyproline II helixtrans-73.1147.7178.530.7-35.1000112
1310P26.4Very low26.4Very low116 Ų116127.6 Ų127.675%0.75375%0.752SS**PPolyproline II helixtrans-72.6148.7166.932.3-34.2000110.7
1311P30Very low26.8Very low123 Ų123126.2 Ų126.280%0.79976%0.76SS**PPolyproline II helixtrans-77.5138.7-174.330.5-35.3000113.8
1312D25.8Very low26.9Very low161 Ų161123.4 Ų123.486%0.86175%0.754SS**  trans21.9117.6154-57-27.2000120.6
1313S29.4Very low27.1Very low129 Ų129129.9 Ų129.990%0.90278%0.775SS**  trans-132.7142.213856.90000109.1
1314S25.5Very low27.1Very low106 Ų106132.6 Ų132.674%0.74179%0.787SS**  trans-106.9149.5-153.453.90000115.5
1315S25.5Very low27.4Very low115 Ų115135.1 Ų135.180%0.80479%0.792SS**  trans67.5159.8167.975.70000115.8
1316V27.1Very low28.1Very low116 Ų116137.1 Ų137.170%0.70380%0.796SS**  cis-142.3144.620.7-179.20000111.7
1317M28.4Very low29.1Very low177 Ų177134.9 Ų134.987%0.87278%0.781SS**  trans50.6130.6160.5-73.1178.9172.300122.7
1318T24.6Very low31Very low139 Ų139132.2 Ų132.285%0.85377%0.766SS**  trans-72.2135.8161.848.60000113
1319V28.5Very low33.4Very low137 Ų137133.1 Ų133.183%0.8375%0.754SS**  trans-129.8143.7161.1179.50000108.9
1320S26.7Very low36.1Very low99 Ų99128.5 Ų128.569%0.69272%0.724SS**  trans-68.8149.6-171.1470000114.2S1322S1320-S1322 PolarHBondContact O-N 3.38Å
1321P31.3Very low39.1Very low133 Ų133124.8 Ų124.886%0.86470%0.696SS**  trans-76.891.6-171.830.7-35.9000112.6
1322S26.7Very low41.9Very low102 Ų102119 Ų11971%0.71366%0.658SS**  trans-67.5143.8164.863.40000110.9S1320 M1324S1320-S1322 PolarHBondContact O-N 3.38Å; S1322-M1324 PolarHBondContact O-N 3.14Å
1323K29.7Very low44.9Very low212 Ų212112 Ų11292%0.92262%0.62SS**  trans-60.289.4-172.1-66.1175.7179.1175.40113.1K1325K1323-K1325 PolarHBondContact O-N 3.12Å
1324M26.7Very low47.6Very low180 Ų180109.2 Ų109.289%0.88759%0.592SS**PPolyproline II helixtrans-68.3120.3164.2-79.1-158.917100110S1322 K1326S1322-M1324 PolarHBondContact O-N 3.14Å; M1324-K1326 PolarHBondContact O-N 3.22Å
1325K32.8Very low50.3Low186 Ų186106.4 Ų106.481%0.80957%0.569SS**PPolyproline II helixtrans-60.7122.5165.5-69.3-178.7177.5-179.90108K1323 V1327K1323-K1325 PolarHBondContact O-N 3.12Å; K1325-V1327 PolarHBondContact O-N 2.94Å; K1325-V1327 VanDerWaalsContact O-N 3.08Å
1326K39.1Very low52.9Low208 Ų208101 Ų10190%0.90453%0.531SS*.PPolyproline II helixtrans-55.2116.8168.2-78.5-174174.3-1770108M1324M1324-K1326 PolarHBondContact O-N 3.22Å
1327V48.2Very low55.2Low32 Ų3296.1 Ų96.119%0.19450%0.501CS..PPolyproline II helixtrans-71.8128.4171179.50000107.1R1016 K1325 W1329R1016-V1327 HydrophobicContact CG-CG1 4.18Å; K1325-V1327 PolarHBondContact O-N 2.94Å; K1325-V1327 VanDerWaalsContact O-N 3.08Å; V1327-W1329 PolarHBondContact O-N 2.85Å
1328P65.1Low57Low75 Ų7592.7 Ų92.749%0.48749%0.486SS..PPolyproline II helixtrans-68.7117.817628-32.8000109.5L1017L1017-P1328 HydrophobicContact CB-CG 4.38Å; L1017-P1328 HydrophobicContact CD1-CB 4.13Å; L1017-P1328 HydrophobicContact CD1-CG 3.96Å; L1017-P1328 PolarHBondContact N-O 2.82Å
1329W76.1Confident58.3Low134 Ų13489.3 Ų89.351%0.50847%0.465SS..EExtended strand (participates in β ladder)trans-86143.7159.1-52.890.2000106.9F1014 R1016 V1327F1014-W1329 HydrophobicContact CD2-CB 4.5Å; F1014-W1329 HydrophobicContact CD2-CD2 4.45Å; F1014-W1329 AromaticContact CD2-CE3 3.74Å; F1014-W1329 HydrophobicContact CD2-CE3 3.74Å; F1014-W1329 HydrophobicContact CD2-CZ3 4.35Å; F1014-W1329 HydrophobicContact CE2-CD2 4.33Å; F1014-W1329 AromaticContact CE2-CE3 3.57Å; F1014-W1329 HydrophobicContact CE2-CE3 3.57Å; F1014-W1329 AromaticContact CE2-CZ3 3.78Å; F1014-W1329 HydrophobicContact CE2-CZ3 3.78Å; R1016-W1329 HydrophobicContact CB-CE3 3.65Å; R1016-W1329 HydrophobicContact CB-CH2 4.48Å; R1016-W1329 HydrophobicContact CB-CZ3 3.59Å; R1016-W1329 HydrophobicContact CG-CD2 4.45Å; R1016-W1329 HydrophobicContact CG-CE3 3.87Å; R1016-W1329 HydrophobicContact CG-CH2 4.25Å; R1016-W1329 HydrophobicContact CG-CZ3 3.78Å; V1327-W1329 PolarHBondContact O-N 2.85Å
1330T85Confident59.3Low18 Ų1890.6 Ų90.611%0.1146%0.462CS..EExtended strand (participates in β ladder)trans-124.8122.4-179.8-62.30000109.4Y935 F1014 Y1015 L1017 E1334Y935-T1330 WeakPolarHBondContact OH-CG2 3.23Å; F1014-T1330 CarbonylContact C-O 3.44Å; F1014-T1330 WeakPolarHBondContact CA-O 3.5Å; Y1015-T1330 PolarHBondContact N-O 2.87Å; Y1015-T1330 PolarHBondContact O-N 3.33Å; L1017-T1330 VanDerWaalsContact CD1-OG1 3.29Å; L1017-T1330 WeakPolarHBondContact CD1-OG1 3.48Å; T1330-E1334 WeakPolarHBondContact CA-OE2 3.44Å; T1330-E1334 HydrophobicContact CG2-CB 4.28Å; T1330-E1334 VanDerWaalsContact CG2-OE2 3.28Å; T1330-E1334 WeakPolarHBondContact CG2-OE2 3.45Å
1331Y89Confident60.5Low39 Ų3987.1 Ų87.115%0.15344%0.436CS..EExtended strand (participates in β ladder)trans-81.7154.2175.3-77.2-96000110.2Y935 H1011 F1014 F1333 E1334 N1455Y935-Y1331 PolarHBondContact OH-O 2.95Å; H1011-Y1331 VanDerWaalsContact O-CD1 3.26Å; H1011-Y1331 WeakPolarHBondContact O-CD1 3.47Å; H1011-Y1331 WeakPolarHBondContact O-CE1 3.23Å; F1014-Y1331 HydrophobicContact CB-CD1 3.72Å; F1014-Y1331 HydrophobicContact CB-CD2 4.26Å; F1014-Y1331 HydrophobicContact CB-CE1 3.83Å; F1014-Y1331 HydrophobicContact CB-CE2 4.35Å; F1014-Y1331 HydrophobicContact CB-CG 3.94Å; F1014-Y1331 HydrophobicContact CD1-CE1 4.08Å; F1014-Y1331 HydrophobicContact CG-CE1 4.23Å; Y1331-F1333 VanDerWaalsContact CB-CD1 3.4Å; Y1331-F1333 HydrophobicContact CD1-CE1 4.43Å; Y1331-F1333 HydrophobicContact CD2-CE1 4.26Å; Y1331-F1333 HydrophobicContact CG-CD1 4.17Å; Y1331-F1333 AromaticContact CG-CE1 3.8Å; Y1331-F1333 HydrophobicContact CG-CE1 3.8Å; Y1331-F1333 PolarHBondContact O-N 3.08Å; Y1331-E1334 PolarHBondContact N-OE2 2.93Å; Y1331-E1334 PolarHBondContact O-N 2.83Å; Y1331-N1455 WeakPolarHBondContact CE1-ND2 3.46Å; Y1331-N1455 WeakPolarHBondContact CE2-ND2 3.37Å; Y1331-N1455 PolarHBondContact OH-ND2 3.13Å
1332L89.2Confident61.4Low0 Ų089.9 Ų89.90%043%0.429CS..Hα-helixtrans-58.4-35.8178.1-80.7173.1000112.4I929 Y935 I938 L939 L942 V1009 H1013 E1334 D1335 I1336I929-L1332 HydrophobicContact CD1-CD1 4.15Å; I929-L1332 HydrophobicContact CD1-CG 4.32Å; Y935-L1332 HydrophobicContact CD2-CD2 3.67Å; Y935-L1332 HydrophobicContact CD2-CG 4.25Å; Y935-L1332 HydrophobicContact CE2-CD2 3.4Å; Y935-L1332 VanDerWaalsContact CE2-CD2 3.4Å; Y935-L1332 HydrophobicContact CE2-CG 3.84Å; Y935-L1332 HydrophobicContact CG-CD2 4.36Å; I938-L1332 HydrophobicContact CB-CD1 4.4Å; I938-L1332 HydrophobicContact CG2-CD1 3.54Å; I938-L1332 HydrophobicContact CG2-CD2 4.46Å; L939-L1332 HydrophobicContact CB-CD2 3.96Å; L939-L1332 HydrophobicContact CD1-CD2 4.46Å; L942-L1332 HydrophobicContact CD1-CD1 3.86Å; V1009-L1332 HydrophobicContact CG1-CD1 4.07Å; H1013-L1332 HydrophobicContact CB-CD1 3.75Å; H1013-L1332 HydrophobicContact CB-CG 4.44Å; H1013-L1332 PolarHBondContact O-N 3.37Å; L1332-E1334 PolarHBondContact O-N 2.84Å; L1332-D1335 PolarHBondContact O-N 3.44Å; L1332-I1336 HydrophobicContact CB-CD1 4.28Å; L1332-I1336 WeakPolarHBondContact O-CD1 3.38Å; L1332-I1336 WeakPolarHBondContact O-CG1 3.34Å; L1332-I1336 PolarHBondContact O-N 2.69Å
1333F88.2Confident62.5Low15 Ų1593.9 Ų93.97%0.06643%0.433CS..Hα-helixtrans-60.3-32.2-179.479-99.4000113.7A1010 Y1331 I1336 F1337 M1413 N1455A1010-F1333 HydrophobicContact CB-CB 4.21Å; A1010-F1333 PolarHBondContact O-N 3.29Å; A1010-F1333 VanDerWaalsContact O-N 3.09Å; Y1331-F1333 VanDerWaalsContact CB-CD1 3.4Å; Y1331-F1333 HydrophobicContact CD1-CE1 4.43Å; Y1331-F1333 HydrophobicContact CD2-CE1 4.26Å; Y1331-F1333 HydrophobicContact CG-CD1 4.17Å; Y1331-F1333 AromaticContact CG-CE1 3.8Å; Y1331-F1333 HydrophobicContact CG-CE1 3.8Å; Y1331-F1333 PolarHBondContact O-N 3.08Å; F1333-I1336 PolarHBondContact O-N 3.15Å; F1333-F1337 HydrophobicContact CB-CD2 4.07Å; F1333-F1337 HydrophobicContact CB-CE2 3.91Å; F1333-F1337 HydrophobicContact CD2-CD2 4.34Å; F1333-F1337 WeakPolarHBondContact O-CD2 3.45Å; F1333-F1337 WeakPolarHBondContact O-CG 3.09Å; F1333-F1337 PolarHBondContact O-N 2.8Å; F1333-M1413 HydrophobicContact CB-CE 4.38Å; F1333-M1413 HydrophobicContact CB-CG 3.46Å; F1333-M1413 VanDerWaalsContact CB-CG 3.46Å; F1333-M1413 HydrophobicContact CB-SD 3.45Å; F1333-M1413 WeakPolarHBondContact CB-SD 3.29Å; F1333-M1413 HydrophobicContact CD1-CG 3.81Å; F1333-M1413 HydrophobicContact CD1-SD 3.99Å; F1333-M1413 HydrophobicContact CD2-CG 3.53Å; F1333-M1413 HydrophobicContact CE1-CG 4.46Å; F1333-M1413 HydrophobicContact CE2-CG 4.22Å; F1333-M1413 HydrophobicContact CG-CG 3.32Å; F1333-M1413 HydrophobicContact CG-SD 3.79Å; F1333-N1455 HydrophobicContact CE1-CB 3.84Å; F1333-N1455 HydrophobicContact CZ-CB 4.37Å
1334E85.9Confident63.9Low70 Ų7084.7 Ų84.733%0.32740%0.396SS..Hα-helixtrans-64-54.5-178.1-61.2172.3155.500109.9T1330 Y1331 L1332 I1336 F1337 D1338T1330-E1334 WeakPolarHBondContact CA-OE2 3.44Å; T1330-E1334 HydrophobicContact CG2-CB 4.28Å; T1330-E1334 VanDerWaalsContact CG2-OE2 3.28Å; T1330-E1334 WeakPolarHBondContact CG2-OE2 3.45Å; Y1331-E1334 PolarHBondContact N-OE2 2.93Å; Y1331-E1334 PolarHBondContact O-N 2.83Å; L1332-E1334 PolarHBondContact O-N 2.84Å; E1334-I1336 VanDerWaalsContact C-N 3.3Å; E1334-I1336 PolarHBondContact O-N 2.97Å; E1334-F1337 PolarHBondContact O-N 3.09Å; E1334-D1338 WeakPolarHBondContact O-CB 3.48Å; E1334-D1338 PolarHBondContact O-N 3.29Å
1335D83.6Confident65.9Low47 Ų4785.2 Ų85.225%0.25139%0.393SS..Hα-helixtrans-70-22.3175.5-87.7-24.8000113.6Y935 L939 K943 L1332 T1339Y935-D1335 VanDerWaalsContact CE1-OD2 3.32Å; Y935-D1335 WeakPolarHBondContact CE1-OD2 3.41Å; Y935-D1335 PolarHBondContact OH-OD2 2.92Å; Y935-D1335 VanDerWaalsContact OH-OD2 3.08Å; L939-D1335 HydrophobicContact CD1-CB 3.95Å; L939-D1335 HydrophobicContact CD2-CB 3.81Å; K943-D1335 WeakPolarHBondContact CE-O 3.5Å; K943-D1335 PolarHBondContact NZ-O 2.9Å; L1332-D1335 PolarHBondContact O-N 3.44Å; D1335-T1339 PolarHBondContact O-OG1 3.24Å
1336I79.6Confident68.4Low1 Ų176.5 Ų76.51%0.00536%0.355CS..Hα-helixtrans-67.2-46.5170.5-68.9164.5000109.9L939 L942 I946 A1010 L1332 F1333 E1334 L1341L939-I1336 HydrophobicContact CD1-CB 4.49Å; L939-I1336 HydrophobicContact CD1-CD1 4.48Å; L939-I1336 HydrophobicContact CD1-CG1 3.49Å; L939-I1336 VanDerWaalsContact CD1-CG1 3.49Å; L942-I1336 HydrophobicContact CB-CD1 4.09Å; L942-I1336 HydrophobicContact CD1-CD1 3.72Å; I946-I1336 HydrophobicContact CD1-CG2 3.91Å; A1010-I1336 HydrophobicContact CB-CD1 3.76Å; L1332-I1336 HydrophobicContact CB-CD1 4.28Å; L1332-I1336 WeakPolarHBondContact O-CD1 3.38Å; L1332-I1336 WeakPolarHBondContact O-CG1 3.34Å; L1332-I1336 PolarHBondContact O-N 2.69Å; F1333-I1336 PolarHBondContact O-N 3.15Å; E1334-I1336 VanDerWaalsContact C-N 3.3Å; E1334-I1336 PolarHBondContact O-N 2.97Å; I1336-L1341 HydrophobicContact CG2-CD2 4.45Å; I1336-L1341 VanDerWaalsContact O-CB 3.32Å; I1336-L1341 WeakPolarHBondContact O-CB 3.07Å
1337F75.2Confident70.4Confident15 Ų1567 Ų677%0.06632%0.315CS..Hα-helixtrans-96.8-19.9-169.6-59-47.7000115.5M1007 F1333 E1334 R1342 L1347 M1413 A1414M1007-F1337 HydrophobicContact CE-CZ 4.41Å; M1007-F1337 HydrophobicContact SD-CZ 4.19Å; F1333-F1337 HydrophobicContact CB-CD2 4.07Å; F1333-F1337 HydrophobicContact CB-CE2 3.91Å; F1333-F1337 HydrophobicContact CD2-CD2 4.34Å; F1333-F1337 WeakPolarHBondContact O-CD2 3.45Å; F1333-F1337 WeakPolarHBondContact O-CG 3.09Å; F1333-F1337 PolarHBondContact O-N 2.8Å; E1334-F1337 PolarHBondContact O-N 3.09Å; F1337-R1342 WeakPolarHBondContact O-CG 3.46Å; F1337-L1347 HydrophobicContact CD1-CD1 4.32Å; F1337-L1347 HydrophobicContact CE1-CD1 3.48Å; F1337-L1347 VanDerWaalsContact CE1-CD1 3.48Å; F1337-L1347 HydrophobicContact CZ-CD1 4.25Å; F1337-M1413 VanDerWaalsContact CD2-O 3.26Å; F1337-M1413 WeakPolarHBondContact CD2-O 3.49Å; F1337-M1413 HydrophobicContact CE2-CE 4.1Å; F1337-M1413 HydrophobicContact CE2-CG 4.16Å; F1337-M1413 WeakPolarHBondContact CE2-O 3.32Å; F1337-M1413 HydrophobicContact CZ-CE 4.43Å; F1337-A1414 HydrophobicContact CE2-CB 4.19Å; F1337-A1414 HydrophobicContact CZ-CB 4.04Å
1338D65.6Low71.9Confident104 Ų10468.6 Ų68.656%0.55634%0.337SS*.Hα-helixtrans-80.2-25.1175.6-95.83.2000114.3E1334 R1342E1334-D1338 WeakPolarHBondContact O-CB 3.48Å; E1334-D1338 PolarHBondContact O-N 3.29Å; D1338-R1342 IonicContact OD1-CZ 3.28Å; D1338-R1342 IonicContact OD1-NE 2.94Å; D1338-R1342 IonicContact OD1-NH2 2.65Å; D1338-R1342 PolarHBondContact OD1-NH2 2.76Å
1339T52.1Low72.9Confident69 Ų6968 Ų6842%0.42333%0.33SS..SBendtrans-111.8110.5-176.254.80000113.2K943 D1335 L1341K943-T1339 PolarHBondContact NZ-O 3.15Å; K943-T1339 VanDerWaalsContact NZ-O 3.08Å; K943-T1339 PolarHBondContact NZ-OG1 2.92Å; D1335-T1339 PolarHBondContact O-OG1 3.24Å; T1339-L1341 PolarHBondContact O-N 2.85Å
1340E50.4Low73.6Confident164 Ų16464 Ų6477%0.76632%0.319SS*.SBendtrans62.4-34.9178.2-56.8-169.4136.500116.9R1342 K1343E1340-R1342 VanDerWaalsContact C-N 3.28Å; E1340-R1342 PolarHBondContact O-N 2.9Å; E1340-K1343 PolarHBondContact O-N 3.03Å
1341L50.8Low73.7Confident26 Ų2665.7 Ų65.714%0.13633%0.325CS..G310 helixtrans-72.9-6.1-173.1-97.2108000116.2K943 I946 I1336 T1339 K1343 S1344K943-L1341 HydrophobicContact CD-CD1 3.57Å; K943-L1341 HydrophobicContact CG-CD1 3.79Å; I946-L1341 HydrophobicContact CB-CD2 4.37Å; I946-L1341 HydrophobicContact CD1-CD2 3.62Å; I946-L1341 HydrophobicContact CG2-CD2 3.85Å; I1336-L1341 HydrophobicContact CG2-CD2 4.45Å; I1336-L1341 VanDerWaalsContact O-CB 3.32Å; I1336-L1341 WeakPolarHBondContact O-CB 3.07Å; T1339-L1341 PolarHBondContact O-N 2.85Å; L1341-K1343 PolarHBondContact O-N 2.85Å; L1341-S1344 WeakPolarHBondContact O-CB 3.27Å; L1341-S1344 PolarHBondContact O-N 3.28Å; L1341-S1344 PolarHBondContact O-OG 2.91Å
1342R49.9Very low73.7Confident190 Ų19063.9 Ų63.972%0.71732%0.318SS*.G310 helixtrans-58.1-10.6163.7-58.9-163.1-177.4-172.11.8113F1337 D1338 E1340F1337-R1342 WeakPolarHBondContact O-CG 3.46Å; D1338-R1342 IonicContact OD1-CZ 3.28Å; D1338-R1342 IonicContact OD1-NE 2.94Å; D1338-R1342 IonicContact OD1-NH2 2.65Å; D1338-R1342 PolarHBondContact OD1-NH2 2.76Å; E1340-R1342 VanDerWaalsContact C-N 3.28Å; E1340-R1342 PolarHBondContact O-N 2.9Å
1343K50.1Low73.8Confident186 Ų18664 Ų6481%0.80932%0.319SS*.G310 helixtrans-97.7-2.3172.5-63.6-179.6179175.70114.7E1340 L1341 K1345E1340-K1343 PolarHBondContact O-N 3.03Å; L1341-K1343 PolarHBondContact O-N 2.85Å; K1343-K1345 PolarHBondContact O-N 2.51Å
1344S59.4Low74Confident20 Ų2064.6 Ų64.614%0.1432%0.321CS..  trans-64117.8-179.959.10000110.2E950 L1341 I1346E950-S1344 WeakPolarHBondContact OE1-CA 3.41Å; E950-S1344 WeakPolarHBondContact OE1-CB 3.44Å; L1341-S1344 WeakPolarHBondContact O-CB 3.27Å; L1341-S1344 PolarHBondContact O-N 3.28Å; L1341-S1344 PolarHBondContact O-OG 2.91Å; S1344-I1346 PolarHBondContact O-N 2.83Å
1345K68.7Low74.1Confident190 Ų19061.7 Ų61.783%0.82631%0.308SS*.THydrogen-bonded Turntrans-73.6-16.6-169.5-70.3-173.1177.5-176.20112.7E950 K1343E950-K1345 PolarHBondContact OE1-N 3.36Å; E950-K1345 VanDerWaalsContact OE1-N 3.16Å; K1343-K1345 PolarHBondContact O-N 2.51Å
1346I84.8Confident74.4Confident3 Ų359.5 Ų59.52%0.01530%0.296CS..THydrogen-bonded Turntrans-80.9-43.8-176.8-167.4173.7000112.9L949 E950 F953 S1344 G1348 N1349 F1352L949-I1346 HydrophobicContact CB-CD1 4.16Å; L949-I1346 WeakPolarHBondContact O-CD1 3.43Å; E950-I1346 HydrophobicContact CG-CB 4Å; E950-I1346 HydrophobicContact CG-CG2 3.51Å; F953-I1346 HydrophobicContact CB-CD1 3.5Å; F953-I1346 VanDerWaalsContact CB-CD1 3.5Å; F953-I1346 HydrophobicContact CB-CG1 4.07Å; F953-I1346 HydrophobicContact CD1-CD1 4.43Å; F953-I1346 HydrophobicContact CD1-CG1 4.06Å; F953-I1346 HydrophobicContact CD2-CD1 4.41Å; F953-I1346 HydrophobicContact CD2-CG1 4.41Å; F953-I1346 HydrophobicContact CG-CD1 3.88Å; F953-I1346 HydrophobicContact CG-CG1 3.92Å; S1344-I1346 PolarHBondContact O-N 2.83Å; I1346-G1348 PolarHBondContact O-N 2.9Å; I1346-N1349 WeakPolarHBondContact O-CB 3.36Å; I1346-N1349 PolarHBondContact O-N 2.9Å; I1346-F1352 HydrophobicContact CD1-CD2 3.41Å; I1346-F1352 VanDerWaalsContact CD1-CD2 3.41Å; I1346-F1352 HydrophobicContact CD1-CE2 3.6Å; I1346-F1352 HydrophobicContact CD1-CG 3.96Å; I1346-F1352 HydrophobicContact CD1-CZ 4.31Å; I1346-F1352 HydrophobicContact CG1-CB 3.75Å; I1346-F1352 HydrophobicContact CG1-CD1 3.99Å; I1346-F1352 HydrophobicContact CG1-CD2 3.46Å; I1346-F1352 VanDerWaalsContact CG1-CD2 3.46Å; I1346-F1352 HydrophobicContact CG1-CE1 4.48Å; I1346-F1352 HydrophobicContact CG1-CE2 3.99Å; I1346-F1352 HydrophobicContact CG1-CG 3.43Å; I1346-F1352 VanDerWaalsContact CG1-CG 3.43Å; I1346-F1352 HydrophobicContact CG1-CZ 4.46Å
1347L81.3Confident75.1Confident10 Ų1059.5 Ų59.55%0.05230%0.296CS..THydrogen-bonded Turntrans-75.2-28.1-171-60.3-176.2000113M1007 F1337 N1349 F1352 W1353M1007-L1347 HydrophobicContact CE-CD1 4.22Å; M1007-L1347 HydrophobicContact CE-CD2 3.64Å; F1337-L1347 HydrophobicContact CD1-CD1 4.32Å; F1337-L1347 HydrophobicContact CE1-CD1 3.48Å; F1337-L1347 VanDerWaalsContact CE1-CD1 3.48Å; F1337-L1347 HydrophobicContact CZ-CD1 4.25Å; L1347-N1349 PolarHBondContact O-N 3.03Å; L1347-F1352 HydrophobicContact CD2-CD1 4.22Å; L1347-F1352 HydrophobicContact CD2-CE1 3.55Å; L1347-F1352 HydrophobicContact CD2-CZ 4.14Å; L1347-W1353 HydrophobicContact CD2-CZ2 4.48Å; L1347-W1353 PolarHBondContact O-NE1 2.94Å
1348G79.5Confident75.8Confident65 Ų6558.9 Ų58.967%0.6729%0.294SS*.THydrogen-bonded Turntrans-75.4-7.1168.200000114.2I1346I1346-G1348 PolarHBondContact O-N 2.9Å
1349N87.4Confident76.7Confident62 Ų6254.5 Ų54.533%0.33227%0.27SS..  trans-93.7112.8-176.7-168.4-25.3000111.2F953 I1346 L1347 Q1351 F1352F953-N1349 HydrophobicContact CE1-CB 4.49Å; F953-N1349 WeakPolarHBondContact CE1-ND2 3.39Å; I1346-N1349 WeakPolarHBondContact O-CB 3.36Å; I1346-N1349 PolarHBondContact O-N 2.9Å; L1347-N1349 PolarHBondContact O-N 3.03Å; N1349-Q1351 PolarHBondContact O-N 2.91Å; N1349-Q1351 VanDerWaalsContact O-N 3.11Å; N1349-Q1351 WeakPolarHBondContact OD1-CB 3.37Å; N1349-Q1351 PolarHBondContact OD1-N 3.04Å; N1349-F1352 WeakPolarHBondContact O-CB 3.42Å; N1349-F1352 PolarHBondContact O-N 3.34Å; N1349-F1352 VanDerWaalsContact O-N 3.13Å
1350L89.6Confident78.6Confident51 Ų5151.8 Ų51.827%0.26725%0.253SS..Hα-helixtrans-61.8-18.8178.2-58173.7000113.7E1354 M1411 V1416 K1424L1350-E1354 PolarHBondContact O-N 3Å; L1350-M1411 HydrophobicContact CD2-CE 3.87Å; L1350-V1416 HydrophobicContact CD2-CG1 3.99Å; L1350-K1424 HydrophobicContact CB-CD 4.33Å; L1350-K1424 WeakPolarHBondContact O-CE 3.3Å; L1350-K1424 PolarHBondContact O-NZ 3.04Å
1351Q86.8Confident80.5Confident53 Ų5344 Ų4425%0.24822%0.217CC..Hα-helixtrans-71.8-41.2174.8-171.953.334.500111.7F953 N1349 W1353 E1354 D1355F953-Q1351 HydrophobicContact CZ-CB 4.37Å; N1349-Q1351 PolarHBondContact O-N 2.91Å; N1349-Q1351 VanDerWaalsContact O-N 3.11Å; N1349-Q1351 WeakPolarHBondContact OD1-CB 3.37Å; N1349-Q1351 PolarHBondContact OD1-N 3.04Å; Q1351-W1353 PolarHBondContact O-N 3.04Å; Q1351-E1354 PolarHBondContact O-N 3.28Å; Q1351-D1355 WeakPolarHBondContact CG-OD2 3.35Å; Q1351-D1355 VanDerWaalsContact NE2-CG 3.34Å; Q1351-D1355 PolarHBondContact NE2-OD1 3.01Å; Q1351-D1355 PolarHBondContact NE2-OD2 3.09Å; Q1351-D1355 PolarHBondContact O-N 3.45Å
1352F89.8Confident82Confident1 Ų143.2 Ų43.20%0.00422%0.215CC..Hα-helixtrans-56.6-39.2174.5161.5-104.3000112.1F953 F1000 A1003 I1346 L1347 N1349 D1355 S1356F953-F1352 HydrophobicContact CD2-CB 4.08Å; F953-F1352 HydrophobicContact CD2-CD2 4.34Å; F953-F1352 HydrophobicContact CE2-CB 3.71Å; F953-F1352 HydrophobicContact CZ-CB 4.06Å; F1000-F1352 HydrophobicContact CD1-CD2 4.01Å; F1000-F1352 AromaticContact CD1-CE2 3.91Å; F1000-F1352 HydrophobicContact CD1-CE2 3.91Å; F1000-F1352 HydrophobicContact CE1-CD2 4.42Å; A1003-F1352 HydrophobicContact CB-CE2 4.24Å; A1003-F1352 HydrophobicContact CB-CZ 3.79Å; I1346-F1352 HydrophobicContact CD1-CD2 3.41Å; I1346-F1352 VanDerWaalsContact CD1-CD2 3.41Å; I1346-F1352 HydrophobicContact CD1-CE2 3.6Å; I1346-F1352 HydrophobicContact CD1-CG 3.96Å; I1346-F1352 HydrophobicContact CD1-CZ 4.31Å; I1346-F1352 HydrophobicContact CG1-CB 3.75Å; I1346-F1352 HydrophobicContact CG1-CD1 3.99Å; I1346-F1352 HydrophobicContact CG1-CD2 3.46Å; I1346-F1352 VanDerWaalsContact CG1-CD2 3.46Å; I1346-F1352 HydrophobicContact CG1-CE1 4.48Å; I1346-F1352 HydrophobicContact CG1-CE2 3.99Å; I1346-F1352 HydrophobicContact CG1-CG 3.43Å; I1346-F1352 VanDerWaalsContact CG1-CG 3.43Å; I1346-F1352 HydrophobicContact CG1-CZ 4.46Å; L1347-F1352 HydrophobicContact CD2-CD1 4.22Å; L1347-F1352 HydrophobicContact CD2-CE1 3.55Å; L1347-F1352 HydrophobicContact CD2-CZ 4.14Å; N1349-F1352 WeakPolarHBondContact O-CB 3.42Å; N1349-F1352 PolarHBondContact O-N 3.34Å; N1349-F1352 VanDerWaalsContact O-N 3.13Å; F1352-D1355 PolarHBondContact O-N 2.99Å; F1352-S1356 WeakPolarHBondContact CD2-OG 3.44Å; F1352-S1356 WeakPolarHBondContact CE2-OG 3.47Å; F1352-S1356 WeakPolarHBondContact CZ-OG 3.38Å; F1352-S1356 WeakPolarHBondContact O-CB 3.43Å; F1352-S1356 PolarHBondContact O-N 3.32Å; F1352-S1356 PolarHBondContact O-OG 2.68Å
1353W92.1Very high83.6Confident3 Ų336.6 Ų36.61%0.01119%0.192CC..Hα-helixtrans-68.3-33.4177.4-67.1101.7000113.1M1007 L1347 Q1351 F1357 M1407 F1410 M1411 A1414 V1416M1007-W1353 HydrophobicContact CE-CH2 4.21Å; L1347-W1353 HydrophobicContact CD2-CZ2 4.48Å; L1347-W1353 PolarHBondContact O-NE1 2.94Å; Q1351-W1353 PolarHBondContact O-N 3.04Å; W1353-F1357 VanDerWaalsContact O-CB 3.26Å; W1353-F1357 WeakPolarHBondContact O-CB 3.49Å; W1353-F1357 PolarHBondContact O-N 2.82Å; W1353-M1407 HydrophobicContact CB-SD 4.25Å; W1353-M1407 HydrophobicContact CE3-CG 3.97Å; W1353-M1407 HydrophobicContact CE3-SD 4.39Å; W1353-M1407 HydrophobicContact CZ3-CG 4.47Å; W1353-M1407 VanDerWaalsContact O-SD 3.41Å; W1353-F1410 HydrophobicContact CH2-CB 3.94Å; W1353-F1410 HydrophobicContact CZ3-CB 3.75Å; W1353-M1411 HydrophobicContact CB-CE 4.22Å; W1353-M1411 HydrophobicContact CB-SD 4.34Å; W1353-M1411 HydrophobicContact CD2-CE 4.34Å; W1353-M1411 HydrophobicContact CD2-CG 3.56Å; W1353-M1411 HydrophobicContact CD2-SD 4.21Å; W1353-M1411 HydrophobicContact CE3-CG 3.61Å; W1353-M1411 HydrophobicContact CE3-SD 4.42Å; W1353-M1411 HydrophobicContact CG-CE 3.91Å; W1353-M1411 HydrophobicContact CG-CG 4.12Å; W1353-M1411 HydrophobicContact CG-SD 4.18Å; W1353-M1411 HydrophobicContact CH2-CG 4.07Å; W1353-M1411 HydrophobicContact CZ2-CG 4.04Å; W1353-M1411 HydrophobicContact CZ3-CG 3.87Å; W1353-A1414 HydrophobicContact CH2-CB 4.33Å; W1353-A1414 HydrophobicContact CZ2-CB 3.98Å; W1353-V1416 HydrophobicContact CZ2-CG2 4.2Å
1354E91.4Very high85.3Confident26 Ų2628.6 Ų28.612%0.12116%0.157CC..Hα-helixtrans-71.8-46.9170.3174.4160.6-174.500111.7L1350 Q1351 S1356 F1357 L1358 K1424 L1428 K1431L1350-E1354 PolarHBondContact O-N 3Å; Q1351-E1354 PolarHBondContact O-N 3.28Å; E1354-S1356 VanDerWaalsContact C-N 3.27Å; E1354-S1356 PolarHBondContact O-N 2.9Å; E1354-F1357 WeakPolarHBondContact O-CB 3.48Å; E1354-F1357 PolarHBondContact O-N 2.86Å; E1354-F1357 VanDerWaalsContact O-N 3.13Å; E1354-L1358 HydrophobicContact CG-CD1 3.65Å; E1354-L1358 HydrophobicContact CG-CG 4.01Å; E1354-L1358 WeakPolarHBondContact O-CB 3.25Å; E1354-L1358 WeakPolarHBondContact O-CG 3.31Å; E1354-L1358 PolarHBondContact O-N 3.48Å; E1354-K1424 VanDerWaalsContact CB-CE 3.49Å; E1354-K1424 VanDerWaalsContact CB-NZ 3.25Å; E1354-K1424 WeakPolarHBondContact OE2-CE 3.48Å; E1354-K1424 IonicContact OE2-NZ 3.13Å; E1354-K1424 PolarHBondContact OE2-NZ 3.45Å; E1354-L1428 HydrophobicContact CG-CD2 4.03Å; E1354-K1431 IonicContact OE1-NZ 2.73Å; E1354-K1431 PolarHBondContact OE1-NZ 2.85Å
1355D87.7Confident86.6Confident10 Ų1027.6 Ų27.65%0.05315%0.151CC..Hα-helixtrans-61.5-37.8179.1-63.1-33.4000111.5F1000 Q1351 F1352 D1359F1000-D1355 HydrophobicContact CD2-CB 3.85Å; F1000-D1355 HydrophobicContact CE2-CB 4.14Å; Q1351-D1355 WeakPolarHBondContact CG-OD2 3.35Å; Q1351-D1355 VanDerWaalsContact NE2-CG 3.34Å; Q1351-D1355 PolarHBondContact NE2-OD1 3.01Å; Q1351-D1355 PolarHBondContact NE2-OD2 3.09Å; Q1351-D1355 PolarHBondContact O-N 3.45Å; F1352-D1355 PolarHBondContact O-N 2.99Å; D1355-D1359 WeakPolarHBondContact O-CB 3.5Å; D1355-D1359 PolarHBondContact O-N 3.07Å
1356S90.2Very high87.1Confident1 Ų121.3 Ų21.31%0.00713%0.126CC..Hα-helixtrans-65.2-43.9172.3-56.20000112.9F1352 E1354 T1360F1352-S1356 WeakPolarHBondContact CD2-OG 3.44Å; F1352-S1356 WeakPolarHBondContact CE2-OG 3.47Å; F1352-S1356 WeakPolarHBondContact CZ-OG 3.38Å; F1352-S1356 WeakPolarHBondContact O-CB 3.43Å; F1352-S1356 PolarHBondContact O-N 3.32Å; F1352-S1356 PolarHBondContact O-OG 2.68Å; E1354-S1356 VanDerWaalsContact C-N 3.27Å; E1354-S1356 PolarHBondContact O-N 2.9Å; S1356-T1360 VanDerWaalsContact O-CB 3.26Å; S1356-T1360 WeakPolarHBondContact O-CB 3.37Å; S1356-T1360 PolarHBondContact O-N 2.85Å; S1356-T1360 PolarHBondContact O-OG1 2.97Å
1357F93.5Very high86.7Confident0 Ų022.1 Ų22.10%013%0.13CC..Hα-helixtrans-60.6-48.5174.9173-102000111.1L493 W1353 E1354 T1360 V1361 L1400 I1403 M1404 M1407 L1428L493-F1357 HydrophobicContact CD2-CE1 3.91Å; W1353-F1357 VanDerWaalsContact O-CB 3.26Å; W1353-F1357 WeakPolarHBondContact O-CB 3.49Å; W1353-F1357 PolarHBondContact O-N 2.82Å; E1354-F1357 WeakPolarHBondContact O-CB 3.48Å; E1354-F1357 PolarHBondContact O-N 2.86Å; E1354-F1357 VanDerWaalsContact O-N 3.13Å; F1357-T1360 PolarHBondContact O-N 3.3Å; F1357-V1361 HydrophobicContact CD1-CG2 4.36Å; F1357-V1361 HydrophobicContact CD2-CG2 4.19Å; F1357-V1361 HydrophobicContact CE1-CG2 3.96Å; F1357-V1361 HydrophobicContact CE2-CG2 3.75Å; F1357-V1361 HydrophobicContact CG-CG2 4.46Å; F1357-V1361 HydrophobicContact CZ-CG2 3.62Å; F1357-V1361 WeakPolarHBondContact O-CB 3.29Å; F1357-V1361 VanDerWaalsContact O-CG2 3.27Å; F1357-V1361 WeakPolarHBondContact O-CG2 3.27Å; F1357-V1361 PolarHBondContact O-N 3.32Å; F1357-L1400 HydrophobicContact CZ-CD2 4.12Å; F1357-I1403 HydrophobicContact CD2-CB 4.4Å; F1357-I1403 HydrophobicContact CD2-CG2 3.65Å; F1357-I1403 HydrophobicContact CE2-CB 4.06Å; F1357-I1403 HydrophobicContact CE2-CG2 3.81Å; F1357-M1404 HydrophobicContact CD2-CG 4.27Å; F1357-M1404 HydrophobicContact CE1-CE 4.13Å; F1357-M1404 HydrophobicContact CE2-CB 4.49Å; F1357-M1404 HydrophobicContact CE2-CE 4.16Å; F1357-M1404 HydrophobicContact CE2-CG 3.47Å; F1357-M1404 VanDerWaalsContact CE2-CG 3.47Å; F1357-M1404 HydrophobicContact CZ-CE 3.5Å; F1357-M1404 HydrophobicContact CZ-CG 3.84Å; F1357-M1407 HydrophobicContact CB-CE 4.15Å; F1357-M1407 HydrophobicContact CB-SD 3.85Å; F1357-M1407 HydrophobicContact CD2-CE 3.99Å; F1357-M1407 HydrophobicContact CD2-SD 4.45Å; F1357-M1407 HydrophobicContact CG-CE 4.17Å; F1357-M1407 HydrophobicContact CG-SD 4.47Å; F1357-L1428 HydrophobicContact CD1-CD1 4.3Å; F1357-L1428 HydrophobicContact CD1-CD2 4.2Å; F1357-L1428 HydrophobicContact CE1-CD2 4.46Å; F1357-L1428 HydrophobicContact CG-CD1 4.5Å
1358L90Very high86.8Confident2 Ų222.6 Ų22.61%0.0113%0.132CC..Hα-helixtrans-66.6-39.8-177.4-66.1178.7000112.8R491 L493 A502 Q504 E1354 A1362R491-L1358 HydrophobicContact CB-CB 4.31Å; R491-L1358 HydrophobicContact CG-CB 4.03Å; L493-L1358 HydrophobicContact CD2-CD2 3.59Å; L493-L1358 HydrophobicContact CG-CD2 4.27Å; A502-L1358 HydrophobicContact CB-CD1 3.55Å; A502-L1358 HydrophobicContact CB-CD2 3.35Å; A502-L1358 HydrophobicContact CB-CG 4.06Å; Q504-L1358 HydrophobicContact CG-CD1 4.28Å; E1354-L1358 HydrophobicContact CG-CD1 3.65Å; E1354-L1358 HydrophobicContact CG-CG 4.01Å; E1354-L1358 WeakPolarHBondContact O-CB 3.25Å; E1354-L1358 WeakPolarHBondContact O-CG 3.31Å; E1354-L1358 PolarHBondContact O-N 3.48Å; L1358-A1362 WeakPolarHBondContact O-CB 3.42Å; L1358-A1362 PolarHBondContact O-N 2.8Å; L1358-A1362 VanDerWaalsContact O-N 3.09Å
1359D86.1Confident86.8Confident13 Ų1319.5 Ų19.57%0.0710%0.101CC..Hα-helixtrans-69-38.7173.6-77.6-3000111.7R491 Q504 G999 F1000 A1001 D1355 A1362 Q1363R491-D1359 IonicContact CZ-OD1 3.89Å; R491-D1359 IonicContact NE-OD1 2.7Å; R491-D1359 PolarHBondContact NE-OD1 2.72Å; R491-D1359 IonicContact NH2-OD1 2.8Å; R491-D1359 PolarHBondContact NH2-OD1 3.36Å; Q504-D1359 PolarHBondContact NE2-OD1 2.96Å; G999-D1359 VanDerWaalsContact CA-OD2 3.28Å; G999-D1359 WeakPolarHBondContact CA-OD2 3.14Å; F1000-D1359 HydrophobicContact CB-CB 4.5Å; F1000-D1359 WeakPolarHBondContact CD2-OD2 3.27Å; F1000-D1359 PolarHBondContact N-OD2 3.05Å; A1001-D1359 HydrophobicContact CB-CB 4.31Å; D1355-D1359 WeakPolarHBondContact O-CB 3.5Å; D1355-D1359 PolarHBondContact O-N 3.07Å; D1359-A1362 PolarHBondContact O-N 3.48Å; D1359-Q1363 WeakPolarHBondContact O-CB 3.49Å; D1359-Q1363 PolarHBondContact O-N 3.5Å
1360T90Very high86.6Confident11 Ų1117.8 Ų17.87%0.0679%0.091CC..Hα-helixtrans-68.3-41.8177.7-53.90000111.8A1001 F1004 S1356 F1357 Q1363 E1364 I1403A1001-T1360 WeakPolarHBondContact CA-OG1 3.41Å; F1004-T1360 HydrophobicContact CB-CG2 4.07Å; F1004-T1360 HydrophobicContact CD1-CG2 3.94Å; F1004-T1360 HydrophobicContact CD2-CG2 4.31Å; F1004-T1360 WeakPolarHBondContact CD2-OG1 3.29Å; F1004-T1360 HydrophobicContact CE1-CG2 4.48Å; F1004-T1360 HydrophobicContact CG-CG2 3.85Å; F1004-T1360 WeakPolarHBondContact CG-OG1 3.37Å; S1356-T1360 VanDerWaalsContact O-CB 3.26Å; S1356-T1360 WeakPolarHBondContact O-CB 3.37Å; S1356-T1360 PolarHBondContact O-N 2.85Å; S1356-T1360 PolarHBondContact O-OG1 2.97Å; F1357-T1360 PolarHBondContact O-N 3.3Å; T1360-Q1363 PolarHBondContact O-N 2.83Å; T1360-E1364 PolarHBondContact O-N 2.87Å; T1360-I1403 HydrophobicContact CG2-CD1 4.36Å; T1360-I1403 HydrophobicContact CG2-CG2 4.07Å
1361V90.4Very high86.1Confident0 Ų015.7 Ų15.70%08%0.08CC..Hα-helixtrans-58.6-50172.9167.70000110L493 F1357 Q1363 E1364 R1365 L1399 L1400 I1403L493-V1361 HydrophobicContact CD2-CG1 4.22Å; F1357-V1361 HydrophobicContact CD1-CG2 4.36Å; F1357-V1361 HydrophobicContact CD2-CG2 4.19Å; F1357-V1361 HydrophobicContact CE1-CG2 3.96Å; F1357-V1361 HydrophobicContact CE2-CG2 3.75Å; F1357-V1361 HydrophobicContact CG-CG2 4.46Å; F1357-V1361 HydrophobicContact CZ-CG2 3.62Å; F1357-V1361 WeakPolarHBondContact O-CB 3.29Å; F1357-V1361 VanDerWaalsContact O-CG2 3.27Å; F1357-V1361 WeakPolarHBondContact O-CG2 3.27Å; F1357-V1361 PolarHBondContact O-N 3.32Å; V1361-Q1363 VanDerWaalsContact C-N 3.33Å; V1361-Q1363 PolarHBondContact O-N 3Å; V1361-E1364 PolarHBondContact O-N 3.29Å; V1361-R1365 HydrophobicContact CG1-CG 4.26Å; V1361-R1365 WeakPolarHBondContact O-CB 3.29Å; V1361-R1365 WeakPolarHBondContact O-CG 3.31Å; V1361-R1365 PolarHBondContact O-N 3.33Å; V1361-L1399 HydrophobicContact CG1-CD2 4.05Å; V1361-L1399 HydrophobicContact CG2-CD2 4.37Å; V1361-L1400 HydrophobicContact CG1-CD2 3.99Å; V1361-L1400 HydrophobicContact CG2-CD2 4.04Å; V1361-I1403 HydrophobicContact CB-CD1 4.41Å; V1361-I1403 HydrophobicContact CG2-CD1 3.78Å; V1361-I1403 HydrophobicContact CG2-CG2 4.35Å
1362A83.8Confident85.9Confident11 Ų1113.8 Ų13.89%0.0917%0.071CC..Hα-helixtrans-63-36.9178.800000112.9L1358 D1359 D1366L1358-A1362 WeakPolarHBondContact O-CB 3.42Å; L1358-A1362 PolarHBondContact O-N 2.8Å; L1358-A1362 VanDerWaalsContact O-N 3.09Å; D1359-A1362 PolarHBondContact O-N 3.48Å; A1362-D1366 WeakPolarHBondContact O-CB 3.41Å; A1362-D1366 PolarHBondContact O-N 2.96Å
1363Q83.5Confident85.4Confident51 Ų5118.7 Ų18.724%0.2389%0.089CC..Hα-helixtrans-65.5-50.2174.7177.5166.584.900111.9A1001 D1359 T1360 V1361 R1365 D1366 I1367A1001-Q1363 HydrophobicContact CB-CB 4.08Å; D1359-Q1363 WeakPolarHBondContact O-CB 3.49Å; D1359-Q1363 PolarHBondContact O-N 3.5Å; T1360-Q1363 PolarHBondContact O-N 2.83Å; V1361-Q1363 VanDerWaalsContact C-N 3.33Å; V1361-Q1363 PolarHBondContact O-N 3Å; Q1363-R1365 VanDerWaalsContact C-N 3.3Å; Q1363-R1365 PolarHBondContact O-N 3.49Å; Q1363-D1366 PolarHBondContact O-N 3.5Å; Q1363-I1367 HydrophobicContact CG-CD1 3.71Å; Q1363-I1367 HydrophobicContact CG-CG1 4.46Å; Q1363-I1367 WeakPolarHBondContact O-CD1 3.24Å; Q1363-I1367 VanDerWaalsContact O-CG1 3.22Å; Q1363-I1367 WeakPolarHBondContact O-CG1 3.43Å; Q1363-I1367 PolarHBondContact O-N 3.07Å
1364E85.5Confident85Confident17 Ų1719.1 Ų19.18%0.0799%0.092CC..Hα-helixtrans-59.2-42176.1-78.9-71.6113.800111T1360 V1361 D1366 I1367 L1368 L1399 I1403 Q1463 S1464T1360-E1364 PolarHBondContact O-N 2.87Å; V1361-E1364 PolarHBondContact O-N 3.29Å; E1364-D1366 PolarHBondContact O-N 2.94Å; E1364-I1367 PolarHBondContact O-N 2.95Å; E1364-L1368 HydrophobicContact CB-CD1 4.33Å; E1364-L1368 WeakPolarHBondContact O-CB 3.27Å; E1364-L1368 VanDerWaalsContact O-CD1 3.3Å; E1364-L1368 WeakPolarHBondContact O-CD1 3.34Å; E1364-L1368 WeakPolarHBondContact O-CG 3.22Å; E1364-L1368 PolarHBondContact O-N 2.84Å; E1364-L1399 HydrophobicContact CB-CD1 4.17Å; E1364-L1399 HydrophobicContact CB-CG 4.47Å; E1364-I1403 HydrophobicContact CB-CD1 4.22Å; E1364-I1403 HydrophobicContact CG-CD1 4.01Å; E1364-Q1463 PolarHBondContact OE2-N 2.85Å; E1364-S1464 VanDerWaalsContact CD-OG 3.26Å; E1364-S1464 WeakPolarHBondContact OE1-CB 3.39Å; E1364-S1464 PolarHBondContact OE1-OG 3.01Å; E1364-S1464 WeakPolarHBondContact OE2-CB 3.21Å; E1364-S1464 PolarHBondContact OE2-N 2.72Å; E1364-S1464 PolarHBondContact OE2-OG 3.47Å
1365R86.7Confident84.4Confident0 Ų021.1 Ų21.10%010%0.1CC..Hα-helixtrans-62-38.9177.4-72.4176.770.273.518.8113.6T492 L493 V1361 Q1363 G1369 M1370 D1371 E1396 L1399T492-R1365 WeakPolarHBondContact O-CD 3.42Å; L493-R1365 PolarHBondContact O-NH1 3.1Å; V1361-R1365 HydrophobicContact CG1-CG 4.26Å; V1361-R1365 WeakPolarHBondContact O-CB 3.29Å; V1361-R1365 WeakPolarHBondContact O-CG 3.31Å; V1361-R1365 PolarHBondContact O-N 3.33Å; Q1363-R1365 VanDerWaalsContact C-N 3.3Å; Q1363-R1365 PolarHBondContact O-N 3.49Å; R1365-G1369 CarbonylContact O-C 3.59Å; R1365-G1369 WeakPolarHBondContact O-CA 3.11Å; R1365-G1369 PolarHBondContact O-N 2.88Å; R1365-M1370 HydrophobicContact CB-CB 4.26Å; R1365-M1370 HydrophobicContact CG-CB 4.49Å; R1365-M1370 HydrophobicContact CG-SD 4.1Å; R1365-M1370 PolarHBondContact O-N 3.4Å; R1365-D1371 IonicContact CZ-OD1 2.81Å; R1365-D1371 VanDerWaalsContact CZ-OD1 3.22Å; R1365-D1371 IonicContact NE-OD1 2.7Å; R1365-D1371 PolarHBondContact NE-OD1 2.91Å; R1365-D1371 IonicContact NE-OD2 2.79Å; R1365-D1371 IonicContact NH2-OD1 3.19Å; R1365-D1371 PolarHBondContact NH2-OD1 2.86Å; R1365-E1396 IonicContact CZ-OE1 2.67Å; R1365-E1396 IonicContact NH1-OE1 3Å; R1365-E1396 PolarHBondContact NH1-OE1 3.31Å; R1365-E1396 IonicContact NH2-OE1 3.24Å; R1365-E1396 PolarHBondContact NH2-OE1 3.02Å; R1365-E1396 VanDerWaalsContact NH2-OE1 3.15Å; R1365-L1399 HydrophobicContact CG-CD1 3.94Å; R1365-L1399 HydrophobicContact CG-CD2 4.36Å
1366D78.3Confident84.1Confident58 Ų5823.7 Ų23.731%0.3111%0.112SC..Hα-helixtrans-71.1-37.5175.4-169.627.1000111.4A1362 Q1363 E1364 G1369A1362-D1366 WeakPolarHBondContact O-CB 3.41Å; A1362-D1366 PolarHBondContact O-N 2.96Å; Q1363-D1366 PolarHBondContact O-N 3.5Å; E1364-D1366 PolarHBondContact O-N 2.94Å; D1366-G1369 PolarHBondContact O-N 3.36Å; D1366-G1369 VanDerWaalsContact O-N 3.14Å
1367I77.5Confident83.9Confident20 Ų2024.3 Ų24.310%0.10312%0.116CC..Hα-helixtrans-69-38.3175-59.6164.1000111.4L798 Q1363 E1364 G1369 R1497L798-I1367 HydrophobicContact CD1-CD1 3.93Å; L798-I1367 HydrophobicContact CD1-CG1 3.81Å; L798-I1367 HydrophobicContact CD1-CG2 3.96Å; L798-I1367 HydrophobicContact CD2-CG1 4.11Å; L798-I1367 HydrophobicContact CG-CG1 4.48Å; Q1363-I1367 HydrophobicContact CG-CD1 3.71Å; Q1363-I1367 HydrophobicContact CG-CG1 4.46Å; Q1363-I1367 WeakPolarHBondContact O-CD1 3.24Å; Q1363-I1367 VanDerWaalsContact O-CG1 3.22Å; Q1363-I1367 WeakPolarHBondContact O-CG1 3.43Å; Q1363-I1367 PolarHBondContact O-N 3.07Å; E1364-I1367 PolarHBondContact O-N 2.95Å; I1367-G1369 PolarHBondContact O-N 2.92Å; I1367-R1497 PolarHBondContact O-NH2 3.03Å
1368L83Confident83.5Confident19 Ų1925.3 Ų25.310%0.09912%0.121CC..THydrogen-bonded Turntrans-78.2-8.6172.8-67.7150.7000112.3E1364 M1370 L1399 Q1463 I1467 Y1493E1364-L1368 HydrophobicContact CB-CD1 4.33Å; E1364-L1368 WeakPolarHBondContact O-CB 3.27Å; E1364-L1368 VanDerWaalsContact O-CD1 3.3Å; E1364-L1368 WeakPolarHBondContact O-CD1 3.34Å; E1364-L1368 WeakPolarHBondContact O-CG 3.22Å; E1364-L1368 PolarHBondContact O-N 2.84Å; L1368-M1370 VanDerWaalsContact C-N 3.32Å; L1368-M1370 HydrophobicContact CB-CE 4.05Å; L1368-M1370 HydrophobicContact CB-CG 4.15Å; L1368-M1370 HydrophobicContact CD1-CE 3.99Å; L1368-M1370 PolarHBondContact O-N 3.25Å; L1368-L1399 HydrophobicContact CD1-CD1 3.56Å; L1368-Q1463 HydrophobicContact CD1-CB 3.76Å; L1368-Q1463 HydrophobicContact CD2-CB 4Å; L1368-I1467 HydrophobicContact CD2-CD1 3.82Å; L1368-I1467 HydrophobicContact CD2-CG1 4.41Å; L1368-I1467 HydrophobicContact CG-CD1 4.4Å; L1368-Y1493 PolarHBondContact O-OH 3.29Å
1369G79.4Confident83.2Confident0 Ų029.8 Ų29.80%014%0.144CC..THydrogen-bonded Turntrans72.517.4178.900000115.1R1365 D1366 I1367 D1371 Y1372 R1506R1365-G1369 CarbonylContact O-C 3.59Å; R1365-G1369 WeakPolarHBondContact O-CA 3.11Å; R1365-G1369 PolarHBondContact O-N 2.88Å; D1366-G1369 PolarHBondContact O-N 3.36Å; D1366-G1369 VanDerWaalsContact O-N 3.14Å; I1367-G1369 PolarHBondContact O-N 2.92Å; G1369-D1371 VanDerWaalsContact C-N 3.3Å; G1369-D1371 PolarHBondContact O-N 3.24Å; G1369-Y1372 PolarHBondContact O-N 3.09Å; G1369-R1506 PolarHBondContact O-NH2 3.37Å
1370M84.2Confident83Confident27 Ų2731.2 Ų31.213%0.13315%0.15CC..THydrogen-bonded Turntrans-65.8-29.9178.2-58.7-178.9-177.600112.6L495 R1365 L1368 L1377 E1396 L1399L495-M1370 WeakPolarHBondContact CD1-O 3.31Å; R1365-M1370 HydrophobicContact CB-CB 4.26Å; R1365-M1370 HydrophobicContact CG-CB 4.49Å; R1365-M1370 HydrophobicContact CG-SD 4.1Å; R1365-M1370 PolarHBondContact O-N 3.4Å; L1368-M1370 VanDerWaalsContact C-N 3.32Å; L1368-M1370 HydrophobicContact CB-CE 4.05Å; L1368-M1370 HydrophobicContact CB-CG 4.15Å; L1368-M1370 HydrophobicContact CD1-CE 3.99Å; L1368-M1370 PolarHBondContact O-N 3.25Å; M1370-L1377 WeakPolarHBondContact O-CD1 3.42Å; M1370-E1396 HydrophobicContact SD-CG 4.34Å; M1370-L1399 HydrophobicContact CE-CD1 3.68Å; M1370-L1399 HydrophobicContact SD-CD1 3.8Å
1371D78.7Confident82.8Confident6 Ų632 Ų323%0.03215%0.152CC..THydrogen-bonded Turntrans-94.53.1-179.8-75.35.8000113.4T492 R970 R1365 G1369T492-D1371 WeakPolarHBondContact CB-OD2 3.41Å; T492-D1371 PolarHBondContact OG1-OD2 3.45Å; R970-D1371 PolarHBondContact NH2-O 3.48Å; R970-D1371 VanDerWaalsContact NH2-O 3.12Å; R1365-D1371 IonicContact CZ-OD1 2.81Å; R1365-D1371 VanDerWaalsContact CZ-OD1 3.22Å; R1365-D1371 IonicContact NE-OD1 2.7Å; R1365-D1371 PolarHBondContact NE-OD1 2.91Å; R1365-D1371 IonicContact NE-OD2 2.79Å; R1365-D1371 IonicContact NH2-OD1 3.19Å; R1365-D1371 PolarHBondContact NH2-OD1 2.86Å; G1369-D1371 VanDerWaalsContact C-N 3.3Å; G1369-D1371 PolarHBondContact O-N 3.24Å
1372Y82.1Confident82.3Confident13 Ų1337 Ų375%0.05118%0.175CC..SBendtrans-79.5119.7169.7-178.4-91.6000110.5G1369 I1503 L1504 R1506G1369-Y1372 PolarHBondContact O-N 3.09Å; Y1372-I1503 HydrophobicContact CD1-CG2 3.98Å; Y1372-I1503 HydrophobicContact CD2-CB 3.64Å; Y1372-I1503 HydrophobicContact CD2-CG2 3.48Å; Y1372-I1503 VanDerWaalsContact CD2-CG2 3.48Å; Y1372-I1503 HydrophobicContact CE1-CG2 4.13Å; Y1372-I1503 HydrophobicContact CE2-CB 4.01Å; Y1372-I1503 HydrophobicContact CE2-CG2 3.62Å; Y1372-I1503 WeakPolarHBondContact CE2-O 3.32Å; Y1372-I1503 HydrophobicContact CG-CB 4.13Å; Y1372-I1503 HydrophobicContact CG-CD1 4.33Å; Y1372-I1503 HydrophobicContact CG-CG2 3.67Å; Y1372-L1504 PolarHBondContact OH-O 3.18Å; Y1372-R1506 HydrophobicContact CD1-CB 4.3Å; Y1372-R1506 HydrophobicContact CE1-CB 4.26Å; Y1372-R1506 PolarHBondContact O-NH1 2.83Å; Y1372-R1506 PolarHBondContact O-NH2 2.86Å
1373R79.9Confident82Confident105 Ų10543 Ų4340%0.39621%0.206SC..SBendtrans46.366.3-178.6-60.6-171.4-171.7-163.62.4113.8K1375 E1376 L1377R1373-K1375 PolarHBondContact O-N 3.12Å; R1373-E1376 HydrophobicContact CB-CB 4.4Å; R1373-E1376 HydrophobicContact CB-CG 4.11Å; R1373-E1376 WeakPolarHBondContact CD-OE1 3.4Å; R1373-E1376 VanDerWaalsContact CD-OE2 3.29Å; R1373-E1376 WeakPolarHBondContact CD-OE2 3.4Å; R1373-E1376 IonicContact CZ-OE1 3.01Å; R1373-E1376 IonicContact NE-OE1 2.75Å; R1373-E1376 IonicContact NH1-OE1 3.34Å; R1373-E1376 PolarHBondContact NH1-OE1 3.06Å; R1373-E1376 PolarHBondContact O-N 2.72Å; R1373-L1377 PolarHBondContact O-N 3.45Å
1374P82.3Confident81.6Confident12 Ų1241.7 Ų41.78%0.07820%0.202CC..Hα-helixtrans-61.7-26.9-177.925.2-34.9000113.9L495 I536 E1376 L1377 L1378L495-P1374 HydrophobicContact CD1-CB 4.06Å; L495-P1374 HydrophobicContact CD2-CB 4.08Å; I536-P1374 HydrophobicContact CG2-CB 3.81Å; I536-P1374 HydrophobicContact CG2-CG 3.92Å; P1374-E1376 VanDerWaalsContact C-N 3.31Å; P1374-E1376 PolarHBondContact O-N 3.41Å; P1374-L1377 PolarHBondContact O-N 3.1Å; P1374-L1378 WeakPolarHBondContact O-CB 3.41Å; P1374-L1378 WeakPolarHBondContact O-CG 3.44Å; P1374-L1378 PolarHBondContact O-N 3.11Å
1375K80Confident80.8Confident67 Ų6743.2 Ų43.229%0.29122%0.215SC..Hα-helixtrans-54.2-45.1171.7-72.8-167173-176.40111.4A538 E541 R1373 L1379A538-K1375 WeakPolarHBondContact O-CE 3.22Å; A538-K1375 PolarHBondContact O-NZ 3.01Å; E541-K1375 IonicContact OE1-NZ 3.18Å; E541-K1375 PolarHBondContact OE1-NZ 3.31Å; R1373-K1375 PolarHBondContact O-N 3.12Å; K1375-L1379 WeakPolarHBondContact O-CG 3.39Å; K1375-L1379 PolarHBondContact O-N 3.25Å; K1375-L1379 VanDerWaalsContact O-N 3.1Å
1376E81.9Confident79.9Confident64 Ų6446.2 Ų46.230%0.29923%0.23SC..Hα-helixtrans-70-39.9-179.6-63.5176.1175.800112.4R1373 P1374 L1379 K1380 R1506R1373-E1376 HydrophobicContact CB-CB 4.4Å; R1373-E1376 HydrophobicContact CB-CG 4.11Å; R1373-E1376 WeakPolarHBondContact CD-OE1 3.4Å; R1373-E1376 VanDerWaalsContact CD-OE2 3.29Å; R1373-E1376 WeakPolarHBondContact CD-OE2 3.4Å; R1373-E1376 IonicContact CZ-OE1 3.01Å; R1373-E1376 IonicContact NE-OE1 2.75Å; R1373-E1376 IonicContact NH1-OE1 3.34Å; R1373-E1376 PolarHBondContact NH1-OE1 3.06Å; R1373-E1376 PolarHBondContact O-N 2.72Å; P1374-E1376 VanDerWaalsContact C-N 3.31Å; P1374-E1376 PolarHBondContact O-N 3.41Å; E1376-L1379 PolarHBondContact O-N 3.35Å; E1376-K1380 WeakPolarHBondContact O-CB 3.44Å; E1376-K1380 PolarHBondContact O-N 3.1Å; E1376-R1506 IonicContact OE2-NH1 2.73Å
1377L85.5Confident79.4Confident15 Ų1544.8 Ų44.88%0.07922%0.223CC..Hα-helixtrans-63.8-43.5177.1-89.6165.9000111.9L495 F496 M1370 R1373 P1374 K1380 Y1381 W1508L495-L1377 HydrophobicContact CD1-CB 4.38Å; L495-L1377 HydrophobicContact CD1-CD1 4.12Å; F496-L1377 HydrophobicContact CE1-CB 4.5Å; F496-L1377 WeakPolarHBondContact CE1-O 3.31Å; F496-L1377 HydrophobicContact CZ-CB 3.98Å; F496-L1377 HydrophobicContact CZ-CD2 4.04Å; M1370-L1377 WeakPolarHBondContact O-CD1 3.42Å; R1373-L1377 PolarHBondContact O-N 3.45Å; P1374-L1377 PolarHBondContact O-N 3.1Å; L1377-K1380 PolarHBondContact O-N 3.39Å; L1377-Y1381 WeakPolarHBondContact O-CB 3.43Å; L1377-Y1381 PolarHBondContact O-N 3.38Å; L1377-W1508 HydrophobicContact CD2-CH2 3.77Å; L1377-W1508 HydrophobicContact CD2-CZ2 4.16Å
1378L85.6Confident79.3Confident20 Ų2044.7 Ų44.711%0.10522%0.221CC..Hα-helixtrans-65.8-39.5176.2-69.8167.2000112.1L495 F496 P499 C537 P1374 Q1382L495-L1378 HydrophobicContact CB-CD2 4.34Å; L495-L1378 WeakPolarHBondContact O-CD2 3.31Å; F496-L1378 HydrophobicContact CD1-CD2 4.21Å; F496-L1378 HydrophobicContact CE1-CD2 4.12Å; P499-L1378 HydrophobicContact CG-CD1 4.03Å; P499-L1378 HydrophobicContact CG-CD2 4.09Å; C537-L1378 HydrophobicContact CB-CD1 3.8Å; P1374-L1378 WeakPolarHBondContact O-CB 3.41Å; P1374-L1378 WeakPolarHBondContact O-CG 3.44Å; P1374-L1378 PolarHBondContact O-N 3.11Å; L1378-Q1382 WeakPolarHBondContact O-CB 3.46Å; L1378-Q1382 VanDerWaalsContact O-CG 3.3Å; L1378-Q1382 WeakPolarHBondContact O-CG 3.36Å; L1378-Q1382 PolarHBondContact O-N 2.94Å
1379L82.7Confident79.2Confident97 Ų9747 Ų4751%0.50823%0.229SC..Hα-helixtrans-64-44172.8-77.1165.9000112K1375 E1376 Q1382 N1383K1375-L1379 WeakPolarHBondContact O-CG 3.39Å; K1375-L1379 PolarHBondContact O-N 3.25Å; K1375-L1379 VanDerWaalsContact O-N 3.1Å; E1376-L1379 PolarHBondContact O-N 3.35Å; L1379-Q1382 PolarHBondContact O-N 3.48Å; L1379-N1383 PolarHBondContact O-N 2.93Å
1380K82.5Confident79.1Confident43 Ų4348.1 Ų48.119%0.18723%0.233CC..Hα-helixtrans-63.8-45.1177.2-174.9144.8175.3162.90111.3E1376 L1377 Q1382 N1383 S1384 W1508 D1510E1376-K1380 WeakPolarHBondContact O-CB 3.44Å; E1376-K1380 PolarHBondContact O-N 3.1Å; L1377-K1380 PolarHBondContact O-N 3.39Å; K1380-Q1382 VanDerWaalsContact C-N 3.33Å; K1380-Q1382 PolarHBondContact O-N 3.29Å; K1380-N1383 CarbonylContact O-C 3.57Å; K1380-N1383 PolarHBondContact O-N 3.46Å; K1380-S1384 PolarHBondContact O-N 3.01Å; K1380-S1384 PolarHBondContact O-OG 3.04Å; K1380-W1508 HydrophobicContact CD-CD2 3.96Å; K1380-W1508 HydrophobicContact CD-CE3 3.87Å; K1380-W1508 HydrophobicContact CD-CH2 3.86Å; K1380-W1508 HydrophobicContact CD-CZ2 3.97Å; K1380-W1508 HydrophobicContact CD-CZ3 3.81Å; K1380-D1510 IonicContact NZ-OD1 2.85Å; K1380-D1510 PolarHBondContact NZ-OD1 3.13Å; K1380-D1510 VanDerWaalsContact NZ-OD1 3.16Å; K1380-D1510 IonicContact NZ-OD2 3.31Å; K1380-D1510 PolarHBondContact NZ-OD2 2.86Å
1381Y86.5Confident78.8Confident28 Ų2849.6 Ų49.611%0.1124%0.24CC..Hα-helixtrans-56.1-44172.1175.5-83.9000112.6F496 P497 L1377 N1383 S1384 R1389 M1392 E1393F496-Y1381 HydrophobicContact CB-CD2 3.86Å; F496-Y1381 HydrophobicContact CB-CE2 3.76Å; F496-Y1381 HydrophobicContact CD1-CD1 4.19Å; F496-Y1381 AromaticContact CD1-CD2 3.39Å; F496-Y1381 HydrophobicContact CD1-CD2 3.39Å; F496-Y1381 HydrophobicContact CD1-CE2 4.13Å; F496-Y1381 AromaticContact CD1-CG 3.46Å; F496-Y1381 HydrophobicContact CD1-CG 3.46Å; F496-Y1381 VanDerWaalsContact CD1-CG 3.46Å; F496-Y1381 HydrophobicContact CD2-CD2 4.35Å; F496-Y1381 AromaticContact CE1-CD2 3.95Å; F496-Y1381 HydrophobicContact CE1-CD2 3.95Å; F496-Y1381 AromaticContact CE1-CG 3.77Å; F496-Y1381 HydrophobicContact CE1-CG 3.77Å; F496-Y1381 AromaticContact CG-CD2 3.61Å; F496-Y1381 HydrophobicContact CG-CD2 3.61Å; F496-Y1381 HydrophobicContact CG-CE2 4.07Å; F496-Y1381 HydrophobicContact CG-CG 4.18Å; P497-Y1381 WeakPolarHBondContact CB-OH 3.49Å; L1377-Y1381 WeakPolarHBondContact O-CB 3.43Å; L1377-Y1381 PolarHBondContact O-N 3.38Å; Y1381-N1383 PolarHBondContact O-N 3.36Å; Y1381-S1384 PolarHBondContact O-N 2.87Å; Y1381-R1389 HydrophobicContact CD1-CG 4.43Å; Y1381-R1389 HydrophobicContact CD2-CB 4.1Å; Y1381-R1389 HydrophobicContact CD2-CG 3.88Å; Y1381-R1389 HydrophobicContact CE1-CG 4.24Å; Y1381-R1389 HydrophobicContact CE2-CB 3.52Å; Y1381-R1389 HydrophobicContact CE2-CG 3.65Å; Y1381-R1389 HydrophobicContact CG-CG 4.24Å; Y1381-R1389 WeakPolarHBondContact O-CG 3.42Å; Y1381-R1389 PolarHBondContact O-NE 2.63Å; Y1381-M1392 HydrophobicContact CD2-CE 3.96Å; Y1381-E1393 HydrophobicContact CE2-CG 4.47Å; Y1381-E1393 PolarHBondContact OH-OE1 2.92Å
1382Q79.9Confident79.2Confident104 Ų10450.1 Ų50.149%0.48624%0.243SC..Hα-helixtrans-62.4-28.7175.9-75.5175.810.500112.8L1378 L1379 K1380 R1389L1378-Q1382 WeakPolarHBondContact O-CB 3.46Å; L1378-Q1382 VanDerWaalsContact O-CG 3.3Å; L1378-Q1382 WeakPolarHBondContact O-CG 3.36Å; L1378-Q1382 PolarHBondContact O-N 2.94Å; L1379-Q1382 PolarHBondContact O-N 3.48Å; K1380-Q1382 VanDerWaalsContact C-N 3.33Å; K1380-Q1382 PolarHBondContact O-N 3.29Å; Q1382-R1389 PolarHBondContact O-NH2 2.54Å
1383N77.4Confident79.5Confident138 Ų13851 Ų5174%0.73825%0.247SC*.Hα-helixtrans-97.7-11.2-179.4-63.7-6.9000114.5L1379 K1380 Y1381L1379-N1383 PolarHBondContact O-N 2.93Å; K1380-N1383 CarbonylContact O-C 3.57Å; K1380-N1383 PolarHBondContact O-N 3.46Å; Y1381-N1383 PolarHBondContact O-N 3.36Å
1384S73.5Confident79.6Confident22 Ų2247.3 Ų47.315%0.15424%0.235CC..SBendtrans-72.9157.9179.4-71.60000114.2K1380 Y1381 R1389K1380-S1384 PolarHBondContact O-N 3.01Å; K1380-S1384 PolarHBondContact O-OG 3.04Å; Y1381-S1384 PolarHBondContact O-N 2.87Å; S1384-R1389 PolarHBondContact O-NE 3.28Å
1385S69.3Low79.8Confident50 Ų5050.3 Ų50.335%0.3525%0.248SC..  trans-60.2161.3170.682.40000111.9L1387 K1388 R1389 D1570S1385-L1387 PolarHBondContact O-N 3.46Å; S1385-K1388 PolarHBondContact O-N 2.93Å; S1385-K1388 WeakPolarHBondContact OG-CB 3.31Å; S1385-K1388 PolarHBondContact OG-N 3.45Å; S1385-R1389 WeakPolarHBondContact O-CG 3.39Å; S1385-R1389 PolarHBondContact O-N 3.44Å; S1385-D1570 WeakPolarHBondContact CB-OD1 3.48Å; S1385-D1570 PolarHBondContact OG-OD1 3.11Å; S1385-D1570 PolarHBondContact OG-OD2 3.47Å
1386L68.2Low80.3Confident62 Ų6247.4 Ų47.433%0.32524%0.236SC..Hα-helixtrans-67.2-38-175.2-139.8176.3000111.1K1390 I1646L1386-K1390 PolarHBondContact O-N 3.03Å; L1386-I1646 HydrophobicContact CD1-CG1 4.14Å; L1386-I1646 HydrophobicContact CD1-CG2 4.45Å; L1386-I1646 HydrophobicContact CD2-CD1 3.45Å; L1386-I1646 VanDerWaalsContact CD2-CD1 3.45Å; L1386-I1646 HydrophobicContact CD2-CG1 3.7Å; L1386-I1646 HydrophobicContact CD2-CG2 4.25Å
1387L67.8Low80.7Confident29 Ų2944.4 Ų44.415%0.15222%0.222CC..Hα-helixtrans-67.6-39.9173.7-166.7138.4000112S1385 K1390 Q1391 D1570 I1575 M1643S1385-L1387 PolarHBondContact O-N 3.46Å; L1387-K1390 WeakPolarHBondContact O-CB 3.15Å; L1387-K1390 PolarHBondContact O-N 3.01Å; L1387-K1390 VanDerWaalsContact O-N 3.17Å; L1387-Q1391 PolarHBondContact O-N 3.01Å; L1387-D1570 HydrophobicContact CB-CB 3.87Å; L1387-D1570 VanDerWaalsContact CB-OD2 3.23Å; L1387-D1570 WeakPolarHBondContact CB-OD2 3.32Å; L1387-D1570 HydrophobicContact CD1-CB 4.2Å; L1387-D1570 PolarHBondContact N-OD2 2.86Å; L1387-I1575 HydrophobicContact CD1-CD1 4.31Å; L1387-I1575 HydrophobicContact CD1-CG1 4.19Å; L1387-M1643 HydrophobicContact CB-CE 4.49Å; L1387-M1643 HydrophobicContact CG-CE 4.3Å
1388K74.5Confident80.9Confident17 Ų1744.9 Ų44.97%0.07423%0.226CC..Hα-helixtrans-67.7-37.1178-165.567.6170-169.10112.9S1385 K1390 Q1391 M1392 D1492 E1561S1385-K1388 PolarHBondContact O-N 2.93Å; S1385-K1388 WeakPolarHBondContact OG-CB 3.31Å; S1385-K1388 PolarHBondContact OG-N 3.45Å; K1388-K1390 VanDerWaalsContact C-N 3.31Å; K1388-K1390 PolarHBondContact O-N 3.36Å; K1388-Q1391 WeakPolarHBondContact O-CB 3.43Å; K1388-Q1391 PolarHBondContact O-N 3.35Å; K1388-M1392 HydrophobicContact CG-CE 4.39Å; K1388-M1392 WeakPolarHBondContact O-CE 3.42Å; K1388-M1392 PolarHBondContact O-N 3.46Å; K1388-D1492 WeakPolarHBondContact CE-OD2 3.5Å; K1388-D1492 IonicContact NZ-OD1 2.63Å; K1388-D1492 PolarHBondContact NZ-OD1 3.35Å; K1388-D1492 VanDerWaalsContact NZ-OD1 3.12Å; K1388-D1492 IonicContact NZ-OD2 3.16Å; K1388-D1492 PolarHBondContact NZ-OD2 3.28Å; K1388-E1561 IonicContact NZ-OE1 3.42Å; K1388-E1561 PolarHBondContact NZ-OE1 3.01Å; K1388-E1561 IonicContact NZ-OE2 2.72Å; K1388-E1561 PolarHBondContact NZ-OE2 3.34Å; K1388-E1561 VanDerWaalsContact NZ-OE2 3.13Å
1389R80.9Confident81.1Confident68 Ų6844.1 Ų44.126%0.25722%0.222SC..Hα-helixtrans-55.5-46.1168.6-76-179.5-171155.26.7111.3Y1381 Q1382 S1384 S1385 M1392 E1393Y1381-R1389 HydrophobicContact CD1-CG 4.43Å; Y1381-R1389 HydrophobicContact CD2-CB 4.1Å; Y1381-R1389 HydrophobicContact CD2-CG 3.88Å; Y1381-R1389 HydrophobicContact CE1-CG 4.24Å; Y1381-R1389 HydrophobicContact CE2-CB 3.52Å; Y1381-R1389 HydrophobicContact CE2-CG 3.65Å; Y1381-R1389 HydrophobicContact CG-CG 4.24Å; Y1381-R1389 WeakPolarHBondContact O-CG 3.42Å; Y1381-R1389 PolarHBondContact O-NE 2.63Å; Q1382-R1389 PolarHBondContact O-NH2 2.54Å; S1384-R1389 PolarHBondContact O-NE 3.28Å; S1385-R1389 WeakPolarHBondContact O-CG 3.39Å; S1385-R1389 PolarHBondContact O-N 3.44Å; R1389-M1392 PolarHBondContact O-N 3.23Å; R1389-E1393 PolarHBondContact O-N 2.75Å; R1389-E1393 VanDerWaalsContact O-N 3.1Å
1390K78.5Confident81.7Confident23 Ų2339.5 Ų39.510%0.120%0.198CC..Hα-helixtrans-65-39.8177.4-167.177.7-166.6167.90112.7L1386 L1387 K1388 M1392 E1393 L1394 D1642 M1643L1386-K1390 PolarHBondContact O-N 3.03Å; L1387-K1390 WeakPolarHBondContact O-CB 3.15Å; L1387-K1390 PolarHBondContact O-N 3.01Å; L1387-K1390 VanDerWaalsContact O-N 3.17Å; K1388-K1390 VanDerWaalsContact C-N 3.31Å; K1388-K1390 PolarHBondContact O-N 3.36Å; K1390-M1392 VanDerWaalsContact C-N 3.27Å; K1390-M1392 PolarHBondContact O-N 2.98Å; K1390-E1393 WeakPolarHBondContact CD-OE2 3.45Å; K1390-E1393 WeakPolarHBondContact CE-OE2 3.24Å; K1390-E1393 IonicContact NZ-OE2 2.76Å; K1390-E1393 PolarHBondContact NZ-OE2 3.42Å; K1390-E1393 WeakPolarHBondContact O-CB 3.35Å; K1390-E1393 PolarHBondContact O-N 3.46Å; K1390-E1393 VanDerWaalsContact O-N 3.16Å; K1390-L1394 HydrophobicContact CG-CD1 3.82Å; K1390-L1394 HydrophobicContact CG-CG 4.12Å; K1390-L1394 WeakPolarHBondContact O-CB 3.36Å; K1390-L1394 WeakPolarHBondContact O-CG 3.5Å; K1390-L1394 PolarHBondContact O-N 3.2Å; K1390-D1642 WeakPolarHBondContact CE-OD2 3.44Å; K1390-D1642 IonicContact NZ-OD2 2.71Å; K1390-D1642 PolarHBondContact NZ-OD2 3.08Å; K1390-M1643 HydrophobicContact CB-CE 3.69Å; K1390-M1643 HydrophobicContact CB-SD 3.66Å; K1390-M1643 HydrophobicContact CD-CG 4.47Å; K1390-M1643 HydrophobicContact CD-SD 3.59Å; K1390-M1643 VanDerWaalsContact CD-SD 3.59Å; K1390-M1643 HydrophobicContact CG-CE 3.95Å; K1390-M1643 HydrophobicContact CG-CG 4.11Å; K1390-M1643 HydrophobicContact CG-SD 3.34Å; K1390-M1643 WeakPolarHBondContact CG-SD 3.43Å
1391Q78.2Confident82.1Confident58 Ų5837.6 Ų37.627%0.27119%0.19SC..Hα-helixtrans-53.7-48.4174.9-171.5-167.1-22.200110.5L1387 K1388 E1393 L1394 E1395L1387-Q1391 PolarHBondContact O-N 3.01Å; K1388-Q1391 WeakPolarHBondContact O-CB 3.43Å; K1388-Q1391 PolarHBondContact O-N 3.35Å; Q1391-E1393 PolarHBondContact O-N 2.72Å; Q1391-L1394 PolarHBondContact O-N 3.49Å; Q1391-E1395 WeakPolarHBondContact CG-OE1 3.44Å; Q1391-E1395 PolarHBondContact NE2-OE1 3.11Å; Q1391-E1395 WeakPolarHBondContact O-CG 3.46Å; Q1391-E1395 PolarHBondContact O-N 3.49Å
1392M85.5Confident82.4Confident18 Ų1837.8 Ų37.89%0.08919%0.193CC..Hα-helixtrans-63.5-38.1178-68.3-176.4-81.100113.3F496 Y1381 K1388 R1389 K1390 E1396F496-M1392 HydrophobicContact CD2-CB 3.73Å; F496-M1392 HydrophobicContact CE2-CB 3.91Å; F496-M1392 HydrophobicContact CE2-CG 4.41Å; F496-M1392 HydrophobicContact CE2-SD 4.11Å; F496-M1392 HydrophobicContact CZ-SD 4.26Å; Y1381-M1392 HydrophobicContact CD2-CE 3.96Å; K1388-M1392 HydrophobicContact CG-CE 4.39Å; K1388-M1392 WeakPolarHBondContact O-CE 3.42Å; K1388-M1392 PolarHBondContact O-N 3.46Å; R1389-M1392 PolarHBondContact O-N 3.23Å; K1390-M1392 VanDerWaalsContact C-N 3.27Å; K1390-M1392 PolarHBondContact O-N 2.98Å; M1392-E1396 PolarHBondContact O-N 3.21Å
1393E88.5Confident83.1Confident30 Ų3033.5 Ų33.514%0.1417%0.173CC..Hα-helixtrans-62-42.7171.8-69.7179.2-168.700112.7F496 Y1381 R1389 K1390 Q1391 E1396 D1397F496-E1393 HydrophobicContact CB-CG 4.2Å; Y1381-E1393 HydrophobicContact CE2-CG 4.47Å; Y1381-E1393 PolarHBondContact OH-OE1 2.92Å; R1389-E1393 PolarHBondContact O-N 2.75Å; R1389-E1393 VanDerWaalsContact O-N 3.1Å; K1390-E1393 WeakPolarHBondContact CD-OE2 3.45Å; K1390-E1393 WeakPolarHBondContact CE-OE2 3.24Å; K1390-E1393 IonicContact NZ-OE2 2.76Å; K1390-E1393 PolarHBondContact NZ-OE2 3.42Å; K1390-E1393 WeakPolarHBondContact O-CB 3.35Å; K1390-E1393 PolarHBondContact O-N 3.46Å; K1390-E1393 VanDerWaalsContact O-N 3.16Å; Q1391-E1393 PolarHBondContact O-N 2.72Å; E1393-E1396 PolarHBondContact O-N 2.86Å; E1393-D1397 WeakPolarHBondContact O-CB 3.45Å; E1393-D1397 PolarHBondContact O-N 2.85Å
1394L83.6Confident84Confident29 Ų2926.9 Ų26.915%0.15214%0.138CC..Hα-helixtrans-73-28.3-177.1-70.2170.4000112.3K1390 Q1391 C1398 Y1438K1390-L1394 HydrophobicContact CG-CD1 3.82Å; K1390-L1394 HydrophobicContact CG-CG 4.12Å; K1390-L1394 WeakPolarHBondContact O-CB 3.36Å; K1390-L1394 WeakPolarHBondContact O-CG 3.5Å; K1390-L1394 PolarHBondContact O-N 3.2Å; Q1391-L1394 PolarHBondContact O-N 3.49Å; L1394-C1398 WeakPolarHBondContact O-CB 3.31Å; L1394-C1398 PolarHBondContact O-N 3.16Å; L1394-Y1438 HydrophobicContact CB-CE2 4.21Å; L1394-Y1438 HydrophobicContact CD2-CD2 3.99Å; L1394-Y1438 HydrophobicContact CD2-CE2 3.74Å; L1394-Y1438 WeakPolarHBondContact O-CE2 3.4Å
1395E85.7Confident85Confident75 Ų7527.4 Ų27.435%0.3514%0.138SC..Hα-helixtrans-69.2-43.6172.4-75.3174.5-171.900111.6Q1391 C1398 L1399 Q1463Q1391-E1395 WeakPolarHBondContact CG-OE1 3.44Å; Q1391-E1395 PolarHBondContact NE2-OE1 3.11Å; Q1391-E1395 WeakPolarHBondContact O-CG 3.46Å; Q1391-E1395 PolarHBondContact O-N 3.49Å; E1395-C1398 PolarHBondContact O-N 2.82Å; E1395-L1399 PolarHBondContact O-N 3.24Å; E1395-L1399 VanDerWaalsContact O-N 3.13Å; E1395-Q1463 PolarHBondContact O-NE2 2.88Å
1396E90.5Very high86.3Confident5 Ų525.9 Ų25.92%0.02313%0.125CC..Hα-helixtrans-66.1-42.7172.8-68.3-161.2123.100112.2R494 L495 F496 R1365 M1370 M1392 E1393 C1398 L1399 L1400R494-E1396 WeakPolarHBondContact CA-OE1 3.37Å; R494-E1396 WeakPolarHBondContact CB-OE2 3.33Å; L495-E1396 VanDerWaalsContact N-CD 3.29Å; L495-E1396 PolarHBondContact N-OE1 2.69Å; L495-E1396 PolarHBondContact N-OE2 3.43Å; F496-E1396 HydrophobicContact CD2-CG 4.39Å; F496-E1396 PolarHBondContact N-OE2 3.19Å; R1365-E1396 IonicContact CZ-OE1 2.67Å; R1365-E1396 IonicContact NH1-OE1 3Å; R1365-E1396 PolarHBondContact NH1-OE1 3.31Å; R1365-E1396 IonicContact NH2-OE1 3.24Å; R1365-E1396 PolarHBondContact NH2-OE1 3.02Å; R1365-E1396 VanDerWaalsContact NH2-OE1 3.15Å; M1370-E1396 HydrophobicContact SD-CG 4.34Å; M1392-E1396 PolarHBondContact O-N 3.21Å; E1393-E1396 PolarHBondContact O-N 2.86Å; E1396-C1398 VanDerWaalsContact C-N 3.31Å; E1396-C1398 PolarHBondContact O-N 3.45Å; E1396-L1399 WeakPolarHBondContact O-CB 3.36Å; E1396-L1399 PolarHBondContact O-N 3.12Å; E1396-L1400 WeakPolarHBondContact O-CD1 3.3Å; E1396-L1400 WeakPolarHBondContact O-CG 3.28Å; E1396-L1400 PolarHBondContact O-N 3.04Å
1397D90.6Very high87.6Confident1 Ų122.9 Ų22.91%0.00511%0.11CC..Hα-helixtrans-59.4-41.1174.2-84.92.8000112R494 E1393 L1400 V1401 T1434 G1435 Y1438R494-D1397 IonicContact CZ-OD1 2.75Å; R494-D1397 VanDerWaalsContact CZ-OD1 3.27Å; R494-D1397 IonicContact NH1-OD1 3.94Å; R494-D1397 PolarHBondContact NH1-OD1 2.98Å; R494-D1397 IonicContact NH2-OD1 2.86Å; R494-D1397 PolarHBondContact NH2-OD1 3.37Å; E1393-D1397 WeakPolarHBondContact O-CB 3.45Å; E1393-D1397 PolarHBondContact O-N 2.85Å; D1397-L1400 PolarHBondContact O-N 3.3Å; D1397-V1401 WeakPolarHBondContact O-CB 3.17Å; D1397-V1401 PolarHBondContact O-N 3.2Å; D1397-T1434 WeakPolarHBondContact OD1-CA 3.44Å; D1397-G1435 WeakPolarHBondContact OD2-CA 3.42Å; D1397-G1435 PolarHBondContact OD2-N 3.41Å; D1397-Y1438 HydrophobicContact CB-CD2 3.44Å; D1397-Y1438 VanDerWaalsContact CB-CD2 3.44Å; D1397-Y1438 HydrophobicContact CB-CE2 4.03Å; D1397-Y1438 HydrophobicContact CB-CG 3.93Å
1398C88.6Confident88.9Confident25 Ų2521.5 Ų21.517%0.16910%0.103CC..Hα-helixtrans-64.1-39.8178.6-174.10000112L1394 E1395 E1396 N1402 Y1438 Q1463L1394-C1398 WeakPolarHBondContact O-CB 3.31Å; L1394-C1398 PolarHBondContact O-N 3.16Å; E1395-C1398 PolarHBondContact O-N 2.82Å; E1396-C1398 VanDerWaalsContact C-N 3.31Å; E1396-C1398 PolarHBondContact O-N 3.45Å; C1398-N1402 VanDerWaalsContact O-CB 3.29Å; C1398-N1402 WeakPolarHBondContact O-CB 3.37Å; C1398-N1402 VanDerWaalsContact O-CG 3.29Å; C1398-N1402 PolarHBondContact O-N 2.94Å; C1398-Y1438 HydrophobicContact CB-CE1 3.92Å; C1398-Y1438 HydrophobicContact CB-CE2 4.35Å; C1398-Y1438 WeakPolarHBondContact CB-OH 3.43Å; C1398-Q1463 PolarHBondContact SG-NE2 2.98Å
1399L91.5Very high89.9Confident4 Ų420.8 Ų20.82%0.02110%0.1CC..Hα-helixtrans-60.5-53.8174-178.1156.5000110.2V1361 E1364 R1365 L1368 M1370 E1395 E1396 V1401 N1402 I1403V1361-L1399 HydrophobicContact CG1-CD2 4.05Å; V1361-L1399 HydrophobicContact CG2-CD2 4.37Å; E1364-L1399 HydrophobicContact CB-CD1 4.17Å; E1364-L1399 HydrophobicContact CB-CG 4.47Å; R1365-L1399 HydrophobicContact CG-CD1 3.94Å; R1365-L1399 HydrophobicContact CG-CD2 4.36Å; L1368-L1399 HydrophobicContact CD1-CD1 3.56Å; M1370-L1399 HydrophobicContact CE-CD1 3.68Å; M1370-L1399 HydrophobicContact SD-CD1 3.8Å; E1395-L1399 PolarHBondContact O-N 3.24Å; E1395-L1399 VanDerWaalsContact O-N 3.13Å; E1396-L1399 WeakPolarHBondContact O-CB 3.36Å; E1396-L1399 PolarHBondContact O-N 3.12Å; L1399-V1401 PolarHBondContact O-N 3.3Å; L1399-N1402 PolarHBondContact O-N 3.37Å; L1399-I1403 HydrophobicContact CD2-CD1 3.67Å; L1399-I1403 HydrophobicContact CG-CD1 4.22Å; L1399-I1403 WeakPolarHBondContact O-CG1 3.34Å; L1399-I1403 PolarHBondContact O-N 3.31Å
1400L93.9Very high90.5Very high0 Ų017.7 Ų17.70%09%0.088CC..Hα-helixtrans-60.7-46.3-176.6-70.8161.5000111.4L493 R494 F1357 V1361 E1396 D1397 I1403 M1404 T1434L493-L1400 HydrophobicContact CB-CD2 4.46Å; L493-L1400 HydrophobicContact CD2-CD2 4.03Å; R494-L1400 HydrophobicContact CB-CD1 4.33Å; F1357-L1400 HydrophobicContact CZ-CD2 4.12Å; V1361-L1400 HydrophobicContact CG1-CD2 3.99Å; V1361-L1400 HydrophobicContact CG2-CD2 4.04Å; E1396-L1400 WeakPolarHBondContact O-CD1 3.3Å; E1396-L1400 WeakPolarHBondContact O-CG 3.28Å; E1396-L1400 PolarHBondContact O-N 3.04Å; D1397-L1400 PolarHBondContact O-N 3.3Å; L1400-I1403 PolarHBondContact O-N 3.37Å; L1400-M1404 WeakPolarHBondContact O-CG 3.21Å; L1400-M1404 PolarHBondContact O-N 3.12Å; L1400-T1434 HydrophobicContact CB-CG2 4.28Å; L1400-T1434 HydrophobicContact CD1-CG2 4.41Å
1401V92.2Very high91.2Very high4 Ų416.6 Ų16.62%0.0248%0.083CC..Hα-helixtrans-73.2-34.1-178.6157.70000113.3D1397 L1399 I1403 M1404 H1405 L1429 T1434 Y1438 I1442D1397-V1401 WeakPolarHBondContact O-CB 3.17Å; D1397-V1401 PolarHBondContact O-N 3.2Å; L1399-V1401 PolarHBondContact O-N 3.3Å; V1401-I1403 VanDerWaalsContact C-N 3.34Å; V1401-I1403 PolarHBondContact O-N 3.15Å; V1401-M1404 PolarHBondContact O-N 2.99Å; V1401-H1405 WeakPolarHBondContact O-CB 3.39Å; V1401-H1405 PolarHBondContact O-N 3.39Å; V1401-L1429 HydrophobicContact CG2-CD2 4.44Å; V1401-T1434 HydrophobicContact CG2-CG2 4.31Å; V1401-Y1438 HydrophobicContact CB-CD1 4.27Å; V1401-Y1438 HydrophobicContact CG1-CD1 4.12Å; V1401-I1442 HydrophobicContact CB-CG1 4.33Å; V1401-I1442 HydrophobicContact CG1-CD1 3.96Å; V1401-I1442 HydrophobicContact CG1-CG1 3.83Å; V1401-I1442 HydrophobicContact CG2-CG1 3.89Å
1402N92.8Very high91.9Very high32 Ų3214.3 Ų14.317%0.1717%0.073CC..Hα-helixtrans-64-39.4172.9-79.5-12.8000112.2C1398 L1399 H1405 N1406 N1460C1398-N1402 VanDerWaalsContact O-CB 3.29Å; C1398-N1402 WeakPolarHBondContact O-CB 3.37Å; C1398-N1402 VanDerWaalsContact O-CG 3.29Å; C1398-N1402 PolarHBondContact O-N 2.94Å; L1399-N1402 PolarHBondContact O-N 3.37Å; N1402-H1405 PolarHBondContact O-N 2.94Å; N1402-N1406 PolarHBondContact O-N 2.99Å; N1402-N1406 VanDerWaalsContact O-N 3.1Å; N1402-N1460 HydrophobicContact CB-CB 4.34Å; N1402-N1460 PolarHBondContact OD1-ND2 3.29Å
1403I94.5Very high92Very high13 Ų1313.5 Ų13.57%0.0677%0.069CC..Hα-helixtrans-70.6-38.8176.6-59.3170.9000110.4F1004 F1357 T1360 V1361 E1364 L1399 L1400 V1401 M1407F1004-I1403 HydrophobicContact CD1-CG2 4.18Å; F1004-I1403 HydrophobicContact CE1-CG2 3.48Å; F1004-I1403 VanDerWaalsContact CE1-CG2 3.48Å; F1004-I1403 HydrophobicContact CZ-CG2 3.91Å; F1357-I1403 HydrophobicContact CD2-CB 4.4Å; F1357-I1403 HydrophobicContact CD2-CG2 3.65Å; F1357-I1403 HydrophobicContact CE2-CB 4.06Å; F1357-I1403 HydrophobicContact CE2-CG2 3.81Å; T1360-I1403 HydrophobicContact CG2-CD1 4.36Å; T1360-I1403 HydrophobicContact CG2-CG2 4.07Å; V1361-I1403 HydrophobicContact CB-CD1 4.41Å; V1361-I1403 HydrophobicContact CG2-CD1 3.78Å; V1361-I1403 HydrophobicContact CG2-CG2 4.35Å; E1364-I1403 HydrophobicContact CB-CD1 4.22Å; E1364-I1403 HydrophobicContact CG-CD1 4.01Å; L1399-I1403 HydrophobicContact CD2-CD1 3.67Å; L1399-I1403 HydrophobicContact CG-CD1 4.22Å; L1399-I1403 WeakPolarHBondContact O-CG1 3.34Å; L1399-I1403 PolarHBondContact O-N 3.31Å; L1400-I1403 PolarHBondContact O-N 3.37Å; V1401-I1403 VanDerWaalsContact C-N 3.34Å; V1401-I1403 PolarHBondContact O-N 3.15Å; I1403-M1407 WeakPolarHBondContact O-CB 3.49Å; I1403-M1407 PolarHBondContact O-N 3.46Å
1404M95.7Very high92Very high0 Ų012.9 Ų12.90%07%0.069CC..Hα-helixtrans-64-40.6173.3-72.2-171.7-159.900113.2F1357 L1400 V1401 M1407 I1408 L1425 L1428 L1429 S1432 I1442F1357-M1404 HydrophobicContact CD2-CG 4.27Å; F1357-M1404 HydrophobicContact CE1-CE 4.13Å; F1357-M1404 HydrophobicContact CE2-CB 4.49Å; F1357-M1404 HydrophobicContact CE2-CE 4.16Å; F1357-M1404 HydrophobicContact CE2-CG 3.47Å; F1357-M1404 VanDerWaalsContact CE2-CG 3.47Å; F1357-M1404 HydrophobicContact CZ-CE 3.5Å; F1357-M1404 HydrophobicContact CZ-CG 3.84Å; L1400-M1404 WeakPolarHBondContact O-CG 3.21Å; L1400-M1404 PolarHBondContact O-N 3.12Å; V1401-M1404 PolarHBondContact O-N 2.99Å; M1404-M1407 PolarHBondContact O-N 3.47Å; M1404-I1408 WeakPolarHBondContact O-CG1 3.23Å; M1404-I1408 PolarHBondContact O-N 3.25Å; M1404-L1425 HydrophobicContact CB-CD1 3.89Å; M1404-L1425 HydrophobicContact CG-CD1 4.04Å; M1404-L1425 HydrophobicContact SD-CD1 4.29Å; M1404-L1428 HydrophobicContact CE-CB 4.08Å; M1404-L1429 HydrophobicContact SD-CD2 3.76Å; M1404-L1429 HydrophobicContact SD-CG 3.88Å; M1404-S1432 VanDerWaalsContact CE-OG 3.31Å; M1404-S1432 WeakPolarHBondContact CE-OG 3.21Å; M1404-I1442 HydrophobicContact CB-CD1 3.94Å; M1404-I1442 HydrophobicContact CB-CG1 4.39Å
1405H95.3Very high92.1Very high33 Ų3317.6 Ų17.615%0.1539%0.094CC..Hα-helixtrans-60.1-50.8176.2176.2100.8000111.2V1401 N1402 M1407 I1408 A1409 I1442 D1458 N1460V1401-H1405 WeakPolarHBondContact O-CB 3.39Å; V1401-H1405 PolarHBondContact O-N 3.39Å; N1402-H1405 PolarHBondContact O-N 2.94Å; H1405-M1407 VanDerWaalsContact C-N 3.29Å; H1405-M1407 PolarHBondContact O-N 3.44Å; H1405-I1408 PolarHBondContact O-N 3.47Å; H1405-I1408 VanDerWaalsContact O-N 3.14Å; H1405-A1409 PolarHBondContact O-N 3.16Å; H1405-I1442 HydrophobicContact CB-CD1 4.05Å; H1405-D1458 PolarHBondContact NE2-O 3.1Å; H1405-N1460 PolarHBondContact CD2-OD1 2.78Å; H1405-N1460 PolarHBondContact NE2-OD1 3.49Å
1406N95.4Very high92.3Very high17 Ų1714.7 Ų14.79%0.0918%0.082CC..Hα-helixtrans-62.2-36.9176.4-71.9-5.3000111.8N1402 I1408 A1409 F1410 L1459 N1460N1402-N1406 PolarHBondContact O-N 2.99Å; N1402-N1406 VanDerWaalsContact O-N 3.1Å; N1406-I1408 PolarHBondContact O-N 3.48Å; N1406-A1409 WeakPolarHBondContact O-CB 3.44Å; N1406-A1409 PolarHBondContact O-N 3.4Å; N1406-F1410 HydrophobicContact CB-CE2 4.16Å; N1406-F1410 HydrophobicContact CB-CZ 4.34Å; N1406-F1410 VanDerWaalsContact O-CD2 3.26Å; N1406-F1410 WeakPolarHBondContact O-CD2 3.39Å; N1406-F1410 WeakPolarHBondContact O-CG 3.29Å; N1406-F1410 PolarHBondContact O-N 3.28Å; N1406-L1459 HydrophobicContact CB-CD2 4.48Å; N1406-L1459 WeakPolarHBondContact OD1-CA 3.44Å; N1406-N1460 PolarHBondContact ND2-O 3Å; N1406-N1460 PolarHBondContact OD1-N 3.42Å
1407M95.9Very high92.2Very high0 Ų018.5 Ų18.50%010%0.102CC..Hα-helixtrans-64-38.2174.5-171.2169.955.600112.8F1004 W1353 F1357 I1403 M1404 H1405 A1409 F1410 M1411 L1425 L1428F1004-M1407 HydrophobicContact CE1-CB 4.07Å; F1004-M1407 HydrophobicContact CZ-CB 3.79Å; F1004-M1407 HydrophobicContact CZ-CG 4.05Å; F1004-M1407 HydrophobicContact CZ-SD 4.19Å; W1353-M1407 HydrophobicContact CB-SD 4.25Å; W1353-M1407 HydrophobicContact CE3-CG 3.97Å; W1353-M1407 HydrophobicContact CE3-SD 4.39Å; W1353-M1407 HydrophobicContact CZ3-CG 4.47Å; W1353-M1407 VanDerWaalsContact O-SD 3.41Å; F1357-M1407 HydrophobicContact CB-CE 4.15Å; F1357-M1407 HydrophobicContact CB-SD 3.85Å; F1357-M1407 HydrophobicContact CD2-CE 3.99Å; F1357-M1407 HydrophobicContact CD2-SD 4.45Å; F1357-M1407 HydrophobicContact CG-CE 4.17Å; F1357-M1407 HydrophobicContact CG-SD 4.47Å; I1403-M1407 WeakPolarHBondContact O-CB 3.49Å; I1403-M1407 PolarHBondContact O-N 3.46Å; M1404-M1407 PolarHBondContact O-N 3.47Å; H1405-M1407 VanDerWaalsContact C-N 3.29Å; H1405-M1407 PolarHBondContact O-N 3.44Å; M1407-A1409 VanDerWaalsContact C-N 3.34Å; M1407-F1410 PolarHBondContact O-N 2.89Å; M1407-M1411 HydrophobicContact CG-CG 4.13Å; M1407-M1411 HydrophobicContact CG-SD 3.95Å; M1407-M1411 WeakPolarHBondContact O-CB 3.16Å; M1407-M1411 VanDerWaalsContact O-CG 3.27Å; M1407-M1411 WeakPolarHBondContact O-CG 3.44Å; M1407-M1411 PolarHBondContact O-N 3.06Å; M1407-M1411 HydrophobicContact SD-SD 4.42Å; M1407-L1425 HydrophobicContact CE-CD1 3.65Å; M1407-L1425 HydrophobicContact CE-CD2 3.87Å; M1407-L1425 HydrophobicContact CE-CG 4.44Å; M1407-L1428 HydrophobicContact CE-CD1 3.72Å
1408I95.8Very high92.3Very high0 Ų022.2 Ų22.20%012%0.116CC..Hα-helixtrans-62.1-44.3176.1-71.4163.2000110.5M1404 H1405 N1406 M1411 L1412 I1421 L1425 I1442 L1445 L1446 L1449 I1457M1404-I1408 WeakPolarHBondContact O-CG1 3.23Å; M1404-I1408 PolarHBondContact O-N 3.25Å; H1405-I1408 PolarHBondContact O-N 3.47Å; H1405-I1408 VanDerWaalsContact O-N 3.14Å; N1406-I1408 PolarHBondContact O-N 3.48Å; I1408-M1411 PolarHBondContact O-N 3.32Å; I1408-L1412 HydrophobicContact CG2-CD1 4Å; I1408-L1412 WeakPolarHBondContact O-CB 3.4Å; I1408-L1412 WeakPolarHBondContact O-CG 3.22Å; I1408-L1412 PolarHBondContact O-N 3.4Å; I1408-I1421 HydrophobicContact CG1-CG2 4.49Å; I1408-L1425 HydrophobicContact CD1-CD1 4Å; I1408-L1425 HydrophobicContact CD1-CG 3.96Å; I1408-L1425 HydrophobicContact CG1-CD1 3.89Å; I1408-L1425 HydrophobicContact CG1-CD2 4.32Å; I1408-L1425 HydrophobicContact CG1-CG 3.69Å; I1408-I1442 HydrophobicContact CD1-CD1 4.21Å; I1408-I1442 HydrophobicContact CD1-CG2 3.87Å; I1408-L1445 HydrophobicContact CB-CD2 4.22Å; I1408-L1445 HydrophobicContact CD1-CD2 3.99Å; I1408-L1445 HydrophobicContact CG2-CD2 3.94Å; I1408-L1445 HydrophobicContact CG2-CG 4.21Å; I1408-L1446 HydrophobicContact CD1-CD2 3.83Å; I1408-L1446 HydrophobicContact CD1-CG 4.25Å; I1408-L1446 HydrophobicContact CG1-CD2 4.27Å; I1408-L1449 HydrophobicContact CG2-CD1 3.66Å; I1408-I1457 HydrophobicContact CG2-CD1 3.9Å
1409A95Very high92.4Very high1 Ų125.9 Ų25.91%0.00813%0.133CC..Hα-helixtrans-58.5-48.1173.100000111.5H1405 N1406 M1407 M1411 L1412 M1413 I1457 L1459H1405-A1409 PolarHBondContact O-N 3.16Å; N1406-A1409 WeakPolarHBondContact O-CB 3.44Å; N1406-A1409 PolarHBondContact O-N 3.4Å; M1407-A1409 VanDerWaalsContact C-N 3.34Å; A1409-M1411 PolarHBondContact O-N 3.38Å; A1409-L1412 PolarHBondContact O-N 3.27Å; A1409-M1413 WeakPolarHBondContact O-CB 3.21Å; A1409-M1413 PolarHBondContact O-N 3.02Å; A1409-I1457 HydrophobicContact CB-CB 3.9Å; A1409-I1457 HydrophobicContact CB-CD1 4.43Å; A1409-I1457 HydrophobicContact CB-CG2 3.93Å; A1409-L1459 HydrophobicContact CB-CD2 3.54Å
1410F94Very high92.4Very high3 Ų326.9 Ų26.91%0.01314%0.141CC..Hα-helixtrans-65-36.7179.5-59.1-26.2000113.8F1004 M1007 E1008 H1011 W1353 N1406 M1407 M1413 A1414 L1459F1004-F1410 HydrophobicContact CB-CE2 4.17Å; F1004-F1410 HydrophobicContact CD1-CD2 4.07Å; F1004-F1410 AromaticContact CD1-CE2 3.62Å; F1004-F1410 HydrophobicContact CD1-CE2 3.62Å; F1004-F1410 HydrophobicContact CE1-CD2 4.27Å; F1004-F1410 HydrophobicContact CE1-CE2 4.2Å; F1004-F1410 HydrophobicContact CG-CD2 4.36Å; F1004-F1410 AromaticContact CG-CE2 3.97Å; F1004-F1410 HydrophobicContact CG-CE2 3.97Å; M1007-F1410 HydrophobicContact CB-CB 4.06Å; M1007-F1410 HydrophobicContact CB-CD1 3.51Å; M1007-F1410 HydrophobicContact CB-CD2 3.68Å; M1007-F1410 HydrophobicContact CB-CE1 3.73Å; M1007-F1410 HydrophobicContact CB-CE2 3.91Å; M1007-F1410 HydrophobicContact CB-CG 3.48Å; M1007-F1410 VanDerWaalsContact CB-CG 3.48Å; M1007-F1410 HydrophobicContact CB-CZ 3.93Å; M1007-F1410 HydrophobicContact CG-CB 4.26Å; M1007-F1410 HydrophobicContact CG-CD2 4.36Å; M1007-F1410 HydrophobicContact CG-CG 4.18Å; E1008-F1410 HydrophobicContact CB-CZ 4.25Å; H1011-F1410 HydrophobicContact CB-CE1 4.34Å; W1353-F1410 HydrophobicContact CH2-CB 3.94Å; W1353-F1410 HydrophobicContact CZ3-CB 3.75Å; N1406-F1410 HydrophobicContact CB-CE2 4.16Å; N1406-F1410 HydrophobicContact CB-CZ 4.34Å; N1406-F1410 VanDerWaalsContact O-CD2 3.26Å; N1406-F1410 WeakPolarHBondContact O-CD2 3.39Å; N1406-F1410 WeakPolarHBondContact O-CG 3.29Å; N1406-F1410 PolarHBondContact O-N 3.28Å; M1407-F1410 PolarHBondContact O-N 2.89Å; F1410-M1413 HydrophobicContact CD1-CE 4.27Å; F1410-A1414 VanDerWaalsContact O-CB 3.26Å; F1410-A1414 WeakPolarHBondContact O-CB 3.25Å; F1410-A1414 PolarHBondContact O-N 3.05Å; F1410-L1459 HydrophobicContact CD1-CD2 4.18Å; F1410-L1459 HydrophobicContact CE1-CD1 3.71Å; F1410-L1459 HydrophobicContact CE1-CD2 3.62Å; F1410-L1459 HydrophobicContact CE1-CG 4.34Å; F1410-L1459 HydrophobicContact CZ-CD1 4.14Å; F1410-L1459 HydrophobicContact CZ-CD2 4.21Å
1411M92.9Very high92.4Very high0 Ų026.9 Ų26.90%014%0.141CC..Hα-helixtrans-71.2-36.8176.8-70.8-1808500112.3L1350 W1353 M1407 I1408 A1409 N1415 V1416 I1421 L1425L1350-M1411 HydrophobicContact CD2-CE 3.87Å; W1353-M1411 HydrophobicContact CB-CE 4.22Å; W1353-M1411 HydrophobicContact CB-SD 4.34Å; W1353-M1411 HydrophobicContact CD2-CE 4.34Å; W1353-M1411 HydrophobicContact CD2-CG 3.56Å; W1353-M1411 HydrophobicContact CD2-SD 4.21Å; W1353-M1411 HydrophobicContact CE3-CG 3.61Å; W1353-M1411 HydrophobicContact CE3-SD 4.42Å; W1353-M1411 HydrophobicContact CG-CE 3.91Å; W1353-M1411 HydrophobicContact CG-CG 4.12Å; W1353-M1411 HydrophobicContact CG-SD 4.18Å; W1353-M1411 HydrophobicContact CH2-CG 4.07Å; W1353-M1411 HydrophobicContact CZ2-CG 4.04Å; W1353-M1411 HydrophobicContact CZ3-CG 3.87Å; M1407-M1411 HydrophobicContact CG-CG 4.13Å; M1407-M1411 HydrophobicContact CG-SD 3.95Å; M1407-M1411 WeakPolarHBondContact O-CB 3.16Å; M1407-M1411 VanDerWaalsContact O-CG 3.27Å; M1407-M1411 WeakPolarHBondContact O-CG 3.44Å; M1407-M1411 PolarHBondContact O-N 3.06Å; M1407-M1411 HydrophobicContact SD-SD 4.42Å; I1408-M1411 PolarHBondContact O-N 3.32Å; A1409-M1411 PolarHBondContact O-N 3.38Å; M1411-N1415 PolarHBondContact O-N 3.28Å; M1411-V1416 HydrophobicContact CB-CB 4.23Å; M1411-V1416 HydrophobicContact CB-CG2 4.24Å; M1411-V1416 HydrophobicContact CE-CB 4.36Å; M1411-V1416 HydrophobicContact CE-CG1 3.84Å; M1411-V1416 WeakPolarHBondContact O-CB 3.36Å; M1411-V1416 PolarHBondContact O-N 3.29Å; M1411-I1421 HydrophobicContact CB-CD1 3.88Å; M1411-I1421 HydrophobicContact CB-CG1 3.94Å; M1411-I1421 HydrophobicContact CE-CG1 3.94Å; M1411-I1421 HydrophobicContact SD-CG1 4.34Å; M1411-L1425 HydrophobicContact SD-CD2 3.9Å
1412L91.4Very high92.5Very high11 Ų1129 Ų296%0.05815%0.148CC..Hα-helixtrans-67.9-46172.9-80165.3000111.7I1408 A1409 A1414 N1415 I1421 L1449 L1452 I1457I1408-L1412 HydrophobicContact CG2-CD1 4Å; I1408-L1412 WeakPolarHBondContact O-CB 3.4Å; I1408-L1412 WeakPolarHBondContact O-CG 3.22Å; I1408-L1412 PolarHBondContact O-N 3.4Å; A1409-L1412 PolarHBondContact O-N 3.27Å; L1412-A1414 PolarHBondContact O-N 3.21Å; L1412-N1415 PolarHBondContact O-N 3.08Å; L1412-I1421 HydrophobicContact CD2-CD1 4.18Å; L1412-I1421 HydrophobicContact CG-CD1 4.17Å; L1412-L1449 HydrophobicContact CD1-CD1 3.89Å; L1412-L1449 HydrophobicContact CD1-CG 4.04Å; L1412-L1449 HydrophobicContact CD2-CD1 4.44Å; L1412-L1449 HydrophobicContact CD2-CD2 4.16Å; L1412-L1449 HydrophobicContact CD2-CG 4.03Å; L1412-L1449 HydrophobicContact CG-CD1 4.29Å; L1412-L1449 HydrophobicContact CG-CG 4.38Å; L1412-L1452 HydrophobicContact CD1-CB 4.34Å; L1412-I1457 HydrophobicContact CD1-CD1 3.5Å
1413M89.5Confident92.5Very high0 Ų033.4 Ų33.40%017%0.166CC..Hα-helixtrans-56.3-37.7174.4-176-168.965.900112M1007 A1010 H1011 F1333 F1337 A1409 F1410 N1415 G1454M1007-M1413 HydrophobicContact CB-CE 3.97Å; M1007-M1413 HydrophobicContact CG-CE 4.26Å; M1007-M1413 HydrophobicContact SD-CE 3.49Å; M1007-M1413 WeakPolarHBondContact SD-CE 3.2Å; A1010-M1413 HydrophobicContact CB-CE 4.13Å; A1010-M1413 HydrophobicContact CB-SD 4.3Å; H1011-M1413 VanDerWaalsContact CA-SD 3.55Å; H1011-M1413 HydrophobicContact CB-SD 3.51Å; H1011-M1413 VanDerWaalsContact CB-SD 3.51Å; F1333-M1413 HydrophobicContact CB-CE 4.38Å; F1333-M1413 HydrophobicContact CB-CG 3.46Å; F1333-M1413 VanDerWaalsContact CB-CG 3.46Å; F1333-M1413 HydrophobicContact CB-SD 3.45Å; F1333-M1413 WeakPolarHBondContact CB-SD 3.29Å; F1333-M1413 HydrophobicContact CD1-CG 3.81Å; F1333-M1413 HydrophobicContact CD1-SD 3.99Å; F1333-M1413 HydrophobicContact CD2-CG 3.53Å; F1333-M1413 HydrophobicContact CE1-CG 4.46Å; F1333-M1413 HydrophobicContact CE2-CG 4.22Å; F1333-M1413 HydrophobicContact CG-CG 3.32Å; F1333-M1413 HydrophobicContact CG-SD 3.79Å; F1337-M1413 VanDerWaalsContact CD2-O 3.26Å; F1337-M1413 WeakPolarHBondContact CD2-O 3.49Å; F1337-M1413 HydrophobicContact CE2-CE 4.1Å; F1337-M1413 HydrophobicContact CE2-CG 4.16Å; F1337-M1413 WeakPolarHBondContact CE2-O 3.32Å; F1337-M1413 HydrophobicContact CZ-CE 4.43Å; A1409-M1413 WeakPolarHBondContact O-CB 3.21Å; A1409-M1413 PolarHBondContact O-N 3.02Å; F1410-M1413 HydrophobicContact CD1-CE 4.27Å; M1413-N1415 VanDerWaalsContact C-N 3.29Å; M1413-N1415 PolarHBondContact O-N 2.84Å; M1413-G1454 WeakPolarHBondContact CA-O 3.46Å
1414A87.5Confident92.4Very high18 Ų1833.9 Ų33.915%0.14917%0.167CC..THydrogen-bonded Turntrans-82.45.3176.200000114.6F1337 W1353 F1410 L1412 V1416F1337-A1414 HydrophobicContact CE2-CB 4.19Å; F1337-A1414 HydrophobicContact CZ-CB 4.04Å; W1353-A1414 HydrophobicContact CH2-CB 4.33Å; W1353-A1414 HydrophobicContact CZ2-CB 3.98Å; F1410-A1414 VanDerWaalsContact O-CB 3.26Å; F1410-A1414 WeakPolarHBondContact O-CB 3.25Å; F1410-A1414 PolarHBondContact O-N 3.05Å; L1412-A1414 PolarHBondContact O-N 3.21Å; A1414-V1416 VanDerWaalsContact C-N 3.3Å; A1414-V1416 HydrophobicContact CB-CG2 4.34Å; A1414-V1416 PolarHBondContact O-N 3.29Å
1415N86.5Confident92.4Very high127 Ų12733.9 Ų33.968%0.67917%0.167SC*.THydrogen-bonded Turntrans54.436.6-176.6-72.2-67.6000114.8M1411 L1412 M1413M1411-N1415 PolarHBondContact O-N 3.28Å; L1412-N1415 PolarHBondContact O-N 3.08Å; M1413-N1415 VanDerWaalsContact C-N 3.29Å; M1413-N1415 PolarHBondContact O-N 2.84Å
1416V88.9Confident92.2Very high15 Ų1537 Ų379%0.09118%0.182CC..  trans-68.3144.9168.6-174.80000109.5L1350 W1353 M1411 A1414 R1418 I1421L1350-V1416 HydrophobicContact CD2-CG1 3.99Å; W1353-V1416 HydrophobicContact CZ2-CG2 4.2Å; M1411-V1416 HydrophobicContact CB-CB 4.23Å; M1411-V1416 HydrophobicContact CB-CG2 4.24Å; M1411-V1416 HydrophobicContact CE-CB 4.36Å; M1411-V1416 HydrophobicContact CE-CG1 3.84Å; M1411-V1416 WeakPolarHBondContact O-CB 3.36Å; M1411-V1416 PolarHBondContact O-N 3.29Å; A1414-V1416 VanDerWaalsContact C-N 3.3Å; A1414-V1416 HydrophobicContact CB-CG2 4.34Å; A1414-V1416 PolarHBondContact O-N 3.29Å; V1416-R1418 PolarHBondContact O-N 3.17Å; V1416-I1421 HydrophobicContact CB-CD1 4.22Å; V1416-I1421 HydrophobicContact CB-CG1 4.18Å; V1416-I1421 HydrophobicContact CG1-CG1 4.12Å; V1416-I1421 WeakPolarHBondContact O-CD1 3.4Å
1417D89Confident92Very high84 Ų8443.2 Ų43.245%0.44920%0.204SC..  trans-65.8136.6-173.289.179.4000112.8I1419 S1420 I1421D1417-I1419 PolarHBondContact O-N 3.43Å; D1417-I1419 VanDerWaalsContact O-N 3.09Å; D1417-I1419 WeakPolarHBondContact OD1-CA 3.39Å; D1417-I1419 WeakPolarHBondContact OD1-CB 3.36Å; D1417-I1419 PolarHBondContact OD1-N 3.48Å; D1417-S1420 VanDerWaalsContact CG-OG 3.31Å; D1417-S1420 PolarHBondContact O-N 3.46Å; D1417-S1420 PolarHBondContact OD1-N 2.94Å; D1417-S1420 PolarHBondContact OD1-OG 2.93Å; D1417-S1420 WeakPolarHBondContact OD2-CB 3.27Å; D1417-S1420 PolarHBondContact OD2-OG 2.86Å; D1417-I1421 WeakPolarHBondContact O-CG1 3.16Å; D1417-I1421 PolarHBondContact O-N 2.99Å
1418R91.5Very high91.7Very high79 Ų7943.3 Ų43.330%0.29821%0.205SC..Hα-helixtrans-63.1-17.8-173.2-66.2-177.4167157-3.9114.3V1416 R1422 L1449 N1450 L1452 N1453V1416-R1418 PolarHBondContact O-N 3.17Å; R1418-R1422 WeakPolarHBondContact O-CG 3.38Å; R1418-L1449 HydrophobicContact CB-CD2 3.6Å; R1418-L1449 WeakPolarHBondContact CD-O 3.22Å; R1418-L1449 HydrophobicContact CG-CD2 3.62Å; R1418-L1449 PolarHBondContact NE-O 2.64Å; R1418-N1450 VanDerWaalsContact CZ-O 3.28Å; R1418-N1450 PolarHBondContact NH1-O 3.17Å; R1418-N1450 PolarHBondContact NH2-O 2.57Å; R1418-L1452 PolarHBondContact NH2-O 2.75Å; R1418-N1453 PolarHBondContact NH2-OD1 3.02Å
1419I91.4Very high91.4Very high103 Ų10343.8 Ų43.853%0.52821%0.207SC..Hα-helixtrans-86.1-43179.3-60.6175.1000109.3D1417 R1422 K1423D1417-I1419 PolarHBondContact O-N 3.43Å; D1417-I1419 VanDerWaalsContact O-N 3.09Å; D1417-I1419 WeakPolarHBondContact OD1-CA 3.39Å; D1417-I1419 WeakPolarHBondContact OD1-CB 3.36Å; D1417-I1419 PolarHBondContact OD1-N 3.48Å; I1419-R1422 PolarHBondContact O-N 2.87Å; I1419-K1423 HydrophobicContact CG2-CD 4.02Å; I1419-K1423 WeakPolarHBondContact O-CB 3.24Å; I1419-K1423 WeakPolarHBondContact O-CG 3.21Å; I1419-K1423 PolarHBondContact O-N 3.23Å
1420S91.9Very high91Very high25 Ų2546.7 Ų46.718%0.17523%0.231CC..Hα-helixtrans-65.6-39.8173.6-67.70000112.8D1417 R1422 K1423 K1424D1417-S1420 VanDerWaalsContact CG-OG 3.31Å; D1417-S1420 PolarHBondContact O-N 3.46Å; D1417-S1420 PolarHBondContact OD1-N 2.94Å; D1417-S1420 PolarHBondContact OD1-OG 2.93Å; D1417-S1420 WeakPolarHBondContact OD2-CB 3.27Å; D1417-S1420 PolarHBondContact OD2-OG 2.86Å; S1420-R1422 PolarHBondContact O-N 2.93Å; S1420-K1423 PolarHBondContact O-N 2.88Å; S1420-K1424 WeakPolarHBondContact O-CB 3.39Å; S1420-K1424 PolarHBondContact O-N 3.28Å
1421I93.6Very high90.6Very high0 Ų048 Ų480%024%0.237CC..Hα-helixtrans-54.6-54.9173.6-65.7169000109.6I1408 M1411 L1412 V1416 D1417 K1423 K1424 L1425 L1446 L1449I1408-I1421 HydrophobicContact CG1-CG2 4.49Å; M1411-I1421 HydrophobicContact CB-CD1 3.88Å; M1411-I1421 HydrophobicContact CB-CG1 3.94Å; M1411-I1421 HydrophobicContact CE-CG1 3.94Å; M1411-I1421 HydrophobicContact SD-CG1 4.34Å; L1412-I1421 HydrophobicContact CD2-CD1 4.18Å; L1412-I1421 HydrophobicContact CG-CD1 4.17Å; V1416-I1421 HydrophobicContact CB-CD1 4.22Å; V1416-I1421 HydrophobicContact CB-CG1 4.18Å; V1416-I1421 HydrophobicContact CG1-CG1 4.12Å; V1416-I1421 WeakPolarHBondContact O-CD1 3.4Å; D1417-I1421 WeakPolarHBondContact O-CG1 3.16Å; D1417-I1421 PolarHBondContact O-N 2.99Å; I1421-K1423 PolarHBondContact O-N 3.02Å; I1421-K1424 PolarHBondContact O-N 3.36Å; I1421-L1425 HydrophobicContact CG2-CD2 4.23Å; I1421-L1425 WeakPolarHBondContact O-CB 3.36Å; I1421-L1425 WeakPolarHBondContact O-CD2 3.34Å; I1421-L1425 PolarHBondContact O-N 3.5Å; I1421-L1446 HydrophobicContact CG2-CD2 4.14Å; I1421-L1449 HydrophobicContact CG2-CD1 3.81Å
1422R94.4Very high90.3Very high47 Ų4748 Ų4818%0.17724%0.237CC..Hα-helixtrans-56.1-52.6177.9-72.1179.6175.4112.2-6.4112.2R1418 I1419 S1420 K1424 L1425 Q1426 L1446 N1447 N1450R1418-R1422 WeakPolarHBondContact O-CG 3.38Å; I1419-R1422 PolarHBondContact O-N 2.87Å; S1420-R1422 PolarHBondContact O-N 2.93Å; R1422-K1424 VanDerWaalsContact C-N 3.3Å; R1422-K1424 PolarHBondContact O-N 3.07Å; R1422-L1425 PolarHBondContact O-N 3.42Å; R1422-Q1426 VanDerWaalsContact O-CB 3.31Å; R1422-Q1426 WeakPolarHBondContact O-CB 3.32Å; R1422-Q1426 VanDerWaalsContact O-CG 3.24Å; R1422-Q1426 WeakPolarHBondContact O-CG 3.38Å; R1422-Q1426 PolarHBondContact O-N 2.85Å; R1422-L1446 HydrophobicContact CG-CB 4.36Å; R1422-L1446 HydrophobicContact CG-CD2 4.23Å; R1422-L1446 PolarHBondContact NE-O 3.36Å; R1422-L1446 PolarHBondContact NH2-O 2.84Å; R1422-N1447 PolarHBondContact NH2-O 3.25Å; R1422-N1450 VanDerWaalsContact CZ-OD1 3.31Å; R1422-N1450 PolarHBondContact NH1-OD1 3.44Å; R1422-N1450 PolarHBondContact NH2-OD1 3.48Å
1423K92.5Very high90Very high125 Ų12551.9 Ų51.954%0.54325%0.254SS..Hα-helixtrans-60.8-35.3-179.2-74174.2-179.6173.30113.1I1419 S1420 I1421 R1427I1419-K1423 HydrophobicContact CG2-CD 4.02Å; I1419-K1423 WeakPolarHBondContact O-CB 3.24Å; I1419-K1423 WeakPolarHBondContact O-CG 3.21Å; I1419-K1423 PolarHBondContact O-N 3.23Å; S1420-K1423 PolarHBondContact O-N 2.88Å; I1421-K1423 PolarHBondContact O-N 3.02Å; K1423-R1427 WeakPolarHBondContact O-CD 3.49Å; K1423-R1427 VanDerWaalsContact O-CG 3.26Å; K1423-R1427 WeakPolarHBondContact O-CG 3.4Å; K1423-R1427 PolarHBondContact O-N 2.65Å
1424K93.2Very high89.7Confident23 Ų2352.7 Ų52.710%0.126%0.259CS..Hα-helixtrans-77.7-47.1-179.1-171.966.9171.3-172.60111.4L1350 E1354 S1420 I1421 R1422 R1427 L1428L1350-K1424 HydrophobicContact CB-CD 4.33Å; L1350-K1424 WeakPolarHBondContact O-CE 3.3Å; L1350-K1424 PolarHBondContact O-NZ 3.04Å; E1354-K1424 VanDerWaalsContact CB-CE 3.49Å; E1354-K1424 VanDerWaalsContact CB-NZ 3.25Å; E1354-K1424 WeakPolarHBondContact OE2-CE 3.48Å; E1354-K1424 IonicContact OE2-NZ 3.13Å; E1354-K1424 PolarHBondContact OE2-NZ 3.45Å; S1420-K1424 WeakPolarHBondContact O-CB 3.39Å; S1420-K1424 PolarHBondContact O-N 3.28Å; I1421-K1424 PolarHBondContact O-N 3.36Å; R1422-K1424 VanDerWaalsContact C-N 3.3Å; R1422-K1424 PolarHBondContact O-N 3.07Å; K1424-R1427 PolarHBondContact O-N 2.91Å; K1424-L1428 HydrophobicContact CG-CD1 4.32Å; K1424-L1428 WeakPolarHBondContact O-CG 3.41Å; K1424-L1428 PolarHBondContact O-N 2.86Å
1425L94.4Very high89.1Confident0 Ų052.7 Ų52.70%026%0.261CS..Hα-helixtrans-67.1-39.2179.5-86.2-71.8000112.1M1404 M1407 I1408 M1411 I1421 R1422 R1427 L1428 L1429 L1446M1404-L1425 HydrophobicContact CB-CD1 3.89Å; M1404-L1425 HydrophobicContact CG-CD1 4.04Å; M1404-L1425 HydrophobicContact SD-CD1 4.29Å; M1407-L1425 HydrophobicContact CE-CD1 3.65Å; M1407-L1425 HydrophobicContact CE-CD2 3.87Å; M1407-L1425 HydrophobicContact CE-CG 4.44Å; I1408-L1425 HydrophobicContact CD1-CD1 4Å; I1408-L1425 HydrophobicContact CD1-CG 3.96Å; I1408-L1425 HydrophobicContact CG1-CD1 3.89Å; I1408-L1425 HydrophobicContact CG1-CD2 4.32Å; I1408-L1425 HydrophobicContact CG1-CG 3.69Å; M1411-L1425 HydrophobicContact SD-CD2 3.9Å; I1421-L1425 HydrophobicContact CG2-CD2 4.23Å; I1421-L1425 WeakPolarHBondContact O-CB 3.36Å; I1421-L1425 WeakPolarHBondContact O-CD2 3.34Å; I1421-L1425 PolarHBondContact O-N 3.5Å; R1422-L1425 PolarHBondContact O-N 3.42Å; L1425-R1427 VanDerWaalsContact C-N 3.3Å; L1425-R1427 PolarHBondContact O-N 3.31Å; L1425-L1428 PolarHBondContact O-N 3.39Å; L1425-L1429 WeakPolarHBondContact O-CB 3.27Å; L1425-L1429 PolarHBondContact O-N 3.01Å; L1425-L1446 HydrophobicContact CB-CD1 3.94Å; L1425-L1446 HydrophobicContact CB-CD2 4.16Å; L1425-L1446 HydrophobicContact CG-CD2 4.46Å
1426Q91.7Very high88.5Confident98 Ų9849.4 Ų49.446%0.45824%0.243SC..Hα-helixtrans-61.2-37.8174.1-74.2173.1-2500112.5R1422 A1430 L1446R1422-Q1426 VanDerWaalsContact O-CB 3.31Å; R1422-Q1426 WeakPolarHBondContact O-CB 3.32Å; R1422-Q1426 VanDerWaalsContact O-CG 3.24Å; R1422-Q1426 WeakPolarHBondContact O-CG 3.38Å; R1422-Q1426 PolarHBondContact O-N 2.85Å; Q1426-A1430 PolarHBondContact O-N 2.81Å; Q1426-A1430 VanDerWaalsContact O-N 3.17Å; Q1426-L1446 HydrophobicContact CG-CD1 4.08Å
1427R90.3Very high87.9Confident148 Ų14850.8 Ų50.856%0.55825%0.249SC*.Hα-helixtrans-67.8-41.1173.5-73.7172.5178.9-169-1.9112.1K1423 K1424 L1425 A1430 K1431K1423-R1427 WeakPolarHBondContact O-CD 3.49Å; K1423-R1427 VanDerWaalsContact O-CG 3.26Å; K1423-R1427 WeakPolarHBondContact O-CG 3.4Å; K1423-R1427 PolarHBondContact O-N 2.65Å; K1424-R1427 PolarHBondContact O-N 2.91Å; L1425-R1427 VanDerWaalsContact C-N 3.3Å; L1425-R1427 PolarHBondContact O-N 3.31Å; R1427-A1430 PolarHBondContact O-N 2.95Å; R1427-K1431 VanDerWaalsContact O-CB 3.27Å; R1427-K1431 WeakPolarHBondContact O-CB 3.34Å; R1427-K1431 PolarHBondContact O-N 2.86Å
1428L90.1Very high87.5Confident2 Ų248.4 Ų48.41%0.0123%0.234CC..Hα-helixtrans-68.7-38.8178.4-71.4172.4000112.4E1354 F1357 M1404 M1407 K1424 L1425 K1431 S1432E1354-L1428 HydrophobicContact CG-CD2 4.03Å; F1357-L1428 HydrophobicContact CD1-CD1 4.3Å; F1357-L1428 HydrophobicContact CD1-CD2 4.2Å; F1357-L1428 HydrophobicContact CE1-CD2 4.46Å; F1357-L1428 HydrophobicContact CG-CD1 4.5Å; M1404-L1428 HydrophobicContact CE-CB 4.08Å; M1407-L1428 HydrophobicContact CE-CD1 3.72Å; K1424-L1428 HydrophobicContact CG-CD1 4.32Å; K1424-L1428 WeakPolarHBondContact O-CG 3.41Å; K1424-L1428 PolarHBondContact O-N 2.86Å; L1425-L1428 PolarHBondContact O-N 3.39Å; L1428-K1431 PolarHBondContact O-N 2.9Å; L1428-S1432 VanDerWaalsContact O-CB 3.22Å; L1428-S1432 WeakPolarHBondContact O-CB 3.43Å; L1428-S1432 PolarHBondContact O-N 3.22Å; L1428-S1432 PolarHBondContact O-OG 3.43Å
1429L89.1Confident87.2Confident11 Ų1145.4 Ų45.46%0.05823%0.225CC..Hα-helixtrans-55.5-52.8169.8-82.5171.6000111.3V1401 M1404 L1425 K1431 S1432 H1433 T1434 I1442V1401-L1429 HydrophobicContact CG2-CD2 4.44Å; M1404-L1429 HydrophobicContact SD-CD2 3.76Å; M1404-L1429 HydrophobicContact SD-CG 3.88Å; L1425-L1429 WeakPolarHBondContact O-CB 3.27Å; L1425-L1429 PolarHBondContact O-N 3.01Å; L1429-K1431 PolarHBondContact O-N 3.05Å; L1429-S1432 PolarHBondContact O-N 2.88Å; L1429-S1432 VanDerWaalsContact O-N 3.14Å; L1429-H1433 PolarHBondContact O-N 2.83Å; L1429-T1434 WeakPolarHBondContact CD2-OG1 3.46Å; L1429-I1442 HydrophobicContact CD1-CB 4.07Å; L1429-I1442 HydrophobicContact CD1-CG2 3.7Å; L1429-I1442 HydrophobicContact CD2-CB 4.23Å; L1429-I1442 HydrophobicContact CD2-CG1 4.29Å; L1429-I1442 HydrophobicContact CD2-CG2 4.39Å; L1429-I1442 HydrophobicContact CG-CG2 4.24Å
1430A86.4Confident86.9Confident62 Ų6244 Ų4451%0.51221%0.213SC..Hα-helixtrans-60.4-47.1179.700000112Q1426 R1427 S1432 H1433Q1426-A1430 PolarHBondContact O-N 2.81Å; Q1426-A1430 VanDerWaalsContact O-N 3.17Å; R1427-A1430 PolarHBondContact O-N 2.95Å; A1430-S1432 PolarHBondContact O-N 2.96Å; A1430-H1433 PolarHBondContact O-N 2.77Å; A1430-H1433 VanDerWaalsContact O-N 3.15Å
1431K85.7Confident86.6Confident30 Ų3047.6 Ų47.613%0.1323%0.225CC..Hα-helixtrans-63.4-24.5176.2-173.7173.8177177.40113.1L493 V500 E1354 R1427 L1428 L1429L493-K1431 HydrophobicContact CD1-CG 4.2Å; V500-K1431 WeakPolarHBondContact CG1-O 3.37Å; E1354-K1431 IonicContact OE1-NZ 2.73Å; E1354-K1431 PolarHBondContact OE1-NZ 2.85Å; R1427-K1431 VanDerWaalsContact O-CB 3.27Å; R1427-K1431 WeakPolarHBondContact O-CB 3.34Å; R1427-K1431 PolarHBondContact O-N 2.86Å; L1428-K1431 PolarHBondContact O-N 2.9Å; L1429-K1431 PolarHBondContact O-N 3.05Å
1432S86.8Confident86.5Confident0 Ų047.6 Ų47.60%023%0.225CC..THydrogen-bonded Turntrans-90.8-3.8177.9-55.70000113.8R494 M1404 L1428 L1429 A1430 T1434R494-S1432 WeakPolarHBondContact CD-O 3.39Å; R494-S1432 PolarHBondContact NH1-O 3.31Å; M1404-S1432 VanDerWaalsContact CE-OG 3.31Å; M1404-S1432 WeakPolarHBondContact CE-OG 3.21Å; L1428-S1432 VanDerWaalsContact O-CB 3.22Å; L1428-S1432 WeakPolarHBondContact O-CB 3.43Å; L1428-S1432 PolarHBondContact O-N 3.22Å; L1428-S1432 PolarHBondContact O-OG 3.43Å; L1429-S1432 PolarHBondContact O-N 2.88Å; L1429-S1432 VanDerWaalsContact O-N 3.14Å; A1430-S1432 PolarHBondContact O-N 2.96Å; S1432-T1434 PolarHBondContact O-N 3.36Å; S1432-T1434 VanDerWaalsContact O-N 3.07Å
1433H85.1Confident86.3Confident92 Ų9247.9 Ų47.943%0.42623%0.23SC..THydrogen-bonded Turntrans49.831.6-179.8-68.2-90.8000114.7R494 R498 L1429 A1430R494-H1433 PolarHBondContact NH1-O 3.06Å; R498-H1433 PolarHBondContact NH2-NE2 3.4Å; R498-H1433 VanDerWaalsContact NH2-NE2 3.16Å; L1429-H1433 PolarHBondContact O-N 2.83Å; A1430-H1433 PolarHBondContact O-N 2.77Å; A1430-H1433 VanDerWaalsContact O-N 3.15Å
1434T83Confident86.2Confident17 Ų1746.2 Ų46.210%0.10423%0.228CC..  trans-64.4138.9-17652.60000112.7D1397 L1400 V1401 L1429 S1432D1397-T1434 WeakPolarHBondContact OD1-CA 3.44Å; L1400-T1434 HydrophobicContact CB-CG2 4.28Å; L1400-T1434 HydrophobicContact CD1-CG2 4.41Å; V1401-T1434 HydrophobicContact CG2-CG2 4.31Å; L1429-T1434 WeakPolarHBondContact CD2-OG1 3.46Å; S1432-T1434 PolarHBondContact O-N 3.36Å; S1432-T1434 VanDerWaalsContact O-N 3.07Å
1435G75.1Confident86.1Confident18 Ų1846.1 Ų46.119%0.18623%0.228CC..  trans-61.4163.3177.600000114.3D1397 H1437 Y1438 S1439D1397-G1435 WeakPolarHBondContact OD2-CA 3.42Å; D1397-G1435 PolarHBondContact OD2-N 3.41Å; G1435-H1437 PolarHBondContact O-N 2.81Å; G1435-Y1438 PolarHBondContact O-N 3.05Å; G1435-S1439 WeakPolarHBondContact O-CB 3.17Å; G1435-S1439 PolarHBondContact O-N 2.82Å; G1435-S1439 PolarHBondContact O-OG 2.87Å
1436L75.4Confident86Confident58 Ų5846.2 Ų46.230%0.30423%0.229SC..Hα-helixtrans-61.6-42.3-172.3-175.665.7000112.9Y1438 S1439 R1440 E1620L1436-Y1438 VanDerWaalsContact C-N 3.3Å; L1436-Y1438 PolarHBondContact O-N 3.39Å; L1436-S1439 WeakPolarHBondContact CA-OG 3.42Å; L1436-S1439 PolarHBondContact O-OG 3.04Å; L1436-R1440 VanDerWaalsContact O-CB 3.3Å; L1436-R1440 WeakPolarHBondContact O-CB 3.31Å; L1436-R1440 PolarHBondContact O-N 3.18Å; L1436-E1620 VanDerWaalsContact CD2-CD 3.5Å; L1436-E1620 WeakPolarHBondContact CD2-OE2 3.37Å
1437H75.2Confident86Confident45 Ų4546.8 Ų46.821%0.20824%0.235CC..Hα-helixtrans-57.2-40.4-179.4164.6-116.9000112.8G1435 K1441G1435-H1437 PolarHBondContact O-N 2.81Å; H1437-K1441 PolarHBondContact CE1-NZ 2.82Å; H1437-K1441 VanDerWaalsContact CE1-NZ 3.29Å; H1437-K1441 WeakPolarHBondContact NE2-CE 3.34Å; H1437-K1441 PolarHBondContact NE2-NZ 3.29Å
1438Y81Confident86.1Confident33 Ų3341.9 Ų41.913%0.12922%0.223CC..Hα-helixtrans-87.7-39.2-179.1-80.9-72000112.8L1394 D1397 C1398 V1401 G1435 L1436 R1440 K1441L1394-Y1438 HydrophobicContact CB-CE2 4.21Å; L1394-Y1438 HydrophobicContact CD2-CD2 3.99Å; L1394-Y1438 HydrophobicContact CD2-CE2 3.74Å; L1394-Y1438 WeakPolarHBondContact O-CE2 3.4Å; D1397-Y1438 HydrophobicContact CB-CD2 3.44Å; D1397-Y1438 VanDerWaalsContact CB-CD2 3.44Å; D1397-Y1438 HydrophobicContact CB-CE2 4.03Å; D1397-Y1438 HydrophobicContact CB-CG 3.93Å; C1398-Y1438 HydrophobicContact CB-CE1 3.92Å; C1398-Y1438 HydrophobicContact CB-CE2 4.35Å; C1398-Y1438 WeakPolarHBondContact CB-OH 3.43Å; V1401-Y1438 HydrophobicContact CB-CD1 4.27Å; V1401-Y1438 HydrophobicContact CG1-CD1 4.12Å; G1435-Y1438 PolarHBondContact O-N 3.05Å; L1436-Y1438 VanDerWaalsContact C-N 3.3Å; L1436-Y1438 PolarHBondContact O-N 3.39Å; Y1438-R1440 VanDerWaalsContact C-N 3.28Å; Y1438-R1440 PolarHBondContact O-N 3.35Å; Y1438-K1441 HydrophobicContact CD1-CD 4.35Å; Y1438-K1441 PolarHBondContact O-N 3.44Å
1439S84.2Confident86.1Confident17 Ų1741.8 Ų41.812%0.11922%0.222CC..Hα-helixtrans-64.7-29.8175.9570000113.1G1435 L1436 I1442 N1443G1435-S1439 WeakPolarHBondContact O-CB 3.17Å; G1435-S1439 PolarHBondContact O-N 2.82Å; G1435-S1439 PolarHBondContact O-OG 2.87Å; L1436-S1439 WeakPolarHBondContact CA-OG 3.42Å; L1436-S1439 PolarHBondContact O-OG 3.04Å; S1439-I1442 PolarHBondContact O-N 2.89Å; S1439-N1443 PolarHBondContact O-N 3.45Å; S1439-N1443 PolarHBondContact O-ND2 3.44Å
1440R85Confident86.2Confident74 Ų7445.1 Ų45.128%0.27924%0.24SC..Hα-helixtrans-56-49.5171.1179.9170.4-60.8172.52.1112L1436 Y1438 I1442 N1443 D1444 Q1640L1436-R1440 VanDerWaalsContact O-CB 3.3Å; L1436-R1440 WeakPolarHBondContact O-CB 3.31Å; L1436-R1440 PolarHBondContact O-N 3.18Å; Y1438-R1440 VanDerWaalsContact C-N 3.28Å; Y1438-R1440 PolarHBondContact O-N 3.35Å; R1440-I1442 VanDerWaalsContact C-N 3.28Å; R1440-I1442 PolarHBondContact O-N 2.85Å; R1440-N1443 PolarHBondContact O-N 3.1Å; R1440-D1444 VanDerWaalsContact CG-OD2 3.28Å; R1440-D1444 WeakPolarHBondContact CG-OD2 2.98Å; R1440-D1444 VanDerWaalsContact O-CG 3.28Å; R1440-D1444 PolarHBondContact O-N 3.42Å; R1440-Q1640 VanDerWaalsContact NH1-OE1 3.08Å; R1440-Q1640 VanDerWaalsContact NH2-CD 3.33Å
1441K86.4Confident86.4Confident99 Ų9951 Ų5143%0.4325%0.251SS..Hα-helixtrans-56-40.8-178.4-61.7177.1-174.7175.60112.5H1437 Y1438 L1445H1437-K1441 PolarHBondContact CE1-NZ 2.82Å; H1437-K1441 VanDerWaalsContact CE1-NZ 3.29Å; H1437-K1441 WeakPolarHBondContact NE2-CE 3.34Å; H1437-K1441 PolarHBondContact NE2-NZ 3.29Å; Y1438-K1441 HydrophobicContact CD1-CD 4.35Å; Y1438-K1441 PolarHBondContact O-N 3.44Å; K1441-L1445 PolarHBondContact O-N 3.44Å
1442I91.9Very high86.7Confident0 Ų051.1 Ų51.10%025%0.252CS..Hα-helixtrans-71.2-42.7174.6-62.8-61.9000111.6V1401 M1404 H1405 I1408 L1429 S1439 R1440 D1444 L1445 L1446V1401-I1442 HydrophobicContact CB-CG1 4.33Å; V1401-I1442 HydrophobicContact CG1-CD1 3.96Å; V1401-I1442 HydrophobicContact CG1-CG1 3.83Å; V1401-I1442 HydrophobicContact CG2-CG1 3.89Å; M1404-I1442 HydrophobicContact CB-CD1 3.94Å; M1404-I1442 HydrophobicContact CB-CG1 4.39Å; H1405-I1442 HydrophobicContact CB-CD1 4.05Å; I1408-I1442 HydrophobicContact CD1-CD1 4.21Å; I1408-I1442 HydrophobicContact CD1-CG2 3.87Å; L1429-I1442 HydrophobicContact CD1-CB 4.07Å; L1429-I1442 HydrophobicContact CD1-CG2 3.7Å; L1429-I1442 HydrophobicContact CD2-CB 4.23Å; L1429-I1442 HydrophobicContact CD2-CG1 4.29Å; L1429-I1442 HydrophobicContact CD2-CG2 4.39Å; L1429-I1442 HydrophobicContact CG-CG2 4.24Å; S1439-I1442 PolarHBondContact O-N 2.89Å; R1440-I1442 VanDerWaalsContact C-N 3.28Å; R1440-I1442 PolarHBondContact O-N 2.85Å; I1442-D1444 VanDerWaalsContact C-N 3.34Å; I1442-D1444 PolarHBondContact O-N 2.93Å; I1442-L1445 PolarHBondContact O-N 3.41Å; I1442-L1446 HydrophobicContact CG2-CD1 3.97Å; I1442-L1446 HydrophobicContact CG2-CG 4.11Å; I1442-L1446 WeakPolarHBondContact O-CB 3.29Å; I1442-L1446 VanDerWaalsContact O-CG 3.29Å; I1442-L1446 WeakPolarHBondContact O-CG 3.5Å; I1442-L1446 PolarHBondContact O-N 3Å
1443N90.1Very high86.6Confident53 Ų5355.4 Ų55.428%0.28328%0.275SS..Hα-helixtrans-62.6-39.4178.8-76.6-56.1000112.4S1439 R1440 L1445 L1446 N1447S1439-N1443 PolarHBondContact O-N 3.45Å; S1439-N1443 PolarHBondContact O-ND2 3.44Å; R1440-N1443 PolarHBondContact O-N 3.1Å; N1443-L1445 PolarHBondContact O-N 3.48Å; N1443-L1446 CarbonylContact O-C 3.58Å; N1443-L1446 PolarHBondContact O-N 2.98Å; N1443-N1447 PolarHBondContact O-N 3.18Å; N1443-N1447 PolarHBondContact O-ND2 3.47Å
1444D90Very high86.4Confident90 Ų9052.1 Ų52.148%0.48127%0.266SS..Hα-helixtrans-64.4-39.8176.8-61.8-27000111.6R1440 I1442 N1447 S1448R1440-D1444 VanDerWaalsContact CG-OD2 3.28Å; R1440-D1444 WeakPolarHBondContact CG-OD2 2.98Å; R1440-D1444 VanDerWaalsContact O-CG 3.28Å; R1440-D1444 PolarHBondContact O-N 3.42Å; I1442-D1444 VanDerWaalsContact C-N 3.34Å; I1442-D1444 PolarHBondContact O-N 2.93Å; D1444-N1447 PolarHBondContact O-N 2.9Å; D1444-S1448 PolarHBondContact O-N 3.2Å; D1444-S1448 VanDerWaalsContact O-N 3.11Å; D1444-S1448 PolarHBondContact O-OG 3Å
1445L92.2Very high86.6Confident22 Ų2253.1 Ų53.112%0.11527%0.271CS..Hα-helixtrans-66.2-40.8172.4-173.963.7000112.3I1408 K1441 I1442 N1443 N1447 S1448 L1449 L1452 I1457I1408-L1445 HydrophobicContact CB-CD2 4.22Å; I1408-L1445 HydrophobicContact CD1-CD2 3.99Å; I1408-L1445 HydrophobicContact CG2-CD2 3.94Å; I1408-L1445 HydrophobicContact CG2-CG 4.21Å; K1441-L1445 PolarHBondContact O-N 3.44Å; I1442-L1445 PolarHBondContact O-N 3.41Å; N1443-L1445 PolarHBondContact O-N 3.48Å; L1445-N1447 VanDerWaalsContact C-N 3.27Å; L1445-N1447 PolarHBondContact O-N 2.75Å; L1445-S1448 PolarHBondContact O-N 2.78Å; L1445-S1448 PolarHBondContact O-OG 3.05Å; L1445-S1448 VanDerWaalsContact O-OG 3.1Å; L1445-L1449 WeakPolarHBondContact O-CB 3.47Å; L1445-L1449 PolarHBondContact O-N 3.49Å; L1445-L1449 VanDerWaalsContact O-N 3.12Å; L1445-L1452 HydrophobicContact CD1-CD1 3.81Å; L1445-I1457 HydrophobicContact CD1-CD1 3.89Å; L1445-I1457 HydrophobicContact CD1-CG1 4.19Å; L1445-I1457 HydrophobicContact CD2-CD1 4.36Å; L1445-I1457 HydrophobicContact CG-CD1 4.4Å
1446L92.3Very high87.3Confident2 Ų256.9 Ų56.91%0.0129%0.287CS..Hα-helixtrans-66.2-29174.2-71.1-180000112.1I1408 I1421 R1422 L1425 Q1426 I1442 N1443 L1449I1408-L1446 HydrophobicContact CD1-CD2 3.83Å; I1408-L1446 HydrophobicContact CD1-CG 4.25Å; I1408-L1446 HydrophobicContact CG1-CD2 4.27Å; I1421-L1446 HydrophobicContact CG2-CD2 4.14Å; R1422-L1446 HydrophobicContact CG-CB 4.36Å; R1422-L1446 HydrophobicContact CG-CD2 4.23Å; R1422-L1446 PolarHBondContact NE-O 3.36Å; R1422-L1446 PolarHBondContact NH2-O 2.84Å; L1425-L1446 HydrophobicContact CB-CD1 3.94Å; L1425-L1446 HydrophobicContact CB-CD2 4.16Å; L1425-L1446 HydrophobicContact CG-CD2 4.46Å; Q1426-L1446 HydrophobicContact CG-CD1 4.08Å; I1442-L1446 HydrophobicContact CG2-CD1 3.97Å; I1442-L1446 HydrophobicContact CG2-CG 4.11Å; I1442-L1446 WeakPolarHBondContact O-CB 3.29Å; I1442-L1446 VanDerWaalsContact O-CG 3.29Å; I1442-L1446 WeakPolarHBondContact O-CG 3.5Å; I1442-L1446 PolarHBondContact O-N 3Å; N1443-L1446 CarbonylContact O-C 3.58Å; N1443-L1446 PolarHBondContact O-N 2.98Å; L1446-L1449 HydrophobicContact CD2-CD1 3.97Å; L1446-L1449 VanDerWaalsContact O-CB 3.32Å; L1446-L1449 WeakPolarHBondContact O-CB 3.48Å
1447N90.9Very high88.1Confident110 Ų11054.6 Ų54.659%0.58828%0.275SS*.Hα-helixtrans-69.7-50.8174.3-70-28.4000110.7R1422 N1443 D1444 L1445 L1449R1422-N1447 PolarHBondContact NH2-O 3.25Å; N1443-N1447 PolarHBondContact O-N 3.18Å; N1443-N1447 PolarHBondContact O-ND2 3.47Å; D1444-N1447 PolarHBondContact O-N 2.9Å; L1445-N1447 VanDerWaalsContact C-N 3.27Å; L1445-N1447 PolarHBondContact O-N 2.75Å; N1447-L1449 PolarHBondContact O-N 3.06Å
1448S92.1Very high88.9Confident44 Ų4456.2 Ų56.231%0.30829%0.285SS..Hα-helixtrans-68.1-13.9179.863.70000114.8D1444 L1445 N1450 Y1451D1444-S1448 PolarHBondContact O-N 3.2Å; D1444-S1448 VanDerWaalsContact O-N 3.11Å; D1444-S1448 PolarHBondContact O-OG 3Å; L1445-S1448 PolarHBondContact O-N 2.78Å; L1445-S1448 PolarHBondContact O-OG 3.05Å; L1445-S1448 VanDerWaalsContact O-OG 3.1Å; S1448-N1450 PolarHBondContact O-N 2.76Å; S1448-Y1451 WeakPolarHBondContact O-CD2 3.4Å; S1448-Y1451 PolarHBondContact O-N 2.73Å
1449L90.9Very high89.5Confident0 Ų054.8 Ų54.80%028%0.28CS..THydrogen-bonded Turntrans-53-11-176-162.1131.7000117.2I1408 L1412 R1418 I1421 L1445 L1446 N1447I1408-L1449 HydrophobicContact CG2-CD1 3.66Å; L1412-L1449 HydrophobicContact CD1-CD1 3.89Å; L1412-L1449 HydrophobicContact CD1-CG 4.04Å; L1412-L1449 HydrophobicContact CD2-CD1 4.44Å; L1412-L1449 HydrophobicContact CD2-CD2 4.16Å; L1412-L1449 HydrophobicContact CD2-CG 4.03Å; L1412-L1449 HydrophobicContact CG-CD1 4.29Å; L1412-L1449 HydrophobicContact CG-CG 4.38Å; R1418-L1449 HydrophobicContact CB-CD2 3.6Å; R1418-L1449 WeakPolarHBondContact CD-O 3.22Å; R1418-L1449 HydrophobicContact CG-CD2 3.62Å; R1418-L1449 PolarHBondContact NE-O 2.64Å; I1421-L1449 HydrophobicContact CG2-CD1 3.81Å; L1445-L1449 WeakPolarHBondContact O-CB 3.47Å; L1445-L1449 PolarHBondContact O-N 3.49Å; L1445-L1449 VanDerWaalsContact O-N 3.12Å; L1446-L1449 HydrophobicContact CD2-CD1 3.97Å; L1446-L1449 VanDerWaalsContact O-CB 3.32Å; L1446-L1449 WeakPolarHBondContact O-CB 3.48Å; N1447-L1449 PolarHBondContact O-N 3.06Å
1450N90Very high89.9Confident81 Ų8155.1 Ų55.143%0.43328%0.28SS..THydrogen-bonded Turntrans-78.2-22171-72-6000113.6R1418 R1422 S1448R1418-N1450 VanDerWaalsContact CZ-O 3.28Å; R1418-N1450 PolarHBondContact NH1-O 3.17Å; R1418-N1450 PolarHBondContact NH2-O 2.57Å; R1422-N1450 VanDerWaalsContact CZ-OD1 3.31Å; R1422-N1450 PolarHBondContact NH1-OD1 3.44Å; R1422-N1450 PolarHBondContact NH2-OD1 3.48Å; S1448-N1450 PolarHBondContact O-N 2.76Å
1451Y91.4Very high90Very high186 Ų18651.9 Ų51.973%0.72927%0.269SS*.THydrogen-bonded Turntrans-101.8-11-175-53.2-75000112.9S1448 N1453S1448-Y1451 WeakPolarHBondContact O-CD2 3.4Å; S1448-Y1451 PolarHBondContact O-N 2.73Å; Y1451-N1453 PolarHBondContact O-ND2 3.4Å
1452L90.9Very high89.9Confident32 Ų3248.4 Ų48.417%0.16826%0.258CS..  trans-98139.9-177-56.1173.5000111.8L1412 R1418 L1445 D1456 I1457L1412-L1452 HydrophobicContact CD1-CB 4.34Å; R1418-L1452 PolarHBondContact NH2-O 2.75Å; L1445-L1452 HydrophobicContact CD1-CD1 3.81Å; L1452-D1456 HydrophobicContact CB-CB 4.28Å; L1452-D1456 HydrophobicContact CD2-CB 3.93Å; L1452-I1457 HydrophobicContact CD1-CD1 3.95Å; L1452-I1457 HydrophobicContact CD1-CG1 3.92Å
1453N86.2Confident89.4Confident90 Ų9050.2 Ų50.248%0.48127%0.267SS..  trans-143.1158.6-177.3-44.1-89.7000110.3R1418 Y1451 N1455 D1456R1418-N1453 PolarHBondContact NH2-OD1 3.02Å; Y1451-N1453 PolarHBondContact O-ND2 3.4Å; N1453-N1455 PolarHBondContact O-N 3.21Å; N1453-D1456 PolarHBondContact N-OD2 3.14Å; N1453-D1456 WeakPolarHBondContact O-CB 3.49Å; N1453-D1456 PolarHBondContact O-N 3.44Å; N1453-D1456 VanDerWaalsContact O-OD2 3.1Å
1454G81.2Confident88.9Confident23 Ų2348.4 Ų48.424%0.23726%0.258CS..THydrogen-bonded Turntrans53.9-111.5170.500000113.4M1413M1413-G1454 WeakPolarHBondContact CA-O 3.46Å
1455N86.7Confident88.4Confident38 Ų3845.5 Ų45.520%0.20324%0.241CC..THydrogen-bonded Turntrans-113.225.7179.875-39.6000114.4Y1331 F1333 N1453 I1457Y1331-N1455 WeakPolarHBondContact CE1-ND2 3.46Å; Y1331-N1455 WeakPolarHBondContact CE2-ND2 3.37Å; Y1331-N1455 PolarHBondContact OH-ND2 3.13Å; F1333-N1455 HydrophobicContact CE1-CB 3.84Å; F1333-N1455 HydrophobicContact CZ-CB 4.37Å; N1453-N1455 PolarHBondContact O-N 3.21Å; N1455-I1457 PolarHBondContact O-N 3.25Å
1456D90Very high87.6Confident97 Ų9747.8 Ų47.852%0.51925%0.25SC..  trans-61.1-3.7178.4-73.8-30.2000114.7L1452 N1453L1452-D1456 HydrophobicContact CB-CB 4.28Å; L1452-D1456 HydrophobicContact CD2-CB 3.93Å; N1453-D1456 PolarHBondContact N-OD2 3.14Å; N1453-D1456 WeakPolarHBondContact O-CB 3.49Å; N1453-D1456 PolarHBondContact O-N 3.44Å; N1453-D1456 VanDerWaalsContact O-OD2 3.1Å
1457I92.2Very high86.5Confident10 Ų1048.8 Ų48.85%0.05126%0.255CS..SBendtrans-113.9114.5179.5-59.3172.2000109.4H1011 I1408 A1409 L1412 L1445 L1452 N1455 L1459H1011-I1457 PolarHBondContact CE1-O 3.46Å; H1011-I1457 PolarHBondContact NE2-O 3.02Å; I1408-I1457 HydrophobicContact CG2-CD1 3.9Å; A1409-I1457 HydrophobicContact CB-CB 3.9Å; A1409-I1457 HydrophobicContact CB-CD1 4.43Å; A1409-I1457 HydrophobicContact CB-CG2 3.93Å; L1412-I1457 HydrophobicContact CD1-CD1 3.5Å; L1445-I1457 HydrophobicContact CD1-CD1 3.89Å; L1445-I1457 HydrophobicContact CD1-CG1 4.19Å; L1445-I1457 HydrophobicContact CD2-CD1 4.36Å; L1445-I1457 HydrophobicContact CG-CD1 4.4Å; L1452-I1457 HydrophobicContact CD1-CD1 3.95Å; L1452-I1457 HydrophobicContact CD1-CG1 3.92Å; N1455-I1457 PolarHBondContact O-N 3.25Å; I1457-L1459 PolarHBondContact O-N 3.36Å
1458D92.1Very high85.1Confident80 Ų8044.9 Ų44.943%0.42824%0.235SC..PPolyproline II helixtrans-62.6131.8170.7-74.7-45.2000110.6H923 H1405H923-D1458 HydrophobicContact CB-CB 4.14Å; H1405-D1458 PolarHBondContact NE2-O 3.1Å
1459L93.8Very high83.8Confident3 Ų345.7 Ų45.72%0.01623%0.234CC..PPolyproline II helixtrans-78.3133.3-179.5-58.1179000111.3H923 I924 E1008 H1011 T1012 N1406 A1409 F1410 I1457H923-L1459 CarbonylContact C-O 3.56Å; H923-L1459 WeakPolarHBondContact CA-O 3.35Å; I924-L1459 HydrophobicContact CB-CB 4.28Å; I924-L1459 HydrophobicContact CD1-CB 4.1Å; I924-L1459 HydrophobicContact CG1-CB 4.31Å; I924-L1459 PolarHBondContact N-O 2.73Å; E1008-L1459 HydrophobicContact CB-CD1 4.39Å; E1008-L1459 HydrophobicContact CG-CD1 4.16Å; H1011-L1459 HydrophobicContact CB-CD1 4.04Å; T1012-L1459 HydrophobicContact CG2-CD1 3.87Å; N1406-L1459 HydrophobicContact CB-CD2 4.48Å; N1406-L1459 WeakPolarHBondContact OD1-CA 3.44Å; A1409-L1459 HydrophobicContact CB-CD2 3.54Å; F1410-L1459 HydrophobicContact CD1-CD2 4.18Å; F1410-L1459 HydrophobicContact CE1-CD1 3.71Å; F1410-L1459 HydrophobicContact CE1-CD2 3.62Å; F1410-L1459 HydrophobicContact CE1-CG 4.34Å; F1410-L1459 HydrophobicContact CZ-CD1 4.14Å; F1410-L1459 HydrophobicContact CZ-CD2 4.21Å; I1457-L1459 PolarHBondContact O-N 3.36Å
1460N91.4Very high83.1Confident24 Ų2451 Ų5113%0.12825%0.254CS..BIsolated β-bridgetrans-73.8143.9174.5-671.4000111L922 H923 N1402 H1405 N1406 A1462L922-N1460 WeakPolarHBondContact O-CA 2.9Å; H923-N1460 PolarHBondContact CD2-OD1 3.48Å; N1402-N1460 HydrophobicContact CB-CB 4.34Å; N1402-N1460 PolarHBondContact OD1-ND2 3.29Å; H1405-N1460 PolarHBondContact CD2-OD1 2.78Å; H1405-N1460 PolarHBondContact NE2-OD1 3.49Å; N1406-N1460 PolarHBondContact ND2-O 3Å; N1406-N1460 PolarHBondContact OD1-N 3.42Å; N1460-A1462 PolarHBondContact O-N 2.82Å
1461V87.5Confident82.7Confident6 Ų648 Ų484%0.03624%0.239CC..PPolyproline II helixtrans-68.8129.4174.5179.60000110.5I917 Q921 L922 I924 R1465 F1466I917-V1461 HydrophobicContact CD1-CG1 3.73Å; I917-V1461 HydrophobicContact CG2-CG1 4.42Å; Q921-V1461 HydrophobicContact CG-CG2 4.49Å; Q921-V1461 WeakPolarHBondContact O-CG2 3.42Å; L922-V1461 PolarHBondContact O-N 3.35Å; I924-V1461 HydrophobicContact CG1-CG2 4Å; V1461-R1465 HydrophobicContact CG1-CB 4.3Å; V1461-F1466 HydrophobicContact CB-CE2 4.09Å; V1461-F1466 HydrophobicContact CB-CZ 4.08Å; V1461-F1466 HydrophobicContact CG1-CD2 4.42Å; V1461-F1466 HydrophobicContact CG1-CE2 3.54Å; V1461-F1466 HydrophobicContact CG1-CZ 3.66Å
1462A84.6Confident82.6Confident25 Ų2539.9 Ų39.921%0.20721%0.208CC..PPolyproline II helixtrans-65136.2174.400000111.5N1460 S1464 R1465N1460-A1462 PolarHBondContact O-N 2.82Å; A1462-S1464 VanDerWaalsContact C-N 3.27Å; A1462-S1464 PolarHBondContact O-N 3.08Å; A1462-R1465 HydrophobicContact CB-CG 4.48Å; A1462-R1465 PolarHBondContact O-N 3.1Å; A1462-R1465 VanDerWaalsContact O-N 3.16Å
1463Q81.4Confident82.4Confident38 Ų3842.9 Ų42.918%0.17822%0.221CC..THydrogen-bonded Turntrans-60.6-36-172.3-75.2-177.4-700112.2E1364 L1368 E1395 C1398 R1465 F1466E1364-Q1463 PolarHBondContact OE2-N 2.85Å; L1368-Q1463 HydrophobicContact CD1-CB 3.76Å; L1368-Q1463 HydrophobicContact CD2-CB 4Å; E1395-Q1463 PolarHBondContact O-NE2 2.88Å; C1398-Q1463 PolarHBondContact SG-NE2 2.98Å; Q1463-R1465 PolarHBondContact O-N 3.19Å; Q1463-R1465 VanDerWaalsContact O-N 3.1Å; Q1463-F1466 PolarHBondContact O-N 2.82Å
1464S79.5Confident82.7Confident15 Ų1538.6 Ų38.611%0.10520%0.198CC..Hα-helixtrans-51.6-32.8176.859.90000114.6E1364 A1462 F1466 I1467E1364-S1464 VanDerWaalsContact CD-OG 3.26Å; E1364-S1464 WeakPolarHBondContact OE1-CB 3.39Å; E1364-S1464 PolarHBondContact OE1-OG 3.01Å; E1364-S1464 WeakPolarHBondContact OE2-CB 3.21Å; E1364-S1464 PolarHBondContact OE2-N 2.72Å; E1364-S1464 PolarHBondContact OE2-OG 3.47Å; A1462-S1464 VanDerWaalsContact C-N 3.27Å; A1462-S1464 PolarHBondContact O-N 3.08Å; S1464-F1466 PolarHBondContact O-N 3.48Å; S1464-I1467 PolarHBondContact O-N 3.15Å
1465R79.3Confident83.1Confident30 Ų3040.6 Ų40.611%0.11320%0.199CC..Hα-helixtrans-66.9-24.2-174.8-59.1-165.1-178-168.91.9113.4N912 I917 E1008 V1461 A1462 Q1463N912-R1465 PolarHBondContact O-NH1 2.99Å; I917-R1465 HydrophobicContact CD1-CB 3.62Å; I917-R1465 HydrophobicContact CD1-CG 4.24Å; E1008-R1465 IonicContact OE1-CZ 3.54Å; E1008-R1465 IonicContact OE1-NH1 3.63Å; E1008-R1465 PolarHBondContact OE1-NH1 3.39Å; E1008-R1465 VanDerWaalsContact OE1-NH1 3.16Å; E1008-R1465 IonicContact OE1-NH2 3.13Å; E1008-R1465 PolarHBondContact OE1-NH2 3.03Å; E1008-R1465 IonicContact OE2-CZ 2.66Å; E1008-R1465 IonicContact OE2-NH2 2.76Å; E1008-R1465 PolarHBondContact OE2-NH2 2.85Å; V1461-R1465 HydrophobicContact CG1-CB 4.3Å; A1462-R1465 HydrophobicContact CB-CG 4.48Å; A1462-R1465 PolarHBondContact O-N 3.1Å; A1462-R1465 VanDerWaalsContact O-N 3.16Å; Q1463-R1465 PolarHBondContact O-N 3.19Å; Q1463-R1465 VanDerWaalsContact O-N 3.1Å
1466F74.6Confident83.3Confident70 Ų7042.7 Ų42.731%0.30720%0.204SC..Hα-helixtrans-77.1-23.4178.9-61.7-78.9000112.9I917 V1461 Q1463 S1464 V1468I917-F1466 HydrophobicContact CG2-CE1 3.76Å; I917-F1466 HydrophobicContact CG2-CZ 4.17Å; V1461-F1466 HydrophobicContact CB-CE2 4.09Å; V1461-F1466 HydrophobicContact CB-CZ 4.08Å; V1461-F1466 HydrophobicContact CG1-CD2 4.42Å; V1461-F1466 HydrophobicContact CG1-CE2 3.54Å; V1461-F1466 HydrophobicContact CG1-CZ 3.66Å; Q1463-F1466 PolarHBondContact O-N 2.82Å; S1464-F1466 PolarHBondContact O-N 3.48Å; F1466-V1468 VanDerWaalsContact C-N 3.3Å; F1466-V1468 PolarHBondContact O-N 2.94Å
1467I70.4Confident83.3Confident22 Ų2239.2 Ų39.211%0.11319%0.191CC..Hα-helixtrans-62-38.5175.4-73.1-179.1000111.4L1368 S1464 Q1469 R1470 S1471 E1488L1368-I1467 HydrophobicContact CD2-CD1 3.82Å; L1368-I1467 HydrophobicContact CD2-CG1 4.41Å; L1368-I1467 HydrophobicContact CG-CD1 4.4Å; S1464-I1467 PolarHBondContact O-N 3.15Å; I1467-Q1469 PolarHBondContact O-N 3.43Å; I1467-Q1469 VanDerWaalsContact O-N 3.1Å; I1467-R1470 CarbonylContact O-C 3.54Å; I1467-R1470 WeakPolarHBondContact O-CA 3.27Å; I1467-R1470 PolarHBondContact O-N 2.97Å; I1467-S1471 PolarHBondContact O-N 2.9Å; I1467-E1488 HydrophobicContact CG2-CB 4.26Å; I1467-E1488 VanDerWaalsContact CG2-CD 3.47Å; I1467-E1488 HydrophobicContact CG2-CG 3.75Å
1468V61.9Low83Confident28 Ų2842 Ų4217%0.1721%0.211CC..G310 helixtrans-55.3-36.8-172.4-170.60000112.2T791 L794 F1466 R1470 S1471T791-V1468 HydrophobicContact CG2-CG1 4.14Å; L794-V1468 HydrophobicContact CD1-CB 4.45Å; L794-V1468 HydrophobicContact CD1-CG1 4.07Å; L794-V1468 HydrophobicContact CD1-CG2 4.25Å; F1466-V1468 VanDerWaalsContact C-N 3.3Å; F1466-V1468 PolarHBondContact O-N 2.94Å; V1468-R1470 PolarHBondContact O-N 3.22Å; V1468-S1471 PolarHBondContact O-N 3.42Å
1469Q64.9Low82.7Confident61 Ų6141.8 Ų41.829%0.28521%0.21SC..G310 helixtrans-71.4-7.8-179.9-62.4-171.7-21.700114.4I917 I1467I917-Q1469 PolarHBondContact O-NE2 3.16Å; I1467-Q1469 PolarHBondContact O-N 3.43Å; I1467-Q1469 VanDerWaalsContact O-N 3.1Å
1470R75Confident82.3Confident112 Ų11245.5 Ų45.542%0.42323%0.228SC..G310 helixtrans-121.99.6178.9-57.1-167.8-179.1-163.30.2112.8I1467 V1468 H1472 E1488 V1489I1467-R1470 CarbonylContact O-C 3.54Å; I1467-R1470 WeakPolarHBondContact O-CA 3.27Å; I1467-R1470 PolarHBondContact O-N 2.97Å; V1468-R1470 PolarHBondContact O-N 3.22Å; R1470-H1472 PolarHBondContact O-CD2 2.8Å; R1470-H1472 VanDerWaalsContact O-CD2 3.3Å; R1470-E1488 WeakPolarHBondContact O-CA 3.16Å; R1470-V1489 HydrophobicContact CB-CB 4.27Å; R1470-V1489 WeakPolarHBondContact CB-O 3.36Å; R1470-V1489 WeakPolarHBondContact CD-O 3.48Å; R1470-V1489 PolarHBondContact O-N 3.08Å
1471S82.8Confident81.8Confident19 Ų1948.8 Ų48.813%0.13325%0.252CS..EExtended strand (participates in β ladder)trans-93.1128.7175.7-1650000110.7I1467 V1468 L1487 E1488I1467-S1471 PolarHBondContact O-N 2.9Å; V1468-S1471 PolarHBondContact O-N 3.42Å; S1471-L1487 CarbonylContact C-O 3.41Å; S1471-L1487 WeakPolarHBondContact CA-O 3.39Å; S1471-E1488 VanDerWaalsContact OG-CG 3.29Å; S1471-E1488 WeakPolarHBondContact OG-CG 3.5Å; S1471-E1488 PolarHBondContact OG-OE1 3.2Å
1472H87.7Confident81.3Confident15 Ų1549.5 Ų49.57%0.06926%0.261CS..EExtended strand (participates in β ladder)trans-132.8136-176.4-57.1-85.2000112.2R1470 F1486 L1487 L1546 V1547 Q1550R1470-H1472 PolarHBondContact O-CD2 2.8Å; R1470-H1472 VanDerWaalsContact O-CD2 3.3Å; H1472-F1486 CarbonylContact O-C 3.47Å; H1472-F1486 WeakPolarHBondContact O-CA 3.31Å; H1472-L1487 PolarHBondContact N-O 3.21Å; H1472-L1487 PolarHBondContact O-N 2.93Å; H1472-L1546 WeakPolarHBondContact CE1-CD2 3.35Å; H1472-V1547 HydrophobicContact CB-CG2 3.82Å; H1472-Q1550 PolarHBondContact NE2-OE1 3.1Å
1473E88.2Confident81.2Confident94 Ų9451.7 Ų51.744%0.43927%0.267SS..EExtended strand (participates in β ladder)trans-65.9136.3170.971.6-152134.300111.7L1484 F1486 T1541 K1543E1473-L1484 HydrophobicContact CB-CD1 4.38Å; E1473-F1486 HydrophobicContact CB-CE1 4.21Å; E1473-T1541 VanDerWaalsContact O-CB 3.22Å; E1473-T1541 WeakPolarHBondContact O-CB 3.31Å; E1473-T1541 PolarHBondContact O-OG1 3.35Å; E1473-K1543 IonicContact OE1-NZ 2.89Å; E1473-K1543 PolarHBondContact OE1-NZ 2.71Å
1474A90.6Very high81.4Confident1 Ų152.1 Ų52.11%0.00827%0.27CS..EExtended strand (participates in β ladder)trans-150.9157.1172.800000111.2L1484 I1485 L1487 F1539 Y1540 T1541A1474-L1484 WeakPolarHBondContact O-CD1 3.34Å; A1474-I1485 HydrophobicContact CB-CG1 4.37Å; A1474-I1485 PolarHBondContact N-O 3.22Å; A1474-I1485 WeakPolarHBondContact O-CG1 3.41Å; A1474-I1485 PolarHBondContact O-N 2.69Å; A1474-I1485 VanDerWaalsContact O-O 3.11Å; A1474-L1487 HydrophobicContact CB-CD1 3.63Å; A1474-L1487 HydrophobicContact CB-CG 3.91Å; A1474-F1539 HydrophobicContact CB-CB 4.33Å; A1474-Y1540 CarbonylContact C-O 3.55Å; A1474-Y1540 VanDerWaalsContact CA-O 3.32Å; A1474-Y1540 WeakPolarHBondContact CA-O 3Å; A1474-T1541 HydrophobicContact CB-CG2 4.18Å
1475Y91.5Very high81.7Confident64 Ų6451.4 Ų51.425%0.25127%0.266SS..EExtended strand (participates in β ladder)trans-105.5131.2171.5-64.9-104.5000108.7G1477 D1479 E1480 E1483 L1484 F1539 Y1540Y1475-G1477 PolarHBondContact O-N 3.36Å; Y1475-G1477 VanDerWaalsContact O-N 3.17Å; Y1475-D1479 WeakPolarHBondContact CB-O 3.16Å; Y1475-E1480 HydrophobicContact CD1-CB 4.46Å; Y1475-E1480 HydrophobicContact CD2-CG 4.34Å; Y1475-E1480 HydrophobicContact CE1-CB 4.34Å; Y1475-E1480 HydrophobicContact CE2-CB 4.45Å; Y1475-E1480 HydrophobicContact CE2-CG 4.22Å; Y1475-E1483 CarbonylContact C-O 3.51Å; Y1475-E1483 WeakPolarHBondContact CA-O 3.47Å; Y1475-L1484 HydrophobicContact CD1-CB 4.14Å; Y1475-L1484 HydrophobicContact CD1-CD1 4.42Å; Y1475-L1484 HydrophobicContact CD2-CD1 4.08Å; Y1475-L1484 HydrophobicContact CE1-CB 3.98Å; Y1475-L1484 HydrophobicContact CE1-CD1 4.2Å; Y1475-L1484 HydrophobicContact CE1-CD2 4.44Å; Y1475-L1484 HydrophobicContact CE1-CG 4.43Å; Y1475-L1484 HydrophobicContact CE2-CD1 3.83Å; Y1475-L1484 HydrophobicContact CG-CD1 4.37Å; Y1475-F1539 CarbonylContact O-C 3.55Å; Y1475-F1539 WeakPolarHBondContact O-CA 3.45Å; Y1475-Y1540 HydrophobicContact CD2-CD1 4.07Å; Y1475-Y1540 PolarHBondContact N-O 3.21Å; Y1475-Y1540 PolarHBondContact O-N 2.66Å
1476R89.1Confident82.2Confident83 Ų8352.1 Ų52.131%0.31327%0.269SS..EExtended strand (participates in β ladder)trans-73.1105.7178.5-165.1177.2-163.8151.613.4109.7G1482 E1483 I1485 E1505 D1537 F1539R1476-G1482 WeakPolarHBondContact O-CA 3.29Å; R1476-E1483 PolarHBondContact N-O 2.67Å; R1476-I1485 HydrophobicContact CB-CD1 4.19Å; R1476-E1505 IonicContact CZ-OE2 3.63Å; R1476-E1505 IonicContact NH1-OE2 2.78Å; R1476-E1505 IonicContact NH2-OE2 2.73Å; R1476-E1505 PolarHBondContact NH2-OE2 3.49Å; R1476-E1505 VanDerWaalsContact NH2-OE2 3.11Å; R1476-D1537 IonicContact CZ-OD1 2.73Å; R1476-D1537 IonicContact NE-OD1 2.99Å; R1476-D1537 IonicContact NH2-OD1 3.3Å; R1476-D1537 PolarHBondContact NH2-OD1 2.85Å; R1476-F1539 HydrophobicContact CG-CE1 4.24Å
1477G89.9Confident83Confident23 Ų2348.8 Ų48.824%0.23726%0.255CS..SBendtrans139-162.1-172.600000113.2Y1475 L1538 F1539 Y1540Y1475-G1477 PolarHBondContact O-N 3.36Å; Y1475-G1477 VanDerWaalsContact O-N 3.17Å; G1477-L1538 PolarHBondContact N-O 3.11Å; G1477-L1538 CarbonylContact O-C 3.54Å; G1477-F1539 CarbonylContact O-C 3.47Å; G1477-F1539 PolarHBondContact O-N 2.86Å; G1477-Y1540 PolarHBondContact O-N 2.72Å; G1477-Y1540 VanDerWaalsContact O-N 3.16Å
1478S86.4Confident83.9Confident69 Ų6947.9 Ų47.948%0.48325%0.25SS..SBendtrans-97.1-9.4-178.551.10000114.9Y1540S1478-Y1540 WeakPolarHBondContact O-CD2 3.21Å
1479D87Confident85.2Confident76 Ų7646.6 Ų46.641%0.40624%0.242SC..SBendtrans-149.6-175.4-17768.17.3000112.2Y1475 S1481Y1475-D1479 WeakPolarHBondContact CB-O 3.16Å; D1479-S1481 PolarHBondContact O-N 2.61Å; D1479-S1481 VanDerWaalsContact OD1-CB 3.24Å; D1479-S1481 WeakPolarHBondContact OD1-CB 3.39Å; D1479-S1481 PolarHBondContact OD1-N 2.8Å; D1479-S1481 PolarHBondContact OD1-OG 2.94Å
1480E84.5Confident86.2Confident80 Ų8044.4 Ų44.437%0.37423%0.234SC..THydrogen-bonded Turntrans-75.410.3179.8-58.6-173.9163.200113.8Y1475 Y1540 R1542Y1475-E1480 HydrophobicContact CD1-CB 4.46Å; Y1475-E1480 HydrophobicContact CD2-CG 4.34Å; Y1475-E1480 HydrophobicContact CE1-CB 4.34Å; Y1475-E1480 HydrophobicContact CE2-CB 4.45Å; Y1475-E1480 HydrophobicContact CE2-CG 4.22Å; E1480-Y1540 HydrophobicContact CG-CD1 3.66Å; E1480-Y1540 HydrophobicContact CG-CE1 3.22Å; E1480-Y1540 VanDerWaalsContact OE1-CE1 3.24Å; E1480-Y1540 WeakPolarHBondContact OE1-CE1 3.42Å; E1480-Y1540 PolarHBondContact OE1-OH 2.9Å; E1480-R1542 IonicContact OE1-CZ 2.77Å; E1480-R1542 IonicContact OE1-NE 2.82Å; E1480-R1542 PolarHBondContact OE1-NE 3.24Å; E1480-R1542 IonicContact OE1-NH2 3.76Å; E1480-R1542 PolarHBondContact OE1-NH2 2.88Å; E1480-R1542 IonicContact OE2-NH2 3.67Å; E1480-R1542 PolarHBondContact OE2-NH2 3.45Å
1481S81.4Confident86.5Confident93 Ų9341.5 Ų41.565%0.6523%0.231SC*.THydrogen-bonded Turntrans-88.1-13.1177.375.60000114.4D1479D1479-S1481 PolarHBondContact O-N 2.61Å; D1479-S1481 VanDerWaalsContact OD1-CB 3.24Å; D1479-S1481 WeakPolarHBondContact OD1-CB 3.39Å; D1479-S1481 PolarHBondContact OD1-N 2.8Å; D1479-S1481 PolarHBondContact OD1-OG 2.94Å
1482G77.5Confident86.4Confident22 Ų2241.6 Ų41.623%0.22723%0.23CC..SBendtrans-76.6-179.4-178.100000115.3R1476 L1484R1476-G1482 WeakPolarHBondContact O-CA 3.29Å; G1482-L1484 PolarHBondContact O-N 2.8Å
1483E82.1Confident86.4Confident71 Ų7142.7 Ų42.733%0.33223%0.234SC..EExtended strand (participates in β ladder)trans-66.4126.8171.6-172.6-174.4-178.200110.2Y1475 R1476 I1485Y1475-E1483 CarbonylContact C-O 3.51Å; Y1475-E1483 WeakPolarHBondContact CA-O 3.47Å; R1476-E1483 PolarHBondContact N-O 2.67Å; E1483-I1485 HydrophobicContact CG-CG2 4.11Å
1484L84.6Confident86.5Confident46 Ų4638.2 Ų38.224%0.24121%0.213CC..EExtended strand (participates in β ladder)trans-78.1120.8175.1179.355.2000110.4E1473 A1474 Y1475 G1482 L1499E1473-L1484 HydrophobicContact CB-CD1 4.38Å; A1474-L1484 WeakPolarHBondContact O-CD1 3.34Å; Y1475-L1484 HydrophobicContact CD1-CB 4.14Å; Y1475-L1484 HydrophobicContact CD1-CD1 4.42Å; Y1475-L1484 HydrophobicContact CD2-CD1 4.08Å; Y1475-L1484 HydrophobicContact CE1-CB 3.98Å; Y1475-L1484 HydrophobicContact CE1-CD1 4.2Å; Y1475-L1484 HydrophobicContact CE1-CD2 4.44Å; Y1475-L1484 HydrophobicContact CE1-CG 4.43Å; Y1475-L1484 HydrophobicContact CE2-CD1 3.83Å; Y1475-L1484 HydrophobicContact CG-CD1 4.37Å; G1482-L1484 PolarHBondContact O-N 2.8Å; L1484-L1499 HydrophobicContact CB-CD2 4.35Å; L1484-L1499 HydrophobicContact CB-CG 4.5Å; L1484-L1499 HydrophobicContact CD2-CD2 3.91Å; L1484-L1499 HydrophobicContact CG-CD2 3.81Å; L1484-L1499 HydrophobicContact CG-CG 4.48Å; L1484-L1499 WeakPolarHBondContact O-CG 3.17Å
1485I87Confident86.5Confident1 Ų138.2 Ų38.21%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-132.4168.5-172.654.3166.8000111A1474 R1476 E1483 L1487 I1496 R1497 L1504 F1539A1474-I1485 HydrophobicContact CB-CG1 4.37Å; A1474-I1485 PolarHBondContact N-O 3.22Å; A1474-I1485 WeakPolarHBondContact O-CG1 3.41Å; A1474-I1485 PolarHBondContact O-N 2.69Å; A1474-I1485 VanDerWaalsContact O-O 3.11Å; R1476-I1485 HydrophobicContact CB-CD1 4.19Å; E1483-I1485 HydrophobicContact CG-CG2 4.11Å; I1485-L1487 HydrophobicContact CD1-CD2 3.94Å; I1485-I1496 HydrophobicContact CB-CG2 4.41Å; I1485-I1496 HydrophobicContact CD1-CG2 3.86Å; I1485-R1497 CarbonylContact C-O 3.59Å; I1485-R1497 VanDerWaalsContact CA-O 3.29Å; I1485-R1497 WeakPolarHBondContact CA-O 3.45Å; I1485-R1497 VanDerWaalsContact CB-O 3.28Å; I1485-R1497 WeakPolarHBondContact CB-O 3.42Å; I1485-L1504 HydrophobicContact CG2-CD1 3.98Å; I1485-F1539 HydrophobicContact CD1-CD1 3.72Å; I1485-F1539 HydrophobicContact CD1-CE1 3.6Å
1486F89.1Confident86.4Confident44 Ų4435.1 Ų35.119%0.19320%0.2CC..EExtended strand (participates in β ladder)trans-112134169.9-68-81.4000110.6H1472 E1473 I1496 R1497 L1499H1472-F1486 CarbonylContact O-C 3.47Å; H1472-F1486 WeakPolarHBondContact O-CA 3.31Å; E1473-F1486 HydrophobicContact CB-CE1 4.21Å; F1486-I1496 WeakPolarHBondContact O-CA 3.35Å; F1486-R1497 HydrophobicContact CB-CB 4.38Å; F1486-R1497 PolarHBondContact N-O 2.85Å; F1486-R1497 PolarHBondContact O-N 3.5Å; F1486-L1499 HydrophobicContact CE2-CD2 4.03Å
1487L91.4Very high86.1Confident0 Ų031.4 Ų31.40%019%0.186CC..EExtended strand (participates in β ladder)trans-107.7112.8176.1-60.9-177.7000108.9S1471 H1472 A1474 I1485 L1494 I1496 L1524 F1539S1471-L1487 CarbonylContact C-O 3.41Å; S1471-L1487 WeakPolarHBondContact CA-O 3.39Å; H1472-L1487 PolarHBondContact N-O 3.21Å; H1472-L1487 PolarHBondContact O-N 2.93Å; A1474-L1487 HydrophobicContact CB-CD1 3.63Å; A1474-L1487 HydrophobicContact CB-CG 3.91Å; I1485-L1487 HydrophobicContact CD1-CD2 3.94Å; L1487-L1494 HydrophobicContact CB-CD1 4.29Å; L1487-L1494 HydrophobicContact CD2-CD2 4.28Å; L1487-I1496 HydrophobicContact CD2-CD1 4.34Å; L1487-I1496 HydrophobicContact CD2-CG1 3.93Å; L1487-I1496 HydrophobicContact CD2-CG2 4.35Å; L1487-L1524 HydrophobicContact CD1-CD2 4.36Å; L1487-F1539 HydrophobicContact CD1-CB 4.16Å; L1487-F1539 HydrophobicContact CD1-CD1 4.35Å; L1487-F1539 HydrophobicContact CD1-CD2 4.43Å; L1487-F1539 HydrophobicContact CD1-CG 4.06Å; L1487-F1539 HydrophobicContact CD2-CD1 4.28Å; L1487-F1539 HydrophobicContact CD2-CE1 4.16Å; L1487-F1539 HydrophobicContact CD2-CZ 4.44Å
1488E89.3Confident85.4Confident3 Ų331.8 Ų31.81%0.01418%0.183CC..EExtended strand (participates in β ladder)trans-106.7111.7-177.1-80.2168.7-169.400110.5I1467 R1470 S1471 C1490 L1494 L1495 R1497I1467-E1488 HydrophobicContact CG2-CB 4.26Å; I1467-E1488 VanDerWaalsContact CG2-CD 3.47Å; I1467-E1488 HydrophobicContact CG2-CG 3.75Å; R1470-E1488 WeakPolarHBondContact O-CA 3.16Å; S1471-E1488 VanDerWaalsContact OG-CG 3.29Å; S1471-E1488 WeakPolarHBondContact OG-CG 3.5Å; S1471-E1488 PolarHBondContact OG-OE1 3.2Å; E1488-C1490 PolarHBondContact O-N 3.05Å; E1488-L1494 WeakPolarHBondContact O-CA 3.48Å; E1488-L1495 HydrophobicContact CB-CB 3.75Å; E1488-L1495 PolarHBondContact N-O 2.86Å; E1488-L1495 PolarHBondContact O-N 3.21Å; E1488-R1497 VanDerWaalsContact CD-NE 3.28Å; E1488-R1497 WeakPolarHBondContact OE1-CD 3.48Å; E1488-R1497 IonicContact OE1-NE 2.66Å; E1488-R1497 PolarHBondContact OE1-NE 2.87Å; E1488-R1497 IonicContact OE2-CZ 2.7Å; E1488-R1497 IonicContact OE2-NE 2.66Å; E1488-R1497 PolarHBondContact OE2-NE 2.67Å; E1488-R1497 IonicContact OE2-NH2 3.59Å; E1488-R1497 PolarHBondContact OE2-NH2 3.46Å
1489V89.5Confident84.6Confident1 Ų132.7 Ų32.71%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-86.394.6-175.6-174.50000110.3R1470 L1494 Y1509 V1547 Q1550 I1551R1470-V1489 HydrophobicContact CB-CB 4.27Å; R1470-V1489 WeakPolarHBondContact CB-O 3.36Å; R1470-V1489 WeakPolarHBondContact CD-O 3.48Å; R1470-V1489 PolarHBondContact O-N 3.08Å; V1489-L1494 HydrophobicContact CG2-CD1 3.91Å; V1489-Y1509 WeakPolarHBondContact CG1-OH 3.38Å; V1489-V1547 HydrophobicContact CG2-CG1 4.35Å; V1489-Q1550 HydrophobicContact CB-CB 4.45Å; V1489-Q1550 HydrophobicContact CG1-CB 3.98Å; V1489-Q1550 HydrophobicContact CG2-CB 4.41Å; V1489-I1551 HydrophobicContact CG1-CG1 3.92Å; V1489-I1551 HydrophobicContact CG2-CG1 3.84Å
1490C86.2Confident83.2Confident16 Ų1630.3 Ų30.311%0.10817%0.171CC..  trans-84.1-168.7176.5-57.70000111.1E1488 Y1493 S1554E1488-C1490 PolarHBondContact O-N 3.05Å; C1490-Y1493 WeakPolarHBondContact CA-O 3.35Å; C1490-Y1493 HydrophobicContact CB-CD2 3.78Å; C1490-Y1493 HydrophobicContact CB-CE1 4.5Å; C1490-Y1493 HydrophobicContact CB-CE2 3.61Å; C1490-Y1493 HydrophobicContact CB-CG 4.31Å; C1490-Y1493 VanDerWaalsContact CB-O 3.26Å; C1490-Y1493 WeakPolarHBondContact CB-O 3.47Å; C1490-Y1493 PolarHBondContact N-O 2.91Å; C1490-Y1493 WeakPolarHBondContact SG-CE2 3.43Å; C1490-S1554 PolarHBondContact O-OG 3.47Å
1491S80.6Confident82.2Confident51 Ų5127.1 Ų27.136%0.35716%0.16SC..SBendtrans-68.7-59.9172.939.50000111.6Y1509S1491-Y1509 WeakPolarHBondContact O-CD2 3.45Å; S1491-Y1509 WeakPolarHBondContact O-CE2 3.34Å
1492D80Confident81.5Confident21 Ų2127.8 Ų27.811%0.11215%0.148CC..SBendtrans-101-7.7-166.9-67.51.1000113.9K1388 W1508 Y1509K1388-D1492 WeakPolarHBondContact CE-OD2 3.5Å; K1388-D1492 IonicContact NZ-OD1 2.63Å; K1388-D1492 PolarHBondContact NZ-OD1 3.35Å; K1388-D1492 VanDerWaalsContact NZ-OD1 3.12Å; K1388-D1492 IonicContact NZ-OD2 3.16Å; K1388-D1492 PolarHBondContact NZ-OD2 3.28Å; D1492-W1508 HydrophobicContact CB-CE3 4.48Å; D1492-W1508 HydrophobicContact CB-CZ3 4.34Å; D1492-Y1509 PolarHBondContact O-N 3.22Å; D1492-Y1509 VanDerWaalsContact O-N 3.16Å
1493Y87.9Confident81.6Confident38 Ų3827.1 Ų27.115%0.14914%0.139CC..EExtended strand (participates in β ladder)trans-158.1161.7-172.352.2-94.7000113.7L1368 C1490 L1495 R1506 L1507 W1508 Y1509L1368-Y1493 PolarHBondContact O-OH 3.29Å; C1490-Y1493 WeakPolarHBondContact CA-O 3.35Å; C1490-Y1493 HydrophobicContact CB-CD2 3.78Å; C1490-Y1493 HydrophobicContact CB-CE1 4.5Å; C1490-Y1493 HydrophobicContact CB-CE2 3.61Å; C1490-Y1493 HydrophobicContact CB-CG 4.31Å; C1490-Y1493 VanDerWaalsContact CB-O 3.26Å; C1490-Y1493 WeakPolarHBondContact CB-O 3.47Å; C1490-Y1493 PolarHBondContact N-O 2.91Å; C1490-Y1493 WeakPolarHBondContact SG-CE2 3.43Å; Y1493-L1495 HydrophobicContact CD2-CD1 4.47Å; Y1493-L1495 HydrophobicContact CD2-CG 3.95Å; Y1493-L1495 HydrophobicContact CE2-CD1 3.75Å; Y1493-L1495 HydrophobicContact CE2-CG 3.71Å; Y1493-R1506 HydrophobicContact CD1-CG 4.48Å; Y1493-R1506 HydrophobicContact CD2-CG 3.63Å; Y1493-R1506 HydrophobicContact CE2-CG 4.3Å; Y1493-R1506 HydrophobicContact CG-CG 3.74Å; Y1493-L1507 CarbonylContact C-O 3.09Å; Y1493-L1507 WeakPolarHBondContact CA-O 3.33Å; Y1493-L1507 WeakPolarHBondContact CB-O 3.32Å; Y1493-W1508 AromaticContact CD1-CE3 3.76Å; Y1493-W1508 HydrophobicContact CD1-CE3 3.76Å; Y1493-W1508 HydrophobicContact CD1-CH2 4.17Å; Y1493-W1508 AromaticContact CD1-CZ3 3.47Å; Y1493-W1508 HydrophobicContact CD1-CZ3 3.47Å; Y1493-W1508 VanDerWaalsContact CD1-CZ3 3.47Å; Y1493-W1508 HydrophobicContact CE1-CZ3 4.11Å; Y1493-W1508 HydrophobicContact CG-CE3 4.24Å; Y1493-W1508 HydrophobicContact CG-CZ3 4.33Å; Y1493-Y1509 PolarHBondContact O-OH 3.05Å
1494L90.8Very high81.7Confident0 Ų026.4 Ų26.40%014%0.137CC..EExtended strand (participates in β ladder)trans-97.4121.2164.5-171.171.9000109.1L1487 E1488 V1489 L1507 Y1509 I1526 I1551L1487-L1494 HydrophobicContact CB-CD1 4.29Å; L1487-L1494 HydrophobicContact CD2-CD2 4.28Å; E1488-L1494 WeakPolarHBondContact O-CA 3.48Å; V1489-L1494 HydrophobicContact CG2-CD1 3.91Å; L1494-L1507 HydrophobicContact CB-CB 4.37Å; L1494-L1507 PolarHBondContact N-O 2.04Å; L1494-L1507 PolarHBondContact O-N 2.85Å; L1494-Y1509 HydrophobicContact CB-CE1 3.93Å; L1494-I1526 HydrophobicContact CD2-CD1 3.6Å; L1494-I1551 HydrophobicContact CD1-CD1 3.99Å; L1494-I1551 HydrophobicContact CD1-CG1 4.29Å; L1494-I1551 HydrophobicContact CD2-CD1 4.34Å
1495L89.8Confident81.8Confident0 Ų025.9 Ų25.90%013%0.134CC..EExtended strand (participates in β ladder)trans-86.4136.9169-97.4170.1000110E1488 Y1493 I1503 R1506E1488-L1495 HydrophobicContact CB-CB 3.75Å; E1488-L1495 PolarHBondContact N-O 2.86Å; E1488-L1495 PolarHBondContact O-N 3.21Å; Y1493-L1495 HydrophobicContact CD2-CD1 4.47Å; Y1493-L1495 HydrophobicContact CD2-CG 3.95Å; Y1493-L1495 HydrophobicContact CE2-CD1 3.75Å; Y1493-L1495 HydrophobicContact CE2-CG 3.71Å; L1495-I1503 HydrophobicContact CD2-CB 4.34Å; L1495-I1503 HydrophobicContact CD2-CD1 3.83Å; L1495-I1503 HydrophobicContact CD2-CG1 3.94Å; L1495-I1503 HydrophobicContact CD2-CG2 3.47Å; L1495-I1503 VanDerWaalsContact CD2-CG2 3.47Å; L1495-R1506 HydrophobicContact CD2-CB 4.34Å; L1495-R1506 HydrophobicContact CD2-CG 4.47Å
1496I90.8Very high81.9Confident0 Ų026.4 Ų26.40%014%0.135CC..EExtended strand (participates in β ladder)trans-117.4120.4175.6-54-177000108.6I1485 F1486 L1487 L1504 E1505 F1539I1485-I1496 HydrophobicContact CB-CG2 4.41Å; I1485-I1496 HydrophobicContact CD1-CG2 3.86Å; F1486-I1496 WeakPolarHBondContact O-CA 3.35Å; L1487-I1496 HydrophobicContact CD2-CD1 4.34Å; L1487-I1496 HydrophobicContact CD2-CG1 3.93Å; L1487-I1496 HydrophobicContact CD2-CG2 4.35Å; I1496-L1504 HydrophobicContact CG2-CB 4.46Å; I1496-L1504 HydrophobicContact CG2-CD1 4.44Å; I1496-L1504 PolarHBondContact O-N 3.46Å; I1496-E1505 HydrophobicContact CB-CB 4.24Å; I1496-E1505 HydrophobicContact CD1-CB 4.38Å; I1496-E1505 PolarHBondContact N-O 3.21Å; I1496-E1505 PolarHBondContact O-N 2.98Å; I1496-F1539 HydrophobicContact CD1-CE1 4.35Å; I1496-F1539 HydrophobicContact CD1-CZ 3.91Å
1497R82.1Confident81.9Confident5 Ų524.3 Ų24.32%0.01913%0.126CC..EExtended strand (participates in β ladder)trans-117.7152.5176.3-62.6-177.6-167.1-90.5-11.9112.2I1367 I1485 F1486 E1488 G1501 R1502 I1503I1367-R1497 PolarHBondContact O-NH2 3.03Å; I1485-R1497 CarbonylContact C-O 3.59Å; I1485-R1497 VanDerWaalsContact CA-O 3.29Å; I1485-R1497 WeakPolarHBondContact CA-O 3.45Å; I1485-R1497 VanDerWaalsContact CB-O 3.28Å; I1485-R1497 WeakPolarHBondContact CB-O 3.42Å; F1486-R1497 HydrophobicContact CB-CB 4.38Å; F1486-R1497 PolarHBondContact N-O 2.85Å; F1486-R1497 PolarHBondContact O-N 3.5Å; E1488-R1497 VanDerWaalsContact CD-NE 3.28Å; E1488-R1497 WeakPolarHBondContact OE1-CD 3.48Å; E1488-R1497 IonicContact OE1-NE 2.66Å; E1488-R1497 PolarHBondContact OE1-NE 2.87Å; E1488-R1497 IonicContact OE2-CZ 2.7Å; E1488-R1497 IonicContact OE2-NE 2.66Å; E1488-R1497 PolarHBondContact OE2-NE 2.67Å; E1488-R1497 IonicContact OE2-NH2 3.59Å; E1488-R1497 PolarHBondContact OE2-NH2 3.46Å; R1497-G1501 WeakPolarHBondContact CD-O 3.13Å; R1497-G1501 PolarHBondContact NH1-O 3.24Å; R1497-G1501 VanDerWaalsContact NH1-O 3.08Å; R1497-R1502 VanDerWaalsContact CA-O 3.28Å; R1497-R1502 WeakPolarHBondContact CA-O 3.24Å; R1497-I1503 HydrophobicContact CG-CG1 4.26Å
1498N75.5Confident81.7Confident31 Ų3125.2 Ų25.217%0.16613%0.13CC..EExtended strand (participates in β ladder)trans-80.2178167.673.7-6.7000111.8S1500 G1501 R1502 L1504N1498-S1500 PolarHBondContact ND2-OG 3.24Å; N1498-S1500 PolarHBondContact O-N 2.9Å; N1498-S1500 VanDerWaalsContact O-N 3.08Å; N1498-S1500 WeakPolarHBondContact OD1-CA 3.36Å; N1498-S1500 PolarHBondContact OD1-N 2.99Å; N1498-S1500 PolarHBondContact OD1-OG 2.91Å; N1498-G1501 PolarHBondContact O-N 3.18Å; N1498-G1501 PolarHBondContact OD1-N 3.13Å; N1498-G1501 VanDerWaalsContact OD1-N 3.15Å; N1498-R1502 PolarHBondContact N-O 2.81Å; N1498-R1502 VanDerWaalsContact N-O 3.09Å; N1498-R1502 PolarHBondContact OD1-N 2.92Å; N1498-R1502 PolarHBondContact OD1-O 2.87Å; N1498-L1504 HydrophobicContact CB-CD1 4.01Å; N1498-L1504 HydrophobicContact CB-CD2 4.09Å; N1498-L1504 HydrophobicContact CB-CG 4.05Å
1499L68.8Low81.6Confident87 Ų8725.5 Ų25.546%0.45513%0.131SC..THydrogen-bonded Turntrans-55.9-23.1174.4-74.1178.7000115L1484 F1486L1484-L1499 HydrophobicContact CB-CD2 4.35Å; L1484-L1499 HydrophobicContact CB-CG 4.5Å; L1484-L1499 HydrophobicContact CD2-CD2 3.91Å; L1484-L1499 HydrophobicContact CG-CD2 3.81Å; L1484-L1499 HydrophobicContact CG-CG 4.48Å; L1484-L1499 WeakPolarHBondContact O-CG 3.17Å; F1486-L1499 HydrophobicContact CE2-CD2 4.03Å
1500S58.6Low81.1Confident27 Ų2730.5 Ų30.519%0.18916%0.157CC..THydrogen-bonded Turntrans-93.410.7179.988.20000113.3S801 N1498 R1502S801-S1500 WeakPolarHBondContact CB-O 3.34Å; N1498-S1500 PolarHBondContact ND2-OG 3.24Å; N1498-S1500 PolarHBondContact O-N 2.9Å; N1498-S1500 VanDerWaalsContact O-N 3.08Å; N1498-S1500 WeakPolarHBondContact OD1-CA 3.36Å; N1498-S1500 PolarHBondContact OD1-N 2.99Å; N1498-S1500 PolarHBondContact OD1-OG 2.91Å; S1500-R1502 PolarHBondContact O-N 2.92Å; S1500-R1502 VanDerWaalsContact O-N 3.17Å
1501G63.8Low81Confident13 Ų1332.9 Ų32.913%0.13417%0.167CC..SBendtrans72.11.5179.200000115.6R1497 N1498R1497-G1501 WeakPolarHBondContact CD-O 3.13Å; R1497-G1501 PolarHBondContact NH1-O 3.24Å; R1497-G1501 VanDerWaalsContact NH1-O 3.08Å; N1498-G1501 PolarHBondContact O-N 3.18Å; N1498-G1501 PolarHBondContact OD1-N 3.13Å; N1498-G1501 VanDerWaalsContact OD1-N 3.15Å
1502R66.3Low81.2Confident107 Ų10731.4 Ų31.440%0.40416%0.156SC..  trans-73.5133.8174.4-177-180178.9-169.41108.8D966 R1497 N1498 S1500 L1504D966-R1502 IonicContact OD1-CZ 3.4Å; D966-R1502 VanDerWaalsContact OD1-CZ 3.24Å; D966-R1502 IonicContact OD1-NE 2.73Å; D966-R1502 PolarHBondContact OD1-NE 3.27Å; D966-R1502 IonicContact OD1-NH2 3.54Å; D966-R1502 PolarHBondContact OD1-NH2 2.9Å; R1497-R1502 VanDerWaalsContact CA-O 3.28Å; R1497-R1502 WeakPolarHBondContact CA-O 3.24Å; N1498-R1502 PolarHBondContact N-O 2.81Å; N1498-R1502 VanDerWaalsContact N-O 3.09Å; N1498-R1502 PolarHBondContact OD1-N 2.92Å; N1498-R1502 PolarHBondContact OD1-O 2.87Å; S1500-R1502 PolarHBondContact O-N 2.92Å; S1500-R1502 VanDerWaalsContact O-N 3.17Å; R1502-L1504 PolarHBondContact O-N 2.94Å
1503I79.2Confident81.3Confident7 Ų735 Ų354%0.03617%0.174CC..EExtended strand (participates in β ladder)trans-67.2119.6173.6-58169.7000108.4Y1372 L1495 R1497Y1372-I1503 HydrophobicContact CD1-CG2 3.98Å; Y1372-I1503 HydrophobicContact CD2-CB 3.64Å; Y1372-I1503 HydrophobicContact CD2-CG2 3.48Å; Y1372-I1503 VanDerWaalsContact CD2-CG2 3.48Å; Y1372-I1503 HydrophobicContact CE1-CG2 4.13Å; Y1372-I1503 HydrophobicContact CE2-CB 4.01Å; Y1372-I1503 HydrophobicContact CE2-CG2 3.62Å; Y1372-I1503 WeakPolarHBondContact CE2-O 3.32Å; Y1372-I1503 HydrophobicContact CG-CB 4.13Å; Y1372-I1503 HydrophobicContact CG-CD1 4.33Å; Y1372-I1503 HydrophobicContact CG-CG2 3.67Å; L1495-I1503 HydrophobicContact CD2-CB 4.34Å; L1495-I1503 HydrophobicContact CD2-CD1 3.83Å; L1495-I1503 HydrophobicContact CD2-CG1 3.94Å; L1495-I1503 HydrophobicContact CD2-CG2 3.47Å; L1495-I1503 VanDerWaalsContact CD2-CG2 3.47Å; R1497-I1503 HydrophobicContact CG-CG1 4.26Å
1504L83.7Confident81.2Confident57 Ų5736.9 Ų36.930%0.29819%0.187SC..EExtended strand (participates in β ladder)trans-82.2-45.9171-65.2179.1000109.9Y1372 I1485 I1496 N1498 R1502Y1372-L1504 PolarHBondContact OH-O 3.18Å; I1485-L1504 HydrophobicContact CG2-CD1 3.98Å; I1496-L1504 HydrophobicContact CG2-CB 4.46Å; I1496-L1504 HydrophobicContact CG2-CD1 4.44Å; I1496-L1504 PolarHBondContact O-N 3.46Å; N1498-L1504 HydrophobicContact CB-CD1 4.01Å; N1498-L1504 HydrophobicContact CB-CD2 4.09Å; N1498-L1504 HydrophobicContact CB-CG 4.05Å; R1502-L1504 PolarHBondContact O-N 2.94Å
1505E87.6Confident81.2Confident35 Ų3537.9 Ų37.916%0.16419%0.192CC..EExtended strand (participates in β ladder)trans-156.8146.2-166.6-175.7160.8-153.800110.9R1476 I1496 R1528R1476-E1505 IonicContact CZ-OE2 3.63Å; R1476-E1505 IonicContact NH1-OE2 2.78Å; R1476-E1505 IonicContact NH2-OE2 2.73Å; R1476-E1505 PolarHBondContact NH2-OE2 3.49Å; R1476-E1505 VanDerWaalsContact NH2-OE2 3.11Å; I1496-E1505 HydrophobicContact CB-CB 4.24Å; I1496-E1505 HydrophobicContact CD1-CB 4.38Å; I1496-E1505 PolarHBondContact N-O 3.21Å; I1496-E1505 PolarHBondContact O-N 2.98Å; E1505-R1528 VanDerWaalsContact CD-NH2 3.32Å; E1505-R1528 IonicContact OE1-CZ 3.91Å; E1505-R1528 IonicContact OE1-NH1 2.95Å; E1505-R1528 PolarHBondContact OE1-NH1 2.96Å; E1505-R1528 IonicContact OE1-NH2 3.84Å; E1505-R1528 PolarHBondContact OE1-NH2 3.28Å; E1505-R1528 IonicContact OE2-NH2 2.72Å; E1505-R1528 PolarHBondContact OE2-NH2 3.05Å
1506R89.1Confident81.2Confident11 Ų1140.8 Ų40.84%0.04221%0.21CC..EExtended strand (participates in β ladder)trans-116121.8166.5-171.9-162.2-63113.2-3.1107.5G1369 Y1372 E1376 Y1493 L1495G1369-R1506 PolarHBondContact O-NH2 3.37Å; Y1372-R1506 HydrophobicContact CD1-CB 4.3Å; Y1372-R1506 HydrophobicContact CE1-CB 4.26Å; Y1372-R1506 PolarHBondContact O-NH1 2.83Å; Y1372-R1506 PolarHBondContact O-NH2 2.86Å; E1376-R1506 IonicContact OE2-NH1 2.73Å; Y1493-R1506 HydrophobicContact CD1-CG 4.48Å; Y1493-R1506 HydrophobicContact CD2-CG 3.63Å; Y1493-R1506 HydrophobicContact CE2-CG 4.3Å; Y1493-R1506 HydrophobicContact CG-CG 3.74Å; L1495-R1506 HydrophobicContact CD2-CB 4.34Å; L1495-R1506 HydrophobicContact CD2-CG 4.47Å
1507L89.5Confident81.2Confident0 Ų044.2 Ų44.20%022%0.223CC..EExtended strand (participates in β ladder)trans-110.5111-177.5-170.5166.7000108.3Y1493 L1494 V1512 I1526Y1493-L1507 CarbonylContact C-O 3.09Å; Y1493-L1507 WeakPolarHBondContact CA-O 3.33Å; Y1493-L1507 WeakPolarHBondContact CB-O 3.32Å; L1494-L1507 HydrophobicContact CB-CB 4.37Å; L1494-L1507 PolarHBondContact N-O 2.04Å; L1494-L1507 PolarHBondContact O-N 2.85Å; L1507-V1512 HydrophobicContact CD2-CG2 3.59Å; L1507-I1526 HydrophobicContact CD1-CG2 4.21Å; L1507-I1526 HydrophobicContact CD2-CG2 4.28Å
1508W87.2Confident81.4Confident19 Ų1952.4 Ų52.47%0.07225%0.254CS..EExtended strand (participates in β ladder)trans-81.2145.5-175.3-5997.5000112.3L1377 K1380 D1492 Y1493 D1510 Q1511L1377-W1508 HydrophobicContact CD2-CH2 3.77Å; L1377-W1508 HydrophobicContact CD2-CZ2 4.16Å; K1380-W1508 HydrophobicContact CD-CD2 3.96Å; K1380-W1508 HydrophobicContact CD-CE3 3.87Å; K1380-W1508 HydrophobicContact CD-CH2 3.86Å; K1380-W1508 HydrophobicContact CD-CZ2 3.97Å; K1380-W1508 HydrophobicContact CD-CZ3 3.81Å; D1492-W1508 HydrophobicContact CB-CE3 4.48Å; D1492-W1508 HydrophobicContact CB-CZ3 4.34Å; Y1493-W1508 AromaticContact CD1-CE3 3.76Å; Y1493-W1508 HydrophobicContact CD1-CE3 3.76Å; Y1493-W1508 HydrophobicContact CD1-CH2 4.17Å; Y1493-W1508 AromaticContact CD1-CZ3 3.47Å; Y1493-W1508 HydrophobicContact CD1-CZ3 3.47Å; Y1493-W1508 VanDerWaalsContact CD1-CZ3 3.47Å; Y1493-W1508 HydrophobicContact CE1-CZ3 4.11Å; Y1493-W1508 HydrophobicContact CG-CE3 4.24Å; Y1493-W1508 HydrophobicContact CG-CZ3 4.33Å; W1508-D1510 WeakPolarHBondContact CB-OD1 3.38Å; W1508-D1510 PolarHBondContact O-N 3.13Å; W1508-Q1511 HydrophobicContact CB-CG 4.3Å; W1508-Q1511 WeakPolarHBondContact O-CB 3.44Å; W1508-Q1511 PolarHBondContact O-N 2.89Å
1509Y87.6Confident81.7Confident9 Ų953.4 Ų53.44%0.03526%0.264CS..G310 helixtrans-75.9-21.7-174.4-68.8-34000115V1489 S1491 D1492 Y1493 L1494 Q1511 V1512 I1551 M1555 I1558V1489-Y1509 WeakPolarHBondContact CG1-OH 3.38Å; S1491-Y1509 WeakPolarHBondContact O-CD2 3.45Å; S1491-Y1509 WeakPolarHBondContact O-CE2 3.34Å; D1492-Y1509 PolarHBondContact O-N 3.22Å; D1492-Y1509 VanDerWaalsContact O-N 3.16Å; Y1493-Y1509 PolarHBondContact O-OH 3.05Å; L1494-Y1509 HydrophobicContact CB-CE1 3.93Å; Y1509-Q1511 PolarHBondContact O-N 2.91Å; Y1509-V1512 HydrophobicContact CD1-CG2 4.42Å; Y1509-V1512 PolarHBondContact O-N 2.98Å; Y1509-I1551 HydrophobicContact CD1-CG2 4.25Å; Y1509-I1551 HydrophobicContact CE1-CG2 3.67Å; Y1509-M1555 HydrophobicContact CD1-CG 4.01Å; Y1509-M1555 HydrophobicContact CD2-CG 4.24Å; Y1509-M1555 HydrophobicContact CG-CG 3.81Å; Y1509-I1558 HydrophobicContact CD2-CD1 3.69Å; Y1509-I1558 HydrophobicContact CG-CD1 4.19Å
1510D78.8Confident82.4Confident106 Ų10656.3 Ų56.357%0.56728%0.28SS*.G310 helixtrans-67.7-19.916952.9-8.1000113.1K1380 W1508K1380-D1510 IonicContact NZ-OD1 2.85Å; K1380-D1510 PolarHBondContact NZ-OD1 3.13Å; K1380-D1510 VanDerWaalsContact NZ-OD1 3.16Å; K1380-D1510 IonicContact NZ-OD2 3.31Å; K1380-D1510 PolarHBondContact NZ-OD2 2.86Å; W1508-D1510 WeakPolarHBondContact CB-OD1 3.38Å; W1508-D1510 PolarHBondContact O-N 3.13Å
1511Q83.2Confident83.8Confident66 Ų6657.9 Ų57.931%0.30829%0.288SS..G310 helixtrans-85-9.6174.8-63.1175-26.800113.2W1508 Y1509 I1513 R1528 Q1529W1508-Q1511 HydrophobicContact CB-CG 4.3Å; W1508-Q1511 WeakPolarHBondContact O-CB 3.44Å; W1508-Q1511 PolarHBondContact O-N 2.89Å; Y1509-Q1511 PolarHBondContact O-N 2.91Å; Q1511-I1513 PolarHBondContact O-N 2.7Å; Q1511-R1528 HydrophobicContact CB-CB 4.49Å; Q1511-R1528 CarbonylContact O-C 3.5Å; Q1511-R1528 WeakPolarHBondContact O-CA 3.38Å; Q1511-R1528 VanDerWaalsContact O-CB 3.25Å; Q1511-R1528 WeakPolarHBondContact O-CB 3.48Å; Q1511-Q1529 PolarHBondContact O-N 3.16Å
1512V86Confident85.1Confident21 Ų2160.6 Ų60.613%0.12730%0.297CS..EExtended strand (participates in β ladder)trans-85.3107.3-172.41780000111.5L1507 Y1509 L1515 I1526 M1555L1507-V1512 HydrophobicContact CD2-CG2 3.59Å; Y1509-V1512 HydrophobicContact CD1-CG2 4.42Å; Y1509-V1512 PolarHBondContact O-N 2.98Å; V1512-L1515 HydrophobicContact CG1-CB 4.32Å; V1512-I1526 HydrophobicContact CG1-CG2 4.06Å; V1512-I1526 HydrophobicContact CG2-CG2 3.93Å; V1512-M1555 HydrophobicContact CB-CE 3.77Å; V1512-M1555 HydrophobicContact CG1-CE 3.87Å; V1512-M1555 HydrophobicContact CG1-SD 4.28Å
1513I82Confident86.3Confident95 Ų9557.1 Ų57.149%0.48729%0.286SS..EExtended strand (participates in β ladder)trans-70.8-43174.4-47.7172000110.6Q1511 T1527 Q1529Q1511-I1513 PolarHBondContact O-N 2.7Å; I1513-T1527 HydrophobicContact CD1-CG2 4.38Å; I1513-T1527 PolarHBondContact N-O 2.86Å; I1513-Q1529 HydrophobicContact CD1-CB 3.94Å; I1513-Q1529 HydrophobicContact CG1-CB 4.01Å
1514N85.7Confident87Confident79 Ų7956.8 Ų56.842%0.42229%0.285SS..EExtended strand (participates in β ladder)trans-149.2140.1-174.1-1697.9000111.4T1516 T1527N1514-T1516 WeakPolarHBondContact OD1-CG2 3.41Å; N1514-T1527 PolarHBondContact N-O 3.24Å; N1514-T1527 VanDerWaalsContact N-O 3.07Å; N1514-T1527 PolarHBondContact O-N 2.99Å
1515L90.7Very high87.5Confident20 Ų2054.7 Ų54.711%0.10528%0.275CS..EExtended strand (participates in β ladder)trans-129.4120.5176.3-178.272000108.3V1512 L1524 I1526 Y1548 I1551 M1555V1512-L1515 HydrophobicContact CG1-CB 4.32Å; L1515-L1524 HydrophobicContact CD1-CD1 4.19Å; L1515-I1526 HydrophobicContact CD1-CD1 4.37Å; L1515-I1526 HydrophobicContact CD1-CG1 3.85Å; L1515-Y1548 HydrophobicContact CB-CE2 4.39Å; L1515-Y1548 HydrophobicContact CD2-CD2 3.83Å; L1515-Y1548 HydrophobicContact CD2-CE2 3.87Å; L1515-Y1548 HydrophobicContact CG-CD2 3.72Å; L1515-Y1548 HydrophobicContact CG-CE2 3.76Å; L1515-Y1548 WeakPolarHBondContact O-CE2 3.43Å; L1515-I1551 HydrophobicContact CD1-CG2 4.28Å; L1515-I1551 HydrophobicContact CD2-CB 4.01Å; L1515-I1551 HydrophobicContact CD2-CG2 3.55Å; L1515-M1555 HydrophobicContact CD2-SD 4.12Å
1516T89.1Confident87.7Confident61 Ų6153.2 Ų53.237%0.37427%0.268SS..EExtended strand (participates in β ladder)trans-137.8159.3177.961.60000111.6N1514 C1525N1514-T1516 WeakPolarHBondContact OD1-CG2 3.41Å; T1516-C1525 PolarHBondContact N-O 3.5Å; T1516-C1525 PolarHBondContact O-N 3.01Å
1517Y90.9Very high87.7Confident72 Ų7253.4 Ų53.428%0.28227%0.271SS..EExtended strand (participates in β ladder)trans-143.4157.7172.387.7-80.2000111.1I1523 R1545 Y1548Y1517-I1523 CarbonylContact C-O 3.59Å; Y1517-I1523 VanDerWaalsContact CA-O 3.27Å; Y1517-I1523 WeakPolarHBondContact CA-O 3.42Å; Y1517-R1545 HydrophobicContact CD2-CB 4.07Å; Y1517-R1545 HydrophobicContact CE2-CB 3.52Å; Y1517-R1545 HydrophobicContact CE2-CG 3.92Å; Y1517-Y1548 AromaticContact CD1-CD1 3.52Å; Y1517-Y1548 HydrophobicContact CD1-CD1 3.52Å; Y1517-Y1548 AromaticContact CD1-CD2 3.75Å; Y1517-Y1548 HydrophobicContact CD1-CD2 3.75Å; Y1517-Y1548 HydrophobicContact CD1-CE1 4.05Å; Y1517-Y1548 HydrophobicContact CD1-CE2 4.25Å; Y1517-Y1548 AromaticContact CD1-CG 3.37Å; Y1517-Y1548 HydrophobicContact CD1-CG 3.37Å; Y1517-Y1548 AromaticContact CE1-CD1 3.71Å; Y1517-Y1548 HydrophobicContact CE1-CD1 3.71Å; Y1517-Y1548 HydrophobicContact CE1-CE1 4.1Å; Y1517-Y1548 HydrophobicContact CE1-CG 4.06Å; Y1517-Y1548 HydrophobicContact CG-CD2 4.41Å; Y1517-Y1548 HydrophobicContact CG-CG 4.07Å
1518R85.6Confident87.6Confident177 Ų17753.7 Ų53.767%0.66827%0.272SS*.EExtended strand (participates in β ladder)trans-128.3105.3169.2-78.2-177.2168.2-174.5-2.9109.1N1520 T1521 H1522 I1523R1518-N1520 PolarHBondContact O-N 2.93Å; R1518-T1521 WeakPolarHBondContact CB-OG1 3.19Å; R1518-T1521 PolarHBondContact O-N 3.4Å; R1518-H1522 WeakPolarHBondContact O-CA 3.3Å; R1518-H1522 PolarHBondContact O-N 3.16Å; R1518-I1523 PolarHBondContact N-O 2.88Å; R1518-I1523 PolarHBondContact O-N 3.41Å
1519S82.2Confident87.3Confident53 Ų5357.6 Ų57.637%0.37129%0.29SS..G310 helixtrans-50.8-39.6173.5310000112.8T1521 H1522S1519-T1521 VanDerWaalsContact C-N 3.34Å; S1519-T1521 PolarHBondContact O-N 2.8Å; S1519-H1522 PolarHBondContact O-CE1 3.46Å; S1519-H1522 PolarHBondContact O-N 3.05Å; S1519-H1522 PolarHBondContact O-ND1 3.11Å; S1519-H1522 VanDerWaalsContact O-ND1 3.08Å
1520N84.4Confident86.7Confident148 Ų14859.3 Ų59.379%0.79130%0.3SS*.G310 helixtrans-71.7-29.3-168.1-45.921.4000112.5R1518R1518-N1520 PolarHBondContact O-N 2.93Å
1521T88Confident86.5Confident60 Ų6064.1 Ų64.137%0.36831%0.311SS..G310 helixtrans-1102.8177.660.70000111.9R1518 S1519 I1523 Y1540R1518-T1521 WeakPolarHBondContact CB-OG1 3.19Å; R1518-T1521 PolarHBondContact O-N 3.4Å; S1519-T1521 VanDerWaalsContact C-N 3.34Å; S1519-T1521 PolarHBondContact O-N 2.8Å; T1521-I1523 PolarHBondContact O-N 3.01Å; T1521-Y1540 WeakPolarHBondContact O-CE2 3.09Å
1522H91Very high86Confident69 Ų6967.8 Ų67.832%0.31933%0.333SS..THydrogen-bonded Turntrans55.625.1-173.5-60.3-45.6000115.3R1518 S1519 Y1540 T1541 S1544R1518-H1522 WeakPolarHBondContact O-CA 3.3Å; R1518-H1522 PolarHBondContact O-N 3.16Å; S1519-H1522 PolarHBondContact O-CE1 3.46Å; S1519-H1522 PolarHBondContact O-N 3.05Å; S1519-H1522 PolarHBondContact O-ND1 3.11Å; S1519-H1522 VanDerWaalsContact O-ND1 3.08Å; H1522-Y1540 HydrophobicContact CB-CD2 4.13Å; H1522-Y1540 HydrophobicContact CB-CE1 4.44Å; H1522-Y1540 HydrophobicContact CB-CE2 3.71Å; H1522-T1541 WeakPolarHBondContact CB-O 3.19Å; H1522-T1541 CarbonylContact O-C 3.54Å; H1522-T1541 PolarHBondContact O-N 3.43Å; H1522-S1544 WeakPolarHBondContact CA-OG 3.3Å; H1522-S1544 PolarHBondContact O-OG 3.41Å
1523I91.3Very high85.6Confident34 Ų3473.7 Ų73.717%0.17436%0.359CS..EExtended strand (participates in β ladder)trans-93.8132.1-178.4-64.7171.6000110.7Y1517 R1518 T1521 L1538Y1517-I1523 CarbonylContact C-O 3.59Å; Y1517-I1523 VanDerWaalsContact CA-O 3.27Å; Y1517-I1523 WeakPolarHBondContact CA-O 3.42Å; R1518-I1523 PolarHBondContact N-O 2.88Å; R1518-I1523 PolarHBondContact O-N 3.41Å; T1521-I1523 PolarHBondContact O-N 3.01Å; I1523-L1538 HydrophobicContact CG2-CD2 3.82Å
1524L93.9Very high85.6Confident0 Ų073 Ų730%036%0.363CS..EExtended strand (participates in β ladder)trans-102.8139.8159.6-179.573.5000108.1L1487 L1515 I1526 F1539 V1547 Y1548 I1551L1487-L1524 HydrophobicContact CD1-CD2 4.36Å; L1515-L1524 HydrophobicContact CD1-CD1 4.19Å; L1524-I1526 HydrophobicContact CD2-CD1 4.48Å; L1524-F1539 HydrophobicContact CB-CB 4.35Å; L1524-F1539 PolarHBondContact N-O 2.65Å; L1524-F1539 PolarHBondContact O-N 2.97Å; L1524-V1547 HydrophobicContact CD2-CB 4.35Å; L1524-V1547 HydrophobicContact CD2-CG1 3.72Å; L1524-Y1548 HydrophobicContact CD1-CD2 4.39Å; L1524-I1551 HydrophobicContact CD2-CD1 4.26Å
1525C92.9Very high85.7Confident14 Ų1473 Ų7310%0.09536%0.36CS..EExtended strand (participates in β ladder)trans-131.3127.3179.1178.60000109.7T1516 M1536 L1538T1516-C1525 PolarHBondContact N-O 3.5Å; T1516-C1525 PolarHBondContact O-N 3.01Å; C1525-M1536 VanDerWaalsContact SG-CG 3.57Å; C1525-L1538 HydrophobicContact CB-CD2 3.75Å
1526I92.9Very high85.5Confident3 Ų377.7 Ų77.72%0.01538%0.383CS..EExtended strand (participates in β ladder)trans-120116178.2-48.8-172.8000107.6L1494 L1507 V1512 L1515 L1524 D1537 F1539 I1551L1494-I1526 HydrophobicContact CD2-CD1 3.6Å; L1507-I1526 HydrophobicContact CD1-CG2 4.21Å; L1507-I1526 HydrophobicContact CD2-CG2 4.28Å; V1512-I1526 HydrophobicContact CG1-CG2 4.06Å; V1512-I1526 HydrophobicContact CG2-CG2 3.93Å; L1515-I1526 HydrophobicContact CD1-CD1 4.37Å; L1515-I1526 HydrophobicContact CD1-CG1 3.85Å; L1524-I1526 HydrophobicContact CD2-CD1 4.48Å; I1526-D1537 PolarHBondContact N-O 3.34Å; I1526-D1537 PolarHBondContact O-N 3.41Å; I1526-F1539 HydrophobicContact CD1-CD2 4.25Å; I1526-F1539 HydrophobicContact CD1-CE2 3.89Å; I1526-F1539 HydrophobicContact CG1-CD2 4.31Å; I1526-F1539 HydrophobicContact CG1-CE2 4.15Å; I1526-I1551 HydrophobicContact CD1-CD1 4.48Å
1527T87.9Confident85.6Confident16 Ų1675.2 Ų75.210%0.09837%0.368CS..EExtended strand (participates in β ladder)trans-101.4126.5170-44.50000108.5I1513 N1514 S1534 Q1535I1513-T1527 HydrophobicContact CD1-CG2 4.38Å; I1513-T1527 PolarHBondContact N-O 2.86Å; N1514-T1527 PolarHBondContact N-O 3.24Å; N1514-T1527 VanDerWaalsContact N-O 3.07Å; N1514-T1527 PolarHBondContact O-N 2.99Å; T1527-S1534 WeakPolarHBondContact CG2-OG 3.42Å; T1527-Q1535 CarbonylContact C-O 3.57Å; T1527-Q1535 WeakPolarHBondContact CA-O 3.22Å
1528R87.8Confident85.7Confident6 Ų674.8 Ų74.82%0.02337%0.37CS..EExtended strand (participates in β ladder)trans-133.2152.2-175.856.5169.5161.9159.1-4.2112.5E1505 Q1511 I1530 S1534 Q1535 D1537E1505-R1528 VanDerWaalsContact CD-NH2 3.32Å; E1505-R1528 IonicContact OE1-CZ 3.91Å; E1505-R1528 IonicContact OE1-NH1 2.95Å; E1505-R1528 PolarHBondContact OE1-NH1 2.96Å; E1505-R1528 IonicContact OE1-NH2 3.84Å; E1505-R1528 PolarHBondContact OE1-NH2 3.28Å; E1505-R1528 IonicContact OE2-NH2 2.72Å; E1505-R1528 PolarHBondContact OE2-NH2 3.05Å; Q1511-R1528 HydrophobicContact CB-CB 4.49Å; Q1511-R1528 CarbonylContact O-C 3.5Å; Q1511-R1528 WeakPolarHBondContact O-CA 3.38Å; Q1511-R1528 VanDerWaalsContact O-CB 3.25Å; Q1511-R1528 WeakPolarHBondContact O-CB 3.48Å; R1528-I1530 HydrophobicContact CG-CD1 4.47Å; R1528-I1530 HydrophobicContact CG-CG1 4.34Å; R1528-S1534 CarbonylContact O-C 3.57Å; R1528-S1534 WeakPolarHBondContact O-CA 3.37Å; R1528-Q1535 HydrophobicContact CG-CB 4.26Å; R1528-Q1535 PolarHBondContact N-O 3.06Å; R1528-Q1535 VanDerWaalsContact NH2-NE2 3.15Å; R1528-Q1535 PolarHBondContact O-N 2.79Å; R1528-D1537 IonicContact CZ-OD2 3.36Å; R1528-D1537 VanDerWaalsContact CZ-OD2 3.23Å; R1528-D1537 IonicContact NE-OD2 3.2Å; R1528-D1537 PolarHBondContact NE-OD2 3.41Å; R1528-D1537 IonicContact NH2-OD1 2.66Å; R1528-D1537 IonicContact NH2-OD2 3.13Å; R1528-D1537 PolarHBondContact NH2-OD2 3.42Å
1529Q80.9Confident86Confident100 Ų10066.4 Ų66.447%0.46734%0.338SS..EExtended strand (participates in β ladder)trans-94130.3172-172.6156.4-13.500110Q1511 I1513 Y1531Q1511-Q1529 PolarHBondContact O-N 3.16Å; I1513-Q1529 HydrophobicContact CD1-CB 3.94Å; I1513-Q1529 HydrophobicContact CG1-CB 4.01Å; Q1529-Y1531 WeakPolarHBondContact CG-O 3.5Å; Q1529-Y1531 PolarHBondContact NE2-O 2.99Å
1530I75.8Confident86.6Confident45 Ų4565.4 Ų65.423%0.23133%0.327CS..EExtended strand (participates in β ladder)trans-129.5108.2174.3-49.7179.9000106.2R1528 D1532 H1533 Q1535R1528-I1530 HydrophobicContact CG-CD1 4.47Å; R1528-I1530 HydrophobicContact CG-CG1 4.34Å; I1530-D1532 PolarHBondContact O-N 3.11Å; I1530-H1533 PolarHBondContact N-O 2.83Å; I1530-H1533 PolarHBondContact O-N 3.07Å; I1530-H1533 VanDerWaalsContact O-N 3.08Å; I1530-Q1535 HydrophobicContact CD1-CB 4.14Å
1531Y74.6Confident87Confident207 Ų20758.6 Ų58.681%0.81229%0.29SS*.THydrogen-bonded Turntrans50.9-127.3-164.1-46-72.5000109.9Q1529 H1533Q1529-Y1531 WeakPolarHBondContact CG-O 3.5Å; Q1529-Y1531 PolarHBondContact NE2-O 2.99Å; Y1531-H1533 VanDerWaalsContact C-N 3.31Å; Y1531-H1533 PolarHBondContact O-N 3.11Å
1532D72.4Confident87Confident144 Ų14463.9 Ų63.977%0.7730%0.303SS*.THydrogen-bonded Turntrans-91.117.2-179.9-54-55000113.7I1530I1530-D1532 PolarHBondContact O-N 3.11Å
1533H77.6Confident86.9Confident144 Ų14464 Ų6467%0.66730%0.303SS*.EExtended strand (participates in β ladder)trans-124.1130.3-173.3-64.6-7.7000112.5I1530 Y1531I1530-H1533 PolarHBondContact N-O 2.83Å; I1530-H1533 PolarHBondContact O-N 3.07Å; I1530-H1533 VanDerWaalsContact O-N 3.08Å; Y1531-H1533 VanDerWaalsContact C-N 3.31Å; Y1531-H1533 PolarHBondContact O-N 3.11Å
1534S82.9Confident86.9Confident82 Ų8262.5 Ų62.557%0.57330%0.296SS*.EExtended strand (participates in β ladder)trans-88105.9176.41630000110.9T1527 R1528T1527-S1534 WeakPolarHBondContact CG2-OG 3.42Å; R1528-S1534 CarbonylContact O-C 3.57Å; R1528-S1534 WeakPolarHBondContact O-CA 3.37Å
1535Q86.7Confident86.8Confident78 Ų7869.4 Ų69.436%0.36432%0.322SS..EExtended strand (participates in β ladder)trans-90.2141.6171.4177.7169.3-26.900111T1527 R1528 I1530 D1537T1527-Q1535 CarbonylContact C-O 3.57Å; T1527-Q1535 WeakPolarHBondContact CA-O 3.22Å; R1528-Q1535 HydrophobicContact CG-CB 4.26Å; R1528-Q1535 PolarHBondContact N-O 3.06Å; R1528-Q1535 VanDerWaalsContact NH2-NE2 3.15Å; R1528-Q1535 PolarHBondContact O-N 2.79Å; I1530-Q1535 HydrophobicContact CD1-CB 4.14Å; Q1535-D1537 PolarHBondContact NE2-OD1 3.41Å; Q1535-D1537 VanDerWaalsContact NE2-OD1 3.09Å; Q1535-D1537 PolarHBondContact NE2-OD2 2.89Å
1536M87.5Confident86.7Confident118 Ų11872.5 Ų72.558%0.58134%0.337SS*.EExtended strand (participates in β ladder)trans-116114.6172.4-172.4-173-59.500109.8C1525C1525-M1536 VanDerWaalsContact SG-CG 3.57Å
1537D89.5Confident86.7Confident9 Ų972.4 Ų72.45%0.04834%0.336CS..EExtended strand (participates in β ladder)trans-101.1127.4174.1-70.1-83000110.2R1476 I1526 R1528 Q1535 F1539R1476-D1537 IonicContact CZ-OD1 2.73Å; R1476-D1537 IonicContact NE-OD1 2.99Å; R1476-D1537 IonicContact NH2-OD1 3.3Å; R1476-D1537 PolarHBondContact NH2-OD1 2.85Å; I1526-D1537 PolarHBondContact N-O 3.34Å; I1526-D1537 PolarHBondContact O-N 3.41Å; R1528-D1537 IonicContact CZ-OD2 3.36Å; R1528-D1537 VanDerWaalsContact CZ-OD2 3.23Å; R1528-D1537 IonicContact NE-OD2 3.2Å; R1528-D1537 PolarHBondContact NE-OD2 3.41Å; R1528-D1537 IonicContact NH2-OD1 2.66Å; R1528-D1537 IonicContact NH2-OD2 3.13Å; R1528-D1537 PolarHBondContact NH2-OD2 3.42Å; Q1535-D1537 PolarHBondContact NE2-OD1 3.41Å; Q1535-D1537 VanDerWaalsContact NE2-OD1 3.09Å; Q1535-D1537 PolarHBondContact NE2-OD2 2.89Å; D1537-F1539 HydrophobicContact CB-CE2 3.67Å; D1537-F1539 HydrophobicContact CB-CZ 3.76Å
1538L92.9Very high86.9Confident64 Ų6473.6 Ų73.634%0.33534%0.339SS..EExtended strand (participates in β ladder)trans-106.7137178.2-72.3166.8000110.4G1477 I1523 C1525G1477-L1538 PolarHBondContact N-O 3.11Å; G1477-L1538 CarbonylContact O-C 3.54Å; I1523-L1538 HydrophobicContact CG2-CD2 3.82Å; C1525-L1538 HydrophobicContact CB-CD2 3.75Å
1539F93.8Very high87.1Confident0 Ų077.4 Ų77.40%036%0.358CS..EExtended strand (participates in β ladder)trans-134.7117.2179.7-57.3-72.4000110.6A1474 Y1475 R1476 G1477 I1485 L1487 I1496 L1524 I1526 D1537A1474-F1539 HydrophobicContact CB-CB 4.33Å; Y1475-F1539 CarbonylContact O-C 3.55Å; Y1475-F1539 WeakPolarHBondContact O-CA 3.45Å; R1476-F1539 HydrophobicContact CG-CE1 4.24Å; G1477-F1539 CarbonylContact O-C 3.47Å; G1477-F1539 PolarHBondContact O-N 2.86Å; I1485-F1539 HydrophobicContact CD1-CD1 3.72Å; I1485-F1539 HydrophobicContact CD1-CE1 3.6Å; L1487-F1539 HydrophobicContact CD1-CB 4.16Å; L1487-F1539 HydrophobicContact CD1-CD1 4.35Å; L1487-F1539 HydrophobicContact CD1-CD2 4.43Å; L1487-F1539 HydrophobicContact CD1-CG 4.06Å; L1487-F1539 HydrophobicContact CD2-CD1 4.28Å; L1487-F1539 HydrophobicContact CD2-CE1 4.16Å; L1487-F1539 HydrophobicContact CD2-CZ 4.44Å; I1496-F1539 HydrophobicContact CD1-CE1 4.35Å; I1496-F1539 HydrophobicContact CD1-CZ 3.91Å; L1524-F1539 HydrophobicContact CB-CB 4.35Å; L1524-F1539 PolarHBondContact N-O 2.65Å; L1524-F1539 PolarHBondContact O-N 2.97Å; I1526-F1539 HydrophobicContact CD1-CD2 4.25Å; I1526-F1539 HydrophobicContact CD1-CE2 3.89Å; I1526-F1539 HydrophobicContact CG1-CD2 4.31Å; I1526-F1539 HydrophobicContact CG1-CE2 4.15Å; D1537-F1539 HydrophobicContact CB-CE2 3.67Å; D1537-F1539 HydrophobicContact CB-CZ 3.76Å
1540Y94.4Very high87.5Confident33 Ų3374.9 Ų74.913%0.12935%0.346CS..EExtended strand (participates in β ladder)trans-81.7118.5169.3177.6-81000109.4A1474 Y1475 G1477 S1478 E1480 T1521 H1522 R1542A1474-Y1540 CarbonylContact C-O 3.55Å; A1474-Y1540 VanDerWaalsContact CA-O 3.32Å; A1474-Y1540 WeakPolarHBondContact CA-O 3Å; Y1475-Y1540 HydrophobicContact CD2-CD1 4.07Å; Y1475-Y1540 PolarHBondContact N-O 3.21Å; Y1475-Y1540 PolarHBondContact O-N 2.66Å; G1477-Y1540 PolarHBondContact O-N 2.72Å; G1477-Y1540 VanDerWaalsContact O-N 3.16Å; S1478-Y1540 WeakPolarHBondContact O-CD2 3.21Å; E1480-Y1540 HydrophobicContact CG-CD1 3.66Å; E1480-Y1540 HydrophobicContact CG-CE1 3.22Å; E1480-Y1540 VanDerWaalsContact OE1-CE1 3.24Å; E1480-Y1540 WeakPolarHBondContact OE1-CE1 3.42Å; E1480-Y1540 PolarHBondContact OE1-OH 2.9Å; T1521-Y1540 WeakPolarHBondContact O-CE2 3.09Å; H1522-Y1540 HydrophobicContact CB-CD2 4.13Å; H1522-Y1540 HydrophobicContact CB-CE1 4.44Å; H1522-Y1540 HydrophobicContact CB-CE2 3.71Å; Y1540-R1542 HydrophobicContact CE1-CG 4.28Å
1541T91.5Very high88.2Confident4 Ų472.9 Ų72.93%0.02534%0.335CS..  trans-150.2131.2170.61750000111.7E1473 A1474 H1522 K1543 S1544 V1547E1473-T1541 VanDerWaalsContact O-CB 3.22Å; E1473-T1541 WeakPolarHBondContact O-CB 3.31Å; E1473-T1541 PolarHBondContact O-OG1 3.35Å; A1474-T1541 HydrophobicContact CB-CG2 4.18Å; H1522-T1541 WeakPolarHBondContact CB-O 3.19Å; H1522-T1541 CarbonylContact O-C 3.54Å; H1522-T1541 PolarHBondContact O-N 3.43Å; T1541-K1543 PolarHBondContact O-N 3.22Å; T1541-K1543 PolarHBondContact OG1-N 3.02Å; T1541-S1544 WeakPolarHBondContact O-CB 3.28Å; T1541-S1544 PolarHBondContact O-N 3.01Å; T1541-S1544 PolarHBondContact O-OG 3.05Å; T1541-V1547 HydrophobicContact CG2-CG2 4.44Å
1542R88.8Confident88.9Confident171 Ų17167.8 Ų67.865%0.64532%0.317SS*.THydrogen-bonded Turntrans-59.3-19.9176.4-57.9178.3-172.5-1790.8112E1480 Y1540E1480-R1542 IonicContact OE1-CZ 2.77Å; E1480-R1542 IonicContact OE1-NE 2.82Å; E1480-R1542 PolarHBondContact OE1-NE 3.24Å; E1480-R1542 IonicContact OE1-NH2 3.76Å; E1480-R1542 PolarHBondContact OE1-NH2 2.88Å; E1480-R1542 IonicContact OE2-NH2 3.67Å; E1480-R1542 PolarHBondContact OE2-NH2 3.45Å; Y1540-R1542 HydrophobicContact CE1-CG 4.28Å
1543K89.7Confident89.5Confident72 Ų7266.7 Ų66.731%0.31331%0.308SS..THydrogen-bonded Turntrans-91.74.9175.4-63.9169179.4152.90114E1473 T1541 R1545 L1546 V1547E1473-K1543 IonicContact OE1-NZ 2.89Å; E1473-K1543 PolarHBondContact OE1-NZ 2.71Å; T1541-K1543 PolarHBondContact O-N 3.22Å; T1541-K1543 PolarHBondContact OG1-N 3.02Å; K1543-R1545 VanDerWaalsContact C-N 3.31Å; K1543-R1545 PolarHBondContact O-N 3.37Å; K1543-L1546 WeakPolarHBondContact O-CA 3.44Å; K1543-L1546 WeakPolarHBondContact O-CB 3.28Å; K1543-L1546 PolarHBondContact O-N 3.09Å; K1543-V1547 HydrophobicContact CB-CG2 4.2Å; K1543-V1547 PolarHBondContact O-N 3.39Å; K1543-V1547 VanDerWaalsContact O-N 3.09Å
1544S91.1Very high89.8Confident2 Ų260.2 Ų60.21%0.01428%0.278CS..Hα-helixtrans-44.5-41.8-172.137.80000116.1H1522 T1541 L1546 Y1548H1522-S1544 WeakPolarHBondContact CA-OG 3.3Å; H1522-S1544 PolarHBondContact O-OG 3.41Å; T1541-S1544 WeakPolarHBondContact O-CB 3.28Å; T1541-S1544 PolarHBondContact O-N 3.01Å; T1541-S1544 PolarHBondContact O-OG 3.05Å; S1544-L1546 PolarHBondContact O-N 3.33Å; S1544-Y1548 VanDerWaalsContact O-CB 3.22Å; S1544-Y1548 WeakPolarHBondContact O-CB 3.31Å; S1544-Y1548 PolarHBondContact O-N 2.67Å
1545R91.8Very high89.8Confident145 Ų14558 Ų5855%0.54726%0.26SS..Hα-helixtrans-60.5-43.5174.4176.6172.7171166.72112.8Y1517 K1543 Q1549Y1517-R1545 HydrophobicContact CD2-CB 4.07Å; Y1517-R1545 HydrophobicContact CE2-CB 3.52Å; Y1517-R1545 HydrophobicContact CE2-CG 3.92Å; K1543-R1545 VanDerWaalsContact C-N 3.31Å; K1543-R1545 PolarHBondContact O-N 3.37Å; R1545-Q1549 VanDerWaalsContact O-CG 3.31Å; R1545-Q1549 WeakPolarHBondContact O-CG 3.43Å; R1545-Q1549 PolarHBondContact O-N 2.98Å
1546L90.9Very high89.1Confident80 Ų8061 Ų6142%0.41927%0.271SS..Hα-helixtrans-72.9-43-177.6-175.7155.7000110.6H1472 K1543 S1544 Y1548 Q1549 Q1550H1472-L1546 WeakPolarHBondContact CE1-CD2 3.35Å; K1543-L1546 WeakPolarHBondContact O-CA 3.44Å; K1543-L1546 WeakPolarHBondContact O-CB 3.28Å; K1543-L1546 PolarHBondContact O-N 3.09Å; S1544-L1546 PolarHBondContact O-N 3.33Å; L1546-Y1548 VanDerWaalsContact C-N 3.33Å; L1546-Y1548 PolarHBondContact O-N 2.82Å; L1546-Q1549 PolarHBondContact O-N 2.86Å; L1546-Q1549 VanDerWaalsContact O-N 3.16Å; L1546-Q1550 HydrophobicContact CD2-CG 4.21Å; L1546-Q1550 PolarHBondContact O-N 3.05Å
1547V91.2Very high87.9Confident0 Ų060.8 Ų60.80%027%0.273CS..Hα-helixtrans-59.2-45.7173.9-175.50000110.5H1472 V1489 L1524 T1541 K1543 Q1549 Q1550 I1551H1472-V1547 HydrophobicContact CB-CG2 3.82Å; V1489-V1547 HydrophobicContact CG2-CG1 4.35Å; L1524-V1547 HydrophobicContact CD2-CB 4.35Å; L1524-V1547 HydrophobicContact CD2-CG1 3.72Å; T1541-V1547 HydrophobicContact CG2-CG2 4.44Å; K1543-V1547 HydrophobicContact CB-CG2 4.2Å; K1543-V1547 PolarHBondContact O-N 3.39Å; K1543-V1547 VanDerWaalsContact O-N 3.09Å; V1547-Q1549 VanDerWaalsContact C-N 3.34Å; V1547-Q1549 PolarHBondContact O-N 2.87Å; V1547-Q1550 PolarHBondContact O-N 3.34Å; V1547-I1551 HydrophobicContact CG1-CD1 3.79Å; V1547-I1551 HydrophobicContact CG1-CG1 4.37Å; V1547-I1551 WeakPolarHBondContact O-CG1 3.44Å; V1547-I1551 PolarHBondContact O-N 2.98Å
1548Y93.3Very high86.7Confident41 Ų4161.6 Ų61.616%0.16128%0.277CS..Hα-helixtrans-55.9-45.3173.3173.9-93000112.7L1515 Y1517 L1524 S1544 L1546 K1552L1515-Y1548 HydrophobicContact CB-CE2 4.39Å; L1515-Y1548 HydrophobicContact CD2-CD2 3.83Å; L1515-Y1548 HydrophobicContact CD2-CE2 3.87Å; L1515-Y1548 HydrophobicContact CG-CD2 3.72Å; L1515-Y1548 HydrophobicContact CG-CE2 3.76Å; L1515-Y1548 WeakPolarHBondContact O-CE2 3.43Å; Y1517-Y1548 AromaticContact CD1-CD1 3.52Å; Y1517-Y1548 HydrophobicContact CD1-CD1 3.52Å; Y1517-Y1548 AromaticContact CD1-CD2 3.75Å; Y1517-Y1548 HydrophobicContact CD1-CD2 3.75Å; Y1517-Y1548 HydrophobicContact CD1-CE1 4.05Å; Y1517-Y1548 HydrophobicContact CD1-CE2 4.25Å; Y1517-Y1548 AromaticContact CD1-CG 3.37Å; Y1517-Y1548 HydrophobicContact CD1-CG 3.37Å; Y1517-Y1548 AromaticContact CE1-CD1 3.71Å; Y1517-Y1548 HydrophobicContact CE1-CD1 3.71Å; Y1517-Y1548 HydrophobicContact CE1-CE1 4.1Å; Y1517-Y1548 HydrophobicContact CE1-CG 4.06Å; Y1517-Y1548 HydrophobicContact CG-CD2 4.41Å; Y1517-Y1548 HydrophobicContact CG-CG 4.07Å; L1524-Y1548 HydrophobicContact CD1-CD2 4.39Å; S1544-Y1548 VanDerWaalsContact O-CB 3.22Å; S1544-Y1548 WeakPolarHBondContact O-CB 3.31Å; S1544-Y1548 PolarHBondContact O-N 2.67Å; L1546-Y1548 VanDerWaalsContact C-N 3.33Å; L1546-Y1548 PolarHBondContact O-N 2.82Å; Y1548-K1552 HydrophobicContact CE1-CD 3.8Å; Y1548-K1552 WeakPolarHBondContact O-CB 3.22Å; Y1548-K1552 PolarHBondContact O-N 3.3Å; Y1548-K1552 PolarHBondContact OH-NZ 3.1Å
1549Q91.8Very high84.7Confident87 Ų8761.5 Ų61.541%0.40728%0.282SS..Hα-helixtrans-64.8-45.6179.5-73.8179.8-101.900111.8R1545 L1546 V1547 K1552 E1553R1545-Q1549 VanDerWaalsContact O-CG 3.31Å; R1545-Q1549 WeakPolarHBondContact O-CG 3.43Å; R1545-Q1549 PolarHBondContact O-N 2.98Å; L1546-Q1549 PolarHBondContact O-N 2.86Å; L1546-Q1549 VanDerWaalsContact O-N 3.16Å; V1547-Q1549 VanDerWaalsContact C-N 3.34Å; V1547-Q1549 PolarHBondContact O-N 2.87Å; Q1549-K1552 PolarHBondContact O-N 3.43Å; Q1549-E1553 WeakPolarHBondContact O-CG 3.44Å; Q1549-E1553 PolarHBondContact O-N 3.36Å
1550Q90.2Very high82.5Confident47 Ų4765.2 Ų65.222%0.2230%0.304CS..Hα-helixtrans-66-41.4178.9-69.7-174.1-38.100112.9H1472 V1489 L1546 V1547 K1552 E1553 S1554H1472-Q1550 PolarHBondContact NE2-OE1 3.1Å; V1489-Q1550 HydrophobicContact CB-CB 4.45Å; V1489-Q1550 HydrophobicContact CG1-CB 3.98Å; V1489-Q1550 HydrophobicContact CG2-CB 4.41Å; L1546-Q1550 HydrophobicContact CD2-CG 4.21Å; L1546-Q1550 PolarHBondContact O-N 3.05Å; V1547-Q1550 PolarHBondContact O-N 3.34Å; Q1550-K1552 VanDerWaalsContact C-N 3.34Å; Q1550-E1553 PolarHBondContact O-N 2.91Å; Q1550-S1554 PolarHBondContact O-N 3.48Å; Q1550-S1554 PolarHBondContact O-OG 3.19Å
1551I90.2Very high80.1Confident2 Ų267 Ų671%0.0131%0.314CS..Hα-helixtrans-62.1-44.9173.7-66171.1000109.4V1489 L1494 Y1509 L1515 L1524 I1526 V1547 E1553 S1554 M1555V1489-I1551 HydrophobicContact CG1-CG1 3.92Å; V1489-I1551 HydrophobicContact CG2-CG1 3.84Å; L1494-I1551 HydrophobicContact CD1-CD1 3.99Å; L1494-I1551 HydrophobicContact CD1-CG1 4.29Å; L1494-I1551 HydrophobicContact CD2-CD1 4.34Å; Y1509-I1551 HydrophobicContact CD1-CG2 4.25Å; Y1509-I1551 HydrophobicContact CE1-CG2 3.67Å; L1515-I1551 HydrophobicContact CD1-CG2 4.28Å; L1515-I1551 HydrophobicContact CD2-CB 4.01Å; L1515-I1551 HydrophobicContact CD2-CG2 3.55Å; L1524-I1551 HydrophobicContact CD2-CD1 4.26Å; I1526-I1551 HydrophobicContact CD1-CD1 4.48Å; V1547-I1551 HydrophobicContact CG1-CD1 3.79Å; V1547-I1551 HydrophobicContact CG1-CG1 4.37Å; V1547-I1551 WeakPolarHBondContact O-CG1 3.44Å; V1547-I1551 PolarHBondContact O-N 2.98Å; I1551-E1553 VanDerWaalsContact C-N 3.33Å; I1551-E1553 PolarHBondContact O-N 3.44Å; I1551-S1554 PolarHBondContact O-N 3.04Å; I1551-S1554 VanDerWaalsContact O-N 3.15Å; I1551-M1555 HydrophobicContact CG2-CG 4.03Å; I1551-M1555 HydrophobicContact CG2-SD 3.9Å; I1551-M1555 WeakPolarHBondContact O-CB 3.25Å; I1551-M1555 VanDerWaalsContact O-CG 3.31Å; I1551-M1555 WeakPolarHBondContact O-CG 3.28Å; I1551-M1555 PolarHBondContact O-N 2.79Å
1552K88Confident77.8Confident100 Ų10070.3 Ų70.344%0.43534%0.341SS..Hα-helixtrans-64.8-32.7-179.7-171.6170.6-166.8166.40113.7Y1548 Q1549 Q1550 K1556Y1548-K1552 HydrophobicContact CE1-CD 3.8Å; Y1548-K1552 WeakPolarHBondContact O-CB 3.22Å; Y1548-K1552 PolarHBondContact O-N 3.3Å; Y1548-K1552 PolarHBondContact OH-NZ 3.1Å; Q1549-K1552 PolarHBondContact O-N 3.43Å; Q1550-K1552 VanDerWaalsContact C-N 3.34Å; K1552-K1556 WeakPolarHBondContact O-CB 3.31Å; K1552-K1556 WeakPolarHBondContact O-CG 3.37Å; K1552-K1556 PolarHBondContact O-N 3.07Å; K1552-K1556 VanDerWaalsContact O-N 3.15Å
1553E85.9Confident75.4Confident122 Ų12266.8 Ų66.857%0.5734%0.343SS*.Hα-helixtrans-69.5-41.1172.1-75.1171.3170.200111.4Q1549 Q1550 I1551 K1556 N1557Q1549-E1553 WeakPolarHBondContact O-CG 3.44Å; Q1549-E1553 PolarHBondContact O-N 3.36Å; Q1550-E1553 PolarHBondContact O-N 2.91Å; I1551-E1553 VanDerWaalsContact C-N 3.33Å; I1551-E1553 PolarHBondContact O-N 3.44Å; E1553-K1556 WeakPolarHBondContact O-CB 3.28Å; E1553-K1556 PolarHBondContact O-N 3.08Å; E1553-N1557 PolarHBondContact O-OD1 2.89Å
1554S84.5Confident72.6Confident7 Ų767.1 Ų67.15%0.04935%0.345CS..Hα-helixtrans-66.5-46.7176.3-51.50000111.9C1490 Q1550 I1551 K1556 N1557C1490-S1554 PolarHBondContact O-OG 3.47Å; Q1550-S1554 PolarHBondContact O-N 3.48Å; Q1550-S1554 PolarHBondContact O-OG 3.19Å; I1551-S1554 PolarHBondContact O-N 3.04Å; I1551-S1554 VanDerWaalsContact O-N 3.15Å; S1554-K1556 VanDerWaalsContact C-N 3.27Å; S1554-K1556 PolarHBondContact O-N 2.93Å; S1554-N1557 PolarHBondContact O-N 3.12Å
1555M81.4Confident69.7Low37 Ų3769.4 Ų69.418%0.18237%0.369CS..Hα-helixtrans-59.7-32.7175-70.4-172.576.100113.4Y1509 V1512 L1515 I1551 N1557 I1558 S1559Y1509-M1555 HydrophobicContact CD1-CG 4.01Å; Y1509-M1555 HydrophobicContact CD2-CG 4.24Å; Y1509-M1555 HydrophobicContact CG-CG 3.81Å; V1512-M1555 HydrophobicContact CB-CE 3.77Å; V1512-M1555 HydrophobicContact CG1-CE 3.87Å; V1512-M1555 HydrophobicContact CG1-SD 4.28Å; L1515-M1555 HydrophobicContact CD2-SD 4.12Å; I1551-M1555 HydrophobicContact CG2-CG 4.03Å; I1551-M1555 HydrophobicContact CG2-SD 3.9Å; I1551-M1555 WeakPolarHBondContact O-CB 3.25Å; I1551-M1555 VanDerWaalsContact O-CG 3.31Å; I1551-M1555 WeakPolarHBondContact O-CG 3.28Å; I1551-M1555 PolarHBondContact O-N 2.79Å; M1555-N1557 VanDerWaalsContact C-N 3.33Å; M1555-N1557 PolarHBondContact O-N 2.94Å; M1555-I1558 PolarHBondContact O-N 2.95Å; M1555-S1559 WeakPolarHBondContact O-CB 3.37Å; M1555-S1559 PolarHBondContact O-N 2.73Å; M1555-S1559 PolarHBondContact O-OG 3.38Å
1556K72.7Confident67Low139 Ų13971 Ų7160%0.60439%0.387SS*.Hα-helixtrans-61.4-41.3177.1-97.1-174168.9-163.70112.1K1552 E1553 S1554 I1558 S1559 V1560K1552-K1556 WeakPolarHBondContact O-CB 3.31Å; K1552-K1556 WeakPolarHBondContact O-CG 3.37Å; K1552-K1556 PolarHBondContact O-N 3.07Å; K1552-K1556 VanDerWaalsContact O-N 3.15Å; E1553-K1556 WeakPolarHBondContact O-CB 3.28Å; E1553-K1556 PolarHBondContact O-N 3.08Å; S1554-K1556 VanDerWaalsContact C-N 3.27Å; S1554-K1556 PolarHBondContact O-N 2.93Å; K1556-I1558 VanDerWaalsContact C-N 3.32Å; K1556-I1558 PolarHBondContact O-N 2.7Å; K1556-S1559 PolarHBondContact O-N 3.31Å; K1556-V1560 PolarHBondContact O-N 2.76Å
1557N63.1Low64.3Low115 Ų11574.3 Ų74.362%0.61540%0.404SS*.Hα-helixtrans-63.9-41-178.5-61-12.4000110.6E1553 S1554 M1555 V1560E1553-N1557 PolarHBondContact O-OD1 2.89Å; S1554-N1557 PolarHBondContact O-N 3.12Å; M1555-N1557 VanDerWaalsContact C-N 3.33Å; M1555-N1557 PolarHBondContact O-N 2.94Å; N1557-V1560 PolarHBondContact O-N 2.89Å
1558I63.3Low61.8Low26 Ų2677.7 Ų77.713%0.13342%0.422CS..Hα-helixtrans-72.2-33.1176.8-53.4163.1000111.7Y1509 M1555 K1556 V1560 E1561 A1562Y1509-I1558 HydrophobicContact CD2-CD1 3.69Å; Y1509-I1558 HydrophobicContact CG-CD1 4.19Å; M1555-I1558 PolarHBondContact O-N 2.95Å; K1556-I1558 VanDerWaalsContact C-N 3.32Å; K1556-I1558 PolarHBondContact O-N 2.7Å; I1558-V1560 PolarHBondContact O-N 2.98Å; I1558-E1561 WeakPolarHBondContact O-CA 3.45Å; I1558-E1561 WeakPolarHBondContact O-CB 3.5Å; I1558-E1561 PolarHBondContact O-N 2.9Å; I1558-A1562 WeakPolarHBondContact O-CB 3.29Å; I1558-A1562 PolarHBondContact O-N 3.05Å
1559S51.3Low59.3Low62 Ų6276.6 Ų76.643%0.43442%0.424SS..Hα-helixtrans-64-25.7176.5-570000112M1555 K1556 S1563M1555-S1559 WeakPolarHBondContact O-CB 3.37Å; M1555-S1559 PolarHBondContact O-N 2.73Å; M1555-S1559 PolarHBondContact O-OG 3.38Å; K1556-S1559 PolarHBondContact O-N 3.31Å; S1559-S1563 VanDerWaalsContact O-CB 3.24Å; S1559-S1563 WeakPolarHBondContact O-CB 3.25Å; S1559-S1563 PolarHBondContact O-N 3.02Å; S1559-S1563 PolarHBondContact O-OG 2.98Å
1560V47.2Very low57.2Low78 Ų7873.7 Ų73.747%0.47341%0.411SS..Hα-helixtrans-70.9-42.3171.1177.40000110.9K1556 N1557 I1558 A1562 H1564K1556-V1560 PolarHBondContact O-N 2.76Å; N1557-V1560 PolarHBondContact O-N 2.89Å; I1558-V1560 PolarHBondContact O-N 2.98Å; V1560-A1562 PolarHBondContact O-N 3.11Å; V1560-H1564 PolarHBondContact O-CD2 3.4Å
1561E45Very low55.2Low71 Ų7172.2 Ų72.233%0.33240%0.404SS..Hα-helixtrans-61.8-40.7173.7-57.4176158.100111.8K1388 I1558 H1564K1388-E1561 IonicContact NZ-OE1 3.42Å; K1388-E1561 PolarHBondContact NZ-OE1 3.01Å; K1388-E1561 IonicContact NZ-OE2 2.72Å; K1388-E1561 PolarHBondContact NZ-OE2 3.34Å; K1388-E1561 VanDerWaalsContact NZ-OE2 3.13Å; I1558-E1561 WeakPolarHBondContact O-CA 3.45Å; I1558-E1561 WeakPolarHBondContact O-CB 3.5Å; I1558-E1561 PolarHBondContact O-N 2.9Å; E1561-H1564 VanDerWaalsContact O-O 3.12Å
1562A42.1Very low53.3Low72 Ų7276.2 Ų76.260%0.59543%0.425SS*.Hα-helixtrans-89.9-22.5-172.100000115.4I1558 V1560 H1564I1558-A1562 WeakPolarHBondContact O-CB 3.29Å; I1558-A1562 PolarHBondContact O-N 3.05Å; V1560-A1562 PolarHBondContact O-N 3.11Å; A1562-H1564 PolarHBondContact O-N 3.39Å
1563S37.8Very low51.7Low98 Ų9872.2 Ų72.269%0.68541%0.413SS*.SBendtrans-68.2-18175.1-63.70000112.6S1559S1559-S1563 VanDerWaalsContact O-CB 3.24Å; S1559-S1563 WeakPolarHBondContact O-CB 3.25Å; S1559-S1563 PolarHBondContact O-N 3.02Å; S1559-S1563 PolarHBondContact O-OG 2.98Å
1564H32.3Very low50.6Low78 Ų7871.8 Ų71.836%0.36141%0.411SS..SBendtrans-104.5108.8172.8-62.2-43.3000107.5V1560 E1561 A1562 N1568 G1569V1560-H1564 PolarHBondContact O-CD2 3.4Å; E1561-H1564 VanDerWaalsContact O-O 3.12Å; A1562-H1564 PolarHBondContact O-N 3.39Å; H1564-N1568 HydrophobicContact CB-CB 3.92Å; H1564-G1569 WeakPolarHBondContact O-CA 3.3Å
1565G30.2Very low49.9Very low50 Ų5071.7 Ų71.752%0.51541%0.41SS..  trans-62.5-176.3-176.400000114L1567 N1568 G1569G1565-L1567 PolarHBondContact O-N 3.01Å; G1565-N1568 PolarHBondContact O-N 3.27Å; G1565-G1569 PolarHBondContact O-N 3.02Å
1566I35.2Very low49.3Very low179 Ų17973.2 Ų73.292%0.91842%0.419SS*.THydrogen-bonded Turntrans-50.1-20.2-173.4-65167.4000114.6
1567L34.6Very low49.7Very low150 Ų15066.9 Ų66.979%0.78539%0.392SS*.THydrogen-bonded Turntrans-1061.8179.5-58.9175000115.3G1565G1565-L1567 PolarHBondContact O-N 3.01Å
1568N38.4Very low50.5Low70 Ų7062.8 Ų62.837%0.37437%0.371SS..THydrogen-bonded Turntrans-135.7-11.3179.5-81.7-51.5000114.7H1564 G1565 D1570 L1657H1564-N1568 HydrophobicContact CB-CB 3.92Å; G1565-N1568 PolarHBondContact O-N 3.27Å; N1568-D1570 PolarHBondContact O-N 3.35Å; N1568-D1570 VanDerWaalsContact O-N 3.17Å; N1568-L1657 WeakPolarHBondContact OD1-CD1 3.24Å
1569G41.1Very low51.6Low19 Ų1962.4 Ų62.420%0.19637%0.37CS..THydrogen-bonded Turntrans-42.4-51.3-167.500000117.6H1564 G1565 L1571H1564-G1569 WeakPolarHBondContact O-CA 3.3Å; G1565-G1569 PolarHBondContact O-N 3.02Å; G1569-L1571 PolarHBondContact O-N 3.39Å
1570D47.8Very low53.2Low26 Ų2662.1 Ų62.114%0.13936%0.363CS..THydrogen-bonded Turntrans-91.45.9-158.8-64.3-20.1000114.4S1385 L1387 N1568 N1572 G1573 L1650S1385-D1570 WeakPolarHBondContact CB-OD1 3.48Å; S1385-D1570 PolarHBondContact OG-OD1 3.11Å; S1385-D1570 PolarHBondContact OG-OD2 3.47Å; L1387-D1570 HydrophobicContact CB-CB 3.87Å; L1387-D1570 VanDerWaalsContact CB-OD2 3.23Å; L1387-D1570 WeakPolarHBondContact CB-OD2 3.32Å; L1387-D1570 HydrophobicContact CD1-CB 4.2Å; L1387-D1570 PolarHBondContact N-OD2 2.86Å; N1568-D1570 PolarHBondContact O-N 3.35Å; N1568-D1570 VanDerWaalsContact O-N 3.17Å; D1570-N1572 PolarHBondContact O-N 3.11Å; D1570-G1573 PolarHBondContact O-N 3.03Å; D1570-L1650 HydrophobicContact CB-CD1 4.34Å; D1570-L1650 HydrophobicContact CB-CD2 4.19Å
1571L48.3Very low54.8Low16 Ų1662.1 Ų62.18%0.08436%0.36CS..THydrogen-bonded Turntrans-74.933.7-173.8-61.6-177.2000115.9G1569 I1590 P1592 I1654G1569-L1571 PolarHBondContact O-N 3.39Å; L1571-I1590 CarbonylContact C-O 3.42Å; L1571-I1590 HydrophobicContact CD2-CG2 3.96Å; L1571-P1592 HydrophobicContact CB-CG 4.36Å; L1571-P1592 HydrophobicContact CD1-CG 4.24Å; L1571-I1654 HydrophobicContact CD1-CG1 4.38Å; L1571-I1654 HydrophobicContact CD2-CD1 3.65Å; L1571-I1654 HydrophobicContact CD2-CG1 3.62Å
1572N48.6Very low56.5Low85 Ų8562.4 Ų62.446%0.45536%0.364SS..THydrogen-bonded Turntrans-148.73.7167.8-84.5-67.8000113.4D1570 I1590 L1591D1570-N1572 PolarHBondContact O-N 3.11Å; N1572-I1590 VanDerWaalsContact CA-O 3.29Å; N1572-I1590 WeakPolarHBondContact CA-O 3.44Å; N1572-I1590 PolarHBondContact N-O 3.04Å; N1572-L1591 WeakPolarHBondContact OD1-CD2 3.45Å
1573G54.2Low58.1Low16 Ų1664.7 Ų64.717%0.16537%0.366CS..  trans-72.5129.7-174.800000113.5D1570 I1575D1570-G1573 PolarHBondContact O-N 3.03Å; G1573-I1575 PolarHBondContact O-N 3.42Å
1574E63.1Low59.8Low113 Ų11364 Ų6453%0.52835%0.352SS..EExtended strand (participates in β ladder)trans-77.9112.2169.9-82.7-163.6-164.500111.1T1587 S1589E1574-T1587 HydrophobicContact CB-CG2 4.23Å; E1574-T1587 VanDerWaalsContact OE2-CB 3.23Å; E1574-T1587 WeakPolarHBondContact OE2-CB 3.48Å; E1574-T1587 WeakPolarHBondContact OE2-CG2 3.22Å; E1574-T1587 PolarHBondContact OE2-OG1 3.13Å; E1574-S1589 WeakPolarHBondContact CG-OG 3.47Å
1575I69.5Low61.7Low6 Ų665 Ų653%0.03137%0.365CS..EExtended strand (participates in β ladder)trans-94.4121.7179.7-67.2172.5000109.6L1387 G1573 A1577 T1587 I1588 I1590 M1643 M1647L1387-I1575 HydrophobicContact CD1-CD1 4.31Å; L1387-I1575 HydrophobicContact CD1-CG1 4.19Å; G1573-I1575 PolarHBondContact O-N 3.42Å; I1575-A1577 PolarHBondContact O-N 2.87Å; I1575-T1587 CarbonylContact O-C 3.57Å; I1575-T1587 WeakPolarHBondContact O-CA 3.45Å; I1575-I1588 WeakPolarHBondContact CB-O 3.16Å; I1575-I1588 PolarHBondContact N-O 2.82Å; I1575-I1588 PolarHBondContact O-N 3.39Å; I1575-I1590 HydrophobicContact CD1-CD1 3.95Å; I1575-I1590 HydrophobicContact CD1-CG1 4.23Å; I1575-M1643 HydrophobicContact CD1-CB 4.41Å; I1575-M1643 HydrophobicContact CG2-CB 3.58Å; I1575-M1643 HydrophobicContact CG2-CG 3.91Å; I1575-M1647 HydrophobicContact CD1-CG 3.56Å; I1575-M1647 HydrophobicContact CD1-SD 4.22Å; I1575-M1647 HydrophobicContact CG2-CG 4.49Å; I1575-M1647 HydrophobicContact CG2-SD 4.07Å
1576N70.2Confident64Low69 Ų6963.4 Ų63.437%0.36935%0.349SS..EExtended strand (participates in β ladder)trans-62.6133.7173.5-71.8-57.7000111.1T1641N1576-T1641 VanDerWaalsContact O-CB 3.31Å; N1576-T1641 WeakPolarHBondContact O-CB 3.07Å; N1576-T1641 PolarHBondContact O-OG1 2.93Å
1577A79.7Confident66Low6 Ų655.9 Ų55.95%0.0531%0.311CS..EExtended strand (participates in β ladder)trans-147161.1178.800000112.1I1575 P1585 G1586 I1588 F1599 F1639 Q1640 T1641I1575-A1577 PolarHBondContact O-N 2.87Å; A1577-P1585 WeakPolarHBondContact O-CA 3.35Å; A1577-G1586 PolarHBondContact N-O 3.43Å; A1577-G1586 PolarHBondContact O-N 3.36Å; A1577-G1586 VanDerWaalsContact O-O 3.11Å; A1577-I1588 HydrophobicContact CB-CD1 3.69Å; A1577-I1588 HydrophobicContact CB-CG1 3.82Å; A1577-F1599 HydrophobicContact CB-CZ 4.08Å; A1577-F1639 HydrophobicContact CB-CB 4.25Å; A1577-Q1640 WeakPolarHBondContact CA-O 3.47Å; A1577-T1641 HydrophobicContact CB-CG2 4.45Å
1578T80.7Confident68.2Low28 Ų2848.7 Ų48.717%0.17227%0.274CS..EExtended strand (participates in β ladder)trans-114.4122.2168.8-20.90000107.9L1580 Q1584 F1639 Q1640T1578-L1580 PolarHBondContact O-N 3.36Å; T1578-Q1584 WeakPolarHBondContact CA-O 3.4Å; T1578-F1639 CarbonylContact O-C 3.32Å; T1578-F1639 WeakPolarHBondContact O-CA 3.41Å; T1578-Q1640 PolarHBondContact N-O 3.45Å; T1578-Q1640 PolarHBondContact O-N 2.91Å; T1578-Q1640 PolarHBondContact OG1-O 3Å
1579N85.7Confident70Confident19 Ų1946 Ų4610%0.10226%0.26CS..EExtended strand (participates in β ladder)trans-73119.4173.5175.4-5.9000108.6D1581 N1582 N1583 Q1584 F1599 F1639N1579-D1581 VanDerWaalsContact C-N 3.27Å; N1579-D1581 PolarHBondContact O-N 3Å; N1579-D1581 WeakPolarHBondContact OD1-CB 3.28Å; N1579-D1581 PolarHBondContact OD1-N 2.93Å; N1579-N1582 VanDerWaalsContact CB-OD1 3.3Å; N1579-N1582 WeakPolarHBondContact CB-OD1 3.26Å; N1579-N1582 PolarHBondContact ND2-OD1 3.49Å; N1579-N1583 WeakPolarHBondContact O-CA 3.48Å; N1579-N1583 PolarHBondContact O-N 3.39Å; N1579-Q1584 PolarHBondContact N-O 3.11Å; N1579-F1599 HydrophobicContact CB-CD1 3.81Å; N1579-F1599 HydrophobicContact CB-CD2 4.49Å; N1579-F1599 HydrophobicContact CB-CE1 3.62Å; N1579-F1599 HydrophobicContact CB-CE2 4.33Å; N1579-F1599 HydrophobicContact CB-CG 4.26Å; N1579-F1599 HydrophobicContact CB-CZ 3.9Å; N1579-F1639 HydrophobicContact CB-CD1 4.14Å; N1579-F1639 HydrophobicContact CB-CE1 4.2Å
1580L84.6Confident71.6Confident55 Ų5545.1 Ų45.129%0.28825%0.251SS..THydrogen-bonded Turntrans-76.3-14.8-175.3-74.1164.6000113.3T1578 I1621 R1638 Q1640T1578-L1580 PolarHBondContact O-N 3.36Å; L1580-I1621 HydrophobicContact CD1-CB 4.33Å; L1580-I1621 HydrophobicContact CD1-CD1 3.93Å; L1580-I1621 HydrophobicContact CD1-CG1 3.95Å; L1580-I1621 HydrophobicContact CD1-CG2 3.53Å; L1580-R1638 HydrophobicContact CB-CB 4.12Å; L1580-R1638 WeakPolarHBondContact CB-O 3.47Å; L1580-R1638 HydrophobicContact CD1-CB 4.13Å; L1580-R1638 PolarHBondContact N-O 3.05Å; L1580-Q1640 HydrophobicContact CD1-CB 4.15Å; L1580-Q1640 HydrophobicContact CD2-CB 4.08Å; L1580-Q1640 HydrophobicContact CG-CB 4.08Å
1581D82.7Confident72.7Confident78 Ų7846 Ų4642%0.41726%0.255SS..THydrogen-bonded Turntrans-85.9-18.7-178.5-55.4-54.1000112N1579 R1638N1579-D1581 VanDerWaalsContact C-N 3.27Å; N1579-D1581 PolarHBondContact O-N 3Å; N1579-D1581 WeakPolarHBondContact OD1-CB 3.28Å; N1579-D1581 PolarHBondContact OD1-N 2.93Å; D1581-R1638 IonicContact OD1-CZ 2.77Å; D1581-R1638 VanDerWaalsContact OD1-CZ 3.24Å; D1581-R1638 IonicContact OD1-NE 2.66Å; D1581-R1638 PolarHBondContact OD1-NE 3.45Å; D1581-R1638 IonicContact OD1-NH2 3.24Å; D1581-R1638 PolarHBondContact OD1-NH2 3.25Å; D1581-R1638 PolarHBondContact OD2-N 3.02Å
1582N79.4Confident73.8Confident77 Ų7748.4 Ų48.441%0.41227%0.272SS..THydrogen-bonded Turntrans-135.82.2176.275.2-2.8000115.3N1579 Q1584N1579-N1582 VanDerWaalsContact CB-OD1 3.3Å; N1579-N1582 WeakPolarHBondContact CB-OD1 3.26Å; N1579-N1582 PolarHBondContact ND2-OD1 3.49Å; N1582-Q1584 PolarHBondContact ND2-OE1 2.92Å; N1582-Q1584 VanDerWaalsContact ND2-OE1 3.08Å; N1582-Q1584 PolarHBondContact O-N 2.85Å; N1582-Q1584 VanDerWaalsContact O-N 3.14Å; N1582-Q1584 WeakPolarHBondContact OD1-CB 3.4Å; N1582-Q1584 PolarHBondContact OD1-N 2.89Å
1583N76.5Confident75.1Confident120 Ų12050 Ų5064%0.64228%0.281SS*.  trans55.216.6-174.9-82.6-24.4000116.5N1579N1579-N1583 WeakPolarHBondContact O-CA 3.48Å; N1579-N1583 PolarHBondContact O-N 3.39Å
1584Q73.2Confident76.3Confident84 Ų8449.2 Ų49.239%0.39327%0.273SS..  trans-80138.4176.4-69.2-176.4-23.500111.8T1578 N1579 N1582 F1599T1578-Q1584 WeakPolarHBondContact CA-O 3.4Å; N1579-Q1584 PolarHBondContact N-O 3.11Å; N1582-Q1584 PolarHBondContact ND2-OE1 2.92Å; N1582-Q1584 VanDerWaalsContact ND2-OE1 3.08Å; N1582-Q1584 PolarHBondContact O-N 2.85Å; N1582-Q1584 VanDerWaalsContact O-N 3.14Å; N1582-Q1584 WeakPolarHBondContact OD1-CB 3.4Å; N1582-Q1584 PolarHBondContact OD1-N 2.89Å; Q1584-F1599 HydrophobicContact CB-CD1 4.39Å; Q1584-F1599 VanDerWaalsContact O-CD1 3.31Å; Q1584-F1599 WeakPolarHBondContact O-CD1 3.4Å; Q1584-F1599 WeakPolarHBondContact O-CE1 3.27Å
1585P73.1Confident77.3Confident98 Ų9843.9 Ų43.964%0.63625%0.248SC*.EExtended strand (participates in β ladder)trans-75.6152165.533.2-34000110.9A1577A1577-P1585 WeakPolarHBondContact O-CA 3.35Å
1586G77.3Confident78Confident17 Ų1744.4 Ų44.418%0.17525%0.251CS..EExtended strand (participates in β ladder)trans-174.3-171.4-179.500000112.1A1577 K1598A1577-G1586 PolarHBondContact N-O 3.43Å; A1577-G1586 PolarHBondContact O-N 3.36Å; A1577-G1586 VanDerWaalsContact O-O 3.11Å; G1586-K1598 CarbonylContact C-O 3.58Å; G1586-K1598 WeakPolarHBondContact CA-O 3.49Å
1587T78.4Confident78.9Confident21 Ų2141.6 Ų41.613%0.12924%0.236CC..EExtended strand (participates in β ladder)trans-122.1150.8179.154.50000112.6E1574 I1575 K1598E1574-T1587 HydrophobicContact CB-CG2 4.23Å; E1574-T1587 VanDerWaalsContact OE2-CB 3.23Å; E1574-T1587 WeakPolarHBondContact OE2-CB 3.48Å; E1574-T1587 WeakPolarHBondContact OE2-CG2 3.22Å; E1574-T1587 PolarHBondContact OE2-OG1 3.13Å; I1575-T1587 CarbonylContact O-C 3.57Å; I1575-T1587 WeakPolarHBondContact O-CA 3.45Å; T1587-K1598 PolarHBondContact N-O 3.13Å; T1587-K1598 PolarHBondContact O-N 2.8Å
1588I80.8Confident79.1Confident0 Ų045.1 Ų45.10%025%0.251CS..EExtended strand (participates in β ladder)trans-122.5108.5174.3-40.4-172.6000108.3I1575 A1577 F1595 V1596 I1597 F1639 M1647I1575-I1588 WeakPolarHBondContact CB-O 3.16Å; I1575-I1588 PolarHBondContact N-O 2.82Å; I1575-I1588 PolarHBondContact O-N 3.39Å; A1577-I1588 HydrophobicContact CB-CD1 3.69Å; A1577-I1588 HydrophobicContact CB-CG1 3.82Å; I1588-F1595 HydrophobicContact CG2-CB 4.35Å; I1588-F1595 HydrophobicContact CG2-CD1 3.97Å; I1588-V1596 CarbonylContact C-O 3.51Å; I1588-V1596 VanDerWaalsContact CA-O 3.31Å; I1588-V1596 WeakPolarHBondContact CA-O 3.48Å; I1588-I1597 HydrophobicContact CB-CG2 4.24Å; I1588-I1597 HydrophobicContact CD1-CG2 4.21Å; I1588-I1597 HydrophobicContact CG1-CG2 3.93Å; I1588-I1597 HydrophobicContact CG2-CG2 3.71Å; I1588-F1639 HydrophobicContact CD1-CB 3.87Å; I1588-F1639 HydrophobicContact CD1-CD1 4.12Å; I1588-F1639 HydrophobicContact CD1-CD2 3.62Å; I1588-F1639 HydrophobicContact CD1-CE2 4.16Å; I1588-F1639 HydrophobicContact CD1-CG 3.59Å; I1588-M1647 HydrophobicContact CB-CE 3.91Å; I1588-M1647 HydrophobicContact CD1-CE 3.87Å; I1588-M1647 HydrophobicContact CD1-SD 4.25Å; I1588-M1647 HydrophobicContact CG1-CE 4.45Å; I1588-M1647 HydrophobicContact CG2-CE 3.58Å
1589S76.2Confident79.1Confident12 Ų1244.5 Ų44.58%0.08425%0.246CC..EExtended strand (participates in β ladder)trans-86123.9171.5-15.30000109.1E1574 F1595 V1596E1574-S1589 WeakPolarHBondContact CG-OG 3.47Å; S1589-F1595 WeakPolarHBondContact O-CA 3.41Å; S1589-V1596 PolarHBondContact N-O 3.04Å; S1589-V1596 PolarHBondContact O-N 2.92Å
1590I73.6Confident78.6Confident1 Ų146 Ų461%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-82.3138.6166.9-48.5-169.4000108L1571 N1572 I1575 F1595 M1647 L1650 I1654L1571-I1590 CarbonylContact C-O 3.42Å; L1571-I1590 HydrophobicContact CD2-CG2 3.96Å; N1572-I1590 VanDerWaalsContact CA-O 3.29Å; N1572-I1590 WeakPolarHBondContact CA-O 3.44Å; N1572-I1590 PolarHBondContact N-O 3.04Å; I1575-I1590 HydrophobicContact CD1-CD1 3.95Å; I1575-I1590 HydrophobicContact CD1-CG1 4.23Å; I1590-F1595 HydrophobicContact CB-CD1 4.44Å; I1590-F1595 HydrophobicContact CB-CE1 4.43Å; I1590-F1595 HydrophobicContact CD1-CE1 3.99Å; I1590-F1595 HydrophobicContact CG1-CD1 3.96Å; I1590-F1595 HydrophobicContact CG1-CE1 3.77Å; I1590-F1595 HydrophobicContact CG2-CD1 4.47Å; I1590-F1595 HydrophobicContact CG2-CE1 4.21Å; I1590-M1647 HydrophobicContact CD1-CG 4.32Å; I1590-L1650 HydrophobicContact CD1-CB 4.02Å; I1590-L1650 HydrophobicContact CD1-CD1 3.78Å; I1590-I1654 HydrophobicContact CG2-CD1 3.62Å
1591L72Confident78.1Confident44 Ų4450.5 Ų50.523%0.2329%0.29CS..EExtended strand (participates in β ladder)trans-133.5159.6175.5-79.5139.2000109.6N1572 D1593 G1594 V1596 F1605N1572-L1591 WeakPolarHBondContact OD1-CD2 3.45Å; L1591-D1593 PolarHBondContact O-N 3.24Å; L1591-G1594 CarbonylContact C-O 3.48Å; L1591-G1594 WeakPolarHBondContact CA-O 3.36Å; L1591-G1594 PolarHBondContact N-O 3.46Å; L1591-G1594 PolarHBondContact O-N 3.18Å; L1591-V1596 HydrophobicContact CD1-CB 4.23Å; L1591-V1596 HydrophobicContact CD1-CG2 3.53Å; L1591-F1605 HydrophobicContact CD1-CE2 4.09Å
1592P69.5Low77.7Confident67 Ų6754.5 Ų54.544%0.43531%0.306SS..THydrogen-bonded Turntrans-55.8-34.3174.5-2534.8000113.2L1571L1571-P1592 HydrophobicContact CB-CG 4.36Å; L1571-P1592 HydrophobicContact CD1-CG 4.24Å
1593D76.7Confident78Confident118 Ų11856.3 Ų56.363%0.63131%0.312SS*.THydrogen-bonded Turntrans-92.5-1.7-175.4-70.913.1000113.9L1591 F1605 K1607 L1608L1591-D1593 PolarHBondContact O-N 3.24Å; D1593-F1605 HydrophobicContact CB-CZ 3.97Å; D1593-K1607 CarbonylContact O-C 3.52Å; D1593-K1607 WeakPolarHBondContact O-CA 3.41Å; D1593-L1608 PolarHBondContact O-N 2.89Å
1594G78.8Confident78.4Confident1 Ų154.5 Ų54.51%0.0130%0.298CS..EExtended strand (participates in β ladder)trans152.4-157.8-174.200000116.3L1591 I1606L1591-G1594 CarbonylContact C-O 3.48Å; L1591-G1594 WeakPolarHBondContact CA-O 3.36Å; L1591-G1594 PolarHBondContact N-O 3.46Å; L1591-G1594 PolarHBondContact O-N 3.18Å; G1594-I1606 CarbonylContact C-O 3.58Å; G1594-I1606 WeakPolarHBondContact CA-O 3.41Å
1595F84.1Confident79.2Confident1 Ų154.8 Ų54.80%0.00430%0.299CS..EExtended strand (participates in β ladder)trans-117132.5173.3-63.6-87.6000110.9I1588 S1589 I1590 F1605 I1606 I1611 F1622 I1624 M1647 W1651I1588-F1595 HydrophobicContact CG2-CB 4.35Å; I1588-F1595 HydrophobicContact CG2-CD1 3.97Å; S1589-F1595 WeakPolarHBondContact O-CA 3.41Å; I1590-F1595 HydrophobicContact CB-CD1 4.44Å; I1590-F1595 HydrophobicContact CB-CE1 4.43Å; I1590-F1595 HydrophobicContact CD1-CE1 3.99Å; I1590-F1595 HydrophobicContact CG1-CD1 3.96Å; I1590-F1595 HydrophobicContact CG1-CE1 3.77Å; I1590-F1595 HydrophobicContact CG2-CD1 4.47Å; I1590-F1595 HydrophobicContact CG2-CE1 4.21Å; F1595-F1605 VanDerWaalsContact O-CD2 3.31Å; F1595-F1605 WeakPolarHBondContact O-CD2 3.15Å; F1595-I1606 PolarHBondContact N-O 3.31Å; F1595-I1606 PolarHBondContact O-N 2.94Å; F1595-I1611 HydrophobicContact CD2-CD1 3.61Å; F1595-I1611 HydrophobicContact CE2-CD1 3.79Å; F1595-F1622 HydrophobicContact CE1-CE1 4.14Å; F1595-F1622 HydrophobicContact CE1-CZ 4.41Å; F1595-F1622 AromaticContact CZ-CE1 3.99Å; F1595-F1622 HydrophobicContact CZ-CE1 3.99Å; F1595-F1622 AromaticContact CZ-CZ 3.96Å; F1595-F1622 HydrophobicContact CZ-CZ 3.96Å; F1595-I1624 HydrophobicContact CD2-CD1 4.09Å; F1595-I1624 HydrophobicContact CE2-CD1 4.27Å; F1595-I1624 HydrophobicContact CG-CD1 4.35Å; F1595-M1647 HydrophobicContact CD1-CE 4.13Å; F1595-M1647 HydrophobicContact CE1-CE 3.82Å; F1595-W1651 HydrophobicContact CD2-CZ3 4.47Å; F1595-W1651 HydrophobicContact CE2-CD2 4.24Å; F1595-W1651 AromaticContact CE2-CE3 3.43Å; F1595-W1651 HydrophobicContact CE2-CE3 3.43Å; F1595-W1651 VanDerWaalsContact CE2-CE3 3.43Å; F1595-W1651 AromaticContact CE2-CZ3 3.7Å; F1595-W1651 HydrophobicContact CE2-CZ3 3.7Å; F1595-W1651 HydrophobicContact CZ-CB 4.45Å; F1595-W1651 HydrophobicContact CZ-CD2 4.36Å; F1595-W1651 AromaticContact CZ-CE3 3.71Å; F1595-W1651 HydrophobicContact CZ-CE3 3.71Å; F1595-W1651 HydrophobicContact CZ-CZ3 4.42Å
1596V85Confident79.9Confident16 Ų1650.4 Ų50.410%0.09727%0.269CS..EExtended strand (participates in β ladder)trans-88.5128.6157.8166.30000107.9I1588 S1589 L1591 Q1603 F1605I1588-V1596 CarbonylContact C-O 3.51Å; I1588-V1596 VanDerWaalsContact CA-O 3.31Å; I1588-V1596 WeakPolarHBondContact CA-O 3.48Å; S1589-V1596 PolarHBondContact N-O 3.04Å; S1589-V1596 PolarHBondContact O-N 2.92Å; L1591-V1596 HydrophobicContact CD1-CB 4.23Å; L1591-V1596 HydrophobicContact CD1-CG2 3.53Å; V1596-Q1603 HydrophobicContact CG1-CG 3.78Å; V1596-F1605 HydrophobicContact CG2-CB 4.43Å; V1596-F1605 HydrophobicContact CG2-CD2 3.64Å; V1596-F1605 HydrophobicContact CG2-CE2 4.35Å; V1596-F1605 HydrophobicContact CG2-CG 4.39Å
1597I88Confident80.2Confident10 Ų1054.7 Ų54.75%0.05128%0.283CS..EExtended strand (participates in β ladder)trans-115.1135.217030.3173.5000109.4I1588 F1599 Q1603 K1604 I1606 Y1637 F1639I1588-I1597 HydrophobicContact CB-CG2 4.24Å; I1588-I1597 HydrophobicContact CD1-CG2 4.21Å; I1588-I1597 HydrophobicContact CG1-CG2 3.93Å; I1588-I1597 HydrophobicContact CG2-CG2 3.71Å; I1597-F1599 HydrophobicContact CB-CD2 4.4Å; I1597-F1599 HydrophobicContact CB-CE2 4.28Å; I1597-F1599 HydrophobicContact CG2-CE2 4.09Å; I1597-Q1603 CarbonylContact O-C 3.5Å; I1597-Q1603 WeakPolarHBondContact O-CA 3.29Å; I1597-K1604 HydrophobicContact CD1-CB 4.48Å; I1597-K1604 HydrophobicContact CG1-CB 4.23Å; I1597-K1604 WeakPolarHBondContact CG1-O 3.38Å; I1597-K1604 PolarHBondContact N-O 3.18Å; I1597-K1604 PolarHBondContact O-N 3.08Å; I1597-I1606 HydrophobicContact CD1-CD1 3.55Å; I1597-I1606 HydrophobicContact CD1-CG1 4.17Å; I1597-I1606 HydrophobicContact CG1-CD1 4.08Å; I1597-I1606 HydrophobicContact CG1-CG1 4.45Å; I1597-Y1637 HydrophobicContact CD1-CD1 4.31Å; I1597-Y1637 HydrophobicContact CD1-CE1 4.13Å; I1597-F1639 HydrophobicContact CD1-CZ 4.06Å; I1597-F1639 HydrophobicContact CG2-CE1 4.27Å; I1597-F1639 HydrophobicContact CG2-CE2 4.05Å; I1597-F1639 HydrophobicContact CG2-CZ 3.69Å
1598K83.9Confident80.4Confident81 Ų8155.6 Ų55.635%0.35229%0.287SS..EExtended strand (participates in β ladder)trans-138.2107.2-172.5-165.1166.6-173.3158.30110.6G1586 T1587 E1602 Q1603G1586-K1598 CarbonylContact C-O 3.58Å; G1586-K1598 WeakPolarHBondContact CA-O 3.49Å; T1587-K1598 PolarHBondContact N-O 3.13Å; T1587-K1598 PolarHBondContact O-N 2.8Å; K1598-E1602 CarbonylContact C-O 3.57Å; K1598-E1602 WeakPolarHBondContact CA-O 3.48Å; K1598-Q1603 HydrophobicContact CB-CG 4.39Å; K1598-Q1603 HydrophobicContact CD-CB 4.49Å; K1598-Q1603 HydrophobicContact CD-CG 4.26Å; K1598-Q1603 VanDerWaalsContact CE-OE1 3.28Å; K1598-Q1603 HydrophobicContact CG-CB 4.18Å; K1598-Q1603 HydrophobicContact CG-CG 4.26Å
1599F82.5Confident80.5Confident15 Ų1561.5 Ų61.57%0.06632%0.315CS..EExtended strand (participates in β ladder)trans-132.9118.1-175.2-75.2-84.6000109.7A1577 N1579 Q1584 I1597 D1601 E1602 F1639A1577-F1599 HydrophobicContact CB-CZ 4.08Å; N1579-F1599 HydrophobicContact CB-CD1 3.81Å; N1579-F1599 HydrophobicContact CB-CD2 4.49Å; N1579-F1599 HydrophobicContact CB-CE1 3.62Å; N1579-F1599 HydrophobicContact CB-CE2 4.33Å; N1579-F1599 HydrophobicContact CB-CG 4.26Å; N1579-F1599 HydrophobicContact CB-CZ 3.9Å; Q1584-F1599 HydrophobicContact CB-CD1 4.39Å; Q1584-F1599 VanDerWaalsContact O-CD1 3.31Å; Q1584-F1599 WeakPolarHBondContact O-CD1 3.4Å; Q1584-F1599 WeakPolarHBondContact O-CE1 3.27Å; I1597-F1599 HydrophobicContact CB-CD2 4.4Å; I1597-F1599 HydrophobicContact CB-CE2 4.28Å; I1597-F1599 HydrophobicContact CG2-CE2 4.09Å; F1599-D1601 PolarHBondContact O-N 3.13Å; F1599-E1602 PolarHBondContact N-O 3.22Å; F1599-E1602 PolarHBondContact O-N 3.29Å; F1599-E1602 VanDerWaalsContact O-N 3.11Å; F1599-F1639 HydrophobicContact CD2-CE1 4.3Å; F1599-F1639 AromaticContact CE2-CD1 3.77Å; F1599-F1639 HydrophobicContact CE2-CD1 3.77Å; F1599-F1639 AromaticContact CE2-CE1 3.4Å; F1599-F1639 HydrophobicContact CE2-CE1 3.4Å; F1599-F1639 HydrophobicContact CE2-CZ 4.26Å; F1599-F1639 AromaticContact CZ-CD1 3.6Å; F1599-F1639 HydrophobicContact CZ-CD1 3.6Å; F1599-F1639 AromaticContact CZ-CE1 3.75Å; F1599-F1639 HydrophobicContact CZ-CE1 3.75Å
1600G75Confident81Confident50 Ų5062.4 Ų62.452%0.51532%0.318SS..THydrogen-bonded Turntrans57.2-132-166.700000111.2
1601D74.3Confident81.6Confident149 Ų14963.1 Ų63.180%0.79732%0.322SS*.THydrogen-bonded Turntrans-83.5-8.8175.6-60.1-49.5000113.4F1599F1599-D1601 PolarHBondContact O-N 3.13Å
1602E73.3Confident82.2Confident163 Ų16367.9 Ų67.976%0.76234%0.341SS*.EExtended strand (participates in β ladder)trans-84.6125179.8-67.5-164.7166.600111.9K1598 F1599K1598-E1602 CarbonylContact C-O 3.57Å; K1598-E1602 WeakPolarHBondContact CA-O 3.48Å; F1599-E1602 PolarHBondContact N-O 3.22Å; F1599-E1602 PolarHBondContact O-N 3.29Å; F1599-E1602 VanDerWaalsContact O-N 3.11Å
1603Q85Confident82.9Confident114 Ų11471.9 Ų71.953%0.53335%0.347SS..EExtended strand (participates in β ladder)trans-121118.1169.8-172.6176.7-32.300109.9V1596 I1597 K1598V1596-Q1603 HydrophobicContact CG1-CG 3.78Å; I1597-Q1603 CarbonylContact O-C 3.5Å; I1597-Q1603 WeakPolarHBondContact O-CA 3.29Å; K1598-Q1603 HydrophobicContact CB-CG 4.39Å; K1598-Q1603 HydrophobicContact CD-CB 4.49Å; K1598-Q1603 HydrophobicContact CD-CG 4.26Å; K1598-Q1603 VanDerWaalsContact CE-OE1 3.28Å; K1598-Q1603 HydrophobicContact CG-CB 4.18Å; K1598-Q1603 HydrophobicContact CG-CG 4.26Å
1604K86.3Confident83.3Confident83 Ų8367 Ų6736%0.36132%0.322SS..EExtended strand (participates in β ladder)trans-118.9141.1177.2-167.1176.1-178.2-177.70110.3I1597 D1628 Y1637I1597-K1604 HydrophobicContact CD1-CB 4.48Å; I1597-K1604 HydrophobicContact CG1-CB 4.23Å; I1597-K1604 WeakPolarHBondContact CG1-O 3.38Å; I1597-K1604 PolarHBondContact N-O 3.18Å; I1597-K1604 PolarHBondContact O-N 3.08Å; K1604-D1628 IonicContact NZ-OD2 2.74Å; K1604-D1628 PolarHBondContact NZ-OD2 3.38Å; K1604-Y1637 PolarHBondContact NZ-OH 3.2Å; K1604-Y1637 VanDerWaalsContact NZ-OH 3.1Å
1605F88.8Confident83.7Confident90 Ų9068.1 Ų68.140%0.39533%0.33SS..EExtended strand (participates in β ladder)trans-107.7121.3174.6-179-127.2000110.6L1591 D1593 F1595 V1596 K1607L1591-F1605 HydrophobicContact CD1-CE2 4.09Å; D1593-F1605 HydrophobicContact CB-CZ 3.97Å; F1595-F1605 VanDerWaalsContact O-CD2 3.31Å; F1595-F1605 WeakPolarHBondContact O-CD2 3.15Å; V1596-F1605 HydrophobicContact CG2-CB 4.43Å; V1596-F1605 HydrophobicContact CG2-CD2 3.64Å; V1596-F1605 HydrophobicContact CG2-CE2 4.35Å; V1596-F1605 HydrophobicContact CG2-CG 4.39Å; F1605-K1607 HydrophobicContact CD1-CG 4.05Å; F1605-K1607 HydrophobicContact CE1-CG 3.74Å
1606I87.6Confident83.6Confident5 Ų569.9 Ų69.93%0.02634%0.34CS..EExtended strand (participates in β ladder)trans-99.7106.7175.5-57.4163.9000108G1594 F1595 I1597 I1611 I1624 V1626 Y1637G1594-I1606 CarbonylContact C-O 3.58Å; G1594-I1606 WeakPolarHBondContact CA-O 3.41Å; F1595-I1606 PolarHBondContact N-O 3.31Å; F1595-I1606 PolarHBondContact O-N 2.94Å; I1597-I1606 HydrophobicContact CD1-CD1 3.55Å; I1597-I1606 HydrophobicContact CD1-CG1 4.17Å; I1597-I1606 HydrophobicContact CG1-CD1 4.08Å; I1597-I1606 HydrophobicContact CG1-CG1 4.45Å; I1606-I1611 HydrophobicContact CG2-CD1 3.76Å; I1606-I1611 HydrophobicContact CG2-CG1 3.46Å; I1606-I1611 VanDerWaalsContact CG2-CG1 3.46Å; I1606-I1624 HydrophobicContact CD1-CD1 4.5Å; I1606-V1626 HydrophobicContact CD1-CG2 3.95Å; I1606-V1626 HydrophobicContact CG1-CG2 4.36Å; I1606-V1626 HydrophobicContact CG2-CB 4.41Å; I1606-V1626 HydrophobicContact CG2-CG1 3.74Å; I1606-V1626 HydrophobicContact CG2-CG2 3.69Å; I1606-Y1637 HydrophobicContact CD1-CD2 4.25Å; I1606-Y1637 HydrophobicContact CD1-CE2 4.25Å
1607K84.8Confident83.3Confident107 Ų10773 Ų7347%0.46536%0.356SS..EExtended strand (participates in β ladder)trans-66.4143.3174.7-62.7-173.4-178.7-177.10111.9D1593 F1605 H1609 N1610D1593-K1607 CarbonylContact O-C 3.52Å; D1593-K1607 WeakPolarHBondContact O-CA 3.41Å; F1605-K1607 HydrophobicContact CD1-CG 4.05Å; F1605-K1607 HydrophobicContact CE1-CG 3.74Å; K1607-H1609 VanDerWaalsContact C-N 3.31Å; K1607-H1609 PolarHBondContact O-N 2.95Å; K1607-N1610 PolarHBondContact O-N 3.33Å
1608L82.1Confident82.3Confident41 Ų4181.2 Ų81.222%0.21539%0.391CS..G310 helixtrans-45.5-50.2-177.7-144.583.7000113.2D1593 N1610 I1611 W1651 I1654 A1658D1593-L1608 PolarHBondContact O-N 2.89Å; L1608-N1610 VanDerWaalsContact C-N 3.25Å; L1608-N1610 PolarHBondContact O-N 3.15Å; L1608-I1611 WeakPolarHBondContact O-CB 3.2Å; L1608-I1611 PolarHBondContact O-N 3.43Å; L1608-I1611 VanDerWaalsContact O-N 3.09Å; L1608-W1651 HydrophobicContact CD1-CE3 4.4Å; L1608-W1651 HydrophobicContact CD1-CH2 3.95Å; L1608-W1651 HydrophobicContact CD1-CZ3 3.45Å; L1608-W1651 VanDerWaalsContact CD1-CZ3 3.45Å; L1608-W1651 HydrophobicContact CG-CH2 3.97Å; L1608-W1651 HydrophobicContact CG-CZ3 4.01Å; L1608-I1654 HydrophobicContact CD1-CG2 3.66Å; L1608-I1654 HydrophobicContact CD2-CG2 4.07Å; L1608-A1658 HydrophobicContact CD2-CB 4.3Å
1609H83Confident81.5Confident124 Ų12480.7 Ų80.757%0.57440%0.398SS*.G310 helixtrans-68.9-14.5-175.359.3-110.5000115.3K1607K1607-H1609 VanDerWaalsContact C-N 3.31Å; K1607-H1609 PolarHBondContact O-N 2.95Å
1610N85.9Confident81.2Confident30 Ų3083.6 Ų83.616%0.1641%0.411CS..G310 helixtrans-86.1-12.9174.4-74-22.6000112.3K1607 L1608 V1626 Y1627 Q1629K1607-N1610 PolarHBondContact O-N 3.33Å; L1608-N1610 VanDerWaalsContact C-N 3.25Å; L1608-N1610 PolarHBondContact O-N 3.15Å; N1610-V1626 HydrophobicContact CB-CG1 4.03Å; N1610-V1626 CarbonylContact O-C 3.58Å; N1610-V1626 WeakPolarHBondContact O-CA 3.45Å; N1610-Y1627 PolarHBondContact O-N 3.22Å; N1610-Q1629 PolarHBondContact OD1-NE2 3.04Å
1611I86.4Confident81.7Confident16 Ų1682.8 Ų82.88%0.08240%0.395CS..EExtended strand (participates in β ladder)trans-83.7120.5-177.8-59.5165.8000108.6F1595 I1606 L1608 I1624 V1626 W1651F1595-I1611 HydrophobicContact CD2-CD1 3.61Å; F1595-I1611 HydrophobicContact CE2-CD1 3.79Å; I1606-I1611 HydrophobicContact CG2-CD1 3.76Å; I1606-I1611 HydrophobicContact CG2-CG1 3.46Å; I1606-I1611 VanDerWaalsContact CG2-CG1 3.46Å; L1608-I1611 WeakPolarHBondContact O-CB 3.2Å; L1608-I1611 PolarHBondContact O-N 3.43Å; L1608-I1611 VanDerWaalsContact O-N 3.09Å; I1611-I1624 HydrophobicContact CG1-CG2 4.2Å; I1611-I1624 HydrophobicContact CG2-CG2 3.86Å; I1611-V1626 HydrophobicContact CG1-CG2 4.46Å; I1611-W1651 HydrophobicContact CB-CH2 3.66Å; I1611-W1651 HydrophobicContact CB-CZ2 3.94Å; I1611-W1651 HydrophobicContact CD1-CE3 4.48Å; I1611-W1651 HydrophobicContact CD1-CH2 3.47Å; I1611-W1651 VanDerWaalsContact CD1-CH2 3.47Å; I1611-W1651 HydrophobicContact CD1-CZ2 4.39Å; I1611-W1651 HydrophobicContact CD1-CZ3 3.5Å; I1611-W1651 HydrophobicContact CG1-CH2 4.14Å; I1611-W1651 HydrophobicContact CG2-CH2 3.7Å; I1611-W1651 HydrophobicContact CG2-CZ2 3.53Å
1612K85.7Confident82.3Confident145 Ų14575.7 Ų75.763%0.6336%0.357SS*.EExtended strand (participates in β ladder)trans-93.2-28.8178.5-70.4-60.9-173.8-174.10112.8D1625 M1634K1612-D1625 PolarHBondContact N-O 3.46Å; K1612-M1634 HydrophobicContact CB-CE 4.12Å; K1612-M1634 HydrophobicContact CB-SD 4.11Å; K1612-M1634 HydrophobicContact CG-CE 4.47Å; K1612-M1634 HydrophobicContact CG-SD 3.85Å
1613R84.6Confident83.1Confident150 Ų15068.2 Ų68.257%0.56632%0.323SS*.EExtended strand (participates in β ladder)trans-160.7139.6-178.7168174.8173.8151.5-0.2110.6C1615 D1625R1613-C1615 PolarHBondContact NE-SG 3.08Å; R1613-D1625 HydrophobicContact CB-CB 4.11Å; R1613-D1625 WeakPolarHBondContact CD-OD2 3.45Å; R1613-D1625 PolarHBondContact N-O 2.92Å; R1613-D1625 PolarHBondContact O-N 3.01Å
1614C85.3Confident83.3Confident16 Ų1662.8 Ų62.811%0.10830%0.297CS..EExtended strand (participates in β ladder)trans-118.6137.1160.8-68.50000108.1F1622 T1623 L1648 W1651C1614-F1622 HydrophobicContact CB-CE2 4.17Å; C1614-F1622 HydrophobicContact CB-CZ 4Å; C1614-T1623 CarbonylContact C-O 3.48Å; C1614-T1623 VanDerWaalsContact CA-O 3.31Å; C1614-T1623 WeakPolarHBondContact CA-O 3.47Å; C1614-L1648 HydrophobicContact CB-CD1 4.01Å; C1614-L1648 WeakPolarHBondContact O-CD1 3.48Å; C1614-W1651 HydrophobicContact CB-CD2 4.38Å; C1614-W1651 HydrophobicContact CB-CG 3.96Å
1615C86.5Confident83.4Confident24 Ų2459.9 Ų59.916%0.16229%0.286CS..EExtended strand (participates in β ladder)trans-154.815417258.70000112.6R1613 T1623R1613-C1615 PolarHBondContact NE-SG 3.08Å; C1615-T1623 PolarHBondContact N-O 3.18Å; C1615-T1623 WeakPolarHBondContact O-CB 3.36Å; C1615-T1623 PolarHBondContact O-N 2.9Å
1616T82.8Confident83.5Confident38 Ų3856 Ų5623%0.23327%0.269CS..EExtended strand (participates in β ladder)trans-98.9128.7176.348.70000112.1I1621 F1622 A1644 L1645 L1648T1616-I1621 CarbonylContact C-O 3.31Å; T1616-I1621 VanDerWaalsContact CA-O 3.3Å; T1616-I1621 WeakPolarHBondContact CA-O 3.1Å; T1616-F1622 HydrophobicContact CG2-CD2 4.27Å; T1616-A1644 HydrophobicContact CG2-CB 3.93Å; T1616-A1644 WeakPolarHBondContact CG2-O 3.21Å; T1616-L1645 HydrophobicContact CG2-CD2 4.14Å; T1616-L1648 HydrophobicContact CG2-CB 4.01Å; T1616-L1648 HydrophobicContact CG2-CD2 3.98Å
1617I76.7Confident83.6Confident82 Ų8260 Ų6042%0.42129%0.285SS..EExtended strand (participates in β ladder)trans-105.9129173-59.5173.2000107.9S1619 I1621I1617-S1619 PolarHBondContact O-N 3.15Å; I1617-S1619 VanDerWaalsContact O-N 3.11Å; I1617-I1621 HydrophobicContact CB-CB 4.17Å; I1617-I1621 PolarHBondContact N-O 2.93Å; I1617-I1621 WeakPolarHBondContact O-CB 3.44Å; I1617-I1621 PolarHBondContact O-N 3.1Å
1618K68.9Low83.6Confident183 Ų18355.6 Ų55.680%0.79627%0.266SS*.THydrogen-bonded Turntrans51.730.2-178-60.9177.4178.5-179.40114.7E1620K1618-E1620 PolarHBondContact O-N 2.85Å
1619S66.8Low83.5Confident69 Ų6959.1 Ų59.148%0.48328%0.282SS..THydrogen-bonded Turntrans60.8-14.9-178.5-55.10000117.7I1617I1617-S1619 PolarHBondContact O-N 3.15Å; I1617-S1619 VanDerWaalsContact O-N 3.11Å
1620E75.7Confident83.4Confident76 Ų7661.7 Ų61.736%0.35529%0.294SS..THydrogen-bonded Turntrans-107.4-15.3-179.6-62179.8177.200114.3L1436 K1618 Q1640 T1641L1436-E1620 VanDerWaalsContact CD2-CD 3.5Å; L1436-E1620 WeakPolarHBondContact CD2-OE2 3.37Å; K1618-E1620 PolarHBondContact O-N 2.85Å; E1620-Q1640 HydrophobicContact CB-CG 4.27Å; E1620-Q1640 CarbonylContact O-C 3.53Å; E1620-Q1640 WeakPolarHBondContact O-CA 3.38Å; E1620-Q1640 PolarHBondContact OE2-NE2 3.34Å; E1620-T1641 CarbonylContact C-O 3.2Å; E1620-T1641 PolarHBondContact O-N 3.05Å
1621I84.7Confident83.2Confident33 Ų3367.3 Ų67.317%0.16932%0.317CS..EExtended strand (participates in β ladder)trans-108102.9-174.9-54.6175.7000109.3L1580 T1616 I1617 F1639L1580-I1621 HydrophobicContact CD1-CB 4.33Å; L1580-I1621 HydrophobicContact CD1-CD1 3.93Å; L1580-I1621 HydrophobicContact CD1-CG1 3.95Å; L1580-I1621 HydrophobicContact CD1-CG2 3.53Å; T1616-I1621 CarbonylContact C-O 3.31Å; T1616-I1621 VanDerWaalsContact CA-O 3.3Å; T1616-I1621 WeakPolarHBondContact CA-O 3.1Å; I1617-I1621 HydrophobicContact CB-CB 4.17Å; I1617-I1621 PolarHBondContact N-O 2.93Å; I1617-I1621 WeakPolarHBondContact O-CB 3.44Å; I1617-I1621 PolarHBondContact O-N 3.1Å; I1621-F1639 CarbonylContact C-O 3.52Å; I1621-F1639 WeakPolarHBondContact CA-O 3.05Å
1622F87.6Confident83Confident0 Ų074.5 Ų74.50%035%0.347CS..EExtended strand (participates in β ladder)trans-77.3124.5170.1-166.8-119.3000109.3F1595 C1614 T1616 I1624 F1639 T1641 A1644 M1647 L1648F1595-F1622 HydrophobicContact CE1-CE1 4.14Å; F1595-F1622 HydrophobicContact CE1-CZ 4.41Å; F1595-F1622 AromaticContact CZ-CE1 3.99Å; F1595-F1622 HydrophobicContact CZ-CE1 3.99Å; F1595-F1622 AromaticContact CZ-CZ 3.96Å; F1595-F1622 HydrophobicContact CZ-CZ 3.96Å; C1614-F1622 HydrophobicContact CB-CE2 4.17Å; C1614-F1622 HydrophobicContact CB-CZ 4Å; T1616-F1622 HydrophobicContact CG2-CD2 4.27Å; F1622-I1624 HydrophobicContact CD1-CD1 4.06Å; F1622-I1624 HydrophobicContact CD1-CG1 3.8Å; F1622-I1624 HydrophobicContact CE1-CD1 3.61Å; F1622-I1624 HydrophobicContact CE1-CG1 3.49Å; F1622-I1624 VanDerWaalsContact CE1-CG1 3.49Å; F1622-I1624 HydrophobicContact CZ-CG1 4.3Å; F1622-F1639 PolarHBondContact N-O 2.99Å; F1622-F1639 PolarHBondContact O-N 2.94Å; F1622-T1641 HydrophobicContact CB-CG2 4.23Å; F1622-A1644 HydrophobicContact CB-CB 3.79Å; F1622-A1644 WeakPolarHBondContact CD2-O 3.46Å; F1622-M1647 HydrophobicContact CB-SD 4.28Å; F1622-M1647 HydrophobicContact CD1-CB 4.15Å; F1622-M1647 HydrophobicContact CD1-CE 3.55Å; F1622-M1647 HydrophobicContact CD1-SD 3.69Å; F1622-M1647 HydrophobicContact CD2-CB 3.76Å; F1622-M1647 HydrophobicContact CE1-CB 3.99Å; F1622-M1647 HydrophobicContact CE1-CE 3.52Å; F1622-M1647 HydrophobicContact CE1-SD 4.15Å; F1622-M1647 HydrophobicContact CE2-CB 3.62Å; F1622-M1647 HydrophobicContact CG-CB 4.04Å; F1622-M1647 HydrophobicContact CG-CE 4.4Å; F1622-M1647 HydrophobicContact CG-SD 3.97Å; F1622-M1647 HydrophobicContact CZ-CB 3.74Å; F1622-M1647 HydrophobicContact CZ-CE 4.36Å; F1622-L1648 HydrophobicContact CE2-CB 4.12Å; F1622-L1648 HydrophobicContact CE2-CD1 4.39Å
1623T89.5Confident83.1Confident7 Ų769.5 Ų69.54%0.04333%0.333CS..EExtended strand (participates in β ladder)trans-119127.2-178.1-50.30000109.2C1614 C1615 T1636 Y1637 R1638C1614-T1623 CarbonylContact C-O 3.48Å; C1614-T1623 VanDerWaalsContact CA-O 3.31Å; C1614-T1623 WeakPolarHBondContact CA-O 3.47Å; C1615-T1623 PolarHBondContact N-O 3.18Å; C1615-T1623 WeakPolarHBondContact O-CB 3.36Å; C1615-T1623 PolarHBondContact O-N 2.9Å; T1623-T1636 HydrophobicContact CG2-CG2 3.52Å; T1623-Y1637 WeakPolarHBondContact CA-O 3.42Å; T1623-R1638 HydrophobicContact CG2-CG 4.18Å
1624I89.4Confident83.1Confident0 Ų067.4 Ų67.40%033%0.331CS..EExtended strand (participates in β ladder)trans-120117.7178.2-44.5179.9000108.8F1595 I1606 I1611 F1622 V1626 T1636 Y1637 F1639F1595-I1624 HydrophobicContact CD2-CD1 4.09Å; F1595-I1624 HydrophobicContact CE2-CD1 4.27Å; F1595-I1624 HydrophobicContact CG-CD1 4.35Å; I1606-I1624 HydrophobicContact CD1-CD1 4.5Å; I1611-I1624 HydrophobicContact CG1-CG2 4.2Å; I1611-I1624 HydrophobicContact CG2-CG2 3.86Å; F1622-I1624 HydrophobicContact CD1-CD1 4.06Å; F1622-I1624 HydrophobicContact CD1-CG1 3.8Å; F1622-I1624 HydrophobicContact CE1-CD1 3.61Å; F1622-I1624 HydrophobicContact CE1-CG1 3.49Å; F1622-I1624 VanDerWaalsContact CE1-CG1 3.49Å; F1622-I1624 HydrophobicContact CZ-CG1 4.3Å; I1624-V1626 HydrophobicContact CB-CG2 4.42Å; I1624-V1626 HydrophobicContact CG2-CG2 3.65Å; I1624-T1636 WeakPolarHBondContact O-CA 3.49Å; I1624-Y1637 PolarHBondContact N-O 2.92Å; I1624-Y1637 PolarHBondContact O-N 3.06Å; I1624-F1639 HydrophobicContact CD1-CD2 4.33Å; I1624-F1639 HydrophobicContact CD1-CE2 3.9Å; I1624-F1639 HydrophobicContact CG1-CD2 4.49Å; I1624-F1639 HydrophobicContact CG1-CE2 4.3Å
1625D89.8Confident83.3Confident22 Ų2268.4 Ų68.412%0.11834%0.335CS..EExtended strand (participates in β ladder)trans-92.6115.8170.2-63.6-47.1000109.8K1612 R1613 M1634 T1636K1612-D1625 PolarHBondContact N-O 3.46Å; R1613-D1625 HydrophobicContact CB-CB 4.11Å; R1613-D1625 WeakPolarHBondContact CD-OD2 3.45Å; R1613-D1625 PolarHBondContact N-O 2.92Å; R1613-D1625 PolarHBondContact O-N 3.01Å; D1625-M1634 HydrophobicContact CB-CE 3.71Å; D1625-T1636 VanDerWaalsContact OD1-CB 3.31Å; D1625-T1636 WeakPolarHBondContact OD1-CB 3.36Å; D1625-T1636 VanDerWaalsContact OD1-CG2 3.26Å; D1625-T1636 WeakPolarHBondContact OD1-CG2 3.4Å; D1625-T1636 PolarHBondContact OD1-OG1 3.07Å
1626V90.3Very high83.4Confident7 Ų770.5 Ų70.54%0.04235%0.347CS..EExtended strand (participates in β ladder)trans-117.4129.9-175.2-174.70000110I1606 N1610 I1611 I1624 D1628 M1634 I1635 Y1637I1606-V1626 HydrophobicContact CD1-CG2 3.95Å; I1606-V1626 HydrophobicContact CG1-CG2 4.36Å; I1606-V1626 HydrophobicContact CG2-CB 4.41Å; I1606-V1626 HydrophobicContact CG2-CG1 3.74Å; I1606-V1626 HydrophobicContact CG2-CG2 3.69Å; N1610-V1626 HydrophobicContact CB-CG1 4.03Å; N1610-V1626 CarbonylContact O-C 3.58Å; N1610-V1626 WeakPolarHBondContact O-CA 3.45Å; I1611-V1626 HydrophobicContact CG1-CG2 4.46Å; I1624-V1626 HydrophobicContact CB-CG2 4.42Å; I1624-V1626 HydrophobicContact CG2-CG2 3.65Å; V1626-D1628 PolarHBondContact O-N 2.93Å; V1626-M1634 CarbonylContact O-C 3.55Å; V1626-M1634 WeakPolarHBondContact O-CA 3.45Å; V1626-I1635 PolarHBondContact N-O 2.82Å; V1626-I1635 PolarHBondContact O-N 3.08Å; V1626-Y1637 HydrophobicContact CB-CD2 4.48Å; V1626-Y1637 HydrophobicContact CB-CE2 4.34Å; V1626-Y1637 HydrophobicContact CG2-CD2 3.88Å; V1626-Y1637 HydrophobicContact CG2-CE2 4.08Å
1627Y89.2Confident83.7Confident90 Ų9070.5 Ų70.535%0.35334%0.343SS..EExtended strand (participates in β ladder)trans-81.7107.4166-173.9-100000109.7N1610 Q1629N1610-Y1627 PolarHBondContact O-N 3.22Å; Y1627-Q1629 HydrophobicContact CD1-CG 4.44Å
1628D84.7Confident84.3Confident14 Ų1472.1 Ų72.18%0.07534%0.344CS..EExtended strand (participates in β ladder)trans-85113.6179-167.4-53.2000109.6K1604 V1626 E1630 K1631 K1632 A1633 I1635K1604-D1628 IonicContact NZ-OD2 2.74Å; K1604-D1628 PolarHBondContact NZ-OD2 3.38Å; V1626-D1628 PolarHBondContact O-N 2.93Å; D1628-E1630 VanDerWaalsContact C-N 3.31Å; D1628-E1630 PolarHBondContact O-N 3.27Å; D1628-E1630 PolarHBondContact OD1-N 3.1Å; D1628-K1631 HydrophobicContact CB-CB 4.44Å; D1628-K1631 PolarHBondContact O-N 3.25Å; D1628-K1631 PolarHBondContact OD1-N 2.83Å; D1628-K1632 WeakPolarHBondContact O-CA 3.47Å; D1628-K1632 PolarHBondContact O-N 3.21Å; D1628-A1633 PolarHBondContact N-O 3.11Å; D1628-A1633 PolarHBondContact O-N 3.44Å; D1628-I1635 HydrophobicContact CB-CD1 3.47Å; D1628-I1635 VanDerWaalsContact CB-CD1 3.47Å; D1628-I1635 HydrophobicContact CB-CG1 3.93Å; D1628-I1635 WeakPolarHBondContact OD2-CD1 3.06Å
1629Q80.8Confident85.2Confident116 Ų11663.4 Ų63.454%0.54231%0.306SS..THydrogen-bonded Turntrans-67.5-29.4-172.4-62.3-17612.200113N1610 Y1627N1610-Q1629 PolarHBondContact OD1-NE2 3.04Å; Y1627-Q1629 HydrophobicContact CD1-CG 4.44Å
1630E80.6Confident86Confident178 Ų17861.6 Ų61.683%0.83229%0.29SS*.THydrogen-bonded Turntrans-73.8-43.7178.8-61.6-174.5159.600110.7D1628D1628-E1630 VanDerWaalsContact C-N 3.31Å; D1628-E1630 PolarHBondContact O-N 3.27Å; D1628-E1630 PolarHBondContact OD1-N 3.1Å
1631K80.4Confident86.1Confident148 Ų14858.3 Ų58.364%0.64328%0.275SS*.THydrogen-bonded Turntrans-85.1-9.6-179.3-59.1-171.6-176.3179.60113.7D1628 A1633 I1635D1628-K1631 HydrophobicContact CB-CB 4.44Å; D1628-K1631 PolarHBondContact O-N 3.25Å; D1628-K1631 PolarHBondContact OD1-N 2.83Å; K1631-A1633 HydrophobicContact CB-CB 4.36Å; K1631-A1633 PolarHBondContact O-N 3.39Å; K1631-I1635 HydrophobicContact CD-CD1 4.21Å
1632K83.8Confident85.4Confident167 Ų16758.8 Ų58.873%0.72628%0.278SS*.THydrogen-bonded Turntrans50.235.9-174.4-61.6-175.1178.5-179.60113.2D1628D1628-K1632 WeakPolarHBondContact O-CA 3.47Å; D1628-K1632 PolarHBondContact O-N 3.21Å
1633A86.4Confident84.6Confident40 Ų4059.2 Ų59.233%0.33128%0.28SS..EExtended strand (participates in β ladder)trans-136.9153.6-170.800000111.4D1628 K1631D1628-A1633 PolarHBondContact N-O 3.11Å; D1628-A1633 PolarHBondContact O-N 3.44Å; K1631-A1633 HydrophobicContact CB-CB 4.36Å; K1631-A1633 PolarHBondContact O-N 3.39Å
1634M86.1Confident84.1Confident105 Ų10558.9 Ų58.952%0.51728%0.278SS..EExtended strand (participates in β ladder)trans-74.1129.5165.4-74.4-83.4-80.100109.4K1612 D1625 V1626K1612-M1634 HydrophobicContact CB-CE 4.12Å; K1612-M1634 HydrophobicContact CB-SD 4.11Å; K1612-M1634 HydrophobicContact CG-CE 4.47Å; K1612-M1634 HydrophobicContact CG-SD 3.85Å; D1625-M1634 HydrophobicContact CB-CE 3.71Å; V1626-M1634 CarbonylContact O-C 3.55Å; V1626-M1634 WeakPolarHBondContact O-CA 3.45Å
1635I87.7Confident83.2Confident38 Ų3862.8 Ų62.820%0.19530%0.298CS..EExtended strand (participates in β ladder)trans-116.9113.3171.5-54.7-175.6000107.2V1626 D1628 K1631 Y1637V1626-I1635 PolarHBondContact N-O 2.82Å; V1626-I1635 PolarHBondContact O-N 3.08Å; D1628-I1635 HydrophobicContact CB-CD1 3.47Å; D1628-I1635 VanDerWaalsContact CB-CD1 3.47Å; D1628-I1635 HydrophobicContact CB-CG1 3.93Å; D1628-I1635 WeakPolarHBondContact OD2-CD1 3.06Å; K1631-I1635 HydrophobicContact CD-CD1 4.21Å; I1635-Y1637 HydrophobicContact CB-CE2 4.17Å; I1635-Y1637 HydrophobicContact CG2-CD2 4.02Å; I1635-Y1637 HydrophobicContact CG2-CE1 4.34Å; I1635-Y1637 HydrophobicContact CG2-CE2 3.61Å
1636T89.9Confident82.2Confident67 Ų6763.1 Ų63.141%0.41130%0.3SS..EExtended strand (participates in β ladder)trans-87.1116.6171.1-57.90000108.8T1623 I1624 D1625 R1638T1623-T1636 HydrophobicContact CG2-CG2 3.52Å; I1624-T1636 WeakPolarHBondContact O-CA 3.49Å; D1625-T1636 VanDerWaalsContact OD1-CB 3.31Å; D1625-T1636 WeakPolarHBondContact OD1-CB 3.36Å; D1625-T1636 VanDerWaalsContact OD1-CG2 3.26Å; D1625-T1636 WeakPolarHBondContact OD1-CG2 3.4Å; D1625-T1636 PolarHBondContact OD1-OG1 3.07Å; T1636-R1638 HydrophobicContact CG2-CG 4.15Å
1637Y89.1Confident81.5Confident38 Ų3862.8 Ų62.815%0.14930%0.298CS..EExtended strand (participates in β ladder)trans-95.9135.5171-70.6-83.7000110.4I1597 K1604 I1606 T1623 I1624 V1626 I1635 F1639I1597-Y1637 HydrophobicContact CD1-CD1 4.31Å; I1597-Y1637 HydrophobicContact CD1-CE1 4.13Å; K1604-Y1637 PolarHBondContact NZ-OH 3.2Å; K1604-Y1637 VanDerWaalsContact NZ-OH 3.1Å; I1606-Y1637 HydrophobicContact CD1-CD2 4.25Å; I1606-Y1637 HydrophobicContact CD1-CE2 4.25Å; T1623-Y1637 WeakPolarHBondContact CA-O 3.42Å; I1624-Y1637 PolarHBondContact N-O 2.92Å; I1624-Y1637 PolarHBondContact O-N 3.06Å; V1626-Y1637 HydrophobicContact CB-CD2 4.48Å; V1626-Y1637 HydrophobicContact CB-CE2 4.34Å; V1626-Y1637 HydrophobicContact CG2-CD2 3.88Å; V1626-Y1637 HydrophobicContact CG2-CE2 4.08Å; I1635-Y1637 HydrophobicContact CB-CE2 4.17Å; I1635-Y1637 HydrophobicContact CG2-CD2 4.02Å; I1635-Y1637 HydrophobicContact CG2-CE1 4.34Å; I1635-Y1637 HydrophobicContact CG2-CE2 3.61Å; Y1637-F1639 AromaticContact CD1-CZ 3.93Å; Y1637-F1639 HydrophobicContact CD1-CZ 3.93Å; Y1637-F1639 HydrophobicContact CG-CE2 4.33Å; Y1637-F1639 HydrophobicContact CG-CZ 4.01Å
1638R89.5Confident81.1Confident116 Ų11659.9 Ų59.944%0.43829%0.288SS..EExtended strand (participates in β ladder)trans-123.3116.7-179.6-62.9179.6-64179.71.7111.4L1580 D1581 T1623 T1636L1580-R1638 HydrophobicContact CB-CB 4.12Å; L1580-R1638 WeakPolarHBondContact CB-O 3.47Å; L1580-R1638 HydrophobicContact CD1-CB 4.13Å; L1580-R1638 PolarHBondContact N-O 3.05Å; D1581-R1638 IonicContact OD1-CZ 2.77Å; D1581-R1638 VanDerWaalsContact OD1-CZ 3.24Å; D1581-R1638 IonicContact OD1-NE 2.66Å; D1581-R1638 PolarHBondContact OD1-NE 3.45Å; D1581-R1638 IonicContact OD1-NH2 3.24Å; D1581-R1638 PolarHBondContact OD1-NH2 3.25Å; D1581-R1638 PolarHBondContact OD2-N 3.02Å; T1623-R1638 HydrophobicContact CG2-CG 4.18Å; T1636-R1638 HydrophobicContact CG2-CG 4.15Å
1639F86.7Confident80.4Confident1 Ų161.6 Ų61.60%0.00430%0.301CS..EExtended strand (participates in β ladder)trans-120.1120.4-176.5-55.4-63.2000110.7A1577 T1578 N1579 I1588 I1597 F1599 I1621 F1622 I1624 Y1637A1577-F1639 HydrophobicContact CB-CB 4.25Å; T1578-F1639 CarbonylContact O-C 3.32Å; T1578-F1639 WeakPolarHBondContact O-CA 3.41Å; N1579-F1639 HydrophobicContact CB-CD1 4.14Å; N1579-F1639 HydrophobicContact CB-CE1 4.2Å; I1588-F1639 HydrophobicContact CD1-CB 3.87Å; I1588-F1639 HydrophobicContact CD1-CD1 4.12Å; I1588-F1639 HydrophobicContact CD1-CD2 3.62Å; I1588-F1639 HydrophobicContact CD1-CE2 4.16Å; I1588-F1639 HydrophobicContact CD1-CG 3.59Å; I1597-F1639 HydrophobicContact CD1-CZ 4.06Å; I1597-F1639 HydrophobicContact CG2-CE1 4.27Å; I1597-F1639 HydrophobicContact CG2-CE2 4.05Å; I1597-F1639 HydrophobicContact CG2-CZ 3.69Å; F1599-F1639 HydrophobicContact CD2-CE1 4.3Å; F1599-F1639 AromaticContact CE2-CD1 3.77Å; F1599-F1639 HydrophobicContact CE2-CD1 3.77Å; F1599-F1639 AromaticContact CE2-CE1 3.4Å; F1599-F1639 HydrophobicContact CE2-CE1 3.4Å; F1599-F1639 HydrophobicContact CE2-CZ 4.26Å; F1599-F1639 AromaticContact CZ-CD1 3.6Å; F1599-F1639 HydrophobicContact CZ-CD1 3.6Å; F1599-F1639 AromaticContact CZ-CE1 3.75Å; F1599-F1639 HydrophobicContact CZ-CE1 3.75Å; I1621-F1639 CarbonylContact C-O 3.52Å; I1621-F1639 WeakPolarHBondContact CA-O 3.05Å; F1622-F1639 PolarHBondContact N-O 2.99Å; F1622-F1639 PolarHBondContact O-N 2.94Å; I1624-F1639 HydrophobicContact CD1-CD2 4.33Å; I1624-F1639 HydrophobicContact CD1-CE2 3.9Å; I1624-F1639 HydrophobicContact CG1-CD2 4.49Å; I1624-F1639 HydrophobicContact CG1-CE2 4.3Å; Y1637-F1639 AromaticContact CD1-CZ 3.93Å; Y1637-F1639 HydrophobicContact CD1-CZ 3.93Å; Y1637-F1639 HydrophobicContact CG-CE2 4.33Å; Y1637-F1639 HydrophobicContact CG-CZ 4.01Å
1640Q83.6Confident79.8Confident31 Ų3157.4 Ų57.415%0.14528%0.282CS..EExtended strand (participates in β ladder)trans-83.1118.7167.7-166.1175.724.700109.8R1440 A1577 T1578 L1580 E1620R1440-Q1640 VanDerWaalsContact NH1-OE1 3.08Å; R1440-Q1640 VanDerWaalsContact NH2-CD 3.33Å; A1577-Q1640 WeakPolarHBondContact CA-O 3.47Å; T1578-Q1640 PolarHBondContact N-O 3.45Å; T1578-Q1640 PolarHBondContact O-N 2.91Å; T1578-Q1640 PolarHBondContact OG1-O 3Å; L1580-Q1640 HydrophobicContact CD1-CB 4.15Å; L1580-Q1640 HydrophobicContact CD2-CB 4.08Å; L1580-Q1640 HydrophobicContact CG-CB 4.08Å; E1620-Q1640 HydrophobicContact CB-CG 4.27Å; E1620-Q1640 CarbonylContact O-C 3.53Å; E1620-Q1640 WeakPolarHBondContact O-CA 3.38Å; E1620-Q1640 PolarHBondContact OE2-NE2 3.34Å
1641T78.7Confident79.6Confident6 Ų649.8 Ų49.84%0.03725%0.246CC..  trans-152.2137.2177.3175.50000109.6N1576 A1577 E1620 F1622 M1643 A1644 M1647N1576-T1641 VanDerWaalsContact O-CB 3.31Å; N1576-T1641 WeakPolarHBondContact O-CB 3.07Å; N1576-T1641 PolarHBondContact O-OG1 2.93Å; A1577-T1641 HydrophobicContact CB-CG2 4.45Å; E1620-T1641 CarbonylContact C-O 3.2Å; E1620-T1641 PolarHBondContact O-N 3.05Å; F1622-T1641 HydrophobicContact CB-CG2 4.23Å; T1641-M1643 PolarHBondContact O-N 3.22Å; T1641-M1643 VanDerWaalsContact O-N 3.07Å; T1641-M1643 PolarHBondContact OG1-N 3.36Å; T1641-A1644 HydrophobicContact CG2-CB 4.07Å; T1641-A1644 WeakPolarHBondContact O-CB 3.38Å; T1641-A1644 PolarHBondContact O-N 2.99Å; T1641-A1644 VanDerWaalsContact O-N 3.08Å; T1641-M1647 HydrophobicContact CG2-SD 3.88Å
1642D68.7Low79.3Confident44 Ų4448 Ų4824%0.23524%0.238CC..THydrogen-bonded Turntrans-70.43.4174.155.6-49.1000113.3K1390K1390-D1642 WeakPolarHBondContact CE-OD2 3.44Å; K1390-D1642 IonicContact NZ-OD2 2.71Å; K1390-D1642 PolarHBondContact NZ-OD2 3.08Å
1643M72.7Confident78.4Confident9 Ų942.5 Ų42.54%0.04422%0.221CC..THydrogen-bonded Turntrans-100.25168.8-69.7-65.5-94.400114.3L1387 K1390 I1575 T1641 L1645 I1646 M1647L1387-M1643 HydrophobicContact CB-CE 4.49Å; L1387-M1643 HydrophobicContact CG-CE 4.3Å; K1390-M1643 HydrophobicContact CB-CE 3.69Å; K1390-M1643 HydrophobicContact CB-SD 3.66Å; K1390-M1643 HydrophobicContact CD-CG 4.47Å; K1390-M1643 HydrophobicContact CD-SD 3.59Å; K1390-M1643 VanDerWaalsContact CD-SD 3.59Å; K1390-M1643 HydrophobicContact CG-CE 3.95Å; K1390-M1643 HydrophobicContact CG-CG 4.11Å; K1390-M1643 HydrophobicContact CG-SD 3.34Å; K1390-M1643 WeakPolarHBondContact CG-SD 3.43Å; I1575-M1643 HydrophobicContact CD1-CB 4.41Å; I1575-M1643 HydrophobicContact CG2-CB 3.58Å; I1575-M1643 HydrophobicContact CG2-CG 3.91Å; T1641-M1643 PolarHBondContact O-N 3.22Å; T1641-M1643 VanDerWaalsContact O-N 3.07Å; T1641-M1643 PolarHBondContact OG1-N 3.36Å; M1643-L1645 VanDerWaalsContact C-N 3.33Å; M1643-L1645 PolarHBondContact O-N 2.92Å; M1643-I1646 HydrophobicContact CE-CB 4.28Å; M1643-I1646 HydrophobicContact CE-CD1 4.08Å; M1643-I1646 HydrophobicContact CE-CG2 3.83Å; M1643-I1646 CarbonylContact O-C 3.28Å; M1643-I1646 WeakPolarHBondContact O-CA 3.21Å; M1643-I1646 WeakPolarHBondContact O-CB 3.48Å; M1643-I1646 PolarHBondContact O-N 3.46Å; M1643-I1646 HydrophobicContact SD-CB 4.28Å; M1643-I1646 HydrophobicContact SD-CD1 3.37Å; M1643-I1646 WeakPolarHBondContact SD-CD1 3.46Å; M1643-I1646 HydrophobicContact SD-CG1 4.43Å; M1643-I1646 HydrophobicContact SD-CG2 4.47Å; M1643-M1647 HydrophobicContact CB-CG 4.46Å; M1643-M1647 PolarHBondContact O-N 3.49Å
1644A79Confident77.6Confident0 Ų041 Ų410%021%0.208CC..Hα-helixtrans-57.6-39.2-168.100000114.4T1616 F1622 T1641 I1646 L1648T1616-A1644 HydrophobicContact CG2-CB 3.93Å; T1616-A1644 WeakPolarHBondContact CG2-O 3.21Å; F1622-A1644 HydrophobicContact CB-CB 3.79Å; F1622-A1644 WeakPolarHBondContact CD2-O 3.46Å; T1641-A1644 HydrophobicContact CG2-CB 4.07Å; T1641-A1644 WeakPolarHBondContact O-CB 3.38Å; T1641-A1644 PolarHBondContact O-N 2.99Å; T1641-A1644 VanDerWaalsContact O-N 3.08Å; A1644-I1646 VanDerWaalsContact C-N 3.32Å; A1644-I1646 PolarHBondContact O-N 2.86Å; A1644-L1648 PolarHBondContact O-N 3.17Å; A1644-L1648 VanDerWaalsContact O-N 3.14Å
1645L70.5Confident77Confident82 Ų8239.1 Ų39.143%0.42920%0.199SC..Hα-helixtrans-66-32.7174-72.3171.3000113T1616 M1643 L1648 S1649T1616-L1645 HydrophobicContact CG2-CD2 4.14Å; M1643-L1645 VanDerWaalsContact C-N 3.33Å; M1643-L1645 PolarHBondContact O-N 2.92Å; L1645-L1648 WeakPolarHBondContact O-CB 3.31Å; L1645-L1648 PolarHBondContact O-N 3.39Å; L1645-S1649 PolarHBondContact O-N 3.23Å
1646I68.1Low76Confident28 Ų2842.3 Ų42.314%0.14421%0.213CC..Hα-helixtrans-80.4-36.7-177.1-63.7152.1000110.1L1386 M1643 A1644 L1648 S1649 L1650L1386-I1646 HydrophobicContact CD1-CG1 4.14Å; L1386-I1646 HydrophobicContact CD1-CG2 4.45Å; L1386-I1646 HydrophobicContact CD2-CD1 3.45Å; L1386-I1646 VanDerWaalsContact CD2-CD1 3.45Å; L1386-I1646 HydrophobicContact CD2-CG1 3.7Å; L1386-I1646 HydrophobicContact CD2-CG2 4.25Å; M1643-I1646 HydrophobicContact CE-CB 4.28Å; M1643-I1646 HydrophobicContact CE-CD1 4.08Å; M1643-I1646 HydrophobicContact CE-CG2 3.83Å; M1643-I1646 CarbonylContact O-C 3.28Å; M1643-I1646 WeakPolarHBondContact O-CA 3.21Å; M1643-I1646 WeakPolarHBondContact O-CB 3.48Å; M1643-I1646 PolarHBondContact O-N 3.46Å; M1643-I1646 HydrophobicContact SD-CB 4.28Å; M1643-I1646 HydrophobicContact SD-CD1 3.37Å; M1643-I1646 WeakPolarHBondContact SD-CD1 3.46Å; M1643-I1646 HydrophobicContact SD-CG1 4.43Å; M1643-I1646 HydrophobicContact SD-CG2 4.47Å; A1644-I1646 VanDerWaalsContact C-N 3.32Å; A1644-I1646 PolarHBondContact O-N 2.86Å; I1646-L1648 PolarHBondContact O-N 2.8Å; I1646-S1649 PolarHBondContact O-N 3.13Å; I1646-S1649 PolarHBondContact O-OG 3.07Å; I1646-L1650 HydrophobicContact CG2-CD1 4.11Å; I1646-L1650 WeakPolarHBondContact O-CB 3.45Å; I1646-L1650 WeakPolarHBondContact O-CG 3.46Å; I1646-L1650 PolarHBondContact O-N 2.8Å
1647M75.2Confident74.7Confident0 Ų042.1 Ų42.10%021%0.209CC..Hα-helixtrans-58.7-37.4165.7-65.8-171.876.200111.6I1575 I1588 I1590 F1595 F1622 T1641 M1643 W1651I1575-M1647 HydrophobicContact CD1-CG 3.56Å; I1575-M1647 HydrophobicContact CD1-SD 4.22Å; I1575-M1647 HydrophobicContact CG2-CG 4.49Å; I1575-M1647 HydrophobicContact CG2-SD 4.07Å; I1588-M1647 HydrophobicContact CB-CE 3.91Å; I1588-M1647 HydrophobicContact CD1-CE 3.87Å; I1588-M1647 HydrophobicContact CD1-SD 4.25Å; I1588-M1647 HydrophobicContact CG1-CE 4.45Å; I1588-M1647 HydrophobicContact CG2-CE 3.58Å; I1590-M1647 HydrophobicContact CD1-CG 4.32Å; F1595-M1647 HydrophobicContact CD1-CE 4.13Å; F1595-M1647 HydrophobicContact CE1-CE 3.82Å; F1622-M1647 HydrophobicContact CB-SD 4.28Å; F1622-M1647 HydrophobicContact CD1-CB 4.15Å; F1622-M1647 HydrophobicContact CD1-CE 3.55Å; F1622-M1647 HydrophobicContact CD1-SD 3.69Å; F1622-M1647 HydrophobicContact CD2-CB 3.76Å; F1622-M1647 HydrophobicContact CE1-CB 3.99Å; F1622-M1647 HydrophobicContact CE1-CE 3.52Å; F1622-M1647 HydrophobicContact CE1-SD 4.15Å; F1622-M1647 HydrophobicContact CE2-CB 3.62Å; F1622-M1647 HydrophobicContact CG-CB 4.04Å; F1622-M1647 HydrophobicContact CG-CE 4.4Å; F1622-M1647 HydrophobicContact CG-SD 3.97Å; F1622-M1647 HydrophobicContact CZ-CB 3.74Å; F1622-M1647 HydrophobicContact CZ-CE 4.36Å; T1641-M1647 HydrophobicContact CG2-SD 3.88Å; M1643-M1647 HydrophobicContact CB-CG 4.46Å; M1643-M1647 PolarHBondContact O-N 3.49Å; M1647-W1651 WeakPolarHBondContact O-CB 3.49Å; M1647-W1651 PolarHBondContact O-N 3.35Å
1648L80.1Confident73.5Confident29 Ų2941.8 Ų41.815%0.15221%0.214CC..Hα-helixtrans-72.3-35.7177.2-171.466000113C1614 T1616 F1622 A1644 L1645 I1646 K1652C1614-L1648 HydrophobicContact CB-CD1 4.01Å; C1614-L1648 WeakPolarHBondContact O-CD1 3.48Å; T1616-L1648 HydrophobicContact CG2-CB 4.01Å; T1616-L1648 HydrophobicContact CG2-CD2 3.98Å; F1622-L1648 HydrophobicContact CE2-CB 4.12Å; F1622-L1648 HydrophobicContact CE2-CD1 4.39Å; A1644-L1648 PolarHBondContact O-N 3.17Å; A1644-L1648 VanDerWaalsContact O-N 3.14Å; L1645-L1648 WeakPolarHBondContact O-CB 3.31Å; L1645-L1648 PolarHBondContact O-N 3.39Å; I1646-L1648 PolarHBondContact O-N 2.8Å; L1648-K1652 WeakPolarHBondContact O-CG 3.26Å; L1648-K1652 PolarHBondContact O-N 3.39Å; L1648-K1652 VanDerWaalsContact O-N 3.15Å
1649S70.3Confident72.4Confident50 Ų5042.3 Ų42.335%0.3523%0.225SC..Hα-helixtrans-70.6-45.7174.263.60000111.6L1645 I1646 W1651 K1652 S1653L1645-S1649 PolarHBondContact O-N 3.23Å; I1646-S1649 PolarHBondContact O-N 3.13Å; I1646-S1649 PolarHBondContact O-OG 3.07Å; S1649-W1651 VanDerWaalsContact C-N 3.31Å; S1649-W1651 PolarHBondContact O-N 2.81Å; S1649-K1652 WeakPolarHBondContact O-CB 3.42Å; S1649-K1652 PolarHBondContact O-N 3.42Å; S1649-K1652 VanDerWaalsContact O-N 3.11Å; S1649-S1653 PolarHBondContact O-N 3.34Å; S1649-S1653 PolarHBondContact O-OG 3.11Å
1650L69.2Low71.1Confident28 Ų2849.8 Ų49.815%0.14726%0.26CS..Hα-helixtrans-59.2-42.5175.3-70.4169000111.2D1570 I1590 I1646 K1652 S1653 I1654D1570-L1650 HydrophobicContact CB-CD1 4.34Å; D1570-L1650 HydrophobicContact CB-CD2 4.19Å; I1590-L1650 HydrophobicContact CD1-CB 4.02Å; I1590-L1650 HydrophobicContact CD1-CD1 3.78Å; I1646-L1650 HydrophobicContact CG2-CD1 4.11Å; I1646-L1650 WeakPolarHBondContact O-CB 3.45Å; I1646-L1650 WeakPolarHBondContact O-CG 3.46Å; I1646-L1650 PolarHBondContact O-N 2.8Å; L1650-K1652 PolarHBondContact O-N 3.32Å; L1650-S1653 PolarHBondContact O-N 3.12Å; L1650-I1654 WeakPolarHBondContact O-CD1 3.4Å; L1650-I1654 VanDerWaalsContact O-CG1 3.28Å; L1650-I1654 WeakPolarHBondContact O-CG1 3.46Å; L1650-I1654 PolarHBondContact O-N 2.87Å
1651W75.1Confident69.6Low18 Ų1852.6 Ų52.67%0.06828%0.283CS..Hα-helixtrans-58.2-42.3173.4175.5-104.5000113.4F1595 L1608 I1611 C1614 M1647 S1649 I1654 I1655F1595-W1651 HydrophobicContact CD2-CZ3 4.47Å; F1595-W1651 HydrophobicContact CE2-CD2 4.24Å; F1595-W1651 AromaticContact CE2-CE3 3.43Å; F1595-W1651 HydrophobicContact CE2-CE3 3.43Å; F1595-W1651 VanDerWaalsContact CE2-CE3 3.43Å; F1595-W1651 AromaticContact CE2-CZ3 3.7Å; F1595-W1651 HydrophobicContact CE2-CZ3 3.7Å; F1595-W1651 HydrophobicContact CZ-CB 4.45Å; F1595-W1651 HydrophobicContact CZ-CD2 4.36Å; F1595-W1651 AromaticContact CZ-CE3 3.71Å; F1595-W1651 HydrophobicContact CZ-CE3 3.71Å; F1595-W1651 HydrophobicContact CZ-CZ3 4.42Å; L1608-W1651 HydrophobicContact CD1-CE3 4.4Å; L1608-W1651 HydrophobicContact CD1-CH2 3.95Å; L1608-W1651 HydrophobicContact CD1-CZ3 3.45Å; L1608-W1651 VanDerWaalsContact CD1-CZ3 3.45Å; L1608-W1651 HydrophobicContact CG-CH2 3.97Å; L1608-W1651 HydrophobicContact CG-CZ3 4.01Å; I1611-W1651 HydrophobicContact CB-CH2 3.66Å; I1611-W1651 HydrophobicContact CB-CZ2 3.94Å; I1611-W1651 HydrophobicContact CD1-CE3 4.48Å; I1611-W1651 HydrophobicContact CD1-CH2 3.47Å; I1611-W1651 VanDerWaalsContact CD1-CH2 3.47Å; I1611-W1651 HydrophobicContact CD1-CZ2 4.39Å; I1611-W1651 HydrophobicContact CD1-CZ3 3.5Å; I1611-W1651 HydrophobicContact CG1-CH2 4.14Å; I1611-W1651 HydrophobicContact CG2-CH2 3.7Å; I1611-W1651 HydrophobicContact CG2-CZ2 3.53Å; C1614-W1651 HydrophobicContact CB-CD2 4.38Å; C1614-W1651 HydrophobicContact CB-CG 3.96Å; M1647-W1651 WeakPolarHBondContact O-CB 3.49Å; M1647-W1651 PolarHBondContact O-N 3.35Å; S1649-W1651 VanDerWaalsContact C-N 3.31Å; S1649-W1651 PolarHBondContact O-N 2.81Å; W1651-I1654 PolarHBondContact O-N 3.33Å; W1651-I1655 HydrophobicContact CD2-CD1 4.46Å; W1651-I1655 HydrophobicContact CZ2-CD1 3.67Å; W1651-I1655 HydrophobicContact CZ2-CG1 4.12Å; W1651-I1655 VanDerWaalsContact NE1-CD1 3.35Å; W1651-I1655 PolarHBondContact O-N 3.2Å; W1651-I1655 VanDerWaalsContact O-N 3.08Å
1652K74.8Confident67.8Low110 Ų11061.7 Ų61.748%0.47833%0.331SS..Hα-helixtrans-62.8-46.6175.3-75.7177.6175.2-170.80111.6L1648 S1649 L1650 I1654 I1655 E1656L1648-K1652 WeakPolarHBondContact O-CG 3.26Å; L1648-K1652 PolarHBondContact O-N 3.39Å; L1648-K1652 VanDerWaalsContact O-N 3.15Å; S1649-K1652 WeakPolarHBondContact O-CB 3.42Å; S1649-K1652 PolarHBondContact O-N 3.42Å; S1649-K1652 VanDerWaalsContact O-N 3.11Å; L1650-K1652 PolarHBondContact O-N 3.32Å; K1652-I1654 VanDerWaalsContact C-N 3.32Å; K1652-I1654 PolarHBondContact O-N 3.31Å; K1652-I1655 WeakPolarHBondContact O-CB 3.46Å; K1652-I1655 PolarHBondContact O-N 3.02Å; K1652-I1655 VanDerWaalsContact O-N 3.09Å; K1652-E1656 WeakPolarHBondContact O-CG 3.41Å; K1652-E1656 PolarHBondContact O-N 3.41Å
1653S65.5Low67.8Low53 Ų5362.6 Ų62.637%0.37134%0.336SS..Hα-helixtrans-63.9-35.6178.8-57.20000112.7S1649 L1650 E1656 L1657S1649-S1653 PolarHBondContact O-N 3.34Å; S1649-S1653 PolarHBondContact O-OG 3.11Å; L1650-S1653 PolarHBondContact O-N 3.12Å; S1653-E1656 PolarHBondContact O-N 3.4Å; S1653-L1657 WeakPolarHBondContact O-CB 3.3Å; S1653-L1657 WeakPolarHBondContact O-CG 3.47Å; S1653-L1657 PolarHBondContact O-N 3.08Å
1654I69.6Low67.5Low9 Ų965.4 Ų65.45%0.04635%0.352CS..Hα-helixtrans-63-43.3171.4-62.7156.6000110.9L1571 I1590 L1608 L1650 W1651 K1652 L1657 A1658L1571-I1654 HydrophobicContact CD1-CG1 4.38Å; L1571-I1654 HydrophobicContact CD2-CD1 3.65Å; L1571-I1654 HydrophobicContact CD2-CG1 3.62Å; I1590-I1654 HydrophobicContact CG2-CD1 3.62Å; L1608-I1654 HydrophobicContact CD1-CG2 3.66Å; L1608-I1654 HydrophobicContact CD2-CG2 4.07Å; L1650-I1654 WeakPolarHBondContact O-CD1 3.4Å; L1650-I1654 VanDerWaalsContact O-CG1 3.28Å; L1650-I1654 WeakPolarHBondContact O-CG1 3.46Å; L1650-I1654 PolarHBondContact O-N 2.87Å; W1651-I1654 PolarHBondContact O-N 3.33Å; K1652-I1654 VanDerWaalsContact C-N 3.32Å; K1652-I1654 PolarHBondContact O-N 3.31Å; I1654-L1657 PolarHBondContact O-N 3.4Å; I1654-A1658 VanDerWaalsContact O-CB 3.26Å; I1654-A1658 WeakPolarHBondContact O-CB 3.35Å; I1654-A1658 PolarHBondContact O-N 2.94Å
1655I72.6Confident66.9Low64 Ų6469.1 Ų69.133%0.32837%0.371SS..Hα-helixtrans-62.2-44175.1-76.5-178.5000111.2W1651 K1652 L1657 A1658 L1659W1651-I1655 HydrophobicContact CD2-CD1 4.46Å; W1651-I1655 HydrophobicContact CZ2-CD1 3.67Å; W1651-I1655 HydrophobicContact CZ2-CG1 4.12Å; W1651-I1655 VanDerWaalsContact NE1-CD1 3.35Å; W1651-I1655 PolarHBondContact O-N 3.2Å; W1651-I1655 VanDerWaalsContact O-N 3.08Å; K1652-I1655 WeakPolarHBondContact O-CB 3.46Å; K1652-I1655 PolarHBondContact O-N 3.02Å; K1652-I1655 VanDerWaalsContact O-N 3.09Å; I1655-L1657 PolarHBondContact O-N 3.2Å; I1655-A1658 PolarHBondContact O-N 2.75Å; I1655-L1659 HydrophobicContact CG2-CD1 3.68Å; I1655-L1659 HydrophobicContact CG2-CG 4.26Å; I1655-L1659 WeakPolarHBondContact O-CB 3.46Å; I1655-L1659 VanDerWaalsContact O-CG 3.27Å; I1655-L1659 WeakPolarHBondContact O-CG 3.49Å; I1655-L1659 PolarHBondContact O-N 3.19Å
1656E66.2Low66.7Low106 Ų10668.3 Ų68.350%0.49537%0.368SS..Hα-helixtrans-63.4-41.2179.4-72.4169.5164.700111.6K1652 S1653 L1659 Q1660K1652-E1656 WeakPolarHBondContact O-CG 3.41Å; K1652-E1656 PolarHBondContact O-N 3.41Å; S1653-E1656 PolarHBondContact O-N 3.4Å; E1656-L1659 PolarHBondContact O-N 2.7Å; E1656-Q1660 WeakPolarHBondContact O-CG 3.49Å; E1656-Q1660 PolarHBondContact O-N 3.19Å
1657L62.3Low66.6Low63 Ų6370.8 Ų70.833%0.3338%0.382SS..Hα-helixtrans-66.8-39.4173.2-71.8166.6000112.5N1568 S1653 I1654 I1655 L1659 Q1660 S1661N1568-L1657 WeakPolarHBondContact OD1-CD1 3.24Å; S1653-L1657 WeakPolarHBondContact O-CB 3.3Å; S1653-L1657 WeakPolarHBondContact O-CG 3.47Å; S1653-L1657 PolarHBondContact O-N 3.08Å; I1654-L1657 PolarHBondContact O-N 3.4Å; I1655-L1657 PolarHBondContact O-N 3.2Å; L1657-L1659 VanDerWaalsContact C-N 3.29Å; L1657-L1659 PolarHBondContact O-N 3.29Å; L1657-Q1660 PolarHBondContact O-N 3.27Å; L1657-S1661 WeakPolarHBondContact O-CB 3.17Å; L1657-S1661 PolarHBondContact O-N 2.91Å; L1657-S1661 PolarHBondContact O-OG 3.18Å
1658A65.4Low66Low30 Ų3075.5 Ų75.525%0.24841%0.407CS..Hα-helixtrans-66.4-30.4174.700000112.4L1608 I1654 I1655 S1661 N1662L1608-A1658 HydrophobicContact CD2-CB 4.3Å; I1654-A1658 VanDerWaalsContact O-CB 3.26Å; I1654-A1658 WeakPolarHBondContact O-CB 3.35Å; I1654-A1658 PolarHBondContact O-N 2.94Å; I1655-A1658 PolarHBondContact O-N 2.75Å; A1658-S1661 WeakPolarHBondContact CA-OG 3.46Å; A1658-S1661 PolarHBondContact O-OG 3.26Å; A1658-N1662 PolarHBondContact O-ND2 3Å
1659L65.9Low65Low127 Ų12778.9 Ų78.967%0.66543%0.425SS*.Hα-helixtrans-81.6-18.9173.8-71.2171.3000113.6I1655 E1656 L1657I1655-L1659 HydrophobicContact CG2-CD1 3.68Å; I1655-L1659 HydrophobicContact CG2-CG 4.26Å; I1655-L1659 WeakPolarHBondContact O-CB 3.46Å; I1655-L1659 VanDerWaalsContact O-CG 3.27Å; I1655-L1659 WeakPolarHBondContact O-CG 3.49Å; I1655-L1659 PolarHBondContact O-N 3.19Å; E1656-L1659 PolarHBondContact O-N 2.7Å; L1657-L1659 VanDerWaalsContact C-N 3.29Å; L1657-L1659 PolarHBondContact O-N 3.29Å
1660Q58.8Low64.6Low158 Ų15881.1 Ų81.174%0.73843%0.431SS*.Hα-helixtrans-88.5-8.7172.3-74.3177.21000113.6E1656 L1657E1656-Q1660 WeakPolarHBondContact O-CG 3.49Å; E1656-Q1660 PolarHBondContact O-N 3.19Å; L1657-Q1660 PolarHBondContact O-N 3.27Å
1661S53.2Low64.2Low91 Ų9185.5 Ų85.564%0.63646%0.455SS*.  trans-1127.9-178.148.90000114.2L1657 A1658L1657-S1661 WeakPolarHBondContact O-CB 3.17Å; L1657-S1661 PolarHBondContact O-N 2.91Å; L1657-S1661 PolarHBondContact O-OG 3.18Å; A1658-S1661 WeakPolarHBondContact CA-OG 3.46Å; A1658-S1661 PolarHBondContact O-OG 3.26Å
1662N41.1Very low63.2Low197 Ų19791.6 Ų91.6100%1.05349%0.49SS*.  trans-119.50168.5-72.6-91.7000110.2A1658A1658-N1662 PolarHBondContact O-ND2 3Å

Retrieved 1,662 of 1,662 residues in 1638.7 ms (Link to these results)

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