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CCHC-type zinc finger nucleic acid binding protein

Single-stranded DNA-binding protein that preferentially binds to the sterol regulatory element (SRE) sequence 5'-GTGCGGTG-3', and thereby mediates transcriptional repression (By similarity). Has a role as transactivator of the Myc promoter (By similarity). Binds single-stranded RNA in a sequence-specific manner1. Binds G-rich elements in target mRNA coding sequences (By similarity). Prevents G-quadruplex structure formation in vitro, suggesting a role in supporting translation by resolving stable structures on mRNAs (By similarity).

AlphaFold DB , UniProt , Accession P62634, Species RAT (Rattus norvegicus, Rat), Gene Cnbp, Length 177 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.9Very low68.4Low240 Ų240121.2 Ų121.2100%1.18264%0.636SS**  086.20-74.9-76.6163.100108.1
2S59.6Low69.1Low122 Ų122118.2 Ų118.285%0.85363%0.632SS**  trans179.580.1162.9-90.10000105.8N4S2-N4 PolarHBondContact O-N 3.22Å
3S60.6Low69.5Low90 Ų90115 Ų11563%0.62965%0.645SS**  trans-76.8118.8178.6-65.30000108.4E5S3-E5 PolarHBondContact O-N 2.73Å
4N64.9Low70.3Confident144 Ų144109.8 Ų109.877%0.7761%0.613SS**  trans-70.179.3173.4-90.8-9.3000109.7S2 S12S2-N4 PolarHBondContact O-N 3.22Å; N4-S12 WeakPolarHBondContact O-CA 3.42Å
5E73.4Confident70.9Confident107 Ų107114.1 Ų114.150%0.562%0.616SS.*BIsolated β-bridgetrans-98135.2176-67.4169.2133.400109.3S3 F7S3-E5 PolarHBondContact O-N 2.73Å; E5-F7 PolarHBondContact O-N 2.69Å; E5-F7 VanDerWaalsContact O-N 3.1Å
6C75.4Confident71.2Confident1 Ų1107.9 Ų107.91%0.00759%0.585CS.*  trans-62.5114.6177.3170.10000110.6K8 C9 G10 R11 H14C6-K8 PolarHBondContact O-N 3.14Å; C6-C9 VanDerWaalsContact CB-SG 3.59Å; C6-C9 PolarHBondContact O-N 3.27Å; C6-C9 PolarHBondContact SG-SG 2.84Å; C6-G10 WeakPolarHBondContact O-CA 3.45Å; C6-G10 PolarHBondContact O-N 2.91Å; C6-R11 VanDerWaalsContact CB-O 3.27Å; C6-R11 WeakPolarHBondContact CB-O 3.22Å; C6-R11 PolarHBondContact N-O 2.77Å; C6-H14 WeakPolarHBondContact CB-NE2 3.3Å; C6-H14 PolarHBondContact SG-NE2 3.07Å
7F75.5Confident71.3Confident194 Ų194114.5 Ų114.585%0.85160%0.599SS**THydrogen-bonded Turntrans-55.1-13.8178.5-72.4-85.1000115.6E5 A16E5-F7 PolarHBondContact O-N 2.69Å; E5-F7 VanDerWaalsContact O-N 3.1Å; F7-A16 HydrophobicContact CB-CB 4.15Å
8K73.4Confident71.2Confident157 Ų157115.9 Ų115.968%0.68360%0.602SS**THydrogen-bonded Turntrans-95.9-27.9178.4-65.9-177.7-175.8169.10114.1C6 A16C6-K8 PolarHBondContact O-N 3.14Å; K8-A16 VanDerWaalsContact CD-O 3.31Å; K8-A16 WeakPolarHBondContact CD-O 3.36Å; K8-A16 WeakPolarHBondContact CE-O 3.27Å; K8-A16 HydrophobicContact CG-CB 4.28Å; K8-A16 PolarHBondContact NZ-O 2.84Å
9C80.2Confident71.4Confident48 Ų48110.9 Ų110.932%0.32458%0.578SS.*THydrogen-bonded Turntrans-133.4-1.6-173.572.30000114.5C6 R11 H14 C19C6-C9 VanDerWaalsContact CB-SG 3.59Å; C6-C9 PolarHBondContact O-N 3.27Å; C6-C9 PolarHBondContact SG-SG 2.84Å; C9-R11 PolarHBondContact O-N 3.15Å; C9-R11 VanDerWaalsContact O-N 3.14Å; C9-H14 PolarHBondContact SG-NE2 2.88Å; C9-H14 VanDerWaalsContact SG-NE2 3.43Å; C9-C19 PolarHBondContact SG-SG 3.43Å
10G75.2Confident71.5Confident50 Ų50111 Ų11152%0.51559%0.585SS.*  trans67.76.1178.600000115C6C6-G10 WeakPolarHBondContact O-CA 3.45Å; C6-G10 PolarHBondContact O-N 2.91Å
11R74.6Confident71.3Confident180 Ų180110.4 Ų110.468%0.67959%0.587SS**  trans-95136.1178.3-71.1-176.5169.3-166.8-3.5111.1C6 C9C6-R11 VanDerWaalsContact CB-O 3.27Å; C6-R11 WeakPolarHBondContact CB-O 3.22Å; C6-R11 PolarHBondContact N-O 2.77Å; C9-R11 PolarHBondContact O-N 3.15Å; C9-R11 VanDerWaalsContact O-N 3.14Å
12S76.2Confident72Confident85 Ų85102.2 Ų102.259%0.59456%0.563SS**BIsolated β-bridgetrans-78.3155.1172.457.60000111.9N4N4-S12 WeakPolarHBondContact O-CA 3.42Å
13G74.6Confident71.3Confident77 Ų7799.8 Ų99.879%0.79456%0.558SS**SBendtrans109.12.9177.600000115.3
14H81.2Confident70.5Confident42 Ų4299.2 Ų99.219%0.19457%0.566CS.*SBendtrans-158.9152.5169.859.9-82.6000110.7C6 C9 E18 C19C6-H14 WeakPolarHBondContact CB-NE2 3.3Å; C6-H14 PolarHBondContact SG-NE2 3.07Å; C9-H14 PolarHBondContact SG-NE2 2.88Å; C9-H14 VanDerWaalsContact SG-NE2 3.43Å; H14-E18 HydrophobicContact CB-CB 4.21Å; H14-C19 WeakPolarHBondContact CD2-CA 3.38Å; H14-C19 WeakPolarHBondContact NE2-CA 3.31Å; H14-C19 WeakPolarHBondContact NE2-CB 3.17Å; H14-C19 PolarHBondContact NE2-SG 3.23Å; H14-C19 VanDerWaalsContact NE2-SG 3.44Å
15W78.2Confident69.8Low175 Ų175104.1 Ų104.166%0.66357%0.574SS**  trans-75.7153.9171.2-176-64.8000109.7R17 E18W15-R17 PolarHBondContact O-N 3.44Å; W15-E18 PolarHBondContact O-N 3.46Å
16A76.9Confident68.2Low14 Ų14102.8 Ų102.812%0.11659%0.589CS.*THydrogen-bonded Turntrans-48.8-7.1175.900000118.1F7 K8F7-A16 HydrophobicContact CB-CB 4.15Å; K8-A16 VanDerWaalsContact CD-O 3.31Å; K8-A16 WeakPolarHBondContact CD-O 3.36Å; K8-A16 WeakPolarHBondContact CE-O 3.27Å; K8-A16 HydrophobicContact CG-CB 4.28Å; K8-A16 PolarHBondContact NZ-O 2.84Å
17R72.9Confident66.8Low221 Ų221113.9 Ų113.983%0.83463%0.631SS**THydrogen-bonded Turntrans-98.1-17.1179.2-64.3177.791131.93.3111.5W15W15-R17 PolarHBondContact O-N 3.44Å
18E68.6Low65.2Low140 Ų140107.5 Ų107.565%0.65462%0.62SS**SBendtrans-116.922.5-175.2-61.4175.1103.800111.2H14 W15 P20H14-E18 HydrophobicContact CB-CB 4.21Å; W15-E18 PolarHBondContact O-N 3.46Å; E18-P20 WeakPolarHBondContact O-CD 3.46Å
19C76.2Confident63.8Low20 Ų20109 Ų10914%0.13563%0.631CS.*  trans-72.8111.7-177.8-176.60000111.9C9 H14 T21 G22C9-C19 PolarHBondContact SG-SG 3.43Å; H14-C19 WeakPolarHBondContact CD2-CA 3.38Å; H14-C19 WeakPolarHBondContact NE2-CA 3.31Å; H14-C19 WeakPolarHBondContact NE2-CB 3.17Å; H14-C19 PolarHBondContact NE2-SG 3.23Å; H14-C19 VanDerWaalsContact NE2-SG 3.44Å; C19-T21 PolarHBondContact O-N 3.46Å; C19-G22 PolarHBondContact O-N 3.39Å; C19-G22 VanDerWaalsContact O-N 3.15Å
20P73.3Confident62.3Low112 Ų112117 Ų11773%0.72765%0.654SS**THydrogen-bonded Turntrans-71.6-17.9-175.729.7-34.6000112.7E18 G22E18-P20 WeakPolarHBondContact O-CD 3.46Å; P20-G22 VanDerWaalsContact C-N 3.34Å
21T66.4Low61.1Low100 Ų100120.5 Ų120.561%0.61367%0.671SS**THydrogen-bonded Turntrans-92.78176.8-36.40000112.4C19 G23C19-T21 PolarHBondContact O-N 3.46Å; T21-G23 PolarHBondContact O-N 2.91Å
22G55.2Low59.8Low67 Ų67122.8 Ų122.869%0.69168%0.68SS**  trans-70.834.5175.400000114.8C19 P20C19-G22 PolarHBondContact O-N 3.39Å; C19-G22 VanDerWaalsContact O-N 3.15Å; P20-G22 VanDerWaalsContact C-N 3.34Å
23G44.6Very low58.3Low72 Ų72122.6 Ų122.674%0.74269%0.692SS**  trans-113.7108.4-175.400000113.2T21T21-G23 PolarHBondContact O-N 2.91Å
24G44Very low56.9Low78 Ų78130.6 Ų130.680%0.80470%0.698SS**  trans103.180141.900000118.7
25R48.8Very low55Low247 Ų247131.2 Ų131.293%0.93272%0.716SS**  trans-100.4108.2133.3-73.6-164.4-174.7-136.63.4107.9R27R25-R27 PolarHBondContact O-N 2.95Å
26G41.4Very low53.3Low79 Ų79125.8 Ų125.881%0.81471%0.714SS**  trans-51.1121170.200000110.7
27R46.2Very low51.7Low234 Ų234134.7 Ų134.788%0.88375%0.75SS**  trans-115.4108.9150.5-70.1-172.4178.5-160.7-0104.9R25R25-R27 PolarHBondContact O-N 2.95Å
28G41.6Very low50.4Low60 Ų60129.7 Ų129.762%0.61975%0.745SS**  trans-47.6150.917400000111.3R30G28-R30 PolarHBondContact O-N 3Å
29M43.2Very low49.5Very low188 Ų188129.2 Ų129.293%0.92676%0.757SS**  trans-38.892159.4-9855.6-17700109.8
30R48.1Very low48Very low215 Ų215133.6 Ų133.681%0.81178%0.779SS**  trans-98.1109.5152.2-47.3-169.1-169.3-1591102.9G28 R32G28-R30 PolarHBondContact O-N 3Å; R30-R32 PolarHBondContact O-N 3.44Å
31S51.6Low46.5Very low125 Ų125139.4 Ų139.487%0.87479%0.786SS**  trans-58.766163.3-56.10000110.3
32R47.2Very low45.5Very low227 Ų227137.8 Ų137.886%0.85779%0.789SS**  trans-93.296.1155.4-90.5-173.6178.2170.80.9105R30 R34R30-R32 PolarHBondContact O-N 3.44Å; R32-R34 PolarHBondContact O-N 3.32Å
33G44.4Very low44.7Very low82 Ų82143.9 Ų143.985%0.84580%0.797SS**  trans-46.3101.8172.900000110.1G35G33-G35 PolarHBondContact O-N 3.09Å
34R44.8Very low44.9Very low245 Ų245146.9 Ų146.993%0.92579%0.792SS**  trans-77.179.5155.6-164.2-177.4-153-115.94.2104.2R32 G36R32-R34 PolarHBondContact O-N 3.32Å; R34-G36 VanDerWaalsContact C-N 3.35Å; R34-G36 PolarHBondContact O-N 3.46Å
35G42Very low44.8Very low55 Ų55152 Ų15257%0.56779%0.792SS**  trans-52.8107.8165.400000106.7G33 F37G33-G35 PolarHBondContact O-N 3.09Å; G35-F37 PolarHBondContact O-N 3.34Å; G35-F37 VanDerWaalsContact O-N 3.12Å
36G41Very low44.5Very low60 Ų60143.5 Ų143.562%0.61977%0.768SS**  trans-56.8114.7160.300000106.1R34 T38R34-G36 VanDerWaalsContact C-N 3.35Å; R34-G36 PolarHBondContact O-N 3.46Å; G36-T38 PolarHBondContact O-N 3.27Å
37F44.6Very low45Very low202 Ų202141.8 Ų141.889%0.88674%0.743SS**  trans-70.177.8156.4-70-88.4000105.6G35 S39G35-F37 PolarHBondContact O-N 3.34Å; G35-F37 VanDerWaalsContact O-N 3.12Å; F37-S39 PolarHBondContact O-N 3.05Å
38T45.8Very low45.4Very low116 Ų116134.9 Ų134.971%0.71273%0.731SS**  trans-63.1125.9154.850.40000105.2G36 D40G36-T38 PolarHBondContact O-N 3.27Å; T38-D40 PolarHBondContact O-N 3.18Å
39S48.7Very low46.2Very low130 Ų130137.4 Ų137.491%0.90974%0.739SS**THydrogen-bonded Turntrans-65.850-175.2-56.70000113.8F37F37-S39 PolarHBondContact O-N 3.05Å
40D44.9Very low46.8Very low112 Ų112133.1 Ų133.160%0.59972%0.72SS**THydrogen-bonded Turntrans-116.3-8.1-179.2-160.3-108.8000113.3T38T38-D40 PolarHBondContact O-N 3.18Å
41R42.8Very low47.2Very low233 Ų233127 Ų12788%0.87971%0.708SS**SBendtrans-140.369.7168.3-70.6-173.7-178.2159.40.3111.3F43R41-F43 PolarHBondContact O-N 2.91Å; R41-F43 VanDerWaalsContact O-N 3.07Å
42G44.5Very low47.8Very low66 Ų66126 Ų12668%0.6869%0.692SS**  trans-68.997.8174.500000111.3Q44G42-Q44 PolarHBondContact O-N 3.1Å
43F39.1Very low48.9Very low196 Ų196118.4 Ų118.486%0.8667%0.668SS**  trans-59.9100.4165.2-140.7-93.8000108R41 F45R41-F43 PolarHBondContact O-N 2.91Å; R41-F43 VanDerWaalsContact O-N 3.07Å; F43-F45 PolarHBondContact O-N 2.81Å
44Q49.3Very low50.4Low135 Ų135114.5 Ų114.563%0.63163%0.628SS**  trans-83.7104.7177.4-66.6178.5500108.1G42 V46G42-Q44 PolarHBondContact O-N 3.1Å; Q44-V46 HydrophobicContact CB-CG1 4.42Å; Q44-V46 PolarHBondContact O-N 3.32Å
45F40.9Very low51.7Low184 Ų184108.6 Ų108.681%0.80761%0.607SS**  trans-67.682167-172.7-99.8000108.3F43 S47F43-F45 PolarHBondContact O-N 2.81Å; F45-S47 PolarHBondContact O-N 3.4Å; F45-S47 VanDerWaalsContact O-N 3.13Å
46V42.6Very low53.2Low70 Ų70108.6 Ų108.642%0.42459%0.589SS.*  trans-77.489.4170.2-77.90000108.1Q44 S48 Y138Q44-V46 HydrophobicContact CB-CG1 4.42Å; Q44-V46 PolarHBondContact O-N 3.32Å; V46-S48 PolarHBondContact O-N 3.28Å; V46-Y138 HydrophobicContact CB-CE1 4.48Å; V46-Y138 HydrophobicContact CG2-CD1 4.07Å; V46-Y138 HydrophobicContact CG2-CE1 3.65Å; V46-Y138 HydrophobicContact CG2-CE2 4.4Å
47S51.3Low54.9Low43 Ų43106.8 Ų106.830%0.30157%0.567SS.*  trans-77.970.9173.9-161.90000110F45 S49 L50F45-S47 PolarHBondContact O-N 3.4Å; F45-S47 VanDerWaalsContact O-N 3.13Å; S47-S49 PolarHBondContact O-N 3.26Å; S47-L50 PolarHBondContact O-N 3.5Å; S47-L50 VanDerWaalsContact OG-CD1 3.32Å; S47-L50 WeakPolarHBondContact OG-CD1 3.19Å
48S55.7Low56.3Low89 Ų8999.8 Ų99.862%0.62255%0.552SS**THydrogen-bonded Turntrans-71.226.2177.1-51.40000113.6V46V46-S48 PolarHBondContact O-N 3.28Å
49S58.8Low57.6Low113 Ų113100.6 Ų100.679%0.7955%0.547SS*.THydrogen-bonded Turntrans-147.34.5-179.6-52.70000113.4S47S47-S49 PolarHBondContact O-N 3.26Å
50L54.3Low59Low98 Ų9898.7 Ų98.751%0.51353%0.534SS..SBendtrans-98.7128.1160.9-91.776.8000106.7S47 D52S47-L50 PolarHBondContact O-N 3.5Å; S47-L50 VanDerWaalsContact OG-CD1 3.32Å; S47-L50 WeakPolarHBondContact OG-CD1 3.19Å; L50-D52 PolarHBondContact O-N 2.82Å
51P57.4Low60.6Low86 Ų8696.7 Ų96.756%0.55854%0.54SS*.  trans-51144173.920.6-30.9000109.2I53P51-I53 HydrophobicContact CB-CD1 4.34Å; P51-I53 HydrophobicContact CB-CG1 4.06Å; P51-I53 HydrophobicContact CG-CD1 3.62Å; P51-I53 HydrophobicContact CG-CG1 3.88Å; P51-I53 PolarHBondContact O-N 2.82Å
52D64.2Low62.6Low104 Ų10487.9 Ų87.956%0.55651%0.509SS*.  trans-63.565.3176.3-82.4-65.6000110.5L50 S60 G61L50-D52 PolarHBondContact O-N 2.82Å; D52-S60 CarbonylContact O-C 3.49Å; D52-S60 WeakPolarHBondContact O-CA 3.11Å; D52-G61 PolarHBondContact O-N 2.87Å
53I70.5Confident64.1Low68 Ų6889.5 Ų89.535%0.34950%0.501SS..BIsolated β-bridgetrans-85.1114.3172.2-59172.4000105P51 Y55 G58 E59P51-I53 HydrophobicContact CB-CD1 4.34Å; P51-I53 HydrophobicContact CB-CG1 4.06Å; P51-I53 HydrophobicContact CG-CD1 3.62Å; P51-I53 HydrophobicContact CG-CG1 3.88Å; P51-I53 PolarHBondContact O-N 2.82Å; I53-Y55 PolarHBondContact O-N 3.34Å; I53-Y55 VanDerWaalsContact O-N 3.08Å; I53-G58 WeakPolarHBondContact CG2-O 3.43Å; I53-E59 CarbonylContact C-O 3.54Å; I53-E59 WeakPolarHBondContact CA-O 3.34Å
54C76.1Confident65.8Low0 Ų081.6 Ų81.60%047%0.472CS..  trans-58.3114.4171.7141.70000108.9R56 C57 G58 E59 H62 C67C54-R56 PolarHBondContact O-N 3.29Å; C54-C57 WeakPolarHBondContact CB-SG 3.45Å; C54-C57 PolarHBondContact O-N 3.44Å; C54-C57 WeakPolarHBondContact SG-CB 3.18Å; C54-C57 PolarHBondContact SG-N 3.42Å; C54-C57 CovalentContact SG-SG 2.06Å; C54-C57 PolarHBondContact SG-SG 2.73Å; C54-G58 WeakPolarHBondContact O-CA 3.27Å; C54-G58 PolarHBondContact O-N 3.12Å; C54-E59 WeakPolarHBondContact CB-O 3.23Å; C54-E59 PolarHBondContact N-O 2.73Å; C54-H62 WeakPolarHBondContact CB-NE2 3.45Å; C54-H62 WeakPolarHBondContact CB-O 3.3Å; C54-H62 PolarHBondContact SG-NE2 2.94Å; C54-C67 PolarHBondContact SG-SG 2.83Å
55Y71.3Confident66.9Low121 Ų12182.8 Ų82.848%0.47548%0.475SS..THydrogen-bonded Turntrans-69.1-17179.9-65.7-76000113.4I53 Y75I53-Y55 PolarHBondContact O-N 3.34Å; I53-Y55 VanDerWaalsContact O-N 3.08Å; Y55-Y75 WeakPolarHBondContact O-CE1 3.45Å; Y55-Y75 PolarHBondContact O-OH 2.72Å
56R73.7Confident68.5Low55 Ų5579.3 Ų79.321%0.20847%0.465CS..THydrogen-bonded Turntrans-79.4-17173.7-80.6-175.138.3-132.7-0.8113.8C54 A64 C67 L69 D72 A73C54-R56 PolarHBondContact O-N 3.29Å; R56-A64 HydrophobicContact CB-CB 4.45Å; R56-A64 VanDerWaalsContact CD-O 3.29Å; R56-A64 WeakPolarHBondContact CD-O 3.1Å; R56-A64 HydrophobicContact CG-CB 4.17Å; R56-A64 PolarHBondContact NH1-O 3.01Å; R56-C67 HydrophobicContact CB-CB 4.3Å; R56-C67 PolarHBondContact NH1-O 3.41Å; R56-C67 PolarHBondContact NH2-O 3.34Å; R56-L69 PolarHBondContact NH2-O 3.2Å; R56-D72 WeakPolarHBondContact CD-OD1 3.46Å; R56-D72 WeakPolarHBondContact CG-OD1 3.31Å; R56-D72 IonicContact NE-OD1 2.67Å; R56-D72 PolarHBondContact NE-OD1 2.78Å; R56-A73 WeakPolarHBondContact O-CA 3.42Å; R56-A73 WeakPolarHBondContact O-CB 3.4Å; R56-A73 PolarHBondContact O-N 2.79Å
57C76.6Confident70.1Confident21 Ų2176.4 Ų76.414%0.14245%0.447CS..THydrogen-bonded Turntrans-140.5-19.1-169.862.30000114.6C54 E59 H62 L69C54-C57 WeakPolarHBondContact CB-SG 3.45Å; C54-C57 PolarHBondContact O-N 3.44Å; C54-C57 WeakPolarHBondContact SG-CB 3.18Å; C54-C57 PolarHBondContact SG-N 3.42Å; C54-C57 CovalentContact SG-SG 2.06Å; C54-C57 PolarHBondContact SG-SG 2.73Å; C57-E59 VanDerWaalsContact C-N 3.29Å; C57-E59 PolarHBondContact O-N 2.84Å; C57-H62 PolarHBondContact SG-CE1 3.31Å; C57-H62 PolarHBondContact SG-NE2 3.16Å; C57-L69 HydrophobicContact CB-CD1 3.19Å; C57-L69 HydrophobicContact CB-CG 4.49Å
58G73.1Confident71.4Confident55 Ų5581.9 Ų81.957%0.56747%0.474SS*.SBendtrans80.2-1.1-177.500000115.1I53 C54I53-G58 WeakPolarHBondContact CG2-O 3.43Å; C54-G58 WeakPolarHBondContact O-CA 3.27Å; C54-G58 PolarHBondContact O-N 3.12Å
59E74Confident72.1Confident134 Ų13482 Ų8263%0.62647%0.467SS*.  trans-89.3146.5176.4-77.8-152.6109.100112.8I53 C54 C57I53-E59 CarbonylContact C-O 3.54Å; I53-E59 WeakPolarHBondContact CA-O 3.34Å; C54-E59 WeakPolarHBondContact CB-O 3.23Å; C54-E59 PolarHBondContact N-O 2.73Å; C57-E59 VanDerWaalsContact C-N 3.29Å; C57-E59 PolarHBondContact O-N 2.84Å
60S77.9Confident72.5Confident89 Ų8985.9 Ų85.962%0.62247%0.472SS*.BIsolated β-bridgetrans-90.4142175.260.40000112.3D52D52-S60 CarbonylContact O-C 3.49Å; D52-S60 WeakPolarHBondContact O-CA 3.11Å
61G79.2Confident73.1Confident71 Ų7186.9 Ų86.973%0.73247%0.474SS*.SBendtrans124.4-2.7173.500000114.8D52D52-G61 PolarHBondContact O-N 2.87Å
62H84.6Confident73.7Confident48 Ų4886.7 Ų86.722%0.22247%0.469CS..SBendtrans-149.3156.6172.962.4-82.1000110.5C54 C57 C67C54-H62 WeakPolarHBondContact CB-NE2 3.45Å; C54-H62 WeakPolarHBondContact CB-O 3.3Å; C54-H62 PolarHBondContact SG-NE2 2.94Å; C57-H62 PolarHBondContact SG-CE1 3.31Å; C57-H62 PolarHBondContact SG-NE2 3.16Å; H62-C67 VanDerWaalsContact CD2-CA 3.43Å; H62-C67 WeakPolarHBondContact CD2-CA 3.5Å; H62-C67 WeakPolarHBondContact NE2-CB 3.24Å; H62-C67 PolarHBondContact NE2-SG 3.24Å
63L74.9Confident74.4Confident100 Ų10082.2 Ų82.252%0.52445%0.446SS..  trans-77.9154.6172.6-78.397.1000110.2K65 D66 C67L63-K65 PolarHBondContact O-N 3.22Å; L63-D66 CarbonylContact O-C 3.56Å; L63-D66 PolarHBondContact O-N 3.22Å; L63-C67 PolarHBondContact O-N 3.46Å
64A75.2Confident74.9Confident29 Ų2979.1 Ų79.124%0.2443%0.43CS..SBendtrans-55.2-20176.700000113.7R56R56-A64 HydrophobicContact CB-CB 4.45Å; R56-A64 VanDerWaalsContact CD-O 3.29Å; R56-A64 WeakPolarHBondContact CD-O 3.1Å; R56-A64 HydrophobicContact CG-CB 4.17Å; R56-A64 PolarHBondContact NH1-O 3.01Å
65K72.2Confident75Confident161 Ų16186.2 Ų86.270%0.746%0.458SS*.THydrogen-bonded Turntrans-73.6-46.2174.5-67.1-175.1173.8-167.40112L63 C67L63-K65 PolarHBondContact O-N 3.22Å; K65-C67 PolarHBondContact O-N 2.94Å; K65-C67 VanDerWaalsContact O-N 3.15Å
66D75.1Confident75.5Confident110 Ų11081.2 Ų81.259%0.58844%0.44SS*.THydrogen-bonded Turntrans-84.424.3179.7-48.9-71.9000112.5L63L63-D66 CarbonylContact O-C 3.56Å; L63-D66 PolarHBondContact O-N 3.22Å
67C76.6Confident75.9Confident9 Ų979 Ų796%0.06143%0.432CS..  trans-87.7116.1179.8-177.30000110.5C54 R56 H62 L63 K65 L69C54-C67 PolarHBondContact SG-SG 2.83Å; R56-C67 HydrophobicContact CB-CB 4.3Å; R56-C67 PolarHBondContact NH1-O 3.41Å; R56-C67 PolarHBondContact NH2-O 3.34Å; H62-C67 VanDerWaalsContact CD2-CA 3.43Å; H62-C67 WeakPolarHBondContact CD2-CA 3.5Å; H62-C67 WeakPolarHBondContact NE2-CB 3.24Å; H62-C67 PolarHBondContact NE2-SG 3.24Å; L63-C67 PolarHBondContact O-N 3.46Å; K65-C67 PolarHBondContact O-N 2.94Å; K65-C67 VanDerWaalsContact O-N 3.15Å; C67-L69 PolarHBondContact O-N 3.41Å
68D77.4Confident75.9Confident159 Ų15980 Ų8085%0.8545%0.447SS*.  trans-67.6-15.6-179.3-63.8-51.1000114Q70D68-Q70 PolarHBondContact O-N 3.48Å
69L70.7Confident76.1Confident92 Ų9285.1 Ų85.148%0.48245%0.449SS..  trans-69.4105.8178-81.8156.7000110.2R56 C57 C67 E71R56-L69 PolarHBondContact NH2-O 3.2Å; C57-L69 HydrophobicContact CB-CD1 3.19Å; C57-L69 HydrophobicContact CB-CG 4.49Å; C67-L69 PolarHBondContact O-N 3.41Å; L69-E71 PolarHBondContact O-N 3.49Å
70Q66.9Low76.2Confident194 Ų19480.5 Ų80.591%0.90744%0.437SS*.SBendtrans-57.1-14.5-179.4-66-178900114.5D68D68-Q70 PolarHBondContact O-N 3.48Å
71E66.8Low76.3Confident119 Ų11978.9 Ų78.956%0.55644%0.435SS*.SBendtrans-123.8134.1178.2-59.4-166.5152.800111.7L69 A73 G81L69-E71 PolarHBondContact O-N 3.49Å; E71-A73 PolarHBondContact O-N 3.37Å; E71-G81 WeakPolarHBondContact OE2-CA 3.34Å; E71-G81 PolarHBondContact OE2-N 3.26Å
72D71.9Confident76.7Confident81 Ų8178 Ų7843%0.43341%0.412SS..PPolyproline II helixtrans-63.2122.4174.7-62.6-30.5000110.1R56 C74R56-D72 WeakPolarHBondContact CD-OD1 3.46Å; R56-D72 WeakPolarHBondContact CG-OD1 3.31Å; R56-D72 IonicContact NE-OD1 2.67Å; R56-D72 PolarHBondContact NE-OD1 2.78Å; D72-C74 PolarHBondContact O-N 3.5Å
73A77.5Confident76.6Confident11 Ų1180 Ų809%0.09142%0.423CS..PPolyproline II helixtrans-65.9130169.800000109.8R56 E71 Y75R56-A73 WeakPolarHBondContact O-CA 3.42Å; R56-A73 WeakPolarHBondContact O-CB 3.4Å; R56-A73 PolarHBondContact O-N 2.79Å; E71-A73 PolarHBondContact O-N 3.37Å; A73-Y75 PolarHBondContact O-N 3.46Å; A73-Y75 VanDerWaalsContact O-N 3.17Å
74C82Confident76.9Confident2 Ų277.2 Ų77.21%0.01442%0.415CS..PPolyproline II helixtrans-56.8119.7174.81710000110.9D72 N76 C77 G78 R79 H82 A84 C87D72-C74 PolarHBondContact O-N 3.5Å; C74-N76 PolarHBondContact O-N 3.07Å; C74-N76 PolarHBondContact SG-N 3.47Å; C74-N76 VanDerWaalsContact SG-N 3.4Å; C74-C77 WeakPolarHBondContact CB-SG 3.46Å; C74-C77 PolarHBondContact O-N 3.47Å; C74-C77 PolarHBondContact SG-N 3.25Å; C74-C77 VanDerWaalsContact SG-N 3.41Å; C74-G78 VanDerWaalsContact O-CA 3.27Å; C74-G78 WeakPolarHBondContact O-CA 3.36Å; C74-G78 PolarHBondContact O-N 3.29Å; C74-R79 WeakPolarHBondContact CB-O 3.37Å; C74-R79 PolarHBondContact N-O 3.42Å; C74-H82 WeakPolarHBondContact CB-NE2 3.28Å; C74-H82 WeakPolarHBondContact CB-O 3.27Å; C74-H82 PolarHBondContact SG-NE2 2.9Å; C74-A84 VanDerWaalsContact SG-CA 3.55Å; C74-C87 WeakPolarHBondContact SG-CB 3.35Å
75Y77.2Confident77.2Confident149 Ų14985 Ų8558%0.58444%0.443SS*.THydrogen-bonded Turntrans-58.3-16.1176.9-65.6-91.1000114.9Y55 A73Y55-Y75 WeakPolarHBondContact O-CE1 3.45Å; Y55-Y75 PolarHBondContact O-OH 2.72Å; A73-Y75 PolarHBondContact O-N 3.46Å; A73-Y75 VanDerWaalsContact O-N 3.17Å
76N81.8Confident77.7Confident16 Ų1682.5 Ų82.59%0.08644%0.438CS..THydrogen-bonded Turntrans-86.9-59.4173.6-172.119000111.5C74 A84 C87 E89 P90 K91 R92C74-N76 PolarHBondContact O-N 3.07Å; C74-N76 PolarHBondContact SG-N 3.47Å; C74-N76 VanDerWaalsContact SG-N 3.4Å; N76-A84 HydrophobicContact CB-CB 4.28Å; N76-C87 HydrophobicContact CB-CB 4.12Å; N76-E89 PolarHBondContact ND2-O 3.37Å; N76-P90 PolarHBondContact ND2-O 3.21Å; N76-P90 VanDerWaalsContact ND2-O 3.09Å; N76-P90 PolarHBondContact OD1-O 3.45Å; N76-K91 WeakPolarHBondContact ND2-CA 3.11Å; N76-K91 WeakPolarHBondContact OD1-CA 3.26Å; N76-R92 WeakPolarHBondContact O-CD 3.2Å; N76-R92 VanDerWaalsContact O-CG 3.26Å; N76-R92 WeakPolarHBondContact O-CG 3.39Å; N76-R92 PolarHBondContact O-NE 3.32Å; N76-R92 PolarHBondContact O-NH1 2.86Å; N76-R92 PolarHBondContact OD1-N 2.95Å
77C82.6Confident78.1Confident8 Ų878.3 Ų78.35%0.05442%0.416CS..THydrogen-bonded Turntrans-100.9-6.2-172.169.50000115.3C74 R79 H82 E89 R92C74-C77 WeakPolarHBondContact CB-SG 3.46Å; C74-C77 PolarHBondContact O-N 3.47Å; C74-C77 PolarHBondContact SG-N 3.25Å; C74-C77 VanDerWaalsContact SG-N 3.41Å; C77-R79 PolarHBondContact O-N 3.32Å; C77-H82 PolarHBondContact SG-CE1 3.09Å; C77-H82 PolarHBondContact SG-NE2 2.74Å; C77-E89 HydrophobicContact CB-CB 4.28Å; C77-E89 HydrophobicContact CB-CG 4.23Å; C77-E89 WeakPolarHBondContact CB-OE2 2.94Å; C77-R92 PolarHBondContact O-NH2 3.48Å
78G77.2Confident78.5Confident43 Ų4388 Ų8844%0.44346%0.457SS..  trans70.94.3-177.600000115.1C74C74-G78 VanDerWaalsContact O-CA 3.27Å; C74-G78 WeakPolarHBondContact O-CA 3.36Å; C74-G78 PolarHBondContact O-N 3.29Å
79R75.9Confident78.6Confident162 Ų16284.4 Ų84.461%0.61144%0.436SS*.  trans-96.5142.5177.6-55.2-173-147.7-148.39.2111C74 C77 E89C74-R79 WeakPolarHBondContact CB-O 3.37Å; C74-R79 PolarHBondContact N-O 3.42Å; C77-R79 PolarHBondContact O-N 3.32Å; R79-E89 IonicContact NH2-OE1 2.83Å; R79-E89 PolarHBondContact NH2-OE1 3.01Å
80G76.5Confident78.9Confident37 Ų3785.5 Ų85.538%0.38145%0.448SS..SBendtrans-66.7179.117200000113.7H82G80-H82 VanDerWaalsContact C-N 3.34Å; G80-H82 PolarHBondContact O-N 3.01Å; G80-H82 PolarHBondContact O-ND1 3.13Å
81G80.5Confident79.3Confident56 Ų5685 Ų8558%0.57744%0.443SS*.SBendtrans83.5-2.6176.700000115.9E71E71-G81 WeakPolarHBondContact OE2-CA 3.34Å; E71-G81 PolarHBondContact OE2-N 3.26Å
82H86.7Confident79.4Confident53 Ų5386.8 Ų86.825%0.24545%0.445CS..SBendtrans-161.7157.917564.9-70.7000112.6C74 C77 G80 D86 C87C74-H82 WeakPolarHBondContact CB-NE2 3.28Å; C74-H82 WeakPolarHBondContact CB-O 3.27Å; C74-H82 PolarHBondContact SG-NE2 2.9Å; C77-H82 PolarHBondContact SG-CE1 3.09Å; C77-H82 PolarHBondContact SG-NE2 2.74Å; G80-H82 VanDerWaalsContact C-N 3.34Å; G80-H82 PolarHBondContact O-N 3.01Å; G80-H82 PolarHBondContact O-ND1 3.13Å; H82-D86 HydrophobicContact CB-CB 4.34Å; H82-C87 VanDerWaalsContact CD2-CA 3.42Å; H82-C87 WeakPolarHBondContact CD2-CA 3.42Å; H82-C87 PolarHBondContact NE2-SG 2.82Å
83I83.5Confident79Confident88 Ų8892.3 Ų92.345%0.45147%0.468SS..  trans-87.5161.1171.856.9169.7000111.3K85 D86 C87I83-K85 HydrophobicContact CD1-CB 3.85Å; I83-K85 HydrophobicContact CG1-CB 4.07Å; I83-K85 PolarHBondContact O-N 3.23Å; I83-D86 HydrophobicContact CG1-CB 4.48Å; I83-D86 WeakPolarHBondContact CG1-OD2 3.5Å; I83-D86 PolarHBondContact O-N 2.9Å; I83-C87 PolarHBondContact O-N 2.99Å
84A81.1Confident78.3Confident43 Ų43101.9 Ų101.936%0.35550%0.502SS..THydrogen-bonded Turntrans-54.9-19.5178.800000115C74 N76C74-A84 VanDerWaalsContact SG-CA 3.55Å; N76-A84 HydrophobicContact CB-CB 4.28Å
85K80.6Confident77.6Confident192 Ų192108.7 Ų108.784%0.83553%0.533SS*.THydrogen-bonded Turntrans-75.8-31.8176.5-138.5-177-175.8-171.80113.3I83I83-K85 HydrophobicContact CD1-CB 3.85Å; I83-K85 HydrophobicContact CG1-CB 4.07Å; I83-K85 PolarHBondContact O-N 3.23Å
86D82.7Confident77.2Confident109 Ų109108.2 Ų108.258%0.58354%0.536SS*.SBendtrans-100.48.5-179.8-58.4-58.9000111.7H82 I83 K88H82-D86 HydrophobicContact CB-CB 4.34Å; I83-D86 HydrophobicContact CG1-CB 4.48Å; I83-D86 WeakPolarHBondContact CG1-OD2 3.5Å; I83-D86 PolarHBondContact O-N 2.9Å; D86-K88 PolarHBondContact O-N 3.46Å
87C84.4Confident77Confident21 Ų21110.4 Ų110.414%0.14255%0.552CS.*  trans-71121.4178.7-1700000110.8C74 N76 H82 I83 E89C74-C87 WeakPolarHBondContact SG-CB 3.35Å; N76-C87 HydrophobicContact CB-CB 4.12Å; H82-C87 VanDerWaalsContact CD2-CA 3.42Å; H82-C87 WeakPolarHBondContact CD2-CA 3.42Å; H82-C87 PolarHBondContact NE2-SG 2.82Å; I83-C87 PolarHBondContact O-N 2.99Å; C87-E89 VanDerWaalsContact C-N 3.32Å
88K83.9Confident77Confident213 Ų213110.1 Ų110.193%0.92655%0.55SS**  trans-80.2-12.8176.3-63.8-178.3-178.6178.40113.3D86D86-K88 PolarHBondContact O-N 3.46Å
89E80.4Confident77Confident84 Ų84116 Ų11639%0.39356%0.56SS.*SBendtrans-77147.7174.9-66.6-159.6154.200110.9N76 C77 R79 C87N76-E89 PolarHBondContact ND2-O 3.37Å; C77-E89 HydrophobicContact CB-CB 4.28Å; C77-E89 HydrophobicContact CB-CG 4.23Å; C77-E89 WeakPolarHBondContact CB-OE2 2.94Å; R79-E89 IonicContact NH2-OE1 2.83Å; R79-E89 PolarHBondContact NH2-OE1 3.01Å; C87-E89 VanDerWaalsContact C-N 3.32Å
90P77.6Confident77.3Confident114 Ų114109.3 Ų109.374%0.7454%0.537SS*.PPolyproline II helixtrans-55.1147.9173.724.3-33.7000110.1N76 R92N76-P90 PolarHBondContact ND2-O 3.21Å; N76-P90 VanDerWaalsContact ND2-O 3.09Å; N76-P90 PolarHBondContact OD1-O 3.45Å; P90-R92 PolarHBondContact O-N 2.94Å; P90-R92 VanDerWaalsContact O-N 3.13Å
91K74.8Confident77.5Confident185 Ų185108 Ų10880%0.80452%0.522SS*.PPolyproline II helixtrans-58.2121.7175.2-76.9-178.3176.5179.10108.6N76 E93N76-K91 WeakPolarHBondContact ND2-CA 3.11Å; N76-K91 WeakPolarHBondContact OD1-CA 3.26Å; K91-E93 PolarHBondContact O-N 2.84Å
92R69Low77.3Confident155 Ų155106.8 Ų106.859%0.58551%0.508SS*.PPolyproline II helixtrans-52.5128.4167.9-69.8-172-179.71613.1107.5N76 C77 P90 R94N76-R92 WeakPolarHBondContact O-CD 3.2Å; N76-R92 VanDerWaalsContact O-CG 3.26Å; N76-R92 WeakPolarHBondContact O-CG 3.39Å; N76-R92 PolarHBondContact O-NE 3.32Å; N76-R92 PolarHBondContact O-NH1 2.86Å; N76-R92 PolarHBondContact OD1-N 2.95Å; C77-R92 PolarHBondContact O-NH2 3.48Å; P90-R92 PolarHBondContact O-N 2.94Å; P90-R92 VanDerWaalsContact O-N 3.13Å; R92-R94 PolarHBondContact O-N 3.44Å
93E62.8Low77Confident198 Ų198109.1 Ų109.193%0.92552%0.518SS*.  trans-67.878.6173.9-64.8-170.8120.500108.6K91K91-E93 PolarHBondContact O-N 2.84Å
94R63.4Low76.8Confident211 Ų211108.2 Ų108.280%0.79652%0.518SS*.  trans-86.3109.6163.8-168.4-176.7-71.6-109.85.5105R92 Q96R92-R94 PolarHBondContact O-N 3.44Å; R94-Q96 PolarHBondContact O-N 3.25Å
95E66.1Low77Confident145 Ų145109.9 Ų109.968%0.67854%0.539SS*.  trans-50.1111.3175.9-71.1176.1109.500108.8C97 P104E95-C97 PolarHBondContact O-N 3.37Å; E95-C97 PolarHBondContact O-SG 3.29Å; E95-P104 HydrophobicContact CB-CB 4.14Å
96Q70.8Confident77.3Confident140 Ų140103.1 Ų103.165%0.65451%0.51SS*.  trans-73.897174.7-77.7-167.6-35.300107.6R94 P104 G105R94-Q96 PolarHBondContact O-N 3.25Å; Q96-P104 WeakPolarHBondContact O-CA 3.32Å; Q96-G105 PolarHBondContact O-N 2.96Å
97C76.7Confident77.3Confident61 Ų61101.8 Ų101.841%0.41250%0.503SS..BIsolated β-bridgetrans-79.7136.7174.8-53.90000110.5E95 Y99E95-C97 PolarHBondContact O-N 3.37Å; E95-C97 PolarHBondContact O-SG 3.29Å; C97-Y99 PolarHBondContact O-N 3.49Å
98C81.8Confident77.1Confident2 Ų2102 Ų1021%0.01451%0.506CS..  trans-60.2129.8174.2172.10000111.1N100 G102 K103 H106 C111C98-N100 PolarHBondContact O-N 3.3Å; C98-N100 PolarHBondContact SG-N 3.41Å; C98-G102 WeakPolarHBondContact O-CA 3.27Å; C98-G102 PolarHBondContact O-N 3.4Å; C98-K103 VanDerWaalsContact CB-O 3.3Å; C98-K103 WeakPolarHBondContact CB-O 3.16Å; C98-K103 PolarHBondContact N-O 3.48Å; C98-H106 WeakPolarHBondContact CB-NE2 3.22Å; C98-H106 PolarHBondContact SG-NE2 2.72Å; C98-C111 VanDerWaalsContact SG-CB 3.57Å; C98-C111 PolarHBondContact SG-SG 3.35Å
99Y78.4Confident77Confident168 Ų168103.1 Ų103.166%0.65951%0.505SS*.THydrogen-bonded Turntrans-71.3-12.8178.7-64.6-87.3000114.5C97 A108 Y120C97-Y99 PolarHBondContact O-N 3.49Å; Y99-A108 HydrophobicContact CD2-CB 4.34Å; Y99-Y120 WeakPolarHBondContact O-CE1 3.5Å; Y99-Y120 PolarHBondContact O-OH 3.43Å
100N81.4Confident77.2Confident21 Ų21104.1 Ų104.111%0.11251%0.513CS..THydrogen-bonded Turntrans-89.5-60.8176.4-73.61.7000111C98 A108 C111 Q117 K118 Y120C98-N100 PolarHBondContact O-N 3.3Å; C98-N100 PolarHBondContact SG-N 3.41Å; N100-A108 PolarHBondContact ND2-O 3.13Å; N100-C111 HydrophobicContact CB-CB 4.43Å; N100-Q117 HydrophobicContact CB-CG 3.65Å; N100-Q117 PolarHBondContact OD1-NE2 2.83Å; N100-K118 PolarHBondContact O-N 3.29Å; N100-Y120 PolarHBondContact OD1-OH 3.42Å
101C80.6Confident77.5Confident10 Ų1099.4 Ų99.47%0.06848%0.482CS..THydrogen-bonded Turntrans-98.9-10.9-173.471.30000114.2K103 H106 H113C101-K103 VanDerWaalsContact C-N 3.28Å; C101-K103 PolarHBondContact O-N 2.86Å; C101-H106 PolarHBondContact SG-CE1 3.17Å; C101-H106 PolarHBondContact SG-NE2 3.2Å; C101-H106 VanDerWaalsContact SG-NE2 3.4Å; C101-H113 HydrophobicContact CB-CB 4.35Å
102G77.7Confident77.9Confident29 Ų2997.7 Ų97.730%0.29948%0.482SS..  trans79-3.8-179.500000115.9C98C98-G102 WeakPolarHBondContact O-CA 3.27Å; C98-G102 PolarHBondContact O-N 3.4Å
103K78.7Confident78.2Confident103 Ų10394 Ų9445%0.44847%0.471SS..  trans-81.1140.1-178.9-62.8174.8-176.3163.20111.7C98 C101C98-K103 VanDerWaalsContact CB-O 3.3Å; C98-K103 WeakPolarHBondContact CB-O 3.16Å; C98-K103 PolarHBondContact N-O 3.48Å; C101-K103 VanDerWaalsContact C-N 3.28Å; C101-K103 PolarHBondContact O-N 2.86Å
104P80.7Confident78.5Confident68 Ų6886.8 Ų86.844%0.44245%0.446SS..BIsolated β-bridgetrans-71.2163.217530.9-34.8000112.5E95 Q96E95-P104 HydrophobicContact CB-CB 4.14Å; Q96-P104 WeakPolarHBondContact O-CA 3.32Å
105G84.3Confident78.9Confident79 Ų7983.1 Ų83.181%0.81444%0.442SS*.THydrogen-bonded Turntrans98.3-4.5171.200000115.8Q96Q96-G105 PolarHBondContact O-N 2.96Å
106H87Confident79.2Confident49 Ų4980.1 Ų80.123%0.22743%0.428CS..SBendtrans-149.9158.9173.365.2-76.8000111.8C98 C101 C111C98-H106 WeakPolarHBondContact CB-NE2 3.22Å; C98-H106 PolarHBondContact SG-NE2 2.72Å; C101-H106 PolarHBondContact SG-CE1 3.17Å; C101-H106 PolarHBondContact SG-NE2 3.2Å; C101-H106 VanDerWaalsContact SG-NE2 3.4Å; H106-C111 VanDerWaalsContact CD2-CA 3.46Å; H106-C111 WeakPolarHBondContact CD2-CA 3.41Å; H106-C111 PolarHBondContact NE2-SG 3.39Å
107L82.6Confident79.6Confident82 Ų8276 Ų7643%0.42941%0.409SS..  trans-85.5156.8173.3-68.9165.5000109.9R109 D110 C111L107-R109 PolarHBondContact O-N 2.87Å; L107-D110 CarbonylContact O-C 3.54Å; L107-D110 PolarHBondContact O-N 2.83Å; L107-C111 PolarHBondContact O-N 2.98Å
108A81.4Confident79.7Confident25 Ų2576.9 Ų76.921%0.20741%0.406CS..G310 helixtrans-57.6-19.1178.100000114.7Y99 N100Y99-A108 HydrophobicContact CD2-CB 4.34Å; N100-A108 PolarHBondContact ND2-O 3.13Å
109R81.4Confident79.9Confident236 Ų23676.9 Ų76.989%0.89141%0.406SS*.G310 helixtrans-78.3-26.2177-57.3-174.371.4176.60.7113L107L107-R109 PolarHBondContact O-N 2.87Å
110D84.1Confident80Confident106 Ų10674.6 Ų74.657%0.56740%0.397SS*.G310 helixtrans-109.326.3-178.4-51.1-64000109.7L107L107-D110 CarbonylContact O-C 3.54Å; L107-D110 PolarHBondContact O-N 2.83Å
111C83.8Confident80Confident15 Ų1575 Ų7510%0.10140%0.401CS..  trans-89.5114.4-178.8-1720000110.2C98 N100 H106 L107 H113C98-C111 VanDerWaalsContact SG-CB 3.57Å; C98-C111 PolarHBondContact SG-SG 3.35Å; N100-C111 HydrophobicContact CB-CB 4.43Å; H106-C111 VanDerWaalsContact CD2-CA 3.46Å; H106-C111 WeakPolarHBondContact CD2-CA 3.41Å; H106-C111 PolarHBondContact NE2-SG 3.39Å; L107-C111 PolarHBondContact O-N 2.98Å; C111-H113 PolarHBondContact O-N 3.24Å
112D82.8Confident80Confident148 Ų14876.2 Ų76.279%0.79141%0.409SS*.THydrogen-bonded Turntrans-71-13.3175.8-60.2-48.9000113.3
113H75.4Confident80.1Confident77 Ų7776.8 Ų76.836%0.35642%0.415SS..THydrogen-bonded Turntrans-112.846.1-179.9-58.4-69000111.6C101 C111 D115 E116C101-H113 HydrophobicContact CB-CB 4.35Å; C111-H113 PolarHBondContact O-N 3.24Å; H113-D115 PolarHBondContact O-N 3.35Å; H113-E116 HydrophobicContact CB-CB 4.21Å; H113-E116 HydrophobicContact CB-CG 4.25Å; H113-E116 IonicContact CG-OE2 3.85Å; H113-E116 PolarHBondContact O-N 2.76Å; H113-E116 VanDerWaalsContact O-N 3.09Å
114A69.3Low80.2Confident48 Ų4877 Ų7740%0.39742%0.418SS..G310 helixtrans-63-25.7179.500000112.6E116 Q117A114-E116 VanDerWaalsContact C-N 3.35Å; A114-Q117 WeakPolarHBondContact O-CB 3.18Å; A114-Q117 WeakPolarHBondContact O-CG 3.31Å; A114-Q117 PolarHBondContact O-N 2.8Å
115D71.4Confident80.2Confident134 Ų13479.3 Ų79.372%0.71742%0.421SS*.G310 helixtrans-68-27.1172.946.3-63.3000113.5H113 Q117H113-D115 PolarHBondContact O-N 3.35Å; D115-Q117 PolarHBondContact O-N 2.84Å
116E73.2Confident80.1Confident82 Ų8279.3 Ų79.338%0.38342%0.421SS..G310 helixtrans-8529.7171-61.6-178.3163.500111.8H113 A114 K118 F125H113-E116 HydrophobicContact CB-CB 4.21Å; H113-E116 HydrophobicContact CB-CG 4.25Å; H113-E116 IonicContact CG-OE2 3.85Å; H113-E116 PolarHBondContact O-N 2.76Å; H113-E116 VanDerWaalsContact O-N 3.09Å; A114-E116 VanDerWaalsContact C-N 3.35Å; E116-K118 PolarHBondContact O-N 3.09Å; E116-K118 VanDerWaalsContact O-N 3.16Å; E116-F125 WeakPolarHBondContact O-CD1 3.19Å; E116-F125 VanDerWaalsContact O-CE1 3.27Å; E116-F125 WeakPolarHBondContact O-CE1 3.48Å
117Q78.6Confident80.2Confident54 Ų5479.3 Ų79.325%0.25242%0.421SS..PPolyproline II helixtrans-59.8121.8174.4-103.4-165.3-9.800110.4N100 A114 D115 Y120N100-Q117 HydrophobicContact CB-CG 3.65Å; N100-Q117 PolarHBondContact OD1-NE2 2.83Å; A114-Q117 WeakPolarHBondContact O-CB 3.18Å; A114-Q117 WeakPolarHBondContact O-CG 3.31Å; A114-Q117 PolarHBondContact O-N 2.8Å; D115-Q117 PolarHBondContact O-N 2.84Å; Q117-Y120 PolarHBondContact NE2-OH 3.27Å
118K80.1Confident80.2Confident79 Ų7978.8 Ų78.834%0.34342%0.418SS..PPolyproline II helixtrans-71.8142.9169.265.1-176-179.2-179.40110.8N100 E116 Y120 F125N100-K118 PolarHBondContact O-N 3.29Å; E116-K118 PolarHBondContact O-N 3.09Å; E116-K118 VanDerWaalsContact O-N 3.16Å; K118-Y120 PolarHBondContact O-N 3.32Å; K118-F125 HydrophobicContact CB-CD1 3.9Å; K118-F125 HydrophobicContact CB-CE1 3.7Å; K118-F125 HydrophobicContact CB-CE2 4.43Å; K118-F125 HydrophobicContact CB-CG 4.37Å; K118-F125 HydrophobicContact CB-CZ 3.98Å; K118-F125 HydrophobicContact CD-CZ 4.45Å
119C84.3Confident80.2Confident2 Ų281.7 Ų81.71%0.01443%0.427CS..PPolyproline II helixtrans-63121175.8176.70000110.7S121 C122 G123 E124 H127 C132C119-S121 PolarHBondContact O-N 3.3Å; C119-S121 PolarHBondContact SG-N 3.35Å; C119-S121 VanDerWaalsContact SG-N 3.41Å; C119-C122 WeakPolarHBondContact CB-SG 3.42Å; C119-C122 PolarHBondContact O-N 3.46Å; C119-C122 PolarHBondContact SG-SG 3.47Å; C119-G123 VanDerWaalsContact O-CA 3.24Å; C119-G123 WeakPolarHBondContact O-CA 3.41Å; C119-G123 PolarHBondContact O-N 3.35Å; C119-E124 VanDerWaalsContact CB-O 3.31Å; C119-E124 WeakPolarHBondContact CB-O 3.04Å; C119-E124 PolarHBondContact N-O 2.83Å; C119-H127 WeakPolarHBondContact CB-O 3.44Å; C119-C132 VanDerWaalsContact SG-CB 3.56Å
120Y81.7Confident80.1Confident120 Ų12079.4 Ų79.447%0.47142%0.424SS..THydrogen-bonded Turntrans-67.3-15.7178.2-63.2-70000114.3Y99 N100 Q117 K118Y99-Y120 WeakPolarHBondContact O-CE1 3.5Å; Y99-Y120 PolarHBondContact O-OH 3.43Å; N100-Y120 PolarHBondContact OD1-OH 3.42Å; Q117-Y120 PolarHBondContact NE2-OH 3.27Å; K118-Y120 PolarHBondContact O-N 3.32Å
121S80.2Confident80.1Confident29 Ų2979.7 Ų79.720%0.20343%0.425CS..THydrogen-bonded Turntrans-92-34.1177.8-900000114.4C119 Q129C119-S121 PolarHBondContact O-N 3.3Å; C119-S121 PolarHBondContact SG-N 3.35Å; C119-S121 VanDerWaalsContact SG-N 3.41Å; S121-Q129 WeakPolarHBondContact OG-CG 3.1Å; S121-Q129 PolarHBondContact OG-NE2 3.27Å
122C82.2Confident80.2Confident36 Ų3679.4 Ų79.424%0.24342%0.423CS..THydrogen-bonded Turntrans-121.6-9.8-176.771.40000114.5C119 E124 H127 C132 K134C119-C122 WeakPolarHBondContact CB-SG 3.42Å; C119-C122 PolarHBondContact O-N 3.46Å; C119-C122 PolarHBondContact SG-SG 3.47Å; C122-E124 VanDerWaalsContact C-N 3.25Å; C122-E124 PolarHBondContact O-N 2.96Å; C122-H127 PolarHBondContact SG-CE1 3.46Å; C122-H127 PolarHBondContact SG-NE2 3.27Å; C122-C132 PolarHBondContact SG-SG 2.77Å; C122-K134 HydrophobicContact CB-CB 4.01Å
123G79.9Confident80.1Confident41 Ų4177.8 Ų77.842%0.42342%0.419SS..  trans81.4-8.7-179.800000115.5C119C119-G123 VanDerWaalsContact O-CA 3.24Å; C119-G123 WeakPolarHBondContact O-CA 3.41Å; C119-G123 PolarHBondContact O-N 3.35Å
124E80.3Confident80.5Confident107 Ų10780 Ų8050%0.543%0.427SS..  trans-83.4152.3-176.3-62.7-65.713800113C119 C122C119-E124 VanDerWaalsContact CB-O 3.31Å; C119-E124 WeakPolarHBondContact CB-O 3.04Å; C119-E124 PolarHBondContact N-O 2.83Å; C122-E124 VanDerWaalsContact C-N 3.25Å; C122-E124 PolarHBondContact O-N 2.96Å
125F80.8Confident81.3Confident117 Ų11778.5 Ų78.551%0.51341%0.414SS..SBendtrans-86.7162.3176.7-63.8-89.1000112.1E116 K118E116-F125 WeakPolarHBondContact O-CD1 3.19Å; E116-F125 VanDerWaalsContact O-CE1 3.27Å; E116-F125 WeakPolarHBondContact O-CE1 3.48Å; K118-F125 HydrophobicContact CB-CD1 3.9Å; K118-F125 HydrophobicContact CB-CE1 3.7Å; K118-F125 HydrophobicContact CB-CE2 4.43Å; K118-F125 HydrophobicContact CB-CG 4.37Å; K118-F125 HydrophobicContact CB-CZ 3.98Å; K118-F125 HydrophobicContact CD-CZ 4.45Å
126G82.7Confident81.9Confident79 Ų7977.9 Ų77.981%0.81440%0.404SS*.SBendtrans92.4-2174.400000115.8
127H87.5Confident82.4Confident48 Ų4874 Ų7422%0.22239%0.386CS..SBendtrans-153159.317066.7-78.3000111.2C119 C122 D131 C132C119-H127 WeakPolarHBondContact CB-O 3.44Å; C122-H127 PolarHBondContact SG-CE1 3.46Å; C122-H127 PolarHBondContact SG-NE2 3.27Å; H127-D131 HydrophobicContact CB-CB 4.42Å; H127-C132 WeakPolarHBondContact CD2-CA 3.12Å; H127-C132 PolarHBondContact NE2-SG 2.76Å
128I83.7Confident82.3Confident72 Ų7276.9 Ų76.937%0.36940%0.395SS..  trans-94.9166.1174.957168.5000111.3K130 D131 C132I128-K130 HydrophobicContact CD1-CB 4.04Å; I128-K130 HydrophobicContact CD1-CD 4.32Å; I128-K130 HydrophobicContact CD1-CG 4.36Å; I128-K130 HydrophobicContact CG1-CB 4.24Å; I128-K130 PolarHBondContact O-N 2.72Å; I128-D131 HydrophobicContact CG1-CB 4.5Å; I128-D131 WeakPolarHBondContact CG1-OD2 3.03Å; I128-D131 CarbonylContact O-C 3.5Å; I128-D131 PolarHBondContact O-N 2.93Å; I128-C132 PolarHBondContact O-N 3.45Å
129Q80.5Confident82Confident85 Ų8577.9 Ų77.940%0.39740%0.397SS..G310 helixtrans-49.9-33.2178.4178.7170.948.500113.9S121 C132S121-Q129 WeakPolarHBondContact OG-CG 3.1Å; S121-Q129 PolarHBondContact OG-NE2 3.27Å; Q129-C132 WeakPolarHBondContact O-CB 3.36Å; Q129-C132 PolarHBondContact O-N 3.18Å
130K79.7Confident81.9Confident189 Ų18979.6 Ų79.682%0.82241%0.409SS*.G310 helixtrans-68.3-34.2179.3-67.5-175.1177.2-1780113.3I128I128-K130 HydrophobicContact CD1-CB 4.04Å; I128-K130 HydrophobicContact CD1-CD 4.32Å; I128-K130 HydrophobicContact CD1-CG 4.36Å; I128-K130 HydrophobicContact CG1-CB 4.24Å; I128-K130 PolarHBondContact O-N 2.72Å
131D84Confident81.8Confident111 Ų11175.7 Ų75.759%0.59441%0.405SS*.G310 helixtrans-100.212.6-177.5-54.7-60.4000111.5H127 I128 T133H127-D131 HydrophobicContact CB-CB 4.42Å; I128-D131 HydrophobicContact CG1-CB 4.5Å; I128-D131 WeakPolarHBondContact CG1-OD2 3.03Å; I128-D131 CarbonylContact O-C 3.5Å; I128-D131 PolarHBondContact O-N 2.93Å; D131-T133 PolarHBondContact O-N 2.72Å
132C84.9Confident81.9Confident9 Ų978.3 Ų78.36%0.06141%0.414CS..  trans-78.6105.7-176.9-171.30000111.8C119 C122 H127 I128 Q129 K134 V135C119-C132 VanDerWaalsContact SG-CB 3.56Å; C122-C132 PolarHBondContact SG-SG 2.77Å; H127-C132 WeakPolarHBondContact CD2-CA 3.12Å; H127-C132 PolarHBondContact NE2-SG 2.76Å; I128-C132 PolarHBondContact O-N 3.45Å; Q129-C132 WeakPolarHBondContact O-CB 3.36Å; Q129-C132 PolarHBondContact O-N 3.18Å; C132-K134 PolarHBondContact O-N 3.09Å; C132-V135 HydrophobicContact CB-CB 4.45Å; C132-V135 WeakPolarHBondContact O-CB 3.34Å; C132-V135 WeakPolarHBondContact O-CG1 3.29Å; C132-V135 PolarHBondContact O-N 3.25Å; C132-V135 PolarHBondContact SG-N 3.08Å
133T82.4Confident82.1Confident114 Ų11481 Ų8170%0.69943%0.43SS*.THydrogen-bonded Turntrans-70.5-21.2172.355.30000112.9D131 V135 G144D131-T133 PolarHBondContact O-N 2.72Å; T133-V135 VanDerWaalsContact C-N 3.29Å; T133-G144 VanDerWaalsContact O-CA 3.28Å; T133-G144 WeakPolarHBondContact O-CA 3.49Å
134K83.2Confident82.3Confident123 Ų12381.6 Ų81.654%0.53544%0.435SS..THydrogen-bonded Turntrans-91.316.2175.7-62.2-174.4-172.1178.60113C122 C132 K136C122-K134 HydrophobicContact CB-CB 4.01Å; C132-K134 PolarHBondContact O-N 3.09Å; K134-K136 PolarHBondContact O-N 2.63Å
135V85.8Confident82.5Confident18 Ų1878.3 Ų78.311%0.10942%0.42CS..PPolyproline II helixtrans-59.2125.4176.665.70000109.6C132 T133 T143 G144 V146C132-V135 HydrophobicContact CB-CB 4.45Å; C132-V135 WeakPolarHBondContact O-CB 3.34Å; C132-V135 WeakPolarHBondContact O-CG1 3.29Å; C132-V135 PolarHBondContact O-N 3.25Å; C132-V135 PolarHBondContact SG-N 3.08Å; T133-V135 VanDerWaalsContact C-N 3.29Å; V135-T143 CarbonylContact O-C 3.59Å; V135-T143 VanDerWaalsContact O-CA 3.27Å; V135-T143 WeakPolarHBondContact O-CA 3.39Å; V135-G144 PolarHBondContact O-N 2.76Å; V135-V146 HydrophobicContact CG1-CG1 4.07Å; V135-V146 HydrophobicContact CG2-CG1 4.01Å
136K84Confident82.6Confident120 Ų12075.7 Ų75.752%0.52241%0.413SS..BIsolated β-bridgetrans-84130.3179.1-170.7176.2179.1178.30109.8K134 Y138 G141 T143K134-K136 PolarHBondContact O-N 2.63Å; K136-Y138 PolarHBondContact O-N 3.47Å; K136-G141 WeakPolarHBondContact CE-O 3.36Å; K136-G141 WeakPolarHBondContact CG-O 3.11Å; K136-T143 HydrophobicContact CB-CG2 4.14Å; K136-T143 HydrophobicContact CG-CG2 4.4Å
137C83.3Confident82.5Confident0 Ų072.8 Ų72.80%038%0.382CS..PPolyproline II helixtrans-71.2117.9172.4176.60000109.8R139 C140 G141 E142 H145 A147 C150C137-R139 PolarHBondContact O-N 3.33Å; C137-R139 PolarHBondContact SG-N 3Å; C137-C140 VanDerWaalsContact CB-SG 3.56Å; C137-C140 PolarHBondContact SG-N 3.39Å; C137-C140 PolarHBondContact SG-SG 3.49Å; C137-G141 WeakPolarHBondContact O-CA 3.45Å; C137-G141 PolarHBondContact O-N 2.93Å; C137-E142 WeakPolarHBondContact CB-O 3.4Å; C137-E142 PolarHBondContact N-O 3.33Å; C137-H145 VanDerWaalsContact CB-NE2 3.31Å; C137-H145 WeakPolarHBondContact CB-NE2 3.4Å; C137-H145 PolarHBondContact N-O 3.29Å; C137-H145 PolarHBondContact SG-NE2 3.42Å; C137-A147 VanDerWaalsContact SG-CA 3.59Å; C137-C150 VanDerWaalsContact SG-CB 3.58Å
138Y77Confident82Confident115 Ų11577.1 Ų77.145%0.45141%0.405SS..THydrogen-bonded Turntrans-70.2-10.3175.8-61.7-81.9000114V46 K136V46-Y138 HydrophobicContact CB-CE1 4.48Å; V46-Y138 HydrophobicContact CG2-CD1 4.07Å; V46-Y138 HydrophobicContact CG2-CE1 3.65Å; V46-Y138 HydrophobicContact CG2-CE2 4.4Å; K136-Y138 PolarHBondContact O-N 3.47Å
139R74.7Confident81.9Confident101 Ų10179.2 Ų79.238%0.38142%0.417SS..THydrogen-bonded Turntrans-91-44.3177.5-106.1-170.4-88.8176.5-4.9113C137 A147 C150 S154C137-R139 PolarHBondContact O-N 3.33Å; C137-R139 PolarHBondContact SG-N 3Å; R139-A147 HydrophobicContact CB-CB 4.24Å; R139-A147 PolarHBondContact NE-O 3.44Å; R139-A147 VanDerWaalsContact NE-O 3.09Å; R139-A147 PolarHBondContact NH2-O 3.41Å; R139-C150 HydrophobicContact CB-CB 4.4Å; R139-S154 PolarHBondContact O-OG 3.36Å
140C81Confident81.9Confident37 Ų3776 Ų7625%0.2540%0.403CS..THydrogen-bonded Turntrans-113.8-6.6-177.9720000115C137 E142 H145 K152C137-C140 VanDerWaalsContact CB-SG 3.56Å; C137-C140 PolarHBondContact SG-N 3.39Å; C137-C140 PolarHBondContact SG-SG 3.49Å; C140-E142 PolarHBondContact O-N 3.15Å; C140-E142 PolarHBondContact SG-N 3.34Å; C140-H145 VanDerWaalsContact SG-CE1 3.53Å; C140-H145 PolarHBondContact SG-NE2 3.49Å; C140-H145 VanDerWaalsContact SG-NE2 3.43Å; C140-K152 HydrophobicContact CB-CB 4.34Å; C140-K152 HydrophobicContact CB-CD 4.11Å
141G80.3Confident81.8Confident38 Ų3872.3 Ų72.339%0.39240%0.402SS..  trans77.5-4.4-178.300000115.6K136 C137K136-G141 WeakPolarHBondContact CE-O 3.36Å; K136-G141 WeakPolarHBondContact CG-O 3.11Å; C137-G141 WeakPolarHBondContact O-CA 3.45Å; C137-G141 PolarHBondContact O-N 2.93Å
142E82.9Confident81.1Confident85 Ų8572 Ų7240%0.39740%0.395SS..  trans-84.8148-179.3-64.9176138.900112.3C137 C140 K152C137-E142 WeakPolarHBondContact CB-O 3.4Å; C137-E142 PolarHBondContact N-O 3.33Å; C140-E142 PolarHBondContact O-N 3.15Å; C140-E142 PolarHBondContact SG-N 3.34Å; E142-K152 IonicContact OE1-NZ 2.93Å; E142-K152 PolarHBondContact OE1-NZ 2.67Å; E142-K152 WeakPolarHBondContact OE2-CE 3.41Å; E142-K152 IonicContact OE2-NZ 3.27Å; E142-K152 PolarHBondContact OE2-NZ 2.72Å
143T84.7Confident80.1Confident93 Ų9378.3 Ų78.357%0.57143%0.434SS*.BIsolated β-bridgetrans-89.1153.8176.254.70000111.8V135 K136V135-T143 CarbonylContact O-C 3.59Å; V135-T143 VanDerWaalsContact O-CA 3.27Å; V135-T143 WeakPolarHBondContact O-CA 3.39Å; K136-T143 HydrophobicContact CB-CG2 4.14Å; K136-T143 HydrophobicContact CG-CG2 4.4Å
144G84.1Confident79Confident53 Ų5374.3 Ų74.355%0.54641%0.411SS..SBendtrans112.1-8.6176.800000114.2T133 V135T133-G144 VanDerWaalsContact O-CA 3.28Å; T133-G144 WeakPolarHBondContact O-CA 3.49Å; V135-G144 PolarHBondContact O-N 2.76Å
145H85.5Confident78Confident38 Ų3875.4 Ų75.418%0.17642%0.418CS..SBendtrans-150.7153.6175.564.9-82.5000111.3C137 C140 N149 C150C137-H145 VanDerWaalsContact CB-NE2 3.31Å; C137-H145 WeakPolarHBondContact CB-NE2 3.4Å; C137-H145 PolarHBondContact N-O 3.29Å; C137-H145 PolarHBondContact SG-NE2 3.42Å; C140-H145 VanDerWaalsContact SG-CE1 3.53Å; C140-H145 PolarHBondContact SG-NE2 3.49Å; C140-H145 VanDerWaalsContact SG-NE2 3.43Å; H145-N149 HydrophobicContact CB-CB 4.48Å; H145-C150 VanDerWaalsContact CD2-CA 3.42Å; H145-C150 WeakPolarHBondContact CD2-CA 3.43Å; H145-C150 WeakPolarHBondContact NE2-CA 3.04Å; H145-C150 PolarHBondContact NE2-SG 3.44Å
146V82.7Confident77.2Confident61 Ų6176.5 Ų76.537%0.3742%0.424SS..  trans-79.2153.7170.8-68.80000110.4V135 I148 N149 C150V135-V146 HydrophobicContact CG1-CG1 4.07Å; V135-V146 HydrophobicContact CG2-CG1 4.01Å; V146-I148 HydrophobicContact CG2-CB 4.2Å; V146-I148 PolarHBondContact O-N 3.31Å; V146-N149 HydrophobicContact CG2-CB 4.26Å; V146-N149 PolarHBondContact O-N 3.48Å; V146-C150 PolarHBondContact O-N 3.16Å
147A79.8Confident76.5Confident18 Ų1874.7 Ų74.715%0.14942%0.42CS..G310 helixtrans-53.6-26.2-179.700000114C137 R139 N149 C150C137-A147 VanDerWaalsContact SG-CA 3.59Å; R139-A147 HydrophobicContact CB-CB 4.24Å; R139-A147 PolarHBondContact NE-O 3.44Å; R139-A147 VanDerWaalsContact NE-O 3.09Å; R139-A147 PolarHBondContact NH2-O 3.41Å; A147-N149 VanDerWaalsContact C-N 3.34Å; A147-C150 WeakPolarHBondContact O-CB 2.95Å; A147-C150 PolarHBondContact O-N 2.92Å
148I77.4Confident76.1Confident140 Ų14074.8 Ų74.872%0.71842%0.421SS*.G310 helixtrans-64.9-37175.1-66.9165.6000112.1V146 C150V146-I148 HydrophobicContact CG2-CB 4.2Å; V146-I148 PolarHBondContact O-N 3.31Å; I148-C150 VanDerWaalsContact C-N 3.35Å
149N81.2Confident75.9Confident115 Ų11576.5 Ų76.562%0.61543%0.427SS*.G310 helixtrans-9818.7-178.3-62.9-21.3000112H145 V146 A147 S151H145-N149 HydrophobicContact CB-CB 4.48Å; V146-N149 HydrophobicContact CG2-CB 4.26Å; V146-N149 PolarHBondContact O-N 3.48Å; A147-N149 VanDerWaalsContact C-N 3.34Å; N149-S151 PolarHBondContact O-N 2.81Å
150C81.8Confident75.8Confident17 Ų1778 Ų7812%0.11543%0.433CS..  trans-74.2117.1179-169.20000110.2C137 R139 H145 V146 A147 I148 K152C137-C150 VanDerWaalsContact SG-CB 3.58Å; R139-C150 HydrophobicContact CB-CB 4.4Å; H145-C150 VanDerWaalsContact CD2-CA 3.42Å; H145-C150 WeakPolarHBondContact CD2-CA 3.43Å; H145-C150 WeakPolarHBondContact NE2-CA 3.04Å; H145-C150 PolarHBondContact NE2-SG 3.44Å; V146-C150 PolarHBondContact O-N 3.16Å; A147-C150 WeakPolarHBondContact O-CB 2.95Å; A147-C150 PolarHBondContact O-N 2.92Å; I148-C150 VanDerWaalsContact C-N 3.35Å; C150-K152 VanDerWaalsContact C-N 3.34Å
151S77.4Confident75.8Confident113 Ų11378.1 Ų78.179%0.7943%0.434SS*.  trans-79.8-15.3178.345.20000113.4N149 T153N149-S151 PolarHBondContact O-N 2.81Å; S151-T153 PolarHBondContact O-N 2.83Å
152K69.7Low75.5Confident103 Ų10379 Ų7945%0.44844%0.443SS..SBendtrans-79116.5172.4-64-174.8-176.4177.20108.4C140 E142 C150 S154C140-K152 HydrophobicContact CB-CB 4.34Å; C140-K152 HydrophobicContact CB-CD 4.11Å; E142-K152 IonicContact OE1-NZ 2.93Å; E142-K152 PolarHBondContact OE1-NZ 2.67Å; E142-K152 WeakPolarHBondContact OE2-CE 3.41Å; E142-K152 IonicContact OE2-NZ 3.27Å; E142-K152 PolarHBondContact OE2-NZ 2.72Å; C150-K152 VanDerWaalsContact C-N 3.34Å; K152-S154 PolarHBondContact O-N 2.91Å; K152-S154 PolarHBondContact O-OG 2.6Å
153T63.4Low75Confident142 Ų14280.9 Ų80.987%0.87145%0.452SS*.  trans-63.573.3157.6-60.50000107.4S151S151-T153 PolarHBondContact O-N 2.83Å
154S59.8Low74.5Confident31 Ų3179.7 Ų79.722%0.21745%0.447CS..  trans-66.3132.9160.735.10000105.6R139 K152 V156R139-S154 PolarHBondContact O-OG 3.36Å; K152-S154 PolarHBondContact O-N 2.91Å; K152-S154 PolarHBondContact O-OG 2.6Å; S154-V156 PolarHBondContact O-N 3.06Å
155E61.1Low74.2Confident146 Ų14680.5 Ų80.568%0.68246%0.455SS*.  trans-43111.9176.2-64.6179.3119.900108.2N157E155-N157 VanDerWaalsContact C-N 3.28Å; E155-N157 PolarHBondContact O-N 3.18Å; E155-N157 PolarHBondContact O-OD1 3.36Å
156V68.6Low74Confident41 Ų4180.4 Ų80.425%0.24846%0.455CS..  trans-68.798.5-176.5175.60000105.9S154 S164 G165 H166 L167S154-V156 PolarHBondContact O-N 3.06Å; V156-S164 CarbonylContact O-C 3.55Å; V156-S164 WeakPolarHBondContact O-CA 3.17Å; V156-G165 PolarHBondContact O-N 2.88Å; V156-H166 WeakPolarHBondContact CG1-O 3.47Å; V156-L167 HydrophobicContact CG1-CB 4.37Å; V156-L167 HydrophobicContact CG1-CD2 3.34Å; V156-L167 HydrophobicContact CG1-CG 3.72Å
157N70.1Confident73.7Confident82 Ų8281.3 Ų81.344%0.43946%0.457SS..BIsolated β-bridgetrans-84125.7174.7-62.2-22.6000107.8E155 Y159 E163 S164E155-N157 VanDerWaalsContact C-N 3.28Å; E155-N157 PolarHBondContact O-N 3.18Å; E155-N157 PolarHBondContact O-OD1 3.36Å; N157-Y159 PolarHBondContact O-N 3.19Å; N157-Y159 VanDerWaalsContact O-N 3.15Å; N157-E163 WeakPolarHBondContact CA-O 3.43Å; N157-S164 VanDerWaalsContact OD1-CA 3.28Å; N157-S164 WeakPolarHBondContact OD1-CA 3.41Å; N157-S164 WeakPolarHBondContact OD1-CB 3.34Å
158C75.3Confident73.6Confident1 Ų181.7 Ų81.71%0.00746%0.461CS..  trans-64116175.8171.50000109.7R160 C161 G162 E163 H166 C171C158-R160 PolarHBondContact O-N 3.15Å; C158-R160 PolarHBondContact SG-N 3.4Å; C158-C161 WeakPolarHBondContact CB-SG 3.2Å; C158-C161 PolarHBondContact O-N 2.89Å; C158-C161 PolarHBondContact SG-N 3.47Å; C158-C161 VanDerWaalsContact SG-N 3.41Å; C158-C161 PolarHBondContact SG-SG 3.31Å; C158-G162 WeakPolarHBondContact O-CA 3.45Å; C158-G162 PolarHBondContact O-N 3.07Å; C158-E163 WeakPolarHBondContact CB-O 3.12Å; C158-E163 PolarHBondContact N-O 2.06Å; C158-H166 WeakPolarHBondContact CB-NE2 3.39Å; C158-H166 PolarHBondContact SG-NE2 3.3Å; C158-H166 VanDerWaalsContact SG-NE2 3.39Å; C158-C171 WeakPolarHBondContact SG-CB 3.42Å; C158-C171 PolarHBondContact SG-SG 2.92Å
159Y72.9Confident73.6Confident152 Ų15285 Ų8560%0.59646%0.464SS*.THydrogen-bonded Turntrans-61.9-9.9176.2-64.4-76.9000114.8N157 A168N157-Y159 PolarHBondContact O-N 3.19Å; N157-Y159 VanDerWaalsContact O-N 3.15Å; Y159-A168 HydrophobicContact CD2-CB 4.44Å
160R73.1Confident73.3Confident132 Ų13285.7 Ų85.750%0.49846%0.464SS..THydrogen-bonded Turntrans-94.6-39.3177.4-170.7-173.8-72.51630.4112.6C158 C171 I173 A175C158-R160 PolarHBondContact O-N 3.15Å; C158-R160 PolarHBondContact SG-N 3.4Å; R160-C171 HydrophobicContact CB-CB 4.45Å; R160-C171 PolarHBondContact NH1-O 3.16Å; R160-I173 WeakPolarHBondContact CD-O 3.43Å; R160-A175 HydrophobicContact CG-CB 4.05Å
161C79.8Confident73.3Confident39 Ų3985.4 Ų85.426%0.26446%0.462SS..THydrogen-bonded Turntrans-117.9-6.5-175.1700000114.9C158 E163 H166 I173C158-C161 WeakPolarHBondContact CB-SG 3.2Å; C158-C161 PolarHBondContact O-N 2.89Å; C158-C161 PolarHBondContact SG-N 3.47Å; C158-C161 VanDerWaalsContact SG-N 3.41Å; C158-C161 PolarHBondContact SG-SG 3.31Å; C161-E163 PolarHBondContact O-N 2.98Å; C161-H166 VanDerWaalsContact SG-CE1 3.54Å; C161-I173 HydrophobicContact CB-CB 4.34Å; C161-I173 HydrophobicContact CB-CD1 3.48Å; C161-I173 VanDerWaalsContact CB-CD1 3.48Å; C161-I173 HydrophobicContact CB-CG1 4.41Å
162G73.3Confident73.6Confident57 Ų5786.3 Ų86.359%0.58846%0.463SS*.  trans77.5-11.7-179.200000115.3C158C158-G162 WeakPolarHBondContact O-CA 3.45Å; C158-G162 PolarHBondContact O-N 3.07Å
163E73Confident73.8Confident125 Ų12585 Ų8558%0.58446%0.46SS*.  trans-79.4145.3-178.6-68.4-156.8116.200113.5N157 C158 C161N157-E163 WeakPolarHBondContact CA-O 3.43Å; C158-E163 WeakPolarHBondContact CB-O 3.12Å; C158-E163 PolarHBondContact N-O 2.06Å; C161-E163 PolarHBondContact O-N 2.98Å
164S75.2Confident74Confident67 Ų6786.5 Ų86.547%0.46946%0.457SS..BIsolated β-bridgetrans-79149.7176.260.20000112V156 N157V156-S164 CarbonylContact O-C 3.55Å; V156-S164 WeakPolarHBondContact O-CA 3.17Å; N157-S164 VanDerWaalsContact OD1-CA 3.28Å; N157-S164 WeakPolarHBondContact OD1-CA 3.41Å; N157-S164 WeakPolarHBondContact OD1-CB 3.34Å
165G76.7Confident73.8Confident70 Ų7088.2 Ų88.272%0.72247%0.473SS*.SBendtrans112.4-3.3170.100000115.8V156V156-G165 PolarHBondContact O-N 2.88Å
166H81.4Confident73.5Confident37 Ų3788 Ų8817%0.17148%0.482CS..SBendtrans-153153.617566.2-80.9000112.2V156 C158 C161 E170 C171V156-H166 WeakPolarHBondContact CG1-O 3.47Å; C158-H166 WeakPolarHBondContact CB-NE2 3.39Å; C158-H166 PolarHBondContact SG-NE2 3.3Å; C158-H166 VanDerWaalsContact SG-NE2 3.39Å; C161-H166 VanDerWaalsContact SG-CE1 3.54Å; H166-E170 HydrophobicContact CB-CB 4.19Å; H166-C171 WeakPolarHBondContact CD2-CA 3.42Å; H166-C171 PolarHBondContact CD2-N 3.21Å; H166-C171 WeakPolarHBondContact NE2-CA 3.28Å; H166-C171 WeakPolarHBondContact NE2-CB 3.07Å; H166-C171 PolarHBondContact NE2-SG 2.77Å; H166-C171 VanDerWaalsContact NE2-SG 3.43Å
167L77.5Confident72.2Confident79 Ų7992.7 Ų92.741%0.41453%0.525SS..  trans-75.8154173.6-71.3164.5000110.3V156 R169 E170 C171V156-L167 HydrophobicContact CG1-CB 4.37Å; V156-L167 HydrophobicContact CG1-CD2 3.34Å; V156-L167 HydrophobicContact CG1-CG 3.72Å; L167-R169 PolarHBondContact O-N 3.39Å; L167-E170 WeakPolarHBondContact O-CA 3.24Å; L167-E170 PolarHBondContact O-N 3.43Å; L167-C171 PolarHBondContact O-N 3.3Å
168A77.7Confident72.3Confident27 Ų2793.2 Ų93.222%0.22353%0.529CS..THydrogen-bonded Turntrans-55.4-15.717700000115.1Y159Y159-A168 HydrophobicContact CD2-CB 4.44Å
169R76Confident72.2Confident210 Ų21098.1 Ų98.179%0.79256%0.557SS**THydrogen-bonded Turntrans-79.7-27.3174.7-59-175.474153.67.8113.3L167L167-R169 PolarHBondContact O-N 3.39Å
170E76.2Confident72.1Confident128 Ų12895.1 Ų95.160%0.59855%0.554SS**SBendtrans-98.55.1179.1-66.1164.8177.800111H166 L167 T172H166-E170 HydrophobicContact CB-CB 4.19Å; L167-E170 WeakPolarHBondContact O-CA 3.24Å; L167-E170 PolarHBondContact O-N 3.43Å; E170-T172 PolarHBondContact O-N 2.82Å; E170-T172 VanDerWaalsContact O-N 3.16Å
171C81.2Confident72.1Confident11 Ų1192.9 Ų92.97%0.07456%0.558CS.*  trans-69.8112.4178.3-1690000110.1C158 R160 H166 L167 I173C158-C171 WeakPolarHBondContact SG-CB 3.42Å; C158-C171 PolarHBondContact SG-SG 2.92Å; R160-C171 HydrophobicContact CB-CB 4.45Å; R160-C171 PolarHBondContact NH1-O 3.16Å; H166-C171 WeakPolarHBondContact CD2-CA 3.42Å; H166-C171 PolarHBondContact CD2-N 3.21Å; H166-C171 WeakPolarHBondContact NE2-CA 3.28Å; H166-C171 WeakPolarHBondContact NE2-CB 3.07Å; H166-C171 PolarHBondContact NE2-SG 2.77Å; H166-C171 VanDerWaalsContact NE2-SG 3.43Å; L167-C171 PolarHBondContact O-N 3.3Å; C171-I173 VanDerWaalsContact C-N 3.25Å
172T82.9Confident71.6Confident132 Ų13296.3 Ų96.381%0.8158%0.576SS**  trans-78.5-11.6176.552.30000112.7E170 E174E170-T172 PolarHBondContact O-N 2.82Å; E170-T172 VanDerWaalsContact O-N 3.16Å; T172-E174 PolarHBondContact O-N 2.91Å
173I75.6Confident71.5Confident77 Ų7798.9 Ų98.940%0.39558%0.575SS.*SBendtrans-79.3116.5177.1-50.7170000107.3R160 C161 C171 A175R160-I173 WeakPolarHBondContact CD-O 3.43Å; C161-I173 HydrophobicContact CB-CB 4.34Å; C161-I173 HydrophobicContact CB-CD1 3.48Å; C161-I173 VanDerWaalsContact CB-CD1 3.48Å; C161-I173 HydrophobicContact CB-CG1 4.41Å; C171-I173 VanDerWaalsContact C-N 3.25Å; I173-A175 PolarHBondContact O-N 3.31Å
174E66.5Low71.4Confident173 Ų17397 Ų9781%0.80858%0.575SS**  trans-62.8131.4171.1-64.6-153139.300108.4T172 T176T172-E174 PolarHBondContact O-N 2.91Å; E174-T176 PolarHBondContact O-N 2.81Å
175A56.3Low71.1Confident67 Ų6799.3 Ų99.355%0.55458%0.583SS**  trans-60.3105.3-178.500000108.6R160 I173 A177R160-A175 HydrophobicContact CG-CB 4.05Å; I173-A175 PolarHBondContact O-N 3.31Å; A175-A177 PolarHBondContact O-N 3.27Å
176T53.6Low70.6Confident140 Ų140101.8 Ų101.886%0.85957%0.571SS**  trans-63.3112.6163.639.40000106.2E174E174-T176 PolarHBondContact O-N 2.81Å
177A43Very low69.7Low140 Ų140107.6 Ų107.6100%1.15761%0.608SS**  trans-66.20-171.100000112.3A175A175-A177 PolarHBondContact O-N 3.27Å

Retrieved 177 of 177 residues in 38.3 ms (Link to these results)