A0A077ZCC6_TRITR Loading...

UQ con domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZCC6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 110 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
1M38.9Very low58.7Low226 Ų226132.1 Ų132.1100%1.11369%0.693SS**  0112.60-62.8-61.4176.100107.8G3M1-G3 VanDerWaalsContact C-N 3.33Å; M1-G3 PolarHBondContact O-N 2.9Å
2P45.3Very low60Low133 Ų133125.7 Ų125.786%0.86467%0.667SS**  trans-64.3100.9170.627.3-29.5000106.6N4P2-N4 PolarHBondContact O-N 3.39Å
3G53.3Low61.5Low61 Ų61122.1 Ų122.163%0.62965%0.652SS**  trans-59.2123.9-173.600000109.1M1 R5M1-G3 VanDerWaalsContact C-N 3.33Å; M1-G3 PolarHBondContact O-N 2.9Å; G3-R5 PolarHBondContact O-N 3.45Å
4N53.9Low62.7Low139 Ų139122.9 Ų122.974%0.74364%0.643SS**  trans-54.577.8168.9-101.413.5000109.7P2 L6P2-N4 PolarHBondContact O-N 3.39Å; N4-L6 HydrophobicContact CB-CG 4.49Å; N4-L6 PolarHBondContact O-N 2.94Å
5R53.7Low63.7Low239 Ų239118.7 Ų118.790%0.90263%0.627SS**  trans-7863162.9-70.5-167.9-167.9-172.74.8107G3G3-R5 PolarHBondContact O-N 3.45Å
6L49.9Very low64.7Low96 Ų96116.3 Ų116.350%0.50361%0.614SS.*  trans-60.5125.8164.3-70.3169.8000105.7N4 L8N4-L6 HydrophobicContact CB-CG 4.49Å; N4-L6 PolarHBondContact O-N 2.94Å; L6-L8 PolarHBondContact O-N 3.19Å
7P62.7Low65.2Low110 Ų110112.2 Ų112.271%0.71460%0.596SS**  trans-54.8135.1179.522.1-32.2000108.9K9P7-K9 PolarHBondContact O-N 2.9Å
8L65.1Low65.3Low82 Ų82107.1 Ų107.143%0.42957%0.57SS.*  trans-58114.4176.2-77.7165.2000108.2L6 V48 R50 P52 Y53L6-L8 PolarHBondContact O-N 3.19Å; L8-V48 HydrophobicContact CD2-CG1 4.01Å; L8-R50 WeakPolarHBondContact CA-O 3.42Å; L8-P52 HydrophobicContact CD2-CG 4.04Å; L8-Y53 HydrophobicContact CD1-CD2 4.02Å; L8-Y53 HydrophobicContact CD1-CE2 4.2Å; L8-Y53 HydrophobicContact CD2-CD2 3.71Å
9K73.6Confident65Low135 Ų135105.4 Ų105.459%0.58757%0.573SS**EExtended strand (participates in β ladder)trans-101.3113.2175.8-168.8174.2-179.4175.70108.1P7 G49 R50P7-K9 PolarHBondContact O-N 2.9Å; K9-G49 WeakPolarHBondContact O-CA 3.37Å; K9-G49 PolarHBondContact O-N 2.84Å; K9-R50 HydrophobicContact CB-CB 3.99Å; K9-R50 HydrophobicContact CB-CG 4.42Å; K9-R50 PolarHBondContact N-O 3.48Å; K9-R50 VanDerWaalsContact N-O 3.13Å; K9-R50 PolarHBondContact O-N 2.81Å
10L73Confident64.3Low90 Ų90104.8 Ų104.847%0.47158%0.576SS.*EExtended strand (participates in β ladder)trans-66.8134.4171.1-61.4-178.3000109.3V13 L46 V48L10-V13 HydrophobicContact CD1-CG2 4.18Å; L10-L46 HydrophobicContact CD1-CD1 3.73Å; L10-L46 HydrophobicContact CD2-CD1 3.41Å; L10-L46 VanDerWaalsContact CD2-CD1 3.41Å; L10-L46 HydrophobicContact CD2-CD2 4.22Å; L10-L46 HydrophobicContact CD2-CG 3.94Å; L10-L46 HydrophobicContact CG-CD1 4.11Å; L10-V48 HydrophobicContact CD2-CG2 4.28Å
11Q76Confident63.7Low142 Ų142101 Ų10166%0.66456%0.558SS**EExtended strand (participates in β ladder)trans-82.9-48.7174179.8173.9-6.800110F47Q11-F47 HydrophobicContact CB-CB 4.05Å; Q11-F47 WeakPolarHBondContact CB-O 3.3Å; Q11-F47 PolarHBondContact N-O 2.83Å
12S74.7Confident64.1Low55 Ų5594.4 Ų94.439%0.38553%0.534SS..EExtended strand (participates in β ladder)trans-162.1157.8175.357.60000111.2F47S12-F47 PolarHBondContact O-N 2.81Å; S12-F47 VanDerWaalsContact OG-CD2 3.25Å; S12-F47 WeakPolarHBondContact OG-CD2 3.45Å
13V79.4Confident64Low79 Ų7993.5 Ų93.548%0.47953%0.526SS..EExtended strand (participates in β ladder)trans-125.2125169.1-173.30000107.2L10 L45 L46 F60L10-V13 HydrophobicContact CD1-CG2 4.18Å; V13-L45 WeakPolarHBondContact CA-O 3.23Å; V13-L46 HydrophobicContact CG2-CD1 3.59Å; V13-F60 HydrophobicContact CG1-CE1 3.88Å; V13-F60 HydrophobicContact CG1-CZ 3.79Å
14Y78.3Confident63.5Low134 Ų13493 Ų9353%0.52551%0.513SS..EExtended strand (participates in β ladder)trans-112.6133.8173.2-178.2-115.4000108.5I16 G44 L45Y14-I16 HydrophobicContact CD1-CD1 4.29Å; Y14-I16 HydrophobicContact CD1-CG1 4.18Å; Y14-I16 HydrophobicContact CE1-CD1 3.27Å; Y14-I16 HydrophobicContact CE1-CG1 3.34Å; Y14-I16 HydrophobicContact CE2-CG1 4.39Å; Y14-I16 VanDerWaalsContact CZ-CG1 3.45Å; Y14-I16 WeakPolarHBondContact OH-CD1 3.25Å; Y14-I16 WeakPolarHBondContact OH-CG1 3.46Å; Y14-G44 CarbonylContact O-C 3.45Å; Y14-G44 WeakPolarHBondContact O-CA 3.37Å; Y14-L45 PolarHBondContact N-O 2.96Å; Y14-L45 PolarHBondContact O-N 3.11Å
15C78.6Confident63.2Low59 Ų5993.3 Ų93.340%0.39951%0.513SS..EExtended strand (participates in β ladder)trans-136.7140.1177.558.60000110W42 N43C15-W42 HydrophobicContact CB-CE3 4.06Å; C15-N43 CarbonylContact C-O 3.55Å; C15-N43 WeakPolarHBondContact CA-O 3.4Å
16I79Confident62.8Low81 Ų8189.8 Ų89.842%0.41550%0.501SS..EExtended strand (participates in β ladder)trans-129.5131.2175.5-51.2164.6000107.3Y14 S18 W42 N43Y14-I16 HydrophobicContact CD1-CD1 4.29Å; Y14-I16 HydrophobicContact CD1-CG1 4.18Å; Y14-I16 HydrophobicContact CE1-CD1 3.27Å; Y14-I16 HydrophobicContact CE1-CG1 3.34Å; Y14-I16 HydrophobicContact CE2-CG1 4.39Å; Y14-I16 VanDerWaalsContact CZ-CG1 3.45Å; Y14-I16 WeakPolarHBondContact OH-CD1 3.25Å; Y14-I16 WeakPolarHBondContact OH-CG1 3.46Å; I16-S18 PolarHBondContact O-N 3.09Å; I16-W42 CarbonylContact O-C 3.37Å; I16-W42 WeakPolarHBondContact O-CA 3.46Å; I16-N43 PolarHBondContact N-O 2.91Å; I16-N43 PolarHBondContact O-N 3.13Å
17P73.4Confident62.6Low47 Ų4791.2 Ų91.231%0.30552%0.515SS..EExtended strand (participates in β ladder)trans-58.8134168.125-33000109.9A19 F39P17-A19 PolarHBondContact O-N 2.92Å; P17-A19 VanDerWaalsContact O-N 3.11Å; P17-F39 HydrophobicContact CB-CB 3.48Å; P17-F39 VanDerWaalsContact CB-CB 3.48Å; P17-F39 HydrophobicContact CB-CD1 4.16Å; P17-F39 HydrophobicContact CB-CD2 4.01Å; P17-F39 HydrophobicContact CB-CG 3.62Å; P17-F39 HydrophobicContact CG-CD2 4.47Å; P17-F39 HydrophobicContact CG-CG 4.5Å
18S66.8Low61.8Low20 Ų2097 Ų9714%0.1452%0.523CS..  trans-64.4117.517269.40000107.8I16 S20 F39 E41 N43I16-S18 PolarHBondContact O-N 3.09Å; S18-S20 PolarHBondContact O-N 2.87Å; S18-F39 WeakPolarHBondContact O-CD1 3.29Å; S18-E41 WeakPolarHBondContact CB-O 3.39Å; S18-E41 PolarHBondContact N-O 2.66Å; S18-E41 VanDerWaalsContact OG-CB 3.31Å; S18-E41 WeakPolarHBondContact OG-CB 3.4Å; S18-E41 PolarHBondContact OG-O 3.19Å; S18-E41 VanDerWaalsContact OG-O 3.06Å; S18-N43 WeakPolarHBondContact CB-ND2 3.38Å
19A58.8Low60.7Low74 Ų7498.8 Ų98.861%0.61253%0.532SS*.  trans-73.470.2172.800000108.6P17P17-A19 PolarHBondContact O-N 2.92Å; P17-A19 VanDerWaalsContact O-N 3.11Å
20S52.6Low59.4Low93 Ų9398 Ų9865%0.6554%0.544SS*.  trans-76.6-8.2167.953.70000111.6S18 S22S18-S20 PolarHBondContact O-N 2.87Å; S20-S22 VanDerWaalsContact C-N 3.27Å; S20-S22 PolarHBondContact O-N 2.89Å
21C50.2Low57.9Low27 Ų27100.2 Ų100.218%0.18256%0.556CS.*SBendtrans-63.9101.3162.5-157.40000106T23 C37 F39C21-T23 PolarHBondContact O-N 2.9Å; C21-T23 PolarHBondContact O-OG1 2.92Å; C21-C37 HydrophobicContact CB-CB 4.33Å; C21-F39 HydrophobicContact CB-CE1 4.34Å
22S48.2Very low56.5Low87 Ų8798.2 Ų98.261%0.60855%0.553SS**  trans-40.691.2176.736.90000108.9S20 S24S20-S22 VanDerWaalsContact C-N 3.27Å; S20-S22 PolarHBondContact O-N 2.89Å; S22-S24 PolarHBondContact O-N 2.81Å
23T42.5Very low55.3Low113 Ų113102.1 Ų102.169%0.69356%0.563SS**  trans-7959.5168.1-43.80000105.4C21 I25C21-T23 PolarHBondContact O-N 2.9Å; C21-T23 PolarHBondContact O-OG1 2.92Å; T23-I25 PolarHBondContact O-N 2.94Å
24S43Very low53.6Low52 Ų52104.8 Ų104.836%0.36457%0.574SS.*  trans-71.1110138.2-175.10000102.7S22 Y26S22-S24 PolarHBondContact O-N 2.81Å; S24-Y26 WeakPolarHBondContact O-CD2 3.37Å; S24-Y26 PolarHBondContact O-N 3.04Å
25I48.5Very low52.3Low144 Ų144105.2 Ų105.274%0.73859%0.585SS**  56.318.579.6-51.7158.3000110.8T23 P27T23-I25 PolarHBondContact O-N 2.94Å; I25-P27 WeakPolarHBondContact O-CD 3.43Å
26Y44.1Very low51.2Low166 Ų166110.6 Ų110.665%0.65161%0.605SS**  trans-94.782.2157.4-60.7-69.9000108.3S24 R28S24-Y26 WeakPolarHBondContact O-CD2 3.37Å; S24-Y26 PolarHBondContact O-N 3.04Å; Y26-R28 PolarHBondContact O-N 3.31Å
27P46.7Very low50Low125 Ų125109.3 Ų109.381%0.81260%0.602SS**THydrogen-bonded Turntrans-6512175.728.9-36.4000113.5I25I25-P27 WeakPolarHBondContact O-CD 3.43Å
28R46.2Very low49.3Very low231 Ų231110.5 Ų110.587%0.87261%0.609SS**THydrogen-bonded Turntrans-132.56.5-174.1-88.5-134.7172.2-148.50.4117.1Y26Y26-R28 PolarHBondContact O-N 3.31Å
29L42.2Very low49.6Very low120 Ų120113.1 Ų113.163%0.62862%0.618SS**  trans-12279.7175.5-93.3131.8000111.1L31 V32L29-L31 VanDerWaalsContact C-N 3.31Å; L29-L31 PolarHBondContact O-N 2.81Å; L29-V32 HydrophobicContact CD2-CG2 3.73Å
30S45.8Very low50.9Low119 Ų119112.1 Ų112.183%0.83260%0.602SS**THydrogen-bonded Turntrans-8117.1-174.128.40000115.8
31L41.9Very low52.5Low136 Ų136112.8 Ų112.871%0.71260%0.595SS**THydrogen-bonded Turntrans-146.3-0.5-176.2-104.1160.6000118L29 L34L29-L31 VanDerWaalsContact C-N 3.31Å; L29-L31 PolarHBondContact O-N 2.81Å; L31-L34 HydrophobicContact CD2-CD1 4.02Å
32V44.9Very low54.2Low101 Ų101115 Ų11561%0.61260%0.599SS**SBendtrans-96.4-14.6-165.9-175.70000115.8L29L29-V32 HydrophobicContact CD2-CG2 3.73Å
33F50.2Low56.2Low136 Ų136113.3 Ų113.360%0.59658%0.584SS**SBendtrans-105.113.7-178.7-73.2-76.7000115.8N35F33-N35 PolarHBondContact O-N 2.9Å
34L43.6Very low58.3Low135 Ų135108.1 Ų108.171%0.70755%0.552SS**THydrogen-bonded Turntrans-69.1-2-176.4-78.2174.1000115.6L31L31-L34 HydrophobicContact CD2-CD1 4.02Å
35N51.9Low60.5Low143 Ų143108.1 Ų108.177%0.76555%0.548SS*.THydrogen-bonded Turntrans-128.42.4-169.2-82.7-44.1000118F33F33-N35 PolarHBondContact O-N 2.9Å
36Q54.3Low62.4Low172 Ų172102.7 Ų102.780%0.80452%0.52SS*.THydrogen-bonded Turntrans-144.5-15.3-172.6-64.9-76.9-66.800117.3V38Q36-V38 VanDerWaalsContact C-N 3.28Å; Q36-V38 PolarHBondContact O-N 3.39Å
37C53.3Low64.5Low54 Ų5497.4 Ų97.437%0.36550%0.501SS..  trans-81.580.4176.6-83.30000110.3C21 F39C21-C37 HydrophobicContact CB-CB 4.33Å; C37-F39 PolarHBondContact O-N 2.78Å
38V60.5Low66.4Low73 Ų7391.8 Ų91.844%0.44246%0.464SS..  trans-70.6115.3158.5-174.90000106.2Q36 L40 F68Q36-V38 VanDerWaalsContact C-N 3.28Å; Q36-V38 PolarHBondContact O-N 3.39Å; V38-L40 HydrophobicContact CB-CD2 4.32Å; V38-L40 HydrophobicContact CG1-CD2 3.61Å; V38-L40 HydrophobicContact CG1-CG 4.26Å; V38-L40 PolarHBondContact O-N 3.03Å; V38-F68 HydrophobicContact CG1-CB 4.5Å; V38-F68 HydrophobicContact CG1-CD1 4.21Å
39F72.7Confident68.2Low75 Ų7581.8 Ų81.833%0.32943%0.433SS..  trans-73.498.8175.8-60.3-72.8000108.8P17 S18 C21 C37 W42P17-F39 HydrophobicContact CB-CB 3.48Å; P17-F39 VanDerWaalsContact CB-CB 3.48Å; P17-F39 HydrophobicContact CB-CD1 4.16Å; P17-F39 HydrophobicContact CB-CD2 4.01Å; P17-F39 HydrophobicContact CB-CG 3.62Å; P17-F39 HydrophobicContact CG-CD2 4.47Å; P17-F39 HydrophobicContact CG-CG 4.5Å; S18-F39 WeakPolarHBondContact O-CD1 3.29Å; C21-F39 HydrophobicContact CB-CE1 4.34Å; C37-F39 PolarHBondContact O-N 2.78Å; F39-W42 PolarHBondContact O-NE1 3.37Å
40L85Confident70.2Confident53 Ų5383.6 Ų83.628%0.27743%0.431SS..  trans-87.6-15.8-178.7-62.8177.9000112.9V38 S63 L64 P65 A66 F68V38-L40 HydrophobicContact CB-CD2 4.32Å; V38-L40 HydrophobicContact CG1-CD2 3.61Å; V38-L40 HydrophobicContact CG1-CG 4.26Å; V38-L40 PolarHBondContact O-N 3.03Å; L40-S63 CarbonylContact O-C 3.56Å; L40-S63 WeakPolarHBondContact O-CA 3.26Å; L40-L64 HydrophobicContact CD2-CB 4.24Å; L40-L64 WeakPolarHBondContact O-CB 3.39Å; L40-L64 PolarHBondContact O-N 3.34Å; L40-P65 WeakPolarHBondContact CD2-O 3.37Å; L40-A66 HydrophobicContact CD1-CB 4.22Å; L40-F68 HydrophobicContact CD2-CB 4.11Å
41E86.7Confident72.1Confident107 Ų10778.6 Ų78.650%0.540%0.399SS..EExtended strand (participates in β ladder)trans-114.8129.1177.7-71.6-173.9171.400110.1S18 L62S18-E41 WeakPolarHBondContact CB-O 3.39Å; S18-E41 PolarHBondContact N-O 2.66Å; S18-E41 VanDerWaalsContact OG-CB 3.31Å; S18-E41 WeakPolarHBondContact OG-CB 3.4Å; S18-E41 PolarHBondContact OG-O 3.19Å; S18-E41 VanDerWaalsContact OG-O 3.06Å; E41-L62 CarbonylContact C-O 3.55Å; E41-L62 WeakPolarHBondContact CA-O 3.4Å
42W87Confident74.1Confident72 Ų7277 Ų7727%0.27340%0.396SS..EExtended strand (participates in β ladder)trans-125.5131.1-177.5-71.243000108.2C15 I16 F39 Q61 L62 L64C15-W42 HydrophobicContact CB-CE3 4.06Å; I16-W42 CarbonylContact O-C 3.37Å; I16-W42 WeakPolarHBondContact O-CA 3.46Å; F39-W42 PolarHBondContact O-NE1 3.37Å; W42-Q61 CarbonylContact O-C 3.58Å; W42-Q61 WeakPolarHBondContact O-CA 3.38Å; W42-L62 HydrophobicContact CB-CB 4.19Å; W42-L62 PolarHBondContact N-O 2.83Å; W42-L62 PolarHBondContact O-N 3.21Å; W42-L64 HydrophobicContact CD2-CD1 4.5Å; W42-L64 HydrophobicContact CG-CD1 4.47Å; W42-L64 HydrophobicContact CZ2-CD1 4.43Å
43N88.2Confident76.1Confident53 Ų5375.1 Ų75.128%0.28338%0.379SS..EExtended strand (participates in β ladder)trans-100135.9174.7-67.3-89.8000108.5C15 I16 S18 Q61C15-N43 CarbonylContact C-O 3.55Å; C15-N43 WeakPolarHBondContact CA-O 3.4Å; I16-N43 PolarHBondContact N-O 2.91Å; I16-N43 PolarHBondContact O-N 3.13Å; S18-N43 WeakPolarHBondContact CB-ND2 3.38Å; N43-Q61 VanDerWaalsContact OD1-CG 3.3Å; N43-Q61 WeakPolarHBondContact OD1-CG 3.35Å; N43-Q61 PolarHBondContact OD1-NE2 3.11Å
44G87.5Confident77.8Confident3 Ų374.9 Ų74.93%0.03138%0.38CS..EExtended strand (participates in β ladder)trans-142.1164.7-179.200000115Y14 R59 F60Y14-G44 CarbonylContact O-C 3.45Å; Y14-G44 WeakPolarHBondContact O-CA 3.37Å; G44-R59 WeakPolarHBondContact O-CA 3.23Å; G44-F60 VanDerWaalsContact C-CE1 3.5Å; G44-F60 PolarHBondContact N-O 2.88Å; G44-F60 PolarHBondContact O-N 3.16Å
45L89.7Confident79.9Confident53 Ų5371.5 Ų71.528%0.27738%0.377SS..EExtended strand (participates in β ladder)trans-123.1130.8174.3-66.2174.4000109.2V13 Y14 F47 I57 F58 R59V13-L45 WeakPolarHBondContact CA-O 3.23Å; Y14-L45 PolarHBondContact N-O 2.96Å; Y14-L45 PolarHBondContact O-N 3.11Å; L45-F47 HydrophobicContact CB-CD2 4.38Å; L45-F47 HydrophobicContact CB-CE2 3.64Å; L45-F47 HydrophobicContact CB-CZ 4.17Å; L45-F47 HydrophobicContact CD1-CE2 4.39Å; L45-F47 HydrophobicContact CD1-CZ 4.2Å; L45-I57 HydrophobicContact CD2-CG2 4.32Å; L45-F58 CarbonylContact C-O 3.54Å; L45-F58 WeakPolarHBondContact CA-O 3.35Å; L45-R59 HydrophobicContact CD2-CB 3.87Å; L45-R59 HydrophobicContact CD2-CG 3.94Å
46L87.4Confident81.6Confident29 Ų2965.5 Ų65.515%0.15235%0.349CS..EExtended strand (participates in β ladder)trans-108.8116177.3-177.566.9000108.8L10 V13 V48 I57 F58 F60 F79L10-L46 HydrophobicContact CD1-CD1 3.73Å; L10-L46 HydrophobicContact CD2-CD1 3.41Å; L10-L46 VanDerWaalsContact CD2-CD1 3.41Å; L10-L46 HydrophobicContact CD2-CD2 4.22Å; L10-L46 HydrophobicContact CD2-CG 3.94Å; L10-L46 HydrophobicContact CG-CD1 4.11Å; V13-L46 HydrophobicContact CG2-CD1 3.59Å; L46-V48 HydrophobicContact CG-CG2 4.48Å; L46-I57 CarbonylContact O-C 3.57Å; L46-I57 WeakPolarHBondContact O-CA 3.19Å; L46-F58 HydrophobicContact CB-CB 4.25Å; L46-F58 HydrophobicContact CD2-CD2 4.39Å; L46-F58 PolarHBondContact N-O 3.07Å; L46-F58 PolarHBondContact O-N 3.04Å; L46-F60 HydrophobicContact CB-CD1 4.31Å; L46-F60 HydrophobicContact CB-CE1 4.37Å; L46-F79 HydrophobicContact CD2-CE1 4.12Å; L46-F79 HydrophobicContact CD2-CZ 4.11Å
47F88.8Confident83.3Confident56 Ų5662 Ų6225%0.24634%0.335CS..EExtended strand (participates in β ladder)trans-101.1121.9177.2-63-99.6000109.2Q11 S12 L45 I57Q11-F47 HydrophobicContact CB-CB 4.05Å; Q11-F47 WeakPolarHBondContact CB-O 3.3Å; Q11-F47 PolarHBondContact N-O 2.83Å; S12-F47 PolarHBondContact O-N 2.81Å; S12-F47 VanDerWaalsContact OG-CD2 3.25Å; S12-F47 WeakPolarHBondContact OG-CD2 3.45Å; L45-F47 HydrophobicContact CB-CD2 4.38Å; L45-F47 HydrophobicContact CB-CE2 3.64Å; L45-F47 HydrophobicContact CB-CZ 4.17Å; L45-F47 HydrophobicContact CD1-CE2 4.39Å; L45-F47 HydrophobicContact CD1-CZ 4.2Å; F47-I57 HydrophobicContact CD1-CB 4.44Å; F47-I57 HydrophobicContact CD1-CD1 3.97Å; F47-I57 HydrophobicContact CD1-CG1 3.7Å; F47-I57 HydrophobicContact CD1-CG2 4.09Å; F47-I57 HydrophobicContact CE1-CB 4.47Å; F47-I57 HydrophobicContact CE1-CD1 3.71Å; F47-I57 HydrophobicContact CE1-CG1 3.88Å; F47-I57 HydrophobicContact CE1-CG2 3.79Å; F47-I57 HydrophobicContact CZ-CG2 4.08Å
48V85.8Confident85.2Confident7 Ų760.9 Ų60.94%0.04232%0.324CS..EExtended strand (participates in β ladder)trans-99.5116.9-178.3-177.20000110.5L8 L10 L46 Y53 G55 G56 F58L8-V48 HydrophobicContact CD2-CG1 4.01Å; L10-V48 HydrophobicContact CD2-CG2 4.28Å; L46-V48 HydrophobicContact CG-CG2 4.48Å; V48-Y53 VanDerWaalsContact CB-O 3.29Å; V48-Y53 WeakPolarHBondContact CB-O 2.92Å; V48-Y53 WeakPolarHBondContact CG1-O 3.43Å; V48-G55 PolarHBondContact O-N 2.8Å; V48-G56 PolarHBondContact N-O 3.42Å; V48-F58 HydrophobicContact CG2-CD2 3.93Å; V48-F58 HydrophobicContact CG2-CE2 3.72Å
49G85.2Confident86.7Confident21 Ų2164.5 Ų64.522%0.21633%0.329CS..EExtended strand (participates in β ladder)trans-89.1-33.9-176.300000114.5K9 Q54K9-G49 WeakPolarHBondContact O-CA 3.37Å; K9-G49 PolarHBondContact O-N 2.84Å; G49-Q54 VanDerWaalsContact O-CG 3.3Å; G49-Q54 WeakPolarHBondContact O-CG 3.49Å
50R84.5Confident87.6Confident157 Ų15761.7 Ų61.759%0.59232%0.317SS*.EExtended strand (participates in β ladder)trans-145.5156.1179.3-62.8-173.9177.3-177.3-2.2111.8L8 K9L8-R50 WeakPolarHBondContact CA-O 3.42Å; K9-R50 HydrophobicContact CB-CB 3.99Å; K9-R50 HydrophobicContact CB-CG 4.42Å; K9-R50 PolarHBondContact N-O 3.48Å; K9-R50 VanDerWaalsContact N-O 3.13Å; K9-R50 PolarHBondContact O-N 2.81Å
51G84.5Confident87.9Confident15 Ų1562.4 Ų62.416%0.15532%0.319CS..SBendtrans105.1-169.8178.400000112.2Y53 Q54G51-Y53 PolarHBondContact O-N 2.83Å; G51-Y53 VanDerWaalsContact O-N 3.09Å; G51-Q54 VanDerWaalsContact O-CB 3.23Å; G51-Q54 WeakPolarHBondContact O-CB 3.3Å; G51-Q54 PolarHBondContact O-N 3.02Å
52P85Confident87.9Confident101 Ų10158.8 Ų58.866%0.65630%0.303SS*.THydrogen-bonded Turntrans-61-21.4-173.521.7-34.3000114.8L8L8-P52 HydrophobicContact CD2-CG 4.04Å
53Y86Confident88Confident62 Ų6257.4 Ų57.424%0.24330%0.304CS..THydrogen-bonded Turntrans-104.719.5176.5-50.4-76.5000112.9L8 V48 G51 G55 G56 F58 Y84 H85L8-Y53 HydrophobicContact CD1-CD2 4.02Å; L8-Y53 HydrophobicContact CD1-CE2 4.2Å; L8-Y53 HydrophobicContact CD2-CD2 3.71Å; V48-Y53 VanDerWaalsContact CB-O 3.29Å; V48-Y53 WeakPolarHBondContact CB-O 2.92Å; V48-Y53 WeakPolarHBondContact CG1-O 3.43Å; G51-Y53 PolarHBondContact O-N 2.83Å; G51-Y53 VanDerWaalsContact O-N 3.09Å; Y53-G55 PolarHBondContact O-N 2.74Å; Y53-G56 WeakPolarHBondContact O-CA 3.34Å; Y53-G56 PolarHBondContact O-N 3.11Å; Y53-F58 HydrophobicContact CD1-CZ 4.2Å; Y53-F58 HydrophobicContact CG-CE2 4.4Å; Y53-F58 HydrophobicContact CG-CZ 4.34Å; Y53-Y84 VanDerWaalsContact CE1-O 3.26Å; Y53-Y84 WeakPolarHBondContact CE1-O 2.85Å; Y53-Y84 PolarHBondContact OH-O 2.78Å; Y53-H85 AromaticContact CE2-CD2 3.56Å; Y53-H85 AromaticContact CZ-CD2 3.73Å; Y53-H85 PolarHBondContact OH-CD2 2.83Å
54Q86.5Confident88Confident132 Ų13256 Ų5662%0.61730%0.297SS*.THydrogen-bonded Turntrans-52.9133.6180172.8169.2-6.800111.8G49 G51 G56G49-Q54 VanDerWaalsContact O-CG 3.3Å; G49-Q54 WeakPolarHBondContact O-CG 3.49Å; G51-Q54 VanDerWaalsContact O-CB 3.23Å; G51-Q54 WeakPolarHBondContact O-CB 3.3Å; G51-Q54 PolarHBondContact O-N 3.02Å; Q54-G56 PolarHBondContact O-N 2.99Å
55G86.9Confident87.9Confident64 Ų6456.9 Ų56.966%0.6630%0.302SS*.THydrogen-bonded Turntrans81.7-5.5-174.900000113.8V48 Y53V48-G55 PolarHBondContact O-N 2.8Å; Y53-G55 PolarHBondContact O-N 2.74Å
56G88.1Confident87.6Confident16 Ų1658.2 Ų58.217%0.16532%0.32CS..  trans-69.7138.7175.100000112.5V48 Y53 Q54V48-G56 PolarHBondContact N-O 3.42Å; Y53-G56 WeakPolarHBondContact O-CA 3.34Å; Y53-G56 PolarHBondContact O-N 3.11Å; Q54-G56 PolarHBondContact O-N 2.99Å
57I90.8Very high87.3Confident98 Ų9862.4 Ų62.450%0.50334%0.342SS..EExtended strand (participates in β ladder)trans-121.5111.8171.2-54.3174.3000106.9L45 L46 F47L45-I57 HydrophobicContact CD2-CG2 4.32Å; L46-I57 CarbonylContact O-C 3.57Å; L46-I57 WeakPolarHBondContact O-CA 3.19Å; F47-I57 HydrophobicContact CD1-CB 4.44Å; F47-I57 HydrophobicContact CD1-CD1 3.97Å; F47-I57 HydrophobicContact CD1-CG1 3.7Å; F47-I57 HydrophobicContact CD1-CG2 4.09Å; F47-I57 HydrophobicContact CE1-CB 4.47Å; F47-I57 HydrophobicContact CE1-CD1 3.71Å; F47-I57 HydrophobicContact CE1-CG1 3.88Å; F47-I57 HydrophobicContact CE1-CG2 3.79Å; F47-I57 HydrophobicContact CZ-CG2 4.08Å
58F91.9Very high86.9Confident31 Ų3162.5 Ų62.514%0.13634%0.343CS..EExtended strand (participates in β ladder)trans-112.5130.2-174.9-54.9-64.5000111L45 L46 V48 Y53 F79 S81 V83L45-F58 CarbonylContact C-O 3.54Å; L45-F58 WeakPolarHBondContact CA-O 3.35Å; L46-F58 HydrophobicContact CB-CB 4.25Å; L46-F58 HydrophobicContact CD2-CD2 4.39Å; L46-F58 PolarHBondContact N-O 3.07Å; L46-F58 PolarHBondContact O-N 3.04Å; V48-F58 HydrophobicContact CG2-CD2 3.93Å; V48-F58 HydrophobicContact CG2-CE2 3.72Å; Y53-F58 HydrophobicContact CD1-CZ 4.2Å; Y53-F58 HydrophobicContact CG-CE2 4.4Å; Y53-F58 HydrophobicContact CG-CZ 4.34Å; F58-F79 HydrophobicContact CB-CD1 3.87Å; F58-F79 HydrophobicContact CB-CE1 3.75Å; F58-S81 WeakPolarHBondContact CA-OG 3.42Å; F58-V83 HydrophobicContact CB-CG2 4.22Å; F58-V83 HydrophobicContact CD1-CG2 3.46Å; F58-V83 VanDerWaalsContact CD1-CG2 3.46Å; F58-V83 HydrophobicContact CE1-CG2 3.98Å; F58-V83 HydrophobicContact CG-CG2 3.96Å
59R92.2Very high86.4Confident149 Ų14966.4 Ų66.456%0.56237%0.368SS*.EExtended strand (participates in β ladder)trans-92.5131.8176.7-167.2-176.3-59.3169.13.1109G44 L45 F79 T80 S81G44-R59 WeakPolarHBondContact O-CA 3.23Å; L45-R59 HydrophobicContact CD2-CB 3.87Å; L45-R59 HydrophobicContact CD2-CG 3.94Å; R59-F79 CarbonylContact O-C 3.59Å; R59-F79 WeakPolarHBondContact O-CA 3.43Å; R59-T80 WeakPolarHBondContact CB-OG1 3.5Å; R59-T80 WeakPolarHBondContact CD-OG1 3.39Å; R59-T80 VanDerWaalsContact CG-OG1 3.23Å; R59-T80 WeakPolarHBondContact CG-OG1 3.44Å; R59-T80 PolarHBondContact O-N 2.81Å; R59-T80 PolarHBondContact O-OG1 3.38Å; R59-S81 PolarHBondContact N-OG 2.83Å; R59-S81 PolarHBondContact O-N 2.75Å; R59-S81 PolarHBondContact O-OG 2.79Å
60F91.6Very high86.2Confident16 Ų1672.5 Ų72.57%0.0740%0.396CS..EExtended strand (participates in β ladder)trans-130.9159.7177.269.5-89.5000111.5V13 G44 L46 L62 L77 K78 F79V13-F60 HydrophobicContact CG1-CE1 3.88Å; V13-F60 HydrophobicContact CG1-CZ 3.79Å; G44-F60 VanDerWaalsContact C-CE1 3.5Å; G44-F60 PolarHBondContact N-O 2.88Å; G44-F60 PolarHBondContact O-N 3.16Å; L46-F60 HydrophobicContact CB-CD1 4.31Å; L46-F60 HydrophobicContact CB-CE1 4.37Å; F60-L62 HydrophobicContact CD2-CB 4.41Å; F60-L62 HydrophobicContact CE2-CB 4.3Å; F60-L77 HydrophobicContact CB-CD2 4.14Å; F60-L77 HydrophobicContact CD2-CD1 4.29Å; F60-L77 HydrophobicContact CD2-CG 4.21Å; F60-K78 CarbonylContact C-O 3.54Å; F60-K78 WeakPolarHBondContact CA-O 3.11Å; F60-K78 WeakPolarHBondContact CB-O 3.47Å; F60-F79 HydrophobicContact CB-CD1 3.82Å; F60-F79 HydrophobicContact CB-CE1 3.98Å; F60-F79 HydrophobicContact CB-CG 4.47Å
61Q90.7Very high86Confident68 Ų6867.5 Ų67.532%0.31838%0.383SS..EExtended strand (participates in β ladder)trans-120.9131.7171.7-73.1-177.6-42.500107.7W42 N43 L77 K78 T80W42-Q61 CarbonylContact O-C 3.58Å; W42-Q61 WeakPolarHBondContact O-CA 3.38Å; N43-Q61 VanDerWaalsContact OD1-CG 3.3Å; N43-Q61 WeakPolarHBondContact OD1-CG 3.35Å; N43-Q61 PolarHBondContact OD1-NE2 3.11Å; Q61-L77 WeakPolarHBondContact O-CA 3.4Å; Q61-K78 PolarHBondContact N-O 2.86Å; Q61-K78 PolarHBondContact O-N 3.32Å; Q61-T80 HydrophobicContact CB-CG2 4.41Å; Q61-T80 VanDerWaalsContact CD-CG2 3.49Å; Q61-T80 HydrophobicContact CG-CG2 3.67Å; Q61-T80 VanDerWaalsContact OE1-CG2 3.26Å
62L88.5Confident85.7Confident32 Ų3270.6 Ų70.617%0.16840%0.398CS..EExtended strand (participates in β ladder)trans-114.8117.2178.5174.168.8000108E41 W42 F60 L64 F75 N76 L77E41-L62 CarbonylContact C-O 3.55Å; E41-L62 WeakPolarHBondContact CA-O 3.4Å; W42-L62 HydrophobicContact CB-CB 4.19Å; W42-L62 PolarHBondContact N-O 2.83Å; W42-L62 PolarHBondContact O-N 3.21Å; F60-L62 HydrophobicContact CD2-CB 4.41Å; F60-L62 HydrophobicContact CE2-CB 4.3Å; L62-L64 HydrophobicContact CD1-CD2 4.44Å; L62-L64 HydrophobicContact CD2-CD2 3.91Å; L62-L64 HydrophobicContact CG-CD2 3.98Å; L62-L64 HydrophobicContact CG-CG 4.39Å; L62-F75 HydrophobicContact CD1-CB 4.11Å; L62-F75 HydrophobicContact CD1-CD2 3.32Å; L62-F75 HydrophobicContact CD1-CE2 3.91Å; L62-F75 HydrophobicContact CD1-CG 3.94Å; L62-N76 WeakPolarHBondContact CA-O 3.45Å; L62-L77 HydrophobicContact CD1-CB 4.41Å
63S88.6Confident85.5Confident42 Ų4271.4 Ų71.429%0.29439%0.389SS..EExtended strand (participates in β ladder)trans-102.8110.8175.7-59.20000109.1L40 F75 N76L40-S63 CarbonylContact O-C 3.56Å; L40-S63 WeakPolarHBondContact O-CA 3.26Å; S63-F75 WeakPolarHBondContact O-CA 2.77Å; S63-N76 PolarHBondContact N-O 3.32Å; S63-N76 PolarHBondContact O-N 2.9Å
64L86.8Confident85.4Confident24 Ų2473.8 Ų73.813%0.12641%0.412CS..  trans-85.2152.8178.9-60.6175.3000110.7L40 W42 L62 F68 F75L40-L64 HydrophobicContact CD2-CB 4.24Å; L40-L64 WeakPolarHBondContact O-CB 3.39Å; L40-L64 PolarHBondContact O-N 3.34Å; W42-L64 HydrophobicContact CD2-CD1 4.5Å; W42-L64 HydrophobicContact CG-CD1 4.47Å; W42-L64 HydrophobicContact CZ2-CD1 4.43Å; L62-L64 HydrophobicContact CD1-CD2 4.44Å; L62-L64 HydrophobicContact CD2-CD2 3.91Å; L62-L64 HydrophobicContact CG-CD2 3.98Å; L62-L64 HydrophobicContact CG-CG 4.39Å; L64-F68 HydrophobicContact CB-CB 4.3Å; L64-F68 HydrophobicContact CB-CD2 4.46Å; L64-F68 HydrophobicContact CB-CG 4.36Å; L64-F68 HydrophobicContact CD1-CD1 4.11Å; L64-F68 HydrophobicContact CD1-CD2 4.05Å; L64-F68 HydrophobicContact CD1-CE1 4.19Å; L64-F68 HydrophobicContact CD1-CE2 4.13Å; L64-F68 HydrophobicContact CD1-CG 4.05Å; L64-F68 HydrophobicContact CD1-CZ 4.19Å; L64-F68 HydrophobicContact CD2-CD2 4.35Å; L64-F68 HydrophobicContact CD2-CE2 4.48Å; L64-F75 HydrophobicContact CD2-CB 4.48Å
65P85.4Confident85.4Confident22 Ų2269.6 Ų69.614%0.14339%0.392CS..  trans-69.3150.217830-36.9000111.6L40 L67 F68 V71L40-P65 WeakPolarHBondContact CD2-O 3.37Å; P65-L67 PolarHBondContact O-N 2.96Å; P65-F68 HydrophobicContact CG-CB 4.48Å; P65-F68 WeakPolarHBondContact O-CB 3.15Å; P65-F68 PolarHBondContact O-N 2.81Å; P65-V71 HydrophobicContact CB-CG1 4.29Å; P65-V71 HydrophobicContact CG-CB 4.3Å; P65-V71 HydrophobicContact CG-CG1 4.03Å; P65-V71 WeakPolarHBondContact CG-O 3.31Å
66A83.4Confident85.5Confident80 Ų8069.5 Ų69.566%0.66138%0.377SS*.THydrogen-bonded Turntrans-58-24.2-17700000115.1L40 F68L40-A66 HydrophobicContact CD1-CB 4.22Å; A66-F68 VanDerWaalsContact C-N 3.33Å
67L82.6Confident85.6Confident117 Ų11770 Ų7061%0.61338%0.375SS*.THydrogen-bonded Turntrans-92.211.2177.7-60.4177.6000112.9P65 N70 V71P65-L67 PolarHBondContact O-N 2.96Å; L67-N70 WeakPolarHBondContact O-CA 3.43Å; L67-N70 VanDerWaalsContact O-CB 3.3Å; L67-N70 WeakPolarHBondContact O-CB 3.37Å; L67-N70 PolarHBondContact O-N 3.27Å; L67-V71 HydrophobicContact CB-CB 3.93Å; L67-V71 HydrophobicContact CB-CG2 3.71Å; L67-V71 HydrophobicContact CD1-CG2 4.08Å; L67-V71 PolarHBondContact O-N 2.77Å
68F80Confident85.6Confident59 Ų5969.1 Ų69.126%0.25937%0.368SS..THydrogen-bonded Turntrans-58135.9170.6-175.9-90.6000109.9V38 L40 L64 P65 A66 V71 T72V38-F68 HydrophobicContact CG1-CB 4.5Å; V38-F68 HydrophobicContact CG1-CD1 4.21Å; L40-F68 HydrophobicContact CD2-CB 4.11Å; L64-F68 HydrophobicContact CB-CB 4.3Å; L64-F68 HydrophobicContact CB-CD2 4.46Å; L64-F68 HydrophobicContact CB-CG 4.36Å; L64-F68 HydrophobicContact CD1-CD1 4.11Å; L64-F68 HydrophobicContact CD1-CD2 4.05Å; L64-F68 HydrophobicContact CD1-CE1 4.19Å; L64-F68 HydrophobicContact CD1-CE2 4.13Å; L64-F68 HydrophobicContact CD1-CG 4.05Å; L64-F68 HydrophobicContact CD1-CZ 4.19Å; L64-F68 HydrophobicContact CD2-CD2 4.35Å; L64-F68 HydrophobicContact CD2-CE2 4.48Å; P65-F68 HydrophobicContact CG-CB 4.48Å; P65-F68 WeakPolarHBondContact O-CB 3.15Å; P65-F68 PolarHBondContact O-N 2.81Å; A66-F68 VanDerWaalsContact C-N 3.33Å; F68-V71 WeakPolarHBondContact CA-O 3.42Å; F68-T72 HydrophobicContact CE2-CG2 4.46Å
69P74.6Confident85.6Confident88 Ų8869 Ų6957%0.57137%0.367SS*.THydrogen-bonded Turncis-89.5-3.78.235.5-36.3000115.3V71P69-V71 PolarHBondContact O-N 2.83Å
70N81.3Confident85.6Confident150 Ų15065 Ų6580%0.80236%0.36SS*.THydrogen-bonded Turntrans-63.7-33.3-177.9-62.2-21.1000112.1L67L67-N70 WeakPolarHBondContact O-CA 3.43Å; L67-N70 VanDerWaalsContact O-CB 3.3Å; L67-N70 WeakPolarHBondContact O-CB 3.37Å; L67-N70 PolarHBondContact O-N 3.27Å
71V81.4Confident85.5Confident52 Ų5265.9 Ų65.932%0.31537%0.367SS..  trans-117.6128173.4179.70000108.2P65 L67 F68 P69 Y73P65-V71 HydrophobicContact CB-CG1 4.29Å; P65-V71 HydrophobicContact CG-CB 4.3Å; P65-V71 HydrophobicContact CG-CG1 4.03Å; P65-V71 WeakPolarHBondContact CG-O 3.31Å; L67-V71 HydrophobicContact CB-CB 3.93Å; L67-V71 HydrophobicContact CB-CG2 3.71Å; L67-V71 HydrophobicContact CD1-CG2 4.08Å; L67-V71 PolarHBondContact O-N 2.77Å; F68-V71 WeakPolarHBondContact CA-O 3.42Å; P69-V71 PolarHBondContact O-N 2.83Å; V71-Y73 WeakPolarHBondContact CG1-O 3.49Å
72T77.4Confident85.3Confident79 Ų7967 Ų6749%0.48538%0.383SS..  trans-107.7-13.1178.657.40000113.5F68F68-T72 HydrophobicContact CE2-CG2 4.46Å
73Y81.9Confident85.2Confident119 Ų11965.9 Ų65.947%0.46738%0.378SS..  trans-136149.2177.4-77.6-91.3000111V71 F75V71-Y73 WeakPolarHBondContact CG1-O 3.49Å; Y73-F75 AromaticContact CD1-CD1 3.65Å; Y73-F75 HydrophobicContact CD1-CD1 3.65Å; Y73-F75 AromaticContact CD1-CE1 3.81Å; Y73-F75 HydrophobicContact CD1-CE1 3.81Å; Y73-F75 AromaticContact CE1-CD1 3.49Å; Y73-F75 HydrophobicContact CE1-CD1 3.49Å; Y73-F75 VanDerWaalsContact CE1-CD1 3.49Å; Y73-F75 AromaticContact CE1-CE1 3.11Å; Y73-F75 HydrophobicContact CE1-CE1 3.11Å; Y73-F75 HydrophobicContact CE1-CZ 4.05Å; Y73-F75 HydrophobicContact CE2-CD1 4.49Å; Y73-F75 HydrophobicContact CE2-CE1 4.21Å; Y73-F75 HydrophobicContact CG-CD1 4.26Å; Y73-F75 AromaticContact CZ-CD1 3.95Å; Y73-F75 AromaticContact CZ-CE1 3.36Å; Y73-F75 WeakPolarHBondContact OH-CE1 3.38Å
74P83.9Confident85.1Confident112 Ų11272 Ų7273%0.72740%0.395SS*.SBendcis-72.8145.4-2.631-34.7000111.3
75F86.4Confident85.1Confident43 Ų4373.8 Ų73.819%0.18940%0.403CS..  trans-116.3153.3164.168.1-102.4000108.5L62 S63 L64 Y73 L77 L100L62-F75 HydrophobicContact CD1-CB 4.11Å; L62-F75 HydrophobicContact CD1-CD2 3.32Å; L62-F75 HydrophobicContact CD1-CE2 3.91Å; L62-F75 HydrophobicContact CD1-CG 3.94Å; S63-F75 WeakPolarHBondContact O-CA 2.77Å; L64-F75 HydrophobicContact CD2-CB 4.48Å; Y73-F75 AromaticContact CD1-CD1 3.65Å; Y73-F75 HydrophobicContact CD1-CD1 3.65Å; Y73-F75 AromaticContact CD1-CE1 3.81Å; Y73-F75 HydrophobicContact CD1-CE1 3.81Å; Y73-F75 AromaticContact CE1-CD1 3.49Å; Y73-F75 HydrophobicContact CE1-CD1 3.49Å; Y73-F75 VanDerWaalsContact CE1-CD1 3.49Å; Y73-F75 AromaticContact CE1-CE1 3.11Å; Y73-F75 HydrophobicContact CE1-CE1 3.11Å; Y73-F75 HydrophobicContact CE1-CZ 4.05Å; Y73-F75 HydrophobicContact CE2-CD1 4.49Å; Y73-F75 HydrophobicContact CE2-CE1 4.21Å; Y73-F75 HydrophobicContact CG-CD1 4.26Å; Y73-F75 AromaticContact CZ-CD1 3.95Å; Y73-F75 AromaticContact CZ-CE1 3.36Å; Y73-F75 WeakPolarHBondContact OH-CE1 3.38Å; F75-L77 HydrophobicContact CD2-CB 4.4Å; F75-L77 HydrophobicContact CE2-CB 4.19Å; F75-L100 HydrophobicContact CD2-CD1 4.45Å; F75-L100 HydrophobicContact CE2-CB 4.28Å; F75-L100 HydrophobicContact CE2-CD1 3.71Å; F75-L100 HydrophobicContact CE2-CD2 4.38Å; F75-L100 HydrophobicContact CE2-CG 4.35Å; F75-L100 HydrophobicContact CZ-CB 4.04Å; F75-L100 HydrophobicContact CZ-CD1 4.31Å
76N87.9Confident85.1Confident63 Ų6379 Ų7934%0.33744%0.436SS..EExtended strand (participates in β ladder)trans-109130.6172.1171.9-89.5000108.8L62 S63 D94L62-N76 WeakPolarHBondContact CA-O 3.45Å; S63-N76 PolarHBondContact N-O 3.32Å; S63-N76 PolarHBondContact O-N 2.9Å; N76-D94 PolarHBondContact ND2-OD1 3.1Å; N76-D94 PolarHBondContact OD1-OD1 3.45Å
77L89.7Confident85.2Confident27 Ų2775.9 Ų75.914%0.14141%0.411CS..EExtended strand (participates in β ladder)trans-115.9124.8172.8-170155.4000107.8F60 Q61 L62 F75 F79 V95 L100F60-L77 HydrophobicContact CB-CD2 4.14Å; F60-L77 HydrophobicContact CD2-CD1 4.29Å; F60-L77 HydrophobicContact CD2-CG 4.21Å; Q61-L77 WeakPolarHBondContact O-CA 3.4Å; L62-L77 HydrophobicContact CD1-CB 4.41Å; F75-L77 HydrophobicContact CD2-CB 4.4Å; F75-L77 HydrophobicContact CE2-CB 4.19Å; L77-F79 HydrophobicContact CD2-CD2 4.19Å; L77-F79 HydrophobicContact CD2-CE2 3.88Å; L77-F79 HydrophobicContact CD2-CZ 4.14Å; L77-V95 HydrophobicContact CD2-CB 4.29Å; L77-V95 HydrophobicContact CD2-CG2 3.45Å; L77-V95 VanDerWaalsContact CD2-CG2 3.45Å; L77-V95 WeakPolarHBondContact O-CG2 3.13Å; L77-V95 PolarHBondContact O-N 3.41Å; L77-L100 HydrophobicContact CB-CD1 3.89Å; L77-L100 HydrophobicContact CD1-CD2 4.3Å
78K91.9Very high85.6Confident79 Ų7971 Ų7134%0.34339%0.386SS..EExtended strand (participates in β ladder)trans-126.7125.5-177-174.5-175.2-171.5-1790110.3F60 Q61 T92 G93F60-K78 CarbonylContact C-O 3.54Å; F60-K78 WeakPolarHBondContact CA-O 3.11Å; F60-K78 WeakPolarHBondContact CB-O 3.47Å; Q61-K78 PolarHBondContact N-O 2.86Å; Q61-K78 PolarHBondContact O-N 3.32Å; K78-T92 WeakPolarHBondContact CE-O 3.42Å; K78-G93 CarbonylContact C-O 3.56Å; K78-G93 WeakPolarHBondContact CA-O 3.2Å
79F92.4Very high86.1Confident28 Ų2871.9 Ų71.912%0.12339%0.394CS..EExtended strand (participates in β ladder)trans-77.6126.8169.4-73.5-76.9000110.2L46 F58 R59 F60 L77 V83 V88 G93 V95L46-F79 HydrophobicContact CD2-CE1 4.12Å; L46-F79 HydrophobicContact CD2-CZ 4.11Å; F58-F79 HydrophobicContact CB-CD1 3.87Å; F58-F79 HydrophobicContact CB-CE1 3.75Å; R59-F79 CarbonylContact O-C 3.59Å; R59-F79 WeakPolarHBondContact O-CA 3.43Å; F60-F79 HydrophobicContact CB-CD1 3.82Å; F60-F79 HydrophobicContact CB-CE1 3.98Å; F60-F79 HydrophobicContact CB-CG 4.47Å; L77-F79 HydrophobicContact CD2-CD2 4.19Å; L77-F79 HydrophobicContact CD2-CE2 3.88Å; L77-F79 HydrophobicContact CD2-CZ 4.14Å; F79-V83 HydrophobicContact CB-CB 4.45Å; F79-V83 HydrophobicContact CB-CG2 3.87Å; F79-V83 HydrophobicContact CD1-CG2 3.92Å; F79-V83 HydrophobicContact CD2-CG2 4.42Å; F79-V83 HydrophobicContact CG-CB 4.47Å; F79-V83 HydrophobicContact CG-CG2 3.82Å; F79-V88 HydrophobicContact CD2-CG1 4.05Å; F79-V88 HydrophobicContact CD2-CG2 3.88Å; F79-V88 HydrophobicContact CE2-CG2 4Å; F79-G93 PolarHBondContact N-O 3.4Å; F79-V95 HydrophobicContact CD2-CG2 3.56Å; F79-V95 HydrophobicContact CE2-CG2 3.51Å
80T90.6Very high86.7Confident66 Ų6671.8 Ų71.841%0.40539%0.386SS..SBendtrans-92.6-1917451.60000112R59 Q61R59-T80 WeakPolarHBondContact CB-OG1 3.5Å; R59-T80 WeakPolarHBondContact CD-OG1 3.39Å; R59-T80 VanDerWaalsContact CG-OG1 3.23Å; R59-T80 WeakPolarHBondContact CG-OG1 3.44Å; R59-T80 PolarHBondContact O-N 2.81Å; R59-T80 PolarHBondContact O-OG1 3.38Å; Q61-T80 HydrophobicContact CB-CG2 4.41Å; Q61-T80 VanDerWaalsContact CD-CG2 3.49Å; Q61-T80 HydrophobicContact CG-CG2 3.67Å; Q61-T80 VanDerWaalsContact OE1-CG2 3.26Å
81S89.2Confident87Confident33 Ų3372.5 Ų72.523%0.23139%0.388CS..SBendtrans-79.8150.2165.351.40000110.8F58 R59 V83F58-S81 WeakPolarHBondContact CA-OG 3.42Å; R59-S81 PolarHBondContact N-OG 2.83Å; R59-S81 PolarHBondContact O-N 2.75Å; R59-S81 PolarHBondContact O-OG 2.79Å; S81-V83 PolarHBondContact O-N 2.66Å; S81-V83 VanDerWaalsContact O-N 3.11Å
82S86.6Confident87.4Confident91 Ų9172.9 Ų72.964%0.63639%0.391SS*.  trans-65.7110.7170.1-1720000109.8
83V87.3Confident88Confident10 Ų1069.6 Ų69.66%0.06137%0.373CS..  trans-118.4126.2179.6177.50000108.1F58 F79 S81 H85 V88 Q90F58-V83 HydrophobicContact CB-CG2 4.22Å; F58-V83 HydrophobicContact CD1-CG2 3.46Å; F58-V83 VanDerWaalsContact CD1-CG2 3.46Å; F58-V83 HydrophobicContact CE1-CG2 3.98Å; F58-V83 HydrophobicContact CG-CG2 3.96Å; F79-V83 HydrophobicContact CB-CB 4.45Å; F79-V83 HydrophobicContact CB-CG2 3.87Å; F79-V83 HydrophobicContact CD1-CG2 3.92Å; F79-V83 HydrophobicContact CD2-CG2 4.42Å; F79-V83 HydrophobicContact CG-CB 4.47Å; F79-V83 HydrophobicContact CG-CG2 3.82Å; S81-V83 PolarHBondContact O-N 2.66Å; S81-V83 VanDerWaalsContact O-N 3.11Å; V83-H85 HydrophobicContact CG1-CB 3.82Å; V83-V88 HydrophobicContact CG1-CG2 4.38Å; V83-Q90 PolarHBondContact O-NE2 3.45Å; V83-Q90 PolarHBondContact O-OE1 3.06Å
84Y87.4Confident88.4Confident169 Ų16966.3 Ų66.366%0.66336%0.363SS*.  trans-96.691.5170.9-65.4-80.3000109Y53 Q90Y53-Y84 VanDerWaalsContact CE1-O 3.26Å; Y53-Y84 WeakPolarHBondContact CE1-O 2.85Å; Y53-Y84 PolarHBondContact OH-O 2.78Å; Y84-Q90 HydrophobicContact CD1-CG 4.46Å; Y84-Q90 VanDerWaalsContact CD1-OE1 3.26Å; Y84-Q90 HydrophobicContact CE1-CG 4.34Å
85H84.9Confident88.6Confident63 Ų6361.9 Ų61.929%0.29233%0.334SS..  trans-140.8136.9178.9-176.5-81.8000110.4Y53 V83 A87 V88Y53-H85 AromaticContact CE2-CD2 3.56Å; Y53-H85 AromaticContact CZ-CD2 3.73Å; Y53-H85 PolarHBondContact OH-CD2 2.83Å; V83-H85 HydrophobicContact CG1-CB 3.82Å; H85-A87 WeakPolarHBondContact ND1-CB 3.28Å; H85-A87 PolarHBondContact ND1-N 2.85Å; H85-A87 VanDerWaalsContact ND1-N 3.11Å; H85-A87 PolarHBondContact O-N 2.83Å; H85-V88 HydrophobicContact CB-CB 4.31Å; H85-V88 HydrophobicContact CB-CG2 3.82Å; H85-V88 PolarHBondContact O-N 2.95Å
86P86.1Confident88.4Confident130 Ų13063.9 Ų63.984%0.84435%0.346SS*.THydrogen-bonded Turntrans-57.5-26.9-174.1-27.535000115.7
87A86.8Confident87.6Confident16 Ų1663.6 Ų63.613%0.13235%0.353CS..THydrogen-bonded Turntrans-88.92.8177.900000114.5H85 V95 D96 V99H85-A87 WeakPolarHBondContact ND1-CB 3.28Å; H85-A87 PolarHBondContact ND1-N 2.85Å; H85-A87 VanDerWaalsContact ND1-N 3.11Å; H85-A87 PolarHBondContact O-N 2.83Å; A87-V95 WeakPolarHBondContact O-CA 2.92Å; A87-D96 PolarHBondContact O-N 2.75Å; A87-V99 HydrophobicContact CB-CB 4.19Å; A87-V99 HydrophobicContact CB-CG1 4.04Å; A87-V99 HydrophobicContact CB-CG2 3.8Å
88V89.1Confident86.6Confident13 Ų1367.2 Ų67.28%0.07937%0.373CS..BIsolated β-bridgetrans-117125-177.9-174.70000107.8F79 V83 H85 Q90 D94 V95F79-V88 HydrophobicContact CD2-CG1 4.05Å; F79-V88 HydrophobicContact CD2-CG2 3.88Å; F79-V88 HydrophobicContact CE2-CG2 4Å; V83-V88 HydrophobicContact CG1-CG2 4.38Å; H85-V88 HydrophobicContact CB-CB 4.31Å; H85-V88 HydrophobicContact CB-CG2 3.82Å; H85-V88 PolarHBondContact O-N 2.95Å; V88-Q90 PolarHBondContact O-N 3.1Å; V88-D94 WeakPolarHBondContact CA-O 3.24Å; V88-V95 HydrophobicContact CG2-CG2 4.04Å
89D90.8Very high85.5Confident79 Ų7966.6 Ų66.642%0.42238%0.375SS..  trans-64.5124.6171.9-173.7-56.9000109L91 T92 G93 D94D89-L91 VanDerWaalsContact C-N 3.27Å; D89-L91 PolarHBondContact O-N 3Å; D89-L91 WeakPolarHBondContact OD1-CA 3.48Å; D89-L91 WeakPolarHBondContact OD1-CB 3.45Å; D89-L91 PolarHBondContact OD1-N 2.92Å; D89-T92 WeakPolarHBondContact CB-OG1 3.31Å; D89-T92 PolarHBondContact OD1-N 2.76Å; D89-G93 WeakPolarHBondContact O-CA 3.38Å; D89-G93 PolarHBondContact O-N 3.25Å; D89-D94 PolarHBondContact N-O 3.24Å
90Q87.2Confident84.1Confident86 Ų8666.2 Ų66.240%0.40237%0.374SS..THydrogen-bonded Turntrans-71.7-23.4-174.5-157.865.856.600113.2V83 Y84 V88V83-Q90 PolarHBondContact O-NE2 3.45Å; V83-Q90 PolarHBondContact O-OE1 3.06Å; Y84-Q90 HydrophobicContact CD1-CG 4.46Å; Y84-Q90 VanDerWaalsContact CD1-OE1 3.26Å; Y84-Q90 HydrophobicContact CE1-CG 4.34Å; V88-Q90 PolarHBondContact O-N 3.1Å
91L88.6Confident82.7Confident165 Ų16569.5 Ų69.586%0.86438%0.383SS*.THydrogen-bonded Turntrans-88.8-46.6-179.1-61.8177.7000110.9D89D89-L91 VanDerWaalsContact C-N 3.27Å; D89-L91 PolarHBondContact O-N 3Å; D89-L91 WeakPolarHBondContact OD1-CA 3.48Å; D89-L91 WeakPolarHBondContact OD1-CB 3.45Å; D89-L91 PolarHBondContact OD1-N 2.92Å
92T88.9Confident81.2Confident59 Ų5975.3 Ų75.336%0.36240%0.404SS..THydrogen-bonded Turntrans-90.2-30.4-178.674.40000112.5K78 D89 D94K78-T92 WeakPolarHBondContact CE-O 3.42Å; D89-T92 WeakPolarHBondContact CB-OG1 3.31Å; D89-T92 PolarHBondContact OD1-N 2.76Å; T92-D94 VanDerWaalsContact CB-OD2 3.24Å; T92-D94 WeakPolarHBondContact CB-OD2 3.14Å; T92-D94 VanDerWaalsContact OG1-CB 3.28Å; T92-D94 WeakPolarHBondContact OG1-CB 3.37Å; T92-D94 VanDerWaalsContact OG1-CG 3.3Å; T92-D94 PolarHBondContact OG1-N 3.16Å; T92-D94 VanDerWaalsContact OG1-N 3.07Å; T92-D94 PolarHBondContact OG1-OD2 3.24Å
93G89.8Confident79.4Confident10 Ų1074.3 Ų74.310%0.10340%0.397CS..  trans802.7-168.900000113.3K78 F79 D89K78-G93 CarbonylContact C-O 3.56Å; K78-G93 WeakPolarHBondContact CA-O 3.2Å; F79-G93 PolarHBondContact N-O 3.4Å; D89-G93 WeakPolarHBondContact O-CA 3.38Å; D89-G93 PolarHBondContact O-N 3.25Å
94D90.7Very high77.7Confident51 Ų5178.7 Ų78.727%0.27343%0.428SS..BIsolated β-bridgetrans-67.7138.7178.2-71.3-53.8000110.8N76 V88 D89 T92N76-D94 PolarHBondContact ND2-OD1 3.1Å; N76-D94 PolarHBondContact OD1-OD1 3.45Å; V88-D94 WeakPolarHBondContact CA-O 3.24Å; D89-D94 PolarHBondContact N-O 3.24Å; T92-D94 VanDerWaalsContact CB-OD2 3.24Å; T92-D94 WeakPolarHBondContact CB-OD2 3.14Å; T92-D94 VanDerWaalsContact OG1-CB 3.28Å; T92-D94 WeakPolarHBondContact OG1-CB 3.37Å; T92-D94 VanDerWaalsContact OG1-CG 3.3Å; T92-D94 PolarHBondContact OG1-N 3.16Å; T92-D94 VanDerWaalsContact OG1-N 3.07Å; T92-D94 PolarHBondContact OG1-OD2 3.24Å
95V88.4Confident75.9Confident18 Ų1877.7 Ų77.711%0.10943%0.429CS..BIsolated β-bridgetrans-93.3134.3173.9-173.20000109.3L77 F79 A87 V88 A97 L100L77-V95 HydrophobicContact CD2-CB 4.29Å; L77-V95 HydrophobicContact CD2-CG2 3.45Å; L77-V95 VanDerWaalsContact CD2-CG2 3.45Å; L77-V95 WeakPolarHBondContact O-CG2 3.13Å; L77-V95 PolarHBondContact O-N 3.41Å; F79-V95 HydrophobicContact CD2-CG2 3.56Å; F79-V95 HydrophobicContact CE2-CG2 3.51Å; A87-V95 WeakPolarHBondContact O-CA 2.92Å; V88-V95 HydrophobicContact CG2-CG2 4.04Å; V95-A97 PolarHBondContact O-N 3.26Å; V95-L100 HydrophobicContact CB-CD1 4.05Å; V95-L100 HydrophobicContact CB-CG 4.38Å; V95-L100 HydrophobicContact CG1-CD1 4.08Å; V95-L100 HydrophobicContact CG1-CD2 3.95Å; V95-L100 HydrophobicContact CG1-CG 3.86Å
96D81.8Confident74.2Confident85 Ų8581.5 Ų81.546%0.45545%0.451SS..PPolyproline II helixtrans-57.3124.8176.7-175.611.4000111.1A87 D98 V99 L100A87-D96 PolarHBondContact O-N 2.75Å; D96-D98 PolarHBondContact O-N 3.23Å; D96-D98 PolarHBondContact OD1-N 3.29Å; D96-V99 HydrophobicContact CB-CG2 4.18Å; D96-V99 PolarHBondContact O-N 2.76Å; D96-V99 VanDerWaalsContact O-N 3.1Å; D96-L100 PolarHBondContact O-N 3.33Å
97A70.7Confident72.1Confident57 Ų5782.3 Ų82.347%0.47145%0.448SS..Hα-helixtrans-61.9-29.3-176.900000111.9V95 V99 L100 K101V95-A97 PolarHBondContact O-N 3.26Å; A97-V99 VanDerWaalsContact C-N 3.3Å; A97-V99 PolarHBondContact O-N 2.8Å; A97-L100 PolarHBondContact O-N 2.91Å; A97-K101 PolarHBondContact O-N 3.3Å
98D70.5Confident69.8Low104 Ų10485 Ų8556%0.55647%0.47SS*.Hα-helixtrans-69.2-29.3178.3-76.9-21.1000112.6D96 K101D96-D98 PolarHBondContact O-N 3.23Å; D96-D98 PolarHBondContact OD1-N 3.29Å; D98-K101 WeakPolarHBondContact OD1-CE 3.39Å; D98-K101 IonicContact OD1-NZ 2.68Å; D98-K101 PolarHBondContact OD1-NZ 3.03Å
99V68.5Low67.5Low65 Ų6594.2 Ų94.239%0.39451%0.509SS..Hα-helixtrans-76.8-30.9174.7-1790000111.3A87 D96 A97 K101 F102A87-V99 HydrophobicContact CB-CB 4.19Å; A87-V99 HydrophobicContact CB-CG1 4.04Å; A87-V99 HydrophobicContact CB-CG2 3.8Å; D96-V99 HydrophobicContact CB-CG2 4.18Å; D96-V99 PolarHBondContact O-N 2.76Å; D96-V99 VanDerWaalsContact O-N 3.1Å; A97-V99 VanDerWaalsContact C-N 3.3Å; A97-V99 PolarHBondContact O-N 2.8Å; V99-K101 PolarHBondContact O-N 3.05Å; V99-F102 WeakPolarHBondContact O-CE2 3.4Å
100L63.4Low65.2Low20 Ų20104.8 Ų104.811%0.10554%0.543CS..Hα-helixtrans-76.2-9.9177.7-65.9170.4000113.6F75 L77 V95 D96 A97 F102F75-L100 HydrophobicContact CD2-CD1 4.45Å; F75-L100 HydrophobicContact CE2-CB 4.28Å; F75-L100 HydrophobicContact CE2-CD1 3.71Å; F75-L100 HydrophobicContact CE2-CD2 4.38Å; F75-L100 HydrophobicContact CE2-CG 4.35Å; F75-L100 HydrophobicContact CZ-CB 4.04Å; F75-L100 HydrophobicContact CZ-CD1 4.31Å; L77-L100 HydrophobicContact CB-CD1 3.89Å; L77-L100 HydrophobicContact CD1-CD2 4.3Å; V95-L100 HydrophobicContact CB-CD1 4.05Å; V95-L100 HydrophobicContact CB-CG 4.38Å; V95-L100 HydrophobicContact CG1-CD1 4.08Å; V95-L100 HydrophobicContact CG1-CD2 3.95Å; V95-L100 HydrophobicContact CG1-CG 3.86Å; D96-L100 PolarHBondContact O-N 3.33Å; A97-L100 PolarHBondContact O-N 2.91Å; L100-F102 HydrophobicContact CD2-CE2 4.48Å; L100-F102 PolarHBondContact O-N 2.73Å
101K60.7Low64.1Low135 Ų135105.8 Ų105.859%0.58755%0.551SS**  trans-70.763.6168.3-67.1172.7-174.4167.50109.9A97 D98 V99 S103A97-K101 PolarHBondContact O-N 3.3Å; D98-K101 WeakPolarHBondContact OD1-CE 3.39Å; D98-K101 IonicContact OD1-NZ 2.68Å; D98-K101 PolarHBondContact OD1-NZ 3.03Å; V99-K101 PolarHBondContact O-N 3.05Å; K101-S103 PolarHBondContact O-N 2.98Å
102F57.3Low62.8Low156 Ų156102.6 Ų102.668%0.68453%0.534SS*.  trans-69.290.4166.9-68.5-73.1000107.4V99 L100V99-F102 WeakPolarHBondContact O-CE2 3.4Å; L100-F102 HydrophobicContact CD2-CE2 4.48Å; L100-F102 PolarHBondContact O-N 2.73Å
103S48.1Very low61.4Low69 Ų69105.1 Ų105.148%0.48354%0.544SS..  trans-5.7125.9162.9-176.60000114.9K101 H105K101-S103 PolarHBondContact O-N 2.98Å; S103-H105 PolarHBondContact O-N 3.46Å; S103-H105 PolarHBondContact OG-CD2 3.3Å; S103-H105 VanDerWaalsContact OG-CD2 3.23Å
104S52.3Low59.7Low102 Ų102110.6 Ų110.671%0.71357%0.57SS**G310 helixtrans-52.711.7173.147.10000116.5I106 N107S104-I106 PolarHBondContact O-N 3.34Å; S104-N107 PolarHBondContact O-N 2.88Å
105H49.7Very low57.8Low148 Ų148114.4 Ų114.469%0.68559%0.588SS**G310 helixtrans-73-2.2174.3-81.1-61.5000114.7S103 N107 A108S103-H105 PolarHBondContact O-N 3.46Å; S103-H105 PolarHBondContact OG-CD2 3.3Å; S103-H105 VanDerWaalsContact OG-CD2 3.23Å; H105-N107 PolarHBondContact O-N 3.02Å; H105-A108 VanDerWaalsContact O-CB 3.31Å; H105-A108 WeakPolarHBondContact O-CB 3.3Å; H105-A108 PolarHBondContact O-N 2.68Å; H105-A108 VanDerWaalsContact O-N 3.1Å
106I48.5Very low55.7Low144 Ų144120.8 Ų120.874%0.73862%0.62SS**G310 helixtrans-69-13.3171.4-62.1-179.4000112.2S104 A108S104-I106 PolarHBondContact O-N 3.34Å; I106-A108 PolarHBondContact O-N 2.84Å; I106-A108 VanDerWaalsContact O-N 3.16Å
107N41.7Very low53.9Low147 Ų147123.4 Ų123.479%0.78663%0.632SS**G310 helixtrans-735.1168.1-73.8-16.2000114.3S104 H105 F109S104-N107 PolarHBondContact O-N 2.88Å; H105-N107 PolarHBondContact O-N 3.02Å; N107-F109 VanDerWaalsContact C-N 3.28Å; N107-F109 PolarHBondContact O-N 3.04Å
108A38.2Very low52.6Low73 Ų73128.5 Ų128.560%0.60364%0.644SS**G310 helixtrans-82.98.717700000115H105 I106H105-A108 VanDerWaalsContact O-CB 3.31Å; H105-A108 WeakPolarHBondContact O-CB 3.3Å; H105-A108 PolarHBondContact O-N 2.68Å; H105-A108 VanDerWaalsContact O-N 3.1Å; I106-A108 PolarHBondContact O-N 2.84Å; I106-A108 VanDerWaalsContact O-N 3.16Å
109F41.4Very low51.1Low206 Ų206130.5 Ų130.590%0.90465%0.652SS**G310 helixtrans-121.941.8175.4-77.1-76.4000113.5N107N107-F109 VanDerWaalsContact C-N 3.28Å; N107-F109 PolarHBondContact O-N 3.04Å
110R43.1Very low49.5Very low301 Ų301136.5 Ų136.5100%1.13668%0.675SS**  trans-1270156.2-163.2177.7-167.8-176.83.8110.8

Retrieved 110 of 110 residues in 193 ms (Link to these results)