G4VHB7_SCHMA Loading...

CCHC-type domain-containing protein

AlphaFold DB , UniProt , Accession G4VHB7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 132 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
1M53Low54.7Low226 Ų226160.9 Ų160.9100%1.11381%0.812SS**  0880-64.5-53.3161.700107.5S3M1-S3 PolarHBondContact O-N 2.7Å; M1-S3 VanDerWaalsContact O-N 3.13Å
2D53.3Low54.8Low159 Ų159164.5 Ų164.585%0.8582%0.819SS**  trans-59.9107.6-177.7-59.1-89.5000110.7K4D2-K4 PolarHBondContact O-N 3Å
3S61.9Low55.2Low120 Ų120166.7 Ų166.784%0.83981%0.812SS**  trans-69.685.3168.6-710000108.5M1M1-S3 PolarHBondContact O-N 2.7Å; M1-S3 VanDerWaalsContact O-N 3.13Å
4K49.3Very low56.4Low187 Ų187163.6 Ų163.681%0.81381%0.807SS**  trans-47.2123174.8-142.3165.7-174.2165.40109.5D2 R6D2-K4 PolarHBondContact O-N 3Å; K4-R6 PolarHBondContact O-N 2.82Å
5P55.7Low57.8Low110 Ų110153.9 Ų153.971%0.71477%0.765SS**  trans-61.6128.9176.324.5-31.2000108.1E7P5-E7 PolarHBondContact O-N 3.33Å
6R59.9Low59.2Low245 Ų245144.4 Ų144.493%0.92572%0.718SS**  trans-60.9104.1179.3-80.9177.4169-109.30.8108.7K4 S8K4-R6 PolarHBondContact O-N 2.82Å; R6-S8 PolarHBondContact O-N 2.86Å
7E51.7Low60.2Low164 Ų164147.6 Ų147.677%0.76673%0.727SS**  trans-43.7127.5168.2-152.376-135.500109.7P5 R9P5-E7 PolarHBondContact O-N 3.33Å; E7-R9 VanDerWaalsContact C-N 3.31Å; E7-R9 PolarHBondContact O-N 3.28Å
8S54.6Low61Low100 Ų100143.6 Ų143.670%0.69971%0.705SS**  trans-52.982.117539.70000111.9R6 T10R6-S8 PolarHBondContact O-N 2.86Å; S8-T10 PolarHBondContact O-N 2.85Å
9R54.5Low62.1Low222 Ų222137.7 Ų137.784%0.83868%0.679SS**  trans-65.3106.9163.1-67.9-88.5-170.2155.12.8107.5E7 N11E7-R9 VanDerWaalsContact C-N 3.31Å; E7-R9 PolarHBondContact O-N 3.28Å; R9-N11 PolarHBondContact O-N 3.13Å
10T54.6Low63.1Low132 Ų132133.5 Ų133.581%0.8167%0.673SS**  trans-45.369.5169.854.20000112.9S8S8-T10 PolarHBondContact O-N 2.85Å
11N52.8Low64Low105 Ų105133.9 Ų133.956%0.56167%0.67SS**  trans-93.1110.3161.7-66.8-41.7000104.4R9 R13R9-N11 PolarHBondContact O-N 3.13Å; N11-R13 HydrophobicContact CB-CG 3.77Å; N11-R13 PolarHBondContact O-N 2.76Å
12F56Low65.5Low204 Ų204128.4 Ų128.490%0.89565%0.649SS**  trans-51.370.9157.9-98.4-100.3000108.7V14F12-V14 PolarHBondContact O-N 2.98Å
13R61.1Low67.2Low193 Ų193124.5 Ų124.573%0.72865%0.647SS**  trans-75.799.4179-72.9-163.7170-111.3-3.3105N11 G15N11-R13 HydrophobicContact CB-CG 3.77Å; N11-R13 PolarHBondContact O-N 2.76Å; R13-G15 PolarHBondContact O-N 2.62Å
14V71.5Confident68.4Low124 Ų124121.2 Ų121.275%0.75262%0.618SS**  trans-68.456.8171.6-168.60000108.9F12 T22F12-V14 PolarHBondContact O-N 2.98Å; V14-T22 WeakPolarHBondContact O-CA 3.48Å; V14-T22 WeakPolarHBondContact O-CB 3.28Å; V14-T22 WeakPolarHBondContact O-CG2 3.5Å
15G77.4Confident69.9Low17 Ų17118 Ų11818%0.17561%0.609CS.*BIsolated β-bridgetrans-159.7160.1-172.900000111.5R13 K17 F21R13-G15 PolarHBondContact O-N 2.62Å; G15-K17 PolarHBondContact O-N 3.17Å; G15-F21 CarbonylContact C-O 3.52Å; G15-F21 VanDerWaalsContact CA-O 3.26Å; G15-F21 WeakPolarHBondContact CA-O 3.45Å
16C79.8Confident71Confident2 Ų2114.3 Ų114.31%0.01459%0.585CS.*  trans-60.6119.1-176.51750000110.2K18 C19 G20 F21 H24 C29C16-K18 PolarHBondContact O-N 3.13Å; C16-K18 PolarHBondContact SG-N 2.85Å; C16-K18 VanDerWaalsContact SG-N 3.4Å; C16-C19 VanDerWaalsContact CB-SG 3.51Å; C16-G20 VanDerWaalsContact O-CA 3.29Å; C16-G20 WeakPolarHBondContact O-CA 3.46Å; C16-G20 PolarHBondContact O-N 3.39Å; C16-F21 PolarHBondContact N-O 3.24Å; C16-H24 WeakPolarHBondContact CA-O 3.29Å; C16-H24 VanDerWaalsContact CB-NE2 3.28Å; C16-H24 WeakPolarHBondContact CB-NE2 3.26Å; C16-H24 WeakPolarHBondContact CB-O 3.38Å; C16-H24 PolarHBondContact N-O 3.02Å; C16-H24 VanDerWaalsContact N-O 3.13Å; C16-C29 WeakPolarHBondContact SG-CB 3.09Å
17K76.8Confident71.7Confident200 Ų200111 Ų11187%0.8758%0.577SS**THydrogen-bonded Turntrans-60-15.4176.4-60.5-172.6177.2-168.20113.9G15 T26G15-K17 PolarHBondContact O-N 3.17Å; K17-T26 HydrophobicContact CB-CG2 3.67Å; K17-T26 HydrophobicContact CG-CG2 4.1Å
18K74.4Confident73.1Confident75 Ų75109.3 Ų109.333%0.32657%0.569SS.*THydrogen-bonded Turntrans-92.5-43.7-176.2-59.2-169.3-64.3-135.10113.3C16 T26 Y32C16-K18 PolarHBondContact O-N 3.13Å; C16-K18 PolarHBondContact SG-N 2.85Å; C16-K18 VanDerWaalsContact SG-N 3.4Å; K18-T26 WeakPolarHBondContact CE-O 3.43Å; K18-T26 HydrophobicContact CG-CG2 4.09Å; K18-T26 PolarHBondContact NZ-O 2.75Å; K18-Y32 HydrophobicContact CD-CD2 3.22Å; K18-Y32 HydrophobicContact CD-CE2 3.49Å; K18-Y32 VanDerWaalsContact CD-CE2 3.49Å; K18-Y32 HydrophobicContact CD-CG 4.16Å
19C81.9Confident74.3Confident32 Ų32104.9 Ų104.922%0.21654%0.539CS..THydrogen-bonded Turntrans-110.1-4.5179.968.10000114C16 F21 H24 N31C16-C19 VanDerWaalsContact CB-SG 3.51Å; C19-F21 HydrophobicContact CB-CD2 4.04Å; C19-F21 WeakPolarHBondContact O-CD2 3.44Å; C19-F21 PolarHBondContact O-N 3.4Å; C19-F21 VanDerWaalsContact O-N 3.1Å; C19-H24 PolarHBondContact SG-CE1 2.82Å; C19-H24 PolarHBondContact SG-NE2 3.24Å; C19-N31 HydrophobicContact CB-CB 4.42Å
20G81.7Confident75.4Confident53 Ų53105 Ų10555%0.54654%0.539SS..  trans73.8-7.5178.800000115.3C16C16-G20 VanDerWaalsContact O-CA 3.29Å; C16-G20 WeakPolarHBondContact O-CA 3.46Å; C16-G20 PolarHBondContact O-N 3.39Å
21F82.8Confident76.2Confident141 Ų141103.6 Ų103.662%0.61853%0.527SS*.  trans-75.7136.7178.5-74.4-80.3000111.8G15 C16 C19G15-F21 CarbonylContact C-O 3.52Å; G15-F21 VanDerWaalsContact CA-O 3.26Å; G15-F21 WeakPolarHBondContact CA-O 3.45Å; C16-F21 PolarHBondContact N-O 3.24Å; C19-F21 HydrophobicContact CB-CD2 4.04Å; C19-F21 WeakPolarHBondContact O-CD2 3.44Å; C19-F21 PolarHBondContact O-N 3.4Å; C19-F21 VanDerWaalsContact O-N 3.1Å
22T84.1Confident77.1Confident111 Ų111102.1 Ų102.168%0.68151%0.514SS*.BIsolated β-bridgetrans-75.3155.4172.654.40000110.8V14V14-T22 WeakPolarHBondContact O-CA 3.48Å; V14-T22 WeakPolarHBondContact O-CB 3.28Å; V14-T22 WeakPolarHBondContact O-CG2 3.5Å
23G88.5Confident77.6Confident77 Ų7796.6 Ų96.679%0.79449%0.493SS*.THydrogen-bonded Turntrans95.70.2175.900000116.7
24H86.5Confident77.5Confident52 Ų5296.1 Ų96.124%0.24149%0.491CS..SBendtrans-147152.6168.165.8-79.8000112.2C16 C19 Q28 C29C16-H24 WeakPolarHBondContact CA-O 3.29Å; C16-H24 VanDerWaalsContact CB-NE2 3.28Å; C16-H24 WeakPolarHBondContact CB-NE2 3.26Å; C16-H24 WeakPolarHBondContact CB-O 3.38Å; C16-H24 PolarHBondContact N-O 3.02Å; C16-H24 VanDerWaalsContact N-O 3.13Å; C19-H24 PolarHBondContact SG-CE1 2.82Å; C19-H24 PolarHBondContact SG-NE2 3.24Å; H24-Q28 HydrophobicContact CB-CB 4.17Å; H24-C29 PolarHBondContact NE2-SG 3.1Å
25L82.1Confident76.6Confident118 Ų11892.6 Ų92.662%0.61848%0.48SS*.  trans-80.2162.4173.8-68.9170.9000110.7F27 Q28 C29L25-F27 VanDerWaalsContact C-N 3.27Å; L25-F27 PolarHBondContact O-N 2.68Å; L25-Q28 PolarHBondContact O-N 3.03Å; L25-C29 PolarHBondContact O-N 3.32Å
26T77.6Confident75.3Confident34 Ų3494.6 Ų94.621%0.20950%0.5CS..G310 helixtrans-51.7-46.3177.4520000111.7K17 K18 Q28 C29K17-T26 HydrophobicContact CB-CG2 3.67Å; K17-T26 HydrophobicContact CG-CG2 4.1Å; K18-T26 WeakPolarHBondContact CE-O 3.43Å; K18-T26 HydrophobicContact CG-CG2 4.09Å; K18-T26 PolarHBondContact NZ-O 2.75Å; T26-Q28 PolarHBondContact O-N 3.19Å; T26-C29 WeakPolarHBondContact O-CB 3.24Å; T26-C29 PolarHBondContact O-N 3.27Å
27F75.3Confident74.5Confident175 Ų175102.1 Ų102.177%0.76855%0.546SS*.G310 helixtrans-63.3-22.3-178.9-59.5-74.4000114.7L25L25-F27 VanDerWaalsContact C-N 3.27Å; L25-F27 PolarHBondContact O-N 2.68Å
28Q80.7Confident73.4Confident128 Ų12897.5 Ų97.560%0.59854%0.539SS*.G310 helixtrans-91.8-2.5176.9-65.6171.6-1.400112.7H24 L25 T26 R30H24-Q28 HydrophobicContact CB-CB 4.17Å; L25-Q28 PolarHBondContact O-N 3.03Å; T26-Q28 PolarHBondContact O-N 3.19Å; Q28-R30 PolarHBondContact O-N 2.61Å
29C80.7Confident72.5Confident8 Ų897.4 Ų97.45%0.05456%0.559CS.*  trans-70117-175.3-166.10000110.4C16 H24 L25 T26 N31 Y32C16-C29 WeakPolarHBondContact SG-CB 3.09Å; H24-C29 PolarHBondContact NE2-SG 3.1Å; L25-C29 PolarHBondContact O-N 3.32Å; T26-C29 WeakPolarHBondContact O-CB 3.24Å; T26-C29 PolarHBondContact O-N 3.27Å; C29-N31 PolarHBondContact O-N 3.02Å; C29-N31 PolarHBondContact SG-N 2.96Å; C29-Y32 VanDerWaalsContact O-CB 3.24Å; C29-Y32 WeakPolarHBondContact O-CB 3.27Å; C29-Y32 PolarHBondContact O-N 3.12Å; C29-Y32 VanDerWaalsContact O-N 3.09Å
30R78.2Confident71.5Confident224 Ų224101.3 Ų101.385%0.84558%0.578SS**THydrogen-bonded Turntrans-64.6-19.5170.5-69-175.9175.4176.5-2.7113.1Q28 Y32 L43Q28-R30 PolarHBondContact O-N 2.61Å; R30-Y32 PolarHBondContact O-N 3.2Å; R30-L43 VanDerWaalsContact O-CD1 3.27Å; R30-L43 WeakPolarHBondContact O-CD1 3.13Å
31N71Confident70.3Confident103 Ų103103.2 Ų103.255%0.55158%0.579SS**THydrogen-bonded Turntrans-90.323.8173.8-60.91.7000111.6C19 C29 L33C19-N31 HydrophobicContact CB-CB 4.42Å; C29-N31 PolarHBondContact O-N 3.02Å; C29-N31 PolarHBondContact SG-N 2.96Å; N31-L33 PolarHBondContact O-N 3.13Å; N31-L33 VanDerWaalsContact O-N 3.12Å
32Y70.4Confident69.2Low74 Ų74100.4 Ų100.429%0.2957%0.573SS.*  trans-71.7109.5-177.1-176.3-158000111.9K18 C29 R30 R34 V42K18-Y32 HydrophobicContact CD-CD2 3.22Å; K18-Y32 HydrophobicContact CD-CE2 3.49Å; K18-Y32 VanDerWaalsContact CD-CE2 3.49Å; K18-Y32 HydrophobicContact CD-CG 4.16Å; C29-Y32 VanDerWaalsContact O-CB 3.24Å; C29-Y32 WeakPolarHBondContact O-CB 3.27Å; C29-Y32 PolarHBondContact O-N 3.12Å; C29-Y32 VanDerWaalsContact O-N 3.09Å; R30-Y32 PolarHBondContact O-N 3.2Å; Y32-R34 HydrophobicContact CD1-CG 3.85Å; Y32-R34 HydrophobicContact CD2-CG 4.46Å; Y32-R34 HydrophobicContact CE1-CG 3.33Å; Y32-R34 HydrophobicContact CE2-CG 4.08Å; Y32-R34 HydrophobicContact CG-CG 4.43Å; Y32-R34 VanDerWaalsContact CZ-CG 3.48Å; Y32-V42 VanDerWaalsContact O-O 3.13Å
33L66.5Low67.9Low88 Ų8899.1 Ų99.146%0.46156%0.561SS.*  trans-83.5109.8162.6-47.7177.1000108.6N31 G35 V41N31-L33 PolarHBondContact O-N 3.13Å; N31-L33 VanDerWaalsContact O-N 3.12Å; L33-G35 PolarHBondContact O-N 3.45Å; L33-V41 HydrophobicContact CD1-CG2 4.29Å; L33-V41 HydrophobicContact CD2-CB 3.8Å; L33-V41 HydrophobicContact CD2-CG1 3.31Å; L33-V41 HydrophobicContact CD2-CG2 3.82Å
34R60.5Low66.7Low182 Ų182100.4 Ų100.469%0.68755%0.55SS*.  trans-77.366.1165-77-178.9169.3-121.62.8109.2Y32 G36Y32-R34 HydrophobicContact CD1-CG 3.85Å; Y32-R34 HydrophobicContact CD2-CG 4.46Å; Y32-R34 HydrophobicContact CE1-CG 3.33Å; Y32-R34 HydrophobicContact CE2-CG 4.08Å; Y32-R34 HydrophobicContact CG-CG 4.43Å; Y32-R34 VanDerWaalsContact CZ-CG 3.48Å; R34-G36 PolarHBondContact O-N 3.09Å
35G52.8Low65.3Low50 Ų50102 Ų10252%0.51556%0.564SS.*  trans-76.4106.3177.800000111L33L33-G35 PolarHBondContact O-N 3.45Å
36G48.1Very low63.9Low59 Ų59101 Ų10161%0.60857%0.566SS**  trans-62.2175.7149.500000110.3R34 S38 G39R34-G36 PolarHBondContact O-N 3.09Å; G36-S38 PolarHBondContact O-N 3.41Å; G36-G39 PolarHBondContact O-N 3.49Å
37V63.5Low62.8Low161 Ų161104.5 Ų104.598%0.97659%0.592SS**SBendtrans-50.7-12.8-170.41290000116.4
38S54.8Low62.1Low103 Ų103101.4 Ų101.472%0.7259%0.588SS**SBendtrans-118.662.9177.6-52.90000111.6G36 D40G36-S38 PolarHBondContact O-N 3.41Å; S38-D40 PolarHBondContact O-N 3.27Å
39G55.5Low60.5Low72 Ų7299.4 Ų99.474%0.74259%0.588SS**  trans48.210.9147.500000121.6G36G36-G39 PolarHBondContact O-N 3.49Å
40D59.9Low59.4Low115 Ų115102.1 Ų102.162%0.61561%0.607SS**  trans-82.3130.9-173.3-163.16.9000111.8S38 V42S38-D40 PolarHBondContact O-N 3.27Å; D40-V42 PolarHBondContact O-N 3.11Å
41V56.8Low58.4Low93 Ų9399.2 Ų99.256%0.56460%0.603SS**  trans-84.279.7-173.41700000109L33 L43L33-V41 HydrophobicContact CD1-CG2 4.29Å; L33-V41 HydrophobicContact CD2-CB 3.8Å; L33-V41 HydrophobicContact CD2-CG1 3.31Å; L33-V41 HydrophobicContact CD2-CG2 3.82Å; V41-L43 PolarHBondContact O-N 3.06Å; V41-L43 VanDerWaalsContact O-N 3.11Å
42V59.3Low57.7Low81 Ų8198.2 Ų98.249%0.49160%0.604SS.*  trans-83.587.7171.5-171.40000109.1Y32 D40Y32-V42 VanDerWaalsContact O-O 3.13Å; D40-V42 PolarHBondContact O-N 3.11Å
43L57.9Low57.3Low84 Ų8497.9 Ų97.944%0.4461%0.607SS.*  trans-66.7134.9164.2-17764.8000108.4R30 V41 V45R30-L43 VanDerWaalsContact O-CD1 3.27Å; R30-L43 WeakPolarHBondContact O-CD1 3.13Å; V41-L43 PolarHBondContact O-N 3.06Å; V41-L43 VanDerWaalsContact O-N 3.11Å; L43-V45 WeakPolarHBondContact O-CG2 3.24Å; L43-V45 PolarHBondContact O-N 3.24Å
44D63.2Low57.3Low104 Ų10499.1 Ų99.156%0.55661%0.61SS**  trans-69.681172.8-176.412.6000110.1S46D44-S46 PolarHBondContact O-N 3.24Å; D44-S46 VanDerWaalsContact OD1-CB 3.24Å; D44-S46 WeakPolarHBondContact OD1-CB 3.41Å; D44-S46 PolarHBondContact OD1-N 2.79Å; D44-S46 PolarHBondContact OD1-OG 3.41Å
45V57.7Low57.9Low87 Ų8794 Ų9453%0.52760%0.602SS.*G310 helixtrans-67.4-11.8179.1-104.70000112.5L43 S47 T48 S49L43-V45 WeakPolarHBondContact O-CG2 3.24Å; L43-V45 PolarHBondContact O-N 3.24Å; V45-S47 PolarHBondContact O-N 3.09Å; V45-T48 PolarHBondContact O-N 3.2Å; V45-T48 PolarHBondContact O-OG1 3.33Å; V45-S49 PolarHBondContact O-N 3.23Å; V45-S49 PolarHBondContact O-OG 2.93Å; V45-S49 VanDerWaalsContact O-OG 3.09Å
46S51.2Low59Low97 Ų9797.5 Ų97.568%0.67861%0.605SS**G310 helixtrans-61.3-28.6-179.6-53.50000112.9D44 T48D44-S46 PolarHBondContact O-N 3.24Å; D44-S46 VanDerWaalsContact OD1-CB 3.24Å; D44-S46 WeakPolarHBondContact OD1-CB 3.41Å; D44-S46 PolarHBondContact OD1-N 2.79Å; D44-S46 PolarHBondContact OD1-OG 3.41Å; S46-T48 VanDerWaalsContact C-N 3.25Å; S46-T48 PolarHBondContact O-N 3.46Å
47S55.7Low60.5Low107 Ų107100 Ų10075%0.74860%0.604SS**G310 helixtrans-76.6-8.8174.8-64.10000114.1V45V45-S47 PolarHBondContact O-N 3.09Å
48T59.3Low61.4Low110 Ų11097.1 Ų97.168%0.67558%0.582SS**THydrogen-bonded Turntrans-111.4-4177.720.40000113.2V45 S46 S50V45-T48 PolarHBondContact O-N 3.2Å; V45-T48 PolarHBondContact O-OG1 3.33Å; S46-T48 VanDerWaalsContact C-N 3.25Å; S46-T48 PolarHBondContact O-N 3.46Å; T48-S50 VanDerWaalsContact C-N 3.26Å; T48-S50 PolarHBondContact O-N 2.91Å
49S48.5Very low62.9Low85 Ų8594.8 Ų94.859%0.59457%0.569SS**  trans-8525-174.5-63.40000115.2V45 Q51V45-S49 PolarHBondContact O-N 3.23Å; V45-S49 PolarHBondContact O-OG 2.93Å; V45-S49 VanDerWaalsContact O-OG 3.09Å; S49-Q51 PolarHBondContact O-N 2.97Å
50S56.7Low64.4Low65 Ų6594 Ų9446%0.45556%0.555SS.*  trans-78.766.9159.8-56.80000110.3T48 S52 D53T48-S50 VanDerWaalsContact C-N 3.26Å; T48-S50 PolarHBondContact O-N 2.91Å; S50-S52 PolarHBondContact O-N 3.03Å; S50-S52 VanDerWaalsContact O-N 3.13Å; S50-D53 WeakPolarHBondContact CB-OD2 3.35Å; S50-D53 WeakPolarHBondContact O-CB 3.45Å; S50-D53 PolarHBondContact O-N 3.07Å; S50-D53 PolarHBondContact OG-OD2 3.21Å; S50-D53 VanDerWaalsContact OG-OD2 3.07Å
51Q57.8Low65.6Low163 Ų16391.4 Ų91.476%0.76255%0.55SS**THydrogen-bonded Turntrans-61.5-12.1167.4-116.3179.336.200111.9S49 E54S49-Q51 PolarHBondContact O-N 2.97Å; Q51-E54 VanDerWaalsContact O-OE1 3.07Å
52S55.6Low67.3Low82 Ų8290.6 Ų90.657%0.57354%0.542SS*.THydrogen-bonded Turntrans-77.7-27.8172-51.90000112.8S50 E54 S55S50-S52 PolarHBondContact O-N 3.03Å; S50-S52 VanDerWaalsContact O-N 3.13Å; S52-E54 VanDerWaalsContact C-N 3.34Å; S52-E54 PolarHBondContact O-N 3.33Å; S52-S55 PolarHBondContact O-OG 3.13Å; S52-S55 VanDerWaalsContact O-OG 3.07Å
53D62.6Low68.8Low68 Ų6893.2 Ų93.236%0.36455%0.549SS..Hα-helixtrans-72.4-26.1-173.5-71.3-15.2000112.2S50 S55 E56 I57S50-D53 WeakPolarHBondContact CB-OD2 3.35Å; S50-D53 WeakPolarHBondContact O-CB 3.45Å; S50-D53 PolarHBondContact O-N 3.07Å; S50-D53 PolarHBondContact OG-OD2 3.21Å; S50-D53 VanDerWaalsContact OG-OD2 3.07Å; D53-S55 VanDerWaalsContact C-N 3.29Å; D53-S55 PolarHBondContact O-N 3.39Å; D53-E56 PolarHBondContact O-N 2.73Å; D53-I57 HydrophobicContact CB-CD1 3.86Å; D53-I57 HydrophobicContact CB-CG1 4.37Å; D53-I57 WeakPolarHBondContact O-CB 2.8Å; D53-I57 WeakPolarHBondContact O-CD1 3.18Å; D53-I57 WeakPolarHBondContact O-CG1 3.47Å; D53-I57 PolarHBondContact O-N 3.25Å
54E66.7Low70.3Confident113 Ų11395.3 Ų95.353%0.52856%0.56SS.*Hα-helixtrans-61.5-41-176.966.5-165.9102.700111.9Q51 S52 I58Q51-E54 VanDerWaalsContact O-OE1 3.07Å; S52-E54 VanDerWaalsContact C-N 3.34Å; S52-E54 PolarHBondContact O-N 3.33Å; E54-I58 WeakPolarHBondContact O-CB 3.05Å; E54-I58 VanDerWaalsContact O-CD1 3.29Å; E54-I58 WeakPolarHBondContact O-CD1 3.3Å; E54-I58 WeakPolarHBondContact O-CG1 3.37Å; E54-I58 PolarHBondContact O-N 3.31Å
55S72.4Confident71.6Confident74 Ų7499.1 Ų99.152%0.51757%0.567SS.*Hα-helixtrans-68.6-41178.171.70000111.8S52 D53 I58 A59S52-S55 PolarHBondContact O-OG 3.13Å; S52-S55 VanDerWaalsContact O-OG 3.07Å; D53-S55 VanDerWaalsContact C-N 3.29Å; D53-S55 PolarHBondContact O-N 3.39Å; S55-I58 PolarHBondContact O-N 2.94Å; S55-A59 WeakPolarHBondContact O-CB 3.29Å; S55-A59 PolarHBondContact O-N 3.43Å
56E75.7Confident73.2Confident124 Ų124103.3 Ų103.358%0.57957%0.573SS**Hα-helixtrans-68.8-41.1177.6-64.6-174.9-163.700111.6D53 A59 A60D53-E56 PolarHBondContact O-N 2.73Å; E56-A59 PolarHBondContact O-N 3.07Å; E56-A60 VanDerWaalsContact O-CB 3.3Å; E56-A60 WeakPolarHBondContact O-CB 3.43Å; E56-A60 PolarHBondContact O-N 3.48Å
57I79Confident75Confident112 Ų112101.5 Ų101.557%0.57456%0.564SS**Hα-helixtrans-62.6-44.6174.5-70.1164.7000110D53 A60 A61D53-I57 HydrophobicContact CB-CD1 3.86Å; D53-I57 HydrophobicContact CB-CG1 4.37Å; D53-I57 WeakPolarHBondContact O-CB 2.8Å; D53-I57 WeakPolarHBondContact O-CD1 3.18Å; D53-I57 WeakPolarHBondContact O-CG1 3.47Å; D53-I57 PolarHBondContact O-N 3.25Å; I57-A60 PolarHBondContact O-N 2.9Å; I57-A61 VanDerWaalsContact O-CB 3.27Å; I57-A61 WeakPolarHBondContact O-CB 3.27Å; I57-A61 PolarHBondContact O-N 2.83Å
58I84.1Confident76.7Confident100 Ų10098.8 Ų98.851%0.51355%0.545SS..Hα-helixtrans-63.9-44.1176.8-69.6163.1000110.4E54 S55 A61 L62E54-I58 WeakPolarHBondContact O-CB 3.05Å; E54-I58 VanDerWaalsContact O-CD1 3.29Å; E54-I58 WeakPolarHBondContact O-CD1 3.3Å; E54-I58 WeakPolarHBondContact O-CG1 3.37Å; E54-I58 PolarHBondContact O-N 3.31Å; S55-I58 PolarHBondContact O-N 2.94Å; I58-A61 PolarHBondContact O-N 2.9Å; I58-L62 HydrophobicContact CG2-CD1 3.96Å; I58-L62 WeakPolarHBondContact O-CB 3.5Å; I58-L62 WeakPolarHBondContact O-CG 3.09Å; I58-L62 PolarHBondContact O-N 3.07Å
59A85.9Confident78Confident55 Ų5598.3 Ų98.346%0.45554%0.536SS..Hα-helixtrans-61.3-47.6177.500000111.6S55 E56 A61 L62 E63S55-A59 WeakPolarHBondContact O-CB 3.29Å; S55-A59 PolarHBondContact O-N 3.43Å; E56-A59 PolarHBondContact O-N 3.07Å; A59-A61 PolarHBondContact O-N 2.99Å; A59-L62 PolarHBondContact O-N 3.3Å; A59-E63 PolarHBondContact O-N 2.92Å
60A85.6Confident79.9Confident55 Ų5597.1 Ų97.146%0.45553%0.531SS..Hα-helixtrans-61.4-42.4176.900000112E56 I57 L62 E63 L64E56-A60 VanDerWaalsContact O-CB 3.3Å; E56-A60 WeakPolarHBondContact O-CB 3.43Å; E56-A60 PolarHBondContact O-N 3.48Å; I57-A60 PolarHBondContact O-N 2.9Å; A60-L62 PolarHBondContact O-N 3.46Å; A60-E63 PolarHBondContact O-N 3.39Å; A60-L64 WeakPolarHBondContact O-CB 3.47Å; A60-L64 PolarHBondContact O-N 2.94Å
61A86.7Confident81.4Confident61 Ų6196.3 Ų96.350%0.50453%0.529SS..Hα-helixtrans-64.2-39.8176.500000112.3I57 I58 A59 R65I57-A61 VanDerWaalsContact O-CB 3.27Å; I57-A61 WeakPolarHBondContact O-CB 3.27Å; I57-A61 PolarHBondContact O-N 2.83Å; I58-A61 PolarHBondContact O-N 2.9Å; A59-A61 PolarHBondContact O-N 2.99Å; A61-R65 WeakPolarHBondContact O-CB 3.35Å; A61-R65 PolarHBondContact O-N 2.87Å; A61-R65 VanDerWaalsContact O-N 3.1Å
62L91.4Very high82.8Confident75 Ų7595 Ų9539%0.39352%0.52SS..Hα-helixtrans-66.3-42.1175.9-78.6168.9000112I58 A59 A60 R65 R66I58-L62 HydrophobicContact CG2-CD1 3.96Å; I58-L62 WeakPolarHBondContact O-CB 3.5Å; I58-L62 WeakPolarHBondContact O-CG 3.09Å; I58-L62 PolarHBondContact O-N 3.07Å; A59-L62 PolarHBondContact O-N 3.3Å; A60-L62 PolarHBondContact O-N 3.46Å; L62-R65 PolarHBondContact O-N 3.38Å; L62-R66 WeakPolarHBondContact O-CG 3.49Å; L62-R66 PolarHBondContact O-N 3.48Å
63E90.6Very high84.2Confident136 Ų13697.6 Ų97.664%0.63652%0.522SS*.Hα-helixtrans-62.5-47.7176.9-175171.1-168.100111.6A59 A60 R65 R66 A67A59-E63 PolarHBondContact O-N 2.92Å; A60-E63 PolarHBondContact O-N 3.39Å; E63-R65 VanDerWaalsContact C-N 3.27Å; E63-R65 PolarHBondContact O-N 2.97Å; E63-R66 WeakPolarHBondContact O-CB 3.35Å; E63-R66 PolarHBondContact O-N 3.37Å; E63-A67 WeakPolarHBondContact O-CB 3.43Å; E63-A67 PolarHBondContact O-N 3.24Å
64L89.5Confident85.2Confident128 Ų128101.7 Ų101.767%0.6754%0.536SS*.Hα-helixtrans-59.5-39.4177.5-163.5154.1000111.4A60 S68A60-L64 WeakPolarHBondContact O-CB 3.47Å; A60-L64 PolarHBondContact O-N 2.94Å; L64-S68 WeakPolarHBondContact O-CB 3.35Å; L64-S68 PolarHBondContact O-N 3.47Å
65R90.5Very high86Confident185 Ų185103 Ų10370%0.69854%0.54SS*.Hα-helixtrans-64.7-43.3174.6-170.7176.7-176.8-178.51.4112.1A61 L62 E63 S68 M69A61-R65 WeakPolarHBondContact O-CB 3.35Å; A61-R65 PolarHBondContact O-N 2.87Å; A61-R65 VanDerWaalsContact O-N 3.1Å; L62-R65 PolarHBondContact O-N 3.38Å; E63-R65 VanDerWaalsContact C-N 3.27Å; E63-R65 PolarHBondContact O-N 2.97Å; R65-S68 PolarHBondContact O-N 3.09Å; R65-M69 VanDerWaalsContact O-CG 3.26Å; R65-M69 WeakPolarHBondContact O-CG 3.4Å; R65-M69 PolarHBondContact O-N 3.1Å; R65-M69 VanDerWaalsContact O-N 3.09Å
66R91.1Very high86.4Confident175 Ų175106.1 Ų106.166%0.6655%0.548SS*.Hα-helixtrans-63.7-45.9177.2-73.2172.8-177.2147.5-0.2111.3L62 E63 S68 M69 A70L62-R66 WeakPolarHBondContact O-CG 3.49Å; L62-R66 PolarHBondContact O-N 3.48Å; E63-R66 WeakPolarHBondContact O-CB 3.35Å; E63-R66 PolarHBondContact O-N 3.37Å; R66-S68 PolarHBondContact O-N 3.03Å; R66-M69 PolarHBondContact O-N 2.91Å; R66-A70 PolarHBondContact O-N 3.29Å
67A90.1Very high86.6Confident59 Ų59107.5 Ų107.549%0.48855%0.552SS.*Hα-helixtrans-60-45.1177.300000111.9E63 M69 A70 A71E63-A67 WeakPolarHBondContact O-CB 3.43Å; E63-A67 PolarHBondContact O-N 3.24Å; A67-M69 VanDerWaalsContact C-N 3.34Å; A67-M69 PolarHBondContact O-N 3.41Å; A67-A70 PolarHBondContact O-N 3.49Å; A67-A71 WeakPolarHBondContact O-CB 3.26Å; A67-A71 PolarHBondContact O-N 2.99Å
68S90.1Very high86.5Confident49 Ų49107.8 Ų107.834%0.34355%0.551SS.*Hα-helixtrans-60.2-41.9176.2-175.30000112.5L64 R65 R66 K72L64-S68 WeakPolarHBondContact O-CB 3.35Å; L64-S68 PolarHBondContact O-N 3.47Å; R65-S68 PolarHBondContact O-N 3.09Å; R66-S68 PolarHBondContact O-N 3.03Å; S68-K72 WeakPolarHBondContact O-CB 3.37Å; S68-K72 VanDerWaalsContact O-CG 3.3Å; S68-K72 WeakPolarHBondContact O-CG 3.3Å; S68-K72 PolarHBondContact O-N 3.32Å
69M88.4Confident86.1Confident100 Ų100110.7 Ų110.749%0.49356%0.56SS.*Hα-helixtrans-68.9-39.2177.9-69.3-63.9-74.800112.4R65 R66 A67 K73R65-M69 VanDerWaalsContact O-CG 3.26Å; R65-M69 WeakPolarHBondContact O-CG 3.4Å; R65-M69 PolarHBondContact O-N 3.1Å; R65-M69 VanDerWaalsContact O-N 3.09Å; R66-M69 PolarHBondContact O-N 2.91Å; A67-M69 VanDerWaalsContact C-N 3.34Å; A67-M69 PolarHBondContact O-N 3.41Å; M69-K73 WeakPolarHBondContact O-CG 3.48Å; M69-K73 PolarHBondContact O-N 2.93Å
70A88.3Confident85.5Confident60 Ų60114.6 Ų114.650%0.49657%0.567SS.*Hα-helixtrans-64.5-45.5175.300000111.6R66 A67 K72 K73 K74R66-A70 PolarHBondContact O-N 3.29Å; A67-A70 PolarHBondContact O-N 3.49Å; A70-K72 PolarHBondContact O-N 3.24Å; A70-K73 PolarHBondContact O-N 3.37Å; A70-K74 PolarHBondContact O-N 2.94Å
71A87.5Confident84.7Confident49 Ų49118.5 Ų118.541%0.40558%0.575SS.*Hα-helixtrans-61.6-42.5177.200000112.1A67 K74 K75A67-A71 WeakPolarHBondContact O-CB 3.26Å; A67-A71 PolarHBondContact O-N 2.99Å; A71-K74 PolarHBondContact O-N 3.24Å; A71-K75 WeakPolarHBondContact O-CG 3.38Å; A71-K75 PolarHBondContact O-N 3.4Å
72K87.1Confident83.9Confident134 Ų134119 Ų11958%0.58357%0.572SS**Hα-helixtrans-62.5-42.6175.2-75.7175.1-179.31770112.2S68 A70 K75 M76S68-K72 WeakPolarHBondContact O-CB 3.37Å; S68-K72 VanDerWaalsContact O-CG 3.3Å; S68-K72 WeakPolarHBondContact O-CG 3.3Å; S68-K72 PolarHBondContact O-N 3.32Å; A70-K72 PolarHBondContact O-N 3.24Å; K72-K75 PolarHBondContact O-N 2.98Å; K72-M76 WeakPolarHBondContact O-CB 3.3Å; K72-M76 PolarHBondContact O-N 3.39Å
73K85.8Confident82.6Confident138 Ų138119.2 Ų119.260%0.658%0.58SS**Hα-helixtrans-63.7-42.5176.3-75.7179179.1-178.80111.9M69 A70 M76 K77M69-K73 WeakPolarHBondContact O-CG 3.48Å; M69-K73 PolarHBondContact O-N 2.93Å; A70-K73 PolarHBondContact O-N 3.37Å; K73-M76 PolarHBondContact O-N 2.96Å; K73-K77 WeakPolarHBondContact O-CG 3.44Å; K73-K77 PolarHBondContact O-N 3.49Å
74K83.1Confident81.2Confident154 Ų154119.6 Ų119.667%0.6758%0.579SS**Hα-helixtrans-62.1-49.1176.6-171.3177.7177.4-178.10111.1A70 A71 M76 K77 E78A70-K74 PolarHBondContact O-N 2.94Å; A71-K74 PolarHBondContact O-N 3.24Å; K74-M76 VanDerWaalsContact C-N 3.31Å; K74-M76 PolarHBondContact O-N 3.02Å; K74-K77 PolarHBondContact O-N 3.06Å; K74-E78 WeakPolarHBondContact O-CB 3.41Å; K74-E78 PolarHBondContact O-N 3.45Å
75K83.3Confident79.8Confident141 Ų141122.8 Ų122.861%0.61358%0.583SS**Hα-helixtrans-59.2-39.4176.6-72.6-177.9178.5-175.10112.7A71 K72 K79A71-K75 WeakPolarHBondContact O-CG 3.38Å; A71-K75 PolarHBondContact O-N 3.4Å; K72-K75 PolarHBondContact O-N 2.98Å; K75-K79 WeakPolarHBondContact O-CB 3.39Å; K75-K79 VanDerWaalsContact O-CG 3.3Å; K75-K79 WeakPolarHBondContact O-CG 3.49Å; K75-K79 PolarHBondContact O-N 3.34Å
76M79.8Confident78.2Confident139 Ų139123 Ų12369%0.68558%0.583SS**Hα-helixtrans-68.7-40.6177.1-176.9-179.4161.800112.3K72 K73 K74 K80K72-M76 WeakPolarHBondContact O-CB 3.3Å; K72-M76 PolarHBondContact O-N 3.39Å; K73-M76 PolarHBondContact O-N 2.96Å; K74-M76 VanDerWaalsContact C-N 3.31Å; K74-M76 PolarHBondContact O-N 3.02Å; M76-K80 WeakPolarHBondContact O-CB 3.37Å; M76-K80 PolarHBondContact O-N 3.29Å
77K80.6Confident76.6Confident152 Ų152122 Ų12266%0.66159%0.586SS**Hα-helixtrans-63.2-43.5175.7-76.1-176.7176.3-172.50111.5K73 K74 K80 Q81K73-K77 WeakPolarHBondContact O-CG 3.44Å; K73-K77 PolarHBondContact O-N 3.49Å; K74-K77 PolarHBondContact O-N 3.06Å; K77-K80 PolarHBondContact O-N 2.95Å; K77-Q81 PolarHBondContact O-N 3.18Å
78E76.8Confident75Confident119 Ų119123.7 Ų123.756%0.55659%0.594SS**Hα-helixtrans-64.5-47.1178.6-166.9-179.7163.600111.7K74 K80 Q81 V82K74-E78 WeakPolarHBondContact O-CB 3.41Å; K74-E78 PolarHBondContact O-N 3.45Å; E78-K80 VanDerWaalsContact C-N 3.27Å; E78-K80 PolarHBondContact O-N 2.99Å; E78-Q81 PolarHBondContact O-N 2.98Å; E78-Q81 VanDerWaalsContact O-N 3.08Å; E78-V82 WeakPolarHBondContact O-CG2 3.41Å; E78-V82 PolarHBondContact O-N 3.15Å
79K75.7Confident73.4Confident161 Ų161127 Ų12770%0.761%0.612SS**Hα-helixtrans-57.6-38.7173.6-74.8-177.7178.1-166.80112.6K75 S83K75-K79 WeakPolarHBondContact O-CB 3.39Å; K75-K79 VanDerWaalsContact O-CG 3.3Å; K75-K79 WeakPolarHBondContact O-CG 3.49Å; K75-K79 PolarHBondContact O-N 3.34Å; K79-S83 WeakPolarHBondContact O-CB 3.46Å; K79-S83 PolarHBondContact O-N 3.46Å
80K73Confident71.7Confident136 Ų136127.8 Ų127.859%0.59162%0.623SS**Hα-helixtrans-68.2-35.5177.1-168.3174.6-177.7178.20112.1M76 K77 E78 K84M76-K80 WeakPolarHBondContact O-CB 3.37Å; M76-K80 PolarHBondContact O-N 3.29Å; K77-K80 PolarHBondContact O-N 2.95Å; E78-K80 VanDerWaalsContact C-N 3.27Å; E78-K80 PolarHBondContact O-N 2.99Å; K80-K84 WeakPolarHBondContact O-CG 3.41Å; K80-K84 PolarHBondContact O-N 3.03Å
81Q69.5Low69.6Low137 Ų137127.8 Ų127.864%0.6463%0.629SS**Hα-helixtrans-70.6-42.3175.3-71.4-157.645.100112.2K77 E78 S83 K84 R85K77-Q81 PolarHBondContact O-N 3.18Å; E78-Q81 PolarHBondContact O-N 2.98Å; E78-Q81 VanDerWaalsContact O-N 3.08Å; Q81-S83 PolarHBondContact O-N 2.97Å; Q81-K84 PolarHBondContact O-N 3.31Å; Q81-R85 PolarHBondContact O-N 3.49Å; Q81-R85 VanDerWaalsContact O-N 3.15Å
82V69Low67.4Low71 Ų71130.8 Ų130.843%0.4365%0.647SS.*Hα-helixtrans-64.9-40.1177.1176.40000111.4E78 K84 R85 R86E78-V82 WeakPolarHBondContact O-CG2 3.41Å; E78-V82 PolarHBondContact O-N 3.15Å; V82-K84 VanDerWaalsContact C-N 3.34Å; V82-K84 PolarHBondContact O-N 3.24Å; V82-R85 PolarHBondContact O-N 3.03Å; V82-R86 PolarHBondContact O-N 3.08Å; V82-R86 VanDerWaalsContact O-N 3.08Å
83S63.9Low65.4Low80 Ų80130.2 Ų130.256%0.55966%0.66SS**Hα-helixtrans-63.3-37.8176.4170.80000112.7K79 Q81 R86 H87K79-S83 WeakPolarHBondContact O-CB 3.46Å; K79-S83 PolarHBondContact O-N 3.46Å; Q81-S83 PolarHBondContact O-N 2.97Å; S83-R86 PolarHBondContact O-N 2.98Å; S83-H87 PolarHBondContact O-N 3.08Å
84K61.6Low63.3Low144 Ų144131.3 Ų131.363%0.62667%0.667SS**Hα-helixtrans-65.8-39.1174.9-74.9-177.8174.9-167.10112.5K80 Q81 V82 R86 H87K80-K84 WeakPolarHBondContact O-CG 3.41Å; K80-K84 PolarHBondContact O-N 3.03Å; Q81-K84 PolarHBondContact O-N 3.31Å; V82-K84 VanDerWaalsContact C-N 3.34Å; V82-K84 PolarHBondContact O-N 3.24Å; K84-R86 VanDerWaalsContact C-N 3.35Å; K84-H87 PolarHBondContact O-N 3.28Å
85R60.1Low61.2Low196 Ų196129.6 Ų129.674%0.7468%0.675SS**Hα-helixtrans-67.8-30.9176.6-76.9-176.6157.9-170.7-6.3113.5Q81 V82 S88Q81-R85 PolarHBondContact O-N 3.49Å; Q81-R85 VanDerWaalsContact O-N 3.15Å; V82-R85 PolarHBondContact O-N 3.03Å; R85-S88 PolarHBondContact O-OG 3.41Å
86R58.5Low59.3Low188 Ų188128.8 Ų128.871%0.70969%0.687SS**Hα-helixtrans-77-24.6177.9-71.6-174177.4-130.2-0.5113.6V82 S83 K84 T89V82-R86 PolarHBondContact O-N 3.08Å; V82-R86 VanDerWaalsContact O-N 3.08Å; S83-R86 PolarHBondContact O-N 2.98Å; K84-R86 VanDerWaalsContact C-N 3.35Å; R86-T89 PolarHBondContact O-OG1 3.33Å
87H56.7Low57.2Low154 Ų154127.7 Ų127.771%0.71369%0.693SS**Hα-helixtrans-74.9-28.2176.3-166.9-25.7000111.8S83 K84 T89 T90S83-H87 PolarHBondContact O-N 3.08Å; K84-H87 PolarHBondContact O-N 3.28Å; H87-T89 VanDerWaalsContact C-N 3.25Å; H87-T89 PolarHBondContact O-N 3.27Å; H87-T90 WeakPolarHBondContact O-CG2 3.44Å
88S55.8Low55.4Low96 Ų96125.9 Ų125.967%0.67170%0.699SS**THydrogen-bonded Turntrans-76-4.6-177.7540000115.1R85R85-S88 PolarHBondContact O-OG 3.41Å
89T57.2Low53.8Low117 Ų117131.7 Ų131.772%0.71872%0.716SS**THydrogen-bonded Turntrans-110.88.1-177.360.90000114.2R86 H87 G91R86-T89 PolarHBondContact O-OG1 3.33Å; H87-T89 VanDerWaalsContact C-N 3.25Å; H87-T89 PolarHBondContact O-N 3.27Å; T89-G91 VanDerWaalsContact C-N 3.31Å; T89-G91 PolarHBondContact O-N 3.45Å
90T52.3Low52.1Low117 Ų117129.4 Ų129.472%0.71872%0.72SS**  trans-99.462.5169.41460000108.3H87H87-T90 WeakPolarHBondContact O-CG2 3.44Å
91G43.5Very low50.7Low61 Ų61128.5 Ų128.563%0.62973%0.731SS**SBendtrans-124.6111.6163.900000106.9T89T89-G91 VanDerWaalsContact C-N 3.31Å; T89-G91 PolarHBondContact O-N 3.45Å
92S42.8Very low49.6Very low112 Ų112128.3 Ų128.378%0.78374%0.74SS**  trans58.494.6165.9-57.70000117.7
93S43.7Very low48.4Very low121 Ų121130.7 Ų130.785%0.84676%0.756SS**  trans-134.899.5146.964.20000108.8S95S93-S95 PolarHBondContact O-N 3.24Å
94E43.3Very low47.5Very low161 Ų161132.3 Ų132.375%0.75276%0.759SS**  trans-55123.4169.5-28-78.696.400109.9
95S37.7Very low46.7Very low119 Ų119133.7 Ų133.783%0.83277%0.767SS**  trans28.1106.3137.4-40.80000119.3S93S93-S95 PolarHBondContact O-N 3.24Å
96S42.9Very low46.1Very low123 Ų123129.6 Ų129.686%0.8676%0.756SS**  trans-153.713013360.20000111.6
97S37.4Very low45.5Very low117 Ų117131.1 Ų131.182%0.81876%0.762SS**  trans-74.3139.2-177.760.40000112.4
98S42.3Very low45.1Very low113 Ų113132 Ų13279%0.7977%0.766SS**  trans-162.2106.414235.90000112
99R43.8Very low44.9Very low241 Ų241134.2 Ų134.291%0.90977%0.765SS**  trans29116.2136.7-71.3176.2167.5177.1-4.5119.6
100S39Very low45Very low113 Ų113138.3 Ų138.379%0.7977%0.773SS**  77.8109.4121.6-148.70000118.5
101S42.8Very low44.9Very low117 Ų117140.5 Ų140.582%0.81877%0.773SS**  176.7120.7102.432.40000110.8
102T47.9Very low45.3Very low134 Ų134147 Ų14782%0.82278%0.784SS**  trans-76.3150.7162.448.30000109.6
103P43.3Very low45.7Very low120 Ų120149.4 Ų149.478%0.77978%0.782SS**  -140.7141.475.5221.7000113.5
104D44.1Very low46.1Very low115 Ų115150.7 Ų150.762%0.61577%0.773SS**  60.2103.488.3-161.1-117.6000115.6H106D104-H106 IonicContact OD1-CD2 3.46Å; D104-H106 PolarHBondContact OD1-CD2 3.5Å; D104-H106 IonicContact OD1-NE2 3.77Å; D104-H106 IonicContact OD2-CD2 3.58Å; D104-H106 IonicContact OD2-NE2 3.63Å
105H46.5Very low46.8Very low173 Ų173149.1 Ų149.180%0.80178%0.779SS**  trans-16291.8132.8-150-88.5000111.3
106H46Very low47.6Very low109 Ų109151.1 Ų151.151%0.50577%0.773SS.*  30.3126128.5-74.1-61.4000122.4D104D104-H106 IonicContact OD1-CD2 3.46Å; D104-H106 PolarHBondContact OD1-CD2 3.5Å; D104-H106 IonicContact OD1-NE2 3.77Å; D104-H106 IonicContact OD2-CD2 3.58Å; D104-H106 IonicContact OD2-NE2 3.63Å
107R47.5Very low48.3Very low221 Ų221154.2 Ų154.283%0.83477%0.771SS**  trans76.7113133-65.6171-178.9-154.20.3118.3
108H48Very low49.1Very low173 Ų173156.3 Ų156.380%0.80177%0.772SS**  -164.6120.794.6-135.1-94.3000113.1
109H51.8Low50Low141 Ų141158.6 Ų158.665%0.65377%0.77SS**  trans-59.6134.1162-108.9-64.5000110.7K111H109-K111 VanDerWaalsContact CE1-CE 3.45Å; H109-K111 WeakPolarHBondContact CE1-CE 3.49Å
110K58.9Low50.4Low203 Ų203156.9 Ų156.988%0.88377%0.769SS**  trans-133.9104.4139.6-75-160.1177.4-177.30110.2
111K50.7Low51.5Low164 Ų164159.6 Ų159.671%0.71377%0.769SS**  trans-77.8160.6164.4-73.3173.4174.3170.30109.9H109H109-K111 VanDerWaalsContact CE1-CE 3.45Å; H109-K111 WeakPolarHBondContact CE1-CE 3.49Å
112K50.7Low52.1Low198 Ų198159.5 Ų159.586%0.86177%0.766SS**  trans115.4138156.6-66.4-177.9-179.5-172.90114.6
113H51.2Low52.9Low161 Ų161162.7 Ų162.775%0.74577%0.768SS**  cis-168.5132.3-23.5-129-105.8000105.5
114K52.7Low54Low149 Ų149168.5 Ų168.565%0.64877%0.774SS**  trans54.985.6139.7-156.8168.9-173.6174.40119.7K116K114-K116 HydrophobicContact CG-CG 4.05Å
115S57.3Low54.9Low127 Ų127172.4 Ų172.489%0.88879%0.786SS**  trans-93.490.6152.757.10000110.3K117S115-K117 PolarHBondContact O-N 3.44Å
116K56Low55.6Low162 Ų162172.8 Ų172.870%0.70479%0.788SS**  trans-76.9101.4162.7-77.2177.6164.2-176.30108.4K114K114-K116 HydrophobicContact CG-CG 4.05Å
117K55.6Low56.2Low188 Ų188176.7 Ų176.782%0.81780%0.803SS**  trans-141.189.9150.6-78.1-163.1179.4-178.70109.1S115 H119S115-K117 PolarHBondContact O-N 3.44Å; K117-H119 PolarHBondContact O-N 3.26Å
118L54.8Low56.5Low161 Ų161175.4 Ų175.484%0.84381%0.806SS**  trans-67.5106.4161.7-70.9155.9000107.3
119H60.6Low56.9Low161 Ų161172.3 Ų172.375%0.74580%0.804SS**  trans-116.793.5152.4-80-76.8000107.4K117 H121K117-H119 PolarHBondContact O-N 3.26Å; H119-H121 PolarHBondContact O-N 3.15Å
120K52.9Low57Low205 Ų205177.2 Ų177.289%0.89182%0.817SS**  trans-7299.2176.3-162.1174.8-174.1-177.50106.7
121H62.4Low56.9Low170 Ų170172.2 Ų172.279%0.78781%0.808SS**  trans-79.2127169.5-88.5-80.7000109.6H119 K123H119-H121 PolarHBondContact O-N 3.15Å; H121-K123 PolarHBondContact O-N 3.48Å
122P56.1Low57Low114 Ų114177.1 Ų177.174%0.7483%0.833SS**  trans-69.3130.4-178.425.6-31.5000111.1R124P122-R124 PolarHBondContact O-N 3.45Å; P122-R124 VanDerWaalsContact O-N 3.15Å
123K64.5Low57.3Low202 Ų202176.1 Ų176.188%0.87883%0.831SS**  trans-67107.8173.1-65.6-176.5178.9179.80108.7H121 K125H121-K123 PolarHBondContact O-N 3.48Å; K123-K125 PolarHBondContact O-N 3.3Å
124R65.5Low57.7Low241 Ų241176.8 Ų176.891%0.90984%0.836SS**  trans-63.4114.2164.7-65.6177.381.4-165.65.5107.1P122 H126P122-R124 PolarHBondContact O-N 3.45Å; P122-R124 VanDerWaalsContact O-N 3.15Å; R124-H126 PolarHBondContact O-N 3.2Å
125K63.5Low57.9Low197 Ų197178.4 Ų178.486%0.85785%0.846SS**PPolyproline II helixtrans-68.4116.4171.6-67.8-168177.9-1750107.6K123 K127K123-K125 PolarHBondContact O-N 3.3Å; K125-K127 PolarHBondContact O-N 3.25Å
126H61.9Low58Low182 Ų182181.4 Ų181.484%0.84384%0.844SS**PPolyproline II helixtrans-64.9116.2164.4-110.9-84.8000107R124 H128R124-H126 PolarHBondContact O-N 3.2Å; H126-H128 PolarHBondContact O-N 3.13Å
127K58.6Low58.1Low191 Ų191182.6 Ų182.683%0.8385%0.853SS**PPolyproline II helixtrans-68.9125.8167.7-70.5-173.3175.8-174.70107K125 S129K125-K127 PolarHBondContact O-N 3.25Å; K127-S129 PolarHBondContact O-N 3.46Å; K127-S129 VanDerWaalsContact O-N 3.13Å
128H52.1Low58.3Low194 Ų194182.3 Ų182.390%0.89886%0.855SS**  trans-66.4104.4167.3-75.6-83.7000107.7H126 R130H126-H128 PolarHBondContact O-N 3.13Å; H128-R130 PolarHBondContact O-N 3.42Å
129S57.1Low58.5Low107 Ų107183.8 Ų183.875%0.74886%0.856SS**  trans-83.3100.4158.253.10000106.7K127 S131K127-S129 PolarHBondContact O-N 3.46Å; K127-S129 VanDerWaalsContact O-N 3.13Å; S129-S131 PolarHBondContact O-N 3.3Å
130R54.1Low58.3Low244 Ų244185.5 Ų185.592%0.92186%0.864SS**  trans-74.7100.5162.8-176.5-179.7-177.2-176.60.1105.6H128H128-R130 PolarHBondContact O-N 3.42Å
131S56.7Low58.8Low99 Ų99183.9 Ų183.969%0.69286%0.862SS**  trans-102.6111.6169.344.90000107.3S129S129-S131 PolarHBondContact O-N 3.3Å
132E53Low58.5Low266 Ų266185.2 Ų185.2100%1.24387%0.869SS**  trans38.60161.5-69175.6109.300119.5

Retrieved 132 of 132 residues in 50.8 ms (Link to these results)