A0A060X3K9_ONCMY Loading...

Lin-28 homolog B

AlphaFold DB , UniProt , Accession A0A060X3K9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110538978, Length 248 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
1M49.1Very low47.2Very low235 Ų235125.3 Ų125.3100%1.15883%0.828SS**  0960-53.4-173.6-177.600104.5
2A50.7Low47.8Very low90 Ų90132.9 Ų132.974%0.74483%0.827SS**  45.7118.961.200000108.6
3E51.6Low48.2Very low198 Ų198128.2 Ų128.293%0.92582%0.821SS**  cis-158.2168.741.5-45.2-162.499.300107
4G42.7Very low48.6Very low76 Ų76131.9 Ų131.978%0.78482%0.822SS**  cis168.8149.117.500000106.2
5G50.9Low49.5Very low78 Ų78135 Ų13580%0.80482%0.823SS**  trans-92.6163.9-174.900000115.3
6V57.7Low50Low154 Ų154133.5 Ų133.593%0.93382%0.817SS**  trans-153.9135.2159.4-163.20000105.1
7G50.8Low50.1Low62 Ų62129.7 Ų129.764%0.63981%0.81SS**  cis131.594.110.200000110.8
8K48.9Very low49.7Very low220 Ų220127.2 Ų127.296%0.95780%0.798SS**  trans60.1146.1145.4-58.7177.687.7-179.90122.9
9G39.3Very low49.5Very low76 Ų76129.7 Ų129.778%0.78481%0.805SS**  trans115.8111.3151.900000112.1
10G38.5Very low49.5Very low75 Ų75131.6 Ų131.677%0.77380%0.803SS**  100.3107.267.600000106.9
11D38.6Very low49.3Very low114 Ų114128.3 Ų128.361%0.6180%0.796SS**  110.1136.286.1173.9-107.9000109.9
12R54.5Low49.2Very low217 Ų217120.5 Ų120.582%0.81978%0.776SS**  trans57.1111.1163.5-66.4165.3-144.3161.821.3116.5
13G52.8Low49.6Very low72 Ų72125.3 Ų125.374%0.74278%0.783SS**  77.9103.164.200000109.7
14E54.7Low50.2Low180 Ų180121.9 Ų121.984%0.84177%0.767SS**  trans-165.195.5155-95.4-111.389.300109.4P16E14-P16 WeakPolarHBondContact O-CD 3.28Å
15E62.2Low51.9Low178 Ų178126.7 Ų126.783%0.83277%0.769SS**  trans-78.4114.3149.8-80.9-93.4112.100107.7G17E15-G17 VanDerWaalsContact C-N 3.28Å; E15-G17 PolarHBondContact O-N 2.89Å; E15-G17 VanDerWaalsContact O-N 3.12Å
16P56.8Low53.6Low111 Ų111126 Ų12672%0.72175%0.752SS**  trans-82.984.9158.230.2-29.2000108.6E14 S18E14-P16 WeakPolarHBondContact O-CD 3.28Å; P16-S18 VanDerWaalsContact C-N 3.26Å; P16-S18 PolarHBondContact O-N 2.76Å
17G51.8Low55.2Low69 Ų69122.1 Ų122.171%0.71172%0.724SS**  trans-61.590.2158.200000109.5E15 L19E15-G17 VanDerWaalsContact C-N 3.28Å; E15-G17 PolarHBondContact O-N 2.89Å; E15-G17 VanDerWaalsContact O-N 3.12Å; G17-L19 PolarHBondContact O-N 3.24Å
18S42.5Very low57.3Low85 Ų85125.1 Ų125.159%0.59472%0.721SS**  trans-93.677.1168.2-143.60000108.9P16 Q20P16-S18 VanDerWaalsContact C-N 3.26Å; P16-S18 PolarHBondContact O-N 2.76Å; S18-Q20 PolarHBondContact O-N 3.28Å; S18-Q20 PolarHBondContact OG-NE2 2.81Å
19L45.5Very low59.5Low175 Ų175115.1 Ų115.192%0.91668%0.681SS**  trans-69.376.4154.9-71.2171.4000107.4G17 G21G17-L19 PolarHBondContact O-N 3.24Å; L19-G21 PolarHBondContact O-N 3.46Å
20Q51.1Low62.2Low166 Ų166113 Ų11378%0.77666%0.656SS**  trans-68.982.7160.8-93161.166.400107.3S18 G22S18-Q20 PolarHBondContact O-N 3.28Å; S18-Q20 PolarHBondContact OG-NE2 2.81Å; Q20-G22 PolarHBondContact O-N 3.32Å
21G44.6Very low64.9Low64 Ų64109.8 Ų109.866%0.6662%0.623SS**  trans-57.9109.4161.600000107.1L19 Q23L19-G21 PolarHBondContact O-N 3.46Å; G21-Q23 PolarHBondContact O-N 3.09Å
22G47.7Very low67.6Low71 Ų71107.8 Ų107.873%0.73261%0.61SS**  trans-50.6116.5-178.100000110.2Q20 Q24Q20-G22 PolarHBondContact O-N 3.32Å; G22-Q24 PolarHBondContact O-N 2.73Å
23Q57.8Low69.7Low191 Ų19197.5 Ų97.589%0.89357%0.571SS**  trans-66.690.9172.7-76.4177.7-26.100107.7G21 Q25G21-Q23 PolarHBondContact O-N 3.09Å; Q23-Q25 PolarHBondContact O-N 2.92Å
24Q64.8Low71.7Confident125 Ų12598.2 Ų98.258%0.58455%0.554SS**  trans-62.9122.2174.2-166.3144.433.900107.9G22 S26G22-Q24 PolarHBondContact O-N 2.73Å; Q24-S26 PolarHBondContact O-N 3.37Å
25Q77.6Confident73.7Confident178 Ų17894.1 Ų94.183%0.83253%0.531SS*.  trans-59.2103.3-174-66.1179.2-19.900110.4Q23Q23-Q25 PolarHBondContact O-N 2.92Å
26S87.2Confident75.3Confident62 Ų6286.9 Ų86.943%0.43450%0.496SS..PPolyproline II helixtrans-87.6128.2173.451.40000109.6Q24Q24-S26 PolarHBondContact O-N 3.37Å
27M92.2Very high77.1Confident73 Ų7384.3 Ų84.336%0.3648%0.477SS..EExtended strand (participates in β ladder)trans-98.4154174.1-69.7-179.9-81.600109.9T85 F86M27-T85 CarbonylContact O-C 3.45Å; M27-T85 WeakPolarHBondContact O-CA 3.03Å; M27-F86 HydrophobicContact CB-CD1 4.29Å; M27-F86 HydrophobicContact CB-CD2 4.42Å; M27-F86 HydrophobicContact CB-CE1 3.81Å; M27-F86 HydrophobicContact CB-CE2 3.97Å; M27-F86 HydrophobicContact CB-CZ 3.63Å; M27-F86 HydrophobicContact CE-CD2 4.14Å; M27-F86 HydrophobicContact CE-CE2 3.48Å; M27-F86 VanDerWaalsContact CE-CE2 3.48Å; M27-F86 HydrophobicContact CE-CZ 4.12Å; M27-F86 PolarHBondContact N-O 3.39Å; M27-F86 WeakPolarHBondContact O-CD1 3.29Å; M27-F86 PolarHBondContact O-N 3Å; M27-F86 HydrophobicContact SD-CE2 4.16Å; M27-F86 HydrophobicContact SD-CZ 4.19Å
28H94.1Very high79.1Confident125 Ų12583 Ų8358%0.57946%0.455SS*.EExtended strand (participates in β ladder)trans-103.6140.8177.6-62.374.8000110.3G51 T85H28-G51 PolarHBondContact O-N 3.46Å; H28-T85 WeakPolarHBondContact CD2-CG2 3.39Å; H28-T85 WeakPolarHBondContact NE2-CG2 3.47Å
29G94.6Very high81.4Confident10 Ų1090 Ų9010%0.10347%0.468CS..EExtended strand (participates in β ladder)trans-148.1161.8179.200000112.4S49 F84G29-S49 CarbonylContact C-O 3.56Å; G29-S49 WeakPolarHBondContact CA-O 3.41Å; G29-F84 PolarHBondContact N-O 3.12Å; G29-F84 PolarHBondContact O-N 2.96Å; G29-F84 VanDerWaalsContact O-O 3.09Å
30A95.6Very high83.8Confident31 Ų3186 Ų8626%0.25645%0.446SS..EExtended strand (participates in β ladder)trans-130.4149.4173.500000109.8T48 S49 L82 E83A30-T48 PolarHBondContact O-N 2.89Å; A30-T48 PolarHBondContact O-OG1 3.42Å; A30-S49 PolarHBondContact N-O 2.99Å; A30-S49 PolarHBondContact O-N 3.43Å; A30-L82 WeakPolarHBondContact CA-O 3.44Å; A30-E83 HydrophobicContact CB-CG 4.42Å
31G95.8Very high85.9Confident9 Ų978.1 Ų78.19%0.09341%0.409CS..EExtended strand (participates in β ladder)trans-176.6-161.6-172.400000112.2S46 P81 L82G31-S46 WeakPolarHBondContact CA-O 3.31Å; G31-P81 WeakPolarHBondContact O-CA 3.13Å; G31-L82 PolarHBondContact N-O 3.38Å; G31-L82 PolarHBondContact O-N 3.12Å
32H96.3Very high88.4Confident72 Ų7278 Ų7833%0.33339%0.39SS..EExtended strand (participates in β ladder)trans-134151.1174.460.2-84000110.8K34 I45 S46 E80H32-K34 PolarHBondContact O-N 3.18Å; H32-I45 WeakPolarHBondContact O-CG2 3.43Å; H32-S46 PolarHBondContact N-O 3.29Å; H32-S46 PolarHBondContact O-N 3.07Å; H32-E80 CarbonylContact C-O 3.53Å; H32-E80 WeakPolarHBondContact CA-O 3.49Å; H32-E80 WeakPolarHBondContact CB-O 3.3Å
33C96.9Very high90.7Very high1 Ų174.6 Ų74.61%0.00736%0.355CS..EExtended strand (participates in β ladder)trans-64119.4175.7-178.10000110L76 R77 G79 E80 L82C33-L76 HydrophobicContact CB-CB 4.13Å; C33-L76 HydrophobicContact CB-CD1 4.26Å; C33-R77 WeakPolarHBondContact CB-O 3.18Å; C33-G79 PolarHBondContact O-N 2.96Å; C33-E80 PolarHBondContact N-O 3.42Å; C33-L82 HydrophobicContact CB-CD1 4.01Å
34K96.3Very high92.6Very high86 Ų8668.2 Ų68.237%0.37433%0.325SS..EExtended strand (participates in β ladder)trans-75.6-47.2177.3-170.1-177.2-174.1164.60110.5H32 F44 D60H32-K34 PolarHBondContact O-N 3.18Å; K34-F44 WeakPolarHBondContact CB-O 3.45Å; K34-F44 PolarHBondContact N-O 3.2Å; K34-D60 WeakPolarHBondContact CD-OD1 3.5Å; K34-D60 IonicContact NZ-OD1 3.54Å; K34-D60 PolarHBondContact NZ-OD1 3.26Å; K34-D60 IonicContact NZ-OD2 2.79Å; K34-D60 PolarHBondContact NZ-OD2 2.79Å
35W95.7Very high94.1Very high95 Ų9562.3 Ų62.336%0.3630%0.297SS..EExtended strand (participates in β ladder)trans-164.8153.517256.3-96.3000109.8N37 F42 G43 F44W35-N37 HydrophobicContact CZ3-CB 4.42Å; W35-F42 HydrophobicContact CH2-CD2 4.15Å; W35-F42 AromaticContact CH2-CE2 3.92Å; W35-F42 HydrophobicContact CH2-CE2 3.92Å; W35-F42 HydrophobicContact CZ3-CD2 4.11Å; W35-F42 HydrophobicContact CZ3-CE2 4.11Å; W35-G43 CarbonylContact O-C 3.51Å; W35-G43 WeakPolarHBondContact O-CA 3.27Å; W35-F44 HydrophobicContact CD2-CD2 4.45Å; W35-F44 AromaticContact CE2-CD2 3.55Å; W35-F44 AromaticContact CH2-CD2 3.55Å; W35-F44 HydrophobicContact CH2-CD2 3.55Å; W35-F44 AromaticContact CH2-CE2 3.74Å; W35-F44 HydrophobicContact CH2-CE2 3.74Å; W35-F44 AromaticContact CZ2-CD2 3.08Å; W35-F44 HydrophobicContact CZ2-CD2 3.08Å; W35-F44 AromaticContact CZ2-CE2 3.45Å; W35-F44 HydrophobicContact CZ2-CE2 3.45Å; W35-F44 VanDerWaalsContact CZ2-CE2 3.45Å; W35-F44 HydrophobicContact CZ2-CG 4.18Å; W35-F44 HydrophobicContact CZ3-CD2 4.39Å; W35-F44 PolarHBondContact N-O 2.8Å; W35-F44 PolarHBondContact O-N 3.32Å
36F96.6Very high95Very high25 Ų2554.3 Ų54.311%0.1126%0.261CS..EExtended strand (participates in β ladder)trans-140.2123.4176.2-170.2-91.8000110.9V38 V63 Q65 L68 L76F36-V38 HydrophobicContact CD1-CG2 4.04Å; F36-V38 HydrophobicContact CE1-CG2 4.49Å; F36-V38 PolarHBondContact O-N 3.4Å; F36-V63 HydrophobicContact CD2-CG1 4.4Å; F36-Q65 HydrophobicContact CZ-CB 4.11Å; F36-L68 HydrophobicContact CE2-CD1 4.01Å; F36-L68 HydrophobicContact CZ-CD1 4.01Å; F36-L76 HydrophobicContact CB-CB 4.01Å; F36-L76 HydrophobicContact CD2-CB 4.1Å; F36-L76 HydrophobicContact CD2-CD1 4.21Å; F36-L76 HydrophobicContact CD2-CG 4.23Å; F36-L76 HydrophobicContact CG-CB 4.04Å
37N95.2Very high95.5Very high57 Ų5751.4 Ų51.431%0.30524%0.241SC..EExtended strand (participates in β ladder)trans-87.3100.4174.5-168.2-49.5000109.9W35 R39 M40 G41 F42W35-N37 HydrophobicContact CZ3-CB 4.42Å; N37-R39 PolarHBondContact O-N 3.14Å; N37-R39 WeakPolarHBondContact OD1-CB 3.11Å; N37-R39 PolarHBondContact OD1-N 3.49Å; N37-M40 HydrophobicContact CB-CB 4.21Å; N37-M40 HydrophobicContact CB-CE 3.96Å; N37-M40 HydrophobicContact CB-CG 4.48Å; N37-M40 WeakPolarHBondContact ND2-CE 3.33Å; N37-M40 PolarHBondContact O-N 3.46Å; N37-M40 PolarHBondContact OD1-N 3.42Å; N37-G41 PolarHBondContact O-N 3.14Å; N37-F42 PolarHBondContact N-O 2.83Å
38V93.4Very high95.7Very high41 Ų4150.9 Ų50.925%0.24824%0.242CC..THydrogen-bonded Turntrans-59.5-30.8-179.5-1790000113.5F36 F73 S109F36-V38 HydrophobicContact CD1-CG2 4.04Å; F36-V38 HydrophobicContact CE1-CG2 4.49Å; F36-V38 PolarHBondContact O-N 3.4Å; V38-F73 HydrophobicContact CG1-CE1 3.31Å; V38-F73 HydrophobicContact CG1-CZ 3.34Å; V38-S109 WeakPolarHBondContact CG2-OG 3.3Å
39R91.4Very high95.6Very high233 Ų23346.1 Ų46.188%0.87922%0.223SC*.THydrogen-bonded Turntrans-76.2-39.1179.4-170.9177.481.7174.14.7111.6N37N37-R39 PolarHBondContact O-N 3.14Å; N37-R39 WeakPolarHBondContact OD1-CB 3.11Å; N37-R39 PolarHBondContact OD1-N 3.49Å
40M94.8Very high95.6Very high92 Ų9252 Ų5245%0.45324%0.242SC..THydrogen-bonded Turntrans-90.1-15.7-178.2-57.2-162.2-66.100113.3N37 F42N37-M40 HydrophobicContact CB-CB 4.21Å; N37-M40 HydrophobicContact CB-CE 3.96Å; N37-M40 HydrophobicContact CB-CG 4.48Å; N37-M40 WeakPolarHBondContact ND2-CE 3.33Å; N37-M40 PolarHBondContact O-N 3.46Å; N37-M40 PolarHBondContact OD1-N 3.42Å; M40-F42 HydrophobicContact CB-CD1 3.53Å; M40-F42 HydrophobicContact CB-CE1 3.36Å; M40-F42 HydrophobicContact CB-CG 4.5Å; M40-F42 HydrophobicContact CB-CZ 4.22Å; M40-F42 HydrophobicContact CE-CD1 4.39Å; M40-F42 HydrophobicContact CE-CE1 3.43Å; M40-F42 VanDerWaalsContact CE-CE1 3.43Å; M40-F42 HydrophobicContact CE-CE2 3.73Å; M40-F42 HydrophobicContact CE-CZ 3.03Å; M40-F42 HydrophobicContact CG-CE1 4.1Å; M40-F42 HydrophobicContact SD-CE1 3.65Å; M40-F42 HydrophobicContact SD-CZ 3.8Å
41G95.3Very high95.1Very high0 Ų053.5 Ų53.50%026%0.261CS..THydrogen-bonded Turntrans74.225.9177.800000114N37 H64 Q65N37-G41 PolarHBondContact O-N 3.14Å; G41-H64 PolarHBondContact O-CD2 3.39Å; G41-Q65 VanDerWaalsContact CA-OE1 3.22Å; G41-Q65 VanDerWaalsContact O-CB 3.29Å; G41-Q65 WeakPolarHBondContact O-CB 3.45Å; G41-Q65 WeakPolarHBondContact O-CG 3.19Å; G41-Q65 PolarHBondContact O-N 2.72Å
42F96.2Very high94.6Very high60 Ų6056.3 Ų56.326%0.26329%0.289SS..EExtended strand (participates in β ladder)trans-145.5161.8177.269.7-101.9000112.3W35 N37 M40 F62 V63W35-F42 HydrophobicContact CH2-CD2 4.15Å; W35-F42 AromaticContact CH2-CE2 3.92Å; W35-F42 HydrophobicContact CH2-CE2 3.92Å; W35-F42 HydrophobicContact CZ3-CD2 4.11Å; W35-F42 HydrophobicContact CZ3-CE2 4.11Å; N37-F42 PolarHBondContact N-O 2.83Å; M40-F42 HydrophobicContact CB-CD1 3.53Å; M40-F42 HydrophobicContact CB-CE1 3.36Å; M40-F42 HydrophobicContact CB-CG 4.5Å; M40-F42 HydrophobicContact CB-CZ 4.22Å; M40-F42 HydrophobicContact CE-CD1 4.39Å; M40-F42 HydrophobicContact CE-CE1 3.43Å; M40-F42 VanDerWaalsContact CE-CE1 3.43Å; M40-F42 HydrophobicContact CE-CE2 3.73Å; M40-F42 HydrophobicContact CE-CZ 3.03Å; M40-F42 HydrophobicContact CG-CE1 4.1Å; M40-F42 HydrophobicContact SD-CE1 3.65Å; M40-F42 HydrophobicContact SD-CZ 3.8Å; F42-F62 HydrophobicContact CB-CE2 3.94Å; F42-F62 HydrophobicContact CB-CZ 4.02Å; F42-F62 HydrophobicContact CD2-CE2 4Å; F42-F62 HydrophobicContact CG-CE2 4.2Å; F42-V63 CarbonylContact C-O 3.53Å; F42-V63 VanDerWaalsContact CA-O 3.26Å; F42-V63 WeakPolarHBondContact CA-O 3.38Å; F42-V63 WeakPolarHBondContact CB-O 3.3Å
43G96.8Very high94.3Very high0 Ų057.4 Ų57.40%030%0.301CS..EExtended strand (participates in β ladder)trans-164.7-166.4-17800000112.9W35 V63W35-G43 CarbonylContact O-C 3.51Å; W35-G43 WeakPolarHBondContact O-CA 3.27Å; G43-V63 VanDerWaalsContact C-CG1 3.43Å; G43-V63 PolarHBondContact N-O 3.1Å; G43-V63 WeakPolarHBondContact O-CG1 3.06Å; G43-V63 PolarHBondContact O-N 2.71Å
44F97.4Very high94Very high58 Ų5862.6 Ų62.625%0.25434%0.335SS..EExtended strand (participates in β ladder)trans-131.7146.5172.4-75-99.7000110.9K34 W35 D60 V61 F62K34-F44 WeakPolarHBondContact CB-O 3.45Å; K34-F44 PolarHBondContact N-O 3.2Å; W35-F44 HydrophobicContact CD2-CD2 4.45Å; W35-F44 AromaticContact CE2-CD2 3.55Å; W35-F44 AromaticContact CH2-CD2 3.55Å; W35-F44 HydrophobicContact CH2-CD2 3.55Å; W35-F44 AromaticContact CH2-CE2 3.74Å; W35-F44 HydrophobicContact CH2-CE2 3.74Å; W35-F44 AromaticContact CZ2-CD2 3.08Å; W35-F44 HydrophobicContact CZ2-CD2 3.08Å; W35-F44 AromaticContact CZ2-CE2 3.45Å; W35-F44 HydrophobicContact CZ2-CE2 3.45Å; W35-F44 VanDerWaalsContact CZ2-CE2 3.45Å; W35-F44 HydrophobicContact CZ2-CG 4.18Å; W35-F44 HydrophobicContact CZ3-CD2 4.39Å; W35-F44 PolarHBondContact N-O 2.8Å; W35-F44 PolarHBondContact O-N 3.32Å; F44-D60 HydrophobicContact CD1-CB 4Å; F44-V61 CarbonylContact C-O 3.55Å; F44-V61 VanDerWaalsContact CA-O 3.3Å; F44-V61 WeakPolarHBondContact CA-O 3.5Å; F44-F62 HydrophobicContact CD1-CB 4.47Å; F44-F62 HydrophobicContact CE1-CB 4.08Å; F44-F62 HydrophobicContact CE1-CD2 4.39Å; F44-F62 HydrophobicContact CE2-CD2 4.15Å; F44-F62 HydrophobicContact CZ-CB 4.49Å; F44-F62 AromaticContact CZ-CD2 4Å; F44-F62 HydrophobicContact CZ-CD2 4Å
45I97.2Very high93.8Very high0 Ų060.2 Ų60.20%033%0.328CS..EExtended strand (participates in β ladder)trans-110.2132.5173.8-59.8171.4000107.2H32 M47 V61 V63 L76 L82 F84 V98H32-I45 WeakPolarHBondContact O-CG2 3.43Å; I45-M47 PolarHBondContact O-N 2.87Å; I45-V61 HydrophobicContact CB-CB 4.46Å; I45-V61 PolarHBondContact N-O 3.16Å; I45-V61 PolarHBondContact O-N 3.43Å; I45-V63 HydrophobicContact CD1-CB 3.97Å; I45-V63 HydrophobicContact CD1-CG1 4.13Å; I45-V63 HydrophobicContact CD1-CG2 4.24Å; I45-V63 HydrophobicContact CG1-CB 4.22Å; I45-V63 HydrophobicContact CG1-CG1 3.87Å; I45-L76 HydrophobicContact CD1-CD1 4.39Å; I45-L76 HydrophobicContact CG1-CD1 4.39Å; I45-L82 HydrophobicContact CD1-CD1 4.26Å; I45-L82 HydrophobicContact CG1-CD1 4.46Å; I45-F84 HydrophobicContact CB-CE1 4.46Å; I45-F84 HydrophobicContact CD1-CD1 4.18Å; I45-F84 HydrophobicContact CD1-CG 4.42Å; I45-F84 HydrophobicContact CG2-CD1 3.99Å; I45-F84 HydrophobicContact CG2-CE1 3.45Å; I45-F84 VanDerWaalsContact CG2-CE1 3.45Å; I45-F84 HydrophobicContact CG2-CZ 3.99Å; I45-V98 HydrophobicContact CD1-CG1 3.91Å; I45-V98 HydrophobicContact CD1-CG2 3.89Å
46S97Very high93.5Very high11 Ų1163.1 Ų63.18%0.07735%0.35CS..EExtended strand (participates in β ladder)trans-85.7106.6170.5-172.20000108.3G31 H32 T48 P58G31-S46 WeakPolarHBondContact CA-O 3.31Å; H32-S46 PolarHBondContact N-O 3.29Å; H32-S46 PolarHBondContact O-N 3.07Å; S46-T48 PolarHBondContact O-N 2.98Å; S46-P58 WeakPolarHBondContact OG-CB 3.15Å
47M96.4Very high93.2Very high0 Ų066.7 Ų66.70%038%0.376CS..EExtended strand (participates in β ladder)trans-77120.1178.6-175.2166.857.700109.7I45 S49 R50 P58 M59 V61 F84 F86 L93I45-M47 PolarHBondContact O-N 2.87Å; M47-S49 WeakPolarHBondContact CG-O 3.3Å; M47-R50 HydrophobicContact SD-CB 4.29Å; M47-P58 WeakPolarHBondContact O-CA 2.93Å; M47-P58 VanDerWaalsContact O-CB 3.27Å; M47-P58 WeakPolarHBondContact O-CB 3.25Å; M47-M59 HydrophobicContact CB-CB 4.45Å; M47-M59 WeakPolarHBondContact CB-O 3.33Å; M47-M59 HydrophobicContact CE-CB 3.81Å; M47-M59 HydrophobicContact CE-CG 4.21Å; M47-M59 HydrophobicContact CE-SD 3.81Å; M47-M59 PolarHBondContact N-O 3.46Å; M47-M59 PolarHBondContact O-N 3.38Å; M47-V61 HydrophobicContact CB-CG2 4.04Å; M47-V61 HydrophobicContact CE-CG2 4.39Å; M47-V61 HydrophobicContact SD-CG2 4.43Å; M47-F84 HydrophobicContact CB-CZ 3.82Å; M47-F84 HydrophobicContact CG-CE2 4.4Å; M47-F84 HydrophobicContact CG-CZ 3.78Å; M47-F84 HydrophobicContact SD-CE2 4.04Å; M47-F84 HydrophobicContact SD-CZ 4.02Å; M47-F86 HydrophobicContact CE-CE1 4.23Å; M47-F86 HydrophobicContact CE-CE2 4.31Å; M47-F86 HydrophobicContact CE-CZ 3.83Å; M47-F86 HydrophobicContact SD-CD1 4.11Å; M47-F86 HydrophobicContact SD-CE1 3.41Å; M47-F86 WeakPolarHBondContact SD-CE1 3.16Å; M47-F86 HydrophobicContact SD-CE2 4.49Å; M47-F86 HydrophobicContact SD-CZ 3.63Å; M47-L93 HydrophobicContact CE-CD1 4Å
48T95.8Very high93.1Very high63 Ų6367 Ų6739%0.38738%0.381SS..EExtended strand (participates in β ladder)trans-106.4-20.8179.159.10000112.3A30 S46 P54 V55A30-T48 PolarHBondContact O-N 2.89Å; A30-T48 PolarHBondContact O-OG1 3.42Å; S46-T48 PolarHBondContact O-N 2.98Å; T48-P54 WeakPolarHBondContact O-CA 3.33Å; T48-V55 PolarHBondContact O-N 3.34Å
49S93.8Very high93.1Very high25 Ų2568.8 Ų68.818%0.17539%0.388CS..EExtended strand (participates in β ladder)trans-139.7137178.1-179.70000110.8G29 A30 M47 G52 T53G29-S49 CarbonylContact C-O 3.56Å; G29-S49 WeakPolarHBondContact CA-O 3.41Å; A30-S49 PolarHBondContact N-O 2.99Å; A30-S49 PolarHBondContact O-N 3.43Å; M47-S49 WeakPolarHBondContact CG-O 3.3Å; S49-G52 WeakPolarHBondContact OG-CA 3.4Å; S49-T53 CarbonylContact C-O 3.58Å; S49-T53 VanDerWaalsContact CA-O 3.29Å; S49-T53 WeakPolarHBondContact CA-O 3.5Å; S49-T53 PolarHBondContact OG-O 3Å
50R93.3Very high93.3Very high132 Ų13261.2 Ų61.250%0.49836%0.364SS..EExtended strand (participates in β ladder)trans-120.5117.2175.5-175.7-17974.2-179.13.9108.7M47 G52 T53 V55 F86M47-R50 HydrophobicContact SD-CB 4.29Å; R50-G52 PolarHBondContact O-N 3.4Å; R50-G52 VanDerWaalsContact O-N 3.16Å; R50-T53 PolarHBondContact N-O 2.85Å; R50-T53 PolarHBondContact O-N 3.41Å; R50-V55 HydrophobicContact CB-CG2 3.68Å; R50-F86 HydrophobicContact CG-CE1 4.41Å; R50-F86 HydrophobicContact CG-CZ 4.03Å
51G86.7Confident93.4Very high64 Ų6456.8 Ų56.866%0.6634%0.343SS*.THydrogen-bonded Turntrans53.733.9-178.700000113.8H28 T53H28-G51 PolarHBondContact O-N 3.46Å; G51-T53 VanDerWaalsContact C-N 3.32Å; G51-T53 PolarHBondContact O-N 2.94Å
52G83.8Confident93.5Very high67 Ų6758.6 Ų58.669%0.69135%0.351SS*.THydrogen-bonded Turntrans84.4-5-177.200000115.4S49 R50S49-G52 WeakPolarHBondContact OG-CA 3.4Å; R50-G52 PolarHBondContact O-N 3.4Å; R50-G52 VanDerWaalsContact O-N 3.16Å
53T90.8Very high93.5Very high95 Ų9555.7 Ų55.758%0.58334%0.338SS*.EExtended strand (participates in β ladder)trans-94.6127.8175.2-50.80000110.1S49 R50 G51S49-T53 CarbonylContact C-O 3.58Å; S49-T53 VanDerWaalsContact CA-O 3.29Å; S49-T53 WeakPolarHBondContact CA-O 3.5Å; S49-T53 PolarHBondContact OG-O 3Å; R50-T53 PolarHBondContact N-O 2.85Å; R50-T53 PolarHBondContact O-N 3.41Å; G51-T53 VanDerWaalsContact C-N 3.32Å; G51-T53 PolarHBondContact O-N 2.94Å
54P91.1Very high93.5Very high111 Ų11158.9 Ų58.972%0.72135%0.353SS*.EExtended strand (participates in β ladder)trans-62.5141.6175.126.4-33.1000110.8T48T48-P54 WeakPolarHBondContact O-CA 3.33Å
55V91.2Very high93.4Very high36 Ų3659.6 Ų59.622%0.21836%0.357CS..EExtended strand (participates in β ladder)trans-118.1121.7-179.3-174.10000109T48 R50 M59T48-V55 PolarHBondContact O-N 3.34Å; R50-V55 HydrophobicContact CB-CG2 3.68Å; V55-M59 HydrophobicContact CG1-CG 4.12Å; V55-M59 HydrophobicContact CG1-SD 4.33Å
56D89.8Confident93.4Very high155 Ų15563 Ų6383%0.82938%0.381SS*.EExtended strand (participates in β ladder)trans-129.7120.2173.8-174.126.6000108.9
57P90.6Very high93.3Very high100 Ų10066.2 Ų66.265%0.64939%0.393SS*.EExtended strand (participates in β ladder)cis-73.3153.31.131-35.7000113.5M59P57-M59 PolarHBondContact O-N 2.85Å
58P91.9Very high93.3Very high64 Ų6466.3 Ų66.342%0.41639%0.394SS..EExtended strand (participates in β ladder)trans-63.1138.6176.826.8-34.2000110.9S46 M47S46-P58 WeakPolarHBondContact OG-CB 3.15Å; M47-P58 WeakPolarHBondContact O-CA 2.93Å; M47-P58 VanDerWaalsContact O-CB 3.27Å; M47-P58 WeakPolarHBondContact O-CB 3.25Å
59M94.1Very high93.2Very high79 Ų7967.9 Ų67.939%0.38940%0.396SS..EExtended strand (participates in β ladder)trans-96.9141.6-176.6-59.2-178.378.900111M47 V55 P57 L93M47-M59 HydrophobicContact CB-CB 4.45Å; M47-M59 WeakPolarHBondContact CB-O 3.33Å; M47-M59 HydrophobicContact CE-CB 3.81Å; M47-M59 HydrophobicContact CE-CG 4.21Å; M47-M59 HydrophobicContact CE-SD 3.81Å; M47-M59 PolarHBondContact N-O 3.46Å; M47-M59 PolarHBondContact O-N 3.38Å; V55-M59 HydrophobicContact CG1-CG 4.12Å; V55-M59 HydrophobicContact CG1-SD 4.33Å; P57-M59 PolarHBondContact O-N 2.85Å; M59-L93 HydrophobicContact CB-CD1 4.19Å; M59-L93 HydrophobicContact CE-CD1 3.73Å; M59-L93 HydrophobicContact SD-CD1 4.19Å
60D95.6Very high93.2Very high73 Ų7367.8 Ų67.839%0.3939%0.394SS..EExtended strand (participates in β ladder)trans-83.9125.4176.3-74.2-22.4000110.6K34 F44K34-D60 WeakPolarHBondContact CD-OD1 3.5Å; K34-D60 IonicContact NZ-OD1 3.54Å; K34-D60 PolarHBondContact NZ-OD1 3.26Å; K34-D60 IonicContact NZ-OD2 2.79Å; K34-D60 PolarHBondContact NZ-OD2 2.79Å; F44-D60 HydrophobicContact CD1-CB 4Å
61V96.6Very high92.9Very high0 Ų070.3 Ų70.30%041%0.411CS..EExtended strand (participates in β ladder)trans-114.8123.9177.9-178.20000109.2F44 I45 M47 F84 F86 L93F44-V61 CarbonylContact C-O 3.55Å; F44-V61 VanDerWaalsContact CA-O 3.3Å; F44-V61 WeakPolarHBondContact CA-O 3.5Å; I45-V61 HydrophobicContact CB-CB 4.46Å; I45-V61 PolarHBondContact N-O 3.16Å; I45-V61 PolarHBondContact O-N 3.43Å; M47-V61 HydrophobicContact CB-CG2 4.04Å; M47-V61 HydrophobicContact CE-CG2 4.39Å; M47-V61 HydrophobicContact SD-CG2 4.43Å; V61-F84 HydrophobicContact CB-CE2 4.24Å; V61-F84 HydrophobicContact CG1-CD2 4.38Å; V61-F84 HydrophobicContact CG1-CE2 4.11Å; V61-F84 HydrophobicContact CG2-CE2 3.88Å; V61-F84 HydrophobicContact CG2-CZ 4.21Å; V61-F86 HydrophobicContact CG1-CB 3.92Å; V61-L93 HydrophobicContact CB-CB 4.43Å; V61-L93 HydrophobicContact CG1-CB 4.32Å; V61-L93 HydrophobicContact CG2-CB 4.03Å; V61-L93 HydrophobicContact CG2-CD1 4.08Å
62F97.3Very high93.1Very high37 Ų3770.6 Ų70.616%0.16241%0.414CS..EExtended strand (participates in β ladder)trans-69.3134177.1176.5-105.2000110.6F42 F44 H64 L93 E94 S95F42-F62 HydrophobicContact CB-CE2 3.94Å; F42-F62 HydrophobicContact CB-CZ 4.02Å; F42-F62 HydrophobicContact CD2-CE2 4Å; F42-F62 HydrophobicContact CG-CE2 4.2Å; F44-F62 HydrophobicContact CD1-CB 4.47Å; F44-F62 HydrophobicContact CE1-CB 4.08Å; F44-F62 HydrophobicContact CE1-CD2 4.39Å; F44-F62 HydrophobicContact CE2-CD2 4.15Å; F44-F62 HydrophobicContact CZ-CB 4.49Å; F44-F62 AromaticContact CZ-CD2 4Å; F44-F62 HydrophobicContact CZ-CD2 4Å; F62-H64 HydrophobicContact CE1-CB 4.28Å; F62-L93 WeakPolarHBondContact CB-O 3.47Å; F62-L93 PolarHBondContact N-O 2.68Å; F62-E94 HydrophobicContact CD1-CG 4.08Å; F62-S95 WeakPolarHBondContact O-CB 3.37Å; F62-S95 PolarHBondContact O-N 2.99Å; F62-S95 PolarHBondContact O-OG 2.82Å
63V97Very high93.4Very high0 Ų071.5 Ų71.50%040%0.399CS..EExtended strand (participates in β ladder)trans-128.113617758.20000111.6F36 F42 G43 I45 L68 L76 S95 V98F36-V63 HydrophobicContact CD2-CG1 4.4Å; F42-V63 CarbonylContact C-O 3.53Å; F42-V63 VanDerWaalsContact CA-O 3.26Å; F42-V63 WeakPolarHBondContact CA-O 3.38Å; F42-V63 WeakPolarHBondContact CB-O 3.3Å; G43-V63 VanDerWaalsContact C-CG1 3.43Å; G43-V63 PolarHBondContact N-O 3.1Å; G43-V63 WeakPolarHBondContact O-CG1 3.06Å; G43-V63 PolarHBondContact O-N 2.71Å; I45-V63 HydrophobicContact CD1-CB 3.97Å; I45-V63 HydrophobicContact CD1-CG1 4.13Å; I45-V63 HydrophobicContact CD1-CG2 4.24Å; I45-V63 HydrophobicContact CG1-CB 4.22Å; I45-V63 HydrophobicContact CG1-CG1 3.87Å; V63-L68 HydrophobicContact CG2-CD2 3.63Å; V63-L76 HydrophobicContact CG1-CD1 4.13Å; V63-L76 HydrophobicContact CG2-CD1 4.3Å; V63-S95 WeakPolarHBondContact CA-OG 3.2Å; V63-V98 HydrophobicContact CG2-CG2 3.74Å
64H97.1Very high93.5Very high66 Ų6671.4 Ų71.431%0.30639%0.388SS..EExtended strand (participates in β ladder)trans-112.9147.4173.1-173.5-101.8000110.8G41 F62 S66 K67G41-H64 PolarHBondContact O-CD2 3.39Å; F62-H64 HydrophobicContact CE1-CB 4.28Å; H64-S66 WeakPolarHBondContact ND1-CB 3.44Å; H64-S66 PolarHBondContact ND1-N 2.69Å; H64-S66 PolarHBondContact ND1-OG 2.85Å; H64-S66 PolarHBondContact O-N 3.39Å; H64-S66 VanDerWaalsContact O-N 3.07Å; H64-K67 HydrophobicContact CB-CG 4.4Å; H64-K67 WeakPolarHBondContact O-CB 3.44Å; H64-K67 PolarHBondContact O-N 2.94Å
65Q95.4Very high93.7Very high74 Ų7466.3 Ų66.335%0.34636%0.355SS..G310 helixtrans-56.2-30.1-176.665.5170.839.300113.3F36 G41 K67 L68 R74F36-Q65 HydrophobicContact CZ-CB 4.11Å; G41-Q65 VanDerWaalsContact CA-OE1 3.22Å; G41-Q65 VanDerWaalsContact O-CB 3.29Å; G41-Q65 WeakPolarHBondContact O-CB 3.45Å; G41-Q65 WeakPolarHBondContact O-CG 3.19Å; G41-Q65 PolarHBondContact O-N 2.72Å; Q65-K67 PolarHBondContact O-N 2.83Å; Q65-L68 PolarHBondContact O-N 2.99Å; Q65-R74 HydrophobicContact CB-CB 4.22Å; Q65-R74 WeakPolarHBondContact O-CD 3.4Å
66S95.6Very high93.8Very high72 Ų7264.8 Ų64.850%0.50335%0.345SS..G310 helixtrans-69-16.3179.763.40000113.4H64H64-S66 WeakPolarHBondContact ND1-CB 3.44Å; H64-S66 PolarHBondContact ND1-N 2.69Å; H64-S66 PolarHBondContact ND1-OG 2.85Å; H64-S66 PolarHBondContact O-N 3.39Å; H64-S66 VanDerWaalsContact O-N 3.07Å
67K95.8Very high94Very high77 Ų7762.9 Ų62.934%0.33533%0.326SS..G310 helixtrans-95.8-6.7-179-49.2-53.6-160.2164.40112.8H64 Q65 V96 V98H64-K67 HydrophobicContact CB-CG 4.4Å; H64-K67 WeakPolarHBondContact O-CB 3.44Å; H64-K67 PolarHBondContact O-N 2.94Å; Q65-K67 PolarHBondContact O-N 2.83Å; K67-V96 WeakPolarHBondContact CD-O 3.19Å; K67-V98 PolarHBondContact O-N 3.3Å
68L96.1Very high94.2Very high3 Ų365.2 Ų65.22%0.01633%0.329CS..BIsolated β-bridgetrans-78124.6-179.7-59.2-177.7000110.8F36 V63 Q65 M70 R74 L76 V98F36-L68 HydrophobicContact CE2-CD1 4.01Å; F36-L68 HydrophobicContact CZ-CD1 4.01Å; V63-L68 HydrophobicContact CG2-CD2 3.63Å; Q65-L68 PolarHBondContact O-N 2.99Å; L68-M70 HydrophobicContact CB-CG 4.36Å; L68-M70 HydrophobicContact CB-SD 4.22Å; L68-M70 HydrophobicContact CD1-SD 4.29Å; L68-M70 PolarHBondContact O-N 2.83Å; L68-R74 HydrophobicContact CB-CB 4.28Å; L68-R74 HydrophobicContact CD1-CB 4.15Å; L68-R74 PolarHBondContact O-NH1 2.87Å; L68-L76 HydrophobicContact CD1-CD2 4.27Å; L68-L76 HydrophobicContact CD1-CG 3.9Å; L68-L76 HydrophobicContact CD2-CD1 3.73Å; L68-L76 HydrophobicContact CD2-CD2 3.73Å; L68-L76 HydrophobicContact CD2-CG 3.66Å; L68-L76 HydrophobicContact CG-CG 4.46Å; L68-V98 HydrophobicContact CD2-CB 3.8Å; L68-V98 HydrophobicContact CD2-CG1 3.97Å; L68-V98 HydrophobicContact CD2-CG2 4.22Å
69H93.9Very high94.4Very high95 Ų9564.4 Ų64.444%0.4433%0.332SS..  trans-80.394.4173-168.476.2000109.7V98 T99 P105 C106H69-V98 WeakPolarHBondContact CB-O 3.43Å; H69-V98 PolarHBondContact N-O 3.43Å; H69-T99 HydrophobicContact CB-CG2 3.69Å; H69-P105 VanDerWaalsContact O-CA 3.27Å; H69-P105 WeakPolarHBondContact O-CA 3.46Å; H69-C106 PolarHBondContact O-N 3.02Å
70M92.8Very high94.4Very high23 Ų2361 Ų6111%0.11332%0.315CS..  trans-164.3164.4173.862.6-164.2-52.900110.6L68 R74 S75 C106L68-M70 HydrophobicContact CB-CG 4.36Å; L68-M70 HydrophobicContact CB-SD 4.22Å; L68-M70 HydrophobicContact CD1-SD 4.29Å; L68-M70 PolarHBondContact O-N 2.83Å; M70-R74 HydrophobicContact CG-CB 4.06Å; M70-R74 HydrophobicContact CG-CG 3.78Å; M70-R74 PolarHBondContact O-NH1 3.13Å; M70-R74 PolarHBondContact O-NH2 2.89Å; M70-R74 WeakPolarHBondContact SD-CA 3.49Å; M70-R74 HydrophobicContact SD-CB 4.04Å; M70-R74 HydrophobicContact SD-CG 4.42Å; M70-S75 PolarHBondContact SD-N 2.87Å; M70-C106 HydrophobicContact CB-CB 4.46Å; M70-C106 HydrophobicContact CE-CB 4.39Å; M70-C106 HydrophobicContact SD-CB 3.99Å
71E88.9Confident94.4Very high186 Ų18660.4 Ų60.487%0.86932%0.315SS*.SBendtrans-95.3153.4175.1-63.7-174.2169.100111.5
72G89.8Confident94.4Very high69 Ų6960.4 Ų60.471%0.71132%0.315SS*.SBendtrans70.3-130.8177.300000114.1R74G72-R74 PolarHBondContact O-N 3.08Å
73F89.7Confident94.3Very high87 Ų8762.2 Ų62.238%0.38232%0.324SS..SBendtrans-80.1107.5-174-176.9-102.2000111.3V38 S75V38-F73 HydrophobicContact CG1-CE1 3.31Å; V38-F73 HydrophobicContact CG1-CZ 3.34Å; F73-S75 PolarHBondContact O-N 3.1Å
74R93.3Very high94.3Very high93 Ų9362.6 Ų62.635%0.35133%0.326SS..  trans-79.3116-171.6-56.8-178.4-168.2-88.4-13112.1Q65 L68 M70 G72Q65-R74 HydrophobicContact CB-CB 4.22Å; Q65-R74 WeakPolarHBondContact O-CD 3.4Å; L68-R74 HydrophobicContact CB-CB 4.28Å; L68-R74 HydrophobicContact CD1-CB 4.15Å; L68-R74 PolarHBondContact O-NH1 2.87Å; M70-R74 HydrophobicContact CG-CB 4.06Å; M70-R74 HydrophobicContact CG-CG 3.78Å; M70-R74 PolarHBondContact O-NH1 3.13Å; M70-R74 PolarHBondContact O-NH2 2.89Å; M70-R74 WeakPolarHBondContact SD-CA 3.49Å; M70-R74 HydrophobicContact SD-CB 4.04Å; M70-R74 HydrophobicContact SD-CG 4.42Å; G72-R74 PolarHBondContact O-N 3.08Å
75S94.6Very high94.2Very high4 Ų460.3 Ų60.33%0.02832%0.317CS..  trans-151.9167.1175.758.90000111M70 F73 G108 S109M70-S75 PolarHBondContact SD-N 2.87Å; F73-S75 PolarHBondContact O-N 3.1Å; S75-G108 WeakPolarHBondContact O-CA 3.45Å; S75-S109 PolarHBondContact OG-N 2.87Å; S75-S109 PolarHBondContact OG-OG 2.99Å
76L94.9Very high94.2Very high3 Ų356.9 Ų56.92%0.01630%0.301CS..  trans-119.3148.8172.3-68.2177.5000110.4C33 F36 I45 V63 L68 L82 C106C33-L76 HydrophobicContact CB-CB 4.13Å; C33-L76 HydrophobicContact CB-CD1 4.26Å; F36-L76 HydrophobicContact CB-CB 4.01Å; F36-L76 HydrophobicContact CD2-CB 4.1Å; F36-L76 HydrophobicContact CD2-CD1 4.21Å; F36-L76 HydrophobicContact CD2-CG 4.23Å; F36-L76 HydrophobicContact CG-CB 4.04Å; I45-L76 HydrophobicContact CD1-CD1 4.39Å; I45-L76 HydrophobicContact CG1-CD1 4.39Å; V63-L76 HydrophobicContact CG1-CD1 4.13Å; V63-L76 HydrophobicContact CG2-CD1 4.3Å; L68-L76 HydrophobicContact CD1-CD2 4.27Å; L68-L76 HydrophobicContact CD1-CG 3.9Å; L68-L76 HydrophobicContact CD2-CD1 3.73Å; L68-L76 HydrophobicContact CD2-CD2 3.73Å; L68-L76 HydrophobicContact CD2-CG 3.66Å; L68-L76 HydrophobicContact CG-CG 4.46Å; L76-L82 HydrophobicContact CD1-CD1 3.68Å; L76-L82 HydrophobicContact CD2-CD1 3.68Å; L76-L82 HydrophobicContact CD2-CD2 3.94Å; L76-L82 HydrophobicContact CD2-CG 4.48Å; L76-L82 HydrophobicContact CG-CD1 4.23Å; L76-C106 HydrophobicContact CD2-CB 3.81Å
77R94Very high94.1Very high115 Ų11555.4 Ų55.443%0.43429%0.286SS..  trans-89.3137.5169.6170.1178.8178.4155.35.9109.9C33 G79 E80 G108 E110C33-R77 WeakPolarHBondContact CB-O 3.18Å; R77-G79 PolarHBondContact O-N 3.12Å; R77-E80 HydrophobicContact CB-CB 4.09Å; R77-E80 PolarHBondContact N-OE2 3.22Å; R77-E80 WeakPolarHBondContact O-CB 3.47Å; R77-E80 PolarHBondContact O-N 2.82Å; R77-G108 WeakPolarHBondContact CB-O 3.38Å; R77-E110 IonicContact CZ-OE1 3.93Å; R77-E110 IonicContact NH1-OE1 2.73Å; R77-E110 PolarHBondContact NH1-OE1 3.19Å; R77-E110 IonicContact NH2-OE1 2.82Å
78E94.7Very high94Very high150 Ų15057.7 Ų57.770%0.70130%0.299SS*.THydrogen-bonded Turntrans-59.8131.6173.2-174.9174.1174.200111.1E80E78-E80 VanDerWaalsContact C-N 3.26Å; E78-E80 PolarHBondContact O-N 3.41Å
79G94.6Very high93.8Very high46 Ų4658.4 Ų58.447%0.47430%0.304SS..THydrogen-bonded Turntrans77.21.6-174.700000115.1C33 R77C33-G79 PolarHBondContact O-N 2.96Å; R77-G79 PolarHBondContact O-N 3.12Å
80E94.9Very high93.7Very high7 Ų760.8 Ų60.83%0.03333%0.328CS..  trans-65.4127.6176.6-179.6177.9167.400111H32 C33 R77 E78 L82 C106 L107 G108H32-E80 CarbonylContact C-O 3.53Å; H32-E80 WeakPolarHBondContact CA-O 3.49Å; H32-E80 WeakPolarHBondContact CB-O 3.3Å; C33-E80 PolarHBondContact N-O 3.42Å; R77-E80 HydrophobicContact CB-CB 4.09Å; R77-E80 PolarHBondContact N-OE2 3.22Å; R77-E80 WeakPolarHBondContact O-CB 3.47Å; R77-E80 PolarHBondContact O-N 2.82Å; E78-E80 VanDerWaalsContact C-N 3.26Å; E78-E80 PolarHBondContact O-N 3.41Å; E80-L82 HydrophobicContact CG-CD2 3.9Å; E80-L82 HydrophobicContact CG-CG 4.17Å; E80-L82 WeakPolarHBondContact OE1-CD2 3.27Å; E80-C106 WeakPolarHBondContact OE1-CA 3.49Å; E80-L107 HydrophobicContact CG-CB 4.48Å; E80-L107 HydrophobicContact CG-CD1 4.01Å; E80-L107 HydrophobicContact CG-CG 4.37Å; E80-L107 WeakPolarHBondContact OE1-CB 3.22Å; E80-L107 PolarHBondContact OE1-N 2.99Å; E80-G108 PolarHBondContact OE2-N 3.43Å
81P95.3Very high93.5Very high61 Ų6170 Ų7040%0.39636%0.361SS..EExtended strand (participates in β ladder)trans-75.4131.8175.832-34.7000110.7G31 L101G31-P81 WeakPolarHBondContact O-CA 3.13Å; P81-L101 HydrophobicContact CB-CD1 3.88Å; P81-L101 HydrophobicContact CB-CD2 4.01Å; P81-L101 HydrophobicContact CB-CG 3.97Å; P81-L101 HydrophobicContact CG-CD1 3.65Å; P81-L101 HydrophobicContact CG-CG 4.03Å
82L95.9Very high93.7Very high0 Ų062.4 Ų62.40%033%0.333CS..EExtended strand (participates in β ladder)trans-139.9151.2-169.9-62165.4000110.9A30 G31 C33 I45 L76 E80 V98 T99A30-L82 WeakPolarHBondContact CA-O 3.44Å; G31-L82 PolarHBondContact N-O 3.38Å; G31-L82 PolarHBondContact O-N 3.12Å; C33-L82 HydrophobicContact CB-CD1 4.01Å; I45-L82 HydrophobicContact CD1-CD1 4.26Å; I45-L82 HydrophobicContact CG1-CD1 4.46Å; L76-L82 HydrophobicContact CD1-CD1 3.68Å; L76-L82 HydrophobicContact CD2-CD1 3.68Å; L76-L82 HydrophobicContact CD2-CD2 3.94Å; L76-L82 HydrophobicContact CD2-CG 4.48Å; L76-L82 HydrophobicContact CG-CD1 4.23Å; E80-L82 HydrophobicContact CG-CD2 3.9Å; E80-L82 HydrophobicContact CG-CG 4.17Å; E80-L82 WeakPolarHBondContact OE1-CD2 3.27Å; L82-V98 HydrophobicContact CB-CG1 4.24Å; L82-V98 HydrophobicContact CD1-CG1 4.03Å; L82-V98 HydrophobicContact CD2-CG1 4.28Å; L82-V98 HydrophobicContact CG-CG1 4.41Å; L82-T99 WeakPolarHBondContact CA-O 3.46Å; L82-T99 WeakPolarHBondContact CD2-O 3.4Å
83E96.1Very high94Very high76 Ų7660.2 Ų60.236%0.35531%0.305SS..EExtended strand (participates in β ladder)trans-111141167.4-71.9173.4-155.200108.6A30 T99 G102A30-E83 HydrophobicContact CB-CG 4.42Å; E83-T99 PolarHBondContact N-O 3.02Å; E83-T99 PolarHBondContact O-N 3.43Å; E83-T99 PolarHBondContact O-OG1 3.45Å; E83-G102 PolarHBondContact OE1-N 2.95Å
84F96.1Very high94.3Very high8 Ų858.8 Ų58.84%0.03530%0.3CS..EExtended strand (participates in β ladder)trans-152.6153.9-176.655.6-87.9000112.4G29 I45 M47 V61 F86 Q97 V98G29-F84 PolarHBondContact N-O 3.12Å; G29-F84 PolarHBondContact O-N 2.96Å; G29-F84 VanDerWaalsContact O-O 3.09Å; I45-F84 HydrophobicContact CB-CE1 4.46Å; I45-F84 HydrophobicContact CD1-CD1 4.18Å; I45-F84 HydrophobicContact CD1-CG 4.42Å; I45-F84 HydrophobicContact CG2-CD1 3.99Å; I45-F84 HydrophobicContact CG2-CE1 3.45Å; I45-F84 VanDerWaalsContact CG2-CE1 3.45Å; I45-F84 HydrophobicContact CG2-CZ 3.99Å; M47-F84 HydrophobicContact CB-CZ 3.82Å; M47-F84 HydrophobicContact CG-CE2 4.4Å; M47-F84 HydrophobicContact CG-CZ 3.78Å; M47-F84 HydrophobicContact SD-CE2 4.04Å; M47-F84 HydrophobicContact SD-CZ 4.02Å; V61-F84 HydrophobicContact CB-CE2 4.24Å; V61-F84 HydrophobicContact CG1-CD2 4.38Å; V61-F84 HydrophobicContact CG1-CE2 4.11Å; V61-F84 HydrophobicContact CG2-CE2 3.88Å; V61-F84 HydrophobicContact CG2-CZ 4.21Å; F84-F86 HydrophobicContact CD2-CB 4.17Å; F84-F86 AromaticContact CD2-CD1 3.87Å; F84-F86 HydrophobicContact CD2-CD1 3.87Å; F84-F86 HydrophobicContact CD2-CG 4.44Å; F84-F86 HydrophobicContact CE2-CB 4.35Å; F84-F86 AromaticContact CE2-CD1 3.62Å; F84-F86 HydrophobicContact CE2-CD1 3.62Å; F84-F86 HydrophobicContact CE2-CE1 4.29Å; F84-F86 HydrophobicContact CE2-CG 4.25Å; F84-Q97 CarbonylContact C-O 3.53Å; F84-Q97 WeakPolarHBondContact CA-O 3.43Å; F84-Q97 VanDerWaalsContact CB-O 3.26Å; F84-Q97 WeakPolarHBondContact CB-O 3.22Å; F84-V98 HydrophobicContact CB-CB 4.29Å; F84-V98 HydrophobicContact CB-CG1 4.36Å; F84-V98 HydrophobicContact CB-CG2 3.91Å
85T95.6Very high94.4Very high18 Ų1854.4 Ų54.411%0.1128%0.283CS..EExtended strand (participates in β ladder)trans-98.1140.7162.428.60000109.4M27 H28 S95 V96 Q97M27-T85 CarbonylContact O-C 3.45Å; M27-T85 WeakPolarHBondContact O-CA 3.03Å; H28-T85 WeakPolarHBondContact CD2-CG2 3.39Å; H28-T85 WeakPolarHBondContact NE2-CG2 3.47Å; T85-S95 CarbonylContact O-C 3.51Å; T85-S95 WeakPolarHBondContact O-CA 3.38Å; T85-V96 PolarHBondContact O-N 3.41Å; T85-Q97 PolarHBondContact N-O 3.06Å; T85-Q97 PolarHBondContact O-N 2.72Å; T85-Q97 WeakPolarHBondContact OG1-CB 3.46Å
86F95.1Very high94.5Very high2 Ų256.4 Ų56.41%0.00930%0.295CS..EExtended strand (participates in β ladder)trans-137.6156.7179.367.7-84.4000111.2M27 M47 R50 V61 F84 L93 E94M27-F86 HydrophobicContact CB-CD1 4.29Å; M27-F86 HydrophobicContact CB-CD2 4.42Å; M27-F86 HydrophobicContact CB-CE1 3.81Å; M27-F86 HydrophobicContact CB-CE2 3.97Å; M27-F86 HydrophobicContact CB-CZ 3.63Å; M27-F86 HydrophobicContact CE-CD2 4.14Å; M27-F86 HydrophobicContact CE-CE2 3.48Å; M27-F86 VanDerWaalsContact CE-CE2 3.48Å; M27-F86 HydrophobicContact CE-CZ 4.12Å; M27-F86 PolarHBondContact N-O 3.39Å; M27-F86 WeakPolarHBondContact O-CD1 3.29Å; M27-F86 PolarHBondContact O-N 3Å; M27-F86 HydrophobicContact SD-CE2 4.16Å; M27-F86 HydrophobicContact SD-CZ 4.19Å; M47-F86 HydrophobicContact CE-CE1 4.23Å; M47-F86 HydrophobicContact CE-CE2 4.31Å; M47-F86 HydrophobicContact CE-CZ 3.83Å; M47-F86 HydrophobicContact SD-CD1 4.11Å; M47-F86 HydrophobicContact SD-CE1 3.41Å; M47-F86 WeakPolarHBondContact SD-CE1 3.16Å; M47-F86 HydrophobicContact SD-CE2 4.49Å; M47-F86 HydrophobicContact SD-CZ 3.63Å; R50-F86 HydrophobicContact CG-CE1 4.41Å; R50-F86 HydrophobicContact CG-CZ 4.03Å; V61-F86 HydrophobicContact CG1-CB 3.92Å; F84-F86 HydrophobicContact CD2-CB 4.17Å; F84-F86 AromaticContact CD2-CD1 3.87Å; F84-F86 HydrophobicContact CD2-CD1 3.87Å; F84-F86 HydrophobicContact CD2-CG 4.44Å; F84-F86 HydrophobicContact CE2-CB 4.35Å; F84-F86 AromaticContact CE2-CD1 3.62Å; F84-F86 HydrophobicContact CE2-CD1 3.62Å; F84-F86 HydrophobicContact CE2-CE1 4.29Å; F84-F86 HydrophobicContact CE2-CG 4.25Å; F86-L93 HydrophobicContact CD2-CB 4.3Å; F86-L93 HydrophobicContact CD2-CD1 4.32Å; F86-L93 HydrophobicContact CD2-CD2 3.9Å; F86-L93 HydrophobicContact CD2-CG 4.41Å; F86-L93 HydrophobicContact CE2-CD1 4.11Å; F86-L93 HydrophobicContact CE2-CD2 3.9Å; F86-E94 CarbonylContact C-O 3.46Å; F86-E94 WeakPolarHBondContact CA-O 3.39Å; F86-E94 WeakPolarHBondContact CB-O 3.42Å
87Q94.6Very high94.5Very high41 Ų4161.2 Ų61.219%0.19232%0.318CS..EExtended strand (participates in β ladder)trans-129.9157.117761.6177.785.100110E94 V96Q87-E94 PolarHBondContact N-O 3.16Å; Q87-E94 PolarHBondContact O-N 3.32Å; Q87-V96 HydrophobicContact CB-CG2 4.05Å; Q87-V96 HydrophobicContact CG-CG2 3.76Å; Q87-V96 VanDerWaalsContact OE1-CG2 3.25Å
88M92.9Very high94.6Very high125 Ų12555.7 Ų55.762%0.61630%0.297SS*.EExtended strand (participates in β ladder)trans-78.3124.4170.5-169.865.8177.300109.1L93M88-L93 HydrophobicContact SD-CD2 3.76Å
89S91.6Very high94.7Very high17 Ų1749.3 Ų49.312%0.11927%0.268CS..EExtended strand (participates in β ladder)trans-119.9166.7173.684.60000110.4R91 G92S89-R91 PolarHBondContact O-N 3.01Å; S89-R91 PolarHBondContact OG-N 2.94Å; S89-G92 PolarHBondContact N-O 3.44Å; S89-G92 PolarHBondContact O-N 2.98Å; S89-G92 PolarHBondContact OG-O 3.48Å; S89-G92 VanDerWaalsContact OG-O 3.08Å
90P91.6Very high94.7Very high145 Ų14547.4 Ų47.494%0.94225%0.249SC*.THydrogen-bonded Turntrans-58.3-17.6176-2434.2000113.8
91R90.1Very high94.6Very high216 Ų21652.2 Ų52.282%0.81527%0.274SS*.THydrogen-bonded Turntrans-97.8-0.2-179.7-60.8-179.565.9-167.3-0.5113.2S89S89-R91 PolarHBondContact O-N 3.01Å; S89-R91 PolarHBondContact OG-N 2.94Å
92G92.9Very high94.3Very high27 Ų2752.7 Ų52.728%0.27829%0.29SS..EExtended strand (participates in β ladder)trans115.7-155.3-175.100000112.5S89S89-G92 PolarHBondContact N-O 3.44Å; S89-G92 PolarHBondContact O-N 2.98Å; S89-G92 PolarHBondContact OG-O 3.48Å; S89-G92 VanDerWaalsContact OG-O 3.08Å
93L95.1Very high94.1Very high24 Ų2454.5 Ų54.513%0.12631%0.308CS..EExtended strand (participates in β ladder)trans-77.2127.3178.2-59.2-178.9000110.3M47 M59 V61 F62 F86 M88M47-L93 HydrophobicContact CE-CD1 4Å; M59-L93 HydrophobicContact CB-CD1 4.19Å; M59-L93 HydrophobicContact CE-CD1 3.73Å; M59-L93 HydrophobicContact SD-CD1 4.19Å; V61-L93 HydrophobicContact CB-CB 4.43Å; V61-L93 HydrophobicContact CG1-CB 4.32Å; V61-L93 HydrophobicContact CG2-CB 4.03Å; V61-L93 HydrophobicContact CG2-CD1 4.08Å; F62-L93 WeakPolarHBondContact CB-O 3.47Å; F62-L93 PolarHBondContact N-O 2.68Å; F86-L93 HydrophobicContact CD2-CB 4.3Å; F86-L93 HydrophobicContact CD2-CD1 4.32Å; F86-L93 HydrophobicContact CD2-CD2 3.9Å; F86-L93 HydrophobicContact CD2-CG 4.41Å; F86-L93 HydrophobicContact CE2-CD1 4.11Å; F86-L93 HydrophobicContact CE2-CD2 3.9Å; M88-L93 HydrophobicContact SD-CD2 3.76Å
94E96Very high93.9Very high56 Ų5652 Ų5226%0.26230%0.303SS..EExtended strand (participates in β ladder)trans-125135.3179.4172.3170.9-169.700111F62 F86 Q87F62-E94 HydrophobicContact CD1-CG 4.08Å; F86-E94 CarbonylContact C-O 3.46Å; F86-E94 WeakPolarHBondContact CA-O 3.39Å; F86-E94 WeakPolarHBondContact CB-O 3.42Å; Q87-E94 PolarHBondContact N-O 3.16Å; Q87-E94 PolarHBondContact O-N 3.32Å
95S96.1Very high93.8Very high1 Ų156 Ų561%0.00733%0.33CS..EExtended strand (participates in β ladder)trans-70.7132.5176.170.20000111.7F62 V63 T85F62-S95 WeakPolarHBondContact O-CB 3.37Å; F62-S95 PolarHBondContact O-N 2.99Å; F62-S95 PolarHBondContact O-OG 2.82Å; V63-S95 WeakPolarHBondContact CA-OG 3.2Å; T85-S95 CarbonylContact O-C 3.51Å; T85-S95 WeakPolarHBondContact O-CA 3.38Å
96V96Very high93.7Very high47 Ų4755.6 Ų55.629%0.28533%0.328SS..EExtended strand (participates in β ladder)trans-88.2-43.6170.5-177.90000110.6K67 T85 Q87K67-V96 WeakPolarHBondContact CD-O 3.19Å; T85-V96 PolarHBondContact O-N 3.41Å; Q87-V96 HydrophobicContact CB-CG2 4.05Å; Q87-V96 HydrophobicContact CG-CG2 3.76Å; Q87-V96 VanDerWaalsContact OE1-CG2 3.25Å
97Q95.1Very high93.5Very high103 Ų10361.6 Ų61.648%0.48136%0.359SS..EExtended strand (participates in β ladder)trans-150139.1177.8-177.5174.9-69.500109.2F84 T85 T99F84-Q97 CarbonylContact C-O 3.53Å; F84-Q97 WeakPolarHBondContact CA-O 3.43Å; F84-Q97 VanDerWaalsContact CB-O 3.26Å; F84-Q97 WeakPolarHBondContact CB-O 3.22Å; T85-Q97 PolarHBondContact N-O 3.06Å; T85-Q97 PolarHBondContact O-N 2.72Å; T85-Q97 WeakPolarHBondContact OG1-CB 3.46Å; Q97-T99 HydrophobicContact CG-CG2 4.47Å
98V96.7Very high93.2Very high0 Ų059.9 Ų59.90%035%0.353CS..EExtended strand (participates in β ladder)trans-126.7128.2178.8-176.70000109.2I45 V63 K67 L68 H69 L82 F84I45-V98 HydrophobicContact CD1-CG1 3.91Å; I45-V98 HydrophobicContact CD1-CG2 3.89Å; V63-V98 HydrophobicContact CG2-CG2 3.74Å; K67-V98 PolarHBondContact O-N 3.3Å; L68-V98 HydrophobicContact CD2-CB 3.8Å; L68-V98 HydrophobicContact CD2-CG1 3.97Å; L68-V98 HydrophobicContact CD2-CG2 4.22Å; H69-V98 WeakPolarHBondContact CB-O 3.43Å; H69-V98 PolarHBondContact N-O 3.43Å; L82-V98 HydrophobicContact CB-CG1 4.24Å; L82-V98 HydrophobicContact CD1-CG1 4.03Å; L82-V98 HydrophobicContact CD2-CG1 4.28Å; L82-V98 HydrophobicContact CG-CG1 4.41Å; F84-V98 HydrophobicContact CB-CB 4.29Å; F84-V98 HydrophobicContact CB-CG1 4.36Å; F84-V98 HydrophobicContact CB-CG2 3.91Å
99T96.6Very high92.9Very high16 Ų1654.9 Ų54.910%0.09833%0.33CS..EExtended strand (participates in β ladder)trans-125.6162.5178.254.60000109.9H69 L82 E83 Q97H69-T99 HydrophobicContact CB-CG2 3.69Å; L82-T99 WeakPolarHBondContact CA-O 3.46Å; L82-T99 WeakPolarHBondContact CD2-O 3.4Å; E83-T99 PolarHBondContact N-O 3.02Å; E83-T99 PolarHBondContact O-N 3.43Å; E83-T99 PolarHBondContact O-OG1 3.45Å; Q97-T99 HydrophobicContact CG-CG2 4.47Å
100G95Very high92.1Very high6 Ų660.8 Ų60.86%0.06236%0.356CS..EExtended strand (participates in β ladder)trans-65175.6162.600000111.4G102 G103 G104G100-G102 PolarHBondContact O-N 3.03Å; G100-G103 PolarHBondContact O-N 3.38Å; G100-G103 VanDerWaalsContact O-N 3.16Å; G100-G104 PolarHBondContact N-O 2.72Å
101L91.4Very high90.9Very high107 Ų10765 Ų6556%0.5635%0.353SS*.G310 helixtrans-52.7135.7171.7-67.1179.1000111.1P81 G103 G104P81-L101 HydrophobicContact CB-CD1 3.88Å; P81-L101 HydrophobicContact CB-CD2 4.01Å; P81-L101 HydrophobicContact CB-CG 3.97Å; P81-L101 HydrophobicContact CG-CD1 3.65Å; P81-L101 HydrophobicContact CG-CG 4.03Å; L101-G103 PolarHBondContact O-N 3.19Å; L101-G104 PolarHBondContact O-N 3.3Å
102G89.7Confident89.5Confident72 Ų7262.9 Ų62.974%0.74235%0.345SS*.G310 helixtrans65.722.3-179.900000114.6E83 G100 G104E83-G102 PolarHBondContact OE1-N 2.95Å; G100-G102 PolarHBondContact O-N 3.03Å; G102-G104 VanDerWaalsContact C-N 3.32Å; G102-G104 PolarHBondContact O-N 2.83Å
103G91.3Very high87.8Confident37 Ų3769.5 Ų69.538%0.38137%0.369SS..G310 helixtrans79.1917800000115.3G100 L101G100-G103 PolarHBondContact O-N 3.38Å; G100-G103 VanDerWaalsContact O-N 3.16Å; L101-G103 PolarHBondContact O-N 3.19Å
104G93Very high85.9Confident24 Ų2477.3 Ų77.325%0.24740%0.402CS..PPolyproline II helixtrans-68.2173.4176.500000113.9G100 L101 G102G100-G104 PolarHBondContact N-O 2.72Å; L101-G104 PolarHBondContact O-N 3.3Å; G102-G104 VanDerWaalsContact C-N 3.32Å; G102-G104 PolarHBondContact O-N 2.83Å
105P93.8Very high84.1Confident93 Ų9379.6 Ų79.660%0.60442%0.421SS*.PPolyproline II helixtrans-67.5149.417229.9-34.4000111.2H69H69-P105 VanDerWaalsContact O-CA 3.27Å; H69-P105 WeakPolarHBondContact O-CA 3.46Å
106C93.8Very high82.3Confident8 Ų888.3 Ų88.35%0.05446%0.459CS..PPolyproline II helixtrans-65.6143.4173.2-52.30000110.5H69 M70 L76 E80H69-C106 PolarHBondContact O-N 3.02Å; M70-C106 HydrophobicContact CB-CB 4.46Å; M70-C106 HydrophobicContact CE-CB 4.39Å; M70-C106 HydrophobicContact SD-CB 3.99Å; L76-C106 HydrophobicContact CD2-CB 3.81Å; E80-C106 WeakPolarHBondContact OE1-CA 3.49Å
107L90.4Very high80.6Confident128 Ų12890 Ų9067%0.6747%0.471SS*.  trans-64.2-44.6177.4-63.6173.4000111.3E80E80-L107 HydrophobicContact CG-CB 4.48Å; E80-L107 HydrophobicContact CG-CD1 4.01Å; E80-L107 HydrophobicContact CG-CG 4.37Å; E80-L107 WeakPolarHBondContact OE1-CB 3.22Å; E80-L107 PolarHBondContact OE1-N 2.99Å
108G88.9Confident78.9Confident6 Ų690.8 Ų90.86%0.06249%0.485CS..  trans78.4170.2-179.500000115.3S75 R77 E80 E110S75-G108 WeakPolarHBondContact O-CA 3.45Å; R77-G108 WeakPolarHBondContact CB-O 3.38Å; E80-G108 PolarHBondContact OE2-N 3.43Å; G108-E110 PolarHBondContact O-N 3.22Å
109S85.3Confident77.3Confident20 Ų2094.1 Ų94.114%0.1451%0.513CS..  trans-71.1126.2-173.166.30000112.3V38 S75 R111V38-S109 WeakPolarHBondContact CG2-OG 3.3Å; S75-S109 PolarHBondContact OG-N 2.87Å; S75-S109 PolarHBondContact OG-OG 2.99Å; S109-R111 PolarHBondContact O-N 3.32Å
110E74.9Confident75.5Confident141 Ų14198.1 Ų98.166%0.65954%0.539SS*.G310 helixtrans-54.5-24174.2-14393.386.500112.2R77 G108 R112R77-E110 IonicContact CZ-OE1 3.93Å; R77-E110 IonicContact NH1-OE1 2.73Å; R77-E110 PolarHBondContact NH1-OE1 3.19Å; R77-E110 IonicContact NH2-OE1 2.82Å; G108-E110 PolarHBondContact O-N 3.22Å; E110-R112 VanDerWaalsContact C-N 3.28Å; E110-R112 PolarHBondContact O-N 2.81Å
111R66.6Low73.8Confident232 Ų232107 Ų10788%0.87558%0.579SS**G310 helixtrans-74.4-8.5-167.2-164.9173.9-71.9-115.83.2114.4S109S109-R111 PolarHBondContact O-N 3.32Å
112R61.4Low72.2Confident172 Ų172109.5 Ų109.565%0.64959%0.588SS**G310 helixtrans-134.845.1176.7-153.4169178.8-138-0114.1E110E110-R112 VanDerWaalsContact C-N 3.28Å; E110-R112 PolarHBondContact O-N 2.81Å
113Q55.9Low70.5Confident167 Ų167116 Ų11678%0.7859%0.59SS**  trans-128.355.4151.8-59.3-171.821.500109.4P115Q113-P115 VanDerWaalsContact C-CD 3.43Å; Q113-P115 WeakPolarHBondContact O-CD 3.26Å
114K55.2Low68.5Low188 Ų188125 Ų12582%0.81761%0.612SS**  trans-8199149.1-137.6165.1-172.6172.80103.7K116K114-K116 PolarHBondContact O-N 2.96Å; K114-K116 VanDerWaalsContact O-N 3.1Å
115P59.6Low66.8Low104 Ų104130.6 Ų130.668%0.67563%0.63SS**  trans-46.8129.1156.921.2-30.1000104.6Q113 P117Q113-P115 VanDerWaalsContact C-CD 3.43Å; Q113-P115 WeakPolarHBondContact O-CD 3.26Å; P115-P117 VanDerWaalsContact O-CD 3.25Å; P115-P117 WeakPolarHBondContact O-CD 3.26Å
116K56.6Low64.9Low183 Ų183131.2 Ų131.280%0.79663%0.634SS**  trans-44.5114169.7-177176.3-175.8175.20103.8K114 P118K114-K116 PolarHBondContact O-N 2.96Å; K114-K116 VanDerWaalsContact O-N 3.1Å; K116-P118 VanDerWaalsContact O-N 3.11Å
117P61.9Low63.3Low83 Ų83140.4 Ų140.454%0.53967%0.673SS.*  trans-50.3133.3177.919.1-29.5000104.4P115 A119P115-P117 VanDerWaalsContact O-CD 3.25Å; P115-P117 WeakPolarHBondContact O-CD 3.26Å; P117-A119 PolarHBondContact O-N 2.79Å
118P59.7Low61.9Low120 Ų120136 Ų13678%0.77966%0.659SS**  trans-44.7121.4176.418.8-30.5000104.9K116K116-P118 VanDerWaalsContact O-N 3.11Å
119A62.8Low61.1Low70 Ų70139.5 Ų139.558%0.57968%0.676SS**  trans-43124.9-173.100000105.6P117 Q121P117-A119 PolarHBondContact O-N 2.79Å; A119-Q121 PolarHBondContact O-N 2.71Å
120P57.6Low61.1Low100 Ų100142.9 Ų142.965%0.64969%0.686SS**  trans-50.2120-170.717-29000106Q122P120-Q122 HydrophobicContact CB-CB 4.23Å; P120-Q122 HydrophobicContact CB-CG 4Å; P120-Q122 PolarHBondContact O-N 2.88Å
121Q59.6Low61.7Low193 Ų193136.3 Ų136.390%0.90266%0.655SS**  trans-66.737.6165.8-74.8176.7-57.200108.9A119 R123A119-Q121 PolarHBondContact O-N 2.71Å; Q121-R123 PolarHBondContact O-N 2.98Å
122Q57.3Low62.6Low159 Ų159131.2 Ų131.274%0.74364%0.637SS**  trans-73.380.6157.7-68.4-58.5-39.700104.9P120 W124P120-Q122 HydrophobicContact CB-CB 4.23Å; P120-Q122 HydrophobicContact CB-CG 4Å; P120-Q122 PolarHBondContact O-N 2.88Å; Q122-W124 VanDerWaalsContact C-N 3.33Å; Q122-W124 PolarHBondContact O-N 3.49Å
123R55.6Low63.8Low209 Ų209124.1 Ų124.179%0.78961%0.612SS**  trans2.489.2149.1-70.8172.6165.2-114.84.3109.2Q121 K125Q121-R123 PolarHBondContact O-N 2.98Å; R123-K125 PolarHBondContact O-N 3.38Å
124W48.7Very low65.3Low225 Ų225118.1 Ų118.185%0.85259%0.588SS**  trans-64.690.7159.1-144.761.8000102.6Q122 P126Q122-W124 VanDerWaalsContact C-N 3.33Å; Q122-W124 PolarHBondContact O-N 3.49Å; W124-P126 WeakPolarHBondContact O-CD 3.17Å
125K57.3Low66.6Low142 Ų142110.4 Ų110.462%0.61756%0.562SS**  trans-45.2119167.4-121.493160.8-170.60101.8R123 K127R123-K125 PolarHBondContact O-N 3.38Å; K125-K127 PolarHBondContact O-N 2.95Å
126P54.3Low67.8Low106 Ų106106.6 Ų106.669%0.68854%0.541SS*.  trans-50.9127.5172.120.5-28.9000104.7W124 G128W124-P126 WeakPolarHBondContact O-CD 3.17Å; P126-G128 PolarHBondContact O-N 3.2Å
127K59.3Low69.2Low200 Ų200103.6 Ų103.687%0.8753%0.533SS*.  trans-70.658.4173-163.3176.7-177.2-173.90106.5K125K125-K127 PolarHBondContact O-N 2.95Å
128G61.9Low70.3Confident36 Ų36107.1 Ų107.137%0.37155%0.548SS..  trans-79.7118.9178.100000105.5P126 R130P126-G128 PolarHBondContact O-N 3.2Å; G128-R130 VanDerWaalsContact O-CG 3.3Å; G128-R130 WeakPolarHBondContact O-CG 3.45Å; G128-R130 PolarHBondContact O-N 2.82Å
129D72.6Confident71.6Confident80 Ų80103.6 Ų103.643%0.42852%0.521SS..  trans-6582.4-179.9-149.4-3.1000107.9Y132 H140D129-Y132 PolarHBondContact OD1-OH 3.18Å; D129-H140 WeakPolarHBondContact CB-NE2 3.25Å; D129-H140 IonicContact OD2-CD2 3.39Å; D129-H140 PolarHBondContact OD2-CD2 3.2Å; D129-H140 IonicContact OD2-CE1 3.87Å; D129-H140 IonicContact OD2-NE2 2.71Å; D129-H140 PolarHBondContact OD2-NE2 2.8Å
130R84.4Confident72.8Confident91 Ų91103.5 Ų103.534%0.34351%0.508SS..  trans-65.9142.3-177.2-44.4-166.8-155.9148.614.9108.2G128 Y132 G136 L137G128-R130 VanDerWaalsContact O-CG 3.3Å; G128-R130 WeakPolarHBondContact O-CG 3.45Å; G128-R130 PolarHBondContact O-N 2.82Å; R130-Y132 PolarHBondContact O-N 2.86Å; R130-G136 WeakPolarHBondContact CA-O 3.29Å; R130-L137 HydrophobicContact CB-CD2 4.37Å; R130-L137 HydrophobicContact CG-CD2 3.65Å
131C86.7Confident74.3Confident2 Ų2100.8 Ų100.81%0.01449%0.494CS..  trans-50.2118.9172.21770000110.9N133 C134 G135 G136 H139 C144C131-N133 PolarHBondContact O-N 2.82Å; C131-N133 VanDerWaalsContact O-N 3.16Å; C131-N133 PolarHBondContact SG-N 3.31Å; C131-N133 VanDerWaalsContact SG-N 3.43Å; C131-C134 PolarHBondContact SG-N 2.95Å; C131-C134 VanDerWaalsContact SG-N 3.37Å; C131-G135 WeakPolarHBondContact O-CA 3.41Å; C131-G135 PolarHBondContact O-N 2.85Å; C131-G136 PolarHBondContact N-O 2.91Å; C131-H139 WeakPolarHBondContact CA-O 3.48Å; C131-H139 VanDerWaalsContact CB-O 3.3Å; C131-H139 WeakPolarHBondContact CB-O 3.24Å; C131-H139 PolarHBondContact N-O 3.47Å; C131-H139 VanDerWaalsContact SG-CD2 3.55Å; C131-H139 PolarHBondContact SG-NE2 2.85Å; C131-C144 VanDerWaalsContact SG-SG 3.63Å
132Y86.5Confident75.7Confident125 Ų12599.8 Ų99.849%0.4949%0.487SS..THydrogen-bonded Turntrans-65.7-16.3179-60.9-67.1000113.5D129 R130 H154D129-Y132 PolarHBondContact OD1-OH 3.18Å; R130-Y132 PolarHBondContact O-N 2.86Å; Y132-H154 AromaticContact CD1-CE1 3.33Å; Y132-H154 WeakPolarHBondContact CD1-CE1 3.36Å; Y132-H154 AromaticContact CD1-ND1 3.5Å; Y132-H154 WeakPolarHBondContact CD1-ND1 3.21Å; Y132-H154 AromaticContact CE1-CE1 3.79Å; Y132-H154 AromaticContact CE1-ND1 3.72Å
133N86.4Confident77.2Confident23 Ų2397.9 Ų97.912%0.12348%0.478CS..THydrogen-bonded Turntrans-85.8-62.4176.5-162.635.8000111.5C131 A141 C144 L146 P147 Q149C131-N133 PolarHBondContact O-N 2.82Å; C131-N133 VanDerWaalsContact O-N 3.16Å; C131-N133 PolarHBondContact SG-N 3.31Å; C131-N133 VanDerWaalsContact SG-N 3.43Å; N133-A141 HydrophobicContact CB-CB 4.22Å; N133-C144 HydrophobicContact CB-CB 4.07Å; N133-L146 PolarHBondContact ND2-O 2.88Å; N133-P147 PolarHBondContact ND2-O 3.44Å; N133-P147 VanDerWaalsContact ND2-O 3.12Å; N133-Q149 WeakPolarHBondContact OD1-CB 3.39Å; N133-Q149 PolarHBondContact OD1-N 2.9Å
134C87.5Confident78.8Confident42 Ų4288.9 Ų88.928%0.28445%0.447SS..THydrogen-bonded Turntrans-103.3-23.4-173.575.20000114.7C131 G136 H139 C144 L146 K152C131-C134 PolarHBondContact SG-N 2.95Å; C131-C134 VanDerWaalsContact SG-N 3.37Å; C134-G136 PolarHBondContact SG-N 3.47Å; C134-H139 PolarHBondContact SG-CE1 2.94Å; C134-H139 PolarHBondContact SG-NE2 3.16Å; C134-C144 VanDerWaalsContact SG-SG 3.68Å; C134-L146 HydrophobicContact CB-CD1 3.65Å; C134-K152 PolarHBondContact O-NZ 3.5Å
135G82.4Confident80.8Confident26 Ų2683.8 Ų83.827%0.26845%0.445SS..  trans88.55.3-175.400000115.5C131C131-G135 WeakPolarHBondContact O-CA 3.41Å; C131-G135 PolarHBondContact O-N 2.85Å
136G85.8Confident82.2Confident24 Ų2481.3 Ų81.325%0.24744%0.439CS..  trans-60.4155.2171.900000112.5R130 C131 C134R130-G136 WeakPolarHBondContact CA-O 3.29Å; C131-G136 PolarHBondContact N-O 2.91Å; C134-G136 PolarHBondContact SG-N 3.47Å
137L85.3Confident83.9Confident119 Ų11980.4 Ų80.462%0.62343%0.433SS*.SBendtrans-95.7-14.7-175.6-60.4-179000113.5R130R130-L137 HydrophobicContact CB-CD2 4.37Å; R130-L137 HydrophobicContact CG-CD2 3.65Å
138D84.3Confident85.3Confident157 Ų15776.8 Ų76.884%0.8443%0.43SS*.SBendtrans-102.45.3-169-51.9-69.6000114.1
139H86.9Confident86.5Confident46 Ų4679.5 Ų79.521%0.21343%0.433CS..  trans-156.8159.2177.662.6-86.4000112.2C131 C134 E143 C144C131-H139 WeakPolarHBondContact CA-O 3.48Å; C131-H139 VanDerWaalsContact CB-O 3.3Å; C131-H139 WeakPolarHBondContact CB-O 3.24Å; C131-H139 PolarHBondContact N-O 3.47Å; C131-H139 VanDerWaalsContact SG-CD2 3.55Å; C131-H139 PolarHBondContact SG-NE2 2.85Å; C134-H139 PolarHBondContact SG-CE1 2.94Å; C134-H139 PolarHBondContact SG-NE2 3.16Å; H139-E143 HydrophobicContact CB-CB 4.13Å; H139-C144 PolarHBondContact NE2-SG 2.95Å
140H88.9Confident87.2Confident68 Ų6880.3 Ų80.332%0.31544%0.442SS..  trans-91163.4168.8-68.490.8000111.3D129 K142 E143 C144D129-H140 WeakPolarHBondContact CB-NE2 3.25Å; D129-H140 IonicContact OD2-CD2 3.39Å; D129-H140 PolarHBondContact OD2-CD2 3.2Å; D129-H140 IonicContact OD2-CE1 3.87Å; D129-H140 IonicContact OD2-NE2 2.71Å; D129-H140 PolarHBondContact OD2-NE2 2.8Å; H140-K142 HydrophobicContact CB-CG 4.29Å; H140-K142 PolarHBondContact O-N 2.88Å; H140-E143 PolarHBondContact O-N 2.83Å; H140-C144 PolarHBondContact O-N 2.98Å
141A88.3Confident87.2Confident43 Ų4383.8 Ų83.836%0.35546%0.46SS..G310 helixtrans-55.5-25.4-177.200000114.8N133 E143 C144N133-A141 HydrophobicContact CB-CB 4.22Å; A141-E143 VanDerWaalsContact C-N 3.26Å; A141-E143 PolarHBondContact O-N 2.83Å; A141-C144 WeakPolarHBondContact O-CB 3.5Å; A141-C144 PolarHBondContact O-N 2.89Å
142K89Confident87.3Confident172 Ų17286.2 Ų86.275%0.74847%0.47SS*.G310 helixtrans-69.2-21.6176.372.6-166.9-174.8-164.70113.9H140H140-K142 HydrophobicContact CB-CG 4.29Å; H140-K142 PolarHBondContact O-N 2.88Å
143E88.4Confident87.4Confident119 Ų11980.2 Ų80.256%0.55645%0.447SS*.G310 helixtrans-111.28.2-178.9-73.8154.1-137.800111.4H139 H140 A141 S145H139-E143 HydrophobicContact CB-CB 4.13Å; H140-E143 PolarHBondContact O-N 2.83Å; A141-E143 VanDerWaalsContact C-N 3.26Å; A141-E143 PolarHBondContact O-N 2.83Å; E143-S145 PolarHBondContact O-N 3.07Å
144C90.9Very high87.3Confident20 Ų2084.4 Ų84.414%0.13547%0.465CS..  trans-75.5122.7-178.8-165.60000110.5C131 N133 C134 H139 H140 A141 L146C131-C144 VanDerWaalsContact SG-SG 3.63Å; N133-C144 HydrophobicContact CB-CB 4.07Å; C134-C144 VanDerWaalsContact SG-SG 3.68Å; H139-C144 PolarHBondContact NE2-SG 2.95Å; H140-C144 PolarHBondContact O-N 2.98Å; A141-C144 WeakPolarHBondContact O-CB 3.5Å; A141-C144 PolarHBondContact O-N 2.89Å; C144-L146 PolarHBondContact O-N 2.77Å
145S89.9Confident87.1Confident118 Ų11888.1 Ų88.183%0.82547%0.474SS*.  trans-72.3-10.3177.153.30000114.2E143E143-S145 PolarHBondContact O-N 3.07Å
146L86.8Confident87.3Confident91 Ų9188.8 Ų88.848%0.47647%0.474SS..SBendtrans-83.8146.3176.7-66.5180000111.1N133 C134 C144N133-L146 PolarHBondContact ND2-O 2.88Å; C134-L146 HydrophobicContact CB-CD1 3.65Å; C144-L146 PolarHBondContact O-N 2.77Å
147P88.7Confident87.2Confident86 Ų8692.6 Ų92.656%0.55849%0.486SS*.PPolyproline II helixtrans-58.9158172.925.3-32.7000110.7N133 Q149N133-P147 PolarHBondContact ND2-O 3.44Å; N133-P147 VanDerWaalsContact ND2-O 3.12Å; P147-Q149 WeakPolarHBondContact O-CG 3.48Å; P147-Q149 PolarHBondContact O-N 3.32Å; P147-Q149 VanDerWaalsContact O-N 3.09Å; P147-Q149 PolarHBondContact O-NE2 3.27Å
148P89.3Confident87.3Confident125 Ų12588.5 Ų88.581%0.81247%0.467SS*.PPolyproline II helixtrans-54.3117.5179.2-25.534.2000111.9
149Q87.8Confident87.4Confident92 Ų9284.5 Ų84.543%0.4346%0.456SS..PPolyproline II helixtrans-92.5153.5179.4-61.7-55.7-58.900110.3N133 P147 K151N133-Q149 WeakPolarHBondContact OD1-CB 3.39Å; N133-Q149 PolarHBondContact OD1-N 2.9Å; P147-Q149 WeakPolarHBondContact O-CG 3.48Å; P147-Q149 PolarHBondContact O-N 3.32Å; P147-Q149 VanDerWaalsContact O-N 3.09Å; P147-Q149 PolarHBondContact O-NE2 3.27Å; Q149-K151 PolarHBondContact O-N 3.27Å
150P87.2Confident87.6Confident97 Ų9788.2 Ų88.263%0.6348%0.482SS*.PPolyproline II helixtrans-57.5138.8173.624-33.7000110.9K152P150-K152 PolarHBondContact O-N 2.82Å
151K84.1Confident87.5Confident165 Ų16586.7 Ų86.772%0.71747%0.474SS*.PPolyproline II helixtrans-61.9129.4-177.8-68.4-176.5-179.1173.70110.2Q149Q149-K151 PolarHBondContact O-N 3.27Å
152K89.9Confident87.5Confident52 Ų5290 Ų9023%0.22648%0.484CS..  trans-106.2152.4177.462.6-169.9175-168.50111.8C134 P150 H154 Q157 S158C134-K152 PolarHBondContact O-NZ 3.5Å; P150-K152 PolarHBondContact O-N 2.82Å; K152-H154 PolarHBondContact O-N 2.84Å; K152-Q157 HydrophobicContact CD-CB 4.3Å; K152-S158 CarbonylContact C-O 3.51Å; K152-S158 VanDerWaalsContact CA-O 3.28Å; K152-S158 WeakPolarHBondContact CA-O 3.44Å
153C87.1Confident87.4Confident0 Ų084.3 Ų84.30%046%0.463CS..  trans-54.5121.8170.3179.80000110.5Y155 C156 Q157 S158 H161 C166C153-Y155 PolarHBondContact O-N 2.73Å; C153-Y155 VanDerWaalsContact O-N 3.1Å; C153-Y155 PolarHBondContact SG-N 2.79Å; C153-C156 VanDerWaalsContact CB-SG 3.58Å; C153-C156 PolarHBondContact SG-SG 3.37Å; C153-Q157 WeakPolarHBondContact O-CA 3.41Å; C153-Q157 PolarHBondContact O-N 2.9Å; C153-S158 PolarHBondContact N-O 2.8Å; C153-H161 WeakPolarHBondContact CB-O 3.27Å; C153-H161 PolarHBondContact N-O 2.82Å; C153-C166 VanDerWaalsContact SG-SG 3.61Å
154H85.1Confident87.3Confident111 Ų11182.4 Ų82.451%0.51447%0.468SS..THydrogen-bonded Turntrans-66.7-13.1179.1-57.4-77.8000113.7Y132 K152 V163Y132-H154 AromaticContact CD1-CE1 3.33Å; Y132-H154 WeakPolarHBondContact CD1-CE1 3.36Å; Y132-H154 AromaticContact CD1-ND1 3.5Å; Y132-H154 WeakPolarHBondContact CD1-ND1 3.21Å; Y132-H154 AromaticContact CE1-CE1 3.79Å; Y132-H154 AromaticContact CE1-ND1 3.72Å; K152-H154 PolarHBondContact O-N 2.84Å; H154-V163 HydrophobicContact CB-CG2 4.27Å
155Y83.6Confident87.3Confident120 Ų12088.6 Ų88.647%0.47150%0.495SS..THydrogen-bonded Turntrans-90.8-62.8178.6-169-93000111.5C153 Q157 H168C153-Y155 PolarHBondContact O-N 2.73Å; C153-Y155 VanDerWaalsContact O-N 3.1Å; C153-Y155 PolarHBondContact SG-N 2.79Å; Y155-Q157 PolarHBondContact O-NE2 2.96Å; Y155-H168 HydrophobicContact CD1-CB 4.07Å; Y155-H168 HydrophobicContact CE1-CB 3.82Å; Y155-H168 WeakPolarHBondContact CE1-O 3.49Å
156C86.1Confident87.1Confident39 Ų3983.4 Ų83.426%0.26446%0.458SS..THydrogen-bonded Turntrans-102.2-1.9-174.768.20000114.8C153 S158 H161 C166C153-C156 VanDerWaalsContact CB-SG 3.58Å; C153-C156 PolarHBondContact SG-SG 3.37Å; C156-S158 PolarHBondContact O-N 2.83Å; C156-H161 VanDerWaalsContact SG-CE1 3.59Å; C156-H161 PolarHBondContact SG-NE2 2.74Å; C156-C166 VanDerWaalsContact SG-SG 3.61Å
157Q84.4Confident87.1Confident105 Ų10584 Ų8449%0.49147%0.467SS..  trans63.814.1-176.4-58.6120.774.500116.1K152 C153 Y155K152-Q157 HydrophobicContact CD-CB 4.3Å; C153-Q157 WeakPolarHBondContact O-CA 3.41Å; C153-Q157 PolarHBondContact O-N 2.9Å; Y155-Q157 PolarHBondContact O-NE2 2.96Å
158S87.2Confident86.8Confident33 Ų3385.9 Ų85.923%0.23147%0.469CS..  trans-66139.6173.6-170.90000112.4K152 C153 C156 T160 H161K152-S158 CarbonylContact C-O 3.51Å; K152-S158 VanDerWaalsContact CA-O 3.28Å; K152-S158 WeakPolarHBondContact CA-O 3.44Å; C153-S158 PolarHBondContact N-O 2.8Å; C156-S158 PolarHBondContact O-N 2.83Å; S158-T160 VanDerWaalsContact C-N 3.32Å; S158-T160 PolarHBondContact OG-N 2.8Å; S158-T160 PolarHBondContact OG-OG1 2.82Å; S158-H161 WeakPolarHBondContact CB-CE1 3.44Å
159A86.7Confident86.4Confident73 Ų7386.4 Ų86.460%0.60346%0.455SS*.SBendtrans-82.9-7.5171.600000113.3
160T89.9Confident85.8Confident123 Ų12386 Ų8676%0.75546%0.459SS*.SBendtrans-86.8-21-173.761.40000113.9S158S158-T160 VanDerWaalsContact C-N 3.32Å; S158-T160 PolarHBondContact OG-N 2.8Å; S158-T160 PolarHBondContact OG-OG1 2.82Å
161H87.1Confident84.9Confident36 Ų3687.6 Ų87.617%0.16747%0.47CS..  trans-149.4158-175.261-92.2000111.3C153 C156 S158 H165 C166C153-H161 WeakPolarHBondContact CB-O 3.27Å; C153-H161 PolarHBondContact N-O 2.82Å; C156-H161 VanDerWaalsContact SG-CE1 3.59Å; C156-H161 PolarHBondContact SG-NE2 2.74Å; S158-H161 WeakPolarHBondContact CB-CE1 3.44Å; H161-H165 HydrophobicContact CB-CB 4.37Å; H161-C166 VanDerWaalsContact CD2-CA 3.43Å; H161-C166 WeakPolarHBondContact CD2-CA 3.49Å; H161-C166 WeakPolarHBondContact NE2-CA 3.34Å
162M88.4Confident83.7Confident113 Ų11381.6 Ų81.656%0.55746%0.455SS*.  trans-91.4167.6171.4-65.6-17766.700111.1A164 H165 C166M162-A164 PolarHBondContact O-N 3.44Å; M162-H165 PolarHBondContact O-N 3.29Å; M162-C166 PolarHBondContact O-N 3.08Å
163V87.6Confident81.8Confident52 Ų5285.1 Ų85.132%0.31548%0.483SS..G310 helixtrans-55.1-27.4-176.2108.50000113.7H154 H165 C166H154-V163 HydrophobicContact CB-CG2 4.27Å; V163-H165 VanDerWaalsContact C-N 3.27Å; V163-H165 PolarHBondContact O-N 2.85Å; V163-C166 PolarHBondContact O-N 2.97Å
164A86.4Confident79.9Confident79 Ų7993.2 Ų93.265%0.65353%0.525SS*.G310 helixtrans-65.2-27.7177.900000113.5M162M162-A164 PolarHBondContact O-N 3.44Å
165H89.6Confident77.8Confident151 Ų15193.2 Ų93.270%0.69954%0.538SS*.G310 helixtrans-116.620.7-178.3-55.9-65.4000112H161 M162 V163 P167H161-H165 HydrophobicContact CB-CB 4.37Å; M162-H165 PolarHBondContact O-N 3.29Å; V163-H165 VanDerWaalsContact C-N 3.27Å; V163-H165 PolarHBondContact O-N 2.85Å; H165-P167 VanDerWaalsContact O-CD 3.3Å; H165-P167 WeakPolarHBondContact O-CD 3.17Å
166C86.5Confident76Confident9 Ų993.6 Ų93.66%0.06156%0.555CS.*  trans-74.4114.7-177.1-178.40000111C153 C156 H161 M162 V163 H168 R169C153-C166 VanDerWaalsContact SG-SG 3.61Å; C156-C166 VanDerWaalsContact SG-SG 3.61Å; H161-C166 VanDerWaalsContact CD2-CA 3.43Å; H161-C166 WeakPolarHBondContact CD2-CA 3.49Å; H161-C166 WeakPolarHBondContact NE2-CA 3.34Å; M162-C166 PolarHBondContact O-N 3.08Å; V163-C166 PolarHBondContact O-N 2.97Å; C166-H168 PolarHBondContact O-N 3.26Å; C166-H168 VanDerWaalsContact O-N 3.14Å; C166-R169 HydrophobicContact CB-CB 4.04Å; C166-R169 WeakPolarHBondContact O-CB 3.14Å; C166-R169 PolarHBondContact O-N 2.92Å
167P86.2Confident73.9Confident102 Ų10294.5 Ų94.566%0.66257%0.571SS**THydrogen-bonded Turntrans-66.5-19.3-17828.8-35.3000112.5H165H165-P167 VanDerWaalsContact O-CD 3.3Å; H165-P167 WeakPolarHBondContact O-CD 3.17Å
168H82.7Confident72Confident127 Ų12795.5 Ų95.559%0.58859%0.587SS**THydrogen-bonded Turntrans-87-9176.1-57-67.7000113.6Y155 C166 P170Y155-H168 HydrophobicContact CD1-CB 4.07Å; Y155-H168 HydrophobicContact CE1-CB 3.82Å; Y155-H168 WeakPolarHBondContact CE1-O 3.49Å; C166-H168 PolarHBondContact O-N 3.26Å; C166-H168 VanDerWaalsContact O-N 3.14Å; H168-P170 VanDerWaalsContact O-CD 3.31Å; H168-P170 WeakPolarHBondContact O-CD 3.37Å
169R80.8Confident69.8Low136 Ų13698.6 Ų98.651%0.51361%0.614SS.*SBendtrans-79.3117178.8-175.9175.4180-107.6-0.1107.4C166C166-R169 HydrophobicContact CB-CB 4.04Å; C166-R169 WeakPolarHBondContact O-CB 3.14Å; C166-R169 PolarHBondContact O-N 2.92Å
170P74.8Confident67.6Low82 Ų82101.1 Ų101.153%0.53262%0.622SS.*  trans-60.3140.5174.624.7-31.9000108.9H168 G172H168-P170 VanDerWaalsContact O-CD 3.31Å; H168-P170 WeakPolarHBondContact O-CD 3.37Å; P170-G172 PolarHBondContact O-N 2.82Å
171P68.7Low65.6Low131 Ų13199.8 Ų99.885%0.85162%0.624SS**  trans-57.9112.2172.322.8-29.8000107.3
172G58.8Low63.5Low39 Ų39104 Ų10440%0.40265%0.652SS.*  trans-63155.9174.400000109.5P170 L174P170-G172 PolarHBondContact O-N 2.82Å; G172-L174 PolarHBondContact O-N 3.34Å; G172-L174 VanDerWaalsContact O-N 3.13Å
173P51Low61.8Low126 Ų126107.7 Ų107.782%0.81867%0.668SS**  trans-54.4125.4167.523.5-30.4000107.7S175P173-S175 PolarHBondContact O-N 3.01Å
174L45.3Very low59.4Low170 Ų170108.8 Ų108.889%0.8969%0.69SS**  trans-56.4103.1173.7-68.9161.9000107.3G172 P176G172-L174 PolarHBondContact O-N 3.34Å; G172-L174 VanDerWaalsContact O-N 3.13Å; L174-P176 WeakPolarHBondContact O-CD 3.38Å
175S42Very low57.3Low111 Ų111116.5 Ų116.578%0.77670%0.702SS**  trans-67.1120.3159.3-63.60000106.3P173 G177P173-S175 PolarHBondContact O-N 3.01Å; S175-G177 PolarHBondContact O-N 3.01Å; S175-G177 VanDerWaalsContact O-N 3.08Å
176P46.8Very low54.9Low129 Ų129120.2 Ų120.284%0.83871%0.71SS**  trans-63.4115.3168.825.4-29.4000107L174L174-P176 WeakPolarHBondContact O-CD 3.38Å
177G40.3Very low52.6Low57 Ų57125.8 Ų125.859%0.58874%0.744SS**  trans-61156.4167.100000109.9S175 A179S175-G177 PolarHBondContact O-N 3.01Å; S175-G177 VanDerWaalsContact O-N 3.08Å; G177-A179 PolarHBondContact O-N 3.05Å; G177-A179 VanDerWaalsContact O-N 3.12Å
178P45.3Very low50.4Low126 Ų126127.7 Ų127.782%0.81875%0.754SS**  trans-63120.5177.327.6-31.4000108.3T180P178-T180 PolarHBondContact O-N 3.05Å
179A40.8Very low48.5Very low99 Ų99128.8 Ų128.882%0.81877%0.769SS**  trans-60.5105.2168.500000107.8G177 A181G177-A179 PolarHBondContact O-N 3.05Å; G177-A179 VanDerWaalsContact O-N 3.12Å; A179-A181 PolarHBondContact O-N 2.96Å
180T41.4Very low46.5Very low125 Ų125129.2 Ų129.277%0.76778%0.782SS**  trans-65.8101.1164.233.50000107.2P178 T182P178-T180 PolarHBondContact O-N 3.05Å; T180-T182 PolarHBondContact O-N 2.86Å
181A46.7Very low44.6Very low96 Ų96134.6 Ų134.679%0.79380%0.799SS**  trans-68.280.4167.500000108.8A179 Q183A179-A181 PolarHBondContact O-N 2.96Å; A181-Q183 PolarHBondContact O-N 2.91Å
182T44.3Very low43Very low124 Ų124138.4 Ų138.476%0.76180%0.798SS**  trans-79.4108.4164.8-64.50000107.9T180 G184T180-T182 PolarHBondContact O-N 2.86Å; T182-G184 PolarHBondContact O-N 3.36Å; T182-G184 VanDerWaalsContact O-N 3.12Å
183Q52.4Low42.5Very low191 Ų191140.9 Ų140.989%0.89381%0.807SS**  trans-56.6110.8168.5-66.6170.421.900109.4A181A181-Q183 PolarHBondContact O-N 2.91Å
184G36Very low42.2Very low74 Ų74140 Ų14076%0.76381%0.805SS**  trans-112.285.5172.400000110T182 R186T182-G184 PolarHBondContact O-N 3.36Å; T182-G184 VanDerWaalsContact O-N 3.12Å; G184-R186 PolarHBondContact O-N 2.9Å
185R43.8Very low41.8Very low242 Ų242138.4 Ų138.491%0.91380%0.802SS**  trans-65.8114.3172.2-166.6-178.7-161.7-108.34.5110
186R38.9Very low41.6Very low229 Ų229142.3 Ų142.386%0.86481%0.805SS**  trans-146.791.9158.8-67-168.2-171.5-95-0.6108.6G184G184-R186 PolarHBondContact O-N 2.9Å
187T37.2Very low41.1Very low126 Ų126141.7 Ų141.777%0.77380%0.799SS**  70.492110.853.50000114
188T40.8Very low41.1Very low141 Ų141144.8 Ų144.887%0.86581%0.807SS**  trans-60.3124.5155.341.80000110
189V41.8Very low40.6Very low150 Ų150144.6 Ų144.691%0.90980%0.803SS**  trans-90.4105.7153.9-97.80000105.7
190D39.9Very low41.3Very low146 Ų146144.6 Ų144.678%0.78180%0.798SS**  trans-108.6122.6163-156.5-75.8000107.2
191Q33.6Very low40.9Very low194 Ų194148.9 Ų148.991%0.90780%0.801SS**  trans-110.799177.1179.5147.37800107.1
192Y35.3Very low40.7Very low211 Ų211149 Ų14983%0.82780%0.796SS**  trans-142.1143.4158.2-150.3-105.9000110.7
193P49.9Very low41.1Very low91 Ų91148.2 Ų148.259%0.59179%0.793SS**  trans-93.6159.1-157.534.5-29.8000114.8
194S44.2Very low40.5Very low109 Ų109144.4 Ų144.476%0.76279%0.788SS**  trans53.9111.8150.3-63.30000119.3
195T36.2Very low41.7Very low136 Ų136146.8 Ų146.883%0.83479%0.79SS**  179.9125.9102.330.90000112.1
196F39.2Very low41.4Very low193 Ų193146.8 Ų146.885%0.84679%0.79SS**  trans46.7134.5146-93.4-97.2000124.8
197T35.1Very low42Very low115 Ų115144.9 Ų144.971%0.70679%0.791SS**  trans87.5106.1144.421.70000122
198T40.3Very low41.9Very low123 Ų123142.4 Ų142.476%0.75579%0.79SS**  54.4110.9120.6-68.40000119.6
199T34.8Very low41.8Very low121 Ų121142.7 Ų142.774%0.74279%0.786SS**  168.1138.7108.2-64.20000111.1
200S55Low41.7Very low100 Ų100144 Ų14470%0.69978%0.775SS**  trans-49.7150.9173.953.10000116.8
201Y33.6Very low41.8Very low214 Ų214144 Ų14484%0.83977%0.769SS**  174.4135.7109.2-162-110.7000111P203Y201-P203 HydrophobicContact CE1-CG 4.12Å
202S43.7Very low41.9Very low98 Ų98140.2 Ų140.269%0.68577%0.765SS**  trans-102.2149.5169.9-145.40000107.5
203P51.4Low42.1Very low108 Ų108138.9 Ų138.970%0.70177%0.766SS**  -155.4171.898.535.6-14.2000118.2Y201Y201-P203 HydrophobicContact CE1-CG 4.12Å
204S41Very low42.1Very low112 Ų112139.7 Ų139.778%0.78377%0.771SS**  trans-56.6173.9-174.9-59.70000121
205P59.3Low41.9Very low123 Ų123139 Ų13980%0.79977%0.766SS**  trans-101.2169.6-172.439.1-30.6000114.3
206R39.3Very low42.1Very low243 Ų243141.2 Ų141.292%0.91777%0.767SS**  trans-136.6140.5173.1-107.5-176.4155-91.6-0.8114.4
207Q50.2Low41.9Very low189 Ų189138.2 Ų138.288%0.88376%0.76SS**  trans-92.5171.6-179.6-58.717650.600113.2
208G35.3Very low42.1Very low73 Ų73136.9 Ų136.975%0.75376%0.756SS**  trans142.7110.7156.100000111.7
209N39.3Very low42Very low147 Ų147136.9 Ų136.979%0.78676%0.76SS**  cis96.4121.940.2-154.444.7000114.1
210R39.3Very low42.3Very low179 Ų179136.7 Ų136.768%0.67576%0.764SS**  trans80.6125.5145.7-80.7178.198.6-144.56124.8
211H41.9Very low42.5Very low144 Ų144137.3 Ų137.367%0.66777%0.766SS**  72.4130.3123-78.230.8000121.8
212S35.7Very low42.9Very low116 Ų116135.2 Ų135.281%0.81177%0.768SS**  142.8127.4114.9-73.90000114.6
213Q39.3Very low43Very low183 Ų183135 Ų13586%0.85577%0.767SS**  trans-74.2175.8151.5-79.2-149.8-57.600109.9
214P49.3Very low42.4Very low108 Ų108138.9 Ų138.970%0.70177%0.772SS**  cis-157.6-179.435.541.7-17000120.9
215S41.1Very low42.3Very low93 Ų93138.1 Ų138.165%0.6577%0.767SS**  trans81.6149.5137.166.50000125.9
216Q41Very low41.3Very low183 Ų183137.2 Ų137.286%0.85576%0.764SS**  trans95.7144.8152.9-51.3-147.512.400118.3
217D33.3Very low41.3Very low131 Ų131130.9 Ų130.970%0.70176%0.757SS**  cis-166156.2-10.4172-111.9000108.7
218S39.8Very low41.3Very low87 Ų87127.1 Ų127.161%0.60875%0.751SS**  trans-7148.3162.6-48.10000123.2
219S37.6Very low42.3Very low122 Ų122130 Ų13085%0.85376%0.756SS**  179.8125.4128.1-74.80000112.4
220S42Very low42.7Very low118 Ų118132.1 Ų132.183%0.82576%0.762SS**  trans-111.6-173.3158.7-60.70000107.5
221P59.2Low42.9Very low112 Ų112130.4 Ų130.473%0.72777%0.766SS**  cis-135.7-178.6-6.537.2-17.3000113.6
222L42.2Very low43.6Very low171 Ų171129.3 Ų129.390%0.89577%0.772SS**  trans-175.6151.5134.6-97.2151000112.8
223S45.2Very low43.9Very low93 Ų93127.2 Ų127.265%0.6576%0.762SS**  trans-84.3162.4-158.745.70000116.8
224K39.1Very low44.1Very low189 Ų189125.6 Ų125.682%0.82275%0.754SS**  trans170104.5134.3-93.6163.5179.4-173.80109.5
225S38.4Very low44.1Very low96 Ų96128.9 Ų128.967%0.67176%0.764SS**  75.3108.794.270.10000113.7
226S38.2Very low44.9Very low105 Ų105131.9 Ų131.973%0.73477%0.768SS**  72.1139.5110.865.90000115
227S40.6Very low45.3Very low110 Ų110134.3 Ų134.377%0.76977%0.769SS**  cis-168.8160.60.1-82.30000107
228S49.6Very low46.3Very low110 Ų110139.9 Ų139.977%0.76978%0.78SS**  trans17.1144.4159.1-590000123.5
229P56.6Low46.8Very low132 Ų132141.4 Ų141.486%0.85779%0.791SS**  trans-110.5133.3144.633.2-24.3000112.7
230E47.8Very low47.2Very low193 Ų193139.3 Ų139.390%0.90279%0.789SS**  trans-103.4142.9164.2-66.5-171.293.500110.2
231D44.2Very low47.5Very low143 Ų143137 Ų13777%0.76578%0.783SS**  trans-73.4156.5170.7-145.4-75.4000109.9A233D231-A233 PolarHBondContact OD1-N 3.12Å
232P54.5Low47.3Very low120 Ų120140.4 Ų140.478%0.77979%0.789SS**  -151.3135.894.232.3-11.3000116.5
233A42.8Very low47.8Very low73 Ų73140.4 Ų140.460%0.60378%0.784SS**  37.2131.5125.900000121.3D231D231-A233 PolarHBondContact OD1-N 3.12Å
234Q44.8Very low48.3Very low148 Ų148146.1 Ų146.169%0.69279%0.792SS**  161.2102119.8-82-90.6-42.500110.8Q236Q234-Q236 VanDerWaalsContact OE1-NE2 3.12Å
235I49.2Very low49Very low177 Ų177143.3 Ų143.391%0.90879%0.785SS**  trans-121.3105.3154.5-68178.2000107.3
236Q56Low49.7Very low157 Ų157146.4 Ų146.473%0.73479%0.786SS**  trans-74.5137.8179.6-72.7178.8-1400111.4Q234Q234-Q236 VanDerWaalsContact OE1-NE2 3.12Å
237R49.6Very low50.8Low233 Ų233149.5 Ų149.588%0.87979%0.789SS**  trans-62137.4167.1-62.8165164.1-112.3-2.7110.2
238R54.1Low51.6Low248 Ų248153.6 Ų153.694%0.93682%0.818SS**  trans-132.596.7150.5-83.8-173.1172.8-112.20.2110
239S51.4Low51.7Low119 Ų119155.8 Ų155.883%0.83282%0.82SS**  trans-74.9137.7151.835.90000109.5
240G45.9Very low51.4Low79 Ų79157.1 Ų157.181%0.81482%0.818SS**  trans-174.692.6170.800000110.8
241G48.5Very low51.6Low69 Ų69155.1 Ų155.171%0.71181%0.814SS**  trans-91.1151.8171.900000112.1
242H54.9Low52Low183 Ų183155.8 Ų155.885%0.84782%0.817SS**  trans-147.4111159.1-80.1-88.9000107
243H51.6Low51.9Low172 Ų172158 Ų15880%0.79682%0.819SS**  73.492.691.8-119.1-82.6000115.5
244R57.5Low52.5Low213 Ų213163.7 Ų163.780%0.80483%0.833SS**  25.5121.9126.6-143.4-174.6-165.2-141.23.8118
245L53.1Low53.1Low130 Ų130164.8 Ų164.868%0.68184%0.843SS**  174.1136.8122.8-120.364.3000115.1
246K52.8Low53.3Low160 Ų160163.8 Ų163.870%0.69684%0.838SS**  trans65.3116.5141.7-81.1171.3175.6-174.70120.2
247Q61.4Low53.1Low171 Ų171164.4 Ų164.480%0.79985%0.847SS**  66.5106.692.8-73.2-179.85.800113.5
248S56.7Low53.4Low196 Ų196158.2 Ų158.2100%1.37184%0.844SS**  178.3098.5-90.70000109.5

Retrieved 248 of 248 residues in 140.2 ms (Link to these results)