A0A087XBB4_POEFO Loading...

Cilia and flagella associated protein 90

AlphaFold DB (A0A3B3V9W8), UniProt , Accession A0A087XBB4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 137 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
1M42Very low48.7Very low231 Ų231155.3 Ų155.3100%1.13884%0.841SS**  083.80-77.1-65.6-175.100104.9A3M1-A3 PolarHBondContact O-N 3.33Å
2D41Very low49.7Very low162 Ų162157.3 Ų157.387%0.86684%0.841SS**  trans-81.6114-174.2-54.9-44.7000107.5S4D2-S4 PolarHBondContact O-N 3.48Å
3A47.2Very low50.9Low107 Ų107152.1 Ų152.188%0.88483%0.833SS**  trans-81104.4172.400000107.8M1M1-A3 PolarHBondContact O-N 3.33Å
4S47.8Very low52.7Low109 Ų109155.2 Ų155.276%0.76283%0.834SS**  trans-71.1133.4178.449.70000112D2D2-S4 PolarHBondContact O-N 3.48Å
5S54.6Low54Low103 Ų103151.9 Ų151.972%0.7282%0.824SS**  trans-32.2125.1161.552.50000116
6E46.4Very low55.7Low181 Ų181147.1 Ų147.185%0.84681%0.805SS**  trans-136.668143.5-70.7-171.9-177.500107.9Q8E6-Q8 VanDerWaalsContact C-N 3.28Å; E6-Q8 PolarHBondContact O-N 2.96Å
7D47.3Very low57Low151 Ų151147.3 Ų147.381%0.80780%0.803SS**  trans-59.4102.9154.3-79.9-29.8000105.9T9D7-T9 VanDerWaalsContact C-N 3.34Å; D7-T9 PolarHBondContact O-N 2.74Å
8Q50.2Low58.1Low174 Ų174146.5 Ų146.581%0.81380%0.798SS**  trans-56.8102.9173.1-68.2-177.8-100107.2E6 K10E6-Q8 VanDerWaalsContact C-N 3.28Å; E6-Q8 PolarHBondContact O-N 2.96Å; Q8-K10 PolarHBondContact O-N 2.83Å
9T46.5Very low59Low126 Ų126142.6 Ų142.677%0.77378%0.782SS**  trans-60.987.116544.40000107D7 E11D7-T9 VanDerWaalsContact C-N 3.34Å; D7-T9 PolarHBondContact O-N 2.74Å; T9-E11 PolarHBondContact O-N 2.8Å
10K54.4Low59.9Low189 Ų189143.1 Ų143.182%0.82278%0.783SS**  trans-6190.5154-98.8178.2176.7172.10104.9Q8 E12Q8-K10 PolarHBondContact O-N 2.83Å; K10-E12 PolarHBondContact O-N 2.96Å
11E58.8Low60.6Low175 Ų175141.5 Ų141.582%0.81877%0.773SS**  trans-52.4113.6162.7-69.3-172.2165.600106T9 A13T9-E11 PolarHBondContact O-N 2.8Å; E11-A13 PolarHBondContact O-N 2.73Å
12E60.3Low62Low180 Ų180134.1 Ų134.184%0.84174%0.743SS**  trans-6586.3172.3-67.1-173165.700106.6K10 K14K10-E12 PolarHBondContact O-N 2.96Å; E12-K14 VanDerWaalsContact C-N 3.3Å; E12-K14 PolarHBondContact O-N 2.84Å
13A65.5Low63.4Low89 Ų89132.8 Ų132.874%0.73674%0.744SS**  trans-57.8100.4172.800000106.3E11 P15E11-A13 PolarHBondContact O-N 2.73Å; A13-P15 WeakPolarHBondContact O-CD 3.14Å
14K75.7Confident64.4Low196 Ų196131.2 Ų131.285%0.85272%0.718SS**  trans-57.7111.7-178.5-68.5-178.8-177.1175.50106.9E12 S16E12-K14 VanDerWaalsContact C-N 3.3Å; E12-K14 PolarHBondContact O-N 2.84Å; K14-S16 PolarHBondContact O-N 3.32Å
15P72.3Confident65.5Low105 Ų105134.7 Ų134.768%0.68272%0.715SS**  trans-59.6134.5-177.821-29.5000108.3A13 S19A13-P15 WeakPolarHBondContact O-CD 3.14Å; P15-S19 VanDerWaalsContact CB-OG 3.23Å; P15-S19 WeakPolarHBondContact CB-OG 3.5Å
16S80.9Confident66.5Low75 Ų75138.1 Ų138.152%0.52472%0.716SS.*  trans-57.1145.4173.869.10000108.9K14 L18 S19K14-S16 PolarHBondContact O-N 3.32Å; S16-L18 PolarHBondContact O-N 3.03Å; S16-S19 PolarHBondContact N-OG 3.27Å; S16-S19 WeakPolarHBondContact O-CB 3.44Å; S16-S19 PolarHBondContact O-N 3.45Å; S16-S19 PolarHBondContact O-OG 3.24Å; S16-S19 PolarHBondContact OG-N 3.25Å
17I78.9Confident68.2Low151 Ų151135 Ų13577%0.77470%0.702SS**G310 helixtrans-53.3-32.7179.5-67168.1000111.2S19 L20I17-S19 VanDerWaalsContact C-N 3.3Å; I17-S19 PolarHBondContact O-N 3.03Å; I17-L20 WeakPolarHBondContact O-CB 3.39Å; I17-L20 PolarHBondContact O-N 3.47Å
18L75.7Confident69.9Low133 Ų133131.3 Ų131.370%0.69669%0.686SS**G310 helixtrans-67.8-26.2178.2-60.9176.9000113.6S16 L20 I21S16-L18 PolarHBondContact O-N 3.03Å; L18-L20 VanDerWaalsContact C-N 3.27Å; L18-L20 PolarHBondContact O-N 3.02Å; L18-I21 HydrophobicContact CD2-CD1 4.1Å; L18-I21 WeakPolarHBondContact O-CB 3.23Å; L18-I21 PolarHBondContact O-N 3.4Å
19S75.3Confident71.4Confident72 Ų72126.7 Ų126.750%0.50366%0.663SS.*G310 helixtrans-74.1-17.5176.1680000113.5P15 S16 I17 I21P15-S19 VanDerWaalsContact CB-OG 3.23Å; P15-S19 WeakPolarHBondContact CB-OG 3.5Å; S16-S19 PolarHBondContact N-OG 3.27Å; S16-S19 WeakPolarHBondContact O-CB 3.44Å; S16-S19 PolarHBondContact O-N 3.45Å; S16-S19 PolarHBondContact O-OG 3.24Å; S16-S19 PolarHBondContact OG-N 3.25Å; I17-S19 VanDerWaalsContact C-N 3.3Å; I17-S19 PolarHBondContact O-N 3.03Å; S19-I21 VanDerWaalsContact C-N 3.29Å
20L76.6Confident73.1Confident153 Ų153128.7 Ų128.780%0.80166%0.664SS**G310 helixtrans-75.6-22.1172.4-164.669.7000111.8I17 L18 S22I17-L20 WeakPolarHBondContact O-CB 3.39Å; I17-L20 PolarHBondContact O-N 3.47Å; L18-L20 VanDerWaalsContact C-N 3.27Å; L18-L20 PolarHBondContact O-N 3.02Å; L20-S22 PolarHBondContact O-N 2.63Å
21I76.1Confident74.4Confident110 Ų110126 Ų12656%0.56466%0.656SS**SBendtrans-77.5110.3176.2-55.7174.4000107.6L18 S19L18-I21 HydrophobicContact CD2-CD1 4.1Å; L18-I21 WeakPolarHBondContact O-CB 3.23Å; L18-I21 PolarHBondContact O-N 3.4Å; S19-I21 VanDerWaalsContact C-N 3.29Å
22S69.9Low75.3Confident75 Ų75118.9 Ų118.952%0.52463%0.625SS.*  trans-56.4126.6174.7-70.20000109.6L20 Q24L20-S22 PolarHBondContact O-N 2.63Å; S22-Q24 PolarHBondContact O-N 3.49Å; S22-Q24 VanDerWaalsContact O-N 3.12Å
23P70.2Confident76.1Confident134 Ų134116.1 Ų116.187%0.8761%0.608SS**SBendtrans-67.2-14.8-179.926.5-34.2000112.4
24Q69.8Low76.6Confident75 Ų75114 Ų11435%0.3558%0.582SS.*SBendtrans-108.3133.5178.2-62.7-178.7-1100110.3S22 K26 E42S22-Q24 PolarHBondContact O-N 3.49Å; S22-Q24 VanDerWaalsContact O-N 3.12Å; Q24-K26 PolarHBondContact O-N 2.85Å; Q24-E42 PolarHBondContact NE2-OE1 2.63Å
25R71.1Confident76.7Confident182 Ų182106.1 Ų106.169%0.68755%0.549SS*.  trans-77.7116.3164.6-70-174.2178-179.6-2.2108.5
26K74.6Confident76.9Confident175 Ų175102.3 Ų102.376%0.76153%0.525SS*.  trans-96.52.8175.3-62.6-176.2-179.31800113.1Q24Q24-K26 PolarHBondContact O-N 2.85Å
27E82Confident76.8Confident114 Ų114106.5 Ų106.553%0.53353%0.534SS..SBendtrans-68.5152-176.7-70175-175.300111.8M31E27-M31 HydrophobicContact CB-CB 4.15Å; E27-M31 HydrophobicContact CB-SD 4.32Å; E27-M31 HydrophobicContact CG-SD 4.26Å
28P84.1Confident76.5Confident74 Ų74102.5 Ų102.548%0.48152%0.523SS..  trans-62.3156.3174.828.3-35.5000111.1E30 M31P28-E30 PolarHBondContact O-N 3.46Å; P28-M31 HydrophobicContact CG-CG 4.06Å; P28-M31 HydrophobicContact CG-SD 4.1Å; P28-M31 PolarHBondContact O-N 3.3Å
29K81.2Confident76.2Confident78 Ų78103.2 Ų103.234%0.33952%0.521SS..G310 helixtrans-45.9-39.8177.6-156.3-161.2-162.2-135.90112.6M31 C32 N35 S36 K37K29-M31 VanDerWaalsContact C-N 3.27Å; K29-M31 PolarHBondContact O-N 2.96Å; K29-C32 WeakPolarHBondContact O-CB 2.82Å; K29-C32 PolarHBondContact O-N 2.64Å; K29-C32 VanDerWaalsContact O-N 3.08Å; K29-N35 WeakPolarHBondContact CD-O 3.33Å; K29-N35 WeakPolarHBondContact CD-OD1 3.38Å; K29-N35 WeakPolarHBondContact CE-O 3.47Å; K29-N35 VanDerWaalsContact CG-C 3.47Å; K29-N35 WeakPolarHBondContact CG-O 3.37Å; K29-N35 WeakPolarHBondContact CG-OD1 3.18Å; K29-N35 PolarHBondContact NZ-O 3.31Å; K29-N35 WeakPolarHBondContact O-CA 3.42Å; K29-N35 PolarHBondContact O-OD1 2.91Å; K29-S36 WeakPolarHBondContact CG-O 3.41Å; K29-K37 HydrophobicContact CD-CG 4.23Å; K29-K37 HydrophobicContact CG-CG 4.12Å
30E82.2Confident75.8Confident167 Ų167104 Ų10478%0.7852%0.518SS*.G310 helixtrans-65.9-25.4-174.4-61.6174-173.900113.8P28 C32P28-E30 PolarHBondContact O-N 3.46Å; E30-C32 VanDerWaalsContact C-N 3.35Å
31M80.7Confident75.3Confident133 Ų133102.1 Ų102.166%0.65551%0.514SS*.G310 helixtrans-84.2-12.4176.3-72.3-175.5149.400112.7E27 P28 K29E27-M31 HydrophobicContact CB-CB 4.15Å; E27-M31 HydrophobicContact CB-SD 4.32Å; E27-M31 HydrophobicContact CG-SD 4.26Å; P28-M31 HydrophobicContact CG-CG 4.06Å; P28-M31 HydrophobicContact CG-SD 4.1Å; P28-M31 PolarHBondContact O-N 3.3Å; K29-M31 VanDerWaalsContact C-N 3.27Å; K29-M31 PolarHBondContact O-N 2.96Å
32C77.5Confident74.9Confident25 Ų25104.5 Ų104.517%0.16952%0.522CS..SBendtrans-79.4139.9173.8-710000110.7K29 E30 F34 N35K29-C32 WeakPolarHBondContact O-CB 2.82Å; K29-C32 PolarHBondContact O-N 2.64Å; K29-C32 VanDerWaalsContact O-N 3.08Å; E30-C32 VanDerWaalsContact C-N 3.35Å; C32-F34 VanDerWaalsContact C-N 3.32Å; C32-F34 PolarHBondContact O-N 3.22Å; C32-N35 PolarHBondContact O-N 2.75Å
33Y78.6Confident74.9Confident123 Ų123102.5 Ų102.548%0.48251%0.507SS..THydrogen-bonded Turntrans-47.8-52.5177.3179.6-100.8000112.3N35 R82 L86 S88Y33-N35 PolarHBondContact O-N 3.23Å; Y33-R82 PolarHBondContact O-NE 3.24Å; Y33-R82 PolarHBondContact O-NH2 3.31Å; Y33-L86 HydrophobicContact CD2-CD1 4.38Å; Y33-L86 HydrophobicContact CE2-CD1 3.51Å; Y33-S88 PolarHBondContact OH-OG 3.45Å
34F75Confident75.1Confident43 Ų4398.7 Ų98.719%0.18948%0.483CS..THydrogen-bonded Turntrans-78.80.3-178.2-70.7-68.8000115C32 S36 E78 E79 R82C32-F34 VanDerWaalsContact C-N 3.32Å; C32-F34 PolarHBondContact O-N 3.22Å; F34-S36 PolarHBondContact O-N 3.27Å; F34-E78 HydrophobicContact CB-CB 4.04Å; F34-E78 HydrophobicContact CB-CG 4.4Å; F34-E78 HydrophobicContact CD1-CB 4.07Å; F34-E78 VanDerWaalsContact CD2-OE2 3.25Å; F34-E78 WeakPolarHBondContact CD2-OE2 3.34Å; F34-E78 HydrophobicContact CG-CB 4.17Å; F34-E78 WeakPolarHBondContact CG-OE2 3.41Å; F34-E79 HydrophobicContact CD1-CG 4.26Å; F34-E79 HydrophobicContact CE1-CG 4.05Å; F34-R82 WeakPolarHBondContact O-CG 3Å
35N78.6Confident75.2Confident32 Ų32102.5 Ų102.517%0.17150%0.503CS..  trans4645.5-168.7-167.418.2000111.1K29 C32 Y33 P83K29-N35 WeakPolarHBondContact CD-O 3.33Å; K29-N35 WeakPolarHBondContact CD-OD1 3.38Å; K29-N35 WeakPolarHBondContact CE-O 3.47Å; K29-N35 VanDerWaalsContact CG-C 3.47Å; K29-N35 WeakPolarHBondContact CG-O 3.37Å; K29-N35 WeakPolarHBondContact CG-OD1 3.18Å; K29-N35 PolarHBondContact NZ-O 3.31Å; K29-N35 WeakPolarHBondContact O-CA 3.42Å; K29-N35 PolarHBondContact O-OD1 2.91Å; C32-N35 PolarHBondContact O-N 2.75Å; Y33-N35 PolarHBondContact O-N 3.23Å; N35-P83 WeakPolarHBondContact ND2-CD 3.4Å
36S76.7Confident75.6Confident24 Ų24100.5 Ų100.517%0.16850%0.499CS..  trans-112.3150179.366.70000110.6K29 F34K29-S36 WeakPolarHBondContact CG-O 3.41Å; F34-S36 PolarHBondContact O-N 3.27Å
37K77.7Confident75.6Confident164 Ų16496 Ų9671%0.71348%0.484SS*.  trans-74.9136.3174.8-72.5-176.9174.6179.60107.7K29 K39K29-K37 HydrophobicContact CD-CG 4.23Å; K29-K37 HydrophobicContact CG-CG 4.12Å; K37-K39 PolarHBondContact O-N 3.22Å; K37-K39 VanDerWaalsContact O-N 3.09Å
38A72.2Confident75Confident67 Ų6797.8 Ų97.855%0.55449%0.486SS*.  trans-62.2114.3178.300000110.2I40A38-I40 VanDerWaalsContact C-N 3.28Å; A38-I40 HydrophobicContact CB-CD1 4.07Å; A38-I40 HydrophobicContact CB-CG1 4.13Å; A38-I40 PolarHBondContact O-N 3.08Å
39K69.7Low74.5Confident148 Ų148101.7 Ų101.764%0.64350%0.499SS*.  trans-88.466.4173-63.5177-175.8172.60108.7K37K37-K39 PolarHBondContact O-N 3.22Å; K37-K39 VanDerWaalsContact O-N 3.09Å
40I67.6Low74.1Confident88 Ų88105.3 Ų105.345%0.45151%0.512SS..  trans-95.3117.4178.6-57.7169.5000108.1A38A38-I40 VanDerWaalsContact C-N 3.28Å; A38-I40 HydrophobicContact CB-CD1 4.07Å; A38-I40 HydrophobicContact CB-CG1 4.13Å; A38-I40 PolarHBondContact O-N 3.08Å
41T66.4Low73.5Confident114 Ų114104 Ų10470%0.69950%0.5SS*.  trans-80.2122.7163.8-10.70000107.7V43T41-V43 VanDerWaalsContact C-N 3.33Å; T41-V43 PolarHBondContact O-N 3.12Å
42E67.6Low72.5Confident160 Ų160103.9 Ų103.975%0.74850%0.502SS*.  trans-68.893.3173.3-63.5-166.4155.900108.9Q24Q24-E42 PolarHBondContact NE2-OE1 2.63Å
43V69.4Low71.6Confident33 Ų33107 Ų10720%0.252%0.516CS..  trans-103.2122173.2-174.30000107.1T41 D47 R48T41-V43 VanDerWaalsContact C-N 3.33Å; T41-V43 PolarHBondContact O-N 3.12Å; V43-D47 HydrophobicContact CG1-CB 3.79Å; V43-R48 HydrophobicContact CB-CG 4.21Å; V43-R48 HydrophobicContact CG1-CG 3.74Å; V43-R48 PolarHBondContact O-NE 2.9Å; V43-R48 VanDerWaalsContact O-NE 3.08Å
44S74.6Confident70.5Confident54 Ų54109 Ų10938%0.37853%0.53SS..  trans-57.4149.8178.680.70000110.5F46 D47 R48S44-F46 PolarHBondContact O-N 3.03Å; S44-D47 WeakPolarHBondContact CB-OD2 3.48Å; S44-D47 PolarHBondContact O-N 3.03Å; S44-D47 WeakPolarHBondContact OG-CB 3.46Å; S44-D47 PolarHBondContact OG-N 3.25Å; S44-D47 PolarHBondContact OG-OD2 3.47Å; S44-R48 WeakPolarHBondContact O-CG 3.47Å; S44-R48 PolarHBondContact O-N 3.31Å
45M72.6Confident69.5Low155 Ų155114.2 Ų114.276%0.76456%0.56SS**Hα-helixtrans-59.1-34.7176-73.5-164.8-67.700111.4R48 M49M45-R48 WeakPolarHBondContact O-CB 3.44Å; M45-R48 PolarHBondContact O-N 2.75Å; M45-M49 VanDerWaalsContact O-CG 3.28Å; M45-M49 WeakPolarHBondContact O-CG 3.5Å; M45-M49 PolarHBondContact O-N 3.18Å
46F77.9Confident68.3Low139 Ų139118 Ų11861%0.6158%0.575SS**Hα-helixtrans-59.6-51.9176.1-168.9-93.2000111.2S44 R48 M49 Y50S44-F46 PolarHBondContact O-N 3.03Å; F46-R48 PolarHBondContact O-N 3.09Å; F46-M49 PolarHBondContact O-N 3.08Å; F46-M49 VanDerWaalsContact O-N 3.1Å; F46-Y50 HydrophobicContact CD1-CD2 4.11Å; F46-Y50 AromaticContact CD2-CD2 3.69Å; F46-Y50 HydrophobicContact CD2-CD2 3.69Å; F46-Y50 AromaticContact CD2-CE2 3.73Å; F46-Y50 HydrophobicContact CD2-CE2 3.73Å; F46-Y50 AromaticContact CE1-CD2 3.97Å; F46-Y50 HydrophobicContact CE1-CD2 3.97Å; F46-Y50 HydrophobicContact CE1-CG 4.45Å; F46-Y50 AromaticContact CE2-CD2 3.53Å; F46-Y50 HydrophobicContact CE2-CD2 3.53Å; F46-Y50 AromaticContact CE2-CE2 3.45Å; F46-Y50 HydrophobicContact CE2-CE2 3.45Å; F46-Y50 VanDerWaalsContact CE2-CE2 3.45Å; F46-Y50 AromaticContact CG-CD2 3.98Å; F46-Y50 HydrophobicContact CG-CD2 3.98Å; F46-Y50 HydrophobicContact CG-CE2 4.46Å; F46-Y50 AromaticContact CZ-CD2 3.68Å; F46-Y50 HydrophobicContact CZ-CD2 3.68Å; F46-Y50 AromaticContact CZ-CE2 3.98Å; F46-Y50 HydrophobicContact CZ-CE2 3.98Å; F46-Y50 HydrophobicContact CZ-CG 4.3Å; F46-Y50 WeakPolarHBondContact O-CD2 3.44Å; F46-Y50 PolarHBondContact O-N 3.24Å
47D76.2Confident67.3Low82 Ų82122.6 Ų122.644%0.43959%0.594SS.*Hα-helixtrans-64.5-28.2178.6-57.2-35.5000112.5V43 S44 R51V43-D47 HydrophobicContact CG1-CB 3.79Å; S44-D47 WeakPolarHBondContact CB-OD2 3.48Å; S44-D47 PolarHBondContact O-N 3.03Å; S44-D47 WeakPolarHBondContact OG-CB 3.46Å; S44-D47 PolarHBondContact OG-N 3.25Å; S44-D47 PolarHBondContact OG-OD2 3.47Å; D47-R51 WeakPolarHBondContact O-CA 3.28Å; D47-R51 WeakPolarHBondContact O-CB 3.38Å; D47-R51 VanDerWaalsContact O-CG 3.23Å; D47-R51 WeakPolarHBondContact O-CG 3.22Å; D47-R51 PolarHBondContact O-N 3.41Å; D47-R51 VanDerWaalsContact O-N 3.11Å
48R69.3Low66.5Low150 Ų150121.2 Ų121.257%0.56660%0.599SS**Hα-helixtrans-70-40.8174.2-68.8176.3-171.9-163.7-3.3112V43 S44 M45 F46V43-R48 HydrophobicContact CB-CG 4.21Å; V43-R48 HydrophobicContact CG1-CG 3.74Å; V43-R48 PolarHBondContact O-NE 2.9Å; V43-R48 VanDerWaalsContact O-NE 3.08Å; S44-R48 WeakPolarHBondContact O-CG 3.47Å; S44-R48 PolarHBondContact O-N 3.31Å; M45-R48 WeakPolarHBondContact O-CB 3.44Å; M45-R48 PolarHBondContact O-N 2.75Å; F46-R48 PolarHBondContact O-N 3.09Å
49M73.3Confident66Low156 Ų156127.8 Ų127.877%0.76862%0.615SS**Hα-helixtrans-75.2-40.2-178.6-68.3-61.1-71.500111.5M45 F46M45-M49 VanDerWaalsContact O-CG 3.28Å; M45-M49 WeakPolarHBondContact O-CG 3.5Å; M45-M49 PolarHBondContact O-N 3.18Å; F46-M49 PolarHBondContact O-N 3.08Å; F46-M49 VanDerWaalsContact O-N 3.1Å
50Y73.3Confident65.3Low154 Ų154125.2 Ų125.260%0.60460%0.604SS**SBendtrans-105.524-175.2-62.8-76.7000113.2F46 N52F46-Y50 HydrophobicContact CD1-CD2 4.11Å; F46-Y50 AromaticContact CD2-CD2 3.69Å; F46-Y50 HydrophobicContact CD2-CD2 3.69Å; F46-Y50 AromaticContact CD2-CE2 3.73Å; F46-Y50 HydrophobicContact CD2-CE2 3.73Å; F46-Y50 AromaticContact CE1-CD2 3.97Å; F46-Y50 HydrophobicContact CE1-CD2 3.97Å; F46-Y50 HydrophobicContact CE1-CG 4.45Å; F46-Y50 AromaticContact CE2-CD2 3.53Å; F46-Y50 HydrophobicContact CE2-CD2 3.53Å; F46-Y50 AromaticContact CE2-CE2 3.45Å; F46-Y50 HydrophobicContact CE2-CE2 3.45Å; F46-Y50 VanDerWaalsContact CE2-CE2 3.45Å; F46-Y50 AromaticContact CG-CD2 3.98Å; F46-Y50 HydrophobicContact CG-CD2 3.98Å; F46-Y50 HydrophobicContact CG-CE2 4.46Å; F46-Y50 AromaticContact CZ-CD2 3.68Å; F46-Y50 HydrophobicContact CZ-CD2 3.68Å; F46-Y50 AromaticContact CZ-CE2 3.98Å; F46-Y50 HydrophobicContact CZ-CE2 3.98Å; F46-Y50 HydrophobicContact CZ-CG 4.3Å; F46-Y50 WeakPolarHBondContact O-CD2 3.44Å; F46-Y50 PolarHBondContact O-N 3.24Å; Y50-N52 PolarHBondContact O-N 3.01Å; Y50-N52 PolarHBondContact O-OD1 3.06Å
51R68.6Low64.9Low140 Ų140129.2 Ų129.253%0.52862%0.621SS.*  trans-63.7103.6176.3-127.5172.1-169.4-169.11.9109.3D47 I53D47-R51 WeakPolarHBondContact O-CA 3.28Å; D47-R51 WeakPolarHBondContact O-CB 3.38Å; D47-R51 VanDerWaalsContact O-CG 3.23Å; D47-R51 WeakPolarHBondContact O-CG 3.22Å; D47-R51 PolarHBondContact O-N 3.41Å; D47-R51 VanDerWaalsContact O-N 3.11Å; R51-I53 WeakPolarHBondContact O-CG1 3.25Å; R51-I53 PolarHBondContact O-N 3.28Å
52N58.9Low64.3Low130 Ų130131.6 Ų131.670%0.69562%0.618SS**  trans-55.8121.7174.9-68.9-14000108.7Y50 E54Y50-N52 PolarHBondContact O-N 3.01Å; Y50-N52 PolarHBondContact O-OD1 3.06Å; N52-E54 HydrophobicContact CB-CG 4.28Å; N52-E54 PolarHBondContact O-N 3.25Å; N52-E54 VanDerWaalsContact O-N 3.15Å
53I59Low63.5Low91 Ų91132.3 Ų132.347%0.46762%0.621SS.*  trans-90.954.8-178.2-34.4170.5000109R51 D55 F56R51-I53 WeakPolarHBondContact O-CG1 3.25Å; R51-I53 PolarHBondContact O-N 3.28Å; I53-D55 PolarHBondContact O-N 2.63Å; I53-F56 HydrophobicContact CB-CD2 3.74Å; I53-F56 HydrophobicContact CB-CE2 4.47Å; I53-F56 HydrophobicContact CD1-CD2 3.88Å; I53-F56 HydrophobicContact CD1-CE2 3.78Å; I53-F56 HydrophobicContact CG1-CD2 4.4Å; I53-F56 HydrophobicContact CG2-CB 3.88Å; I53-F56 HydrophobicContact CG2-CD2 3.12Å; I53-F56 HydrophobicContact CG2-CE2 3.85Å; I53-F56 HydrophobicContact CG2-CG 3.83Å; I53-F56 PolarHBondContact O-N 3.37Å
54E56Low62.5Low164 Ų164135.4 Ų135.477%0.76664%0.64SS**THydrogen-bonded Turntrans-66.1-23.6178.1-72.4175.3-164.700111.3N52 F56N52-E54 HydrophobicContact CB-CG 4.28Å; N52-E54 PolarHBondContact O-N 3.25Å; N52-E54 VanDerWaalsContact O-N 3.15Å; E54-F56 PolarHBondContact O-N 2.95Å
55D54.9Low61.4Low154 Ų154138.9 Ų138.982%0.82465%0.648SS**THydrogen-bonded Turntrans-96.235.3177.1-56.1-38.4000113.6I53 E57I53-D55 PolarHBondContact O-N 2.63Å; D55-E57 PolarHBondContact O-N 3.04Å
56F53.2Low60.2Low111 Ų111138.6 Ų138.649%0.48764%0.643SS.*  trans-71.690.7177.3-140.5-65.1000110.2I53 E54 T58I53-F56 HydrophobicContact CB-CD2 3.74Å; I53-F56 HydrophobicContact CB-CE2 4.47Å; I53-F56 HydrophobicContact CD1-CD2 3.88Å; I53-F56 HydrophobicContact CD1-CE2 3.78Å; I53-F56 HydrophobicContact CG1-CD2 4.4Å; I53-F56 HydrophobicContact CG2-CB 3.88Å; I53-F56 HydrophobicContact CG2-CD2 3.12Å; I53-F56 HydrophobicContact CG2-CE2 3.85Å; I53-F56 HydrophobicContact CG2-CG 3.83Å; I53-F56 PolarHBondContact O-N 3.37Å; E54-F56 PolarHBondContact O-N 2.95Å; F56-T58 PolarHBondContact O-N 3Å
57E55.7Low58.7Low121 Ų121138.7 Ų138.757%0.56565%0.645SS**  trans-60.9101.8167.4-74.9-177.1163.100109.8D55 K59 K60D55-E57 PolarHBondContact O-N 3.04Å; E57-K59 PolarHBondContact O-N 3.05Å; E57-K59 VanDerWaalsContact O-N 3.09Å; E57-K60 HydrophobicContact CB-CD 4.2Å; E57-K60 WeakPolarHBondContact OE2-CD 3.31Å; E57-K60 WeakPolarHBondContact OE2-CE 3.45Å; E57-K60 IonicContact OE2-NZ 2.66Å; E57-K60 PolarHBondContact OE2-NZ 3.43Å
58T60.6Low57.4Low135 Ų135138.4 Ų138.483%0.82865%0.649SS**THydrogen-bonded Turntrans-64.5-12.4-176.452.10000114.3F56 K60F56-T58 PolarHBondContact O-N 3Å; T58-K60 PolarHBondContact O-N 3.46Å; T58-K60 VanDerWaalsContact O-N 3.11Å
59K61.6Low56.4Low205 Ų205141.4 Ų141.489%0.89166%0.661SS**THydrogen-bonded Turntrans-76.98.3-175-155.2171.1-177.71770114.5E57E57-K59 PolarHBondContact O-N 3.05Å; E57-K59 VanDerWaalsContact O-N 3.09Å
60K55.7Low55.1Low94 Ų94142.5 Ų142.541%0.40966%0.664SS.*  trans-120.2105.2-167.8-65174.8151.6173.40109.7E57 T58 Y62 K65E57-K60 HydrophobicContact CB-CD 4.2Å; E57-K60 WeakPolarHBondContact OE2-CD 3.31Å; E57-K60 WeakPolarHBondContact OE2-CE 3.45Å; E57-K60 IonicContact OE2-NZ 2.66Å; E57-K60 PolarHBondContact OE2-NZ 3.43Å; T58-K60 PolarHBondContact O-N 3.46Å; T58-K60 VanDerWaalsContact O-N 3.11Å; K60-Y62 PolarHBondContact O-N 2.87Å; K60-Y62 VanDerWaalsContact O-N 3.08Å; K60-K65 HydrophobicContact CB-CD 3.74Å; K60-K65 HydrophobicContact CD-CD 3.46Å; K60-K65 VanDerWaalsContact CD-CD 3.46Å; K60-K65 HydrophobicContact CG-CD 3.96Å
61Q57.8Low54.2Low171 Ų171143.8 Ų143.880%0.79967%0.668SS**  trans-70.2-1.5-165.5-164.3150-12.900116.8
62Y53.6Low53.8Low164 Ų164139.3 Ų139.364%0.64367%0.665SS**  trans-140.5130.2-179.2-68.9-79.7000112.3K60 T64K60-Y62 PolarHBondContact O-N 2.87Å; K60-Y62 VanDerWaalsContact O-N 3.08Å; Y62-T64 WeakPolarHBondContact CB-OG1 3.32Å; Y62-T64 PolarHBondContact O-N 3.28Å
63H52.2Low53.9Low176 Ų176137.3 Ų137.382%0.81565%0.654SS**G310 helixtrans-58.37.6170.6-75.8-76.5000114.7K65H63-K65 VanDerWaalsContact C-N 3.28Å; H63-K65 PolarHBondContact O-N 3.1Å
64T48.3Very low54.8Low98 Ų98136.1 Ų136.160%0.60165%0.648SS**G310 helixtrans-78.2-3.3175.751.20000114Y62 K66 H67Y62-T64 WeakPolarHBondContact CB-OG1 3.32Å; Y62-T64 PolarHBondContact O-N 3.28Å; T64-K66 PolarHBondContact O-N 3.14Å; T64-H67 PolarHBondContact O-N 2.93Å; T64-H67 VanDerWaalsContact O-N 3.08Å
65K50.4Low55.8Low126 Ų126132.4 Ų132.455%0.54863%0.633SS.*G310 helixtrans-76.82.9-179.3-66.3-170.6-178.7-159.10116.1K60 H63K60-K65 HydrophobicContact CB-CD 3.74Å; K60-K65 HydrophobicContact CD-CD 3.46Å; K60-K65 VanDerWaalsContact CD-CD 3.46Å; K60-K65 HydrophobicContact CG-CD 3.96Å; H63-K65 VanDerWaalsContact C-N 3.28Å; H63-K65 PolarHBondContact O-N 3.1Å
66K47.1Very low57Low149 Ų149127.4 Ų127.465%0.64861%0.606SS**G310 helixtrans-90.3-3.9164.2-78.4-172.6-179.91800113.3T64 S68T64-K66 PolarHBondContact O-N 3.14Å; K66-S68 PolarHBondContact O-N 3.1Å; K66-S68 VanDerWaalsContact O-N 3.14Å
67H46.2Very low58.2Low142 Ų142127.6 Ų127.666%0.65761%0.609SS**SBendtrans-7791.6165.3-104.9-24.5000108T64 R69T64-H67 PolarHBondContact O-N 2.93Å; T64-H67 VanDerWaalsContact O-N 3.08Å; H67-R69 PolarHBondContact O-N 3.24Å
68S50.1Low59.4Low75 Ų75122.5 Ų122.552%0.52459%0.585SS.*SBend60-3.984.484.50000115.2K66K66-S68 PolarHBondContact O-N 3.1Å; K66-S68 VanDerWaalsContact O-N 3.14Å
69R46.9Very low60.5Low213 Ų213116.8 Ų116.880%0.80455%0.549SS*.SBendtrans-87.7-25173-82.1-175.2154.6177.4-5.8113.1H67H67-R69 PolarHBondContact O-N 3.24Å
70E46.5Very low61.4Low179 Ų179113.1 Ų113.184%0.83653%0.533SS*.SBendtrans-117.6-9.7-175.1-68.1174.5-179.600114.3G72E70-G72 PolarHBondContact O-N 3.11Å
71R54.6Low62.5Low182 Ų182111.2 Ų111.269%0.68753%0.532SS*.SBendtrans-76.294.6177.3-83.4-173.4177.4146.30.7110.1
72G59.8Low63.5Low46 Ų46104.5 Ų104.547%0.47450%0.499SS..SBendtrans93.1-0.3162.400000116.2E70E70-G72 PolarHBondContact O-N 3.11Å
73L62.5Low64.7Low87 Ų87100.2 Ų100.246%0.45549%0.491SS..  trans-102.496.7175.6-62.7177.3000109.5I75L73-I75 HydrophobicContact CB-CG1 4.44Å; L73-I75 PolarHBondContact O-N 2.77Å
74D76.8Confident66Low66 Ų6696.6 Ų96.635%0.35348%0.481SS..  trans-87.984.6164.9-170.1-26.2000108N76 E77 E78D74-N76 PolarHBondContact O-N 2.88Å; D74-N76 VanDerWaalsContact O-N 3.14Å; D74-N76 WeakPolarHBondContact OD1-CB 3.45Å; D74-N76 PolarHBondContact OD1-N 3.47Å; D74-E77 HydrophobicContact CB-CB 4.11Å; D74-E77 HydrophobicContact CB-CG 4.38Å; D74-E77 PolarHBondContact O-N 3.09Å; D74-E77 PolarHBondContact OD1-N 2.48Å; D74-E77 VanDerWaalsContact OD1-N 3.1Å; D74-E77 VanDerWaalsContact OD2-CD 3.29Å; D74-E77 VanDerWaalsContact OD2-CG 3.31Å; D74-E77 WeakPolarHBondContact OD2-CG 3.23Å; D74-E78 VanDerWaalsContact O-CB 3.23Å; D74-E78 WeakPolarHBondContact O-CB 3.18Å; D74-E78 VanDerWaalsContact O-CG 3.22Å; D74-E78 WeakPolarHBondContact O-CG 3.36Å; D74-E78 PolarHBondContact O-N 3.01Å
75I77.1Confident67.5Low86 Ų8694 Ų9444%0.44147%0.47SS..Hα-helixtrans-56.6-33.3-174.9-60.3171.2000110.9L73 E79L73-I75 HydrophobicContact CB-CG1 4.44Å; L73-I75 PolarHBondContact O-N 2.77Å; I75-E79 HydrophobicContact CG2-CG 4.2Å; I75-E79 VanDerWaalsContact O-CB 3.25Å; I75-E79 WeakPolarHBondContact O-CB 3.27Å; I75-E79 VanDerWaalsContact O-CG 3.27Å; I75-E79 WeakPolarHBondContact O-CG 3.11Å; I75-E79 PolarHBondContact O-N 2.59Å
76N79.4Confident68.8Low49 Ų4991 Ų9126%0.26246%0.46SS..Hα-helixtrans-69.3-53.2-179.2-176.3-1000111.2D74 E78 K80 Y92D74-N76 PolarHBondContact O-N 2.88Å; D74-N76 VanDerWaalsContact O-N 3.14Å; D74-N76 WeakPolarHBondContact OD1-CB 3.45Å; D74-N76 PolarHBondContact OD1-N 3.47Å; N76-E78 VanDerWaalsContact C-N 3.3Å; N76-E78 PolarHBondContact O-N 3.21Å; N76-K80 WeakPolarHBondContact O-CB 3.25Å; N76-K80 WeakPolarHBondContact O-CG 3.46Å; N76-K80 PolarHBondContact O-N 3.46Å; N76-K80 WeakPolarHBondContact OD1-CD 3.2Å; N76-K80 WeakPolarHBondContact OD1-CE 3.23Å; N76-K80 PolarHBondContact OD1-NZ 2.9Å; N76-Y92 HydrophobicContact CB-CD2 4.43Å; N76-Y92 WeakPolarHBondContact OD1-CB 3.22Å; N76-Y92 WeakPolarHBondContact OD1-CD1 3.48Å; N76-Y92 VanDerWaalsContact OD1-CG 3.28Å
77E79.6Confident70.3Confident116 Ų11692.5 Ų92.554%0.54247%0.474SS..Hα-helixtrans-61.4-41.8176.2-72.4-171162.200111.9D74 K80 S81D74-E77 HydrophobicContact CB-CB 4.11Å; D74-E77 HydrophobicContact CB-CG 4.38Å; D74-E77 PolarHBondContact O-N 3.09Å; D74-E77 PolarHBondContact OD1-N 2.48Å; D74-E77 VanDerWaalsContact OD1-N 3.1Å; D74-E77 VanDerWaalsContact OD2-CD 3.29Å; D74-E77 VanDerWaalsContact OD2-CG 3.31Å; D74-E77 WeakPolarHBondContact OD2-CG 3.23Å; E77-K80 PolarHBondContact O-N 2.92Å; E77-S81 WeakPolarHBondContact O-CB 3.24Å; E77-S81 PolarHBondContact O-N 3.39Å
78E81.1Confident71.9Confident14 Ų1489.4 Ų89.47%0.06547%0.468CS..Hα-helixtrans-62-50.4179.8-77.9-175.7-179.900111.4F34 D74 N76 K80 S81 R82F34-E78 HydrophobicContact CB-CB 4.04Å; F34-E78 HydrophobicContact CB-CG 4.4Å; F34-E78 HydrophobicContact CD1-CB 4.07Å; F34-E78 VanDerWaalsContact CD2-OE2 3.25Å; F34-E78 WeakPolarHBondContact CD2-OE2 3.34Å; F34-E78 HydrophobicContact CG-CB 4.17Å; F34-E78 WeakPolarHBondContact CG-OE2 3.41Å; D74-E78 VanDerWaalsContact O-CB 3.23Å; D74-E78 WeakPolarHBondContact O-CB 3.18Å; D74-E78 VanDerWaalsContact O-CG 3.22Å; D74-E78 WeakPolarHBondContact O-CG 3.36Å; D74-E78 PolarHBondContact O-N 3.01Å; N76-E78 VanDerWaalsContact C-N 3.3Å; N76-E78 PolarHBondContact O-N 3.21Å; E78-K80 PolarHBondContact O-N 2.92Å; E78-S81 PolarHBondContact O-N 3.42Å; E78-S81 PolarHBondContact O-OG 2.78Å; E78-R82 WeakPolarHBondContact O-CG 3.39Å
79E83.1Confident73.1Confident15 Ų1586.1 Ų86.17%0.0745%0.445CS..Hα-helixtrans-64.3-38.1178.5-75.6-168.6171.800113.1F34 I75 S81 R82 S90F34-E79 HydrophobicContact CD1-CG 4.26Å; F34-E79 HydrophobicContact CE1-CG 4.05Å; I75-E79 HydrophobicContact CG2-CG 4.2Å; I75-E79 VanDerWaalsContact O-CB 3.25Å; I75-E79 WeakPolarHBondContact O-CB 3.27Å; I75-E79 VanDerWaalsContact O-CG 3.27Å; I75-E79 WeakPolarHBondContact O-CG 3.11Å; I75-E79 PolarHBondContact O-N 2.59Å; E79-S81 VanDerWaalsContact C-N 3.28Å; E79-S81 PolarHBondContact O-N 3.35Å; E79-R82 WeakPolarHBondContact O-CB 3.4Å; E79-R82 PolarHBondContact O-N 2.97Å; E79-S90 WeakPolarHBondContact OE2-CB 3.27Å; E79-S90 PolarHBondContact OE2-N 3.31Å; E79-S90 PolarHBondContact OE2-OG 2.97Å
80K79.8Confident74.5Confident127 Ų12777.9 Ų77.955%0.55242%0.42SS*.Hα-helixtrans-61.9-34.9173.6-78.6172.2175.9161.40112.8N76 E77 E78 R82N76-K80 WeakPolarHBondContact O-CB 3.25Å; N76-K80 WeakPolarHBondContact O-CG 3.46Å; N76-K80 PolarHBondContact O-N 3.46Å; N76-K80 WeakPolarHBondContact OD1-CD 3.2Å; N76-K80 WeakPolarHBondContact OD1-CE 3.23Å; N76-K80 PolarHBondContact OD1-NZ 2.9Å; E77-K80 PolarHBondContact O-N 2.92Å; E78-K80 PolarHBondContact O-N 2.92Å; K80-R82 PolarHBondContact O-N 3.15Å
81S79.4Confident75.9Confident55 Ų5576.4 Ų76.439%0.38541%0.413SS..THydrogen-bonded Turntrans-74-8.8-179.180.30000113.8E77 E78 E79E77-S81 WeakPolarHBondContact O-CB 3.24Å; E77-S81 PolarHBondContact O-N 3.39Å; E78-S81 PolarHBondContact O-N 3.42Å; E78-S81 PolarHBondContact O-OG 2.78Å; E79-S81 VanDerWaalsContact C-N 3.28Å; E79-S81 PolarHBondContact O-N 3.35Å
82R79.2Confident76.6Confident29 Ų2973.9 Ų73.911%0.10940%0.404CS..  trans-72.8136.1-175.5-64176.686.4166.34.9111.3Y33 F34 E78 E79 K80 V84Y33-R82 PolarHBondContact O-NE 3.24Å; Y33-R82 PolarHBondContact O-NH2 3.31Å; F34-R82 WeakPolarHBondContact O-CG 3Å; E78-R82 WeakPolarHBondContact O-CG 3.39Å; E79-R82 WeakPolarHBondContact O-CB 3.4Å; E79-R82 PolarHBondContact O-N 2.97Å; K80-R82 PolarHBondContact O-N 3.15Å; R82-V84 VanDerWaalsContact C-N 3.29Å; R82-V84 PolarHBondContact O-N 3.11Å
83P78.5Confident77.1Confident75 Ų7572 Ų7249%0.48739%0.386SS..SBendtrans-71.6-25.6176.728.8-34.6000112.4N35 R95N35-P83 WeakPolarHBondContact ND2-CD 3.4Å; P83-R95 PolarHBondContact O-NH2 2.99Å
84V79.9Confident77.6Confident100 Ų10074 Ų7461%0.60639%0.387SS*.SBendtrans-132.6131.5-177.5-178.10000109.2R82R82-V84 VanDerWaalsContact C-N 3.29Å; R82-V84 PolarHBondContact O-N 3.11Å
85A79.4Confident77.3Confident44 Ų4479 Ų7936%0.36440%0.401SS..  trans-75.3134.4175.300000110.1G93A85-G93 VanDerWaalsContact CB-O 3.27Å; A85-G93 WeakPolarHBondContact CB-O 3.38Å
86L77.6Confident76.6Confident63 Ų6380.5 Ų80.533%0.3341%0.405SS..  trans-91.8161173.3-66.9-169.1000111.6Y33 S88 S89Y33-L86 HydrophobicContact CD2-CD1 4.38Å; Y33-L86 HydrophobicContact CE2-CD1 3.51Å; L86-S88 PolarHBondContact O-N 3.21Å; L86-S89 WeakPolarHBondContact O-CB 3.5Å; L86-S89 PolarHBondContact O-N 2.85Å; L86-S89 PolarHBondContact O-OG 3.46Å
87L79.4Confident75.8Confident180 Ų18082.8 Ų82.894%0.94242%0.417SS*.THydrogen-bonded Turntrans-59.5-34.7171.1-69.8174.7000112.4S89L87-S89 VanDerWaalsContact C-N 3.26Å; L87-S89 PolarHBondContact O-N 3.14Å
88S78.9Confident74.8Confident76 Ų7681.4 Ų81.453%0.53142%0.42SS..THydrogen-bonded Turntrans-80.51.3174.853.60000114Y33 L86Y33-S88 PolarHBondContact OH-OG 3.45Å; L86-S88 PolarHBondContact O-N 3.21Å
89S76.6Confident73.9Confident7 Ų786.3 Ų86.35%0.04945%0.451CS..  trans-66.6138.7-179.961.70000111.5L86 L87 R94L86-S89 WeakPolarHBondContact O-CB 3.5Å; L86-S89 PolarHBondContact O-N 2.85Å; L86-S89 PolarHBondContact O-OG 3.46Å; L87-S89 VanDerWaalsContact C-N 3.26Å; L87-S89 PolarHBondContact O-N 3.14Å; S89-R94 PolarHBondContact O-NE 3.18Å
90S75.1Confident72.9Confident40 Ų4091.3 Ų91.328%0.2848%0.477SS..  trans-67175.8171.482.20000110.7E79 Y92 G93 R94E79-S90 WeakPolarHBondContact OE2-CB 3.27Å; E79-S90 PolarHBondContact OE2-N 3.31Å; E79-S90 PolarHBondContact OE2-OG 2.97Å; S90-Y92 PolarHBondContact O-N 3.32Å; S90-Y92 VanDerWaalsContact O-N 3.11Å; S90-Y92 WeakPolarHBondContact OG-CD2 3.43Å; S90-Y92 PolarHBondContact OG-N 3.4Å; S90-G93 PolarHBondContact O-N 3.22Å; S90-G93 VanDerWaalsContact O-N 3.09Å; S90-R94 WeakPolarHBondContact O-CG 3.1Å; S90-R94 PolarHBondContact O-N 3.09Å
91E75.9Confident71.8Confident147 Ų14790.8 Ų90.869%0.68748%0.48SS*.THydrogen-bonded Turntrans-50.2-34.9172.7-172.2177172.500112.4R94 F96E91-R94 PolarHBondContact O-N 3.21Å; E91-F96 HydrophobicContact CG-CE2 4.39Å
92Y69.9Low71Confident129 Ų12998.4 Ų98.451%0.50650%0.5SS..THydrogen-bonded Turntrans-73.3-32-178.8-54.9-66.6000113.9N76 S90N76-Y92 HydrophobicContact CB-CD2 4.43Å; N76-Y92 WeakPolarHBondContact OD1-CB 3.22Å; N76-Y92 WeakPolarHBondContact OD1-CD1 3.48Å; N76-Y92 VanDerWaalsContact OD1-CG 3.28Å; S90-Y92 PolarHBondContact O-N 3.32Å; S90-Y92 VanDerWaalsContact O-N 3.11Å; S90-Y92 WeakPolarHBondContact OG-CD2 3.43Å; S90-Y92 PolarHBondContact OG-N 3.4Å
93G69.4Low70.4Confident8 Ų8102.6 Ų102.68%0.08253%0.529CS..THydrogen-bonded Turntrans-84.8-10.6176.600000114A85 S90A85-G93 VanDerWaalsContact CB-O 3.27Å; A85-G93 WeakPolarHBondContact CB-O 3.38Å; S90-G93 PolarHBondContact O-N 3.22Å; S90-G93 VanDerWaalsContact O-N 3.09Å
94R73Confident69.9Low128 Ų128103.4 Ų103.448%0.48354%0.542SS..SBendtrans-78.1127.9173-70.7176.8-165.5-142.45.9108.9S89 S90 E91 F96S89-R94 PolarHBondContact O-NE 3.18Å; S90-R94 WeakPolarHBondContact O-CG 3.1Å; S90-R94 PolarHBondContact O-N 3.09Å; E91-R94 PolarHBondContact O-N 3.21Å; R94-F96 HydrophobicContact CB-CD2 3.52Å; R94-F96 HydrophobicContact CB-CE2 3.36Å; R94-F96 HydrophobicContact CB-CG 4.4Å; R94-F96 HydrophobicContact CB-CZ 4.1Å; R94-F96 VanDerWaalsContact CD-CE2 3.44Å; R94-F96 HydrophobicContact CG-CE2 4.03Å; R94-F96 PolarHBondContact O-N 3.08Å
95R70.8Confident69.7Low172 Ų172106.7 Ų106.765%0.64955%0.548SS*.  trans-72.269.3172.8-66.6-176.1172.9-150.9-10.4110.5P83 N97P83-R95 PolarHBondContact O-NH2 2.99Å; R95-N97 PolarHBondContact O-N 3.42Å
96F62.3Low69.8Low117 Ų117115.5 Ų115.551%0.51357%0.572SS.*  trans-7977.8166.2-68.1-68.7000108.3E91 R94 S98E91-F96 HydrophobicContact CG-CE2 4.39Å; R94-F96 HydrophobicContact CB-CD2 3.52Å; R94-F96 HydrophobicContact CB-CE2 3.36Å; R94-F96 HydrophobicContact CB-CG 4.4Å; R94-F96 HydrophobicContact CB-CZ 4.1Å; R94-F96 VanDerWaalsContact CD-CE2 3.44Å; R94-F96 HydrophobicContact CG-CE2 4.03Å; R94-F96 PolarHBondContact O-N 3.08Å; F96-S98 PolarHBondContact O-N 2.66Å
97N62.9Low70.1Confident97 Ų97119.8 Ų119.852%0.51959%0.59SS.*  trans-64.390.5158.5-77.1-16.7000106.4R95 T99 I100R95-N97 PolarHBondContact O-N 3.42Å; N97-T99 PolarHBondContact O-N 3.2Å; N97-I100 HydrophobicContact CB-CB 4.35Å; N97-I100 HydrophobicContact CB-CD1 3.68Å; N97-I100 HydrophobicContact CB-CG1 3.89Å; N97-I100 PolarHBondContact O-N 2.92Å
98S58.8Low70.2Confident87 Ų87115.1 Ų115.161%0.60857%0.571SS**THydrogen-bonded Turntrans-58.4-19.8-174.4780000112F96 R102F96-S98 PolarHBondContact O-N 2.66Å; S98-R102 VanDerWaalsContact O-CB 3.24Å; S98-R102 WeakPolarHBondContact O-CB 3.48Å; S98-R102 PolarHBondContact O-N 2.89Å
99T62.7Low70.5Confident116 Ų116123.6 Ų123.671%0.71259%0.591SS**THydrogen-bonded Turntrans-72-37.5174.452.50000113.3N97N97-T99 PolarHBondContact O-N 3.2Å
100I61.5Low70.8Confident120 Ų120128.1 Ų128.162%0.61562%0.618SS**THydrogen-bonded Turntrans-76.3-35.8-176-58.5175.7000110.9N97N97-I100 HydrophobicContact CB-CB 4.35Å; N97-I100 HydrophobicContact CB-CD1 3.68Å; N97-I100 HydrophobicContact CB-CG1 3.89Å; N97-I100 PolarHBondContact O-N 2.92Å
101N57.4Low71.2Confident116 Ų116129.2 Ų129.262%0.6263%0.629SS**SBendtrans-95.11.5-177-71.6-35.3000114.3T103N101-T103 PolarHBondContact O-N 2.86Å
102R60.8Low71.6Confident215 Ų215127.1 Ų127.181%0.81162%0.622SS**  trans-84.261.4174-165.1171.2-175.4141.3-1.8110S98 A104S98-R102 VanDerWaalsContact O-CB 3.24Å; S98-R102 WeakPolarHBondContact O-CB 3.48Å; S98-R102 PolarHBondContact O-N 2.89Å; R102-A104 PolarHBondContact O-N 3.41Å
103T66.4Low72.2Confident117 Ų117127.1 Ų127.172%0.71863%0.63SS**PPolyproline II helixtrans-64.5130.9159.251.60000107.1N101 K105N101-T103 PolarHBondContact O-N 2.86Å; T103-K105 PolarHBondContact O-N 3.09Å
104A69.9Low72.7Confident92 Ų92134.3 Ų134.376%0.7666%0.659SS**PPolyproline II helixtrans-52.9130.7170.500000107.5R102 R106R102-A104 PolarHBondContact O-N 3.41Å; A104-R106 PolarHBondContact O-N 3.11Å
105K73.9Confident73Confident169 Ų169131.6 Ų131.674%0.73566%0.659SS**PPolyproline II helixtrans-52.9129.6177.7-70.6-175.2178.5-177.30107.7T103 H107 P108T103-K105 PolarHBondContact O-N 3.09Å; K105-H107 PolarHBondContact O-N 3.2Å; K105-H107 VanDerWaalsContact O-N 3.09Å; K105-P108 WeakPolarHBondContact O-CD 3.47Å
106R81.8Confident73.3Confident229 Ų229128.6 Ų128.686%0.86466%0.656SS**SBendtrans-55.3-30.1177.9-170.1178.8173179.5-0.5112.2A104A104-R106 PolarHBondContact O-N 3.11Å
107H83.7Confident73.8Confident153 Ų153130.4 Ų130.471%0.70866%0.664SS**SBendtrans-134.686.5175.9-52.690.2000109.6K105K105-H107 PolarHBondContact O-N 3.2Å; K105-H107 VanDerWaalsContact O-N 3.09Å
108P82.1Confident74.4Confident82 Ų82133.1 Ų133.153%0.53267%0.668SS.*  trans-74.2148175.131.5-30.7000109.9K105 V110K105-P108 WeakPolarHBondContact O-CD 3.47Å; P108-V110 HydrophobicContact CG-CG2 4.47Å; P108-V110 PolarHBondContact O-N 3.08Å
109R84.6Confident75Confident255 Ų255137.8 Ų137.896%0.96267%0.673SS**  trans-71.7112167.2-70.4-176.4179.1169.4-0.2107.9
110V84.8Confident75.6Confident101 Ų101142.8 Ų142.861%0.61268%0.684SS**  trans-90.3127.6175.8-176.60000108.4P108 L112P108-V110 HydrophobicContact CG-CG2 4.47Å; P108-V110 PolarHBondContact O-N 3.08Å; V110-L112 HydrophobicContact CB-CD2 4.42Å; V110-L112 HydrophobicContact CB-CG 4.36Å; V110-L112 HydrophobicContact CG1-CD2 3.72Å; V110-L112 HydrophobicContact CG1-CG 4.06Å; V110-L112 PolarHBondContact O-N 3.06Å
111A83.4Confident76Confident63 Ų63140.7 Ų140.752%0.52168%0.681SS.*  trans-82.565.618000000111.2I113 K114 S115A111-I113 PolarHBondContact O-N 3.47Å; A111-K114 HydrophobicContact CB-CB 4.14Å; A111-K114 HydrophobicContact CB-CD 4.44Å; A111-K114 PolarHBondContact O-N 2.92Å; A111-S115 PolarHBondContact O-N 2.98Å; A111-S115 PolarHBondContact O-OG 3.1Å
112L83.7Confident76.2Confident103 Ų103136.9 Ų136.954%0.53967%0.668SS.*Hα-helixtrans-56-45-175-66.1171.7000112.7V110 K114 S115 D116V110-L112 HydrophobicContact CB-CD2 4.42Å; V110-L112 HydrophobicContact CB-CG 4.36Å; V110-L112 HydrophobicContact CG1-CD2 3.72Å; V110-L112 HydrophobicContact CG1-CG 4.06Å; V110-L112 PolarHBondContact O-N 3.06Å; L112-K114 VanDerWaalsContact C-N 3.27Å; L112-K114 PolarHBondContact O-N 3.07Å; L112-S115 WeakPolarHBondContact CA-OG 3.27Å; L112-S115 PolarHBondContact O-N 3.36Å; L112-S115 VanDerWaalsContact O-N 3.17Å; L112-S115 PolarHBondContact O-OG 3.4Å; L112-D116 VanDerWaalsContact O-CB 3.27Å; L112-D116 WeakPolarHBondContact O-CB 3.15Å; L112-D116 PolarHBondContact O-N 3.07Å
113I81.9Confident76.4Confident130 Ų130130 Ų13067%0.66765%0.647SS**Hα-helixtrans-59.6-40.5178.5-61.7170.7000111A111 F117 Y118A111-I113 PolarHBondContact O-N 3.47Å; I113-F117 HydrophobicContact CG2-CB 4.49Å; I113-F117 WeakPolarHBondContact O-CB 3.41Å; I113-F117 PolarHBondContact O-N 2.84Å; I113-Y118 HydrophobicContact CG2-CE2 4.27Å
114K79.6Confident76.2Confident159 Ų159131.3 Ų131.369%0.69165%0.648SS**Hα-helixtrans-70.4-36.9179.1-73.3-173.2177.2-175.60112.3A111 L112A111-K114 HydrophobicContact CB-CB 4.14Å; A111-K114 HydrophobicContact CB-CD 4.44Å; A111-K114 PolarHBondContact O-N 2.92Å; L112-K114 VanDerWaalsContact C-N 3.27Å; L112-K114 PolarHBondContact O-N 3.07Å
115S79Confident75.5Confident70 Ų70137.5 Ų137.549%0.4965%0.652SS.*Hα-helixtrans-74.5-39.5178.355.60000112.9A111 L112A111-S115 PolarHBondContact O-N 2.98Å; A111-S115 PolarHBondContact O-OG 3.1Å; L112-S115 WeakPolarHBondContact CA-OG 3.27Å; L112-S115 PolarHBondContact O-N 3.36Å; L112-S115 VanDerWaalsContact O-N 3.17Å; L112-S115 PolarHBondContact O-OG 3.4Å
116D77.3Confident74.7Confident109 Ų109133 Ų13358%0.58364%0.642SS**Hα-helixtrans-91.4-38.6-166.4-60-3.2000111.3L112L112-D116 VanDerWaalsContact O-CB 3.27Å; L112-D116 WeakPolarHBondContact O-CB 3.15Å; L112-D116 PolarHBondContact O-N 3.07Å
117F74.8Confident73.4Confident156 Ų156131.5 Ų131.568%0.68465%0.647SS**THydrogen-bonded Turntrans-89.8-40.2-175.1-165-99.2000112.7I113 R119I113-F117 HydrophobicContact CG2-CB 4.49Å; I113-F117 WeakPolarHBondContact O-CB 3.41Å; I113-F117 PolarHBondContact O-N 2.84Å; F117-R119 PolarHBondContact O-N 3.17Å
118Y75Confident72Confident154 Ų154127.3 Ų127.360%0.60464%0.639SS**  trans-99.387.3-174.7-61.3-84.3000110.9I113I113-Y118 HydrophobicContact CG2-CE2 4.27Å
119R71.9Confident70.7Confident184 Ų184133.5 Ų133.569%0.69466%0.661SS**  trans-77.9136.6174.5-64.1-168.3178.8-143.90.7110.8F117 S121 G122F117-R119 PolarHBondContact O-N 3.17Å; R119-S121 PolarHBondContact O-N 3.28Å; R119-S121 VanDerWaalsContact O-N 3.1Å; R119-G122 PolarHBondContact O-N 3.31Å
120K73.6Confident69.4Low221 Ų221124.2 Ų124.296%0.96164%0.644SS**THydrogen-bonded Turntrans-60.8-20.3178-66.9-175.4179.3-1790113.8
121S69.6Low68Low77 Ų77130.7 Ų130.754%0.53866%0.659SS.*THydrogen-bonded Turntrans-84.2-6.7-176.153.60000114.4R119 I123R119-S121 PolarHBondContact O-N 3.28Å; R119-S121 VanDerWaalsContact O-N 3.1Å; S121-I123 WeakPolarHBondContact O-CG1 3.4Å; S121-I123 PolarHBondContact O-N 2.9Å
122G63.3Low66.4Low35 Ų35129.3 Ų129.336%0.36165%0.651SS.*  trans63.9-1.8179.100000115.8R119R119-G122 PolarHBondContact O-N 3.31Å
123I64.7Low65.1Low70 Ų70129.4 Ų129.436%0.35966%0.66SS.*  trans-91.6112.7-177-58.8157.1000109.4S121 V134S121-I123 WeakPolarHBondContact O-CG1 3.4Å; S121-I123 PolarHBondContact O-N 2.9Å; I123-V134 HydrophobicContact CG1-CG1 4.21Å; I123-V134 HydrophobicContact CG2-CG1 4.18Å
124I61.8Low63.9Low146 Ų146127.8 Ų127.875%0.74966%0.657SS**  trans-91.8112.8168.817.1170.4000108.3S126I124-S126 PolarHBondContact O-N 3.03Å
125W55Low62.7Low221 Ų221125.1 Ų125.184%0.83765%0.654SS**  trans-80.4108.5172.1-76.857.6000108.5
126S56.8Low61.5Low76 Ų76126.7 Ų126.753%0.53166%0.662SS.*  trans-82.9122.6167.857.80000109.3I124 A128I124-S126 PolarHBondContact O-N 3.03Å; S126-A128 PolarHBondContact O-N 3.38Å
127M55Low60.2Low197 Ų197132.1 Ų132.197%0.9769%0.69SS**  trans-81.254.9173.2-68.5179.9-84.400110.4
128A54.8Low59.5Low65 Ų65130.9 Ų130.954%0.53769%0.69SS.*  trans-87.2133.1163.500000107.7S126 G130S126-A128 PolarHBondContact O-N 3.38Å; A128-G130 PolarHBondContact O-N 3.03Å
129E54.4Low58.7Low212 Ų212129.7 Ų129.799%0.99169%0.694SS**SBendtrans-55.2105.1174.6-80.5177.8147.800109.6
130G56.4Low58Low59 Ų59126.7 Ų126.761%0.60869%0.694SS**SBendtrans111.892.9-174.500000111.8A128 G132A128-G130 PolarHBondContact O-N 3.03Å; G130-G132 PolarHBondContact O-N 3.35Å
131Y56.6Low57.1Low237 Ų237121.1 Ų121.193%0.92968%0.679SS**  trans-592171.1-72.6-91.4000115.2
132G49.1Very low56.3Low34 Ų34123.9 Ų123.935%0.35169%0.688SS.*  trans-63.6138.5176.500000112.3G130 V134G130-G132 PolarHBondContact O-N 3.35Å; G132-V134 PolarHBondContact O-N 3.23Å
133S57.3Low55.8Low105 Ų105129.8 Ų129.873%0.73471%0.709SS**  trans-52.5125.3173.8174.60000111.4V135S133-V135 PolarHBondContact O-N 2.92Å
134V55.3Low55.2Low97 Ų97134.1 Ų134.159%0.58873%0.734SS**  trans-77.6101.9170.9179.70000107.8I123 G132 P136I123-V134 HydrophobicContact CG1-CG1 4.21Å; I123-V134 HydrophobicContact CG2-CG1 4.18Å; G132-V134 PolarHBondContact O-N 3.23Å; V134-P136 WeakPolarHBondContact O-CD 3.42Å
135V54.7Low54.7Low103 Ų103133.2 Ų133.262%0.62473%0.733SS**  trans-96.4111.1168.6-1770000107.8S133S133-V135 PolarHBondContact O-N 2.92Å
136P54.6Low54.6Low103 Ų103125.8 Ų125.867%0.66973%0.725SS**  trans-69.3140.216929.1-31.2000109.7V134V134-P136 WeakPolarHBondContact O-CD 3.42Å
137L50.8Low54.4Low222 Ų222130.4 Ų130.4100%1.16274%0.742SS**  trans-75.60166.1-84.5164.3000111

Retrieved 137 of 137 residues in 200.3 ms (Link to these results)