A0A077ZI31_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZI31, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 130 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
1M43.3Very low35Very low249 Ų249161.7 Ų161.7100%1.22782%0.817SS**  0112.70-80.3177.7170.100109.4
2A31.7Very low35.4Very low98 Ų98161.1 Ų161.181%0.8181%0.805SS**  trans-170.198.1166.600000106.5
3R29.1Very low35.9Very low248 Ų248151.2 Ų151.294%0.93676%0.764SS**  76.4114.183.7-78.8-168.2177.5-159.20.8115.5
4S28.6Very low36.7Very low100 Ų100143.7 Ų143.770%0.69974%0.737SS**  trans66.7110.2144.2-1720000119.6
5I38.7Very low37.5Very low147 Ų147143.1 Ų143.175%0.75473%0.727SS**  trans-121.990.9153.1-51.3173.2000106.4
6R30.3Very low38.3Very low225 Ų225135.4 Ų135.485%0.84969%0.69SS**  trans-82.8133.7164-87.9-174.8-177.7174.70.7109
7S30Very low38.9Very low89 Ų89132.9 Ų132.962%0.62268%0.675SS**  trans58.1140.6152.1940000122.1
8E36.1Very low39.7Very low145 Ų145128.1 Ų128.168%0.67865%0.653SS**  trans72.698.9139.3-79.7159.213900119.5T10E8-T10 VanDerWaalsContact C-N 3.33Å; E8-T10 PolarHBondContact O-N 3.11Å; E8-T10 PolarHBondContact O-OG1 2.79Å
9T36.4Very low40.2Very low145 Ų145126.3 Ų126.389%0.8965%0.649SS**  53.236.612445.40000118
10T40.9Very low40.7Very low115 Ų115125 Ų12571%0.70665%0.647SS**  trans-120120.3164.227.80000110.3E8 K12E8-T10 VanDerWaalsContact C-N 3.33Å; E8-T10 PolarHBondContact O-N 3.11Å; E8-T10 PolarHBondContact O-OG1 2.79Å; T10-K12 PolarHBondContact O-N 3.15Å
11R40.2Very low41Very low218 Ų218123.5 Ų123.582%0.82366%0.663SS**  trans-47.198.2173.7-69.6178.5179.3-168.2-0.3109.9A13R11-A13 PolarHBondContact O-N 2.85Å
12K39.2Very low41.6Very low154 Ų154115.1 Ų115.167%0.6764%0.641SS**  trans-73.2101.2171.9-78.4-173.3177.8179.80108.4T10 A14T10-K12 PolarHBondContact O-N 3.15Å; K12-A14 PolarHBondContact O-N 3.08Å
13A42.3Very low42.1Very low33 Ų33117.5 Ų117.527%0.27364%0.635SS.*  trans-51.1104.8157.900000108.5R11 F15 V28R11-A13 PolarHBondContact O-N 2.85Å; A13-F15 HydrophobicContact CB-CE2 4.26Å; A13-F15 PolarHBondContact O-N 2.74Å; A13-V28 HydrophobicContact CB-CG1 3.63Å
14A46.4Very low43.2Very low46 Ų46114.5 Ų114.538%0.3862%0.624SS.*EExtended strand (participates in β ladder)trans-73.2109.9168.500000107K12 C16K12-A14 PolarHBondContact O-N 3.08Å; A14-C16 PolarHBondContact O-N 3.44Å
15F48.7Very low44.3Very low134 Ų134113 Ų11359%0.58861%0.61SS**EExtended strand (participates in β ladder)trans-77.8116168.5-81.2-95.7000107.8A13 V28A13-F15 HydrophobicContact CB-CE2 4.26Å; A13-F15 PolarHBondContact O-N 2.74Å; F15-V28 HydrophobicContact CD1-CG2 3.44Å; F15-V28 VanDerWaalsContact CD1-CG2 3.44Å; F15-V28 HydrophobicContact CD2-CG2 4.25Å; F15-V28 HydrophobicContact CE1-CG2 3.15Å; F15-V28 HydrophobicContact CE2-CG2 4.01Å; F15-V28 HydrophobicContact CG-CG2 4Å; F15-V28 HydrophobicContact CZ-CG2 3.46Å; F15-V28 VanDerWaalsContact CZ-CG2 3.46Å
16C50.1Low44.9Very low21 Ų21114.2 Ų114.214%0.14261%0.605CS.*EExtended strand (participates in β ladder)trans-103.7112.8169.6-66.50000108.2A14 S27 C36A14-C16 PolarHBondContact O-N 3.44Å; C16-S27 PolarHBondContact N-O 2.91Å; C16-S27 PolarHBondContact O-N 2.68Å; C16-C36 HydrophobicContact CB-CB 4.08Å; C16-C36 WeakPolarHBondContact CB-SG 3.35Å; C16-C36 WeakPolarHBondContact SG-CB 3.26Å; C16-C36 CovalentContact SG-SG 2.03Å; C16-C36 PolarHBondContact SG-SG 2.88Å
17E49.3Very low45.9Very low93 Ų93106 Ų10644%0.43558%0.582SS.*EExtended strand (participates in β ladder)trans-80.9117.5165.4-79.8-174.9-177.400107.9R26E17-R26 HydrophobicContact CG-CG 3.58Å; E17-R26 IonicContact OE1-CZ 3.11Å; E17-R26 IonicContact OE1-NE 2.71Å; E17-R26 PolarHBondContact OE1-NE 3.37Å; E17-R26 IonicContact OE1-NH2 2.7Å; E17-R26 PolarHBondContact OE1-NH2 2.8Å
18T53Low46.7Very low45 Ų45104.9 Ų104.928%0.27657%0.571SS.*EExtended strand (participates in β ladder)trans-118.7128.817045.70000109.2V25T18-V25 PolarHBondContact N-O 3.39Å; T18-V25 PolarHBondContact O-N 3.28Å
19T48.6Very low47.4Very low94 Ų9499.5 Ų99.558%0.57755%0.55SS*.EExtended strand (participates in β ladder)trans-95.2105.9177.1-33.20000108E23 R24T19-E23 WeakPolarHBondContact CA-O 3.36Å; T19-R24 HydrophobicContact CG2-CG 4.21Å
20T51.9Low47.6Very low100 Ų100101.3 Ų101.361%0.61354%0.54SS*.EExtended strand (participates in β ladder)trans-112.6112.1177.26.90000108.9G22 E23T20-G22 VanDerWaalsContact C-N 3.34Å; T20-G22 PolarHBondContact O-N 3.06Å; T20-E23 PolarHBondContact N-O 2.74Å; T20-E23 VanDerWaalsContact N-O 3.07Å; T20-E23 PolarHBondContact O-N 2.88Å
21G46.1Very low47.7Very low94 Ų9499.8 Ų99.897%0.96954%0.535SS*.THydrogen-bonded Turntrans68.526.2176.500000115.2
22G54.9Low47.8Very low74 Ų7494.2 Ų94.276%0.76352%0.521SS*.THydrogen-bonded Turntrans94.2-11.1-17900000114.6T20T20-G22 VanDerWaalsContact C-N 3.34Å; T20-G22 PolarHBondContact O-N 3.06Å
23E42.2Very low48.1Very low147 Ų14791.6 Ų91.669%0.68753%0.527SS*.EExtended strand (participates in β ladder)trans-100.2129.9179.4-155.6173.6165.200110.7T19 T20T19-E23 WeakPolarHBondContact CA-O 3.36Å; T20-E23 PolarHBondContact N-O 2.74Å; T20-E23 VanDerWaalsContact N-O 3.07Å; T20-E23 PolarHBondContact O-N 2.88Å
24R52.9Low48.3Very low186 Ų18694.3 Ų94.370%0.70254%0.542SS*.EExtended strand (participates in β ladder)trans-85.2112.3178.4-67.4-171.4-168.5-176.55.9109.5T19T19-R24 HydrophobicContact CG2-CG 4.21Å
25V51.1Low48.4Very low69 Ų6995.7 Ų95.742%0.41854%0.543SS..EExtended strand (participates in β ladder)trans-105.5119.6174.5-174.80000108.9T18T18-V25 PolarHBondContact N-O 3.39Å; T18-V25 PolarHBondContact O-N 3.28Å
26R51.9Low48.1Very low171 Ų17191.4 Ų91.465%0.64553%0.528SS*.EExtended strand (participates in β ladder)trans-88.8110.4171.5-78.1177.9176.2-175.1-0.6108.8E17E17-R26 HydrophobicContact CG-CG 3.58Å; E17-R26 IonicContact OE1-CZ 3.11Å; E17-R26 IonicContact OE1-NE 2.71Å; E17-R26 PolarHBondContact OE1-NE 3.37Å; E17-R26 IonicContact OE1-NH2 2.7Å; E17-R26 PolarHBondContact OE1-NH2 2.8Å
27S50.9Low47.8Very low52 Ų5294 Ų9436%0.36455%0.552SS.*EExtended strand (participates in β ladder)trans-105.6131.217061.40000110C16C16-S27 PolarHBondContact N-O 2.91Å; C16-S27 PolarHBondContact O-N 2.68Å
28V48.4Very low47.5Very low66 Ų6691.9 Ų91.940%0.456%0.555SS.*EExtended strand (participates in β ladder)trans-99.7111.3173176.70000108A13 F15A13-V28 HydrophobicContact CB-CG1 3.63Å; F15-V28 HydrophobicContact CD1-CG2 3.44Å; F15-V28 VanDerWaalsContact CD1-CG2 3.44Å; F15-V28 HydrophobicContact CD2-CG2 4.25Å; F15-V28 HydrophobicContact CE1-CG2 3.15Å; F15-V28 HydrophobicContact CE2-CG2 4.01Å; F15-V28 HydrophobicContact CG-CG2 4Å; F15-V28 HydrophobicContact CZ-CG2 3.46Å; F15-V28 VanDerWaalsContact CZ-CG2 3.46Å
29S50Low47.3Very low32 Ų3293.8 Ų93.822%0.22456%0.563CS.*EExtended strand (participates in β ladder)trans-106.5119.7170.959.30000109.6S31S29-S31 PolarHBondContact O-N 3.4Å
30W40.7Very low47.2Very low183 Ų18394.6 Ų94.669%0.69357%0.572SS**SBendtrans-82.12.7175.7-71.30.8000113.4
31S42.3Very low46.8Very low84 Ų84100.4 Ų100.459%0.58758%0.583SS**SBendtrans-148.3132.5178.1-570000108S29S29-S31 PolarHBondContact O-N 3.4Å
32L43.6Very low46.9Very low101 Ų101105.6 Ų105.653%0.52957%0.573SS.*  trans87.386.9175.5-59.9100.5000118.2P34 I35L32-P34 HydrophobicContact CB-CG 4.31Å; L32-P34 HydrophobicContact CD2-CG 4.25Å; L32-I35 HydrophobicContact CB-CB 4.31Å; L32-I35 HydrophobicContact CB-CD1 3.53Å; L32-I35 HydrophobicContact CB-CG1 3.56Å; L32-I35 HydrophobicContact CD1-CD1 3.86Å; L32-I35 HydrophobicContact CD2-CD1 3.91Å; L32-I35 HydrophobicContact CD2-CG1 3.93Å; L32-I35 HydrophobicContact CG-CD1 3.95Å; L32-I35 HydrophobicContact CG-CG1 4.25Å; L32-I35 PolarHBondContact O-N 3.45Å
33A44.5Very low46.8Very low98 Ų98107 Ų10781%0.8157%0.569SS**THydrogen-bonded Turntrans-51.8-22.415700000116.3
34P46.4Very low47.5Very low90 Ų90105.3 Ų105.358%0.58457%0.57SS**THydrogen-bonded Turntrans-88.8-8.9174.731.2-35.2000115.7L32 C36 A37L32-P34 HydrophobicContact CB-CG 4.31Å; L32-P34 HydrophobicContact CD2-CG 4.25Å; P34-C36 VanDerWaalsContact C-N 3.33Å; P34-C36 PolarHBondContact O-N 2.89Å; P34-A37 PolarHBondContact O-N 2.89Å
35I49Very low47.6Very low76 Ų7699.6 Ų99.639%0.3956%0.556SS.*Hα-helixtrans-69-33.2-177.6-69.9177000111.5L32 A37 G38 I39L32-I35 HydrophobicContact CB-CB 4.31Å; L32-I35 HydrophobicContact CB-CD1 3.53Å; L32-I35 HydrophobicContact CB-CG1 3.56Å; L32-I35 HydrophobicContact CD1-CD1 3.86Å; L32-I35 HydrophobicContact CD2-CD1 3.91Å; L32-I35 HydrophobicContact CD2-CG1 3.93Å; L32-I35 HydrophobicContact CG-CD1 3.95Å; L32-I35 HydrophobicContact CG-CG1 4.25Å; L32-I35 PolarHBondContact O-N 3.45Å; I35-A37 VanDerWaalsContact C-N 3.3Å; I35-A37 PolarHBondContact O-N 3.4Å; I35-G38 PolarHBondContact O-N 3.47Å; I35-I39 HydrophobicContact CG2-CD1 3.87Å; I35-I39 HydrophobicContact CG2-CG1 4.46Å; I35-I39 WeakPolarHBondContact O-CG1 3.49Å
36C42.5Very low47.8Very low43 Ų4398.9 Ų98.929%0.29155%0.553SS.*Hα-helixtrans-71.8-21-177.4-58.80000113.8C16 P34C16-C36 HydrophobicContact CB-CB 4.08Å; C16-C36 WeakPolarHBondContact CB-SG 3.35Å; C16-C36 WeakPolarHBondContact SG-CB 3.26Å; C16-C36 CovalentContact SG-SG 2.03Å; C16-C36 PolarHBondContact SG-SG 2.88Å; P34-C36 VanDerWaalsContact C-N 3.33Å; P34-C36 PolarHBondContact O-N 2.89Å
37A44.2Very low47.9Very low76 Ų7695.7 Ų95.763%0.62856%0.557SS**Hα-helixtrans-80.3-25.1173.200000113.1P34 I35P34-A37 PolarHBondContact O-N 2.89Å; I35-A37 VanDerWaalsContact C-N 3.3Å; I35-A37 PolarHBondContact O-N 3.4Å
38G42.3Very low48.4Very low49 Ų49100.5 Ų100.551%0.50557%0.568SS.*Hα-helixtrans-84.6-15.8-175.200000115.4I35I35-G38 PolarHBondContact O-N 3.47Å
39I48.2Very low48.5Very low85 Ų85103 Ų10344%0.43657%0.574SS.*Hα-helixtrans-84.8-28.2-177.3-59.7165.6000111.1I35 R41I35-I39 HydrophobicContact CG2-CD1 3.87Å; I35-I39 HydrophobicContact CG2-CG1 4.46Å; I35-I39 WeakPolarHBondContact O-CG1 3.49Å; I39-R41 VanDerWaalsContact C-N 3.31Å; I39-R41 PolarHBondContact O-N 3.25Å
40S46.3Very low48.8Very low111 Ų111107.6 Ų107.678%0.77659%0.586SS**THydrogen-bonded Turntrans-79.2-5.8-172.2-150.50000115.2
41R45Very low49.6Very low222 Ų222108.4 Ų108.484%0.83859%0.589SS**THydrogen-bonded Turntrans-114.416.8179.3-63.5-168.5-169.9-150.53114I39 P43I39-R41 VanDerWaalsContact C-N 3.31Å; I39-R41 PolarHBondContact O-N 3.25Å; R41-P43 WeakPolarHBondContact O-CD 3.41Å
42R48.9Very low50.4Low202 Ų202107.3 Ų107.376%0.76259%0.585SS**  trans-77.6114.3171.1-71.4-171.9-177.6-1300.9108.1
43P51.5Low51Low104 Ų104104.9 Ų104.968%0.67558%0.579SS**  trans-55.4147.4172.923.8-32.1000108.6R41 V45R41-P43 WeakPolarHBondContact O-CD 3.41Å; P43-V45 PolarHBondContact O-N 2.93Å
44P56.7Low51.7Low111 Ų111108.3 Ų108.372%0.72157%0.571SS**  trans-51.9113-178.319.8-31.2000108.7P46P44-P46 WeakPolarHBondContact O-CD 3.49Å
45V55.2Low52.5Low66 Ų66108.2 Ų108.240%0.457%0.569SS.*  trans-56.9117178.7-172.60000106.1P43 S47 K49 R50P43-V45 PolarHBondContact O-N 2.93Å; V45-S47 PolarHBondContact O-N 3.1Å; V45-K49 HydrophobicContact CG1-CB 3.59Å; V45-R50 HydrophobicContact CB-CG 3.96Å; V45-R50 HydrophobicContact CG1-CG 3.94Å; V45-R50 PolarHBondContact O-NE 3.34Å
46P55.8Low53Low55 Ų55111.1 Ų111.136%0.35758%0.579SS.*  trans-52.8140.5-178.2-27.434.5000109.8P44 Y48 K49 R50P44-P46 WeakPolarHBondContact O-CD 3.49Å; P46-Y48 HydrophobicContact CB-CD1 3.35Å; P46-Y48 HydrophobicContact CB-CE1 3.07Å; P46-Y48 HydrophobicContact CB-CG 4.27Å; P46-Y48 HydrophobicContact CG-CD1 4.44Å; P46-Y48 HydrophobicContact CG-CE1 3.71Å; P46-Y48 PolarHBondContact O-N 2.88Å; P46-K49 PolarHBondContact O-N 3.41Å; P46-R50 PolarHBondContact O-N 2.93Å
47S54.6Low53.9Low104 Ų104114.5 Ų114.573%0.72759%0.594SS**Hα-helixtrans-51.1-33.5-174.650.40000112.9V45 R50 R51V45-S47 PolarHBondContact O-N 3.1Å; S47-R50 PolarHBondContact O-N 3.33Å; S47-R51 PolarHBondContact O-N 2.86Å; S47-R51 VanDerWaalsContact O-N 3.07Å
48Y60.8Low54.8Low153 Ų153118.3 Ų118.360%0.660%0.596SS**Hα-helixtrans-63-41174.673.1-97000113.3P46 R51 A52P46-Y48 HydrophobicContact CB-CD1 3.35Å; P46-Y48 HydrophobicContact CB-CE1 3.07Å; P46-Y48 HydrophobicContact CB-CG 4.27Å; P46-Y48 HydrophobicContact CG-CD1 4.44Å; P46-Y48 HydrophobicContact CG-CE1 3.71Å; P46-Y48 PolarHBondContact O-N 2.88Å; Y48-R51 PolarHBondContact O-N 2.86Å; Y48-A52 PolarHBondContact O-N 2.89Å; Y48-A52 VanDerWaalsContact O-N 3.09Å
49K50.6Low55.7Low119 Ų119120.2 Ų120.252%0.51760%0.598SS.*Hα-helixtrans-70.7-32.7175.9-67.7-160.5178.8-175.90112V45 P46 R51 A52 A53V45-K49 HydrophobicContact CG1-CB 3.59Å; P46-K49 PolarHBondContact O-N 3.41Å; K49-R51 VanDerWaalsContact C-N 3.35Å; K49-A52 PolarHBondContact O-N 3.31Å; K49-A53 WeakPolarHBondContact O-CB 3.07Å; K49-A53 PolarHBondContact O-N 3.18Å
50R55.2Low56.3Low127 Ų127120 Ų12048%0.47960%0.597SS.*Hα-helixtrans-65.9-37.6173.9-62.8-170.7-166.9-152.32.1111.9V45 P46 S47 R54V45-R50 HydrophobicContact CB-CG 3.96Å; V45-R50 HydrophobicContact CG1-CG 3.94Å; V45-R50 PolarHBondContact O-NE 3.34Å; P46-R50 PolarHBondContact O-N 2.93Å; S47-R50 PolarHBondContact O-N 3.33Å; R50-R54 WeakPolarHBondContact O-CG 3.38Å; R50-R54 PolarHBondContact O-N 3.37Å
51R58.9Low57.2Low200 Ų200117 Ų11776%0.75558%0.577SS**Hα-helixtrans-67.5-46.7176.4-130.2-179.3-160.9-157.35111S47 Y48 K49 A53 R54 V55S47-R51 PolarHBondContact O-N 2.86Å; S47-R51 VanDerWaalsContact O-N 3.07Å; Y48-R51 PolarHBondContact O-N 2.86Å; K49-R51 VanDerWaalsContact C-N 3.35Å; R51-A53 VanDerWaalsContact C-N 3.35Å; R51-A53 PolarHBondContact O-N 2.87Å; R51-R54 PolarHBondContact O-N 3.41Å; R51-V55 WeakPolarHBondContact O-CG2 3.07Å; R51-V55 PolarHBondContact O-N 3.49Å
52A58.7Low58.2Low61 Ų61108.9 Ų108.950%0.50456%0.557SS.*Hα-helixtrans-59.4-43.2176.100000112.2Y48 K49 V55 F56Y48-A52 PolarHBondContact O-N 2.89Å; Y48-A52 VanDerWaalsContact O-N 3.09Å; K49-A52 PolarHBondContact O-N 3.31Å; A52-V55 PolarHBondContact O-N 3.12Å; A52-F56 WeakPolarHBondContact O-CB 3.23Å; A52-F56 PolarHBondContact O-N 2.82Å
53A56.6Low59Low50 Ų50108.3 Ų108.341%0.41356%0.555SS.*Hα-helixtrans-63.8-41.1176.200000112.8K49 R51 F56 L57K49-A53 WeakPolarHBondContact O-CB 3.07Å; K49-A53 PolarHBondContact O-N 3.18Å; R51-A53 VanDerWaalsContact C-N 3.35Å; R51-A53 PolarHBondContact O-N 2.87Å; A53-F56 PolarHBondContact O-N 3.18Å; A53-L57 WeakPolarHBondContact O-CB 3.36Å; A53-L57 VanDerWaalsContact O-CG 3.25Å; A53-L57 WeakPolarHBondContact O-CG 3.38Å; A53-L57 PolarHBondContact O-N 3.47Å
54R59.5Low59.3Low170 Ų170109 Ų10964%0.64255%0.55SS**Hα-helixtrans-65.9-39.9175.5-75.7-175.4-141.5-1763.9112.5R50 R51 K58R50-R54 WeakPolarHBondContact O-CG 3.38Å; R50-R54 PolarHBondContact O-N 3.37Å; R51-R54 PolarHBondContact O-N 3.41Å; R54-K58 WeakPolarHBondContact O-CB 3.35Å; R54-K58 WeakPolarHBondContact O-CG 3.28Å; R54-K58 PolarHBondContact O-N 2.78Å
55V62.4Low59.6Low88 Ų88112.1 Ų112.153%0.53355%0.548SS..Hα-helixtrans-65-47.9176.1173.90000109.6R51 A52 L57 K58 T59R51-V55 WeakPolarHBondContact O-CG2 3.07Å; R51-V55 PolarHBondContact O-N 3.49Å; A52-V55 PolarHBondContact O-N 3.12Å; V55-L57 PolarHBondContact O-N 3.48Å; V55-K58 PolarHBondContact O-N 2.59Å; V55-K58 VanDerWaalsContact O-N 3.16Å; V55-T59 PolarHBondContact O-N 3.43Å; V55-T59 PolarHBondContact O-OG1 2.98Å
56F58.2Low60.1Low137 Ų137117.7 Ų117.760%0.60156%0.562SS**Hα-helixtrans-57.7-45.2177.1-171.9-99.9000112.2A52 A53 K58 T59 L60A52-F56 WeakPolarHBondContact O-CB 3.23Å; A52-F56 PolarHBondContact O-N 2.82Å; A53-F56 PolarHBondContact O-N 3.18Å; F56-K58 PolarHBondContact O-N 2.89Å; F56-T59 PolarHBondContact O-N 2.82Å; F56-L60 HydrophobicContact CD1-CD1 4.26Å; F56-L60 HydrophobicContact CE1-CD1 3.5Å; F56-L60 HydrophobicContact CZ-CD1 3.81Å; F56-L60 WeakPolarHBondContact O-CB 3.27Å; F56-L60 PolarHBondContact O-N 3.19Å
57L61.8Low60.6Low114 Ų114119.2 Ų119.260%0.59757%0.566SS**Hα-helixtrans-65.7-36.9176.8-72.6168.2000113A53 V55 S61A53-L57 WeakPolarHBondContact O-CB 3.36Å; A53-L57 VanDerWaalsContact O-CG 3.25Å; A53-L57 WeakPolarHBondContact O-CG 3.38Å; A53-L57 PolarHBondContact O-N 3.47Å; V55-L57 PolarHBondContact O-N 3.48Å; L57-S61 WeakPolarHBondContact O-CB 3.44Å; L57-S61 PolarHBondContact O-N 3.27Å; L57-S61 PolarHBondContact O-OG 2.83Å
58K63.2Low60.6Low157 Ų157116.6 Ų116.668%0.68355%0.551SS**Hα-helixtrans-65.1-44.5173-79.8-175.4177.3-172.20111.6R54 V55 F56 S61 A62R54-K58 WeakPolarHBondContact O-CB 3.35Å; R54-K58 WeakPolarHBondContact O-CG 3.28Å; R54-K58 PolarHBondContact O-N 2.78Å; V55-K58 PolarHBondContact O-N 2.59Å; V55-K58 VanDerWaalsContact O-N 3.16Å; F56-K58 PolarHBondContact O-N 2.89Å; K58-S61 WeakPolarHBondContact CA-OG 3.34Å; K58-S61 PolarHBondContact O-OG 2.85Å; K58-A62 PolarHBondContact O-N 3.36Å; K58-A62 VanDerWaalsContact O-N 3.07Å
59T62.5Low60.7Low88 Ų88113.2 Ų113.254%0.5455%0.546SS..Hα-helixtrans-66.5-39.5177.8-46.70000111.5V55 F56 A62 R63V55-T59 PolarHBondContact O-N 3.43Å; V55-T59 PolarHBondContact O-OG1 2.98Å; F56-T59 PolarHBondContact O-N 2.82Å; T59-A62 PolarHBondContact O-N 2.97Å; T59-R63 PolarHBondContact O-N 3.11Å
60L59Low61.3Low81 Ų81112.9 Ų112.942%0.42455%0.546SS..Hα-helixtrans-69.1-41179.6-159.9141.1000111.4F56 A62 R63 M64F56-L60 HydrophobicContact CD1-CD1 4.26Å; F56-L60 HydrophobicContact CE1-CD1 3.5Å; F56-L60 HydrophobicContact CZ-CD1 3.81Å; F56-L60 WeakPolarHBondContact O-CB 3.27Å; F56-L60 PolarHBondContact O-N 3.19Å; L60-A62 VanDerWaalsContact C-N 3.34Å; L60-A62 PolarHBondContact O-N 3.24Å; L60-R63 PolarHBondContact O-N 3.33Å; L60-M64 HydrophobicContact CD2-CG 4.04Å; L60-M64 WeakPolarHBondContact O-CB 3.36Å; L60-M64 VanDerWaalsContact O-CG 3.27Å; L60-M64 WeakPolarHBondContact O-CG 3.34Å; L60-M64 PolarHBondContact O-N 2.75Å
61S65.9Low61.4Low49 Ų49109.3 Ų109.334%0.34354%0.544SS..Hα-helixtrans-64.1-36172.958.50000112.8L57 K58 R65L57-S61 WeakPolarHBondContact O-CB 3.44Å; L57-S61 PolarHBondContact O-N 3.27Å; L57-S61 PolarHBondContact O-OG 2.83Å; K58-S61 WeakPolarHBondContact CA-OG 3.34Å; K58-S61 PolarHBondContact O-OG 2.85Å; S61-R65 WeakPolarHBondContact O-CB 3.38Å; S61-R65 VanDerWaalsContact O-CG 3.26Å; S61-R65 WeakPolarHBondContact O-CG 3.28Å; S61-R65 PolarHBondContact O-N 3.06Å
62A66.4Low61.4Low51 Ų51105 Ų10542%0.42154%0.536SS..Hα-helixtrans-66.2-42.7174.300000112.5K58 T59 L60 R65 R66K58-A62 PolarHBondContact O-N 3.36Å; K58-A62 VanDerWaalsContact O-N 3.07Å; T59-A62 PolarHBondContact O-N 2.97Å; L60-A62 VanDerWaalsContact C-N 3.34Å; L60-A62 PolarHBondContact O-N 3.24Å; A62-R65 PolarHBondContact O-N 2.94Å; A62-R66 PolarHBondContact O-N 2.9Å
63R65.6Low61.4Low189 Ų189106.6 Ų106.671%0.71354%0.54SS*.Hα-helixtrans-67.9-41177.3-169.1174.2-178.1167.9-0.5112.2T59 L60 R65 R66 L67T59-R63 PolarHBondContact O-N 3.11Å; L60-R63 PolarHBondContact O-N 3.33Å; R63-R65 VanDerWaalsContact C-N 3.31Å; R63-R65 PolarHBondContact O-N 2.77Å; R63-R66 PolarHBondContact O-N 3.48Å; R63-L67 HydrophobicContact CG-CD1 4.36Å; R63-L67 WeakPolarHBondContact O-CG 3.25Å; R63-L67 PolarHBondContact O-N 3.49Å
64M56.7Low61.2Low118 Ų118107.1 Ų107.158%0.58154%0.544SS*.Hα-helixtrans-64.7-36174.2-68.6-66.8-94.300111.7L60 L67 A68L60-M64 HydrophobicContact CD2-CG 4.04Å; L60-M64 WeakPolarHBondContact O-CB 3.36Å; L60-M64 VanDerWaalsContact O-CG 3.27Å; L60-M64 WeakPolarHBondContact O-CG 3.34Å; L60-M64 PolarHBondContact O-N 2.75Å; M64-L67 PolarHBondContact O-N 3.42Å; M64-L67 HydrophobicContact SD-CD1 4.36Å; M64-A68 WeakPolarHBondContact O-CB 3.45Å; M64-A68 PolarHBondContact O-N 2.93Å
65R63.6Low61.2Low178 Ų178103.1 Ų103.167%0.67254%0.539SS*.Hα-helixtrans-64.1-42.8172-78.5176.7-173161.61.2112.3S61 A62 R63 A68 T69S61-R65 WeakPolarHBondContact O-CB 3.38Å; S61-R65 VanDerWaalsContact O-CG 3.26Å; S61-R65 WeakPolarHBondContact O-CG 3.28Å; S61-R65 PolarHBondContact O-N 3.06Å; A62-R65 PolarHBondContact O-N 2.94Å; R63-R65 VanDerWaalsContact C-N 3.31Å; R63-R65 PolarHBondContact O-N 2.77Å; R65-A68 PolarHBondContact O-N 3.2Å; R65-T69 PolarHBondContact O-N 3.29Å; R65-T69 PolarHBondContact O-OG1 2.75Å; R65-T69 VanDerWaalsContact O-OG1 3.06Å
66R66.7Low60.3Low183 Ų183101.5 Ų101.569%0.69154%0.535SS*.Hα-helixtrans-61.2-45.7174.9-80.9-169177.9-176.4-0.9112.2A62 R63 A68 T69 E70A62-R66 PolarHBondContact O-N 2.9Å; R63-R66 PolarHBondContact O-N 3.48Å; R66-A68 VanDerWaalsContact C-N 3.33Å; R66-A68 PolarHBondContact O-N 3.23Å; R66-T69 VanDerWaalsContact CA-OG1 3.31Å; R66-T69 WeakPolarHBondContact CA-OG1 3.41Å; R66-T69 PolarHBondContact O-N 2.99Å; R66-T69 PolarHBondContact O-OG1 3.34Å; R66-E70 WeakPolarHBondContact O-CB 3.48Å; R66-E70 WeakPolarHBondContact O-CG 3.24Å; R66-E70 PolarHBondContact O-N 2.92Å
67L65.3Low59.8Low86 Ų8697.6 Ų97.645%0.4553%0.527SS..Hα-helixtrans-61.7-40.8175.9-73.1164.1000111.8R63 M64 E70 A71R63-L67 HydrophobicContact CG-CD1 4.36Å; R63-L67 WeakPolarHBondContact O-CG 3.25Å; R63-L67 PolarHBondContact O-N 3.49Å; M64-L67 PolarHBondContact O-N 3.42Å; M64-L67 HydrophobicContact SD-CD1 4.36Å; L67-E70 PolarHBondContact O-N 3.48Å; L67-A71 VanDerWaalsContact O-CB 3.32Å; L67-A71 WeakPolarHBondContact O-CB 3.41Å; L67-A71 PolarHBondContact O-N 2.87Å
68A55.9Low59.4Low50 Ų5094.8 Ų94.841%0.41352%0.52SS..Hα-helixtrans-65.5-39.4175.800000112.2M64 R65 R66 N72M64-A68 WeakPolarHBondContact O-CB 3.45Å; M64-A68 PolarHBondContact O-N 2.93Å; R65-A68 PolarHBondContact O-N 3.2Å; R66-A68 VanDerWaalsContact C-N 3.33Å; R66-A68 PolarHBondContact O-N 3.23Å; A68-N72 WeakPolarHBondContact O-CB 3.47Å; A68-N72 VanDerWaalsContact O-CG 3.25Å; A68-N72 PolarHBondContact O-N 3.44Å; A68-N72 PolarHBondContact O-ND2 2.91Å
69T62.9Low59.2Low81 Ų8191 Ų9150%0.49751%0.511SS..Hα-helixtrans-68-41.6175.245.70000112.4R65 R66 A71 N72 T73R65-T69 PolarHBondContact O-N 3.29Å; R65-T69 PolarHBondContact O-OG1 2.75Å; R65-T69 VanDerWaalsContact O-OG1 3.06Å; R66-T69 VanDerWaalsContact CA-OG1 3.31Å; R66-T69 WeakPolarHBondContact CA-OG1 3.41Å; R66-T69 PolarHBondContact O-N 2.99Å; R66-T69 PolarHBondContact O-OG1 3.34Å; T69-A71 VanDerWaalsContact C-N 3.34Å; T69-A71 PolarHBondContact O-N 3.42Å; T69-N72 PolarHBondContact O-N 3.25Å; T69-T73 WeakPolarHBondContact O-CG2 3.31Å; T69-T73 PolarHBondContact O-N 3.31Å; T69-T73 PolarHBondContact O-OG1 3.44Å
70E62.8Low58.6Low112 Ų11289.6 Ų89.652%0.52351%0.508SS..Hα-helixtrans-62.9-42.4176.7-74.4168.9-164.400111R66 L67 N72 T73 A74R66-E70 WeakPolarHBondContact O-CB 3.48Å; R66-E70 WeakPolarHBondContact O-CG 3.24Å; R66-E70 PolarHBondContact O-N 2.92Å; L67-E70 PolarHBondContact O-N 3.48Å; E70-N72 PolarHBondContact O-N 3Å; E70-T73 WeakPolarHBondContact CA-OG1 3.31Å; E70-T73 PolarHBondContact O-N 2.94Å; E70-T73 PolarHBondContact O-OG1 2.89Å; E70-A74 WeakPolarHBondContact O-CB 3.34Å; E70-A74 PolarHBondContact O-N 2.96Å
71A56.8Low58.4Low52 Ų5290.2 Ų90.243%0.4352%0.515SS..Hα-helixtrans-62.9-40.7174.400000112.4L67 T69 A74 T75L67-A71 VanDerWaalsContact O-CB 3.32Å; L67-A71 WeakPolarHBondContact O-CB 3.41Å; L67-A71 PolarHBondContact O-N 2.87Å; T69-A71 VanDerWaalsContact C-N 3.34Å; T69-A71 PolarHBondContact O-N 3.42Å; A71-A74 PolarHBondContact O-N 3.41Å; A71-T75 WeakPolarHBondContact O-CB 3.26Å; A71-T75 PolarHBondContact O-N 3.21Å; A71-T75 PolarHBondContact O-OG1 3.23Å
72N58.9Low57.9Low111 Ų11190.8 Ų90.859%0.59452%0.523SS*.Hα-helixtrans-66.7-38.5175.8-74.9-21000112A68 T69 E70 T75 A76A68-N72 WeakPolarHBondContact O-CB 3.47Å; A68-N72 VanDerWaalsContact O-CG 3.25Å; A68-N72 PolarHBondContact O-N 3.44Å; A68-N72 PolarHBondContact O-ND2 2.91Å; T69-N72 PolarHBondContact O-N 3.25Å; E70-N72 PolarHBondContact O-N 3Å; N72-T75 PolarHBondContact O-N 3.09Å; N72-A76 VanDerWaalsContact O-CB 3.24Å; N72-A76 WeakPolarHBondContact O-CB 3.48Å; N72-A76 PolarHBondContact O-N 3.07Å
73T58Low57.5Low94 Ų9492.8 Ų92.858%0.57753%0.53SS*.Hα-helixtrans-68.5-37.2175.650.60000112.6T69 E70 A76 A77T69-T73 WeakPolarHBondContact O-CG2 3.31Å; T69-T73 PolarHBondContact O-N 3.31Å; T69-T73 PolarHBondContact O-OG1 3.44Å; E70-T73 WeakPolarHBondContact CA-OG1 3.31Å; E70-T73 PolarHBondContact O-N 2.94Å; E70-T73 PolarHBondContact O-OG1 2.89Å; T73-A76 PolarHBondContact O-N 3.01Å; T73-A77 WeakPolarHBondContact O-CB 3.43Å; T73-A77 PolarHBondContact O-N 3.46Å
74A53.2Low56.9Low61 Ų6186.7 Ų86.750%0.50452%0.52SS..Hα-helixtrans-67.3-39.5174.800000111.5E70 A71 A77 A78E70-A74 WeakPolarHBondContact O-CB 3.34Å; E70-A74 PolarHBondContact O-N 2.96Å; A71-A74 PolarHBondContact O-N 3.41Å; A74-A77 PolarHBondContact O-N 3.48Å; A74-A78 WeakPolarHBondContact O-CB 3.39Å; A74-A78 PolarHBondContact O-N 2.9Å
75T58.5Low56.7Low86 Ų8683.9 Ų83.953%0.52852%0.516SS..Hα-helixtrans-67.5-42.1175.3-50.40000110.9A71 N72 A77 A78 T79A71-T75 WeakPolarHBondContact O-CB 3.26Å; A71-T75 PolarHBondContact O-N 3.21Å; A71-T75 PolarHBondContact O-OG1 3.23Å; N72-T75 PolarHBondContact O-N 3.09Å; T75-A77 PolarHBondContact O-N 2.95Å; T75-A78 PolarHBondContact O-N 2.96Å; T75-T79 PolarHBondContact O-N 2.9Å; T75-T79 PolarHBondContact O-OG1 2.89Å; T75-T79 VanDerWaalsContact O-OG1 3.11Å
76A45.5Very low56.2Low54 Ų5478.3 Ų78.345%0.44651%0.507SS..Hα-helixtrans-62.7-41.6176.100000112N72 T73 T79 A80N72-A76 VanDerWaalsContact O-CB 3.24Å; N72-A76 WeakPolarHBondContact O-CB 3.48Å; N72-A76 PolarHBondContact O-N 3.07Å; T73-A76 PolarHBondContact O-N 3.01Å; A76-T79 VanDerWaalsContact CA-OG1 3.26Å; A76-T79 WeakPolarHBondContact CA-OG1 3.34Å; A76-T79 PolarHBondContact O-N 3.33Å; A76-T79 PolarHBondContact O-OG1 3.36Å; A76-A80 WeakPolarHBondContact O-CB 3.34Å; A76-A80 PolarHBondContact O-N 3.34Å
77A47Very low55.3Low54 Ų5472.3 Ų72.345%0.44650%0.497SS..Hα-helixtrans-64.3-42.1174.300000111.7T73 A74 T75 A80 T81T73-A77 WeakPolarHBondContact O-CB 3.43Å; T73-A77 PolarHBondContact O-N 3.46Å; A74-A77 PolarHBondContact O-N 3.48Å; T75-A77 PolarHBondContact O-N 2.95Å; A77-A80 PolarHBondContact O-N 3.38Å; A77-T81 WeakPolarHBondContact O-CG2 3.32Å; A77-T81 PolarHBondContact O-N 2.91Å; A77-T81 PolarHBondContact O-OG1 2.82Å
78A53.2Low54.6Low55 Ų5570.9 Ų70.946%0.45550%0.498SS..Hα-helixtrans-64.9-38.1175.100000112.4A74 T75 T81 A82A74-A78 WeakPolarHBondContact O-CB 3.39Å; A74-A78 PolarHBondContact O-N 2.9Å; T75-A78 PolarHBondContact O-N 2.96Å; A78-T81 WeakPolarHBondContact CA-OG1 3.26Å; A78-T81 PolarHBondContact O-OG1 3.5Å; A78-A82 VanDerWaalsContact O-CB 3.31Å; A78-A82 WeakPolarHBondContact O-CB 3.44Å; A78-A82 PolarHBondContact O-N 2.93Å
79T58.1Low54.4Low78 Ų7871.4 Ų71.448%0.47950%0.502SS..Hα-helixtrans-68.7-38.7173.248.90000111.4T75 A76 A82 T83T75-T79 PolarHBondContact O-N 2.9Å; T75-T79 PolarHBondContact O-OG1 2.89Å; T75-T79 VanDerWaalsContact O-OG1 3.11Å; A76-T79 VanDerWaalsContact CA-OG1 3.26Å; A76-T79 WeakPolarHBondContact CA-OG1 3.34Å; A76-T79 PolarHBondContact O-N 3.33Å; A76-T79 PolarHBondContact O-OG1 3.36Å; T79-A82 PolarHBondContact O-N 2.97Å; T79-T83 WeakPolarHBondContact O-CB 3.41Å; T79-T83 PolarHBondContact O-N 3.32Å; T79-T83 PolarHBondContact O-OG1 3.5Å
80A49.8Very low53.9Low58 Ų5870.4 Ų70.448%0.47950%0.502SS..Hα-helixtrans-64.8-42177.300000111.6A76 A77 T83 A84A76-A80 WeakPolarHBondContact O-CB 3.34Å; A76-A80 PolarHBondContact O-N 3.34Å; A77-A80 PolarHBondContact O-N 3.38Å; A80-T83 PolarHBondContact O-N 2.92Å; A80-A84 VanDerWaalsContact O-CB 3.28Å; A80-A84 WeakPolarHBondContact O-CB 3.32Å; A80-A84 PolarHBondContact O-N 3.16Å
81T55.5Low53.5Low95 Ų9569.7 Ų69.758%0.58351%0.505SS*.Hα-helixtrans-68-38175.154.80000112.1A77 A78 A84 A85A77-T81 WeakPolarHBondContact O-CG2 3.32Å; A77-T81 PolarHBondContact O-N 2.91Å; A77-T81 PolarHBondContact O-OG1 2.82Å; A78-T81 WeakPolarHBondContact CA-OG1 3.26Å; A78-T81 PolarHBondContact O-OG1 3.5Å; T81-A84 PolarHBondContact O-N 3.09Å; T81-A85 VanDerWaalsContact O-CB 3.28Å; T81-A85 WeakPolarHBondContact O-CB 3.47Å; T81-A85 PolarHBondContact O-N 3.43Å
82A55.9Low53.1Low60 Ų6070.1 Ų70.150%0.49651%0.509SS..Hα-helixtrans-65.3-39173.400000112.4A78 T79 A85 A86A78-A82 VanDerWaalsContact O-CB 3.31Å; A78-A82 WeakPolarHBondContact O-CB 3.44Å; A78-A82 PolarHBondContact O-N 2.93Å; T79-A82 PolarHBondContact O-N 2.97Å; A82-A85 PolarHBondContact O-N 2.87Å; A82-A86 WeakPolarHBondContact O-CB 3.39Å; A82-A86 PolarHBondContact O-N 3.46Å
83T58.5Low52.5Low94 Ų9467 Ų6758%0.57750%0.498SS*.Hα-helixtrans-71.3-39.3177.9-390000111.1T79 A80 A85 A86 A87T79-T83 WeakPolarHBondContact O-CB 3.41Å; T79-T83 PolarHBondContact O-N 3.32Å; T79-T83 PolarHBondContact O-OG1 3.5Å; A80-T83 PolarHBondContact O-N 2.92Å; T83-A85 VanDerWaalsContact C-N 3.35Å; T83-A86 PolarHBondContact O-N 3.35Å; T83-A87 WeakPolarHBondContact O-CB 3.44Å; T83-A87 PolarHBondContact O-N 2.96Å
84A51.3Low52Low60 Ų6066 Ų6650%0.49650%0.499SS..Hα-helixtrans-65.1-38.4173.100000111.8A80 T81 A87 A88A80-A84 VanDerWaalsContact O-CB 3.28Å; A80-A84 WeakPolarHBondContact O-CB 3.32Å; A80-A84 PolarHBondContact O-N 3.16Å; T81-A84 PolarHBondContact O-N 3.09Å; A84-A87 PolarHBondContact O-N 3.23Å; A84-A88 WeakPolarHBondContact O-CB 3.45Å; A84-A88 PolarHBondContact O-N 2.96Å
85A53.7Low51.8Low60 Ų6066.3 Ų66.350%0.49650%0.503SS..Hα-helixtrans-66.5-38.5173.500000112T81 A82 T83 A88 A89T81-A85 VanDerWaalsContact O-CB 3.28Å; T81-A85 WeakPolarHBondContact O-CB 3.47Å; T81-A85 PolarHBondContact O-N 3.43Å; A82-A85 PolarHBondContact O-N 2.87Å; T83-A85 VanDerWaalsContact C-N 3.35Å; A85-A88 PolarHBondContact O-N 3.01Å; A85-A89 VanDerWaalsContact O-CB 3.27Å; A85-A89 WeakPolarHBondContact O-CB 3.37Å; A85-A89 PolarHBondContact O-N 3.37Å
86A53Low51.1Low60 Ų6062.8 Ų62.850%0.49648%0.483SS..Hα-helixtrans-66.7-39.117400000112.2A82 T83 A89 A90A82-A86 WeakPolarHBondContact O-CB 3.39Å; A82-A86 PolarHBondContact O-N 3.46Å; T83-A86 PolarHBondContact O-N 3.35Å; A86-A89 PolarHBondContact O-N 3.31Å; A86-A90 WeakPolarHBondContact O-CB 3.37Å; A86-A90 PolarHBondContact O-N 3.21Å
87A48.4Very low51.2Low57 Ų5764.8 Ų64.847%0.47149%0.49SS..Hα-helixtrans-67.4-4217500000111.8T83 A84 A90 T91T83-A87 WeakPolarHBondContact O-CB 3.44Å; T83-A87 PolarHBondContact O-N 2.96Å; A84-A87 PolarHBondContact O-N 3.23Å; A87-A90 PolarHBondContact O-N 3.07Å; A87-T91 PolarHBondContact O-N 3.07Å; A87-T91 PolarHBondContact O-OG1 3.42Å; A87-T91 VanDerWaalsContact O-OG1 3.08Å
88A50.5Low51.2Low57 Ų5769.2 Ų69.247%0.47151%0.506SS..Hα-helixtrans-63.3-40.9174.400000111.9A84 A85 T91 A92A84-A88 WeakPolarHBondContact O-CB 3.45Å; A84-A88 PolarHBondContact O-N 2.96Å; A85-A88 PolarHBondContact O-N 3.01Å; A88-T91 WeakPolarHBondContact CA-OG1 3.46Å; A88-T91 PolarHBondContact O-N 2.84Å; A88-T91 PolarHBondContact O-OG1 3.42Å; A88-A92 WeakPolarHBondContact O-CB 3.5Å; A88-A92 PolarHBondContact O-N 3.01Å
89A51.5Low50.9Low60 Ų6072.7 Ų72.750%0.49652%0.516SS..Hα-helixtrans-66.4-36173.800000112.4A85 A86 A92 A93A85-A89 VanDerWaalsContact O-CB 3.27Å; A85-A89 WeakPolarHBondContact O-CB 3.37Å; A85-A89 PolarHBondContact O-N 3.37Å; A86-A89 PolarHBondContact O-N 3.31Å; A89-A92 PolarHBondContact O-N 3.01Å; A89-A93 VanDerWaalsContact O-CB 3.25Å; A89-A93 WeakPolarHBondContact O-CB 3.2Å; A89-A93 PolarHBondContact O-N 3.42Å
90A52.7Low50.4Low60 Ų6072.9 Ų72.950%0.49651%0.513SS..Hα-helixtrans-68.2-38.9174.600000112A86 A87 A93 A94A86-A90 WeakPolarHBondContact O-CB 3.37Å; A86-A90 PolarHBondContact O-N 3.21Å; A87-A90 PolarHBondContact O-N 3.07Å; A90-A93 PolarHBondContact O-N 3.01Å; A90-A94 WeakPolarHBondContact O-CB 3.33Å; A90-A94 PolarHBondContact O-N 2.92Å
91T52.7Low50.2Low97 Ų9777.4 Ų77.460%0.59553%0.529SS*.Hα-helixtrans-70.5-35.2173.747.50000112.7A87 A88 A94 A95A87-T91 PolarHBondContact O-N 3.07Å; A87-T91 PolarHBondContact O-OG1 3.42Å; A87-T91 VanDerWaalsContact O-OG1 3.08Å; A88-T91 WeakPolarHBondContact CA-OG1 3.46Å; A88-T91 PolarHBondContact O-N 2.84Å; A88-T91 PolarHBondContact O-OG1 3.42Å; T91-A94 PolarHBondContact O-N 3.07Å; T91-A95 PolarHBondContact O-N 2.98Å; T91-A95 VanDerWaalsContact O-N 3.11Å
92A49.1Very low49.6Very low62 Ų6277.6 Ų77.651%0.51253%0.532SS..Hα-helixtrans-70.2-31.8172.400000112A88 A89 G96A88-A92 WeakPolarHBondContact O-CB 3.5Å; A88-A92 PolarHBondContact O-N 3.01Å; A89-A92 PolarHBondContact O-N 3.01Å; A92-G96 VanDerWaalsContact O-CA 3.26Å; A92-G96 WeakPolarHBondContact O-CA 3.27Å; A92-G96 PolarHBondContact O-N 2.71Å
93A46.2Very low49.1Very low44 Ų4479.7 Ų79.736%0.36453%0.534SS..Hα-helixtrans-72.3-36.3171.700000111.7A89 A90 G96 V97A89-A93 VanDerWaalsContact O-CB 3.25Å; A89-A93 WeakPolarHBondContact O-CB 3.2Å; A89-A93 PolarHBondContact O-N 3.42Å; A90-A93 PolarHBondContact O-N 3.01Å; A93-G96 CarbonylContact O-C 3.4Å; A93-G96 PolarHBondContact O-N 2.03Å; A93-V97 WeakPolarHBondContact O-CB 3.39Å; A93-V97 WeakPolarHBondContact O-CG2 3.38Å; A93-V97 PolarHBondContact O-N 2.88Å
94A47.7Very low48.5Very low73 Ų7377.1 Ų77.160%0.60352%0.522SS*.Hα-helixtrans-66.1-37.8175.100000112.6A90 T91A90-A94 WeakPolarHBondContact O-CB 3.33Å; A90-A94 PolarHBondContact O-N 2.92Å; T91-A94 PolarHBondContact O-N 3.07Å
95A49.5Very low48.2Very low69 Ų6978.6 Ų78.657%0.5753%0.534SS*.Hα-helixtrans-76.1-3417100000112.4T91T91-A95 PolarHBondContact O-N 2.98Å; T91-A95 VanDerWaalsContact O-N 3.11Å
96G43.3Very low47.7Very low12 Ų1277.9 Ų77.912%0.12453%0.533CS..Hα-helixtrans-78.1-24.1-178.200000114.2A92 A93 N98 L99 I100A92-G96 VanDerWaalsContact O-CA 3.26Å; A92-G96 WeakPolarHBondContact O-CA 3.27Å; A92-G96 PolarHBondContact O-N 2.71Å; A93-G96 CarbonylContact O-C 3.4Å; A93-G96 PolarHBondContact O-N 2.03Å; G96-N98 PolarHBondContact O-N 3.48Å; G96-N98 VanDerWaalsContact O-N 3.15Å; G96-L99 CarbonylContact O-C 3.54Å; G96-L99 WeakPolarHBondContact O-CA 3.4Å; G96-L99 PolarHBondContact O-N 3.22Å; G96-I100 VanDerWaalsContact O-CB 3.23Å; G96-I100 WeakPolarHBondContact O-CB 3.44Å; G96-I100 WeakPolarHBondContact O-CD1 3.36Å; G96-I100 WeakPolarHBondContact O-CG1 3.25Å; G96-I100 PolarHBondContact O-N 3.43Å
97V47.8Very low47.5Very low95 Ų9580.5 Ų80.558%0.57653%0.533SS*.Hα-helixtrans-62.9-23.5176.3165.70000111.3A93 L99A93-V97 WeakPolarHBondContact O-CB 3.39Å; A93-V97 WeakPolarHBondContact O-CG2 3.38Å; A93-V97 PolarHBondContact O-N 2.88Å; V97-L99 VanDerWaalsContact C-N 3.33Å
98N47.2Very low47.3Very low147 Ų14786.8 Ų86.879%0.78655%0.55SS**Hα-helixtrans-75-15.5168.8-102.5-38.2000114.4G96G96-N98 PolarHBondContact O-N 3.48Å; G96-N98 VanDerWaalsContact O-N 3.15Å
99L47.4Very low47Very low129 Ų12992.3 Ų92.368%0.67557%0.566SS**Hα-helixtrans-119.2-14.2-178.6-73.4166.2000114.3G96 V97 P102G96-L99 CarbonylContact O-C 3.54Å; G96-L99 WeakPolarHBondContact O-CA 3.4Å; G96-L99 PolarHBondContact O-N 3.22Å; V97-L99 VanDerWaalsContact C-N 3.33Å; L99-P102 WeakPolarHBondContact O-CD 3.49Å; L99-P102 WeakPolarHBondContact O-CG 3.21Å
100I47.7Very low46.5Very low81 Ų8197.2 Ų97.242%0.41558%0.579SS.*Hα-helixtrans-88.8-22.9-174.7-70163.5000111.7G96 P102 L103 A104G96-I100 VanDerWaalsContact O-CB 3.23Å; G96-I100 WeakPolarHBondContact O-CB 3.44Å; G96-I100 WeakPolarHBondContact O-CD1 3.36Å; G96-I100 WeakPolarHBondContact O-CG1 3.25Å; G96-I100 PolarHBondContact O-N 3.43Å; I100-P102 VanDerWaalsContact C-N 3.28Å; I100-L103 PolarHBondContact O-N 2.7Å; I100-A104 HydrophobicContact CG2-CB 4.09Å; I100-A104 WeakPolarHBondContact O-CB 3.08Å; I100-A104 PolarHBondContact O-N 2.99Å
101L44.4Very low46Very low154 Ų15499.3 Ų99.381%0.80659%0.586SS**Hα-helixtrans-54.6-38175.3-128.381.2000113.2
102P43.6Very low45.2Very low99 Ų99106.4 Ų106.464%0.64360%0.602SS**Hα-helixtrans-86.9-21.6171.328.9-32.6000115.1L99 I100L99-P102 WeakPolarHBondContact O-CD 3.49Å; L99-P102 WeakPolarHBondContact O-CG 3.21Å; I100-P102 VanDerWaalsContact C-N 3.28Å
103L46Very low44.7Very low103 Ų103109.1 Ų109.154%0.53961%0.614SS.*Hα-helixtrans-89-24.6-174.7-14676.5000113.8I100 A105 G106 F107I100-L103 PolarHBondContact O-N 2.7Å; L103-A105 PolarHBondContact O-N 3.05Å; L103-G106 PolarHBondContact O-N 2.84Å; L103-G106 VanDerWaalsContact O-N 3.1Å; L103-F107 HydrophobicContact CD2-CD2 4.23Å; L103-F107 HydrophobicContact CD2-CE2 4Å; L103-F107 HydrophobicContact CG-CD2 4.16Å; L103-F107 HydrophobicContact CG-CE2 4.27Å; L103-F107 PolarHBondContact O-N 2.92Å
104A44.9Very low44.5Very low41 Ų41111.9 Ų111.934%0.33964%0.637SS.*Hα-helixtrans-65.5-24.4176.800000112.7I100 G106 F108I100-A104 HydrophobicContact CG2-CB 4.09Å; I100-A104 WeakPolarHBondContact O-CB 3.08Å; I100-A104 PolarHBondContact O-N 2.99Å; A104-G106 VanDerWaalsContact C-N 3.27Å; A104-G106 PolarHBondContact O-N 3.23Å; A104-F108 WeakPolarHBondContact O-CD2 3.08Å
105A45.3Very low44.1Very low90 Ų90113.8 Ų113.874%0.74465%0.645SS**Hα-helixtrans-70.1-22.4173.700000113.1L103L103-A105 PolarHBondContact O-N 3.05Å
106G43Very low43.8Very low45 Ų45117.9 Ų117.946%0.46466%0.657SS.*Hα-helixtrans-95.8-31.5-177.500000115.2L103 A104L103-G106 PolarHBondContact O-N 2.84Å; L103-G106 VanDerWaalsContact O-N 3.1Å; A104-G106 VanDerWaalsContact C-N 3.27Å; A104-G106 PolarHBondContact O-N 3.23Å
107F48Very low43.9Very low116 Ų116122.3 Ų122.351%0.50969%0.692SS.*Hα-helixtrans-81.3-22.5-172.5-99.8-90.2000115.1L103 Q109 Q110 T111L103-F107 HydrophobicContact CD2-CD2 4.23Å; L103-F107 HydrophobicContact CD2-CE2 4Å; L103-F107 HydrophobicContact CG-CD2 4.16Å; L103-F107 HydrophobicContact CG-CE2 4.27Å; L103-F107 PolarHBondContact O-N 2.92Å; F107-Q109 PolarHBondContact O-N 3.3Å; F107-Q109 VanDerWaalsContact O-N 3.12Å; F107-Q110 PolarHBondContact O-N 3.21Å; F107-T111 HydrophobicContact CD1-CG2 4.46Å
108F45.4Very low43.6Very low188 Ų188124.4 Ų124.483%0.82570%0.7SS**THydrogen-bonded Turntrans-69-6.8178-85.8-76.8000114.2A104A104-F108 WeakPolarHBondContact O-CD2 3.08Å
109Q43.1Very low43.2Very low174 Ų174125.8 Ų125.881%0.81370%0.702SS**THydrogen-bonded Turntrans-95.1-10.5174-80.3-75.4-5.400114.2F107F107-Q109 PolarHBondContact O-N 3.3Å; F107-Q109 VanDerWaalsContact O-N 3.12Å
110Q42.1Very low42.7Very low162 Ų162128.8 Ų128.876%0.75771%0.71SS**THydrogen-bonded Turntrans-123.8-9.8-167-108.3176.1-5.800117.3F107F107-Q110 PolarHBondContact O-N 3.21Å
111T42.2Very low42.5Very low105 Ų105130.3 Ų130.364%0.64473%0.725SS**  trans-107.264.9175.755.80000112.7F107F107-T111 HydrophobicContact CD1-CG2 4.46Å
112R34.6Very low42.3Very low246 Ų246128.7 Ų128.793%0.92872%0.722SS**  trans-112.1109.7140.2-85.5-174.8175.6173.80.2107.4
113P39.6Very low42.3Very low119 Ų119130.2 Ų130.277%0.77373%0.73SS**  trans-128.5136.5134.220.3-2.3000112.7S115P113-S115 PolarHBondContact O-N 3.33Å
114A42.2Very low42.2Very low101 Ų101132.2 Ų132.284%0.83575%0.746SS**  trans-54.3116.2177.400000113.2
115S39.1Very low41.9Very low113 Ų113133.9 Ų133.979%0.7976%0.76SS**  trans-175.4129.3148.2-78.50000107.6P113P113-S115 PolarHBondContact O-N 3.33Å
116L44Very low42Very low156 Ų156135.4 Ų135.482%0.81776%0.762SS**  trans89.346.5-176-57.3141.1000116N118L116-N118 PolarHBondContact O-N 3.24Å
117A43.6Very low41.8Very low104 Ų104142 Ų14286%0.8678%0.779SS**  trans-70.115.9155.400000114
118N42.4Very low41.9Very low139 Ų139141.5 Ų141.574%0.74379%0.785SS**  trans-142.374.3-173.3-82.5-16.4000111.8L116L116-N118 PolarHBondContact O-N 3.24Å
119Q39.3Very low41.7Very low177 Ų177138.8 Ų138.883%0.82778%0.783SS**  trans-171.521.4150-110.9164.216.200116.3P121Q119-P121 WeakPolarHBondContact O-CD 3.21Å
120F37.2Very low41.8Very low192 Ų192142.8 Ų142.884%0.84280%0.798SS**  trans-81.1117.2155.2-68.8-76.3000108.1
121P42.7Very low41.8Very low112 Ų112141.8 Ų141.873%0.72780%0.8SS**  -104104.7119.728.1-30.3000108Q119 T123Q119-P121 WeakPolarHBondContact O-CD 3.21Å; P121-T123 PolarHBondContact O-N 3.42Å; P121-T123 VanDerWaalsContact O-N 3.09Å
122T39.6Very low41.8Very low121 Ų121143.7 Ų143.774%0.74281%0.808SS**  trans-34.4107.8152.3380000111.7
123T44.7Very low42.2Very low131 Ų131138.1 Ų138.180%0.80480%0.802SS**  trans-139.6111.3145.138.70000109.2P121P121-T123 PolarHBondContact O-N 3.42Å; P121-T123 VanDerWaalsContact O-N 3.09Å
124T44.1Very low42.4Very low144 Ų144139.2 Ų139.288%0.88380%0.804SS**  trans-36.9124.7163.9360000114.8
125A38.6Very low42.4Very low77 Ų77141.6 Ų141.664%0.63680%0.802SS**  161.9125.1111.100000111.2
126P46.3Very low42.6Very low121 Ų121143.5 Ų143.579%0.78680%0.802SS**  trans-79114.2154.831-26.7000108.3V128P126-V128 PolarHBondContact O-N 3.46Å
127F39.1Very low42.5Very low185 Ų185142.6 Ų142.681%0.81180%0.801SS**  trans-73.1105.1161.736.1-90.3000107.8
128V49Very low42.4Very low105 Ų105145.5 Ų145.564%0.63680%0.797SS**  trans-73.9118.6160.5178.60000106.5P126 F130P126-V128 PolarHBondContact O-N 3.46Å; V128-F130 HydrophobicContact CG1-CD2 3.68Å; V128-F130 HydrophobicContact CG1-CE2 3.55Å; V128-F130 HydrophobicContact CG1-CZ 4.33Å
129V42.6Very low42.4Very low130 Ų130146.1 Ų146.179%0.78880%0.801SS**  trans-84.1114167.9178.60000106.6
130F45.7Very low42.7Very low258 Ų258143.3 Ų143.3100%1.13280%0.799SS**  trans-100.20161.1-84.5-78.6000108.8V128V128-F130 HydrophobicContact CG1-CD2 3.68Å; V128-F130 HydrophobicContact CG1-CE2 3.55Å; V128-F130 HydrophobicContact CG1-CZ 4.33Å

Retrieved 130 of 130 residues in 223.1 ms (Link to these results)