A0A096LTX2_POEFO Loading...

Tantalus-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A096LTX2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 175 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
1M42.6Very low52.2Low231 Ų231178 Ų178100%1.13886%0.862SS**  0108.20-81.6-177.2172.700108.4
2F42.7Very low53Low210 Ų210177.6 Ų177.692%0.92186%0.858SS**  trans-127.4112.6166.6-67.5-74.5000107.2L4F2-L4 PolarHBondContact O-N 3.45Å
3L48.9Very low53.6Low178 Ų178178.5 Ų178.593%0.93286%0.86SS**  trans-71.7115.2-177.2-76.3160.4000109.3K5L3-K5 PolarHBondContact O-N 3.33Å
4L56.8Low54.3Low166 Ų166179.4 Ų179.487%0.86986%0.858SS**  trans-67.6102.3168.2-71.2169.2000108.6F2 V6F2-L4 PolarHBondContact O-N 3.45Å; L4-V6 PolarHBondContact O-N 2.8Å; L4-V6 VanDerWaalsContact O-N 3.11Å
5K60Low54.8Low193 Ų193180.5 Ų180.584%0.83986%0.858SS**  trans-74.998.6170.6-163.7173.9178.997.70107.8L3 V7L3-K5 PolarHBondContact O-N 3.33Å; K5-V7 PolarHBondContact O-N 3.49Å
6V58.4Low55.3Low123 Ų123178.8 Ų178.875%0.74586%0.862SS**  trans-62.1104.3170.1170.50000108.1L4 K8L4-V6 PolarHBondContact O-N 2.8Å; L4-V6 VanDerWaalsContact O-N 3.11Å; V6-K8 PolarHBondContact O-N 2.95Å
7V49.8Very low55.8Low120 Ų120172.9 Ų172.973%0.72784%0.843SS**  trans-73.8107.9168.9172.70000107K5 K9K5-V7 PolarHBondContact O-N 3.49Å; V7-K9 PolarHBondContact O-N 2.58Å; V7-K9 VanDerWaalsContact O-N 3.13Å
8K53.2Low56.4Low179 Ų179170 Ų17078%0.77884%0.844SS**  trans-67106.8168-73.2-177.2176.4178.50108.1V6 H10V6-K8 PolarHBondContact O-N 2.95Å; K8-H10 PolarHBondContact O-N 3.33Å
9K53.6Low57.3Low200 Ų200168.1 Ų168.187%0.8784%0.835SS**  trans-67.4111.2162.9-93.4-175173.9176.30107.4V7 E11V7-K9 PolarHBondContact O-N 2.58Å; V7-K9 VanDerWaalsContact O-N 3.13Å; K9-E11 PolarHBondContact O-N 3.27Å
10H49.4Very low58.2Low171 Ų171171.3 Ų171.379%0.79284%0.837SS**  trans-68.9108.6161.1-91.1-95.3000107.4K8 E12K8-H10 PolarHBondContact O-N 3.33Å; H10-E12 PolarHBondContact O-N 3.44Å
11E59.1Low59.2Low187 Ų187170.7 Ų170.787%0.87484%0.836SS**  trans-67.689.9159.2-100.8-176.716100107.3K9 Q13K9-E11 PolarHBondContact O-N 3.27Å; E11-Q13 PolarHBondContact O-N 3.39Å; E11-Q13 VanDerWaalsContact O-N 3.12Å
12E61.3Low60.8Low173 Ų173169.4 Ų169.481%0.80882%0.819SS**  trans-64.2112.3159.2-71.3-173.5169.400106.6H10 K14H10-E12 PolarHBondContact O-N 3.44Å; E12-K14 VanDerWaalsContact C-N 3.29Å; E12-K14 PolarHBondContact O-N 3.26Å
13Q60.9Low62.5Low190 Ų190169.7 Ų169.789%0.88882%0.819SS**  trans-57.698.4170.3-69.6-160.9-15.900107.9E11 K15E11-Q13 PolarHBondContact O-N 3.39Å; E11-Q13 VanDerWaalsContact O-N 3.12Å; Q13-K15 PolarHBondContact O-N 3.16Å
14K63Low63.9Low191 Ų191166.3 Ų166.383%0.8381%0.806SS**  trans-55.8114172.9-89.4179.4176.1174.60107.1E12 V16E12-K14 VanDerWaalsContact C-N 3.29Å; E12-K14 PolarHBondContact O-N 3.26Å; K14-V16 PolarHBondContact O-N 3.39Å
15K63Low64.9Low196 Ų196166.2 Ų166.285%0.85281%0.806SS**  trans-52.4110.9172.3-142.5167.5-173.6174.90107.3Q13 S17Q13-K15 PolarHBondContact O-N 3.16Å; K15-S17 PolarHBondContact O-N 3.09Å
16V62.2Low65.7Low152 Ų152162.4 Ų162.492%0.92180%0.801SS**SBendtrans-70.93-164.4-142.20000113.7K14K14-V16 PolarHBondContact O-N 3.39Å
17S63.7Low66.5Low79 Ų79166.3 Ų166.355%0.55281%0.808SS**  trans-136.399.4172.355.40000110.6K15 I19K15-S17 PolarHBondContact O-N 3.09Å; S17-I19 PolarHBondContact O-N 3.08Å
18S66.6Low67.4Low121 Ų121165.9 Ų165.985%0.84681%0.808SS**  trans-70.54.2162.457.80000112.3R20S18-R20 PolarHBondContact O-N 2.64Å
19I72.9Confident68.2Low134 Ų134164.5 Ų164.569%0.68780%0.804SS**  trans-70.7100.4179.8-57174.2000108.9S17 I21S17-I19 PolarHBondContact O-N 3.08Å; I19-I21 PolarHBondContact O-N 3.39Å; I19-I21 VanDerWaalsContact O-N 3.16Å
20R75.7Confident69.1Low231 Ų231160.2 Ų160.287%0.87280%0.795SS**  trans-70.9103.7165.9-88.4176.5171.8156.2-2.7109.2S18 R22S18-R20 PolarHBondContact O-N 2.64Å; R20-R22 PolarHBondContact O-N 3.43Å; R20-R22 VanDerWaalsContact O-N 3.1Å
21I79.3Confident70.4Confident159 Ų159157.7 Ų157.782%0.81579%0.787SS**  trans-66.1108.1168-56.9175.6000107.5I19I19-I21 PolarHBondContact O-N 3.39Å; I19-I21 VanDerWaalsContact O-N 3.16Å
22R76.1Confident71.6Confident205 Ų205151.6 Ų151.677%0.77476%0.76SS**  trans-76.9137.7172.3-61.3-176.2-176.9-168.40.7108R20 T24R20-R22 PolarHBondContact O-N 3.43Å; R20-R22 VanDerWaalsContact O-N 3.1Å; R22-T24 PolarHBondContact O-N 2.91Å
23K78.8Confident72.8Confident215 Ų215145.2 Ų145.294%0.93573%0.733SS**SBendtrans-68-14.1173.7-57.6-175.681.1176.50112.4
24T78.8Confident74.1Confident107 Ų107142.2 Ų142.266%0.65673%0.73SS**SBendtrans-106.4133.3-178.450.80000111R22R22-T24 PolarHBondContact O-N 2.91Å
25L76.2Confident75.3Confident164 Ų164140.2 Ų140.286%0.85973%0.726SS**PPolyproline II helixtrans-62.2140.8177.3-62.4175.5000110.3
26P78.8Confident76.4Confident114 Ų114133 Ų13374%0.7471%0.707SS**PPolyproline II helixtrans-58.6142.5172.124.7-31.8000109.8
27K74.3Confident77.5Confident204 Ų204131.1 Ų131.189%0.88769%0.691SS**PPolyproline II helixtrans-58.4124.3179.3-71.2179.3-179.8177.50108.7
28P69.8Low78.8Confident112 Ų112132.2 Ų132.273%0.72770%0.697SS**PPolyproline II helixtrans-61.5143.6178.424.4-32.2000109.7T30P28-T30 PolarHBondContact O-N 3.48Å; P28-T30 VanDerWaalsContact O-N 3.13Å
29Q69.1Low79.6Confident149 Ų149131.4 Ų131.470%0.69668%0.678SS**PPolyproline II helixtrans-59.5120.1175.9-67.4-171.4-400109N31 L32Q29-N31 PolarHBondContact O-N 3.39Å; Q29-L32 HydrophobicContact CB-CD1 4.13Å; Q29-L32 HydrophobicContact CB-CG 4.17Å; Q29-L32 PolarHBondContact O-N 3.36Å
30T73.3Confident80.2Confident111 Ų111130.8 Ų130.868%0.68168%0.682SS**THydrogen-bonded Turntrans-64-18.1-163.360.70000113.5P28 K39P28-T30 PolarHBondContact O-N 3.48Å; P28-T30 VanDerWaalsContact O-N 3.13Å; T30-K39 PolarHBondContact O-NZ 2.97Å; T30-K39 VanDerWaalsContact O-NZ 3.1Å
31N75.3Confident80.5Confident118 Ų118126.3 Ų126.363%0.63168%0.681SS**THydrogen-bonded Turntrans-104.77.2-174.4-58.1-37000114.3Q29 K39Q29-N31 PolarHBondContact O-N 3.39Å; N31-K39 WeakPolarHBondContact O-CB 3.5Å; N31-K39 PolarHBondContact O-N 3.38Å
32L85Confident80.6Confident58 Ų58129.4 Ų129.430%0.30468%0.682SS.*BIsolated β-bridgetrans-101.6141175.7-57.9-176.6000111.5Q29 L37 K39Q29-L32 HydrophobicContact CB-CD1 4.13Å; Q29-L32 HydrophobicContact CB-CG 4.17Å; Q29-L32 PolarHBondContact O-N 3.36Å; L32-L37 CarbonylContact C-O 3.51Å; L32-L37 VanDerWaalsContact CA-O 3.31Å; L32-L37 WeakPolarHBondContact CA-O 3.19Å; L32-K39 WeakPolarHBondContact O-CE 3.34Å; L32-K39 PolarHBondContact O-NZ 3.21Å
33T85.8Confident80.8Confident39 Ų39124.5 Ų124.524%0.23967%0.674CS.*  trans-62.1161.8164.1630000108.8M35 G36 L37 K39T33-M35 PolarHBondContact O-N 3.07Å; T33-M35 PolarHBondContact OG1-N 2.97Å; T33-G36 PolarHBondContact O-N 3.09Å; T33-L37 PolarHBondContact N-O 2.99Å; T33-L37 WeakPolarHBondContact OG1-CB 3.33Å; T33-L37 PolarHBondContact OG1-N 3.15Å; T33-L37 VanDerWaalsContact OG1-N 3.13Å; T33-L37 PolarHBondContact OG1-O 3.28Å; T33-K39 HydrophobicContact CG2-CG 3.85Å
34P87.9Confident81Confident128 Ų128123.5 Ų123.583%0.83167%0.67SS**THydrogen-bonded Turntrans-55.6-19.4171.822.3-34.4000113.4G36P34-G36 VanDerWaalsContact C-N 3.3Å
35M89.4Confident81.2Confident149 Ų149124 Ų12473%0.73466%0.663SS**THydrogen-bonded Turntrans-86.17.8174.2-59.1-65.686.500113.9T33 L37T33-M35 PolarHBondContact O-N 3.07Å; T33-M35 PolarHBondContact OG1-N 2.97Å; M35-L37 HydrophobicContact CB-CG 4.5Å; M35-L37 PolarHBondContact O-N 3.24Å
36G86.3Confident81.5Confident45 Ų45124.9 Ų124.946%0.46466%0.66SS.*SBendtrans75.24.7179.800000114.9T33 P34T33-G36 PolarHBondContact O-N 3.09Å; P34-G36 VanDerWaalsContact C-N 3.3Å
37L85.4Confident81.8Confident111 Ų111126.6 Ų126.658%0.58166%0.663SS**PPolyproline II helixtrans-84.3147.1178.7-59.5174.7000111.1L32 T33 M35 K39L32-L37 CarbonylContact C-O 3.51Å; L32-L37 VanDerWaalsContact CA-O 3.31Å; L32-L37 WeakPolarHBondContact CA-O 3.19Å; T33-L37 PolarHBondContact N-O 2.99Å; T33-L37 WeakPolarHBondContact OG1-CB 3.33Å; T33-L37 PolarHBondContact OG1-N 3.15Å; T33-L37 VanDerWaalsContact OG1-N 3.13Å; T33-L37 PolarHBondContact OG1-O 3.28Å; M35-L37 HydrophobicContact CB-CG 4.5Å; M35-L37 PolarHBondContact O-N 3.24Å; L37-K39 PolarHBondContact O-N 3.25Å
38P89.5Confident82.1Confident103 Ų103123 Ų12367%0.66965%0.648SS**BIsolated β-bridgetrans-56.1125172-22.632.9000111
39K84.9Confident82.9Confident103 Ų103120.3 Ų120.345%0.44863%0.632SS.*PPolyproline II helixtrans-63.7135.7173.2-73.6177.7179.6150.10108.9T30 N31 L32 T33 L37 V41T30-K39 PolarHBondContact O-NZ 2.97Å; T30-K39 VanDerWaalsContact O-NZ 3.1Å; N31-K39 WeakPolarHBondContact O-CB 3.5Å; N31-K39 PolarHBondContact O-N 3.38Å; L32-K39 WeakPolarHBondContact O-CE 3.34Å; L32-K39 PolarHBondContact O-NZ 3.21Å; T33-K39 HydrophobicContact CG2-CG 3.85Å; L37-K39 PolarHBondContact O-N 3.25Å; K39-V41 PolarHBondContact O-N 2.96Å
40P84.1Confident83.7Confident121 Ų121119.4 Ų119.479%0.78663%0.631SS**PPolyproline II helixtrans-61134.5174.525.1-32.7000110.1R42P40-R42 PolarHBondContact O-N 2.89Å
41V82Confident84.1Confident138 Ų138119.9 Ų119.984%0.83663%0.625SS**  trans-73.4114.6-178.7179.90000109.1K39 V43K39-V41 PolarHBondContact O-N 2.96Å; V41-V43 PolarHBondContact O-N 3.01Å
42R81.6Confident84.5Confident224 Ų224118 Ų11885%0.84561%0.612SS**  trans-76.2116.5175-169.4176.1-178.6108.7-0.9109.5P40 K44P40-R42 PolarHBondContact O-N 2.89Å; R42-K44 PolarHBondContact O-N 3.06Å
43V80.6Confident84.2Confident101 Ų101119.6 Ų119.661%0.61262%0.621SS**  trans-64.5116.1174.7-176.50000109.1V41 K45V41-V43 PolarHBondContact O-N 3.01Å; V43-K45 VanDerWaalsContact C-N 3.29Å; V43-K45 HydrophobicContact CG1-CB 4Å; V43-K45 HydrophobicContact CG1-CD 3.65Å; V43-K45 HydrophobicContact CG1-CG 3.51Å; V43-K45 PolarHBondContact O-N 3.44Å
44K81.9Confident83.9Confident194 Ų194126.6 Ų126.684%0.84364%0.644SS**  trans-93.241.1177.9-64.3-174.2-178.2177.90112.1R42R42-K44 PolarHBondContact O-N 3.06Å
45K83.4Confident83.7Confident117 Ų117123.7 Ų123.751%0.50962%0.624SS.*  trans-74.7139.4173.1-72177.3179.4-1690109.1V43 F48 E52V43-K45 VanDerWaalsContact C-N 3.29Å; V43-K45 HydrophobicContact CG1-CB 4Å; V43-K45 HydrophobicContact CG1-CD 3.65Å; V43-K45 HydrophobicContact CG1-CG 3.51Å; V43-K45 PolarHBondContact O-N 3.44Å; K45-F48 HydrophobicContact CB-CE1 4.4Å; K45-F48 HydrophobicContact CB-CZ 4.41Å; K45-E52 IonicContact NZ-OE1 2.97Å
46K82.3Confident83.1Confident183 Ų183120.6 Ų120.680%0.79661%0.61SS**  trans-106.7-34.6-179.8-71.2-65.1-174.4174.50112.1
47D86.5Confident82.9Confident151 Ų151125.5 Ų125.581%0.80762%0.619SS**  trans-103.1123.7175.2-50.5-41.7000108.4
48F79.4Confident82.5Confident129 Ų129127.6 Ų127.657%0.56663%0.631SS**  trans-110.4136.1176.5-67-86.7000108.3K45 I53K45-F48 HydrophobicContact CB-CE1 4.4Å; K45-F48 HydrophobicContact CB-CZ 4.41Å; F48-I53 HydrophobicContact CB-CG2 3.83Å; F48-I53 HydrophobicContact CG-CG2 4.46Å
49S87.4Confident82.2Confident55 Ų55129.2 Ų129.239%0.38563%0.627SS.*  trans-74.7153.917379.60000110.6E51 E52 I53S49-E51 PolarHBondContact O-N 3.34Å; S49-E52 PolarHBondContact N-OE2 3.19Å; S49-E52 VanDerWaalsContact N-OE2 3.08Å; S49-E52 WeakPolarHBondContact O-CB 3.13Å; S49-E52 PolarHBondContact O-N 3.23Å; S49-E52 VanDerWaalsContact O-N 3.09Å; S49-E52 WeakPolarHBondContact OG-CB 3.26Å; S49-E52 WeakPolarHBondContact OG-CG 3.11Å; S49-E52 PolarHBondContact OG-N 2.79Å; S49-E52 VanDerWaalsContact OG-N 3.16Å; S49-I53 PolarHBondContact O-N 3.1Å
50L84.8Confident82.2Confident130 Ų130129.2 Ų129.268%0.68164%0.64SS**Hα-helixtrans-56.3-41.6175.1-76.1171.9000111.2E52 I53 Y54L50-E52 VanDerWaalsContact C-N 3.32Å; L50-E52 PolarHBondContact O-N 2.79Å; L50-I53 HydrophobicContact CD2-CD1 4.05Å; L50-I53 WeakPolarHBondContact O-CG1 3.48Å; L50-I53 PolarHBondContact O-N 3Å; L50-Y54 HydrophobicContact CD2-CE2 4.11Å; L50-Y54 WeakPolarHBondContact O-CD2 3.45Å; L50-Y54 PolarHBondContact O-N 3.21Å
51E82.6Confident82.3Confident120 Ų120129.4 Ų129.456%0.56163%0.629SS**Hα-helixtrans-61.5-39.9176.9-167-171.5138.600111.7S49 I53 Y54 T55 K57S49-E51 PolarHBondContact O-N 3.34Å; E51-I53 PolarHBondContact O-N 3.13Å; E51-Y54 PolarHBondContact O-N 3.1Å; E51-T55 HydrophobicContact CG-CG2 3.58Å; E51-T55 VanDerWaalsContact O-CB 3.26Å; E51-T55 WeakPolarHBondContact O-CB 2.88Å; E51-T55 WeakPolarHBondContact O-CG2 3.5Å; E51-T55 PolarHBondContact O-N 2.95Å; E51-T55 PolarHBondContact O-OG1 3.06Å; E51-K57 IonicContact OE1-NZ 3.45Å; E51-K57 PolarHBondContact OE1-NZ 3.31Å
52E82.8Confident82.5Confident78 Ų78126.9 Ų126.936%0.36462%0.615SS.*Hα-helixtrans-65.2-36.4-179.6-76.4171.9165.300113.6K45 S49 L50K45-E52 IonicContact NZ-OE1 2.97Å; S49-E52 PolarHBondContact N-OE2 3.19Å; S49-E52 VanDerWaalsContact N-OE2 3.08Å; S49-E52 WeakPolarHBondContact O-CB 3.13Å; S49-E52 PolarHBondContact O-N 3.23Å; S49-E52 VanDerWaalsContact O-N 3.09Å; S49-E52 WeakPolarHBondContact OG-CB 3.26Å; S49-E52 WeakPolarHBondContact OG-CG 3.11Å; S49-E52 PolarHBondContact OG-N 2.79Å; S49-E52 VanDerWaalsContact OG-N 3.16Å; L50-E52 VanDerWaalsContact C-N 3.32Å; L50-E52 PolarHBondContact O-N 2.79Å
53I79.4Confident82.6Confident93 Ų93120.2 Ų120.248%0.47760%0.601SS.*Hα-helixtrans-78.1-22.6179.561169.5000112.7F48 S49 L50 E51F48-I53 HydrophobicContact CB-CG2 3.83Å; F48-I53 HydrophobicContact CG-CG2 4.46Å; S49-I53 PolarHBondContact O-N 3.1Å; L50-I53 HydrophobicContact CD2-CD1 4.05Å; L50-I53 WeakPolarHBondContact O-CG1 3.48Å; L50-I53 PolarHBondContact O-N 3Å; E51-I53 PolarHBondContact O-N 3.13Å
54Y80.3Confident82.7Confident186 Ų186123.4 Ų123.473%0.72961%0.609SS**Hα-helixtrans-103.2-26.3-177.8-72.1-64000114.1L50 E51 N56L50-Y54 HydrophobicContact CD2-CE2 4.11Å; L50-Y54 WeakPolarHBondContact O-CD2 3.45Å; L50-Y54 PolarHBondContact O-N 3.21Å; E51-Y54 PolarHBondContact O-N 3.1Å; Y54-N56 VanDerWaalsContact C-N 3.33Å; Y54-N56 PolarHBondContact O-N 2.69Å
55T82.4Confident82.5Confident66 Ų66117.8 Ų117.841%0.40559%0.594SS.*SBendtrans-86.60.3-178.956.30000114.3E51 K57E51-T55 HydrophobicContact CG-CG2 3.58Å; E51-T55 VanDerWaalsContact O-CB 3.26Å; E51-T55 WeakPolarHBondContact O-CB 2.88Å; E51-T55 WeakPolarHBondContact O-CG2 3.5Å; E51-T55 PolarHBondContact O-N 2.95Å; E51-T55 PolarHBondContact O-OG1 3.06Å; T55-K57 VanDerWaalsContact C-N 3.27Å; T55-K57 PolarHBondContact O-N 2.81Å; T55-K57 WeakPolarHBondContact OG1-CE 2.91Å
56N77.9Confident82.2Confident84 Ų84115.9 Ų115.945%0.44958%0.584SS.*  trans17.568.2-176.6-166.2-3.1000113.3Y54 N58 F59Y54-N56 VanDerWaalsContact C-N 3.33Å; Y54-N56 PolarHBondContact O-N 2.69Å; N56-N58 PolarHBondContact O-N 3.19Å; N56-N58 PolarHBondContact OD1-N 3.46Å; N56-F59 HydrophobicContact CB-CB 4.18Å; N56-F59 WeakPolarHBondContact O-CB 3.42Å; N56-F59 PolarHBondContact O-N 3.36Å; N56-F59 PolarHBondContact OD1-N 2.83Å
57K81.2Confident81.9Confident148 Ų148112.9 Ų112.964%0.64358%0.576SS**THydrogen-bonded Turntrans-63.5-10-176.7-59.9-176.4-178.9178.50112.8E51 T55E51-K57 IonicContact OE1-NZ 3.45Å; E51-K57 PolarHBondContact OE1-NZ 3.31Å; T55-K57 VanDerWaalsContact C-N 3.27Å; T55-K57 PolarHBondContact O-N 2.81Å; T55-K57 WeakPolarHBondContact OG1-CE 2.91Å
58N78Confident81.3Confident156 Ų156110.5 Ų110.583%0.83456%0.56SS**THydrogen-bonded Turntrans-89.5-8.6176.2-55.2-51.3000112.8N56 S60N56-N58 PolarHBondContact O-N 3.19Å; N56-N58 PolarHBondContact OD1-N 3.46Å; N58-S60 PolarHBondContact O-N 3.19Å
59F82.6Confident81Confident136 Ų136106.1 Ų106.160%0.59654%0.544SS*.  trans-89104.2176.8-175.9-99.7000109.7N56 K61N56-F59 HydrophobicContact CB-CB 4.18Å; N56-F59 WeakPolarHBondContact O-CB 3.42Å; N56-F59 PolarHBondContact O-N 3.36Å; N56-F59 PolarHBondContact OD1-N 2.83Å; F59-K61 HydrophobicContact CE1-CB 4.25Å
60S84.9Confident80.4Confident103 Ų103110.6 Ų110.672%0.7256%0.562SS**PPolyproline II helixtrans-89.2127.6158.7-173.20000107.9N58 P62N58-S60 PolarHBondContact O-N 3.19Å; S60-P62 WeakPolarHBondContact O-CD 3.05Å; S60-P62 VanDerWaalsContact O-N 3.16Å
61K86.4Confident79.7Confident125 Ų125110.6 Ų110.654%0.54356%0.557SS.*PPolyproline II helixtrans-57.6123.4172.8-171.8-175.9179-169.30106.7F59 E64F59-K61 HydrophobicContact CE1-CB 4.25Å; K61-E64 IonicContact NZ-OE1 3.48Å; K61-E64 PolarHBondContact NZ-OE1 3.26Å; K61-E64 IonicContact NZ-OE2 2.95Å; K61-E64 PolarHBondContact NZ-OE2 3.13Å
62P85.4Confident79.3Confident85 Ų85105.8 Ų105.855%0.55254%0.535SS*.PPolyproline II helixtrans-57.1149.4176.124.3-32.6000109.1S60 E64S60-P62 WeakPolarHBondContact O-CD 3.05Å; S60-P62 VanDerWaalsContact O-N 3.16Å; P62-E64 PolarHBondContact O-N 3.42Å
63P85Confident79.2Confident85 Ų85107.9 Ų107.955%0.55255%0.552SS**PPolyproline II helixtrans-55.4134-179.323.9-33.3000109.4S65 L67P63-S65 PolarHBondContact O-N 2.9Å; P63-S65 VanDerWaalsContact O-N 3.15Å; P63-L67 HydrophobicContact CG-CD2 4.29Å
64E81.3Confident79.5Confident167 Ų167106 Ų10678%0.7855%0.546SS*.SBendtrans-67-13.1179.2-150.5113.9-144.400111.9K61 P62K61-E64 IonicContact NZ-OE1 3.48Å; K61-E64 PolarHBondContact NZ-OE1 3.26Å; K61-E64 IonicContact NZ-OE2 2.95Å; K61-E64 PolarHBondContact NZ-OE2 3.13Å; P62-E64 PolarHBondContact O-N 3.42Å
65S78.3Confident79.5Confident76 Ų76101.1 Ų101.153%0.53153%0.532SS..SBendtrans-72.9154.1175.863.10000111.8P63P63-S65 PolarHBondContact O-N 2.9Å; P63-S65 VanDerWaalsContact O-N 3.15Å
66R77.6Confident79.6Confident77 Ų77103.7 Ų103.729%0.29154%0.543SS..PPolyproline II helixtrans-50.4147.3166.8176.6173.4163.7126.2-16.5109.6E72 F85 R92R66-E72 IonicContact CZ-OE1 3.19Å; R66-E72 IonicContact CZ-OE2 2.81Å; R66-E72 IonicContact NE-OE1 3.97Å; R66-E72 PolarHBondContact NE-OE1 3.3Å; R66-E72 IonicContact NE-OE2 3.9Å; R66-E72 PolarHBondContact NE-OE2 3.36Å; R66-E72 VanDerWaalsContact NH2-CD 3.34Å; R66-E72 IonicContact NH2-OE1 3.46Å; R66-E72 PolarHBondContact NH2-OE1 3.35Å; R66-E72 IonicContact NH2-OE2 3.31Å; R66-E72 PolarHBondContact NH2-OE2 3.02Å; R66-F85 WeakPolarHBondContact O-CE1 3.41Å; R66-R92 VanDerWaalsContact CZ-CZ 3.49Å
67L76.1Confident79.8Confident121 Ų121105.9 Ų105.963%0.63455%0.545SS*.PPolyproline II helixtrans-93148.2174.4-63.7175.8000111.3P63 F85P63-L67 HydrophobicContact CG-CD2 4.29Å; L67-F85 VanDerWaalsContact C-CE1 3.4Å
68E74.6Confident79.9Confident100 Ų100109.7 Ų109.747%0.46756%0.562SS.*PPolyproline II helixtrans-61.4150.6176.2-59.5-169.4157.400109.6W84 F85E68-W84 HydrophobicContact CB-CB 4.09Å; E68-W84 HydrophobicContact CG-CB 4.08Å; E68-F85 HydrophobicContact CB-CE1 4.25Å; E68-F85 HydrophobicContact CB-CZ 4.23Å; E68-F85 HydrophobicContact CG-CD1 4.02Å; E68-F85 HydrophobicContact CG-CD2 3.83Å; E68-F85 HydrophobicContact CG-CE1 3.43Å; E68-F85 VanDerWaalsContact CG-CE1 3.43Å; E68-F85 HydrophobicContact CG-CE2 3.25Å; E68-F85 HydrophobicContact CG-CG 4.22Å; E68-F85 HydrophobicContact CG-CZ 3.06Å; E68-F85 WeakPolarHBondContact OE1-CD2 3.46Å; E68-F85 WeakPolarHBondContact OE1-CE2 3.04Å
69T71.5Confident80.3Confident38 Ų38108 Ų10823%0.23355%0.553CS.*  trans-142.6142.7176.1-54.30000108.2F71 E72 R92T69-F71 HydrophobicContact CG2-CB 4.42Å; T69-F71 HydrophobicContact CG2-CD2 3.59Å; T69-F71 HydrophobicContact CG2-CE2 4.32Å; T69-F71 HydrophobicContact CG2-CG 4.39Å; T69-F71 PolarHBondContact O-N 3.27Å; T69-E72 WeakPolarHBondContact O-CB 3.44Å; T69-E72 PolarHBondContact O-N 2.85Å; T69-R92 VanDerWaalsContact OG1-CZ 3.24Å; T69-R92 PolarHBondContact OG1-NH1 3.26Å; T69-R92 PolarHBondContact OG1-NH2 3.41Å
70I74.4Confident80.4Confident149 Ų149104.7 Ų104.776%0.76456%0.557SS**THydrogen-bonded Turntrans-57.1-9.6179.161.7172000115
71F70Confident80.3Confident129 Ų129102 Ų10257%0.56654%0.539SS*.THydrogen-bonded Turntrans-98.5-2.2178.5-56.2-63.9000113.2T69 L94T69-F71 HydrophobicContact CG2-CB 4.42Å; T69-F71 HydrophobicContact CG2-CD2 3.59Å; T69-F71 HydrophobicContact CG2-CE2 4.32Å; T69-F71 HydrophobicContact CG2-CG 4.39Å; T69-F71 PolarHBondContact O-N 3.27Å; F71-L94 HydrophobicContact CD1-CD1 4.31Å; F71-L94 HydrophobicContact CE1-CD1 3.91Å; F71-L94 HydrophobicContact CZ-CD1 4.15Å; F71-L94 HydrophobicContact CZ-CD2 4.15Å
72E75.3Confident80.3Confident20 Ų20101.8 Ų101.89%0.09354%0.54CS..SBendtrans-84.9135178.3-148.7136.4175.400109R66 T69 W84 G86 R92R66-E72 IonicContact CZ-OE1 3.19Å; R66-E72 IonicContact CZ-OE2 2.81Å; R66-E72 IonicContact NE-OE1 3.97Å; R66-E72 PolarHBondContact NE-OE1 3.3Å; R66-E72 IonicContact NE-OE2 3.9Å; R66-E72 PolarHBondContact NE-OE2 3.36Å; R66-E72 VanDerWaalsContact NH2-CD 3.34Å; R66-E72 IonicContact NH2-OE1 3.46Å; R66-E72 PolarHBondContact NH2-OE1 3.35Å; R66-E72 IonicContact NH2-OE2 3.31Å; R66-E72 PolarHBondContact NH2-OE2 3.02Å; T69-E72 WeakPolarHBondContact O-CB 3.44Å; T69-E72 PolarHBondContact O-N 2.85Å; E72-W84 HydrophobicContact CB-CB 4.45Å; E72-W84 VanDerWaalsContact CB-O 3.24Å; E72-W84 WeakPolarHBondContact CB-O 3.24Å; E72-W84 WeakPolarHBondContact CG-O 3.31Å; E72-G86 WeakPolarHBondContact OE1-CA 3.39Å; E72-G86 PolarHBondContact OE1-N 2.99Å; E72-R92 IonicContact OE2-CZ 3.75Å; E72-R92 IonicContact OE2-NH2 3.95Å; E72-R92 PolarHBondContact OE2-NH2 3.1Å
73V80.9Confident79.9Confident121 Ų12198 Ų9873%0.73352%0.515SS*.PPolyproline II helixtrans-73131.9175.81780000108.3L75V73-L75 PolarHBondContact O-N 2.93Å
74P84.6Confident79.4Confident53 Ų5398.5 Ų98.534%0.34451%0.506SS..PPolyproline II helixtrans-62.9129.8179.420.2-25.5000110.2W84P74-W84 HydrophobicContact CB-CD2 4.07Å; P74-W84 HydrophobicContact CB-CE3 4.01Å; P74-W84 HydrophobicContact CB-CH2 3.81Å; P74-W84 HydrophobicContact CB-CZ2 3.86Å; P74-W84 HydrophobicContact CB-CZ3 3.9Å; P74-W84 VanDerWaalsContact CD-CZ3 3.44Å; P74-W84 HydrophobicContact CG-CE3 4.22Å; P74-W84 HydrophobicContact CG-CH2 3.59Å; P74-W84 HydrophobicContact CG-CZ2 4.14Å; P74-W84 HydrophobicContact CG-CZ3 3.66Å
75L81.3Confident78.9Confident85 Ų8593.4 Ų93.445%0.44548%0.481SS..EExtended strand (participates in β ladder)trans-110.5125.5179.5-176.567.4000109.9V73 R77 S83V73-L75 PolarHBondContact O-N 2.93Å; L75-R77 PolarHBondContact O-N 3.45Å; L75-S83 PolarHBondContact N-O 2.89Å; L75-S83 PolarHBondContact O-N 3.03Å; L75-S83 PolarHBondContact O-OG 3.13Å
76N84.3Confident78.5Confident119 Ų11991 Ų9164%0.63647%0.469SS*.EExtended strand (participates in β ladder)trans-73.9121.7176.9-68-44.9000111
77R81.6Confident78Confident130 Ų13093.5 Ų93.549%0.49150%0.495SS..  trans-86.5160.7171.6-63.3-172.3176.6-153.12.7110.5L75 N79 G80 S81 S83L75-R77 PolarHBondContact O-N 3.45Å; R77-N79 WeakPolarHBondContact CB-OD1 3.09Å; R77-N79 PolarHBondContact O-N 3.11Å; R77-G80 PolarHBondContact O-N 3Å; R77-S81 WeakPolarHBondContact CB-O 3.49Å; R77-S81 PolarHBondContact N-O 3.31Å; R77-S83 PolarHBondContact NE-OG 3.16Å
78K84.6Confident77.8Confident229 Ų22997.2 Ų97.2100%0.99650%0.501SS*.THydrogen-bonded Turntrans-59.1-21.5-179.3-63.6-177.5178.3-176.90114.2G80K78-G80 VanDerWaalsContact C-N 3.34Å
79N85.1Confident77.6Confident120 Ų120103.3 Ų103.364%0.64252%0.52SS*.THydrogen-bonded Turntrans-89.39.1177.361.7-35.8000113.4R77 S81R77-N79 WeakPolarHBondContact CB-OD1 3.09Å; R77-N79 PolarHBondContact O-N 3.11Å; N79-S81 PolarHBondContact ND2-OG 3.2Å; N79-S81 PolarHBondContact O-N 2.94Å; N79-S81 PolarHBondContact OD1-OG 3.1Å; N79-S81 VanDerWaalsContact OD1-OG 3.09Å
80G85.2Confident77.6Confident67 Ų67105.4 Ų105.469%0.69153%0.532SS*.SBendtrans76.8-1.4177.700000115.2R77 K78R77-G80 PolarHBondContact O-N 3Å; K78-G80 VanDerWaalsContact C-N 3.34Å
81S83.4Confident77.5Confident47 Ų47106.6 Ų106.633%0.32953%0.532SS..  trans-82.7137.4173.1640000111.1R77 N79R77-S81 WeakPolarHBondContact CB-O 3.49Å; R77-S81 PolarHBondContact N-O 3.31Å; N79-S81 PolarHBondContact ND2-OG 3.2Å; N79-S81 PolarHBondContact O-N 2.94Å; N79-S81 PolarHBondContact OD1-OG 3.1Å; N79-S81 VanDerWaalsContact OD1-OG 3.09Å
82E84.8Confident77.6Confident120 Ų120106 Ų10656%0.56153%0.525SS*.EExtended strand (participates in β ladder)trans-76.9138.8169.7-67.7176.9-176.900110.6
83S77.8Confident77.2Confident6 Ų6113.5 Ų113.54%0.04256%0.558CS.*EExtended strand (participates in β ladder)trans-129.3135.2170.663.20000111.3L75 R77 F85L75-S83 PolarHBondContact N-O 2.89Å; L75-S83 PolarHBondContact O-N 3.03Å; L75-S83 PolarHBondContact O-OG 3.13Å; R77-S83 PolarHBondContact NE-OG 3.16Å; S83-F85 PolarHBondContact O-N 3.29Å
84W74.4Confident76.7Confident95 Ų95112 Ų11236%0.3655%0.546SS..SBendtrans-90.931.7179.8-5383.9000110.6E68 E72 P74E68-W84 HydrophobicContact CB-CB 4.09Å; E68-W84 HydrophobicContact CG-CB 4.08Å; E72-W84 HydrophobicContact CB-CB 4.45Å; E72-W84 VanDerWaalsContact CB-O 3.24Å; E72-W84 WeakPolarHBondContact CB-O 3.24Å; E72-W84 WeakPolarHBondContact CG-O 3.31Å; P74-W84 HydrophobicContact CB-CD2 4.07Å; P74-W84 HydrophobicContact CB-CE3 4.01Å; P74-W84 HydrophobicContact CB-CH2 3.81Å; P74-W84 HydrophobicContact CB-CZ2 3.86Å; P74-W84 HydrophobicContact CB-CZ3 3.9Å; P74-W84 VanDerWaalsContact CD-CZ3 3.44Å; P74-W84 HydrophobicContact CG-CE3 4.22Å; P74-W84 HydrophobicContact CG-CH2 3.59Å; P74-W84 HydrophobicContact CG-CZ2 4.14Å; P74-W84 HydrophobicContact CG-CZ3 3.66Å
85F71.9Confident75.9Confident59 Ų59118.6 Ų118.626%0.25957%0.572SS.*  trans-121.6103.6-179.2-65.4-67.3000109.6R66 L67 E68 S83R66-F85 WeakPolarHBondContact O-CE1 3.41Å; L67-F85 VanDerWaalsContact C-CE1 3.4Å; E68-F85 HydrophobicContact CB-CE1 4.25Å; E68-F85 HydrophobicContact CB-CZ 4.23Å; E68-F85 HydrophobicContact CG-CD1 4.02Å; E68-F85 HydrophobicContact CG-CD2 3.83Å; E68-F85 HydrophobicContact CG-CE1 3.43Å; E68-F85 VanDerWaalsContact CG-CE1 3.43Å; E68-F85 HydrophobicContact CG-CE2 3.25Å; E68-F85 HydrophobicContact CG-CG 4.22Å; E68-F85 HydrophobicContact CG-CZ 3.06Å; E68-F85 WeakPolarHBondContact OE1-CD2 3.46Å; E68-F85 WeakPolarHBondContact OE1-CE2 3.04Å; S83-F85 PolarHBondContact O-N 3.29Å
86G68.4Low75.5Confident27 Ų27122.1 Ų122.128%0.27858%0.584SS.*  trans-72.2143.7163.900000110.5E72 R88E72-G86 WeakPolarHBondContact OE1-CA 3.39Å; E72-G86 PolarHBondContact OE1-N 2.99Å; G86-R88 PolarHBondContact O-N 3.11Å
87P68.4Low74.9Confident129 Ų129123.6 Ų123.684%0.83859%0.591SS**SBendtrans-66.6-17.7177.226-33.9000113.1
88R71.4Confident74.2Confident198 Ų198126.2 Ų126.275%0.74761%0.609SS**SBendtrans-99.6126.6-175.3-168.7177.3179.6-176.90.1111.8G86 V90G86-R88 PolarHBondContact O-N 3.11Å; R88-V90 HydrophobicContact CB-CG2 4.24Å; R88-V90 HydrophobicContact CG-CG2 3.89Å; R88-V90 PolarHBondContact O-N 3.06Å; R88-V90 VanDerWaalsContact O-N 3.1Å
89R70.3Confident73.2Confident229 Ų229120.9 Ų120.986%0.86460%0.595SS**  trans-72.8100.1168.2-63.4176.769.9170.82.7109.3
90V71.1Confident72.3Confident82 Ų82117.8 Ų117.850%0.49759%0.592SS.*  trans-103.2139.1175-174.30000109.9R88 R92R88-V90 HydrophobicContact CB-CG2 4.24Å; R88-V90 HydrophobicContact CG-CG2 3.89Å; R88-V90 PolarHBondContact O-N 3.06Å; R88-V90 VanDerWaalsContact O-N 3.1Å; V90-R92 PolarHBondContact O-N 3.49Å
91K73Confident71.3Confident173 Ų173123.8 Ų123.875%0.75260%0.602SS**  trans-68118.7169.6-76.3-174.7179.1178.40108.1F93K91-F93 HydrophobicContact CB-CD2 4.12Å; K91-F93 HydrophobicContact CB-CE2 3.74Å; K91-F93 HydrophobicContact CD-CE2 3.89Å; K91-F93 HydrophobicContact CD-CZ 4.14Å; K91-F93 HydrophobicContact CG-CE2 4.46Å; K91-F93 PolarHBondContact O-N 3.29Å
92R72.1Confident70.4Confident116 Ų116125.7 Ų125.744%0.43862%0.62SS.*  trans-89.988.9-177.8-53.1-180-170.4140.1-17.9108.1R66 T69 E72 V90R66-R92 VanDerWaalsContact CZ-CZ 3.49Å; T69-R92 VanDerWaalsContact OG1-CZ 3.24Å; T69-R92 PolarHBondContact OG1-NH1 3.26Å; T69-R92 PolarHBondContact OG1-NH2 3.41Å; E72-R92 IonicContact OE2-CZ 3.75Å; E72-R92 IonicContact OE2-NH2 3.95Å; E72-R92 PolarHBondContact OE2-NH2 3.1Å; V90-R92 PolarHBondContact O-N 3.49Å
93F67.8Low69.6Low179 Ų179131.2 Ų131.279%0.78564%0.636SS**  trans-85.1120.2166.7-67.7-78.3000107.2K91 E95K91-F93 HydrophobicContact CB-CD2 4.12Å; K91-F93 HydrophobicContact CB-CE2 3.74Å; K91-F93 HydrophobicContact CD-CE2 3.89Å; K91-F93 HydrophobicContact CD-CZ 4.14Å; K91-F93 HydrophobicContact CG-CE2 4.46Å; K91-F93 PolarHBondContact O-N 3.29Å; F93-E95 PolarHBondContact O-N 3.41Å
94L68.8Low69.2Low89 Ų89140 Ų14047%0.46667%0.673SS.*  trans-86.3107169-156.965.1000105.5F71 F96F71-L94 HydrophobicContact CD1-CD1 4.31Å; F71-L94 HydrophobicContact CE1-CD1 3.91Å; F71-L94 HydrophobicContact CZ-CD1 4.15Å; F71-L94 HydrophobicContact CZ-CD2 4.15Å; L94-F96 VanDerWaalsContact C-N 3.26Å; L94-F96 HydrophobicContact CB-CD2 4.24Å; L94-F96 HydrophobicContact CB-CE2 3.76Å; L94-F96 HydrophobicContact CB-CZ 4.03Å; L94-F96 HydrophobicContact CD2-CD1 4.28Å; L94-F96 HydrophobicContact CD2-CE1 3.42Å; L94-F96 VanDerWaalsContact CD2-CE1 3.42Å; L94-F96 HydrophobicContact CD2-CE2 3.87Å; L94-F96 HydrophobicContact CD2-CZ 3.19Å; L94-F96 HydrophobicContact CG-CE1 4.14Å; L94-F96 HydrophobicContact CG-CE2 4.12Å; L94-F96 HydrophobicContact CG-CZ 3.92Å; L94-F96 VanDerWaalsContact O-CD2 3.27Å; L94-F96 WeakPolarHBondContact O-CD2 3.35Å; L94-F96 PolarHBondContact O-N 3.37Å
95E69.1Low68.9Low192 Ų192141 Ų14190%0.89769%0.693SS**  trans-72.491172.9-170.7170.3-168.800106.9F93 L97F93-E95 PolarHBondContact O-N 3.41Å; E95-L97 PolarHBondContact O-N 3.06Å
96F71.8Confident68.6Low159 Ų159148 Ų14870%0.69772%0.722SS**  trans-71.8118.5168.7-64.4-80.6000106.5L94 E98L94-F96 VanDerWaalsContact C-N 3.26Å; L94-F96 HydrophobicContact CB-CD2 4.24Å; L94-F96 HydrophobicContact CB-CE2 3.76Å; L94-F96 HydrophobicContact CB-CZ 4.03Å; L94-F96 HydrophobicContact CD2-CD1 4.28Å; L94-F96 HydrophobicContact CD2-CE1 3.42Å; L94-F96 VanDerWaalsContact CD2-CE1 3.42Å; L94-F96 HydrophobicContact CD2-CE2 3.87Å; L94-F96 HydrophobicContact CD2-CZ 3.19Å; L94-F96 HydrophobicContact CG-CE1 4.14Å; L94-F96 HydrophobicContact CG-CE2 4.12Å; L94-F96 HydrophobicContact CG-CZ 3.92Å; L94-F96 VanDerWaalsContact O-CD2 3.27Å; L94-F96 WeakPolarHBondContact O-CD2 3.35Å; L94-F96 PolarHBondContact O-N 3.37Å; F96-E98 PolarHBondContact O-N 3.49Å; F96-E98 VanDerWaalsContact O-N 3.16Å
97L71.9Confident68.5Low150 Ų150155.9 Ų155.979%0.78575%0.749SS**  trans-51126.1164.2-169.669.4000106.8E95 V99E95-L97 PolarHBondContact O-N 3.06Å; L97-V99 HydrophobicContact CB-CG2 4.15Å; L97-V99 HydrophobicContact CD2-CG2 3.81Å; L97-V99 HydrophobicContact CG-CG2 3.81Å; L97-V99 PolarHBondContact O-N 3.06Å
98E66.9Low67.8Low184 Ų184155.4 Ų155.486%0.8675%0.746SS**SBendtrans-71.852.4-167.3-154.3175.5-159.300111.9F96 G100F96-E98 PolarHBondContact O-N 3.49Å; F96-E98 VanDerWaalsContact O-N 3.16Å; E98-G100 PolarHBondContact O-N 3Å
99V63.1Low67Low117 Ų117153.9 Ų153.971%0.70975%0.752SS**  trans-88.99.6179.3-161.90000111.1L97L97-V99 HydrophobicContact CB-CG2 4.15Å; L97-V99 HydrophobicContact CD2-CG2 3.81Å; L97-V99 HydrophobicContact CG-CG2 3.81Å; L97-V99 PolarHBondContact O-N 3.06Å
100G66Low65.9Low55 Ų55149.5 Ų149.557%0.56775%0.75SS**SBendtrans-109.9120.3172.300000109.4E98 A102E98-G100 PolarHBondContact O-N 3Å; G100-A102 PolarHBondContact O-N 3.31Å
101E65.8Low64.8Low193 Ų193148 Ų14890%0.90275%0.751SS**  trans-44.6135.3170.4-78.5-165.1149.100111R103E101-R103 PolarHBondContact O-N 3.33Å
102A64.8Low63.3Low87 Ų87147 Ų14772%0.71976%0.759SS**  trans-51111.2176.100000110.1G100 K104G100-A102 PolarHBondContact O-N 3.31Å; A102-K104 PolarHBondContact O-N 3.33Å; A102-K104 VanDerWaalsContact O-N 3.09Å
103R67.9Low61.9Low237 Ų237144.6 Ų144.689%0.89477%0.771SS**PPolyproline II helixtrans-57.7120.4177.1-68.6-178.7-179.3160.12.3108.1E101E101-R103 PolarHBondContact O-N 3.33Å
104K69.3Low60.7Low189 Ų189145.5 Ų145.582%0.82278%0.775SS**PPolyproline II helixtrans-53.7130176.3-61.1-63.9-178.9-174.70109A102 K106A102-K104 PolarHBondContact O-N 3.33Å; A102-K104 VanDerWaalsContact O-N 3.09Å; K104-K106 PolarHBondContact O-N 3.19Å; K104-K106 VanDerWaalsContact O-N 3.16Å
105P68.4Low59.6Low118 Ų118148 Ų14877%0.76679%0.794SS**PPolyproline II helixtrans-59.5123.617923.4-32.3000108.9K107P105-K107 PolarHBondContact O-N 3.24Å; P105-K107 VanDerWaalsContact O-N 3.14Å
106K64.9Low58.2Low204 Ų204142 Ų14289%0.88778%0.783SS**  trans-66.5114169.2-72.3-166.7175.9-176.70107.1K104K104-K106 PolarHBondContact O-N 3.19Å; K104-K106 VanDerWaalsContact O-N 3.16Å
107K66.6Low56.9Low193 Ų193140.9 Ų140.984%0.83979%0.792SS**  trans-51.4133.6169.3-63.3179.1-179.9-179.20108.2P105 L109P105-K107 PolarHBondContact O-N 3.24Å; P105-K107 VanDerWaalsContact O-N 3.14Å; K107-L109 PolarHBondContact O-N 2.95Å
108P53.3Low55.7Low119 Ų119138.8 Ų138.877%0.77379%0.79SS**  trans-63.3111.8174.925-31.1000108.4V110P108-V110 PolarHBondContact O-N 3.16Å
109L55.1Low55Low167 Ų167135.8 Ų135.887%0.87479%0.79SS**  trans-76.881.4173.6-166.676.1000108K107 G111K107-L109 PolarHBondContact O-N 2.95Å; L109-G111 PolarHBondContact O-N 2.96Å
110V45.8Very low54.3Low137 Ų137135 Ų13583%0.8379%0.79SS**  trans-71.3115.1160.7170.20000107P108P108-V110 PolarHBondContact O-N 3.16Å
111G49.6Very low53.5Low50 Ų50143 Ų14352%0.51580%0.802SS.*  trans104.7121.7152.400000117.7L109L109-G111 PolarHBondContact O-N 2.96Å
112V40.4Very low52.5Low151 Ų151139.7 Ų139.792%0.91580%0.798SS**  trans83.898.4142.1-1630000118.2
113G42Very low52Low67 Ų67147.1 Ų147.169%0.69181%0.807SS**  89111119.600000120.6
114K42.6Very low51.2Low197 Ų197147.6 Ų147.686%0.85781%0.809SS**  trans84.9115.3137.8-63-177.3177.51780121.3
115T45.5Very low50.1Low141 Ų141142.3 Ų142.387%0.86581%0.808SS**  trans57.2110.6130.461.10000121.4
116G41.1Very low49.2Very low66 Ų66140.3 Ų140.368%0.6881%0.809SS**  trans172.1134.9154.300000111.8S118G116-S118 PolarHBondContact O-N 2.78Å
117P44.5Very low48.5Very low136 Ų136139.6 Ų139.688%0.88381%0.806SS**  trans-73.4111.4-177.329.4-32.2000110.5S119P117-S119 PolarHBondContact O-N 2.98Å
118S47.2Very low47.6Very low107 Ų107134.7 Ų134.775%0.74880%0.795SS**  trans-74.792.4173-170.30000109.7G116 S120G116-S118 PolarHBondContact O-N 2.78Å; S118-S120 VanDerWaalsContact C-N 3.29Å; S118-S120 PolarHBondContact O-N 3.12Å
119S51.6Low47.7Very low121 Ų121138.5 Ų138.585%0.84680%0.799SS**  trans-68.389.8163.5-176.40000108.5P117 R121P117-S119 PolarHBondContact O-N 2.98Å; S119-R121 PolarHBondContact O-N 3.2Å
120S49Very low47.7Very low101 Ų101137.7 Ų137.771%0.70680%0.795SS**  trans-94.491.3172.749.70000109.3S118S118-S120 VanDerWaalsContact C-N 3.29Å; S118-S120 PolarHBondContact O-N 3.12Å
121R47.7Very low48.2Very low222 Ų222138.5 Ų138.584%0.83879%0.79SS**  trans-59.1129.6164.8-154.8178.8-161.1-1614.8107.8S119 R123S119-R121 PolarHBondContact O-N 3.2Å; R121-R123 PolarHBondContact O-N 3.24Å
122P46Very low48.7Very low124 Ų124140.8 Ų140.881%0.80580%0.796SS**  trans-67.4109.3174.526.7-30.6000107.7R124P122-R124 PolarHBondContact O-N 3Å
123R52.5Low49.7Very low243 Ų243139.2 Ų139.292%0.91779%0.792SS**PPolyproline II helixtrans-64.5123.1166.7-73.8-176.6169-136.3-1106.7R121 G125R121-R123 PolarHBondContact O-N 3.24Å; R123-G125 PolarHBondContact O-N 2.94Å
124R52.3Low50.6Low246 Ų246141.2 Ų141.293%0.92879%0.786SS**PPolyproline II helixtrans-47.4128.1165.2-89-177168.5-147.9-2107.9P122 G126P122-R124 PolarHBondContact O-N 3Å; R124-G126 PolarHBondContact O-N 3.4Å
125G45.4Very low52.3Low78 Ų78134.3 Ų134.380%0.80476%0.763SS**PPolyproline II helixtrans-54.9120.3176.300000109.8R123R123-G125 PolarHBondContact O-N 2.94Å
126G49.4Very low53.8Low77 Ų77133 Ų13379%0.79475%0.754SS**PPolyproline II helixtrans-73.6122.2164.400000107.7R124R124-G126 PolarHBondContact O-N 3.4Å
127F50Low55.8Low188 Ų188137 Ų13783%0.82576%0.755SS**PPolyproline II helixtrans-65.3139.6168.6-139.5-101.1000108.4
128P47.9Very low57.8Low91 Ų91134 Ų13459%0.59173%0.732SS**PPolyproline II helixtrans-58.7139.3172.825.1-32000109.8D130P128-D130 VanDerWaalsContact C-N 3.31Å; P128-D130 PolarHBondContact O-N 3.03Å
129K57.1Low59.9Low198 Ų198132.5 Ų132.586%0.86172%0.718SS**SBendtrans-90.211.5-164.2-116.8-159.6-179.5-165.60114
130D53.5Low61.8Low150 Ų150130.9 Ų130.980%0.80270%0.7SS**  trans-103.7-2.2-162.8-55.8-37000114P128P128-D130 VanDerWaalsContact C-N 3.31Å; P128-D130 PolarHBondContact O-N 3.03Å
131E56.9Low63.9Low154 Ų154129.2 Ų129.272%0.7269%0.688SS**SBendtrans-97.4138.1163.9-78.2-66.8147.300108.7S133E131-S133 PolarHBondContact O-N 2.95Å
132P59.8Low66.2Low99 Ų99123.2 Ų123.264%0.64367%0.672SS**  trans-51.7117.9173.323.5-32.3000106.9L134P132-L134 VanDerWaalsContact C-N 3.28Å; P132-L134 PolarHBondContact O-N 3.2Å
133S60.7Low68.5Low118 Ų118121.9 Ų121.983%0.82566%0.658SS**  trans-59.398.1-176.756.10000107.7E131 S135E131-S133 PolarHBondContact O-N 2.95Å; S133-S135 PolarHBondContact O-N 2.99Å; S133-S135 VanDerWaalsContact O-N 3.13Å
134L62.3Low70.6Confident108 Ų108113.9 Ų113.957%0.56564%0.638SS**  trans-54.3122.9173.7-65.8178000105.5P132 D138 V139P132-L134 VanDerWaalsContact C-N 3.28Å; P132-L134 PolarHBondContact O-N 3.2Å; L134-D138 HydrophobicContact CB-CB 4.08Å; L134-D138 HydrophobicContact CD2-CB 4.38Å; L134-V139 HydrophobicContact CB-CG2 4.09Å
135S78.4Confident72.7Confident53 Ų53105.5 Ų105.537%0.37162%0.617SS.*  trans-59.8155.5178.872.50000108.4S133 Q137 D138 V139S133-S135 PolarHBondContact O-N 2.99Å; S133-S135 VanDerWaalsContact O-N 3.13Å; S135-Q137 PolarHBondContact O-N 3.01Å; S135-Q137 WeakPolarHBondContact OG-CB 3.44Å; S135-D138 VanDerWaalsContact CB-OD2 3.3Å; S135-D138 WeakPolarHBondContact CB-OD2 3.48Å; S135-D138 PolarHBondContact N-OD2 2.73Å; S135-D138 WeakPolarHBondContact O-CA 3.4Å; S135-D138 WeakPolarHBondContact O-CB 3.27Å; S135-D138 PolarHBondContact O-N 3.09Å; S135-D138 PolarHBondContact OG-N 3.02Å; S135-D138 PolarHBondContact OG-OD1 3.2Å; S135-D138 PolarHBondContact OG-OD2 3.11Å; S135-V139 PolarHBondContact O-N 2.99Å
136V76.6Confident75.1Confident113 Ų113106.8 Ų106.869%0.68560%0.601SS**Hα-helixtrans-52.9-34.1177.1179.30000110.7V139 D140V136-V139 PolarHBondContact O-N 2.99Å; V136-D140 PolarHBondContact O-N 3.39Å
137Q82.1Confident77.4Confident150 Ų150107.3 Ų107.370%0.70159%0.585SS**Hα-helixtrans-62.2-42.2173.9-162.39130.200113S135 V139 D140 S141S135-Q137 PolarHBondContact O-N 3.01Å; S135-Q137 WeakPolarHBondContact OG-CB 3.44Å; Q137-V139 VanDerWaalsContact C-N 3.34Å; Q137-D140 PolarHBondContact O-N 2.96Å; Q137-S141 WeakPolarHBondContact O-CB 3.22Å; Q137-S141 PolarHBondContact O-N 3.14Å; Q137-S141 PolarHBondContact O-OG 3.33Å
138D88.2Confident79.6Confident73 Ų73103 Ų10339%0.3957%0.571SS.*Hα-helixtrans-68.3-36.5178.5-56.7-38.2000111L134 S135 S141 L142L134-D138 HydrophobicContact CB-CB 4.08Å; L134-D138 HydrophobicContact CD2-CB 4.38Å; S135-D138 VanDerWaalsContact CB-OD2 3.3Å; S135-D138 WeakPolarHBondContact CB-OD2 3.48Å; S135-D138 PolarHBondContact N-OD2 2.73Å; S135-D138 WeakPolarHBondContact O-CA 3.4Å; S135-D138 WeakPolarHBondContact O-CB 3.27Å; S135-D138 PolarHBondContact O-N 3.09Å; S135-D138 PolarHBondContact OG-N 3.02Å; S135-D138 PolarHBondContact OG-OD1 3.2Å; S135-D138 PolarHBondContact OG-OD2 3.11Å; D138-S141 WeakPolarHBondContact CA-OG 3.31Å; D138-S141 PolarHBondContact O-OG 3.41Å; D138-L142 VanDerWaalsContact O-CB 3.29Å; D138-L142 WeakPolarHBondContact O-CB 3.36Å; D138-L142 PolarHBondContact O-N 3.16Å
139V89.9Confident82Confident75 Ų75103.8 Ų103.846%0.45557%0.566SS.*Hα-helixtrans-65.6-45.6174.3177.80000111L134 S135 V136 Q137 L142 L143L134-V139 HydrophobicContact CB-CG2 4.09Å; S135-V139 PolarHBondContact O-N 2.99Å; V136-V139 PolarHBondContact O-N 2.99Å; Q137-V139 VanDerWaalsContact C-N 3.34Å; V139-L142 PolarHBondContact O-N 3.32Å; V139-L143 WeakPolarHBondContact O-CB 3.45Å; V139-L143 PolarHBondContact O-N 2.98Å
140D92.3Very high83.8Confident87 Ų8799.3 Ų99.347%0.46555%0.551SS.*Hα-helixtrans-65.6-41.5179.9-73.6-18.9000111.5V136 Q137 L143 C144V136-D140 PolarHBondContact O-N 3.39Å; Q137-D140 PolarHBondContact O-N 2.96Å; D140-L143 PolarHBondContact O-N 3.34Å; D140-C144 PolarHBondContact O-N 3.06Å; D140-C144 PolarHBondContact O-SG 3.16Å
141S93.8Very high85.7Confident67 Ų6796.5 Ų96.547%0.46954%0.536SS..Hα-helixtrans-65.8-40.4176.157.90000112.9Q137 D138 L143 C144 S145Q137-S141 WeakPolarHBondContact O-CB 3.22Å; Q137-S141 PolarHBondContact O-N 3.14Å; Q137-S141 PolarHBondContact O-OG 3.33Å; D138-S141 WeakPolarHBondContact CA-OG 3.31Å; D138-S141 PolarHBondContact O-OG 3.41Å; S141-L143 VanDerWaalsContact C-N 3.32Å; S141-L143 PolarHBondContact O-N 3.49Å; S141-C144 PolarHBondContact O-N 3.34Å; S141-S145 WeakPolarHBondContact O-CB 3.4Å; S141-S145 PolarHBondContact O-N 3.4Å
142L94.8Very high87.5Confident95 Ų9595 Ų9550%0.49753%0.533SS..Hα-helixtrans-62.2-41.3173.9-179.462.5000111.5D138 V139 S145 K146D138-L142 VanDerWaalsContact O-CB 3.29Å; D138-L142 WeakPolarHBondContact O-CB 3.36Å; D138-L142 PolarHBondContact O-N 3.16Å; V139-L142 PolarHBondContact O-N 3.32Å; L142-S145 PolarHBondContact O-N 3.28Å; L142-K146 HydrophobicContact CD1-CG 4.5Å; L142-K146 WeakPolarHBondContact O-CG 3.34Å; L142-K146 PolarHBondContact O-N 2.98Å
143L94.9Very high89.2Confident97 Ų9798.1 Ų98.151%0.50853%0.531SS..Hα-helixtrans-62.6-47.8176.7178.661.5000111.5V139 D140 S141 S145 K146 L147V139-L143 WeakPolarHBondContact O-CB 3.45Å; V139-L143 PolarHBondContact O-N 2.98Å; D140-L143 PolarHBondContact O-N 3.34Å; S141-L143 VanDerWaalsContact C-N 3.32Å; S141-L143 PolarHBondContact O-N 3.49Å; L143-S145 PolarHBondContact O-N 3.2Å; L143-K146 PolarHBondContact O-N 3.2Å; L143-L147 HydrophobicContact CD1-CD1 4.24Å; L143-L147 HydrophobicContact CD1-CG 4.27Å; L143-L147 HydrophobicContact CG-CD1 4.11Å; L143-L147 WeakPolarHBondContact O-CG 3.38Å; L143-L147 PolarHBondContact O-N 3.39Å
144C95.4Very high90.6Very high74 Ų7496.8 Ų96.850%0.552%0.515SS..Hα-helixtrans-58.8-47.3177.1-69.60000111.7D140 S141 K146 L147 D148D140-C144 PolarHBondContact O-N 3.06Å; D140-C144 PolarHBondContact O-SG 3.16Å; S141-C144 PolarHBondContact O-N 3.34Å; C144-K146 VanDerWaalsContact C-N 3.31Å; C144-K146 PolarHBondContact O-N 2.99Å; C144-L147 PolarHBondContact O-N 3.17Å; C144-L147 VanDerWaalsContact O-N 3.17Å; C144-D148 PolarHBondContact O-N 2.94Å
145S96.4Very high92Very high70 Ų7096.7 Ų96.749%0.4951%0.514SS..Hα-helixtrans-56.3-44.4176.8175.20000112.2S141 L142 L143 D148 E149S141-S145 WeakPolarHBondContact O-CB 3.4Å; S141-S145 PolarHBondContact O-N 3.4Å; L142-S145 PolarHBondContact O-N 3.28Å; L143-S145 PolarHBondContact O-N 3.2Å; S145-D148 PolarHBondContact O-N 3.38Å; S145-E149 PolarHBondContact O-N 3.39Å; S145-E149 VanDerWaalsContact O-N 3.08Å
146K97.4Very high92.3Very high105 Ų10598.9 Ų98.946%0.45752%0.518SS..Hα-helixtrans-68.5-35.3178-73-72.3163.2-157.60113.3L142 L143 C144 E149 L150L142-K146 HydrophobicContact CD1-CG 4.5Å; L142-K146 WeakPolarHBondContact O-CG 3.34Å; L142-K146 PolarHBondContact O-N 2.98Å; L143-K146 PolarHBondContact O-N 3.2Å; C144-K146 VanDerWaalsContact C-N 3.31Å; C144-K146 PolarHBondContact O-N 2.99Å; K146-E149 IonicContact NZ-OE1 2.72Å; K146-E149 IonicContact NZ-OE2 2.64Å; K146-E149 PolarHBondContact NZ-OE2 2.99Å; K146-L150 WeakPolarHBondContact O-CG 3.45Å; K146-L150 PolarHBondContact O-N 2.71Å
147L97.3Very high92.4Very high89 Ų8996.2 Ų96.247%0.46650%0.5SS..Hα-helixtrans-68.2-37.6175.5-71173000111.9L143 C144 L150 N151L143-L147 HydrophobicContact CD1-CD1 4.24Å; L143-L147 HydrophobicContact CD1-CG 4.27Å; L143-L147 HydrophobicContact CG-CD1 4.11Å; L143-L147 WeakPolarHBondContact O-CG 3.38Å; L143-L147 PolarHBondContact O-N 3.39Å; C144-L147 PolarHBondContact O-N 3.17Å; C144-L147 VanDerWaalsContact O-N 3.17Å; L147-L150 PolarHBondContact O-N 3.47Å; L147-N151 PolarHBondContact O-N 3.19Å; L147-N151 PolarHBondContact O-ND2 2.95Å
148D96.6Very high92Very high98 Ų9892.8 Ų92.852%0.52448%0.484SS..Hα-helixtrans-67-41.3175.9-74.8-19000111.9C144 S145 L150 N151 L152C144-D148 PolarHBondContact O-N 2.94Å; S145-D148 PolarHBondContact O-N 3.38Å; D148-L150 VanDerWaalsContact C-N 3.3Å; D148-L150 PolarHBondContact O-N 2.72Å; D148-N151 PolarHBondContact O-N 3.09Å; D148-L152 WeakPolarHBondContact O-CG 3.43Å; D148-L152 PolarHBondContact O-N 3.08Å
149E96.6Very high90.9Very high107 Ų10791.8 Ų91.850%0.548%0.483SS..Hα-helixtrans-55.9-44.7173.3-171.5-178.417000111.5S145 K146 L152 W153S145-E149 PolarHBondContact O-N 3.39Å; S145-E149 VanDerWaalsContact O-N 3.08Å; K146-E149 IonicContact NZ-OE1 2.72Å; K146-E149 IonicContact NZ-OE2 2.64Å; K146-E149 PolarHBondContact NZ-OE2 2.99Å; E149-L152 PolarHBondContact O-N 3.34Å; E149-W153 PolarHBondContact O-N 3.4Å
150L95.9Very high89.4Confident104 Ų10493.8 Ų93.855%0.54549%0.487SS..Hα-helixtrans-67.9-38177.3-68.4176.3000112.9K146 L147 D148 L152 W153 L154K146-L150 WeakPolarHBondContact O-CG 3.45Å; K146-L150 PolarHBondContact O-N 2.71Å; L147-L150 PolarHBondContact O-N 3.47Å; D148-L150 VanDerWaalsContact C-N 3.3Å; D148-L150 PolarHBondContact O-N 2.72Å; L150-L152 VanDerWaalsContact C-N 3.33Å; L150-W153 PolarHBondContact O-N 3.03Å; L150-L154 WeakPolarHBondContact O-CB 3.47Å; L150-L154 PolarHBondContact O-N 3.49Å
151N93.3Very high87.7Confident91 Ų9196.4 Ų96.449%0.48750%0.496SS..Hα-helixtrans-62.3-42.6175.2-78.3-29.9000111.4L147 D148 L154 I155L147-N151 PolarHBondContact O-N 3.19Å; L147-N151 PolarHBondContact O-ND2 2.95Å; D148-N151 PolarHBondContact O-N 3.09Å; N151-L154 PolarHBondContact O-N 3.33Å; N151-I155 WeakPolarHBondContact O-CD1 3.29Å; N151-I155 VanDerWaalsContact O-CG1 3.22Å; N151-I155 WeakPolarHBondContact O-CG1 3.46Å; N151-I155 PolarHBondContact O-N 2.97Å
152L95.4Very high85.9Confident123 Ų123100.4 Ų100.464%0.64450%0.501SS*.Hα-helixtrans-62.6-43.1176-69.8171.8000111.7D148 E149 L150 I155 H156D148-L152 WeakPolarHBondContact O-CG 3.43Å; D148-L152 PolarHBondContact O-N 3.08Å; E149-L152 PolarHBondContact O-N 3.34Å; L150-L152 VanDerWaalsContact C-N 3.33Å; L152-I155 PolarHBondContact O-N 3.47Å; L152-H156 PolarHBondContact O-N 3.41Å
153W93.9Very high83.9Confident163 Ų163103.6 Ų103.662%0.61751%0.513SS*.Hα-helixtrans-60.9-45.2176.7-169.762.4000111.7E149 L150 I155 H156 D157E149-W153 PolarHBondContact O-N 3.4Å; L150-W153 PolarHBondContact O-N 3.03Å; W153-I155 VanDerWaalsContact C-N 3.34Å; W153-I155 PolarHBondContact O-N 3.35Å; W153-H156 WeakPolarHBondContact O-CB 3.45Å; W153-H156 PolarHBondContact O-N 3.27Å; W153-D157 PolarHBondContact O-N 3.48Å
154L91.7Very high81.9Confident90 Ų90104 Ų10447%0.47152%0.52SS..Hα-helixtrans-65.3-35.9178-169.970.3000113L150 N151 Q158L150-L154 WeakPolarHBondContact O-CB 3.47Å; L150-L154 PolarHBondContact O-N 3.49Å; N151-L154 PolarHBondContact O-N 3.33Å; L154-Q158 WeakPolarHBondContact O-CG 3.35Å; L154-Q158 PolarHBondContact O-N 3Å
155I92Very high79.8Confident106 Ų106106.9 Ų106.954%0.54453%0.531SS..Hα-helixtrans-66.1-42.2175.3-70.2163.9000110.1N151 L152 W153 Q158 S159N151-I155 WeakPolarHBondContact O-CD1 3.29Å; N151-I155 VanDerWaalsContact O-CG1 3.22Å; N151-I155 WeakPolarHBondContact O-CG1 3.46Å; N151-I155 PolarHBondContact O-N 2.97Å; L152-I155 PolarHBondContact O-N 3.47Å; W153-I155 VanDerWaalsContact C-N 3.34Å; W153-I155 PolarHBondContact O-N 3.35Å; I155-Q158 PolarHBondContact O-N 3.4Å; I155-S159 PolarHBondContact O-N 3.42Å; I155-S159 PolarHBondContact O-OG 3.05Å; I155-S159 VanDerWaalsContact O-OG 3.11Å
156H83.6Confident77.6Confident100 Ų100109.8 Ų109.846%0.46354%0.541SS..Hα-helixtrans-61.3-48.2178.2-171.3-90.3000111.7L152 W153 Q158 S159 E160L152-H156 PolarHBondContact O-N 3.41Å; W153-H156 WeakPolarHBondContact O-CB 3.45Å; W153-H156 PolarHBondContact O-N 3.27Å; H156-Q158 VanDerWaalsContact C-N 3.29Å; H156-Q158 PolarHBondContact O-N 2.98Å; H156-S159 VanDerWaalsContact CA-OG 3.31Å; H156-S159 WeakPolarHBondContact CA-OG 3.5Å; H156-S159 PolarHBondContact O-N 3Å; H156-S159 PolarHBondContact O-OG 2.94Å; H156-E160 IonicContact CE1-OE1 3.82Å; H156-E160 PolarHBondContact CE1-OE1 2.86Å; H156-E160 IonicContact ND1-OE1 3.92Å; H156-E160 IonicContact NE2-OE1 3.09Å; H156-E160 PolarHBondContact O-N 3.06Å
157D78.5Confident75.5Confident56 Ų56109 Ų10930%0.29955%0.554SS.*Hα-helixtrans-58.6-40.5177.1-71-3.4000111.7W153 S159 E161W153-D157 PolarHBondContact O-N 3.48Å; D157-S159 PolarHBondContact O-N 3.36Å; D157-E161 PolarHBondContact O-N 3.04Å
158Q73.9Confident73.3Confident78 Ų78110.5 Ų110.536%0.36457%0.566SS.*Hα-helixtrans-72.6-24.1176.5-72.6179.53700114.3L154 I155 H156 R162L154-Q158 WeakPolarHBondContact O-CG 3.35Å; L154-Q158 PolarHBondContact O-N 3Å; I155-Q158 PolarHBondContact O-N 3.4Å; H156-Q158 VanDerWaalsContact C-N 3.29Å; H156-Q158 PolarHBondContact O-N 2.98Å; Q158-R162 WeakPolarHBondContact O-CG 3.3Å; Q158-R162 PolarHBondContact O-NH1 3.31Å
159S65.4Low71Confident53 Ų53110.6 Ų110.637%0.37157%0.573SS.*Hα-helixtrans-77.3-37.3174.440.30000111.9I155 H156 D157 E161 R162 E163I155-S159 PolarHBondContact O-N 3.42Å; I155-S159 PolarHBondContact O-OG 3.05Å; I155-S159 VanDerWaalsContact O-OG 3.11Å; H156-S159 VanDerWaalsContact CA-OG 3.31Å; H156-S159 WeakPolarHBondContact CA-OG 3.5Å; H156-S159 PolarHBondContact O-N 3Å; H156-S159 PolarHBondContact O-OG 2.94Å; D157-S159 PolarHBondContact O-N 3.36Å; S159-E161 VanDerWaalsContact C-N 3.29Å; S159-E161 PolarHBondContact O-N 2.95Å; S159-R162 PolarHBondContact O-N 3.41Å; S159-R162 VanDerWaalsContact O-N 3.1Å; S159-E163 PolarHBondContact O-N 2.94Å
160E58.7Low68.8Low116 Ų116113 Ų11354%0.54259%0.594SS.*Hα-helixtrans-63.9-34.6176.2-69.5-164.2160.900111.9H156 R162H156-E160 IonicContact CE1-OE1 3.82Å; H156-E160 PolarHBondContact CE1-OE1 2.86Å; H156-E160 IonicContact ND1-OE1 3.92Å; H156-E160 IonicContact NE2-OE1 3.09Å; H156-E160 PolarHBondContact O-N 3.06Å; E160-R162 VanDerWaalsContact C-N 3.31Å; E160-R162 PolarHBondContact O-N 2.97Å
161E56.3Low66.7Low143 Ų143112.5 Ų112.567%0.66860%0.6SS**Hα-helixtrans-70.2-21.2174.2-70.3-176.4166.800113.9D157 S159 T164D157-E161 PolarHBondContact O-N 3.04Å; S159-E161 VanDerWaalsContact C-N 3.29Å; S159-E161 PolarHBondContact O-N 2.95Å; E161-T164 PolarHBondContact O-OG1 2.7Å
162R55.3Low64.7Low151 Ų151112.7 Ų112.757%0.5761%0.613SS**Hα-helixtrans-93.6-17.1-179.2-68.4-175.5-165.6109.82.5113.8Q158 S159 E160 N166Q158-R162 WeakPolarHBondContact O-CG 3.3Å; Q158-R162 PolarHBondContact O-NH1 3.31Å; S159-R162 PolarHBondContact O-N 3.41Å; S159-R162 VanDerWaalsContact O-N 3.1Å; E160-R162 VanDerWaalsContact C-N 3.31Å; E160-R162 PolarHBondContact O-N 2.97Å; R162-N166 PolarHBondContact O-ND2 2.65Å
163E52.8Low62.2Low161 Ų161114.8 Ų114.875%0.75262%0.624SS**Hα-helixtrans-78-22.1175.3-100.8-178.2168.600112.9S159 D165S159-E163 PolarHBondContact O-N 2.94Å; E163-D165 VanDerWaalsContact C-N 3.32Å; E163-D165 PolarHBondContact O-N 3.13Å
164T54.4Low60Low106 Ų106115.8 Ų115.865%0.6564%0.638SS**THydrogen-bonded Turntrans-77.4-14.5178.357.50000114.5E161E161-T164 PolarHBondContact O-OG1 2.7Å
165D50.1Low58Low135 Ų135121.1 Ų121.172%0.72267%0.674SS**THydrogen-bonded Turntrans-98-5.9-176.9-72.9-3.2000113.9E163E163-D165 VanDerWaalsContact C-N 3.32Å; E163-D165 PolarHBondContact O-N 3.13Å
166N50.5Low56.3Low130 Ų130121.9 Ų121.970%0.69568%0.681SS**  trans-106.816.1-175.9-70.9-69.2000114.7R162 V168R162-N166 PolarHBondContact O-ND2 2.65Å; N166-V168 VanDerWaalsContact C-N 3.33Å; N166-V168 PolarHBondContact O-N 2.87Å; N166-V168 VanDerWaalsContact O-N 3.11Å
167A52.4Low54.8Low90 Ų90123.1 Ų123.174%0.74469%0.692SS**  trans-83.774.4169.900000110.9
168V52.2Low53.5Low119 Ų119126.8 Ų126.872%0.72171%0.714SS**  trans-76.8122.5164.7179.70000108.1N166 V170N166-V168 VanDerWaalsContact C-N 3.33Å; N166-V168 PolarHBondContact O-N 2.87Å; N166-V168 VanDerWaalsContact O-N 3.11Å; V168-V170 PolarHBondContact O-N 3.41Å; V168-V170 VanDerWaalsContact O-N 3.16Å
169P47.9Very low52.3Low101 Ų101129.6 Ų129.666%0.65673%0.734SS**  trans-70.8113.3177.727.9-31.8000109.6S171P169-S171 PolarHBondContact O-N 3.25Å
170V50.7Low51.5Low156 Ų156134.4 Ų134.495%0.94576%0.757SS**  trans-72.980.5165.3-176.10000107.6V168V168-V170 PolarHBondContact O-N 3.41Å; V168-V170 VanDerWaalsContact O-N 3.16Å
171S52.1Low51Low95 Ų95135.7 Ų135.766%0.66477%0.772SS**  trans-140.9132165.565.30000109.3P169P169-S171 PolarHBondContact O-N 3.25Å
172A50.3Low50.6Low94 Ų94135.1 Ų135.178%0.77778%0.779SS**  trans82.991.6-179.500000115.2
173I44.4Very low50.3Low168 Ų168133.9 Ų133.986%0.86280%0.795SS**  -142.2102.6108.2-55.3-171.1000107.6
174M46.9Very low50.1Low184 Ų184131.7 Ų131.791%0.90680%0.799SS**  trans-110106.6161179.2160.478.900105.9
175T48.6Very low49.7Very low202 Ų202134 Ų134100%1.23981%0.812SS**  trans-179.2015223.90000108.6

Retrieved 175 of 175 residues in 117.6 ms (Link to these results)