Z4YJN4_MOUSE Loading...

Chibby family member 3

AlphaFold DB , UniProt , Accession Z4YJN4, Species MOUSE (Mus musculus, Mouse), Gene Cby3, Length 140 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M60.7Low72.7Confident234 Ų234115.2 Ų115.2100%1.15356%0.561SS**  0125.30-82.1-72.8169.200107.4
2S62.8Low73.2Confident61 Ų61111.9 Ų111.943%0.42754%0.538SS..  trans-86.4140.1-172.8-175.60000112.2F4 Y5S2-F4 WeakPolarHBondContact OG-CD2 3.4Å; S2-F4 WeakPolarHBondContact OG-CE2 3.03Å; S2-Y5 WeakPolarHBondContact O-CE1 3.28Å
3T75.9Confident73.3Confident87 Ų87107.7 Ų107.753%0.53452%0.517SS..  trans-95.111.9-173.450.40000114.5Y5 L6T3-Y5 PolarHBondContact O-N 3.22Å; T3-L6 HydrophobicContact CG2-CD1 4.1Å; T3-L6 WeakPolarHBondContact O-CB 3.47Å; T3-L6 PolarHBondContact O-N 2.89Å
4F68.3Low73.4Confident97 Ų97106.3 Ų106.343%0.42553%0.532SS..G310 helixtrans-59.1-23.2-173.5-63.3-55000114.8S2 L6 L7 R12 L16S2-F4 WeakPolarHBondContact OG-CD2 3.4Å; S2-F4 WeakPolarHBondContact OG-CE2 3.03Å; F4-L6 PolarHBondContact O-N 2.9Å; F4-L7 HydrophobicContact CD1-CD1 4.4Å; F4-L7 PolarHBondContact O-N 3.08Å; F4-R12 WeakPolarHBondContact O-CD 3.34Å; F4-L16 HydrophobicContact CB-CD1 4.44Å; F4-L16 HydrophobicContact CD1-CD1 4.4Å; F4-L16 HydrophobicContact CD1-CD2 4.48Å; F4-L16 HydrophobicContact CE1-CD2 4.23Å; F4-L16 HydrophobicContact CG-CD1 4.25Å; F4-L16 HydrophobicContact CZ-CD2 4.28Å
5Y68.5Low73.6Confident162 Ų162106.9 Ų106.964%0.63553%0.533SS*.G310 helixtrans-70.6-15.4177.947.3-100.3000114.4S2 T3 L7S2-Y5 WeakPolarHBondContact O-CE1 3.28Å; T3-Y5 PolarHBondContact O-N 3.22Å; Y5-L7 PolarHBondContact O-N 3.36Å
6L81.5Confident73.6Confident131 Ų131103.6 Ų103.669%0.68652%0.517SS*.G310 helixtrans-74-14.8173.3-78.3133.2000112.8T3 F4T3-L6 HydrophobicContact CG2-CD1 4.1Å; T3-L6 WeakPolarHBondContact O-CB 3.47Å; T3-L6 PolarHBondContact O-N 2.89Å; F4-L6 PolarHBondContact O-N 2.9Å
7L78.8Confident73.2Confident55 Ų55101.5 Ų101.529%0.28853%0.528SS..SBendtrans-88.5142.1-177.1-64.1174.4000111.5F4 Y5 T11 R12 E15F4-L7 HydrophobicContact CD1-CD1 4.4Å; F4-L7 PolarHBondContact O-N 3.08Å; Y5-L7 PolarHBondContact O-N 3.36Å; L7-T11 HydrophobicContact CD2-CG2 4.29Å; L7-R12 HydrophobicContact CB-CG 3.77Å; L7-R12 HydrophobicContact CD1-CG 4.43Å; L7-R12 PolarHBondContact O-NE 3.33Å; L7-R12 PolarHBondContact O-NH2 2.9Å; L7-E15 VanDerWaalsContact CD1-OE2 3.3Å; L7-E15 WeakPolarHBondContact CD1-OE2 3.37Å
8D77.2Confident72.9Confident125 Ų125101.3 Ų101.367%0.66853%0.527SS*.  trans-57152.1171.8-74.3-23.2000111.4R10 T11 R12D8-R10 VanDerWaalsContact C-N 3.29Å; D8-R10 PolarHBondContact O-N 2.72Å; D8-T11 PolarHBondContact O-N 3.4Å; D8-T11 VanDerWaalsContact O-N 3.12Å; D8-R12 PolarHBondContact O-N 3Å
9H72.9Confident72.6Confident48 Ų48103.6 Ų103.622%0.22254%0.54CS..Hα-helixtrans-54-44.4-176.7173.259.9000112.7R12 Q13 G21 P23H9-R12 PolarHBondContact O-N 2.64Å; H9-Q13 PolarHBondContact CE1-NE2 3.29Å; H9-Q13 VanDerWaalsContact NE2-CD 3.25Å; H9-Q13 PolarHBondContact NE2-NE2 3.13Å; H9-Q13 PolarHBondContact NE2-OE1 3.4Å; H9-Q13 WeakPolarHBondContact O-CG 3.1Å; H9-Q13 PolarHBondContact O-N 3.01Å; H9-G21 PolarHBondContact CE1-O 2.73Å; H9-P23 HydrophobicContact CB-CG 4.28Å
10R73.6Confident72.2Confident213 Ų213104.5 Ų104.580%0.80454%0.537SS*.Hα-helixtrans-64.3-42.1179.3-75.1-172.6173.5-177.7-1.5112.2D8 Q13 A14D8-R10 VanDerWaalsContact C-N 3.29Å; D8-R10 PolarHBondContact O-N 2.72Å; R10-Q13 PolarHBondContact O-N 3.05Å; R10-A14 PolarHBondContact O-N 3.03Å; R10-A14 VanDerWaalsContact O-N 3.13Å
11T79.5Confident72.3Confident54 Ų54100.8 Ų100.833%0.33152%0.524SS..Hα-helixtrans-65.5-44.9179.4-46.70000110.6L7 D8 Q13 A14 E15L7-T11 HydrophobicContact CD2-CG2 4.29Å; D8-T11 PolarHBondContact O-N 3.4Å; D8-T11 VanDerWaalsContact O-N 3.12Å; T11-Q13 PolarHBondContact O-N 2.89Å; T11-A14 PolarHBondContact O-N 3.38Å; T11-E15 WeakPolarHBondContact CG2-OE1 3.36Å; T11-E15 WeakPolarHBondContact O-CG 3.39Å; T11-E15 PolarHBondContact O-N 3.19Å
12R79.3Confident73.3Confident76 Ų7692.7 Ų92.729%0.28748%0.484SS..Hα-helixtrans-60.2-41.5174.4-84.9-170.8-86.6173.2-2.3113.8F4 L7 D8 H9 A14 L16F4-R12 WeakPolarHBondContact O-CD 3.34Å; L7-R12 HydrophobicContact CB-CG 3.77Å; L7-R12 HydrophobicContact CD1-CG 4.43Å; L7-R12 PolarHBondContact O-NE 3.33Å; L7-R12 PolarHBondContact O-NH2 2.9Å; D8-R12 PolarHBondContact O-N 3Å; H9-R12 PolarHBondContact O-N 2.64Å; R12-A14 VanDerWaalsContact C-N 3.34Å; R12-L16 HydrophobicContact CG-CD1 4.45Å; R12-L16 WeakPolarHBondContact O-CB 3.48Å; R12-L16 PolarHBondContact O-N 3.21Å
13Q73.9Confident74.3Confident57 Ų5791.9 Ų91.927%0.26648%0.477SS..Hα-helixtrans-63.4-41.5178.7-77.9179.1-47.300111.9H9 R10 T11 G17 N19H9-Q13 PolarHBondContact CE1-NE2 3.29Å; H9-Q13 VanDerWaalsContact NE2-CD 3.25Å; H9-Q13 PolarHBondContact NE2-NE2 3.13Å; H9-Q13 PolarHBondContact NE2-OE1 3.4Å; H9-Q13 WeakPolarHBondContact O-CG 3.1Å; H9-Q13 PolarHBondContact O-N 3.01Å; R10-Q13 PolarHBondContact O-N 3.05Å; T11-Q13 PolarHBondContact O-N 2.89Å; Q13-G17 PolarHBondContact O-N 3.24Å; Q13-N19 PolarHBondContact NE2-OD1 3.25Å
14A75.4Confident74.7Confident88 Ų8894.5 Ų94.573%0.72748%0.477SS*.Hα-helixtrans-67.7-41.2179.200000112.3R10 T11 R12R10-A14 PolarHBondContact O-N 3.03Å; R10-A14 VanDerWaalsContact O-N 3.13Å; T11-A14 PolarHBondContact O-N 3.38Å; R12-A14 VanDerWaalsContact C-N 3.34Å
15E76.1Confident75.6Confident116 Ų11693 Ų9354%0.54248%0.476SS..Hα-helixtrans-80.8-36.2-174.5-69.3177.5-175.300113.6L7 T11L7-E15 VanDerWaalsContact CD1-OE2 3.3Å; L7-E15 WeakPolarHBondContact CD1-OE2 3.37Å; T11-E15 WeakPolarHBondContact CG2-OE1 3.36Å; T11-E15 WeakPolarHBondContact O-CG 3.39Å; T11-E15 PolarHBondContact O-N 3.19Å
16L73.8Confident76.5Confident53 Ų5394 Ų9428%0.27748%0.479SS..Hα-helixtrans-103.4-10-171-60.1173.9000113.6F4 R12 L18 Y20F4-L16 HydrophobicContact CB-CD1 4.44Å; F4-L16 HydrophobicContact CD1-CD1 4.4Å; F4-L16 HydrophobicContact CD1-CD2 4.48Å; F4-L16 HydrophobicContact CE1-CD2 4.23Å; F4-L16 HydrophobicContact CG-CD1 4.25Å; F4-L16 HydrophobicContact CZ-CD2 4.28Å; R12-L16 HydrophobicContact CG-CD1 4.45Å; R12-L16 WeakPolarHBondContact O-CB 3.48Å; R12-L16 PolarHBondContact O-N 3.21Å; L16-L18 HydrophobicContact CB-CD1 4.29Å; L16-L18 PolarHBondContact O-N 3.09Å; L16-Y20 HydrophobicContact CB-CE2 4.46Å; L16-Y20 HydrophobicContact CD1-CE2 4.23Å
17G66.6Low76.5Confident68 Ų6893.2 Ų93.270%0.70147%0.474SS*.  trans61.54.1-179.700000115Q13Q13-G17 PolarHBondContact O-N 3.24Å
18L67.4Low76.6Confident98 Ų9895.6 Ų95.651%0.51350%0.496SS..  trans-92.7113.2-178.4-78149.9000108.2L16 Y20L16-L18 HydrophobicContact CB-CD1 4.29Å; L16-L18 PolarHBondContact O-N 3.09Å; L18-Y20 VanDerWaalsContact C-N 3.28Å; L18-Y20 HydrophobicContact CB-CD2 4.14Å; L18-Y20 HydrophobicContact CB-CE1 4.04Å; L18-Y20 HydrophobicContact CB-CE2 3.51Å; L18-Y20 VanDerWaalsContact CB-CZ 3.45Å; L18-Y20 VanDerWaalsContact CD1-OH 3.28Å; L18-Y20 WeakPolarHBondContact CD1-OH 3.19Å; L18-Y20 WeakPolarHBondContact O-CD2 2.8Å; L18-Y20 WeakPolarHBondContact O-CE2 2.89Å; L18-Y20 PolarHBondContact O-N 2.88Å
19N67.1Low76.8Confident145 Ų14596.9 Ų96.978%0.77550%0.503SS*.  trans-74.483.1175.3-103.4-40.1000109.9Q13 G21Q13-N19 PolarHBondContact NE2-OD1 3.25Å; N19-G21 PolarHBondContact O-N 2.75Å; N19-G21 VanDerWaalsContact O-N 3.08Å
20Y65.5Low77.3Confident122 Ų12299.3 Ų99.348%0.47851%0.514SS..  trans-65.2-8176.8-62.1-74.9000113.6L16 L18L16-Y20 HydrophobicContact CB-CE2 4.46Å; L16-Y20 HydrophobicContact CD1-CE2 4.23Å; L18-Y20 VanDerWaalsContact C-N 3.28Å; L18-Y20 HydrophobicContact CB-CD2 4.14Å; L18-Y20 HydrophobicContact CB-CE1 4.04Å; L18-Y20 HydrophobicContact CB-CE2 3.51Å; L18-Y20 VanDerWaalsContact CB-CZ 3.45Å; L18-Y20 VanDerWaalsContact CD1-OH 3.28Å; L18-Y20 WeakPolarHBondContact CD1-OH 3.19Å; L18-Y20 WeakPolarHBondContact O-CD2 2.8Å; L18-Y20 WeakPolarHBondContact O-CE2 2.89Å; L18-Y20 PolarHBondContact O-N 2.88Å
21G74.1Confident78Confident26 Ų2690.3 Ų90.327%0.26849%0.485SS..  trans69.1174.8-172.100000112H9 N19H9-G21 PolarHBondContact CE1-O 2.73Å; N19-G21 PolarHBondContact O-N 2.75Å; N19-G21 VanDerWaalsContact O-N 3.08Å
22E80.6Confident78.4Confident65 Ų6589.7 Ų89.730%0.30448%0.478SS..SBendtrans-57.9145177.6-69164.8160.300111.4R24 V33 R35E22-R24 WeakPolarHBondContact O-CG 3.25Å; E22-R24 PolarHBondContact O-N 3.23Å; E22-V33 HydrophobicContact CB-CG1 3.46Å; E22-V33 VanDerWaalsContact CB-CG1 3.46Å; E22-V33 HydrophobicContact CG-CG1 4.37Å; E22-V33 WeakPolarHBondContact OE2-CG1 3.15Å; E22-R35 IonicContact OE1-CZ 2.73Å; E22-R35 IonicContact OE1-NH1 3Å; E22-R35 PolarHBondContact OE1-NH1 3.19Å; E22-R35 IonicContact OE2-CZ 3.26Å; E22-R35 IonicContact OE2-NE 3.31Å; E22-R35 PolarHBondContact OE2-NE 2.76Å; E22-R35 IonicContact OE2-NH1 2.62Å; E22-R35 PolarHBondContact OE2-NH1 3.2Å; E22-R35 IonicContact OE2-NH2 3.78Å; E22-R35 PolarHBondContact OE2-NH2 3.02Å
23P84.3Confident78.9Confident44 Ų4486.1 Ų86.129%0.28647%0.465SS..  trans-52.7127.6179.1-23.631.2000111.4H9 V33 F34 W39H9-P23 HydrophobicContact CB-CG 4.28Å; P23-V33 WeakPolarHBondContact O-CA 3.41Å; P23-F34 HydrophobicContact CB-CB 3.91Å; P23-F34 HydrophobicContact CG-CB 4.17Å; P23-F34 HydrophobicContact CG-CD1 4.38Å; P23-F34 PolarHBondContact O-N 3.12Å; P23-W39 HydrophobicContact CB-CH2 4.09Å; P23-W39 VanDerWaalsContact O-CZ3 3.29Å; P23-W39 WeakPolarHBondContact O-CZ3 3.47Å
24R84.6Confident79.4Confident141 Ų14187.1 Ų87.153%0.53247%0.469SS..EExtended strand (participates in β ladder)trans-120.3147179.2-48.2-163.6-174.3165.210.5111E22 F32 V33 E42E22-R24 WeakPolarHBondContact O-CG 3.25Å; E22-R24 PolarHBondContact O-N 3.23Å; R24-F32 CarbonylContact C-O 3.51Å; R24-F32 WeakPolarHBondContact CA-O 3.36Å; R24-V33 HydrophobicContact CG-CG1 4.35Å; R24-V33 HydrophobicContact CG-CG2 4.01Å; R24-E42 IonicContact CZ-OE1 3.28Å; R24-E42 VanDerWaalsContact CZ-OE1 3.28Å; R24-E42 IonicContact NE-OE1 3.56Å; R24-E42 IonicContact NH1-OE1 2.72Å; R24-E42 PolarHBondContact NH1-OE1 3.33Å
25T86.7Confident79.8Confident67 Ų6788.1 Ų88.141%0.41145%0.453SS..EExtended strand (participates in β ladder)trans-140.8156.3172-170.30000109.9A31 F32 W39T25-A31 CarbonylContact O-C 3.56Å; T25-A31 WeakPolarHBondContact O-CA 3.42Å; T25-F32 HydrophobicContact CG2-CB 3.93Å; T25-F32 PolarHBondContact N-O 2.85Å; T25-F32 PolarHBondContact O-N 3.19Å; T25-W39 HydrophobicContact CG2-CD2 4.28Å; T25-W39 HydrophobicContact CG2-CE3 3.77Å; T25-W39 HydrophobicContact CG2-CH2 3.92Å; T25-W39 HydrophobicContact CG2-CZ2 4.42Å; T25-W39 HydrophobicContact CG2-CZ3 3.57Å
26R87.5Confident79.7Confident183 Ų18387 Ų8769%0.69147%0.473SS*.EExtended strand (participates in β ladder)trans-121.1126.8175.3-65.8-178.166.3-162.5-2.1108.2E30 A31R26-E30 WeakPolarHBondContact CA-O 3.33Å; R26-A31 HydrophobicContact CG-CB 4.02Å
27L82.4Confident80.1Confident113 Ų11387.5 Ų87.559%0.59249%0.491SS*.EExtended strand (participates in β ladder)trans-120.2115.2174.3-17565.4000107.7D29 E30 F32L27-D29 PolarHBondContact O-N 2.84Å; L27-E30 PolarHBondContact N-O 2.94Å; L27-E30 PolarHBondContact O-N 2.96Å; L27-F32 HydrophobicContact CB-CD2 4.45Å; L27-F32 HydrophobicContact CB-CE2 4.04Å
28S81Confident80.9Confident105 Ų10590.4 Ų90.473%0.73448%0.481SS*.THydrogen-bonded Turntrans56-120.6-166.7-51.50000110.5
29D81.2Confident81.8Confident153 Ų15390.8 Ų90.882%0.81848%0.476SS*.THydrogen-bonded Turntrans-98.6-0.2-179.2-61.8-44.9000113.7L27L27-D29 PolarHBondContact O-N 2.84Å
30E83.8Confident82.7Confident99 Ų9986.1 Ų86.146%0.46345%0.452SS..EExtended strand (participates in β ladder)trans-102.8128.5-177.7-164.3171.5-165.800111R26 L27 F32 P41R26-E30 WeakPolarHBondContact CA-O 3.33Å; L27-E30 PolarHBondContact N-O 2.94Å; L27-E30 PolarHBondContact O-N 2.96Å; E30-F32 HydrophobicContact CB-CE2 3.88Å; E30-F32 HydrophobicContact CB-CZ 4.17Å; E30-F32 HydrophobicContact CG-CE2 3.92Å; E30-F32 HydrophobicContact CG-CZ 3.86Å; E30-P41 HydrophobicContact CG-CB 4.21Å; E30-P41 WeakPolarHBondContact OE1-CB 3.16Å
31A86.8Confident83.7Confident24 Ų2483.6 Ų83.620%0.19845%0.451CS..EExtended strand (participates in β ladder)trans-91.5143.5174.500000110.2T25 R26 P41 E42T25-A31 CarbonylContact O-C 3.56Å; T25-A31 WeakPolarHBondContact O-CA 3.42Å; R26-A31 HydrophobicContact CG-CB 4.02Å; A31-P41 CarbonylContact O-C 3.48Å; A31-P41 WeakPolarHBondContact O-CA 3.29Å; A31-E42 HydrophobicContact CB-CB 3.83Å; A31-E42 WeakPolarHBondContact CB-OE2 3.44Å; A31-E42 WeakPolarHBondContact O-CB 3.45Å; A31-E42 PolarHBondContact O-N 3.19Å
32F89.1Confident84Confident41 Ų4185.3 Ų85.318%0.1845%0.452CS..EExtended strand (participates in β ladder)trans-128.5143.7179.7-63.4-94.3000110.1R24 T25 L27 E30 W39 T40 P41R24-F32 CarbonylContact C-O 3.51Å; R24-F32 WeakPolarHBondContact CA-O 3.36Å; T25-F32 HydrophobicContact CG2-CB 3.93Å; T25-F32 PolarHBondContact N-O 2.85Å; T25-F32 PolarHBondContact O-N 3.19Å; L27-F32 HydrophobicContact CB-CD2 4.45Å; L27-F32 HydrophobicContact CB-CE2 4.04Å; E30-F32 HydrophobicContact CB-CE2 3.88Å; E30-F32 HydrophobicContact CB-CZ 4.17Å; E30-F32 HydrophobicContact CG-CE2 3.92Å; E30-F32 HydrophobicContact CG-CZ 3.86Å; F32-W39 HydrophobicContact CB-CB 4.46Å; F32-W39 HydrophobicContact CB-CE3 3.87Å; F32-T40 CarbonylContact C-O 3.48Å; F32-T40 VanDerWaalsContact CA-O 3.25Å; F32-T40 WeakPolarHBondContact CA-O 3.3Å; F32-P41 HydrophobicContact CD1-CB 4.1Å; F32-P41 HydrophobicContact CE1-CB 3.94Å
33V89.8Confident83.4Confident1 Ų185.3 Ų85.31%0.00647%0.469CS..EExtended strand (participates in β ladder)trans-122.3135.7176.6-1720000109.5E22 P23 R24 R35 T40 E42E22-V33 HydrophobicContact CB-CG1 3.46Å; E22-V33 VanDerWaalsContact CB-CG1 3.46Å; E22-V33 HydrophobicContact CG-CG1 4.37Å; E22-V33 WeakPolarHBondContact OE2-CG1 3.15Å; P23-V33 WeakPolarHBondContact O-CA 3.41Å; R24-V33 HydrophobicContact CG-CG1 4.35Å; R24-V33 HydrophobicContact CG-CG2 4.01Å; V33-R35 HydrophobicContact CG1-CG 4.16Å; V33-R35 PolarHBondContact O-N 3.45Å; V33-T40 PolarHBondContact N-O 3.48Å; V33-T40 PolarHBondContact O-N 2.97Å; V33-T40 PolarHBondContact O-OG1 2.94Å; V33-E42 HydrophobicContact CG2-CB 3.92Å; V33-E42 HydrophobicContact CG2-CG 3.74Å
34F83.9Confident81.9Confident78 Ų7892.9 Ų92.934%0.34250%0.497SS..EExtended strand (participates in β ladder)trans-83.3110.6177.3-171.7-103.3000110.7P23 G37 R38 W39P23-F34 HydrophobicContact CB-CB 3.91Å; P23-F34 HydrophobicContact CG-CB 4.17Å; P23-F34 HydrophobicContact CG-CD1 4.38Å; P23-F34 PolarHBondContact O-N 3.12Å; F34-G37 WeakPolarHBondContact CE2-O 2.97Å; F34-G37 VanDerWaalsContact CZ-CA 3.41Å; F34-R38 WeakPolarHBondContact CA-O 3.11Å; F34-W39 HydrophobicContact CB-CD2 4.17Å; F34-W39 HydrophobicContact CB-CE3 3.94Å; F34-W39 HydrophobicContact CB-CH2 4.05Å; F34-W39 HydrophobicContact CB-CZ2 4.25Å; F34-W39 HydrophobicContact CB-CZ3 3.88Å; F34-W39 HydrophobicContact CD2-CD2 4.1Å; F34-W39 AromaticContact CD2-CE2 3.91Å; F34-W39 HydrophobicContact CD2-CG 4.29Å; F34-W39 HydrophobicContact CD2-CZ2 4.38Å; F34-W39 AromaticContact CD2-NE1 3.93Å
35R83Confident80.2Confident108 Ų10896.1 Ų96.141%0.40851%0.51SS..EExtended strand (participates in β ladder)trans-131132.8177.9-55.9-171.5-166.9-95.4-10.3109.8E22 V33 G37 R38E22-R35 IonicContact OE1-CZ 2.73Å; E22-R35 IonicContact OE1-NH1 3Å; E22-R35 PolarHBondContact OE1-NH1 3.19Å; E22-R35 IonicContact OE2-CZ 3.26Å; E22-R35 IonicContact OE2-NE 3.31Å; E22-R35 PolarHBondContact OE2-NE 2.76Å; E22-R35 IonicContact OE2-NH1 2.62Å; E22-R35 PolarHBondContact OE2-NH1 3.2Å; E22-R35 IonicContact OE2-NH2 3.78Å; E22-R35 PolarHBondContact OE2-NH2 3.02Å; V33-R35 HydrophobicContact CG1-CG 4.16Å; V33-R35 PolarHBondContact O-N 3.45Å; R35-G37 VanDerWaalsContact C-N 3.27Å; R35-G37 PolarHBondContact O-N 3.26Å; R35-R38 PolarHBondContact N-O 3.28Å; R35-R38 PolarHBondContact O-N 3.05Å; R35-R38 VanDerWaalsContact O-O 3.06Å
36G75.1Confident78.1Confident93 Ų9397.4 Ų97.496%0.95953%0.527SS*.THydrogen-bonded Turntrans5734.5173.100000114.9
37G81.6Confident75.8Confident63 Ų6394.3 Ų94.365%0.64953%0.534SS*.THydrogen-bonded Turntrans85.93.5-179.400000115F34 R35F34-G37 WeakPolarHBondContact CE2-O 2.97Å; F34-G37 VanDerWaalsContact CZ-CA 3.41Å; R35-G37 VanDerWaalsContact C-N 3.27Å; R35-G37 PolarHBondContact O-N 3.26Å
38R83.1Confident74Confident129 Ų12993.1 Ų93.149%0.48754%0.54SS..EExtended strand (participates in β ladder)trans-135.9146.6-174.2-159.8-176.3-161.9-67.4-1.4112.6F34 R35F34-R38 WeakPolarHBondContact CA-O 3.11Å; R35-R38 PolarHBondContact N-O 3.28Å; R35-R38 PolarHBondContact O-N 3.05Å; R35-R38 VanDerWaalsContact O-O 3.06Å
39W87.1Confident72Confident107 Ų10799.5 Ų99.541%0.40555%0.548SS..EExtended strand (participates in β ladder)trans-76.7128.8167.2-66.3100.7000111P23 T25 F32 F34P23-W39 HydrophobicContact CB-CH2 4.09Å; P23-W39 VanDerWaalsContact O-CZ3 3.29Å; P23-W39 WeakPolarHBondContact O-CZ3 3.47Å; T25-W39 HydrophobicContact CG2-CD2 4.28Å; T25-W39 HydrophobicContact CG2-CE3 3.77Å; T25-W39 HydrophobicContact CG2-CH2 3.92Å; T25-W39 HydrophobicContact CG2-CZ2 4.42Å; T25-W39 HydrophobicContact CG2-CZ3 3.57Å; F32-W39 HydrophobicContact CB-CB 4.46Å; F32-W39 HydrophobicContact CB-CE3 3.87Å; F34-W39 HydrophobicContact CB-CD2 4.17Å; F34-W39 HydrophobicContact CB-CE3 3.94Å; F34-W39 HydrophobicContact CB-CH2 4.05Å; F34-W39 HydrophobicContact CB-CZ2 4.25Å; F34-W39 HydrophobicContact CB-CZ3 3.88Å; F34-W39 HydrophobicContact CD2-CD2 4.1Å; F34-W39 AromaticContact CD2-CE2 3.91Å; F34-W39 HydrophobicContact CD2-CG 4.29Å; F34-W39 HydrophobicContact CD2-CZ2 4.38Å; F34-W39 AromaticContact CD2-NE1 3.93Å
40T86.1Confident70.4Confident47 Ų4798.7 Ų98.729%0.28855%0.549SS..EExtended strand (participates in β ladder)trans-125.7134.5178.954.70000109.7F32 V33F32-T40 CarbonylContact C-O 3.48Å; F32-T40 VanDerWaalsContact CA-O 3.25Å; F32-T40 WeakPolarHBondContact CA-O 3.3Å; V33-T40 PolarHBondContact N-O 3.48Å; V33-T40 PolarHBondContact O-N 2.97Å; V33-T40 PolarHBondContact O-OG1 2.94Å
41P86.4Confident68.4Low69 Ų6999.5 Ų99.545%0.44856%0.563SS.*EExtended strand (participates in β ladder)trans-66.6135.6-179.827.2-33.4000111.1E30 A31 F32 G43E30-P41 HydrophobicContact CG-CB 4.21Å; E30-P41 WeakPolarHBondContact OE1-CB 3.16Å; A31-P41 CarbonylContact O-C 3.48Å; A31-P41 WeakPolarHBondContact O-CA 3.29Å; F32-P41 HydrophobicContact CD1-CB 4.1Å; F32-P41 HydrophobicContact CE1-CB 3.94Å; P41-G43 PolarHBondContact O-N 3.06Å
42E80.8Confident66.2Low62 Ų62105.7 Ų105.729%0.2959%0.592SS.*SBendtrans-74.4-1.2-176.3-160.7168.6-169.200112.6R24 A31 V33 K44R24-E42 IonicContact CZ-OE1 3.28Å; R24-E42 VanDerWaalsContact CZ-OE1 3.28Å; R24-E42 IonicContact NE-OE1 3.56Å; R24-E42 IonicContact NH1-OE1 2.72Å; R24-E42 PolarHBondContact NH1-OE1 3.33Å; A31-E42 HydrophobicContact CB-CB 3.83Å; A31-E42 WeakPolarHBondContact CB-OE2 3.44Å; A31-E42 WeakPolarHBondContact O-CB 3.45Å; A31-E42 PolarHBondContact O-N 3.19Å; V33-E42 HydrophobicContact CG2-CB 3.92Å; V33-E42 HydrophobicContact CG2-CG 3.74Å; E42-K44 PolarHBondContact O-N 3.47Å
43G67.8Low64.2Low64 Ų64109.4 Ų109.466%0.6662%0.62SS**  trans-89.117.3-165.700000118.4P41P41-G43 PolarHBondContact O-N 3.06Å
44K53Low61.6Low203 Ų203114.3 Ų114.388%0.88365%0.654SS**  trans-141.585.9171.6-68-169.4-177.4-174.20112.5E42E42-K44 PolarHBondContact O-N 3.47Å
45R48.3Very low59.8Low209 Ų209116 Ų11679%0.78968%0.676SS**  trans-103.586.9153.2-65-170.6-159.6171.17.6108.6
46A41.7Very low57.8Low95 Ų95116.1 Ų116.179%0.78569%0.689SS**  trans-108.5107.2149.700000106.6
47S40.6Very low56.4Low118 Ų118118.8 Ų118.883%0.82568%0.679SS**  trans53.5132.8147.3-147.40000120.7
48A44.4Very low54.6Low88 Ų88119.7 Ų119.773%0.72767%0.674SS**  trans-38.1130.3169.300000115.8
49R38.5Very low53Low238 Ų238117.7 Ų117.790%0.89869%0.685SS**  174.2128.2123.3-98.7174-160.8-165.14.2109.8P51R49-P51 WeakPolarHBondContact O-CD 3.48Å
50T47.2Very low51Low137 Ų137120.4 Ų120.484%0.8470%0.695SS**  trans-51.6132.8157.3-420000109
51P42.2Very low49.3Very low116 Ų116126.3 Ų126.375%0.75372%0.717SS**  -138.7142.2108.820.70000113.8R49R49-P51 WeakPolarHBondContact O-CD 3.48Å
52L39.9Very low47.6Very low154 Ų154128.3 Ų128.381%0.80673%0.73SS**  trans26.3150.3149.2-112.959.2000122.4S54L52-S54 PolarHBondContact O-N 2.89Å; L52-S54 VanDerWaalsContact O-N 3.09Å
53P47.3Very low46.3Very low119 Ų119132.3 Ų132.377%0.77375%0.749SS**  trans-8198.5-169.234.2-26.8000111S55P53-S55 PolarHBondContact O-N 2.92Å
54S35.7Very low45.6Very low104 Ų104134.9 Ų134.973%0.72775%0.751SS**  trans-79.7101.9159.255.10000108.4L52 T56L52-S54 PolarHBondContact O-N 2.89Å; L52-S54 VanDerWaalsContact O-N 3.09Å; S54-T56 VanDerWaalsContact C-N 3.33Å; S54-T56 PolarHBondContact O-N 3.29Å
55S46.4Very low45.7Very low113 Ų113131.1 Ų131.179%0.7974%0.737SS**  trans-5199.2159.2179.10000108.8P53P53-S55 PolarHBondContact O-N 2.92Å
56T40.6Very low46.3Very low111 Ų111124.2 Ų124.268%0.68172%0.719SS**  trans-148.287.3163.1-55.30000104.9S54 P58S54-T56 VanDerWaalsContact C-N 3.33Å; S54-T56 PolarHBondContact O-N 3.29Å; T56-P58 WeakPolarHBondContact O-CD 3.08Å
57I45.9Very low47.3Very low148 Ų148125.6 Ų125.676%0.75971%0.712SS**  trans-59.1111.7165-59168.5000105.5A59I57-A59 PolarHBondContact O-N 3.03Å
58P44.8Very low48.7Very low82 Ų82126.3 Ų126.353%0.53270%0.7SS.*  trans-74122155.66.514.6000104.1T56 W60T56-P58 WeakPolarHBondContact O-CD 3.08Å; P58-W60 VanDerWaalsContact C-N 3.31Å; P58-W60 VanDerWaalsContact CG-NE1 3.31Å; P58-W60 PolarHBondContact O-N 3.39Å; P58-W60 PolarHBondContact O-NE1 3.01Å
59A48.3Very low50.3Low88 Ų88124.9 Ų124.973%0.72769%0.685SS**  trans-64.896.3168.300000107.3I57 K61I57-A59 PolarHBondContact O-N 3.03Å; A59-K61 PolarHBondContact O-N 2.95Å
60W45.1Very low52.6Low164 Ų164118 Ų11862%0.62166%0.663SS**  trans-7398.5178.7-50.3-7.5000106.1P58 P62P58-W60 VanDerWaalsContact C-N 3.31Å; P58-W60 VanDerWaalsContact CG-NE1 3.31Å; P58-W60 PolarHBondContact O-N 3.39Å; P58-W60 PolarHBondContact O-NE1 3.01Å; W60-P62 WeakPolarHBondContact O-CD 3.41Å
61K49.6Very low54.6Low171 Ų171114.6 Ų114.674%0.74364%0.642SS**  trans-52.7120.4178.5-66.8-177.4176.5-174.90109.6A59 Q63A59-K61 PolarHBondContact O-N 2.95Å; K61-Q63 PolarHBondContact O-N 2.91Å
62P51.3Low57Low111 Ų111114.3 Ų114.372%0.72163%0.633SS**  trans-84.368177.534.3-31.6000108.9W60 P66W60-P62 WeakPolarHBondContact O-CD 3.41Å; P62-P66 WeakPolarHBondContact O-CD 3.38Å
63Q54.1Low59.6Low146 Ų146112.2 Ų112.268%0.68262%0.622SS**  trans-106.6-12-173.8-147.3173.8-1.900114.3K61K61-Q63 PolarHBondContact O-N 2.91Å
64V52.2Low61.8Low117 Ų117111.8 Ų111.871%0.70961%0.61SS**SBendtrans-109.7-17180-1710000113.2P66V64-P66 VanDerWaalsContact C-CD 3.48Å
65Q55Low64.6Low124 Ų124112 Ų11258%0.57960%0.599SS**Hα-helixtrans-84.1-25.7175.6-62.5-70.519.700116.8I67 K68 S69Q65-I67 VanDerWaalsContact C-N 3.3Å; Q65-I67 PolarHBondContact O-N 3.41Å; Q65-K68 PolarHBondContact O-N 3.02Å; Q65-S69 PolarHBondContact O-N 3.3Å; Q65-S69 PolarHBondContact O-OG 2.86Å; Q65-S69 VanDerWaalsContact O-OG 3.11Å
66P61Low67Low64 Ų64110.3 Ų110.342%0.41658%0.582SS.*Hα-helixtrans-66.6-32.8-171.222.3-28.6000112.5P62 V64 S69 Q70P62-P66 WeakPolarHBondContact O-CD 3.38Å; V64-P66 VanDerWaalsContact C-CD 3.48Å; P66-S69 VanDerWaalsContact CA-OG 3.28Å; P66-S69 WeakPolarHBondContact CA-OG 3.28Å; P66-S69 PolarHBondContact O-OG 3.11Å; P66-Q70 WeakPolarHBondContact O-CB 3.32Å; P66-Q70 PolarHBondContact O-N 3.16Å
67I63Low69.8Low125 Ų125110.2 Ų110.264%0.64158%0.577SS**Hα-helixtrans-69.5-45.1-180-56.9172.1000110.5Q65 Q70 V71Q65-I67 VanDerWaalsContact C-N 3.3Å; Q65-I67 PolarHBondContact O-N 3.41Å; I67-Q70 PolarHBondContact O-N 3.34Å; I67-V71 WeakPolarHBondContact O-CG2 3.32Å; I67-V71 PolarHBondContact O-N 3.23Å
68K69.8Low72.3Confident133 Ų133109.8 Ų109.858%0.57857%0.567SS**Hα-helixtrans-65.8-39.7177.3-67.5-177.6-179.7-179.90111.6Q65 Q70 L72Q65-K68 PolarHBondContact O-N 3.02Å; K68-Q70 VanDerWaalsContact C-N 3.32Å; K68-L72 VanDerWaalsContact O-CG 3.32Å; K68-L72 WeakPolarHBondContact O-CG 3.3Å; K68-L72 PolarHBondContact O-N 3.01Å; K68-L72 VanDerWaalsContact O-N 3.16Å
69S79.4Confident74.8Confident57 Ų57110.1 Ų110.140%0.39956%0.564SS.*Hα-helixtrans-66.8-34.6174.357.60000112.4Q65 P66 L73Q65-S69 PolarHBondContact O-N 3.3Å; Q65-S69 PolarHBondContact O-OG 2.86Å; Q65-S69 VanDerWaalsContact O-OG 3.11Å; P66-S69 VanDerWaalsContact CA-OG 3.28Å; P66-S69 WeakPolarHBondContact CA-OG 3.28Å; P66-S69 PolarHBondContact O-OG 3.11Å; S69-L73 WeakPolarHBondContact O-CB 3.23Å; S69-L73 VanDerWaalsContact O-CG 3.23Å; S69-L73 WeakPolarHBondContact O-CG 3.47Å; S69-L73 PolarHBondContact O-N 3Å
70Q86.1Confident77.2Confident93 Ų93111.3 Ų111.344%0.43555%0.552SS.*Hα-helixtrans-66.4-46.7177.9-176.760.232.900111.4P66 I67 K68 L72 L73 E74P66-Q70 WeakPolarHBondContact O-CB 3.32Å; P66-Q70 PolarHBondContact O-N 3.16Å; I67-Q70 PolarHBondContact O-N 3.34Å; K68-Q70 VanDerWaalsContact C-N 3.32Å; Q70-L72 VanDerWaalsContact C-N 3.33Å; Q70-L72 PolarHBondContact O-N 3.4Å; Q70-L73 WeakPolarHBondContact O-CB 3.21Å; Q70-L73 PolarHBondContact O-N 3Å; Q70-L73 VanDerWaalsContact O-N 3.13Å; Q70-E74 WeakPolarHBondContact CG-OE1 3.45Å; Q70-E74 PolarHBondContact NE2-OE1 3Å; Q70-E74 WeakPolarHBondContact O-CG 3.49Å; Q70-E74 PolarHBondContact O-N 3.4Å
71V88.8Confident79.7Confident66 Ų66108.3 Ų108.340%0.455%0.548SS..Hα-helixtrans-59.3-44.9176.5173.80000111I67 L73 E74 E75I67-V71 WeakPolarHBondContact O-CG2 3.32Å; I67-V71 PolarHBondContact O-N 3.23Å; V71-L73 VanDerWaalsContact C-N 3.31Å; V71-L73 PolarHBondContact O-N 2.87Å; V71-E74 PolarHBondContact O-N 2.95Å; V71-E75 WeakPolarHBondContact O-CG 3.46Å; V71-E75 PolarHBondContact O-N 3.35Å
72L92.9Very high82.1Confident111 Ų111103.9 Ų103.958%0.58153%0.53SS*.Hα-helixtrans-64.5-33.3177.2-70.4172.4000113K68 Q70 N76K68-L72 VanDerWaalsContact O-CG 3.32Å; K68-L72 WeakPolarHBondContact O-CG 3.3Å; K68-L72 PolarHBondContact O-N 3.01Å; K68-L72 VanDerWaalsContact O-N 3.16Å; Q70-L72 VanDerWaalsContact C-N 3.33Å; Q70-L72 PolarHBondContact O-N 3.4Å; L72-N76 WeakPolarHBondContact O-CB 3.35Å; L72-N76 PolarHBondContact O-N 2.88Å
73L93.6Very high84.3Confident109 Ų109104.7 Ų104.757%0.57152%0.524SS*.Hα-helixtrans-69.6-39.9175.2-75.9170.1000111.8S69 Q70 V71 N76 N77S69-L73 WeakPolarHBondContact O-CB 3.23Å; S69-L73 VanDerWaalsContact O-CG 3.23Å; S69-L73 WeakPolarHBondContact O-CG 3.47Å; S69-L73 PolarHBondContact O-N 3Å; Q70-L73 WeakPolarHBondContact O-CB 3.21Å; Q70-L73 PolarHBondContact O-N 3Å; Q70-L73 VanDerWaalsContact O-N 3.13Å; V71-L73 VanDerWaalsContact C-N 3.31Å; V71-L73 PolarHBondContact O-N 2.87Å; L73-N76 PolarHBondContact O-N 3.23Å; L73-N77 WeakPolarHBondContact O-CB 3.48Å; L73-N77 PolarHBondContact O-N 3.38Å
74E94Very high86.4Confident111 Ų111103.4 Ų103.452%0.51952%0.518SS..Hα-helixtrans-66.2-44.8176.3-73.2171.1-166.400111.5Q70 V71 N76 N77 Y78Q70-E74 WeakPolarHBondContact CG-OE1 3.45Å; Q70-E74 PolarHBondContact NE2-OE1 3Å; Q70-E74 WeakPolarHBondContact O-CG 3.49Å; Q70-E74 PolarHBondContact O-N 3.4Å; V71-E74 PolarHBondContact O-N 2.95Å; E74-N76 VanDerWaalsContact C-N 3.32Å; E74-N76 PolarHBondContact O-N 3.25Å; E74-N77 PolarHBondContact O-N 3.44Å; E74-Y78 WeakPolarHBondContact O-CB 3.41Å; E74-Y78 PolarHBondContact O-N 3.38Å
75E95.4Very high88.6Confident107 Ų107102.8 Ų102.850%0.551%0.51SS..Hα-helixtrans-59.1-43.8172.7-72.7179.1177.400111.4V71 N77 Y78 L79V71-E75 WeakPolarHBondContact O-CG 3.46Å; V71-E75 PolarHBondContact O-N 3.35Å; E75-N77 VanDerWaalsContact C-N 3.33Å; E75-N77 PolarHBondContact O-N 3.44Å; E75-Y78 PolarHBondContact O-N 2.93Å; E75-L79 WeakPolarHBondContact O-CB 3.48Å; E75-L79 VanDerWaalsContact O-CG 3.3Å; E75-L79 WeakPolarHBondContact O-CG 3.36Å; E75-L79 PolarHBondContact O-N 3.16Å
76N96.9Very high90.7Very high78 Ų78102.3 Ų102.342%0.41751%0.511SS..Hα-helixtrans-62.7-40.5177.3-169.7-99000112.3L72 L73 E74 K80L72-N76 WeakPolarHBondContact O-CB 3.35Å; L72-N76 PolarHBondContact O-N 2.88Å; L73-N76 PolarHBondContact O-N 3.23Å; E74-N76 VanDerWaalsContact C-N 3.32Å; E74-N76 PolarHBondContact O-N 3.25Å; N76-K80 WeakPolarHBondContact O-CG 3.44Å; N76-K80 PolarHBondContact O-N 2.69Å; N76-K80 VanDerWaalsContact O-N 3.09Å; N76-K80 WeakPolarHBondContact OD1-CE 3.48Å; N76-K80 PolarHBondContact OD1-NZ 2.96Å
77N97.7Very high92.5Very high109 Ų109104.5 Ų104.558%0.58352%0.517SS*.Hα-helixtrans-65-47.1176.6-170.1-56.4000110.9L73 E74 E75 L79 K80 L81L73-N77 WeakPolarHBondContact O-CB 3.48Å; L73-N77 PolarHBondContact O-N 3.38Å; E74-N77 PolarHBondContact O-N 3.44Å; E75-N77 VanDerWaalsContact C-N 3.33Å; E75-N77 PolarHBondContact O-N 3.44Å; N77-L79 VanDerWaalsContact C-N 3.35Å; N77-L79 PolarHBondContact O-N 2.94Å; N77-K80 WeakPolarHBondContact O-CB 3.18Å; N77-K80 PolarHBondContact O-N 2.92Å; N77-K80 VanDerWaalsContact O-N 3.16Å; N77-L81 PolarHBondContact O-N 3.46Å
78Y98.4Very high94.2Very high139 Ų139103.5 Ų103.555%0.54551%0.513SS..Hα-helixtrans-57.8-46.3177.5-178.9-102.5000112.1E74 E75 K80 L81 Q82E74-Y78 WeakPolarHBondContact O-CB 3.41Å; E74-Y78 PolarHBondContact O-N 3.38Å; E75-Y78 PolarHBondContact O-N 2.93Å; Y78-K80 VanDerWaalsContact C-N 3.34Å; Y78-K80 PolarHBondContact O-N 3.13Å; Y78-L81 PolarHBondContact O-N 3.09Å; Y78-Q82 HydrophobicContact CD1-CG 4.3Å; Y78-Q82 HydrophobicContact CE1-CG 3.9Å; Y78-Q82 VanDerWaalsContact CE1-NE2 3.27Å; Y78-Q82 HydrophobicContact CE2-CG 4.49Å; Y78-Q82 WeakPolarHBondContact O-CG 3.3Å; Y78-Q82 PolarHBondContact O-N 3.49Å; Y78-Q82 PolarHBondContact OH-NE2 3.27Å; Y78-Q82 VanDerWaalsContact OH-NE2 3.14Å
79L98.6Very high95.6Very high90 Ų90102 Ų10247%0.47151%0.51SS..Hα-helixtrans-62.9-39177.5-71.9171.4000112.5E75 N77 Q82 Q83E75-L79 WeakPolarHBondContact O-CB 3.48Å; E75-L79 VanDerWaalsContact O-CG 3.3Å; E75-L79 WeakPolarHBondContact O-CG 3.36Å; E75-L79 PolarHBondContact O-N 3.16Å; N77-L79 VanDerWaalsContact C-N 3.35Å; N77-L79 PolarHBondContact O-N 2.94Å; L79-Q82 PolarHBondContact O-N 2.84Å; L79-Q83 WeakPolarHBondContact O-CG 3.42Å; L79-Q83 PolarHBondContact O-N 3.14Å
80K98.3Very high96.5Very high112 Ų112104 Ų10449%0.48752%0.515SS..Hα-helixtrans-62.4-46.5174.8-78.9170171.91620111.4N76 N77 Y78 Q82 Q83 E84N76-K80 WeakPolarHBondContact O-CG 3.44Å; N76-K80 PolarHBondContact O-N 2.69Å; N76-K80 VanDerWaalsContact O-N 3.09Å; N76-K80 WeakPolarHBondContact OD1-CE 3.48Å; N76-K80 PolarHBondContact OD1-NZ 2.96Å; N77-K80 WeakPolarHBondContact O-CB 3.18Å; N77-K80 PolarHBondContact O-N 2.92Å; N77-K80 VanDerWaalsContact O-N 3.16Å; Y78-K80 VanDerWaalsContact C-N 3.34Å; Y78-K80 PolarHBondContact O-N 3.13Å; K80-Q82 VanDerWaalsContact C-N 3.32Å; K80-Q82 PolarHBondContact O-N 2.92Å; K80-Q83 WeakPolarHBondContact O-CB 3.39Å; K80-Q83 PolarHBondContact O-N 3.39Å; K80-Q83 VanDerWaalsContact O-N 3.13Å; K80-E84 WeakPolarHBondContact O-CG 3.29Å; K80-E84 PolarHBondContact O-N 2.99Å
81L98.6Very high97.1Very high102 Ų102103.2 Ų103.253%0.53452%0.517SS..Hα-helixtrans-61.6-40.8177.7-173.269.9000111.8N77 Y78 Q83 E84 L85N77-L81 PolarHBondContact O-N 3.46Å; Y78-L81 PolarHBondContact O-N 3.09Å; L81-Q83 VanDerWaalsContact C-N 3.33Å; L81-Q83 PolarHBondContact O-N 3.01Å; L81-E84 PolarHBondContact O-N 3.18Å; L81-L85 WeakPolarHBondContact O-CB 3.45Å; L81-L85 PolarHBondContact O-N 3.47Å
82Q98.5Very high97.5Very high77 Ų77104.7 Ų104.736%0.3652%0.519SS..Hα-helixtrans-61.5-41.1174.3-74.8-173.6-48.300112.2Y78 L79 K80 L86Y78-Q82 HydrophobicContact CD1-CG 4.3Å; Y78-Q82 HydrophobicContact CE1-CG 3.9Å; Y78-Q82 VanDerWaalsContact CE1-NE2 3.27Å; Y78-Q82 HydrophobicContact CE2-CG 4.49Å; Y78-Q82 WeakPolarHBondContact O-CG 3.3Å; Y78-Q82 PolarHBondContact O-N 3.49Å; Y78-Q82 PolarHBondContact OH-NE2 3.27Å; Y78-Q82 VanDerWaalsContact OH-NE2 3.14Å; L79-Q82 PolarHBondContact O-N 2.84Å; K80-Q82 VanDerWaalsContact C-N 3.32Å; K80-Q82 PolarHBondContact O-N 2.92Å; Q82-L86 WeakPolarHBondContact O-CB 3.47Å; Q82-L86 VanDerWaalsContact O-CG 3.3Å; Q82-L86 WeakPolarHBondContact O-CG 3.47Å; Q82-L86 PolarHBondContact O-N 3.41Å
83Q98.1Very high97.8Very high128 Ų128103 Ų10360%0.59851%0.514SS*.Hα-helixtrans-66-45177.1-73.7175.56.300111.8L79 K80 L81 L85 L86 M87L79-Q83 WeakPolarHBondContact O-CG 3.42Å; L79-Q83 PolarHBondContact O-N 3.14Å; K80-Q83 WeakPolarHBondContact O-CB 3.39Å; K80-Q83 PolarHBondContact O-N 3.39Å; K80-Q83 VanDerWaalsContact O-N 3.13Å; L81-Q83 VanDerWaalsContact C-N 3.33Å; L81-Q83 PolarHBondContact O-N 3.01Å; Q83-L85 PolarHBondContact O-N 3.49Å; Q83-L86 PolarHBondContact O-N 2.94Å; Q83-M87 VanDerWaalsContact O-CG 3.29Å; Q83-M87 WeakPolarHBondContact O-CG 3.3Å; Q83-M87 PolarHBondContact O-N 2.84Å
84E98.4Very high98Very high119 Ų119100.2 Ų100.256%0.55650%0.501SS*.Hα-helixtrans-57.8-48.9176.3-73.2174.2-175.600111.1K80 L81 L86 M87 D88K80-E84 WeakPolarHBondContact O-CG 3.29Å; K80-E84 PolarHBondContact O-N 2.99Å; L81-E84 PolarHBondContact O-N 3.18Å; E84-L86 PolarHBondContact O-N 3.41Å; E84-M87 PolarHBondContact O-N 2.93Å; E84-D88 PolarHBondContact O-N 2.98Å
85L98.6Very high98.2Very high104 Ų10497.2 Ų97.255%0.54550%0.496SS..Hα-helixtrans-59.4-44.6176.8178.364000112.3L81 Q83 M87 D88 M89L81-L85 WeakPolarHBondContact O-CB 3.45Å; L81-L85 PolarHBondContact O-N 3.47Å; Q83-L85 PolarHBondContact O-N 3.49Å; L85-M87 VanDerWaalsContact C-N 3.31Å; L85-M87 PolarHBondContact O-N 2.9Å; L85-D88 PolarHBondContact O-N 3.13Å; L85-M89 HydrophobicContact CD1-CG 4.32Å; L85-M89 HydrophobicContact CD1-SD 4.38Å; L85-M89 HydrophobicContact CG-SD 4.2Å; L85-M89 WeakPolarHBondContact O-CB 3.45Å; L85-M89 VanDerWaalsContact O-CG 3.3Å; L85-M89 WeakPolarHBondContact O-CG 3.27Å; L85-M89 PolarHBondContact O-N 3.29Å
86L98.8Very high98.3Very high114 Ų11499 Ų9960%0.59750%0.498SS*.Hα-helixtrans-63.8-38178.5-77.8170.8000111.9Q82 Q83 E84 M89 L90Q82-L86 WeakPolarHBondContact O-CB 3.47Å; Q82-L86 VanDerWaalsContact O-CG 3.3Å; Q82-L86 WeakPolarHBondContact O-CG 3.47Å; Q82-L86 PolarHBondContact O-N 3.41Å; Q83-L86 PolarHBondContact O-N 2.94Å; E84-L86 PolarHBondContact O-N 3.41Å; L86-M89 PolarHBondContact O-N 3.27Å; L86-L90 VanDerWaalsContact O-CB 3.3Å; L86-L90 WeakPolarHBondContact O-CB 3.4Å; L86-L90 PolarHBondContact O-N 3.44Å
87M98.8Very high98.3Very high110 Ų11099.9 Ų99.954%0.54250%0.5SS..Hα-helixtrans-66.2-42.1175.2-71-55.1-56.600111.7Q83 E84 L85 L90 T91Q83-M87 VanDerWaalsContact O-CG 3.29Å; Q83-M87 WeakPolarHBondContact O-CG 3.3Å; Q83-M87 PolarHBondContact O-N 2.84Å; E84-M87 PolarHBondContact O-N 2.93Å; L85-M87 VanDerWaalsContact C-N 3.31Å; L85-M87 PolarHBondContact O-N 2.9Å; M87-L90 PolarHBondContact O-N 2.86Å; M87-T91 WeakPolarHBondContact O-CB 3.27Å; M87-T91 VanDerWaalsContact O-CG2 3.27Å; M87-T91 WeakPolarHBondContact O-CG2 3.44Å; M87-T91 PolarHBondContact O-N 3.33Å; M87-T91 PolarHBondContact O-OG1 2.96Å
88D98.6Very high98.2Very high105 Ų10599 Ų9956%0.56149%0.493SS*.Hα-helixtrans-62.7-44.2175.5-73.7-10.8000111.4E84 L85 L90 T91 E92E84-D88 PolarHBondContact O-N 2.98Å; L85-D88 PolarHBondContact O-N 3.13Å; D88-L90 PolarHBondContact O-N 3.03Å; D88-T91 WeakPolarHBondContact CA-OG1 3.28Å; D88-T91 PolarHBondContact O-N 2.91Å; D88-T91 PolarHBondContact O-OG1 3.46Å; D88-E92 WeakPolarHBondContact O-CB 3.45Å; D88-E92 PolarHBondContact O-N 3.48Å
89M98.8Very high98Very high102 Ų10297.3 Ų97.350%0.50249%0.493SS..Hα-helixtrans-64.2-40.8176.5-70.9-178.270.700112.2L85 L86 T93L85-M89 HydrophobicContact CD1-CG 4.32Å; L85-M89 HydrophobicContact CD1-SD 4.38Å; L85-M89 HydrophobicContact CG-SD 4.2Å; L85-M89 WeakPolarHBondContact O-CB 3.45Å; L85-M89 VanDerWaalsContact O-CG 3.3Å; L85-M89 WeakPolarHBondContact O-CG 3.27Å; L85-M89 PolarHBondContact O-N 3.29Å; L86-M89 PolarHBondContact O-N 3.27Å; M89-T93 WeakPolarHBondContact O-CB 3.41Å; M89-T93 VanDerWaalsContact O-CG2 3.27Å; M89-T93 WeakPolarHBondContact O-CG2 3.5Å; M89-T93 PolarHBondContact O-N 3.42Å; M89-T93 PolarHBondContact O-OG1 2.96Å
90L98.6Very high97.8Very high99 Ų9998 Ų9852%0.51850%0.496SS..Hα-helixtrans-67.1-42.2178.1-172.6146.4000111.4L86 M87 D88 T93 T94L86-L90 VanDerWaalsContact O-CB 3.3Å; L86-L90 WeakPolarHBondContact O-CB 3.4Å; L86-L90 PolarHBondContact O-N 3.44Å; M87-L90 PolarHBondContact O-N 2.86Å; D88-L90 PolarHBondContact O-N 3.03Å; L90-T93 WeakPolarHBondContact CA-OG1 3.43Å; L90-T93 PolarHBondContact O-OG1 2.81Å; L90-T94 VanDerWaalsContact O-CB 3.28Å; L90-T94 WeakPolarHBondContact O-CB 3.33Å; L90-T94 PolarHBondContact O-N 3.37Å; L90-T94 PolarHBondContact O-OG1 2.88Å
91T98.4Very high97.5Very high75 Ų7597.2 Ų97.246%0.4649%0.494SS..Hα-helixtrans-66.9-42177.353.40000111.4M87 D88 T94 A95M87-T91 WeakPolarHBondContact O-CB 3.27Å; M87-T91 VanDerWaalsContact O-CG2 3.27Å; M87-T91 WeakPolarHBondContact O-CG2 3.44Å; M87-T91 PolarHBondContact O-N 3.33Å; M87-T91 PolarHBondContact O-OG1 2.96Å; D88-T91 WeakPolarHBondContact CA-OG1 3.28Å; D88-T91 PolarHBondContact O-N 2.91Å; D88-T91 PolarHBondContact O-OG1 3.46Å; T91-T94 PolarHBondContact O-N 2.94Å; T91-A95 WeakPolarHBondContact O-CB 3.35Å; T91-A95 PolarHBondContact O-N 3.47Å
92E98.1Very high97.1Very high97 Ų9798.7 Ų98.745%0.45350%0.497SS..Hα-helixtrans-62.3-48.4175.6-177.5177.1-15900112.1D88 T94 A95 R96D88-E92 WeakPolarHBondContact O-CB 3.45Å; D88-E92 PolarHBondContact O-N 3.48Å; E92-T94 VanDerWaalsContact C-N 3.3Å; E92-T94 PolarHBondContact O-N 2.88Å; E92-A95 PolarHBondContact O-N 2.95Å; E92-R96 VanDerWaalsContact CD-NH2 3.33Å; E92-R96 WeakPolarHBondContact O-CG 3.38Å; E92-R96 PolarHBondContact O-N 3.35Å; E92-R96 IonicContact OE1-CZ 2.64Å; E92-R96 VanDerWaalsContact OE1-CZ 3.26Å; E92-R96 IonicContact OE1-NE 2.9Å; E92-R96 PolarHBondContact OE1-NE 2.89Å; E92-R96 IonicContact OE1-NH2 3.65Å; E92-R96 PolarHBondContact OE1-NH2 2.91Å; E92-R96 IonicContact OE2-NH2 3.33Å
93T98.1Very high96.5Very high77 Ų77101.4 Ų101.447%0.47251%0.507SS..Hα-helixtrans-62.4-39.5178.349.90000111.7M89 L90 R96 M97M89-T93 WeakPolarHBondContact O-CB 3.41Å; M89-T93 VanDerWaalsContact O-CG2 3.27Å; M89-T93 WeakPolarHBondContact O-CG2 3.5Å; M89-T93 PolarHBondContact O-N 3.42Å; M89-T93 PolarHBondContact O-OG1 2.96Å; L90-T93 WeakPolarHBondContact CA-OG1 3.43Å; L90-T93 PolarHBondContact O-OG1 2.81Å; T93-R96 PolarHBondContact O-N 3.39Å; T93-M97 WeakPolarHBondContact O-CB 3.32Å; T93-M97 PolarHBondContact O-N 3.31Å
94T98.1Very high96Very high49 Ų4999.1 Ų99.130%0.30150%0.501SS..Hα-helixtrans-63.1-44.2174.6-57.80000111.4L90 T91 E92 R96 M97 Q98L90-T94 VanDerWaalsContact O-CB 3.28Å; L90-T94 WeakPolarHBondContact O-CB 3.33Å; L90-T94 PolarHBondContact O-N 3.37Å; L90-T94 PolarHBondContact O-OG1 2.88Å; T91-T94 PolarHBondContact O-N 2.94Å; E92-T94 VanDerWaalsContact C-N 3.3Å; E92-T94 PolarHBondContact O-N 2.88Å; T94-R96 PolarHBondContact O-N 3.4Å; T94-M97 PolarHBondContact O-N 2.91Å; T94-Q98 WeakPolarHBondContact O-CG 3.3Å; T94-Q98 PolarHBondContact O-N 3.16Å
95A97.9Very high95.1Very high49 Ų4998.5 Ų98.541%0.40550%0.502SS..Hα-helixtrans-62.8-42.3177.100000111.9T91 E92 Q98 L99T91-A95 WeakPolarHBondContact O-CB 3.35Å; T91-A95 PolarHBondContact O-N 3.47Å; E92-A95 PolarHBondContact O-N 2.95Å; A95-Q98 PolarHBondContact O-N 3.46Å; A95-L99 WeakPolarHBondContact O-CG 3.45Å; A95-L99 PolarHBondContact O-N 3.33Å
96R97.5Very high94Very high144 Ų14496.3 Ų96.354%0.54350%0.499SS..Hα-helixtrans-62.4-44.7175.5-70.5173.5-178.7-168.41.4111.7E92 T93 T94 L99 L100E92-R96 VanDerWaalsContact CD-NH2 3.33Å; E92-R96 WeakPolarHBondContact O-CG 3.38Å; E92-R96 PolarHBondContact O-N 3.35Å; E92-R96 IonicContact OE1-CZ 2.64Å; E92-R96 VanDerWaalsContact OE1-CZ 3.26Å; E92-R96 IonicContact OE1-NE 2.9Å; E92-R96 PolarHBondContact OE1-NE 2.89Å; E92-R96 IonicContact OE1-NH2 3.65Å; E92-R96 PolarHBondContact OE1-NH2 2.91Å; E92-R96 IonicContact OE2-NH2 3.33Å; T93-R96 PolarHBondContact O-N 3.39Å; T94-R96 PolarHBondContact O-N 3.4Å; R96-L99 PolarHBondContact O-N 2.95Å; R96-L100 WeakPolarHBondContact O-CG 3.44Å; R96-L100 PolarHBondContact O-N 3.46Å
97M97.2Very high92.8Very high96 Ų9697.2 Ų97.247%0.47351%0.505SS..Hα-helixtrans-59.1-49.6176.7-176.6-175.576.400111.2T93 T94 L99 L100 E101T93-M97 WeakPolarHBondContact O-CB 3.32Å; T93-M97 PolarHBondContact O-N 3.31Å; T94-M97 PolarHBondContact O-N 2.91Å; M97-L99 VanDerWaalsContact C-N 3.28Å; M97-L99 PolarHBondContact O-N 2.93Å; M97-L100 WeakPolarHBondContact O-CB 3.47Å; M97-L100 PolarHBondContact O-N 3.01Å; M97-E101 HydrophobicContact CG-CG 4.49Å; M97-E101 WeakPolarHBondContact O-CG 3.35Å; M97-E101 PolarHBondContact O-N 2.62Å
98Q96Very high91.5Very high91 Ų9198 Ų9843%0.42551%0.511SS..Hα-helixtrans-61.7-34.1178.3-71.5177.3-3.400113.1T94 A95 K102T94-Q98 WeakPolarHBondContact O-CG 3.3Å; T94-Q98 PolarHBondContact O-N 3.16Å; A95-Q98 PolarHBondContact O-N 3.46Å; Q98-K102 VanDerWaalsContact O-CG 3.25Å; Q98-K102 WeakPolarHBondContact O-CG 3.38Å; Q98-K102 PolarHBondContact O-N 3.16Å; Q98-K102 VanDerWaalsContact O-N 3.12Å
99L94.8Very high89.8Confident104 Ų10497.3 Ų97.355%0.54551%0.507SS..Hα-helixtrans-67.8-36.9173.8-75174.6000112.1A95 R96 M97 K103A95-L99 WeakPolarHBondContact O-CG 3.45Å; A95-L99 PolarHBondContact O-N 3.33Å; R96-L99 PolarHBondContact O-N 2.95Å; M97-L99 VanDerWaalsContact C-N 3.28Å; M97-L99 PolarHBondContact O-N 2.93Å; L99-K103 WeakPolarHBondContact O-CG 3.41Å; L99-K103 PolarHBondContact O-N 3.45Å
100L94.4Very high87.9Confident104 Ų10497.4 Ų97.455%0.54552%0.515SS..Hα-helixtrans-70.5-44.2175.5-69173.5000111.5R96 M97 K102 K103 V104R96-L100 WeakPolarHBondContact O-CG 3.44Å; R96-L100 PolarHBondContact O-N 3.46Å; M97-L100 WeakPolarHBondContact O-CB 3.47Å; M97-L100 PolarHBondContact O-N 3.01Å; L100-K102 VanDerWaalsContact C-N 3.33Å; L100-K102 PolarHBondContact O-N 2.85Å; L100-K103 PolarHBondContact O-N 3.38Å; L100-K103 VanDerWaalsContact O-N 3.09Å; L100-V104 WeakPolarHBondContact O-CG2 3.35Å; L100-V104 PolarHBondContact O-N 3.22Å
101E91.4Very high86Confident95 Ų9594.8 Ų94.844%0.44451%0.508SS..Hα-helixtrans-53.5-49.9174.4-72.4172.3168.800110.9M97 K103 V104 D105M97-E101 HydrophobicContact CG-CG 4.49Å; M97-E101 WeakPolarHBondContact O-CG 3.35Å; M97-E101 PolarHBondContact O-N 2.62Å; E101-K103 VanDerWaalsContact C-N 3.3Å; E101-K103 PolarHBondContact O-N 3.07Å; E101-V104 PolarHBondContact O-N 2.93Å; E101-D105 WeakPolarHBondContact O-CB 3.37Å; E101-D105 VanDerWaalsContact O-CG 3.24Å; E101-D105 PolarHBondContact O-N 3.09Å
102K89.6Confident84Confident134 Ų13494 Ų9458%0.58351%0.509SS*.Hα-helixtrans-59.4-36.8176.9-72.9170.5-176.7173.70113.8Q98 L100 A106Q98-K102 VanDerWaalsContact O-CG 3.25Å; Q98-K102 WeakPolarHBondContact O-CG 3.38Å; Q98-K102 PolarHBondContact O-N 3.16Å; Q98-K102 VanDerWaalsContact O-N 3.12Å; L100-K102 VanDerWaalsContact C-N 3.33Å; L100-K102 PolarHBondContact O-N 2.85Å; K102-A106 WeakPolarHBondContact O-CB 3.45Å; K102-A106 PolarHBondContact O-N 3.4Å
103K86.5Confident81.9Confident134 Ų13493.2 Ų93.258%0.58351%0.513SS*.Hα-helixtrans-69.8-45.9177.4-74.5175.6-179.4-175.20111L99 L100 E101 D105 A106 D107L99-K103 WeakPolarHBondContact O-CG 3.41Å; L99-K103 PolarHBondContact O-N 3.45Å; L100-K103 PolarHBondContact O-N 3.38Å; L100-K103 VanDerWaalsContact O-N 3.09Å; E101-K103 VanDerWaalsContact C-N 3.3Å; E101-K103 PolarHBondContact O-N 3.07Å; K103-D105 VanDerWaalsContact C-N 3.32Å; K103-D105 PolarHBondContact O-N 3.25Å; K103-A106 WeakPolarHBondContact O-CB 3.33Å; K103-A106 PolarHBondContact O-N 3.12Å; K103-A106 VanDerWaalsContact O-N 3.16Å; K103-D107 PolarHBondContact O-N 3.29Å
104V87.2Confident79.8Confident79 Ų7992.8 Ų92.848%0.47952%0.517SS..Hα-helixtrans-60.7-42.3176172.20000110.8L100 E101 A106 D107 N108L100-V104 WeakPolarHBondContact O-CG2 3.35Å; L100-V104 PolarHBondContact O-N 3.22Å; E101-V104 PolarHBondContact O-N 2.93Å; V104-A106 VanDerWaalsContact C-N 3.33Å; V104-A106 PolarHBondContact O-N 3.07Å; V104-D107 PolarHBondContact O-N 3.29Å; V104-N108 VanDerWaalsContact CG1-ND2 3.32Å; V104-N108 WeakPolarHBondContact CG1-ND2 3.49Å; V104-N108 WeakPolarHBondContact O-CB 3.25Å; V104-N108 VanDerWaalsContact O-CG 3.29Å; V104-N108 PolarHBondContact O-N 3.06Å; V104-N108 PolarHBondContact O-ND2 3.31Å
105D79Confident77.8Confident107 Ų107100.1 Ų100.157%0.57254%0.539SS*.Hα-helixtrans-63.9-36.6175.5-70.2-27.8000112.7E101 K103 N109E101-D105 WeakPolarHBondContact O-CB 3.37Å; E101-D105 VanDerWaalsContact O-CG 3.24Å; E101-D105 PolarHBondContact O-N 3.09Å; K103-D105 VanDerWaalsContact C-N 3.32Å; K103-D105 PolarHBondContact O-N 3.25Å; D105-N109 PolarHBondContact O-N 2.93Å; D105-N109 VanDerWaalsContact O-N 3.16Å
106A77.3Confident75.8Confident58 Ų58101.8 Ų101.848%0.47955%0.547SS..Hα-helixtrans-69.3-40.9176.400000112.3K102 K103 V104 N109K102-A106 WeakPolarHBondContact O-CB 3.45Å; K102-A106 PolarHBondContact O-N 3.4Å; K103-A106 WeakPolarHBondContact O-CB 3.33Å; K103-A106 PolarHBondContact O-N 3.12Å; K103-A106 VanDerWaalsContact O-N 3.16Å; V104-A106 VanDerWaalsContact C-N 3.33Å; V104-A106 PolarHBondContact O-N 3.07Å; A106-N109 CarbonylContact O-C 3.25Å; A106-N109 VanDerWaalsContact O-C 3.25Å; A106-N109 PolarHBondContact O-N 3.23Å
107D72.9Confident73.6Confident133 Ų133105.6 Ų105.671%0.71156%0.562SS**Hα-helixtrans-69.6-35.8177.5-71.2-23000111.9K103 V104 N109K103-D107 PolarHBondContact O-N 3.29Å; V104-D107 PolarHBondContact O-N 3.29Å; D107-N109 VanDerWaalsContact C-N 3.29Å; D107-N109 PolarHBondContact O-N 3.44Å
108N72.3Confident71.6Confident127 Ų127109.9 Ų109.968%0.67958%0.578SS**Hα-helixtrans-75.4-14.7175.5-72.3-40.7000113.6V104V104-N108 VanDerWaalsContact CG1-ND2 3.32Å; V104-N108 WeakPolarHBondContact CG1-ND2 3.49Å; V104-N108 WeakPolarHBondContact O-CB 3.25Å; V104-N108 VanDerWaalsContact O-CG 3.29Å; V104-N108 PolarHBondContact O-N 3.06Å; V104-N108 PolarHBondContact O-ND2 3.31Å
109N61.4Low70Confident89 Ų89116.3 Ų116.348%0.47660%0.599SS.*  trans-13474.8177-171.84.8000112.1D105 A106 D107 A111 A112D105-N109 PolarHBondContact O-N 2.93Å; D105-N109 VanDerWaalsContact O-N 3.16Å; A106-N109 CarbonylContact O-C 3.25Å; A106-N109 VanDerWaalsContact O-C 3.25Å; A106-N109 PolarHBondContact O-N 3.23Å; D107-N109 VanDerWaalsContact C-N 3.29Å; D107-N109 PolarHBondContact O-N 3.44Å; N109-A111 PolarHBondContact O-N 3.39Å; N109-A111 PolarHBondContact OD1-N 2.94Å; N109-A112 PolarHBondContact O-N 2.94Å
110P59.8Low68.5Low104 Ų104120.6 Ų120.668%0.67561%0.613SS**THydrogen-bonded Turntrans-65.6-3.4179.627.4-35.4000113.9
111A57.7Low66.8Low44 Ų44123.9 Ų123.936%0.36463%0.627SS.*THydrogen-bonded Turntrans-87.2-8.7-178.200000114.6N109N109-A111 PolarHBondContact O-N 3.39Å; N109-A111 PolarHBondContact OD1-N 2.94Å
112A56Low65Low59 Ų59125 Ų12549%0.48864%0.643SS.*Hα-helixtrans-65.9-46.8-18000000114.6N109 A114 R115N109-A112 PolarHBondContact O-N 2.94Å; A112-A114 VanDerWaalsContact C-N 3.26Å; A112-A114 PolarHBondContact O-N 3.31Å; A112-R115 PolarHBondContact O-N 3.33Å
113P55.2Low63.5Low81 Ų81127.3 Ų127.353%0.52665%0.653SS.*Hα-helixtrans-68-25.1177.826.2-33.7000112.5R115 S116 W117P113-R115 VanDerWaalsContact C-N 3.25Å; P113-R115 PolarHBondContact O-N 3.09Å; P113-S116 PolarHBondContact O-OG 3.32Å; P113-S116 VanDerWaalsContact O-OG 3.09Å; P113-W117 VanDerWaalsContact O-CD1 3.25Å
114A53.2Low62.1Low68 Ų68130.4 Ų130.456%0.56267%0.669SS**Hα-helixtrans-69.1-21.4178.900000113.5A112A112-A114 VanDerWaalsContact C-N 3.26Å; A112-A114 PolarHBondContact O-N 3.31Å
115R55.7Low59.9Low203 Ų203137.2 Ų137.277%0.76669%0.686SS**Hα-helixtrans-84.9-22.9-177.4-69.3178.9178.2-118.61.5113.7A112 P113A112-R115 PolarHBondContact O-N 3.33Å; P113-R115 VanDerWaalsContact C-N 3.25Å; P113-R115 PolarHBondContact O-N 3.09Å
116S56.2Low58.3Low83 Ų83135.6 Ų135.658%0.5870%0.696SS**Hα-helixtrans-77.7-24.2-177.161.10000113.7P113P113-S116 PolarHBondContact O-OG 3.32Å; P113-S116 VanDerWaalsContact O-OG 3.09Å
117W50.9Low57Low224 Ų224138 Ų13885%0.84872%0.716SS**G310 helixtrans-83.9-12.6179.8-64.477.7000114P113 R119P113-W117 VanDerWaalsContact O-CD1 3.25Å; W117-R119 VanDerWaalsContact C-N 3.3Å; W117-R119 PolarHBondContact O-N 3.34Å
118K57.1Low55.6Low187 Ų187135.1 Ų135.181%0.81372%0.717SS**G310 helixtrans-79.60.4-178.3-87.3-83.3-173.8-173.40114.8
119R60.9Low54.5Low226 Ų226135.3 Ų135.385%0.85372%0.722SS**G310 helixtrans-114.433.6-174.2-152.9-175.7-179.5166.20.8115W117W117-R119 VanDerWaalsContact C-N 3.3Å; W117-R119 PolarHBondContact O-N 3.34Å
120K63.2Low53.9Low193 Ų193138.9 Ų138.984%0.83974%0.74SS**  trans-136.574.9166.6-69.3-78.8-173.1170.50109.4
121M59.9Low53.3Low173 Ų173140.9 Ų140.985%0.85274%0.744SS**  trans-96119.4155.6-73.8-66.4-177.100107.2K123M121-K123 PolarHBondContact O-N 2.92Å
122P54.1Low52.7Low119 Ų119146.2 Ų146.277%0.77377%0.765SS**  trans-64118.6167.4-1428.1000108.1Q124P122-Q124 VanDerWaalsContact C-N 3.33Å; P122-Q124 PolarHBondContact O-N 3.21Å
123K57.3Low52.4Low183 Ų183151.8 Ų151.880%0.79678%0.781SS**  trans-68.789.6173.8-175.7170.1-179.4177.30108.2M121 R125M121-K123 PolarHBondContact O-N 2.92Å; K123-R125 HydrophobicContact CG-CB 4.32Å; K123-R125 PolarHBondContact O-N 3.11Å; K123-R125 VanDerWaalsContact O-N 3.11Å
124Q56.9Low52.2Low198 Ų198153.5 Ų153.593%0.92579%0.792SS**  trans-67.9106.7161.9-103.8-153.213.200107.7P122P122-Q124 VanDerWaalsContact C-N 3.33Å; P122-Q124 PolarHBondContact O-N 3.21Å
125R41.8Very low51.6Low222 Ų222161.1 Ų161.184%0.83881%0.806SS**  trans-142.4100.6167.4-153-178.1-132.7-127.23.4109.2K123K123-R125 HydrophobicContact CG-CB 4.32Å; K123-R125 PolarHBondContact O-N 3.11Å; K123-R125 VanDerWaalsContact O-N 3.11Å
126G45.1Very low51.1Low74 Ų74156.3 Ų156.376%0.76381%0.81SS**  trans102.9117.214100000118.3
127A48.6Very low50.6Low109 Ų109159.4 Ų159.490%0.90182%0.819SS**  trans72.883.213800000118.8
128G43.4Very low50.4Low71 Ų71157.4 Ų157.473%0.73282%0.819SS**  trans-123.6104.7145.500000108L130G128-L130 PolarHBondContact O-N 3.21Å
129V50.4Low49.8Very low131 Ų131153.5 Ų153.579%0.79482%0.815SS**  trans-58.3116.6171.3173.20000107.9I131V129-I131 HydrophobicContact CG1-CG1 4.28Å
130L49Very low48.9Very low164 Ų164158 Ų15886%0.85983%0.832SS**  trans-114.5109.8161.2-73.8175.1000107.6G128 I132G128-L130 PolarHBondContact O-N 3.21Å; L130-I132 PolarHBondContact O-N 3.33Å
131I46.1Very low48.2Very low146 Ų146156.2 Ų156.275%0.74983%0.832SS**  trans-54.6120175.9-65.1171.3000108.3V129 Q133V129-I131 HydrophobicContact CG1-CG1 4.28Å; I131-Q133 PolarHBondContact O-N 3.3Å
132I45.5Very low47.6Very low156 Ų156155.3 Ų155.380%0.883%0.831SS**  trans-73.3110.8167.4-61.6166.6000106.6L130L130-I132 PolarHBondContact O-N 3.33Å
133Q49.8Very low47.2Very low177 Ų177157.3 Ų157.383%0.82783%0.834SS**PPolyproline II helixtrans-90.5121.9157.3-97.6-176.65600107.9I131 R135I131-Q133 PolarHBondContact O-N 3.3Å; Q133-R135 PolarHBondContact O-N 3.44Å
134P50.2Low46.6Very low116 Ų116155.8 Ų155.875%0.75384%0.836SS**PPolyproline II helixtrans-75.7124.1173.428.9-29.5000109.7A136P134-A136 PolarHBondContact O-N 3.36Å
135R41.5Very low45.9Very low228 Ų228153.2 Ų153.286%0.8683%0.83SS**PPolyproline II helixtrans-57.6124.3159.3-91.9-168.3173.5-173.7-1108.7Q133Q133-R135 PolarHBondContact O-N 3.44Å
136A44.9Very low46.2Very low103 Ų103148.6 Ų148.685%0.85183%0.83SS**PPolyproline II helixtrans-87.3122152.600000107.8P134P134-A136 PolarHBondContact O-N 3.36Å
137L46.7Very low46.3Very low147 Ų147153.9 Ų153.977%0.7784%0.835SS**  trans-109110.2169.2-123166.9000105
138E44.9Very low46.1Very low183 Ų183157.4 Ų157.486%0.85583%0.83SS**  trans-161.7143.7162.9-97.8158.1-152.400105.6
139S44.9Very low46.3Very low104 Ų104164.6 Ų164.673%0.72784%0.838SS**  cis173.2123.2-15.1-90.60000103.3
140R42.1Very low46Very low320 Ų320167.6 Ų167.6100%1.20884%0.842SS**  trans67.80159.8-163.9177.9-96.2-92.34.8119.5

Retrieved 140 of 140 residues in 22.5 ms (Link to these results)