X6R6Z1_HUMAN Loading...

Interleukin enhancer binding factor 2

AlphaFold DB , UniProt , Accession X6R6Z1, Species HUMAN (Homo sapiens, Human), Gene ILF2, Length 115 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
1M59.5Low79Confident243 Ų243152.3 Ų152.3100%1.19783%0.832SS**  0122.50-75175177.600107.6
2A76Confident80.2Confident101 Ų101149.9 Ų149.984%0.83581%0.811SS**PPolyproline II helixtrans-86.7135.5177.400000109.4
3F74.8Confident81.3Confident196 Ų196144 Ų14486%0.8678%0.783SS**PPolyproline II helixtrans-62.6139.2178.2-77.7-87.2000110.9R5F3-R5 PolarHBondContact O-N 3.22Å
4P79.8Confident82.3Confident122 Ų122140.1 Ų140.179%0.79277%0.771SS**PPolyproline II helixtrans-57.7129.2173.2-19.830.6000110V6P4-V6 PolarHBondContact O-N 3.11Å
5R78.3Confident83.1Confident241 Ų241139.3 Ų139.391%0.90976%0.758SS**PPolyproline II helixtrans-64.8133.2174.5-72.3-177.3168.2171.5-3.7109F3 K7F3-R5 PolarHBondContact O-N 3.22Å; R5-K7 PolarHBondContact O-N 2.64Å
6V83.2Confident83.9Confident138 Ų138134 Ų13484%0.83673%0.734SS**PPolyproline II helixtrans-59138174.891.10000108.6P4P4-V6 PolarHBondContact O-N 3.11Å
7K80.8Confident84.7Confident188 Ų188133 Ų13382%0.81772%0.723SS**PPolyproline II helixtrans-60.9138.1173.8-71.4-177.2179.2179.30108.3R5R5-K7 PolarHBondContact O-N 2.64Å
8P80.4Confident85.4Confident118 Ų118128.8 Ų128.877%0.76671%0.709SS**PPolyproline II helixtrans-53.6146171.7-21.531.6000110
9A81.9Confident86Confident90 Ų90127.1 Ų127.174%0.74470%0.698SS**PPolyproline II helixtrans-56.3141.8171.500000109.4
10P85.3Confident86.6Confident105 Ų105126.3 Ų126.368%0.68269%0.692SS**PPolyproline II helixtrans-55.4147.4172.4-22.333.1000111.1E12P10-E12 PolarHBondContact O-N 2.81Å
11D89.1Confident87Confident133 Ų133126.4 Ų126.471%0.71169%0.686SS**  trans-72.7113.5169.1-178.35000109.1T13D11-T13 VanDerWaalsContact OD1-CB 3.22Å; D11-T13 WeakPolarHBondContact OD1-CB 3.38Å; D11-T13 PolarHBondContact OD1-N 3.02Å; D11-T13 PolarHBondContact OD1-OG1 3.2Å
12E93.4Very high88.8Confident124 Ų124121.9 Ų121.958%0.57966%0.656SS**  trans-101.913.1-178.1-61.4-171.3152.300112.7P10 S14 F15 S16P10-E12 PolarHBondContact O-N 2.81Å; E12-S14 PolarHBondContact O-N 2.78Å; E12-F15 PolarHBondContact O-N 3.21Å; E12-S16 WeakPolarHBondContact O-CB 3.35Å; E12-S16 PolarHBondContact O-N 3.48Å; E12-S16 PolarHBondContact O-OG 2.9Å
13T94.9Very high89.6Confident73 Ų73122.2 Ų122.245%0.44864%0.644SS.*Hα-helixtrans-58.7-52.4-176.1-570000111.4D11 F15 S16 E17D11-T13 VanDerWaalsContact OD1-CB 3.22Å; D11-T13 WeakPolarHBondContact OD1-CB 3.38Å; D11-T13 PolarHBondContact OD1-N 3.02Å; D11-T13 PolarHBondContact OD1-OG1 3.2Å; T13-F15 VanDerWaalsContact C-N 3.28Å; T13-F15 PolarHBondContact O-N 3.3Å; T13-S16 WeakPolarHBondContact O-CB 3.48Å; T13-S16 PolarHBondContact O-N 3.28Å; T13-S16 VanDerWaalsContact O-N 3.15Å; T13-E17 HydrophobicContact CG2-CG 4.47Å; T13-E17 WeakPolarHBondContact O-CG 3.35Å; T13-E17 PolarHBondContact O-N 3.44Å
14S94.7Very high90.5Very high89 Ų89119.7 Ų119.762%0.62263%0.634SS**Hα-helixtrans-63.7-33-179.1-54.60000113.2E12 A18E12-S14 PolarHBondContact O-N 2.78Å; S14-A18 WeakPolarHBondContact O-CB 3.41Å; S14-A18 PolarHBondContact O-N 2.97Å
15F94.6Very high91.2Very high129 Ų129118 Ų11857%0.56662%0.619SS**Hα-helixtrans-68.5-45.3175.1177.1-112000110.8E12 T13 E17 A18 L19E12-F15 PolarHBondContact O-N 3.21Å; T13-F15 VanDerWaalsContact C-N 3.28Å; T13-F15 PolarHBondContact O-N 3.3Å; F15-E17 PolarHBondContact O-N 3.42Å; F15-A18 PolarHBondContact O-N 3.02Å; F15-L19 HydrophobicContact CD1-CD1 4.08Å; F15-L19 HydrophobicContact CE1-CD1 3.53Å; F15-L19 HydrophobicContact CE1-CG 4.25Å; F15-L19 HydrophobicContact CE2-CD1 4.4Å; F15-L19 HydrophobicContact CE2-CD2 4.34Å; F15-L19 HydrophobicContact CE2-CG 4.3Å; F15-L19 HydrophobicContact CZ-CD1 3.71Å; F15-L19 HydrophobicContact CZ-CD2 4.2Å; F15-L19 HydrophobicContact CZ-CG 4.08Å; F15-L19 WeakPolarHBondContact O-CG 3.34Å; F15-L19 PolarHBondContact O-N 3.08Å
16S96.1Very high92Very high54 Ų54109.9 Ų109.938%0.37859%0.593SS.*Hα-helixtrans-60.5-44176.4-58.50000111.8E12 T13 A18 L19 L20E12-S16 WeakPolarHBondContact O-CB 3.35Å; E12-S16 PolarHBondContact O-N 3.48Å; E12-S16 PolarHBondContact O-OG 2.9Å; T13-S16 WeakPolarHBondContact O-CB 3.48Å; T13-S16 PolarHBondContact O-N 3.28Å; T13-S16 VanDerWaalsContact O-N 3.15Å; S16-A18 PolarHBondContact O-N 3.38Å; S16-L19 PolarHBondContact O-N 3.47Å; S16-L20 WeakPolarHBondContact O-CG 3.32Å; S16-L20 PolarHBondContact O-N 3.22Å
17E97.2Very high92.4Very high117 Ų117105.1 Ų105.155%0.54757%0.568SS.*Hα-helixtrans-60.4-42.6174.9-72.3174.9168.200112.2T13 F15 L19 L20 K21T13-E17 HydrophobicContact CG2-CG 4.47Å; T13-E17 WeakPolarHBondContact O-CG 3.35Å; T13-E17 PolarHBondContact O-N 3.44Å; F15-E17 PolarHBondContact O-N 3.42Å; E17-L19 PolarHBondContact O-N 3.44Å; E17-L20 PolarHBondContact O-N 3.48Å; E17-K21 WeakPolarHBondContact O-CB 3.46Å; E17-K21 PolarHBondContact O-N 2.92Å
18A97.3Very high93.1Very high57 Ų5797 Ų9747%0.47153%0.534SS..Hα-helixtrans-63.7-39.7177.200000112.2S14 F15 S16 R22S14-A18 WeakPolarHBondContact O-CB 3.41Å; S14-A18 PolarHBondContact O-N 2.97Å; F15-A18 PolarHBondContact O-N 3.02Å; S16-A18 PolarHBondContact O-N 3.38Å; A18-R22 WeakPolarHBondContact O-CB 3.34Å; A18-R22 PolarHBondContact O-N 2.98Å
19L97.5Very high93.7Very high97 Ų9795.2 Ų95.251%0.50852%0.519SS..Hα-helixtrans-65.4-44.3175-69.2-179.6000112F15 S16 E17 R22 N23F15-L19 HydrophobicContact CD1-CD1 4.08Å; F15-L19 HydrophobicContact CE1-CD1 3.53Å; F15-L19 HydrophobicContact CE1-CG 4.25Å; F15-L19 HydrophobicContact CE2-CD1 4.4Å; F15-L19 HydrophobicContact CE2-CD2 4.34Å; F15-L19 HydrophobicContact CE2-CG 4.3Å; F15-L19 HydrophobicContact CZ-CD1 3.71Å; F15-L19 HydrophobicContact CZ-CD2 4.2Å; F15-L19 HydrophobicContact CZ-CG 4.08Å; F15-L19 WeakPolarHBondContact O-CG 3.34Å; F15-L19 PolarHBondContact O-N 3.08Å; S16-L19 PolarHBondContact O-N 3.47Å; E17-L19 PolarHBondContact O-N 3.44Å; L19-R22 PolarHBondContact O-N 3.38Å; L19-N23 WeakPolarHBondContact O-CB 3.25Å; L19-N23 PolarHBondContact O-N 3.34Å
20L96.8Very high94.3Very high110 Ų11095.8 Ų95.858%0.57652%0.517SS*.Hα-helixtrans-62.2-45.1177.4-72.5173.1000111.3S16 E17 N23 Q24S16-L20 WeakPolarHBondContact O-CG 3.32Å; S16-L20 PolarHBondContact O-N 3.22Å; E17-L20 PolarHBondContact O-N 3.48Å; L20-N23 WeakPolarHBondContact O-CB 3.39Å; L20-N23 PolarHBondContact O-N 3.48Å; L20-Q24 WeakPolarHBondContact O-CG 3.41Å; L20-Q24 PolarHBondContact O-N 2.75Å
21K96.6Very high94.6Very high130 Ų13094.2 Ų94.257%0.56551%0.513SS*.Hα-helixtrans-60.5-46.4175.2-177.3173.5-179.41750111.4E17 N23 Q24 D25E17-K21 WeakPolarHBondContact O-CB 3.46Å; E17-K21 PolarHBondContact O-N 2.92Å; K21-N23 VanDerWaalsContact C-N 3.28Å; K21-N23 PolarHBondContact O-N 3.49Å; K21-Q24 WeakPolarHBondContact O-CB 3.31Å; K21-Q24 PolarHBondContact O-N 3.41Å; K21-Q24 VanDerWaalsContact O-N 3.15Å; K21-D25 WeakPolarHBondContact O-CB 3.46Å; K21-D25 PolarHBondContact O-N 3.47Å
22R96.5Very high94.8Very high148 Ų14889 Ų8956%0.55848%0.484SS*.Hα-helixtrans-62.4-36.2179-173.857.8173.9151.80.8112.3A18 L19 L26A18-R22 WeakPolarHBondContact O-CB 3.34Å; A18-R22 PolarHBondContact O-N 2.98Å; L19-R22 PolarHBondContact O-N 3.38Å; R22-L26 HydrophobicContact CG-CD1 4.11Å; R22-L26 WeakPolarHBondContact O-CB 3.35Å; R22-L26 VanDerWaalsContact O-CG 3.22Å; R22-L26 WeakPolarHBondContact O-CG 3.16Å; R22-L26 PolarHBondContact O-N 3.28Å
23N93.4Very high94.8Very high108 Ų10888.2 Ų88.258%0.57848%0.481SS*.Hα-helixtrans-63.4-49.5173.3-175.9-21.2000110.8L19 L20 K21 D25 L26 A27L19-N23 WeakPolarHBondContact O-CB 3.25Å; L19-N23 PolarHBondContact O-N 3.34Å; L20-N23 WeakPolarHBondContact O-CB 3.39Å; L20-N23 PolarHBondContact O-N 3.48Å; K21-N23 VanDerWaalsContact C-N 3.28Å; K21-N23 PolarHBondContact O-N 3.49Å; N23-D25 VanDerWaalsContact C-N 3.31Å; N23-D25 PolarHBondContact O-N 2.9Å; N23-L26 PolarHBondContact O-N 2.97Å; N23-L26 VanDerWaalsContact O-N 3.07Å; N23-A27 WeakPolarHBondContact O-CB 3.49Å; N23-A27 PolarHBondContact O-N 2.71Å
24Q93.7Very high94.7Very high143 Ų14387.5 Ų87.567%0.66848%0.482SS*.Hα-helixtrans-58.5-42176.8-70.4172.5-2.200112.5L20 K21 L26 A27L20-Q24 WeakPolarHBondContact O-CG 3.41Å; L20-Q24 PolarHBondContact O-N 2.75Å; K21-Q24 WeakPolarHBondContact O-CB 3.31Å; K21-Q24 PolarHBondContact O-N 3.41Å; K21-Q24 VanDerWaalsContact O-N 3.15Å; Q24-L26 PolarHBondContact O-N 2.77Å; Q24-A27 PolarHBondContact O-N 3.03Å
25D94.3Very high94.6Very high87 Ų8786.4 Ų86.447%0.46547%0.474SS..Hα-helixtrans-66.6-23.5178.5-67.2-19.7000112.9K21 N23 T77K21-D25 WeakPolarHBondContact O-CB 3.46Å; K21-D25 PolarHBondContact O-N 3.47Å; N23-D25 VanDerWaalsContact C-N 3.31Å; N23-D25 PolarHBondContact O-N 2.9Å; D25-T77 VanDerWaalsContact O-CG2 3.31Å; D25-T77 WeakPolarHBondContact O-CG2 3.45Å
26L94.7Very high94.6Very high70 Ų7080.8 Ų80.837%0.36645%0.45SS..Hα-helixtrans-97.6-23.3179.6-70174.7000112.8R22 N23 Q24 T76 T77R22-L26 HydrophobicContact CG-CD1 4.11Å; R22-L26 WeakPolarHBondContact O-CB 3.35Å; R22-L26 VanDerWaalsContact O-CG 3.22Å; R22-L26 WeakPolarHBondContact O-CG 3.16Å; R22-L26 PolarHBondContact O-N 3.28Å; N23-L26 PolarHBondContact O-N 2.97Å; N23-L26 VanDerWaalsContact O-N 3.07Å; Q24-L26 PolarHBondContact O-N 2.77Å; L26-T76 CarbonylContact O-C 3.59Å; L26-T76 VanDerWaalsContact O-CA 3.23Å; L26-T76 WeakPolarHBondContact O-CA 3.33Å; L26-T77 PolarHBondContact O-N 2.95Å
27A92.2Very high94.5Very high38 Ų3882.5 Ų82.531%0.31446%0.455SS..SBendtrans-70.5138.5-179.100000110.8N23 Q24 N29N23-A27 WeakPolarHBondContact O-CB 3.49Å; N23-A27 PolarHBondContact O-N 2.71Å; Q24-A27 PolarHBondContact O-N 3.03Å; A27-N29 PolarHBondContact O-N 2.92Å
28P94.4Very high94.3Very high17 Ų1779.6 Ų79.611%0.1145%0.447CS..PPolyproline II helixtrans-60.6137.6174.1-16.928.2000110.1E32 Q33 M75P28-E32 WeakPolarHBondContact CA-OE2 3.39Å; P28-E32 HydrophobicContact CB-CB 4.16Å; P28-Q33 HydrophobicContact CB-CG 4.02Å; P28-Q33 PolarHBondContact O-NE2 3.45Å; P28-M75 WeakPolarHBondContact CD-O 3.47Å; P28-M75 HydrophobicContact CG-CB 3.69Å; P28-M75 WeakPolarHBondContact CG-O 3.37Å
29N93.8Very high94.1Very high81 Ų8180.1 Ų80.143%0.43344%0.442SS..PPolyproline II helixtrans-72.4166.8177.470.856.4000111.4A27 A31 E32 Q33A27-N29 PolarHBondContact O-N 2.92Å; N29-A31 PolarHBondContact O-N 3.48Å; N29-A31 WeakPolarHBondContact OD1-CA 3.48Å; N29-A31 WeakPolarHBondContact OD1-CB 3.39Å; N29-A31 PolarHBondContact OD1-N 3.39Å; N29-E32 PolarHBondContact N-OE2 3.23Å; N29-E32 WeakPolarHBondContact ND2-CG 3.36Å; N29-E32 PolarHBondContact ND2-OE2 3.5Å; N29-E32 WeakPolarHBondContact O-CB 3.36Å; N29-E32 PolarHBondContact O-N 3.44Å; N29-E32 VanDerWaalsContact O-N 3.16Å; N29-E32 WeakPolarHBondContact OD1-CG 3.32Å; N29-E32 PolarHBondContact OD1-N 3.06Å; N29-Q33 WeakPolarHBondContact O-CG 3.5Å; N29-Q33 PolarHBondContact O-N 3.49Å
30S92.9Very high94Very high102 Ų10275.8 Ų75.871%0.71342%0.419SS*.Hα-helixtrans-60.8-31.4-176.1-54.70000113.9A34S30-A34 VanDerWaalsContact O-CB 3.3Å; S30-A34 WeakPolarHBondContact O-CB 3.24Å; S30-A34 PolarHBondContact O-N 2.92Å
31A93.5Very high93.9Very high72 Ų7273.6 Ų73.660%0.59541%0.41SS*.Hα-helixtrans-71.3-41177.700000111.3N29 A34 S35N29-A31 PolarHBondContact O-N 3.48Å; N29-A31 WeakPolarHBondContact OD1-CA 3.48Å; N29-A31 WeakPolarHBondContact OD1-CB 3.39Å; N29-A31 PolarHBondContact OD1-N 3.39Å; A31-A34 PolarHBondContact O-N 2.87Å; A31-S35 PolarHBondContact O-N 3.38Å; A31-S35 PolarHBondContact O-OG 2.85Å
32E93Very high93.8Very high24 Ų2469.5 Ų69.511%0.11239%0.393CS..Hα-helixtrans-62.2-42.5174.4-67.5-177.2123.900112.1P28 N29 S35 I36 T77 G78 N80P28-E32 WeakPolarHBondContact CA-OE2 3.39Å; P28-E32 HydrophobicContact CB-CB 4.16Å; N29-E32 PolarHBondContact N-OE2 3.23Å; N29-E32 WeakPolarHBondContact ND2-CG 3.36Å; N29-E32 PolarHBondContact ND2-OE2 3.5Å; N29-E32 WeakPolarHBondContact O-CB 3.36Å; N29-E32 PolarHBondContact O-N 3.44Å; N29-E32 VanDerWaalsContact O-N 3.16Å; N29-E32 WeakPolarHBondContact OD1-CG 3.32Å; N29-E32 PolarHBondContact OD1-N 3.06Å; E32-S35 PolarHBondContact O-OG 3.39Å; E32-I36 WeakPolarHBondContact O-CB 3.4Å; E32-I36 WeakPolarHBondContact O-CG1 3.34Å; E32-I36 PolarHBondContact O-N 2.8Å; E32-T77 PolarHBondContact OE2-OG1 3.32Å; E32-G78 PolarHBondContact OE1-N 3.39Å; E32-N80 WeakPolarHBondContact CB-OD1 3.31Å; E32-N80 VanDerWaalsContact CG-ND2 3.26Å; E32-N80 WeakPolarHBondContact CG-ND2 3.29Å; E32-N80 PolarHBondContact OE1-ND2 2.98Å; E32-N80 PolarHBondContact OE1-OD1 3.07Å
33Q91.9Very high93.7Very high107 Ų10764 Ų6450%0.537%0.374SS..Hα-helixtrans-64.9-44176.7-66.618014.700111.5P28 N29 L37P28-Q33 HydrophobicContact CB-CG 4.02Å; P28-Q33 PolarHBondContact O-NE2 3.45Å; N29-Q33 WeakPolarHBondContact O-CG 3.5Å; N29-Q33 PolarHBondContact O-N 3.49Å; Q33-L37 VanDerWaalsContact O-CB 3.26Å; Q33-L37 WeakPolarHBondContact O-CB 3.38Å; Q33-L37 PolarHBondContact O-N 3.29Å
34A93.8Very high93.8Very high58 Ų5859.6 Ų59.648%0.47935%0.351SS..Hα-helixtrans-66.2-41.1-178.800000112.5S30 A31 L37 S38S30-A34 VanDerWaalsContact O-CB 3.3Å; S30-A34 WeakPolarHBondContact O-CB 3.24Å; S30-A34 PolarHBondContact O-N 2.92Å; A31-A34 PolarHBondContact O-N 2.87Å; A34-L37 PolarHBondContact O-N 3.21Å; A34-S38 WeakPolarHBondContact O-CB 3.43Å; A34-S38 PolarHBondContact O-N 2.96Å
35S92.8Very high93.8Very high65 Ų6556.6 Ų56.646%0.45534%0.339SS..Hα-helixtrans-65.3-45.4179.461.60000111.8A31 E32 S38 L39A31-S35 PolarHBondContact O-N 3.38Å; A31-S35 PolarHBondContact O-OG 2.85Å; E32-S35 PolarHBondContact O-OG 3.39Å; S35-S38 PolarHBondContact O-N 2.96Å; S35-L39 PolarHBondContact O-N 3.26Å
36I94.1Very high93.8Very high11 Ų1152.6 Ų52.66%0.05632%0.318CS..Hα-helixtrans-62-47.6175.8-75.5-95.2000111.5E32 S38 L39 V40 Y70 M75 N80 A82E32-I36 WeakPolarHBondContact O-CB 3.4Å; E32-I36 WeakPolarHBondContact O-CG1 3.34Å; E32-I36 PolarHBondContact O-N 2.8Å; I36-S38 VanDerWaalsContact C-N 3.29Å; I36-S38 PolarHBondContact O-N 3.5Å; I36-L39 PolarHBondContact O-N 2.96Å; I36-V40 HydrophobicContact CG2-CG2 4.3Å; I36-V40 WeakPolarHBondContact O-CB 3.38Å; I36-V40 VanDerWaalsContact O-CG2 3.26Å; I36-V40 WeakPolarHBondContact O-CG2 3.4Å; I36-V40 PolarHBondContact O-N 3.04Å; I36-Y70 HydrophobicContact CG2-CD2 3.36Å; I36-Y70 HydrophobicContact CG2-CE2 3.45Å; I36-Y70 VanDerWaalsContact CG2-CE2 3.45Å; I36-Y70 HydrophobicContact CG2-CG 4.27Å; I36-M75 HydrophobicContact CB-CE 4.41Å; I36-M75 HydrophobicContact CD1-CE 3.96Å; I36-M75 HydrophobicContact CG1-CE 3.91Å; I36-M75 HydrophobicContact CG2-CE 4.2Å; I36-M75 HydrophobicContact CG2-SD 4.22Å; I36-N80 HydrophobicContact CD1-CB 3.79Å; I36-N80 WeakPolarHBondContact CD1-O 3.4Å; I36-N80 HydrophobicContact CG1-CB 3.76Å; I36-A82 HydrophobicContact CD1-CB 4.49Å; I36-A82 HydrophobicContact CG2-CB 4.12Å
37L94.1Very high93.8Very high91 Ų9149.5 Ų49.548%0.47630%0.302SS..Hα-helixtrans-57.7-46.1178.2175.861.4000110.7Q33 A34 V40 T41 Y70Q33-L37 VanDerWaalsContact O-CB 3.26Å; Q33-L37 WeakPolarHBondContact O-CB 3.38Å; Q33-L37 PolarHBondContact O-N 3.29Å; A34-L37 PolarHBondContact O-N 3.21Å; L37-V40 PolarHBondContact O-N 3.38Å; L37-T41 WeakPolarHBondContact O-CB 3.37Å; L37-T41 PolarHBondContact O-N 3.33Å; L37-T41 PolarHBondContact O-OG1 3.06Å; L37-Y70 WeakPolarHBondContact CD1-OH 3.45Å
38S93.4Very high94Very high56 Ų5651.1 Ų51.139%0.39231%0.305SS..Hα-helixtrans-58.2-51.2178.6-170.20000111.7A34 S35 I36 V40 T41 K42A34-S38 WeakPolarHBondContact O-CB 3.43Å; A34-S38 PolarHBondContact O-N 2.96Å; S35-S38 PolarHBondContact O-N 2.96Å; I36-S38 VanDerWaalsContact C-N 3.29Å; I36-S38 PolarHBondContact O-N 3.5Å; S38-V40 PolarHBondContact O-N 3.49Å; S38-T41 PolarHBondContact O-N 3.41Å; S38-K42 WeakPolarHBondContact O-CG 3.3Å; S38-K42 PolarHBondContact O-N 3.34Å
39L93.4Very high93.9Very high68 Ų6855 Ų5536%0.35633%0.325SS..Hα-helixtrans-61.1-46.6180179.761000111.9S35 I36 T41 K42 I43 E115S35-L39 PolarHBondContact O-N 3.26Å; I36-L39 PolarHBondContact O-N 2.96Å; L39-T41 VanDerWaalsContact C-N 3.31Å; L39-T41 PolarHBondContact O-N 2.97Å; L39-K42 PolarHBondContact O-N 3.33Å; L39-I43 HydrophobicContact CD1-CD1 3.86Å; L39-I43 HydrophobicContact CD1-CG1 4.28Å; L39-I43 HydrophobicContact CG-CD1 3.88Å; L39-I43 WeakPolarHBondContact O-CG1 3.5Å; L39-I43 PolarHBondContact O-N 2.97Å; L39-E115 WeakPolarHBondContact CD1-OE2 3.22Å
40V95.1Very high93.9Very high5 Ų551.9 Ų51.93%0.0331%0.308CS..Hα-helixtrans-62.3-40.1178.9172.30000111.2I36 L37 S38 N44 Q66 Y70 A82 L84I36-V40 HydrophobicContact CG2-CG2 4.3Å; I36-V40 WeakPolarHBondContact O-CB 3.38Å; I36-V40 VanDerWaalsContact O-CG2 3.26Å; I36-V40 WeakPolarHBondContact O-CG2 3.4Å; I36-V40 PolarHBondContact O-N 3.04Å; L37-V40 PolarHBondContact O-N 3.38Å; S38-V40 PolarHBondContact O-N 3.49Å; V40-N44 WeakPolarHBondContact CG1-ND2 3.42Å; V40-N44 WeakPolarHBondContact O-CB 3.34Å; V40-N44 PolarHBondContact O-N 2.95Å; V40-N44 PolarHBondContact O-ND2 3.28Å; V40-Q66 HydrophobicContact CG1-CG 4.23Å; V40-Y70 HydrophobicContact CB-CE1 4.21Å; V40-Y70 HydrophobicContact CG1-CE1 3.68Å; V40-Y70 HydrophobicContact CG2-CD1 4.36Å; V40-Y70 HydrophobicContact CG2-CE1 4.02Å; V40-A82 HydrophobicContact CG2-CB 3.32Å; V40-L84 HydrophobicContact CG1-CD2 4.39Å
41T94.5Very high94Very high64 Ų6449.5 Ų49.539%0.39329%0.287SS..Hα-helixtrans-64.5-45.4176-65.60000111.5L37 S38 L39 I43 N44 N45L37-T41 WeakPolarHBondContact O-CB 3.37Å; L37-T41 PolarHBondContact O-N 3.33Å; L37-T41 PolarHBondContact O-OG1 3.06Å; S38-T41 PolarHBondContact O-N 3.41Å; L39-T41 VanDerWaalsContact C-N 3.31Å; L39-T41 PolarHBondContact O-N 2.97Å; T41-I43 PolarHBondContact O-N 3.33Å; T41-N44 PolarHBondContact O-N 3.23Å; T41-N45 WeakPolarHBondContact O-CB 3.49Å; T41-N45 PolarHBondContact O-N 3.09Å; T41-N45 PolarHBondContact O-ND2 3.44Å
42K94.1Very high94Very high44 Ų4452 Ų5219%0.19129%0.294CS..Hα-helixtrans-59.5-47.7177.2-68.5177-169.5178.20111.5S38 L39 N45 V46 L108 D112 E115S38-K42 WeakPolarHBondContact O-CG 3.3Å; S38-K42 PolarHBondContact O-N 3.34Å; L39-K42 PolarHBondContact O-N 3.33Å; K42-N45 PolarHBondContact O-N 2.9Å; K42-V46 WeakPolarHBondContact O-CG2 3.26Å; K42-V46 PolarHBondContact O-N 3.45Å; K42-V46 VanDerWaalsContact O-N 3.09Å; K42-L108 HydrophobicContact CB-CD2 3.64Å; K42-D112 IonicContact NZ-OD2 3.19Å; K42-D112 PolarHBondContact NZ-OD2 3Å; K42-E115 IonicContact NZ-OE1 2.78Å; K42-E115 PolarHBondContact NZ-OE1 2.77Å
43I94.9Very high94Very high34 Ų3454.3 Ų54.317%0.17432%0.317CS..Hα-helixtrans-62.7-45.7178.7-67.9167.2000111.3L39 T41 N45 V46 I47 L84 V104 L108L39-I43 HydrophobicContact CD1-CD1 3.86Å; L39-I43 HydrophobicContact CD1-CG1 4.28Å; L39-I43 HydrophobicContact CG-CD1 3.88Å; L39-I43 WeakPolarHBondContact O-CG1 3.5Å; L39-I43 PolarHBondContact O-N 2.97Å; T41-I43 PolarHBondContact O-N 3.33Å; I43-N45 VanDerWaalsContact C-N 3.33Å; I43-N45 PolarHBondContact O-N 3.42Å; I43-V46 PolarHBondContact O-N 3.3Å; I43-I47 HydrophobicContact CG2-CD1 3.69Å; I43-I47 HydrophobicContact CG2-CG1 4.38Å; I43-I47 WeakPolarHBondContact O-CG1 3.42Å; I43-I47 PolarHBondContact O-N 3.11Å; I43-L84 HydrophobicContact CB-CD1 4.15Å; I43-L84 HydrophobicContact CG2-CD1 3.47Å; I43-L84 VanDerWaalsContact CG2-CD1 3.47Å; I43-V104 HydrophobicContact CG2-CG1 4.38Å; I43-L108 HydrophobicContact CG1-CD1 3.88Å; I43-L108 HydrophobicContact CG1-CD2 4.41Å
44N94.9Very high93.8Very high15 Ų1551.9 Ų51.98%0.0831%0.311CS..Hα-helixtrans-60.5-44177.9-80.2-60.2000111.3V40 T41 V46 I47 D48 Q66V40-N44 WeakPolarHBondContact CG1-ND2 3.42Å; V40-N44 WeakPolarHBondContact O-CB 3.34Å; V40-N44 PolarHBondContact O-N 2.95Å; V40-N44 PolarHBondContact O-ND2 3.28Å; T41-N44 PolarHBondContact O-N 3.23Å; N44-V46 VanDerWaalsContact C-N 3.3Å; N44-V46 PolarHBondContact O-N 3.04Å; N44-I47 PolarHBondContact O-N 3Å; N44-I47 VanDerWaalsContact O-N 3.11Å; N44-D48 WeakPolarHBondContact O-CB 3.26Å; N44-D48 VanDerWaalsContact O-CG 3.28Å; N44-D48 PolarHBondContact O-N 3.4Å; N44-Q66 PolarHBondContact ND2-NE2 3.06Å
45N94.4Very high93.6Very high79 Ų7952.7 Ų52.742%0.42233%0.325SS..Hα-helixtrans-59.6-40.9177.6-69.4-19.2000112.3T41 K42 I43 N49T41-N45 WeakPolarHBondContact O-CB 3.49Å; T41-N45 PolarHBondContact O-N 3.09Å; T41-N45 PolarHBondContact O-ND2 3.44Å; K42-N45 PolarHBondContact O-N 2.9Å; I43-N45 VanDerWaalsContact C-N 3.33Å; I43-N45 PolarHBondContact O-N 3.42Å; N45-N49 WeakPolarHBondContact O-CB 3.23Å; N45-N49 PolarHBondContact O-N 3.06Å; N45-N49 PolarHBondContact O-ND2 3.24Å
46V94.3Very high93.3Very high3 Ų356.7 Ų56.72%0.01835%0.347CS..Hα-helixtrans-62.1-46.9175171.40000110.7K42 I43 N44 N49 L50 V104 L108K42-V46 WeakPolarHBondContact O-CG2 3.26Å; K42-V46 PolarHBondContact O-N 3.45Å; K42-V46 VanDerWaalsContact O-N 3.09Å; I43-V46 PolarHBondContact O-N 3.3Å; N44-V46 VanDerWaalsContact C-N 3.3Å; N44-V46 PolarHBondContact O-N 3.04Å; V46-N49 PolarHBondContact O-N 3.04Å; V46-L50 HydrophobicContact CG1-CD1 4.26Å; V46-L50 WeakPolarHBondContact O-CG 3.44Å; V46-L50 PolarHBondContact O-N 3.22Å; V46-V104 HydrophobicContact CG1-CB 4.45Å; V46-V104 HydrophobicContact CG1-CG1 4.47Å; V46-V104 HydrophobicContact CG1-CG2 4.18Å; V46-L108 HydrophobicContact CG2-CD2 4.11Å; V46-L108 HydrophobicContact CG2-CG 4.32Å
47I95.2Very high93.1Very high6 Ų657.4 Ų57.43%0.03135%0.35CS..Hα-helixtrans-66.9-43.6-178.8-65.2169.5000111.4I43 N44 N49 L50 I51 I61 V64 V86 V104I43-I47 HydrophobicContact CG2-CD1 3.69Å; I43-I47 HydrophobicContact CG2-CG1 4.38Å; I43-I47 WeakPolarHBondContact O-CG1 3.42Å; I43-I47 PolarHBondContact O-N 3.11Å; N44-I47 PolarHBondContact O-N 3Å; N44-I47 VanDerWaalsContact O-N 3.11Å; I47-N49 VanDerWaalsContact C-N 3.3Å; I47-N49 PolarHBondContact O-N 3.11Å; I47-L50 CarbonylContact O-C 3.35Å; I47-L50 WeakPolarHBondContact O-CA 3.48Å; I47-L50 WeakPolarHBondContact O-CB 3.41Å; I47-L50 PolarHBondContact O-N 3.22Å; I47-I51 HydrophobicContact CG2-CD1 4.03Å; I47-I51 HydrophobicContact CG2-CG1 4.45Å; I47-I51 WeakPolarHBondContact O-CG1 3.37Å; I47-I51 PolarHBondContact O-N 3.01Å; I47-I61 HydrophobicContact CG2-CD1 4.14Å; I47-I61 HydrophobicContact CG2-CG2 4.26Å; I47-V64 HydrophobicContact CD1-CG2 4.08Å; I47-V64 HydrophobicContact CG2-CB 3.87Å; I47-V64 HydrophobicContact CG2-CG1 3.98Å; I47-V64 HydrophobicContact CG2-CG2 4.41Å; I47-V86 HydrophobicContact CD1-CG2 3.98Å; I47-V104 HydrophobicContact CG1-CG2 4.24Å
48D94.6Very high92.8Very high71 Ų7161.5 Ų61.538%0.3837%0.366SS..Hα-helixtrans-60.7-40.5177.3-72.2-24.8000111.3N44 L50 I51 V52N44-D48 WeakPolarHBondContact O-CB 3.26Å; N44-D48 VanDerWaalsContact O-CG 3.28Å; N44-D48 PolarHBondContact O-N 3.4Å; D48-L50 VanDerWaalsContact C-N 3.34Å; D48-L50 PolarHBondContact O-N 3.16Å; D48-I51 WeakPolarHBondContact O-CB 3.36Å; D48-I51 PolarHBondContact O-N 3.23Å; D48-V52 WeakPolarHBondContact O-CG2 3.39Å; D48-V52 PolarHBondContact O-N 2.98Å
49N94.1Very high92.8Very high99 Ų9959.3 Ų59.353%0.52935%0.35SS..Hα-helixtrans-63.7-39.1173.3-74.4-29.8000112.1N45 V46 I47 I51 V52 A53N45-N49 WeakPolarHBondContact O-CB 3.23Å; N45-N49 PolarHBondContact O-N 3.06Å; N45-N49 PolarHBondContact O-ND2 3.24Å; V46-N49 PolarHBondContact O-N 3.04Å; I47-N49 VanDerWaalsContact C-N 3.3Å; I47-N49 PolarHBondContact O-N 3.11Å; N49-I51 VanDerWaalsContact C-N 3.32Å; N49-V52 PolarHBondContact O-N 3.38Å; N49-A53 CarbonylContact O-C 3.46Å; N49-A53 WeakPolarHBondContact O-CA 3.42Å; N49-A53 PolarHBondContact O-N 3.03Å
50L93.8Very high92.6Very high16 Ų1661.5 Ų61.58%0.08436%0.359CS..Hα-helixtrans-67.9-30.6175-68.3172.8000112.5V46 I47 D48 P54 F57 I61 L100 K103V46-L50 HydrophobicContact CG1-CD1 4.26Å; V46-L50 WeakPolarHBondContact O-CG 3.44Å; V46-L50 PolarHBondContact O-N 3.22Å; I47-L50 CarbonylContact O-C 3.35Å; I47-L50 WeakPolarHBondContact O-CA 3.48Å; I47-L50 WeakPolarHBondContact O-CB 3.41Å; I47-L50 PolarHBondContact O-N 3.22Å; D48-L50 VanDerWaalsContact C-N 3.34Å; D48-L50 PolarHBondContact O-N 3.16Å; L50-P54 WeakPolarHBondContact O-CA 3.36Å; L50-P54 WeakPolarHBondContact O-CB 3.46Å; L50-F57 HydrophobicContact CD1-CD1 4.39Å; L50-F57 HydrophobicContact CD1-CE1 4.22Å; L50-F57 HydrophobicContact CD2-CB 4.35Å; L50-F57 HydrophobicContact CD2-CD1 3.94Å; L50-F57 HydrophobicContact CD2-CG 4.26Å; L50-I61 HydrophobicContact CB-CD1 3.96Å; L50-I61 HydrophobicContact CD1-CD1 4.44Å; L50-L100 HydrophobicContact CD1-CD1 4.13Å; L50-K103 HydrophobicContact CD1-CG 4.08Å; L50-K103 HydrophobicContact CD2-CG 4.06Å
51I94.1Very high92.6Very high52 Ų5261.6 Ų61.627%0.26736%0.359SS..Hα-helixtrans-67.7-46.2174.3-68.7164.5000110.6I47 D48 N49 I61I47-I51 HydrophobicContact CG2-CD1 4.03Å; I47-I51 HydrophobicContact CG2-CG1 4.45Å; I47-I51 WeakPolarHBondContact O-CG1 3.37Å; I47-I51 PolarHBondContact O-N 3.01Å; D48-I51 WeakPolarHBondContact O-CB 3.36Å; D48-I51 PolarHBondContact O-N 3.23Å; N49-I51 VanDerWaalsContact C-N 3.32Å; I51-I61 HydrophobicContact CD1-CB 4.45Å; I51-I61 HydrophobicContact CD1-CG2 3.78Å; I51-I61 HydrophobicContact CG1-CB 3.62Å; I51-I61 HydrophobicContact CG1-CG2 3.51Å
52V93.8Very high92.7Very high124 Ų12463.7 Ų63.775%0.75236%0.364SS*.Hα-helixtrans-82.6-39.8-173.9178.90000112.4D48 N49D48-V52 WeakPolarHBondContact O-CG2 3.39Å; D48-V52 PolarHBondContact O-N 2.98Å; N49-V52 PolarHBondContact O-N 3.38Å
53A92.8Very high92.7Very high72 Ų7264.4 Ų64.460%0.59537%0.368SS*.  trans-138.772.3-173.500000111.3N49 G55N49-A53 CarbonylContact O-C 3.46Å; N49-A53 WeakPolarHBondContact O-CA 3.42Å; N49-A53 PolarHBondContact O-N 3.03Å; A53-G55 PolarHBondContact O-N 2.97Å
54P88.1Confident92.7Very high57 Ų5764 Ų6437%0.3737%0.367SS..  trans-66.4-21.7-176.123.6-32.9000114.1L50 T56 F57L50-P54 WeakPolarHBondContact O-CA 3.36Å; L50-P54 WeakPolarHBondContact O-CB 3.46Å; P54-T56 PolarHBondContact O-N 3.49Å; P54-F57 WeakPolarHBondContact O-CB 3.47Å; P54-F57 PolarHBondContact O-N 3.4Å
55G88.9Confident92.7Very high75 Ų7569.6 Ų69.677%0.77339%0.387SS*.THydrogen-bonded Turntrans60.7-119.9-176.900000111.6A53A53-G55 PolarHBondContact O-N 2.97Å
56T87.4Confident92.8Very high148 Ų14869 Ų6991%0.90838%0.382SS*.THydrogen-bonded Turntrans-89.41.4176.156.40000113.6P54 E58P54-T56 PolarHBondContact O-N 3.49Å; T56-E58 PolarHBondContact O-N 2.92Å
57F90.2Very high92.8Very high27 Ų2771.4 Ų71.412%0.11840%0.397CS..  trans-78115.6179.8-172.3-117.5000110.3L50 P54 V59 A99 L100 K103L50-F57 HydrophobicContact CD1-CD1 4.39Å; L50-F57 HydrophobicContact CD1-CE1 4.22Å; L50-F57 HydrophobicContact CD2-CB 4.35Å; L50-F57 HydrophobicContact CD2-CD1 3.94Å; L50-F57 HydrophobicContact CD2-CG 4.26Å; P54-F57 WeakPolarHBondContact O-CB 3.47Å; P54-F57 PolarHBondContact O-N 3.4Å; F57-V59 HydrophobicContact CD1-CB 4.25Å; F57-V59 HydrophobicContact CE1-CB 3.53Å; F57-V59 HydrophobicContact CE1-CG1 4.39Å; F57-V59 HydrophobicContact CE1-CG2 4.19Å; F57-V59 HydrophobicContact CE2-CB 4.36Å; F57-V59 HydrophobicContact CE2-CG2 4.13Å; F57-V59 HydrophobicContact CZ-CB 3.56Å; F57-V59 HydrophobicContact CZ-CG1 4.46Å; F57-V59 HydrophobicContact CZ-CG2 3.7Å; F57-V59 PolarHBondContact O-N 3.35Å; F57-A99 HydrophobicContact CE2-CB 4.25Å; F57-L100 HydrophobicContact CE1-CD1 3.94Å; F57-L100 HydrophobicContact CZ-CB 4.03Å; F57-L100 HydrophobicContact CZ-CD1 3.9Å; F57-K103 HydrophobicContact CD2-CB 4.11Å; F57-K103 HydrophobicContact CD2-CD 4.2Å; F57-K103 HydrophobicContact CD2-CG 3.92Å; F57-K103 HydrophobicContact CE2-CB 3.72Å; F57-K103 HydrophobicContact CE2-CG 4.03Å; F57-K103 HydrophobicContact CG-CG 4.33Å; F57-K103 HydrophobicContact CZ-CB 4.18Å
58E87.4Confident92.8Very high177 Ų17772.4 Ų72.483%0.82741%0.409SS*.  trans-79.4-17.2-170.6-62.2-173.4162.500114.2T56 Q60T56-E58 PolarHBondContact O-N 2.92Å; E58-Q60 PolarHBondContact O-N 3.48Å
59V91.9Very high92.7Very high10 Ų1070.9 Ų70.96%0.06140%0.403CS..  trans-77.7115.6-177.5-177.70000109.9F57 I61 L88 A96 A99F57-V59 HydrophobicContact CD1-CB 4.25Å; F57-V59 HydrophobicContact CE1-CB 3.53Å; F57-V59 HydrophobicContact CE1-CG1 4.39Å; F57-V59 HydrophobicContact CE1-CG2 4.19Å; F57-V59 HydrophobicContact CE2-CB 4.36Å; F57-V59 HydrophobicContact CE2-CG2 4.13Å; F57-V59 HydrophobicContact CZ-CB 3.56Å; F57-V59 HydrophobicContact CZ-CG1 4.46Å; F57-V59 HydrophobicContact CZ-CG2 3.7Å; F57-V59 PolarHBondContact O-N 3.35Å; V59-I61 PolarHBondContact O-N 3.43Å; V59-L88 HydrophobicContact CG1-CD1 4.01Å; V59-L88 HydrophobicContact CG1-CD2 3.68Å; V59-L88 HydrophobicContact CG1-CG 4.46Å; V59-A96 HydrophobicContact CG1-CB 4.28Å; V59-A96 HydrophobicContact CG2-CB 3.92Å; V59-A99 HydrophobicContact CG2-CB 4.36Å
60Q90.8Very high92.7Very high114 Ų11468.2 Ų68.253%0.53339%0.386SS..  trans-85.9111.2179.8-63.4-174.82.100111.2E58 L88 K89E58-Q60 PolarHBondContact O-N 3.48Å; Q60-L88 WeakPolarHBondContact O-CA 3.4Å; Q60-K89 HydrophobicContact CB-CB 4.03Å; Q60-K89 HydrophobicContact CB-CD 4.31Å; Q60-K89 HydrophobicContact CB-CG 4.4Å; Q60-K89 PolarHBondContact O-N 3.24Å
61I95.4Very high92.8Very high6 Ų673.7 Ų73.73%0.03141%0.409CS..EExtended strand (participates in β ladder)trans-92.1134.9177.3-51.9171.6000108.8I47 L50 I51 V59 V86 L88 L100I47-I61 HydrophobicContact CG2-CD1 4.14Å; I47-I61 HydrophobicContact CG2-CG2 4.26Å; L50-I61 HydrophobicContact CB-CD1 3.96Å; L50-I61 HydrophobicContact CD1-CD1 4.44Å; I51-I61 HydrophobicContact CD1-CB 4.45Å; I51-I61 HydrophobicContact CD1-CG2 3.78Å; I51-I61 HydrophobicContact CG1-CB 3.62Å; I51-I61 HydrophobicContact CG1-CG2 3.51Å; V59-I61 PolarHBondContact O-N 3.43Å; I61-V86 HydrophobicContact CG1-CG1 4.42Å; I61-V86 HydrophobicContact CG2-CG1 3.61Å; I61-L88 HydrophobicContact CB-CD2 4.44Å; I61-L88 HydrophobicContact CG1-CD2 3.92Å; I61-L100 HydrophobicContact CD1-CD1 3.67Å
62E94.8Very high92.7Very high108 Ų10879 Ų7951%0.50543%0.43SS..EExtended strand (participates in β ladder)trans-89.4-54.3175.2-172.7170.1179.900111I87 K89E62-I87 HydrophobicContact CB-CG2 4.11Å; E62-I87 WeakPolarHBondContact CB-O 3.16Å; E62-I87 PolarHBondContact N-O 3.24Å; E62-K89 HydrophobicContact CB-CG 3.74Å; E62-K89 HydrophobicContact CG-CG 4.32Å
63E94.1Very high92.6Very high59 Ų5976.4 Ų76.428%0.27643%0.429SS..EExtended strand (participates in β ladder)trans-159.3165.3-179.562.7174150.400111.3R65 I87E63-R65 IonicContact OE1-CZ 2.64Å; E63-R65 IonicContact OE1-NE 2.77Å; E63-R65 PolarHBondContact OE1-NE 2.82Å; E63-R65 IonicContact OE1-NH2 3.2Å; E63-R65 PolarHBondContact OE1-NH2 3.04Å; E63-R65 IonicContact OE2-CZ 3.24Å; E63-R65 IonicContact OE2-NE 2.75Å; E63-R65 PolarHBondContact OE2-NE 3.04Å; E63-R65 IonicContact OE2-NH2 3.46Å; E63-R65 PolarHBondContact OE2-NH2 2.92Å; E63-I87 HydrophobicContact CG-CB 3.84Å; E63-I87 HydrophobicContact CG-CD1 3.7Å; E63-I87 HydrophobicContact CG-CG1 4.14Å; E63-I87 HydrophobicContact CG-CG2 4.48Å; E63-I87 PolarHBondContact N-O 2.64Å; E63-I87 PolarHBondContact O-N 2.96Å; E63-I87 VanDerWaalsContact OE1-CD1 3.29Å; E63-I87 WeakPolarHBondContact OE1-CD1 3.34Å
64V95.3Very high92.6Very high25 Ų2577.1 Ų77.115%0.15243%0.426CS..EExtended strand (participates in β ladder)trans-123.8138.6170.462.10000110.1I47 L84 V85 V86I47-V64 HydrophobicContact CD1-CG2 4.08Å; I47-V64 HydrophobicContact CG2-CB 3.87Å; I47-V64 HydrophobicContact CG2-CG1 3.98Å; I47-V64 HydrophobicContact CG2-CG2 4.41Å; V64-L84 HydrophobicContact CG2-CB 4.37Å; V64-L84 HydrophobicContact CG2-CD2 4.31Å; V64-V85 CarbonylContact C-O 3.58Å; V64-V85 WeakPolarHBondContact CA-O 3.23Å; V64-V86 HydrophobicContact CG2-CG2 4.18Å
65R96.1Very high92.9Very high134 Ų13475.6 Ų75.651%0.50641%0.414SS..EExtended strand (participates in β ladder)trans-128.3125.4179.9-62.8-176-179.1179.64.5110.9E63 V67 V85E63-R65 IonicContact OE1-CZ 2.64Å; E63-R65 IonicContact OE1-NE 2.77Å; E63-R65 PolarHBondContact OE1-NE 2.82Å; E63-R65 IonicContact OE1-NH2 3.2Å; E63-R65 PolarHBondContact OE1-NH2 3.04Å; E63-R65 IonicContact OE2-CZ 3.24Å; E63-R65 IonicContact OE2-NE 2.75Å; E63-R65 PolarHBondContact OE2-NE 3.04Å; E63-R65 IonicContact OE2-NH2 3.46Å; E63-R65 PolarHBondContact OE2-NH2 2.92Å; R65-V67 HydrophobicContact CB-CG1 4.44Å; R65-V85 PolarHBondContact N-O 2.84Å; R65-V85 PolarHBondContact O-N 2.83Å
66Q94.8Very high93.1Very high66 Ų6674.9 Ų74.931%0.30840%0.395SS..EExtended strand (participates in β ladder)trans-72.1128.9167.1-66.2168.61600109.7V40 N44 Y70 K71 L84V40-Q66 HydrophobicContact CG1-CG 4.23Å; N44-Q66 PolarHBondContact ND2-NE2 3.06Å; Q66-Y70 HydrophobicContact CG-CE1 4.38Å; Q66-K71 HydrophobicContact CB-CB 4.36Å; Q66-K71 HydrophobicContact CB-CD 4.14Å; Q66-K71 WeakPolarHBondContact O-CG 3.26Å; Q66-L84 HydrophobicContact CB-CD2 4.24Å; Q66-L84 HydrophobicContact CG-CD2 3.47Å; Q66-L84 VanDerWaalsContact CG-CD2 3.47Å
67V95.6Very high93.3Very high54 Ų5470.4 Ų70.433%0.32737%0.367SS..EExtended strand (participates in β ladder)trans-133.8-167.1-180-57.80000110.7R65 K71 D83 V85R65-V67 HydrophobicContact CB-CG1 4.44Å; V67-K71 WeakPolarHBondContact O-CB 3.47Å; V67-K71 PolarHBondContact O-N 3.31Å; V67-D83 HydrophobicContact CG2-CB 3.74Å; V67-D83 PolarHBondContact N-O 2.92Å; V67-V85 HydrophobicContact CB-CG2 4.5Å; V67-V85 HydrophobicContact CG1-CG2 3.98Å; V67-V85 HydrophobicContact CG2-CG2 3.69Å
68G94.9Very high93.4Very high27 Ų2771.9 Ų71.928%0.27839%0.39SS..Hα-helixtrans72.2-162.2172.900000114.3Y70 K71 K72G68-Y70 VanDerWaalsContact C-N 3.33Å; G68-K71 PolarHBondContact O-N 2.96Å; G68-K72 WeakPolarHBondContact O-CG 3.46Å; G68-K72 PolarHBondContact O-N 2.78Å
69S93.3Very high93.5Very high38 Ų3869.4 Ų69.427%0.26638%0.379SS..Hα-helixtrans-64.2-38-177.752.70000112.1K72 G73 T74S69-K72 CarbonylContact O-C 3.58Å; S69-K72 PolarHBondContact O-N 3.4Å; S69-G73 PolarHBondContact O-N 2.87Å; S69-T74 PolarHBondContact O-N 2.9Å
70Y93.9Very high93.3Very high43 Ų4371.8 Ų71.817%0.16939%0.391CS..Hα-helixtrans-57.1-52.9176.1171.7-106.6000111.5I36 L37 V40 Q66 G68 K72 G73 M75 A82I36-Y70 HydrophobicContact CG2-CD2 3.36Å; I36-Y70 HydrophobicContact CG2-CE2 3.45Å; I36-Y70 VanDerWaalsContact CG2-CE2 3.45Å; I36-Y70 HydrophobicContact CG2-CG 4.27Å; L37-Y70 WeakPolarHBondContact CD1-OH 3.45Å; V40-Y70 HydrophobicContact CB-CE1 4.21Å; V40-Y70 HydrophobicContact CG1-CE1 3.68Å; V40-Y70 HydrophobicContact CG2-CD1 4.36Å; V40-Y70 HydrophobicContact CG2-CE1 4.02Å; Q66-Y70 HydrophobicContact CG-CE1 4.38Å; G68-Y70 VanDerWaalsContact C-N 3.33Å; Y70-K72 PolarHBondContact O-N 3.16Å; Y70-G73 PolarHBondContact O-N 3.07Å; Y70-M75 HydrophobicContact CD2-SD 3.69Å; Y70-M75 HydrophobicContact CG-SD 4.24Å; Y70-A82 HydrophobicContact CD1-CB 3.9Å; Y70-A82 HydrophobicContact CD2-CB 4.21Å; Y70-A82 HydrophobicContact CG-CB 3.64Å
71K94.2Very high93.4Very high132 Ų13270.5 Ų70.557%0.57439%0.39SS*.Hα-helixtrans-63-32.1179.4-178.257.9177.81760112.9Q66 V67 G68Q66-K71 HydrophobicContact CB-CB 4.36Å; Q66-K71 HydrophobicContact CB-CD 4.14Å; Q66-K71 WeakPolarHBondContact O-CG 3.26Å; V67-K71 WeakPolarHBondContact O-CB 3.47Å; V67-K71 PolarHBondContact O-N 3.31Å; G68-K71 PolarHBondContact O-N 2.96Å
72K93.5Very high93.3Very high162 Ų16271.5 Ų71.570%0.70440%0.4SS*.Hα-helixtrans-85.2-8.7-177.7-69.1-179.3179.5-178.90113.9G68 S69 Y70 T74G68-K72 WeakPolarHBondContact O-CG 3.46Å; G68-K72 PolarHBondContact O-N 2.78Å; S69-K72 CarbonylContact O-C 3.58Å; S69-K72 PolarHBondContact O-N 3.4Å; Y70-K72 PolarHBondContact O-N 3.16Å; K72-T74 HydrophobicContact CB-CG2 4.04Å; K72-T74 PolarHBondContact O-N 2.97Å
73G90.7Very high93.3Very high70 Ų7069.9 Ų69.972%0.72239%0.394SS*.THydrogen-bonded Turntrans66.424.3-17300000113.2S69 Y70S69-G73 PolarHBondContact O-N 2.87Å; Y70-G73 PolarHBondContact O-N 3.07Å
74T92.6Very high93.4Very high88 Ų8869.4 Ų69.454%0.5439%0.394SS..  trans-111.525.2-178.966.40000111.8S69 K72S69-T74 PolarHBondContact O-N 2.9Å; K72-T74 HydrophobicContact CB-CG2 4.04Å; K72-T74 PolarHBondContact O-N 2.97Å
75M94.2Very high93.4Very high24 Ų2471.4 Ų71.412%0.11841%0.406CS..  trans-65.5151.2169.2-71.217356.600109.7P28 I36 Y70P28-M75 WeakPolarHBondContact CD-O 3.47Å; P28-M75 HydrophobicContact CG-CB 3.69Å; P28-M75 WeakPolarHBondContact CG-O 3.37Å; I36-M75 HydrophobicContact CB-CE 4.41Å; I36-M75 HydrophobicContact CD1-CE 3.96Å; I36-M75 HydrophobicContact CG1-CE 3.91Å; I36-M75 HydrophobicContact CG2-CE 4.2Å; I36-M75 HydrophobicContact CG2-SD 4.22Å; Y70-M75 HydrophobicContact CD2-SD 3.69Å; Y70-M75 HydrophobicContact CG-SD 4.24Å
76T93.8Very high93.4Very high61 Ų6167.2 Ų67.237%0.37440%0.395SS..  trans-116150.8175.4540000109.8L26 H79L26-T76 CarbonylContact O-C 3.59Å; L26-T76 VanDerWaalsContact O-CA 3.23Å; L26-T76 WeakPolarHBondContact O-CA 3.33Å; T76-H79 PolarHBondContact O-N 2.92Å
77T92.7Very high93.4Very high53 Ų5366.3 Ų66.333%0.32539%0.392SS..THydrogen-bonded Turntrans-53.8145.4176.3-167.60000112D25 L26 E32 H79D25-T77 VanDerWaalsContact O-CG2 3.31Å; D25-T77 WeakPolarHBondContact O-CG2 3.45Å; L26-T77 PolarHBondContact O-N 2.95Å; E32-T77 PolarHBondContact OE2-OG1 3.32Å; T77-H79 PolarHBondContact O-N 2.85Å; T77-H79 VanDerWaalsContact O-N 3.16Å; T77-H79 PolarHBondContact O-ND1 3.23Å
78G91.1Very high93.4Very high58 Ų5864.7 Ų64.760%0.59838%0.381SS*.THydrogen-bonded Turntrans72.2-4.3-174.500000115.1E32E32-G78 PolarHBondContact OE1-N 3.39Å
79H90.9Very high93.4Very high126 Ų12669.7 Ų69.758%0.58340%0.395SS*.  trans-12067.1178.4-63.776.7000110.2T76 T77 V81T76-H79 PolarHBondContact O-N 2.92Å; T77-H79 PolarHBondContact O-N 2.85Å; T77-H79 VanDerWaalsContact O-N 3.16Å; T77-H79 PolarHBondContact O-ND1 3.23Å; H79-V81 VanDerWaalsContact C-N 3.32Å; H79-V81 PolarHBondContact O-N 3.02Å
80N87.3Confident93.2Very high60 Ų6071.6 Ų71.632%0.32140%0.402SS..  trans-86.178.5-178.1-56.6-29.7000108.6E32 I36E32-N80 WeakPolarHBondContact CB-OD1 3.31Å; E32-N80 VanDerWaalsContact CG-ND2 3.26Å; E32-N80 WeakPolarHBondContact CG-ND2 3.29Å; E32-N80 PolarHBondContact OE1-ND2 2.98Å; E32-N80 PolarHBondContact OE1-OD1 3.07Å; I36-N80 HydrophobicContact CD1-CB 3.79Å; I36-N80 WeakPolarHBondContact CD1-O 3.4Å; I36-N80 HydrophobicContact CG1-CB 3.76Å
81V91.4Very high93.2Very high86 Ų8676.5 Ų76.552%0.52143%0.43SS..  trans-130.8137.9175.7-177.90000109.1H79H79-V81 VanDerWaalsContact C-N 3.32Å; H79-V81 PolarHBondContact O-N 3.02Å
82A94.4Very high93.2Very high28 Ų2874.2 Ų74.223%0.23143%0.429CS..  trans-124.7137.2172.900000110I36 V40 Y70I36-A82 HydrophobicContact CD1-CB 4.49Å; I36-A82 HydrophobicContact CG2-CB 4.12Å; V40-A82 HydrophobicContact CG2-CB 3.32Å; Y70-A82 HydrophobicContact CD1-CB 3.9Å; Y70-A82 HydrophobicContact CD2-CB 4.21Å; Y70-A82 HydrophobicContact CG-CB 3.64Å
83D94.7Very high93.2Very high73 Ų7369.3 Ų69.339%0.3941%0.412SS..EExtended strand (participates in β ladder)trans-106.2130.2-176.4-57.5-64.5000110.7V67V67-D83 HydrophobicContact CG2-CB 3.74Å; V67-D83 PolarHBondContact N-O 2.92Å
84L95.1Very high93.4Very high49 Ų4972.6 Ų72.626%0.25741%0.413SS..EExtended strand (participates in β ladder)trans-120.2131.6175.6-64.2169000109.1V40 I43 V64 Q66V40-L84 HydrophobicContact CG1-CD2 4.39Å; I43-L84 HydrophobicContact CB-CD1 4.15Å; I43-L84 HydrophobicContact CG2-CD1 3.47Å; I43-L84 VanDerWaalsContact CG2-CD1 3.47Å; V64-L84 HydrophobicContact CG2-CB 4.37Å; V64-L84 HydrophobicContact CG2-CD2 4.31Å; Q66-L84 HydrophobicContact CB-CD2 4.24Å; Q66-L84 HydrophobicContact CG-CD2 3.47Å; Q66-L84 VanDerWaalsContact CG-CD2 3.47Å
85V95.9Very high93.5Very high67 Ų6774.5 Ų74.541%0.40642%0.415SS..EExtended strand (participates in β ladder)trans-102.5119.8170.4177.20000107.8V64 R65 V67 I87V64-V85 CarbonylContact C-O 3.58Å; V64-V85 WeakPolarHBondContact CA-O 3.23Å; R65-V85 PolarHBondContact N-O 2.84Å; R65-V85 PolarHBondContact O-N 2.83Å; V67-V85 HydrophobicContact CB-CG2 4.5Å; V67-V85 HydrophobicContact CG1-CG2 3.98Å; V67-V85 HydrophobicContact CG2-CG2 3.69Å; V85-I87 HydrophobicContact CG1-CG1 4.2Å
86V95.5Very high93.4Very high46 Ų4673.8 Ų73.828%0.27941%0.413SS..EExtended strand (participates in β ladder)trans-101123.4173.9-1740000108.6I47 I61 V64 L88 L100I47-V86 HydrophobicContact CD1-CG2 3.98Å; I61-V86 HydrophobicContact CG1-CG1 4.42Å; I61-V86 HydrophobicContact CG2-CG1 3.61Å; V64-V86 HydrophobicContact CG2-CG2 4.18Å; V86-L88 HydrophobicContact CG1-CD2 4.12Å; V86-L100 HydrophobicContact CB-CD2 4.34Å; V86-L100 HydrophobicContact CG1-CD2 3.9Å; V86-L100 HydrophobicContact CG2-CD2 4.46Å
87I95.5Very high93.4Very high48 Ų4874.8 Ų74.825%0.24642%0.419CS..EExtended strand (participates in β ladder)trans-100.9123.6179.4-61.8174.2000107.4E62 E63 V85E62-I87 HydrophobicContact CB-CG2 4.11Å; E62-I87 WeakPolarHBondContact CB-O 3.16Å; E62-I87 PolarHBondContact N-O 3.24Å; E63-I87 HydrophobicContact CG-CB 3.84Å; E63-I87 HydrophobicContact CG-CD1 3.7Å; E63-I87 HydrophobicContact CG-CG1 4.14Å; E63-I87 HydrophobicContact CG-CG2 4.48Å; E63-I87 PolarHBondContact N-O 2.64Å; E63-I87 PolarHBondContact O-N 2.96Å; E63-I87 VanDerWaalsContact OE1-CD1 3.29Å; E63-I87 WeakPolarHBondContact OE1-CD1 3.34Å; V85-I87 HydrophobicContact CG1-CG1 4.2Å
88L95.5Very high93.5Very high20 Ų2074.7 Ų74.711%0.10542%0.424CS..EExtended strand (participates in β ladder)trans-97.2145.1178.9-58-176000110V59 Q60 I61 V86 I90 P92 A96V59-L88 HydrophobicContact CG1-CD1 4.01Å; V59-L88 HydrophobicContact CG1-CD2 3.68Å; V59-L88 HydrophobicContact CG1-CG 4.46Å; Q60-L88 WeakPolarHBondContact O-CA 3.4Å; I61-L88 HydrophobicContact CB-CD2 4.44Å; I61-L88 HydrophobicContact CG1-CD2 3.92Å; V86-L88 HydrophobicContact CG1-CD2 4.12Å; L88-I90 HydrophobicContact CB-CG1 4.35Å; L88-I90 WeakPolarHBondContact CB-O 3.43Å; L88-I90 PolarHBondContact O-N 3.45Å; L88-P92 HydrophobicContact CD1-CB 4.15Å; L88-P92 HydrophobicContact CD1-CG 4.33Å; L88-A96 HydrophobicContact CD1-CB 4.46Å
89K94.4Very high93.7Very high132 Ų13273.9 Ų73.957%0.57441%0.411SS*.SBendtrans-70-15.9173.1-65.8-173.1-179.1176.30112.9Q60 E62Q60-K89 HydrophobicContact CB-CB 4.03Å; Q60-K89 HydrophobicContact CB-CD 4.31Å; Q60-K89 HydrophobicContact CB-CG 4.4Å; Q60-K89 PolarHBondContact O-N 3.24Å; E62-K89 HydrophobicContact CB-CG 3.74Å; E62-K89 HydrophobicContact CG-CG 4.32Å
90I90.2Very high93.8Very high78 Ų7868.8 Ų68.840%0.439%0.389SS..SBendtrans-113163.617962.9169.4000109.9L88 P92L88-I90 HydrophobicContact CB-CG1 4.35Å; L88-I90 WeakPolarHBondContact CB-O 3.43Å; L88-I90 PolarHBondContact O-N 3.45Å; I90-P92 WeakPolarHBondContact O-CD 3.36Å
91L93.6Very high94.1Very high145 Ų14567.7 Ų67.776%0.75939%0.391SS*.  trans-56.4125.9171.3-174.372.8000109.6T93L91-T93 PolarHBondContact O-N 3.41Å; L91-T93 VanDerWaalsContact O-N 3.11Å
92P93.4Very high94.3Very high84 Ų8469.2 Ų69.255%0.54540%0.396SS..  trans-64.3114.5177.2-21.933.4000110.8L88 I90 V97L88-P92 HydrophobicContact CD1-CB 4.15Å; L88-P92 HydrophobicContact CD1-CG 4.33Å; I90-P92 WeakPolarHBondContact O-CD 3.36Å; P92-V97 HydrophobicContact CB-CG2 4.43Å
93T95Very high94.3Very high59 Ų5970.9 Ų70.936%0.36240%0.399SS..  trans-101.2160.6170.4820000110.4L91 E95 A96 V97L91-T93 PolarHBondContact O-N 3.41Å; L91-T93 VanDerWaalsContact O-N 3.11Å; T93-E95 VanDerWaalsContact CB-OE2 3.24Å; T93-E95 WeakPolarHBondContact CB-OE2 3.5Å; T93-E95 PolarHBondContact O-N 2.94Å; T93-E95 PolarHBondContact OG1-N 3.47Å; T93-E95 PolarHBondContact OG1-OE2 3.38Å; T93-A96 PolarHBondContact O-N 3.23Å; T93-A96 PolarHBondContact OG1-N 2.99Å; T93-V97 WeakPolarHBondContact O-CG2 3.4Å; T93-V97 PolarHBondContact O-N 2.99Å
94L94.9Very high94.2Very high139 Ų13968.3 Ų68.373%0.72839%0.386SS*.Hα-helixtrans-57.7-41.1178-174.374.6000111.1V97 A98L94-V97 PolarHBondContact O-N 3.32Å; L94-A98 WeakPolarHBondContact O-CB 3.22Å; L94-A98 PolarHBondContact O-N 2.83Å
95E93.9Very high94.1Very high128 Ų12869.1 Ų69.160%0.59839%0.392SS*.Hα-helixtrans-66.3-44.5-179-56.672.3-155.600111T93 V97 A98 A99T93-E95 VanDerWaalsContact CB-OE2 3.24Å; T93-E95 WeakPolarHBondContact CB-OE2 3.5Å; T93-E95 PolarHBondContact O-N 2.94Å; T93-E95 PolarHBondContact OG1-N 3.47Å; T93-E95 PolarHBondContact OG1-OE2 3.38Å; E95-V97 PolarHBondContact O-N 3.27Å; E95-A98 PolarHBondContact O-N 3.22Å; E95-A99 VanDerWaalsContact O-CB 3.25Å; E95-A99 WeakPolarHBondContact O-CB 3.45Å; E95-A99 PolarHBondContact O-N 3.19Å
96A92.7Very high94Very high9 Ų971.4 Ų71.47%0.07440%0.398CS..Hα-helixtrans-63.5-42.3177.800000111.6V59 L88 T93 L100V59-A96 HydrophobicContact CG1-CB 4.28Å; V59-A96 HydrophobicContact CG2-CB 3.92Å; L88-A96 HydrophobicContact CD1-CB 4.46Å; T93-A96 PolarHBondContact O-N 3.23Å; T93-A96 PolarHBondContact OG1-N 2.99Å; A96-L100 WeakPolarHBondContact O-CB 3.49Å; A96-L100 PolarHBondContact O-N 3.34Å
97V93.8Very high93.9Very high82 Ų8270.3 Ų70.350%0.49739%0.393SS..Hα-helixtrans-66.4-43.5177.6174.90000111.1P92 T93 L94 E95 L100 G101P92-V97 HydrophobicContact CB-CG2 4.43Å; T93-V97 WeakPolarHBondContact O-CG2 3.4Å; T93-V97 PolarHBondContact O-N 2.99Å; L94-V97 PolarHBondContact O-N 3.32Å; E95-V97 PolarHBondContact O-N 3.27Å; V97-L100 PolarHBondContact O-N 2.86Å; V97-G101 PolarHBondContact O-N 3.15Å
98A94.8Very high93.7Very high52 Ų5269 Ų6943%0.4339%0.386SS..Hα-helixtrans-64.6-43.117700000112.1L94 E95 L100 G101 N102L94-A98 WeakPolarHBondContact O-CB 3.22Å; L94-A98 PolarHBondContact O-N 2.83Å; E95-A98 PolarHBondContact O-N 3.22Å; A98-L100 VanDerWaalsContact C-N 3.34Å; A98-L100 PolarHBondContact O-N 3.25Å; A98-G101 PolarHBondContact O-N 2.82Å; A98-N102 PolarHBondContact O-N 3.07Å; A98-N102 PolarHBondContact O-ND2 3.4Å
99A94.1Very high93.4Very high40 Ų4075.5 Ų75.533%0.33141%0.409SS..Hα-helixtrans-61.4-42.5176.100000111.6F57 V59 E95 N102 K103F57-A99 HydrophobicContact CE2-CB 4.25Å; V59-A99 HydrophobicContact CG2-CB 4.36Å; E95-A99 VanDerWaalsContact O-CB 3.25Å; E95-A99 WeakPolarHBondContact O-CB 3.45Å; E95-A99 PolarHBondContact O-N 3.19Å; A99-N102 PolarHBondContact O-N 3.18Å; A99-K103 WeakPolarHBondContact O-CB 3.4Å; A99-K103 PolarHBondContact O-N 2.93Å
100L94.4Very high93.1Very high20 Ų2073.3 Ų73.311%0.10542%0.416CS..Hα-helixtrans-61.7-48.3174.6179.262.9000112.1L50 F57 I61 V86 A96 V97 A98 N102 K103 V104L50-L100 HydrophobicContact CD1-CD1 4.13Å; F57-L100 HydrophobicContact CE1-CD1 3.94Å; F57-L100 HydrophobicContact CZ-CB 4.03Å; F57-L100 HydrophobicContact CZ-CD1 3.9Å; I61-L100 HydrophobicContact CD1-CD1 3.67Å; V86-L100 HydrophobicContact CB-CD2 4.34Å; V86-L100 HydrophobicContact CG1-CD2 3.9Å; V86-L100 HydrophobicContact CG2-CD2 4.46Å; A96-L100 WeakPolarHBondContact O-CB 3.49Å; A96-L100 PolarHBondContact O-N 3.34Å; V97-L100 PolarHBondContact O-N 2.86Å; A98-L100 VanDerWaalsContact C-N 3.34Å; A98-L100 PolarHBondContact O-N 3.25Å; L100-N102 VanDerWaalsContact C-N 3.34Å; L100-N102 PolarHBondContact O-N 3.36Å; L100-K103 PolarHBondContact O-N 3.32Å; L100-V104 HydrophobicContact CD1-CG2 4.11Å; L100-V104 HydrophobicContact CG-CG2 4.48Å; L100-V104 WeakPolarHBondContact O-CG2 3.35Å; L100-V104 PolarHBondContact O-N 3.48Å
101G93.8Very high92.8Very high37 Ų3775 Ų7538%0.38142%0.422SS..Hα-helixtrans-56.8-47.7177.400000112.1V97 A98 K103 V104 V105V97-G101 PolarHBondContact O-N 3.15Å; A98-G101 PolarHBondContact O-N 2.82Å; G101-K103 PolarHBondContact O-N 2.9Å; G101-V104 PolarHBondContact O-N 2.86Å; G101-V105 WeakPolarHBondContact O-CG2 3.48Å; G101-V105 PolarHBondContact O-N 3.35Å; G101-V105 VanDerWaalsContact O-N 3.08Å
102N94.7Very high92.2Very high117 Ų11770 Ų7063%0.62640%0.396SS*.Hα-helixtrans-62.1-43.3177.3-71.1-26.9000112.1A98 A99 L100 V104 V105 E106A98-N102 PolarHBondContact O-N 3.07Å; A98-N102 PolarHBondContact O-ND2 3.4Å; A99-N102 PolarHBondContact O-N 3.18Å; L100-N102 VanDerWaalsContact C-N 3.34Å; L100-N102 PolarHBondContact O-N 3.36Å; N102-V104 PolarHBondContact O-N 2.99Å; N102-V105 PolarHBondContact O-N 2.94Å; N102-E106 WeakPolarHBondContact O-CB 3.38Å; N102-E106 PolarHBondContact O-N 3.28Å
103K94.1Very high91.2Very high64 Ų6471.5 Ų71.528%0.27841%0.406SS..Hα-helixtrans-64.9-39.8180-171.270.3-152.1160.60112.2L50 F57 A99 L100 G101 E106 S107L50-K103 HydrophobicContact CD1-CG 4.08Å; L50-K103 HydrophobicContact CD2-CG 4.06Å; F57-K103 HydrophobicContact CD2-CB 4.11Å; F57-K103 HydrophobicContact CD2-CD 4.2Å; F57-K103 HydrophobicContact CD2-CG 3.92Å; F57-K103 HydrophobicContact CE2-CB 3.72Å; F57-K103 HydrophobicContact CE2-CG 4.03Å; F57-K103 HydrophobicContact CG-CG 4.33Å; F57-K103 HydrophobicContact CZ-CB 4.18Å; A99-K103 WeakPolarHBondContact O-CB 3.4Å; A99-K103 PolarHBondContact O-N 2.93Å; L100-K103 PolarHBondContact O-N 3.32Å; G101-K103 PolarHBondContact O-N 2.9Å; K103-E106 IonicContact NZ-OE2 2.82Å; K103-E106 PolarHBondContact NZ-OE2 3.49Å; K103-S107 VanDerWaalsContact O-CB 3.31Å; K103-S107 WeakPolarHBondContact O-CB 3.35Å; K103-S107 PolarHBondContact O-N 3.01Å; K103-S107 PolarHBondContact O-OG 3.47Å
104V93.8Very high90Very high19 Ų1973.8 Ų73.812%0.11542%0.424CS..Hα-helixtrans-63.6-48.2176.5171.30000110.4I43 V46 I47 L100 G101 N102 E106 S107 L108I43-V104 HydrophobicContact CG2-CG1 4.38Å; V46-V104 HydrophobicContact CG1-CB 4.45Å; V46-V104 HydrophobicContact CG1-CG1 4.47Å; V46-V104 HydrophobicContact CG1-CG2 4.18Å; I47-V104 HydrophobicContact CG1-CG2 4.24Å; L100-V104 HydrophobicContact CD1-CG2 4.11Å; L100-V104 HydrophobicContact CG-CG2 4.48Å; L100-V104 WeakPolarHBondContact O-CG2 3.35Å; L100-V104 PolarHBondContact O-N 3.48Å; G101-V104 PolarHBondContact O-N 2.86Å; N102-V104 PolarHBondContact O-N 2.99Å; V104-E106 PolarHBondContact O-N 3.07Å; V104-S107 PolarHBondContact O-N 3.29Å; V104-L108 HydrophobicContact CG1-CD1 3.88Å; V104-L108 HydrophobicContact CG1-CG 4.38Å; V104-L108 WeakPolarHBondContact O-CB 3.43Å; V104-L108 WeakPolarHBondContact O-CG 3.44Å; V104-L108 PolarHBondContact O-N 3.47Å
105V93.3Very high88.3Confident66 Ų6672.9 Ų72.940%0.442%0.416SS..Hα-helixtrans-61.9-44.6178.5173.10000111.8G101 N102 S107 L108 R109G101-V105 WeakPolarHBondContact O-CG2 3.48Å; G101-V105 PolarHBondContact O-N 3.35Å; G101-V105 VanDerWaalsContact O-N 3.08Å; N102-V105 PolarHBondContact O-N 2.94Å; V105-S107 VanDerWaalsContact C-N 3.35Å; V105-S107 PolarHBondContact O-N 3.29Å; V105-L108 PolarHBondContact O-N 2.96Å; V105-R109 WeakPolarHBondContact O-CG 3.39Å; V105-R109 PolarHBondContact O-N 3.29Å
106E93.3Very high88.1Confident114 Ų11470.1 Ų70.153%0.53341%0.407SS..Hα-helixtrans-59.5-46.4176.4-175.1-167.8-161.600111.3N102 K103 V104 R109 A110N102-E106 WeakPolarHBondContact O-CB 3.38Å; N102-E106 PolarHBondContact O-N 3.28Å; K103-E106 IonicContact NZ-OE2 2.82Å; K103-E106 PolarHBondContact NZ-OE2 3.49Å; V104-E106 PolarHBondContact O-N 3.07Å; E106-R109 PolarHBondContact O-N 3.15Å; E106-A110 WeakPolarHBondContact O-CB 3.47Å; E106-A110 PolarHBondContact O-N 2.93Å
107S92.1Very high87.8Confident23 Ų2373.3 Ų73.316%0.16143%0.425CS..Hα-helixtrans-68.3-37.1-178-55.20000112.2K103 V104 V105 Q111K103-S107 VanDerWaalsContact O-CB 3.31Å; K103-S107 WeakPolarHBondContact O-CB 3.35Å; K103-S107 PolarHBondContact O-N 3.01Å; K103-S107 PolarHBondContact O-OG 3.47Å; V104-S107 PolarHBondContact O-N 3.29Å; V105-S107 VanDerWaalsContact C-N 3.35Å; V105-S107 PolarHBondContact O-N 3.29Å; S107-Q111 WeakPolarHBondContact O-CG 3.49Å; S107-Q111 PolarHBondContact O-N 3.23Å
108L91.3Very high87.5Confident20 Ų2072.8 Ų72.811%0.10542%0.42CS..Hα-helixtrans-63.9-50.5174.3-76.1170.5000111.2K42 I43 V46 V104 V105 A110 Q111 D112K42-L108 HydrophobicContact CB-CD2 3.64Å; I43-L108 HydrophobicContact CG1-CD1 3.88Å; I43-L108 HydrophobicContact CG1-CD2 4.41Å; V46-L108 HydrophobicContact CG2-CD2 4.11Å; V46-L108 HydrophobicContact CG2-CG 4.32Å; V104-L108 HydrophobicContact CG1-CD1 3.88Å; V104-L108 HydrophobicContact CG1-CG 4.38Å; V104-L108 WeakPolarHBondContact O-CB 3.43Å; V104-L108 WeakPolarHBondContact O-CG 3.44Å; V104-L108 PolarHBondContact O-N 3.47Å; V105-L108 PolarHBondContact O-N 2.96Å; L108-A110 PolarHBondContact O-N 2.92Å; L108-Q111 PolarHBondContact O-N 2.89Å; L108-D112 PolarHBondContact O-N 2.61Å
109R90.4Very high87.1Confident158 Ų15874.1 Ų74.160%0.59642%0.42SS*.Hα-helixtrans-61.9-32.3179-73.3177.9176.5173.52113.3V105 E106 Q111 D112 P113V105-R109 WeakPolarHBondContact O-CG 3.39Å; V105-R109 PolarHBondContact O-N 3.29Å; E106-R109 PolarHBondContact O-N 3.15Å; R109-Q111 VanDerWaalsContact C-N 3.35Å; R109-D112 CarbonylContact O-C 3.49Å; R109-P113 WeakPolarHBondContact O-CA 3.46Å
110A88.7Confident86.6Confident85 Ų8576.2 Ų76.270%0.70243%0.426SS*.Hα-helixtrans-69.3-33.1175.100000112.5E106 L108E106-A110 WeakPolarHBondContact O-CB 3.47Å; E106-A110 PolarHBondContact O-N 2.93Å; L108-A110 PolarHBondContact O-N 2.92Å
111Q83Confident86.1Confident113 Ų11379.9 Ų79.953%0.52845%0.447SS..Hα-helixtrans-82.1-35.9177-69.5174.628.900112.2S107 L108 R109S107-Q111 WeakPolarHBondContact O-CG 3.49Å; S107-Q111 PolarHBondContact O-N 3.23Å; L108-Q111 PolarHBondContact O-N 2.89Å; R109-Q111 VanDerWaalsContact C-N 3.35Å
112D80Confident85.5Confident40 Ų4083 Ų8321%0.21445%0.452CS..  trans-143.896-177-166.3-15.2000110.3K42 L108 R109 S114 E115K42-D112 IonicContact NZ-OD2 3.19Å; K42-D112 PolarHBondContact NZ-OD2 3Å; L108-D112 PolarHBondContact O-N 2.61Å; R109-D112 CarbonylContact O-C 3.49Å; D112-S114 PolarHBondContact O-N 3.3Å; D112-S114 VanDerWaalsContact O-N 3.11Å; D112-S114 PolarHBondContact OD1-N 3.47Å; D112-S114 PolarHBondContact OD1-OG 3.44Å; D112-E115 PolarHBondContact O-N 3.31Å
113P74.1Confident84.8Confident117 Ų11780.4 Ų80.476%0.7644%0.438SS*.THydrogen-bonded Turntrans-67.6-8.8-178.3-20.332000114.4R109R109-P113 WeakPolarHBondContact O-CA 3.46Å
114S70Confident84.1Confident107 Ų10781.8 Ų81.875%0.74845%0.452SS*.THydrogen-bonded Turntrans-92-6.6-176.370.30000114.2D112D112-S114 PolarHBondContact O-N 3.3Å; D112-S114 VanDerWaalsContact O-N 3.11Å; D112-S114 PolarHBondContact OD1-N 3.47Å; D112-S114 PolarHBondContact OD1-OG 3.44Å
115E59Low83.2Confident119 Ų11987.5 Ų87.556%0.55648%0.482SS*.  trans-94.70172.4-96.6-167.4-15900114.4L39 K42 D112L39-E115 WeakPolarHBondContact CD1-OE2 3.22Å; K42-E115 IonicContact NZ-OE1 2.78Å; K42-E115 PolarHBondContact NZ-OE1 2.77Å; D112-E115 PolarHBondContact O-N 3.31Å

Retrieved 115 of 115 residues in 46.4 ms (Link to these results)