A0A3Q0KLL3_SCHMA Loading...

Putative malate dehydrogenase

AlphaFold DB , UniProt , Accession A0A3Q0KLL3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 384 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
1M29.5Very low28.3Very low234 Ų234173.5 Ų173.5100%1.15383%0.827SS**  094.60-166172.1-179.500107.2L3M1-L3 PolarHBondContact O-N 3.11Å
2V27.6Very low28.7Very low135 Ų135164.6 Ų164.682%0.81882%0.815SS**  trans-74.8106-173.8178.40000108.3R4V2-R4 VanDerWaalsContact C-N 3.31Å; V2-R4 PolarHBondContact O-N 2.75Å
3L25.6Very low29.5Very low153 Ų153155.7 Ų155.780%0.80177%0.773SS**  trans-63.191.7171.1-89.7127.4000108.9M1 Y5M1-L3 PolarHBondContact O-N 3.11Å; L3-Y5 PolarHBondContact O-N 3.33Å; L3-Y5 VanDerWaalsContact O-N 3.16Å
4R25Very low30.4Very low223 Ų223162.7 Ų162.784%0.84279%0.786SS**  trans-68.9105.1166-75.6-174173.2-166.4-1.6107.6V2 R6V2-R4 VanDerWaalsContact C-N 3.31Å; V2-R4 PolarHBondContact O-N 2.75Å; R4-R6 VanDerWaalsContact C-N 3.28Å; R4-R6 PolarHBondContact O-N 2.91Å
5Y27.1Very low32Very low213 Ų213157.7 Ų157.784%0.83579%0.794SS**  trans-56.792.5164.1-77.9-91.8000108.8L3 F7L3-Y5 PolarHBondContact O-N 3.33Å; L3-Y5 VanDerWaalsContact O-N 3.16Å; Y5-F7 PolarHBondContact O-N 2.87Å; Y5-F7 VanDerWaalsContact O-N 3.11Å
6R24.6Very low33.7Very low209 Ų209152.2 Ų152.279%0.78976%0.761SS**  trans-72.997167.5-96.3-177.8164.4-175.9-4107.1R4 F8R4-R6 VanDerWaalsContact C-N 3.28Å; R4-R6 PolarHBondContact O-N 2.91Å; R6-F8 PolarHBondContact O-N 2.77Å
7F30.1Very low35.7Very low201 Ų201153.6 Ų153.688%0.88276%0.761SS**  trans-58.6102.7157.2-85.2-91.7000107.3Y5 G9Y5-F7 PolarHBondContact O-N 2.87Å; Y5-F7 VanDerWaalsContact O-N 3.11Å; F7-G9 VanDerWaalsContact C-N 3.26Å; F7-G9 PolarHBondContact O-N 3.43Å
8F29Very low37.8Very low167 Ų167147.6 Ų147.673%0.73273%0.732SS**  trans-67.891167.9-86.9-88.1000108R6 V10R6-F8 PolarHBondContact O-N 2.77Å; F8-V10 HydrophobicContact CB-CG2 4.14Å; F8-V10 HydrophobicContact CD1-CG2 3.81Å; F8-V10 HydrophobicContact CG-CG2 4.49Å; F8-V10 PolarHBondContact O-N 2.87Å
9G33.1Very low40Very low77 Ų77140.1 Ų140.179%0.79470%0.695SS**  trans-68.4101.8155.900000107.6F7F7-G9 VanDerWaalsContact C-N 3.26Å; F7-G9 PolarHBondContact O-N 3.43Å
10V28.8Very low42Very low89 Ų89138.8 Ų138.854%0.53969%0.687SS.*  trans-144.5110.3180177.10000109.7F8F8-V10 HydrophobicContact CB-CG2 4.14Å; F8-V10 HydrophobicContact CD1-CG2 3.81Å; F8-V10 HydrophobicContact CG-CG2 4.49Å; F8-V10 PolarHBondContact O-N 2.87Å
11F30.4Very low44Very low207 Ų207134.6 Ų134.691%0.90866%0.664SS**SBendtrans65117.9163.5-58.6-60.7000120.1
12G33.1Very low46.5Very low67 Ų67123.8 Ų123.869%0.69161%0.611SS**  trans11350.4149.200000116.9
13N39.7Very low49.1Very low49 Ų49118.4 Ų118.426%0.26258%0.579SS.*  trans-161.6107.9144.2-101.3-15.9000107.3G15N13-G15 PolarHBondContact O-N 2.98Å
14R42.5Very low51.7Low254 Ų254116 Ų11696%0.95857%0.572SS**SBendtrans-60.8106.1-179.3-68.9178.1-177.9179.91.4108.9R16R14-R16 PolarHBondContact O-N 3.27Å
15G54.2Low54.6Low88 Ų88107.5 Ų107.591%0.90755%0.554SS**SBendtrans64-1.5163.400000118.4N13N13-G15 PolarHBondContact O-N 2.98Å
16R59.6Low57.7Low69 Ų6999.3 Ų99.326%0.2652%0.522SS..  trans-84.2125.3-178.3-172167.9178.4-115.2-13.4111.4R14 L18 E349 L353R14-R16 PolarHBondContact O-N 3.27Å; R16-L18 PolarHBondContact O-N 2.72Å; R16-E349 IonicContact CZ-OE1 3.36Å; R16-E349 IonicContact NH1-OE1 3.31Å; R16-E349 PolarHBondContact NH1-OE1 2.81Å; R16-E349 IonicContact NH2-OE1 2.88Å; R16-E349 PolarHBondContact NH2-OE1 2.95Å; R16-L353 VanDerWaalsContact CZ-CD2 3.44Å; R16-L353 VanDerWaalsContact NH2-CD1 3.27Å
17K67.6Low61Low176 Ų17690.4 Ų90.477%0.76549%0.492SS*.  trans-74.9113.6170.8-169.2-177.1176.7-164.40108.3
18L72.4Confident64.1Low45 Ų4582.3 Ų82.324%0.23646%0.457CS..  trans-78.4143.5172.6-64.5172.9000108.9R16 T22R16-L18 PolarHBondContact O-N 2.72Å; L18-T22 HydrophobicContact CD2-CG2 3.81Å
19S79.7Confident67.4Low6 Ų674.4 Ų74.44%0.04242%0.422CS..  trans-61.3163169630000110.7Y21 T22 H346 E349S19-Y21 PolarHBondContact O-N 3.36Å; S19-Y21 VanDerWaalsContact O-N 3.08Å; S19-T22 PolarHBondContact O-N 2.89Å; S19-T22 PolarHBondContact OG-N 2.99Å; S19-T22 PolarHBondContact OG-OG1 3.09Å; S19-H346 PolarHBondContact OG-ND1 3.43Å; S19-E349 WeakPolarHBondContact CB-OE2 3.48Å; S19-E349 PolarHBondContact N-OE2 3.44Å; S19-E349 PolarHBondContact OG-OE2 3.48Å
20H80.1Confident70.5Confident113 Ų11370.7 Ų70.752%0.52338%0.384SS..THydrogen-bonded Turntrans-52-34.4177.2-175.276.3000113.3F342H20-F342 HydrophobicContact CB-CB 4.3Å; H20-F342 HydrophobicContact CB-CD1 3.55Å; H20-F342 HydrophobicContact CB-CD2 4.25Å; H20-F342 HydrophobicContact CB-CE1 3.79Å; H20-F342 HydrophobicContact CB-CE2 4.42Å; H20-F342 HydrophobicContact CB-CG 3.81Å; H20-F342 HydrophobicContact CB-CZ 4.21Å; H20-F342 AromaticContact CD2-CD2 3.59Å; H20-F342 AromaticContact CD2-CE2 3.67Å; H20-F342 AromaticContact CD2-CG 4Å; H20-F342 AromaticContact CG-CD1 3.97Å; H20-F342 AromaticContact CG-CD2 3.88Å; H20-F342 AromaticContact CG-CE1 3.91Å; H20-F342 AromaticContact CG-CE2 3.77Å; H20-F342 AromaticContact CG-CG 3.96Å; H20-F342 AromaticContact CG-CZ 3.8Å; H20-F342 AromaticContact ND1-CE2 4Å; H20-F342 AromaticContact ND1-CZ 3.81Å; H20-F342 AromaticContact NE2-CE2 3.87Å
21Y83.5Confident73.8Confident52 Ų5267.5 Ų67.520%0.20437%0.366CS..THydrogen-bonded Turntrans-91.3-14.3-175.3-68.8-45.4000115.3S19 P23 R66 F342 E343 H346S19-Y21 PolarHBondContact O-N 3.36Å; S19-Y21 VanDerWaalsContact O-N 3.08Å; Y21-P23 WeakPolarHBondContact O-CD 3.32Å; Y21-R66 WeakPolarHBondContact CD2-O 3.3Å; Y21-F342 HydrophobicContact CD2-CB 3.97Å; Y21-F342 HydrophobicContact CE2-CB 3.4Å; Y21-F342 VanDerWaalsContact CE2-CB 3.4Å; Y21-E343 HydrophobicContact CE2-CG 3.93Å; Y21-E343 VanDerWaalsContact CE2-OE1 3.26Å; Y21-E343 WeakPolarHBondContact CE2-OE1 3.32Å; Y21-E343 VanDerWaalsContact CZ-OE1 3.32Å; Y21-E343 PolarHBondContact OH-OE1 2.9Å; Y21-H346 HydrophobicContact CD2-CB 4.31Å
22T83.6Confident77Confident6 Ų659.7 Ų59.74%0.03734%0.335CS..  trans-83107.2177.6-56.30000110.5L18 S19 H346 E349 P357L18-T22 HydrophobicContact CD2-CG2 3.81Å; S19-T22 PolarHBondContact O-N 2.89Å; S19-T22 PolarHBondContact OG-N 2.99Å; S19-T22 PolarHBondContact OG-OG1 3.09Å; T22-H346 PolarHBondContact OG1-CE1 3.15Å; T22-H346 PolarHBondContact OG1-ND1 3.4Å; T22-E349 WeakPolarHBondContact CB-OE2 3.39Å; T22-E349 PolarHBondContact OG1-OE2 3.25Å; T22-P357 HydrophobicContact CG2-CG 3.91Å
23P81.5Confident80.1Confident23 Ų2362.8 Ų62.815%0.14933%0.331CS..  trans-72.8155.5-178.6-15.834.2000111.5Y21 G25 Y26Y21-P23 WeakPolarHBondContact O-CD 3.32Å; P23-G25 PolarHBondContact O-N 3.22Å; P23-Y26 HydrophobicContact CB-CD2 3.87Å; P23-Y26 HydrophobicContact CB-CE2 3.65Å; P23-Y26 HydrophobicContact CG-CD2 4.01Å; P23-Y26 HydrophobicContact CG-CE1 4.09Å; P23-Y26 HydrophobicContact CG-CE2 3.54Å; P23-Y26 WeakPolarHBondContact O-CD2 3.46Å; P23-Y26 PolarHBondContact O-N 2.86Å
24P80.2Confident82.9Confident101 Ų10162.1 Ų62.166%0.65633%0.327SS*.THydrogen-bonded Turntrans-55.2137.3171.7-24.933.9000111.9
25G85.2Confident85.6Confident45 Ų4550 Ų5046%0.46428%0.281SS..THydrogen-bonded Turntrans89.9-0.5179.500000115.5P23 S27 P360P23-G25 PolarHBondContact O-N 3.22Å; G25-S27 PolarHBondContact O-N 2.69Å; G25-S27 VanDerWaalsContact O-N 3.08Å; G25-P360 WeakPolarHBondContact O-CD 3.43Å
26Y92.1Very high87.7Confident41 Ų4149.3 Ų49.316%0.16125%0.253CS..  trans-77.692.6171.4-78.6-136.4000108.1P23 Y69 P357 Y358 P359P23-Y26 HydrophobicContact CB-CD2 3.87Å; P23-Y26 HydrophobicContact CB-CE2 3.65Å; P23-Y26 HydrophobicContact CG-CD2 4.01Å; P23-Y26 HydrophobicContact CG-CE1 4.09Å; P23-Y26 HydrophobicContact CG-CE2 3.54Å; P23-Y26 WeakPolarHBondContact O-CD2 3.46Å; P23-Y26 PolarHBondContact O-N 2.86Å; Y26-Y69 HydrophobicContact CD1-CE1 4.09Å; Y26-Y69 HydrophobicContact CD1-CE2 4.09Å; Y26-Y69 AromaticContact CD1-CZ 3.79Å; Y26-Y69 AromaticContact CE1-CD1 3.9Å; Y26-Y69 HydrophobicContact CE1-CD1 3.9Å; Y26-Y69 AromaticContact CE1-CD2 3.86Å; Y26-Y69 HydrophobicContact CE1-CD2 3.86Å; Y26-Y69 AromaticContact CE1-CE1 3.82Å; Y26-Y69 HydrophobicContact CE1-CE1 3.82Å; Y26-Y69 AromaticContact CE1-CE2 3.8Å; Y26-Y69 HydrophobicContact CE1-CE2 3.8Å; Y26-Y69 AromaticContact CE1-CG 3.89Å; Y26-Y69 HydrophobicContact CE1-CG 3.89Å; Y26-Y69 AromaticContact CE1-CZ 3.76Å; Y26-P357 WeakPolarHBondContact CD1-O 3.16Å; Y26-Y358 CarbonylContact C-O 3.56Å; Y26-P359 HydrophobicContact CD2-CB 3.84Å; Y26-P359 HydrophobicContact CD2-CG 4.17Å; Y26-P359 HydrophobicContact CE1-CG 4.22Å; Y26-P359 HydrophobicContact CE2-CB 3.81Å; Y26-P359 HydrophobicContact CE2-CG 3.77Å; Y26-P359 HydrophobicContact CG-CB 4.38Å
27S93.8Very high89.5Confident23 Ų2350.4 Ų50.416%0.16126%0.26CS..  trans-116.5-18.2-170.361.60000114.3G25 V29 Y358 S383 L384G25-S27 PolarHBondContact O-N 2.69Å; G25-S27 VanDerWaalsContact O-N 3.08Å; S27-V29 PolarHBondContact O-N 3.47Å; S27-Y358 PolarHBondContact N-O 3.12Å; S27-Y358 VanDerWaalsContact N-O 3.1Å; S27-S383 CarbonylContact O-C 3.58Å; S27-S383 VanDerWaalsContact O-CA 3.25Å; S27-S383 WeakPolarHBondContact O-CA 3.18Å; S27-L384 PolarHBondContact O-N 2.88Å
28Q96.7Very high91Very high31 Ų3142.1 Ų42.115%0.14522%0.224CC..EExtended strand (participates in β ladder)trans-91102.6-176.1-56.8-55.5-51.900109.8Y358 P360 I363 I380 S383Q28-Y358 PolarHBondContact N-O 3.42Å; Q28-Y358 PolarHBondContact O-N 3.44Å; Q28-P360 HydrophobicContact CG-CB 4.4Å; Q28-P360 HydrophobicContact CG-CG 4.03Å; Q28-I363 HydrophobicContact CB-CG1 3.91Å; Q28-I363 HydrophobicContact CG-CG1 4.16Å; Q28-I380 HydrophobicContact CB-CG1 4.46Å; Q28-I380 VanDerWaalsContact OE1-CD1 3.28Å; Q28-S383 PolarHBondContact NE2-OG 3.31Å; Q28-S383 VanDerWaalsContact NE2-OG 3.14Å
29V97.9Very high92.3Very high0 Ų040 Ų400%021%0.212CC..EExtended strand (participates in β ladder)trans-87.8129.9-179.1-172.60000110.1S27 L353 I356 P357 I381 K382 L384S27-V29 PolarHBondContact O-N 3.47Å; V29-L353 HydrophobicContact CG1-CB 4.14Å; V29-L353 HydrophobicContact CG2-CD1 4.19Å; V29-L353 HydrophobicContact CG2-CD2 4.42Å; V29-I356 WeakPolarHBondContact CA-O 3.5Å; V29-P357 HydrophobicContact CG2-CB 4.4Å; V29-I381 HydrophobicContact CB-CG1 4.12Å; V29-I381 HydrophobicContact CG1-CD1 3.87Å; V29-I381 HydrophobicContact CG1-CG1 3.91Å; V29-I381 VanDerWaalsContact O-CG1 3.22Å; V29-I381 WeakPolarHBondContact O-CG1 3.22Å; V29-I381 PolarHBondContact O-N 3.31Å; V29-K382 HydrophobicContact CB-CG 3.65Å; V29-K382 HydrophobicContact CG1-CG 4.26Å; V29-K382 HydrophobicContact CG2-CD 4.4Å; V29-K382 HydrophobicContact CG2-CG 3.75Å; V29-K382 PolarHBondContact N-O 2.83Å; V29-L384 HydrophobicContact CG2-CD1 3.84Å; V29-L384 HydrophobicContact CG2-CD2 4.01Å; V29-L384 HydrophobicContact CG2-CG 3.72Å
30I98.3Very high93.2Very high0 Ų041.1 Ų41.10%022%0.218CC..EExtended strand (participates in β ladder)trans-128.9135.3178-57.3178.3000108.4E34 V35 G355 I356 Y358 I363 M378 I380I30-E34 HydrophobicContact CG2-CB 3.8Å; I30-E34 HydrophobicContact CG2-CG 3.81Å; I30-V35 HydrophobicContact CB-CG2 4.1Å; I30-V35 HydrophobicContact CG2-CG2 3.64Å; I30-G355 CarbonylContact O-C 3.41Å; I30-G355 VanDerWaalsContact O-CA 3.23Å; I30-G355 WeakPolarHBondContact O-CA 3.38Å; I30-I356 PolarHBondContact N-O 3.48Å; I30-I356 PolarHBondContact O-N 3.08Å; I30-Y358 HydrophobicContact CB-CD2 4.26Å; I30-Y358 HydrophobicContact CB-CE2 4.18Å; I30-Y358 HydrophobicContact CD1-CD2 4.09Å; I30-Y358 HydrophobicContact CG1-CD2 4.23Å; I30-I363 HydrophobicContact CD1-CD1 3.44Å; I30-I363 VanDerWaalsContact CD1-CD1 3.44Å; I30-I363 HydrophobicContact CD1-CG1 4.48Å; I30-M378 HydrophobicContact CD1-CB 3.95Å; I30-M378 HydrophobicContact CD1-CE 3.8Å; I30-M378 HydrophobicContact CD1-SD 3.95Å; I30-M378 HydrophobicContact CG2-CB 4.27Å; I30-M378 HydrophobicContact CG2-SD 4.29Å; I30-I380 HydrophobicContact CG1-CG1 4.35Å
31S98.2Very high94.1Very high21 Ų2137.9 Ų37.915%0.14720%0.203CC..  trans-66.4153.3179.888.60000111.4E33 E34 V35S31-E33 VanDerWaalsContact C-N 3.27Å; S31-E33 WeakPolarHBondContact CB-OE2 3.16Å; S31-E33 PolarHBondContact O-N 3.34Å; S31-E33 PolarHBondContact OG-OE2 3.36Å; S31-E34 PolarHBondContact O-N 2.94Å; S31-E34 PolarHBondContact OG-N 2.97Å; S31-V35 WeakPolarHBondContact O-CG2 3.39Å; S31-V35 PolarHBondContact O-N 2.83Å; S31-V35 VanDerWaalsContact O-N 3.08Å
32T98Very high94.8Very high43 Ų4335.4 Ų35.426%0.26419%0.193SC..Hα-helixtrans-60.3-37.517844.20000112.1E34 V35 K36 V61 I356T32-E34 VanDerWaalsContact C-N 3.33Å; T32-E34 PolarHBondContact O-N 2.82Å; T32-V35 PolarHBondContact O-N 2.67Å; T32-K36 WeakPolarHBondContact O-CG 3.36Å; T32-K36 PolarHBondContact O-N 2.75Å; T32-V61 HydrophobicContact CG2-CG1 3.93Å; T32-I356 HydrophobicContact CG2-CD1 4.03Å; T32-I356 HydrophobicContact CG2-CG1 4.21Å
33E98.2Very high95.5Very high132 Ų13235.1 Ų35.162%0.61719%0.191SC*.Hα-helixtrans-63.7-40.3177.1-55.687.2179.700111.8S31 K36 K37S31-E33 VanDerWaalsContact C-N 3.27Å; S31-E33 WeakPolarHBondContact CB-OE2 3.16Å; S31-E33 PolarHBondContact O-N 3.34Å; S31-E33 PolarHBondContact OG-OE2 3.36Å; E33-K36 PolarHBondContact O-N 3.32Å; E33-K37 VanDerWaalsContact O-CB 3.27Å; E33-K37 WeakPolarHBondContact O-CB 3.37Å; E33-K37 PolarHBondContact O-N 2.99Å
34E98.2Very high96.3Very high36 Ų3638.2 Ų38.217%0.16820%0.204CC..Hα-helixtrans-68.6-40.3-179.4-174.466.8-178.100111.3I30 S31 T32 K37 F38 M378 K379I30-E34 HydrophobicContact CG2-CB 3.8Å; I30-E34 HydrophobicContact CG2-CG 3.81Å; S31-E34 PolarHBondContact O-N 2.94Å; S31-E34 PolarHBondContact OG-N 2.97Å; T32-E34 VanDerWaalsContact C-N 3.33Å; T32-E34 PolarHBondContact O-N 2.82Å; E34-K37 PolarHBondContact O-N 3.24Å; E34-F38 WeakPolarHBondContact O-CB 3.21Å; E34-F38 PolarHBondContact O-N 2.9Å; E34-M378 HydrophobicContact CG-CB 4.11Å; E34-M378 HydrophobicContact CG-CG 4.4Å; E34-M378 WeakPolarHBondContact OE1-CA 3.33Å; E34-K379 HydrophobicContact CG-CB 4.32Å; E34-K379 PolarHBondContact OE1-N 2.84Å
35V98.4Very high97.2Very high0 Ų039.5 Ų39.50%020%0.199CC..Hα-helixtrans-63.1-45.3174.2-177.90000110.9I30 S31 T32 F38 C39 V61 L73 Y358 M378I30-V35 HydrophobicContact CB-CG2 4.1Å; I30-V35 HydrophobicContact CG2-CG2 3.64Å; S31-V35 WeakPolarHBondContact O-CG2 3.39Å; S31-V35 PolarHBondContact O-N 2.83Å; S31-V35 VanDerWaalsContact O-N 3.08Å; T32-V35 PolarHBondContact O-N 2.67Å; V35-F38 PolarHBondContact O-N 3.36Å; V35-C39 PolarHBondContact O-N 2.85Å; V35-C39 PolarHBondContact O-SG 3.5Å; V35-V61 HydrophobicContact CB-CG2 3.87Å; V35-V61 HydrophobicContact CG1-CG2 3.52Å; V35-L73 HydrophobicContact CG1-CD1 3.93Å; V35-L73 HydrophobicContact CG1-CD2 3.88Å; V35-L73 HydrophobicContact CG1-CG 4.35Å; V35-Y358 HydrophobicContact CG2-CE2 3.88Å; V35-M378 HydrophobicContact CG2-SD 4.32Å
36K98.5Very high97.8Very high73 Ų7338.6 Ų38.632%0.31718%0.184SC..Hα-helixtrans-59.7-50.2176.7-72.6-169.6-175.4-164.80111.3T32 E33 F38 C39 I40 D58 V61T32-K36 WeakPolarHBondContact O-CG 3.36Å; T32-K36 PolarHBondContact O-N 2.75Å; E33-K36 PolarHBondContact O-N 3.32Å; K36-F38 VanDerWaalsContact C-N 3.32Å; K36-F38 PolarHBondContact O-N 3.43Å; K36-C39 PolarHBondContact O-N 3.18Å; K36-I40 VanDerWaalsContact O-CG1 3.32Å; K36-I40 WeakPolarHBondContact O-CG1 3.35Å; K36-I40 PolarHBondContact O-N 3.3Å; K36-D58 WeakPolarHBondContact CE-OD1 3.35Å; K36-D58 IonicContact NZ-OD1 2.65Å; K36-D58 PolarHBondContact NZ-OD1 3.31Å; K36-V61 HydrophobicContact CG-CB 4.25Å; K36-V61 HydrophobicContact CG-CG1 4.48Å; K36-V61 HydrophobicContact CG-CG2 3.66Å
37K98.5Very high98.1Very high92 Ų9238.7 Ų38.740%0.420%0.198SC..Hα-helixtrans-54.6-48.3178.6-179-166.7168.9-159.50111.1E33 E34 I40 Q41E33-K37 VanDerWaalsContact O-CB 3.27Å; E33-K37 WeakPolarHBondContact O-CB 3.37Å; E33-K37 PolarHBondContact O-N 2.99Å; E34-K37 PolarHBondContact O-N 3.24Å; K37-I40 PolarHBondContact O-N 3.31Å; K37-Q41 WeakPolarHBondContact O-CG 3.45Å; K37-Q41 PolarHBondContact O-N 3.05Å
38F98.8Very high98.3Very high1 Ų137.9 Ų37.90%0.00419%0.193CC..Hα-helixtrans-63.2-44.8179.7178.8-106.3000112.8E34 V35 K36 I40 Q41 C42 L73 L76 L366 A370 V375 D376 M378E34-F38 WeakPolarHBondContact O-CB 3.21Å; E34-F38 PolarHBondContact O-N 2.9Å; V35-F38 PolarHBondContact O-N 3.36Å; K36-F38 VanDerWaalsContact C-N 3.32Å; K36-F38 PolarHBondContact O-N 3.43Å; F38-I40 PolarHBondContact O-N 2.89Å; F38-Q41 PolarHBondContact O-N 2.98Å; F38-C42 VanDerWaalsContact CZ-SG 3.5Å; F38-C42 PolarHBondContact O-N 2.85Å; F38-C42 PolarHBondContact O-SG 2.85Å; F38-L73 HydrophobicContact CD1-CD1 4.45Å; F38-L76 HydrophobicContact CD1-CD2 3.91Å; F38-L76 HydrophobicContact CE1-CD2 3.65Å; F38-L366 HydrophobicContact CE1-CB 4.05Å; F38-L366 HydrophobicContact CE1-CD2 4.19Å; F38-L366 HydrophobicContact CZ-CB 4.21Å; F38-A370 HydrophobicContact CE2-CB 3.72Å; F38-A370 HydrophobicContact CZ-CB 4.11Å; F38-V375 HydrophobicContact CD2-CG2 4.47Å; F38-V375 HydrophobicContact CE2-CG2 3.94Å; F38-D376 VanDerWaalsContact CD2-O 3.31Å; F38-D376 WeakPolarHBondContact CD2-O 3.28Å; F38-D376 WeakPolarHBondContact CE2-O 3.22Å; F38-M378 HydrophobicContact CB-CG 3.39Å; F38-M378 HydrophobicContact CB-SD 3.94Å; F38-M378 HydrophobicContact CD1-CE 4.11Å; F38-M378 HydrophobicContact CD1-CG 3.81Å; F38-M378 HydrophobicContact CD1-SD 3.71Å; F38-M378 HydrophobicContact CD2-CG 3.82Å; F38-M378 HydrophobicContact CE1-CE 4.27Å; F38-M378 HydrophobicContact CE1-SD 4.45Å; F38-M378 HydrophobicContact CG-CG 3.38Å; F38-M378 HydrophobicContact CG-SD 3.89Å
39C98.7Very high98.3Very high0 Ų039.9 Ų39.90%020%0.202CC..Hα-helixtrans-57.8-48.8175.2-68.50000111.2V35 K36 Q41 C42 L43 L73 L76V35-C39 PolarHBondContact O-N 2.85Å; V35-C39 PolarHBondContact O-SG 3.5Å; K36-C39 PolarHBondContact O-N 3.18Å; C39-Q41 PolarHBondContact O-N 3.49Å; C39-C42 PolarHBondContact O-N 3.39Å; C39-L43 WeakPolarHBondContact O-CB 3.33Å; C39-L43 WeakPolarHBondContact O-CD1 3.27Å; C39-L43 VanDerWaalsContact O-CG 3.25Å; C39-L43 WeakPolarHBondContact O-CG 3.22Å; C39-L43 PolarHBondContact O-N 2.99Å; C39-L73 WeakPolarHBondContact SG-CD1 3.45Å; C39-L76 HydrophobicContact CB-CD1 4.36Å
40I98.8Very high98.3Very high30 Ų3044.6 Ų44.615%0.15423%0.227CC..Hα-helixtrans-60.3-47.8179.8-68.7167.4000110.5K36 K37 F38 C42 L43 Q44 L50 A53K36-I40 VanDerWaalsContact O-CG1 3.32Å; K36-I40 WeakPolarHBondContact O-CG1 3.35Å; K36-I40 PolarHBondContact O-N 3.3Å; K37-I40 PolarHBondContact O-N 3.31Å; F38-I40 PolarHBondContact O-N 2.89Å; I40-C42 PolarHBondContact O-N 3.31Å; I40-L43 PolarHBondContact O-N 3.17Å; I40-Q44 HydrophobicContact CG2-CG 4.18Å; I40-Q44 WeakPolarHBondContact O-CB 3.48Å; I40-Q44 WeakPolarHBondContact O-CG 3.16Å; I40-Q44 PolarHBondContact O-N 2.93Å; I40-L50 HydrophobicContact CG2-CD1 3.69Å; I40-A53 HydrophobicContact CG1-CB 4.45Å; I40-A53 HydrophobicContact CG2-CB 4.27Å
41Q98.6Very high98.3Very high45 Ų4549.7 Ų49.721%0.2125%0.249CC..Hα-helixtrans-57.2-49.1177.5-75.7179.6-37.700111.5K37 F38 C39 L43 Q44 K45 V375 D376K37-Q41 WeakPolarHBondContact O-CG 3.45Å; K37-Q41 PolarHBondContact O-N 3.05Å; F38-Q41 PolarHBondContact O-N 2.98Å; C39-Q41 PolarHBondContact O-N 3.49Å; Q41-L43 PolarHBondContact O-N 2.95Å; Q41-Q44 PolarHBondContact O-N 3.15Å; Q41-K45 WeakPolarHBondContact O-CG 3.49Å; Q41-K45 PolarHBondContact O-N 2.82Å; Q41-V375 HydrophobicContact CB-CB 4.18Å; Q41-V375 HydrophobicContact CB-CG1 4.02Å; Q41-D376 PolarHBondContact NE2-OD2 3.36Å; Q41-D376 VanDerWaalsContact NE2-OD2 3.15Å
42C98.8Very high98.3Very high0 Ų048.7 Ų48.70%024%0.242CC..Hα-helixtrans-58.7-46179.3-69.10000112.1F38 C39 I40 K45 V46 L76 V80 L373F38-C42 VanDerWaalsContact CZ-SG 3.5Å; F38-C42 PolarHBondContact O-N 2.85Å; F38-C42 PolarHBondContact O-SG 2.85Å; C39-C42 PolarHBondContact O-N 3.39Å; I40-C42 PolarHBondContact O-N 3.31Å; C42-K45 PolarHBondContact O-N 2.52Å; C42-V46 PolarHBondContact O-N 2.84Å; C42-L76 HydrophobicContact CB-CD1 4.46Å; C42-L76 HydrophobicContact CB-CD2 4.15Å; C42-V80 HydrophobicContact CB-CG2 4.26Å; C42-L373 HydrophobicContact CB-CD1 3.78Å
43L98.6Very high98.4Very high0 Ų046.7 Ų46.70%023%0.229CC..Hα-helixtrans-69.8-41.2-177.4-67.8164.8000112C39 I40 Q41 K45 V46 G47 A48 A53 L56 L76 V80 I83C39-L43 WeakPolarHBondContact O-CB 3.33Å; C39-L43 WeakPolarHBondContact O-CD1 3.27Å; C39-L43 VanDerWaalsContact O-CG 3.25Å; C39-L43 WeakPolarHBondContact O-CG 3.22Å; C39-L43 PolarHBondContact O-N 2.99Å; I40-L43 PolarHBondContact O-N 3.17Å; Q41-L43 PolarHBondContact O-N 2.95Å; L43-K45 VanDerWaalsContact C-N 3.3Å; L43-K45 PolarHBondContact O-N 3.08Å; L43-V46 WeakPolarHBondContact O-CG2 3.38Å; L43-V46 PolarHBondContact O-N 3.47Å; L43-V46 VanDerWaalsContact O-N 3.17Å; L43-G47 PolarHBondContact O-N 2.77Å; L43-A48 HydrophobicContact CB-CB 3.96Å; L43-A48 VanDerWaalsContact O-CB 3.32Å; L43-A48 WeakPolarHBondContact O-CB 3.23Å; L43-A48 PolarHBondContact O-N 2.7Å; L43-A53 HydrophobicContact CB-CB 3.75Å; L43-A53 HydrophobicContact CD1-CB 4.14Å; L43-L56 HydrophobicContact CD1-CB 4Å; L43-L56 HydrophobicContact CD1-CD2 3.53Å; L43-L56 HydrophobicContact CD1-CG 3.93Å; L43-L56 HydrophobicContact CD2-CD2 3.65Å; L43-L56 HydrophobicContact CG-CD2 4.23Å; L43-L76 HydrophobicContact CD1-CD1 4.4Å; L43-L76 HydrophobicContact CD2-CD1 4.33Å; L43-L76 HydrophobicContact CG-CD1 4.15Å; L43-V80 HydrophobicContact CD2-CG2 4.44Å; L43-I83 HydrophobicContact CD2-CD1 3.95Å
44Q98.4Very high98.4Very high89 Ų8942.6 Ų42.642%0.41621%0.213SC..Hα-helixtrans-64.4-34.9175.4-71.8-171.7-63.400112.2I40 Q41 V46 G47 A53I40-Q44 HydrophobicContact CG2-CG 4.18Å; I40-Q44 WeakPolarHBondContact O-CB 3.48Å; I40-Q44 WeakPolarHBondContact O-CG 3.16Å; I40-Q44 PolarHBondContact O-N 2.93Å; Q41-Q44 PolarHBondContact O-N 3.15Å; Q44-V46 PolarHBondContact O-N 2.88Å; Q44-G47 PolarHBondContact O-N 2.89Å; Q44-A53 HydrophobicContact CG-CB 4.23Å
45K98.3Very high98.4Very high128 Ų12841.4 Ų41.456%0.55721%0.21SC*.Hα-helixtrans-62.3-26.1175.1-75.4-53.1-174-177.50113.8Q41 C42 L43 L373 V375Q41-K45 WeakPolarHBondContact O-CG 3.49Å; Q41-K45 PolarHBondContact O-N 2.82Å; C42-K45 PolarHBondContact O-N 2.52Å; L43-K45 VanDerWaalsContact C-N 3.3Å; L43-K45 PolarHBondContact O-N 3.08Å; K45-L373 HydrophobicContact CB-CB 4.41Å; K45-V375 HydrophobicContact CB-CG1 4.41Å; K45-V375 HydrophobicContact CD-CG1 4.14Å; K45-V375 HydrophobicContact CG-CG1 3.28Å
46V98.1Very high98.4Very high25 Ų2541.4 Ų41.415%0.15221%0.21CC..THydrogen-bonded Turntrans-97.98175.3-60.60000113.2C42 L43 Q44 V80 I83 Q84 L373C42-V46 PolarHBondContact O-N 2.84Å; L43-V46 WeakPolarHBondContact O-CG2 3.38Å; L43-V46 PolarHBondContact O-N 3.47Å; L43-V46 VanDerWaalsContact O-N 3.17Å; Q44-V46 PolarHBondContact O-N 2.88Å; V46-V80 HydrophobicContact CG1-CG1 3.74Å; V46-V80 HydrophobicContact CG2-CG1 4.43Å; V46-I83 HydrophobicContact CB-CB 4.41Å; V46-I83 HydrophobicContact CB-CG2 3.88Å; V46-I83 HydrophobicContact CG2-CB 3.91Å; V46-I83 HydrophobicContact CG2-CD1 3.88Å; V46-I83 HydrophobicContact CG2-CG2 3.7Å; V46-I83 WeakPolarHBondContact O-CG2 2.89Å; V46-Q84 HydrophobicContact CB-CG 4.02Å; V46-Q84 HydrophobicContact CG1-CG 3.57Å; V46-L373 HydrophobicContact CG1-CD2 3.82Å
47G97.7Very high98.4Very high43 Ų4337.9 Ų37.944%0.44320%0.195SC..THydrogen-bonded Turntrans104.20.916900000115.6L43 Q44 Q49 T90L43-G47 PolarHBondContact O-N 2.77Å; Q44-G47 PolarHBondContact O-N 2.89Å; G47-Q49 PolarHBondContact O-N 2.77Å; G47-T90 VanDerWaalsContact O-CB 3.32Å; G47-T90 WeakPolarHBondContact O-CB 3.42Å; G47-T90 PolarHBondContact O-OG1 3.34Å
48A98Very high98.4Very high6 Ų635.3 Ų35.35%0.0519%0.185CC..  trans-63.3134.8175.600000111.3L43 A53 I83L43-A48 HydrophobicContact CB-CB 3.96Å; L43-A48 VanDerWaalsContact O-CB 3.32Å; L43-A48 WeakPolarHBondContact O-CB 3.23Å; L43-A48 PolarHBondContact O-N 2.7Å; A48-A53 HydrophobicContact CB-CB 4.29Å; A48-I83 HydrophobicContact CB-CD1 4.2Å
49Q97.8Very high98.4Very high73 Ų7335.2 Ų35.234%0.34119%0.185SC..  trans-60.9148.3168.7-70.8-179.87.600110.7G47 K51 H52 A53 T90G47-Q49 PolarHBondContact O-N 2.77Å; Q49-K51 VanDerWaalsContact C-N 3.28Å; Q49-K51 HydrophobicContact CB-CG 4.3Å; Q49-K51 PolarHBondContact O-N 3.36Å; Q49-H52 PolarHBondContact O-N 2.87Å; Q49-A53 PolarHBondContact O-N 3.28Å; Q49-T90 WeakPolarHBondContact CG-O 3.45Å
50L98.2Very high98.4Very high100 Ų10035.2 Ų35.252%0.52419%0.185SC..Hα-helixtrans-50.9-46.8-177.6177.459.7000112I40 H52 A53 T54I40-L50 HydrophobicContact CG2-CD1 3.69Å; L50-H52 VanDerWaalsContact C-N 3.35Å; L50-H52 PolarHBondContact O-N 3.06Å; L50-A53 PolarHBondContact O-N 3.29Å; L50-T54 WeakPolarHBondContact O-CB 3.35Å; L50-T54 PolarHBondContact O-N 2.81Å; L50-T54 PolarHBondContact O-OG1 2.8Å
51K97.9Very high98.4Very high106 Ų10634.1 Ų34.146%0.46118%0.18SC..Hα-helixtrans-61.1-38.5179.755.1165.8176.9179.20113.9Q49 A55 E93Q49-K51 VanDerWaalsContact C-N 3.28Å; Q49-K51 HydrophobicContact CB-CG 4.3Å; Q49-K51 PolarHBondContact O-N 3.36Å; K51-A55 WeakPolarHBondContact O-CB 3.24Å; K51-A55 PolarHBondContact O-N 3.06Å; K51-E93 WeakPolarHBondContact CE-OE1 3.4Å; K51-E93 IonicContact NZ-OE1 3.62Å; K51-E93 PolarHBondContact NZ-OE1 2.99Å; K51-E93 IonicContact NZ-OE2 2.68Å; K51-E93 PolarHBondContact NZ-OE2 3.32Å
52H98.5Very high98.4Very high1 Ų132.6 Ų32.61%0.00517%0.174CC..Hα-helixtrans-72.4-40.9178.2-67.3-172.4000111.1Q49 L50 T54 A55 L56 L92 E93 L112 V115Q49-H52 PolarHBondContact O-N 2.87Å; L50-H52 VanDerWaalsContact C-N 3.35Å; L50-H52 PolarHBondContact O-N 3.06Å; H52-T54 VanDerWaalsContact C-N 3.32Å; H52-T54 PolarHBondContact O-N 3.29Å; H52-A55 PolarHBondContact O-N 3.3Å; H52-L56 PolarHBondContact O-N 3.01Å; H52-L92 PolarHBondContact CE1-O 3.05Å; H52-L92 PolarHBondContact NE2-O 2.88Å; H52-E93 IonicContact CD2-OE1 3.77Å; H52-E93 IonicContact CE1-OE1 3.31Å; H52-E93 PolarHBondContact CE1-OE1 2.94Å; H52-E93 IonicContact NE2-OE1 3.47Å; H52-E93 PolarHBondContact NE2-OE1 2.85Å; H52-E93 IonicContact NE2-OE2 2.67Å; H52-L112 HydrophobicContact CB-CD1 4.21Å; H52-V115 HydrophobicContact CB-CG2 3.66Å
53A98.6Very high98.3Very high0 Ų032.6 Ų32.60%017%0.174CC..Hα-helixtrans-60.9-42.9174.700000111.2I40 L43 Q44 A48 Q49 L50 L56 S57I40-A53 HydrophobicContact CG1-CB 4.45Å; I40-A53 HydrophobicContact CG2-CB 4.27Å; L43-A53 HydrophobicContact CB-CB 3.75Å; L43-A53 HydrophobicContact CD1-CB 4.14Å; Q44-A53 HydrophobicContact CG-CB 4.23Å; A48-A53 HydrophobicContact CB-CB 4.29Å; Q49-A53 PolarHBondContact O-N 3.28Å; L50-A53 PolarHBondContact O-N 3.29Å; A53-L56 PolarHBondContact O-N 3.21Å; A53-S57 WeakPolarHBondContact O-CB 3.41Å; A53-S57 PolarHBondContact O-N 2.78Å; A53-S57 PolarHBondContact O-OG 2.85Å
54T98.7Very high98.2Very high46 Ų4632.6 Ų32.628%0.28217%0.174SC..Hα-helixtrans-61.3-50.8174.4-60.80000111.1L50 H52 L56 S57 D58L50-T54 WeakPolarHBondContact O-CB 3.35Å; L50-T54 PolarHBondContact O-N 2.81Å; L50-T54 PolarHBondContact O-OG1 2.8Å; H52-T54 VanDerWaalsContact C-N 3.32Å; H52-T54 PolarHBondContact O-N 3.29Å; T54-L56 VanDerWaalsContact C-N 3.31Å; T54-L56 PolarHBondContact O-N 3.13Å; T54-S57 WeakPolarHBondContact CA-OG 3.42Å; T54-S57 PolarHBondContact O-N 2.63Å; T54-S57 PolarHBondContact O-OG 3.47Å; T54-D58 PolarHBondContact O-N 3.1Å
55A98.6Very high98.2Very high11 Ų1131.1 Ų31.19%0.09117%0.165CC..Hα-helixtrans-55.5-45179.300000112.3K51 H52 V59 P114 V115K51-A55 WeakPolarHBondContact O-CB 3.24Å; K51-A55 PolarHBondContact O-N 3.06Å; H52-A55 PolarHBondContact O-N 3.3Å; A55-V59 WeakPolarHBondContact O-CG2 3.48Å; A55-V59 PolarHBondContact O-N 3.18Å; A55-P114 HydrophobicContact CB-CB 4.34Å; A55-V115 HydrophobicContact CB-CG2 3.97Å
56L98.7Very high98.1Very high0 Ų026 Ų260%014%0.143CC..Hα-helixtrans-66.4-44.7174.717658.9000111.7L43 H52 A53 T54 D58 V59 L60 Y79 L112 P114L43-L56 HydrophobicContact CD1-CB 4Å; L43-L56 HydrophobicContact CD1-CD2 3.53Å; L43-L56 HydrophobicContact CD1-CG 3.93Å; L43-L56 HydrophobicContact CD2-CD2 3.65Å; L43-L56 HydrophobicContact CG-CD2 4.23Å; H52-L56 PolarHBondContact O-N 3.01Å; A53-L56 PolarHBondContact O-N 3.21Å; T54-L56 VanDerWaalsContact C-N 3.31Å; T54-L56 PolarHBondContact O-N 3.13Å; L56-D58 VanDerWaalsContact C-N 3.29Å; L56-D58 PolarHBondContact O-N 3.44Å; L56-V59 PolarHBondContact O-N 3.1Å; L56-L60 HydrophobicContact CD1-CD1 4.07Å; L56-L60 HydrophobicContact CD1-CD2 3.86Å; L56-L60 HydrophobicContact CD1-CG 3.79Å; L56-L60 HydrophobicContact CG-CD1 4.11Å; L56-L60 HydrophobicContact CG-CG 4.2Å; L56-L60 WeakPolarHBondContact O-CG 3.14Å; L56-L60 PolarHBondContact O-N 3.12Å; L56-Y79 HydrophobicContact CD1-CD1 4.23Å; L56-Y79 HydrophobicContact CD1-CD2 3.96Å; L56-Y79 HydrophobicContact CD1-CE1 3.98Å; L56-Y79 HydrophobicContact CD1-CE2 3.71Å; L56-Y79 HydrophobicContact CD1-CG 4.2Å; L56-Y79 HydrophobicContact CD2-CD1 3.94Å; L56-Y79 HydrophobicContact CD2-CD2 3.75Å; L56-Y79 HydrophobicContact CD2-CE2 4.35Å; L56-Y79 HydrophobicContact CD2-CG 3.5Å; L56-Y79 HydrophobicContact CG-CD2 4.41Å; L56-L112 HydrophobicContact CB-CD1 4.1Å; L56-L112 HydrophobicContact CD2-CD1 3.92Å; L56-L112 HydrophobicContact CD2-CD2 3.96Å; L56-P114 HydrophobicContact CB-CG 4.3Å; L56-P114 HydrophobicContact CD1-CG 3.74Å
57S98.6Very high98Very high0 Ų025.1 Ų25.10%014%0.139CC..Hα-helixtrans-58.9-39.6179.9770000112.9A53 T54 L60 V61A53-S57 WeakPolarHBondContact O-CB 3.41Å; A53-S57 PolarHBondContact O-N 2.78Å; A53-S57 PolarHBondContact O-OG 2.85Å; T54-S57 WeakPolarHBondContact CA-OG 3.42Å; T54-S57 PolarHBondContact O-N 2.63Å; T54-S57 PolarHBondContact O-OG 3.47Å; S57-L60 PolarHBondContact O-N 2.86Å; S57-V61 WeakPolarHBondContact O-CB 3.35Å; S57-V61 WeakPolarHBondContact O-CG2 3.31Å; S57-V61 PolarHBondContact O-N 3.3Å
58D98.6Very high97.7Very high37 Ų3724.5 Ų24.520%0.19812%0.124CC..Hα-helixtrans-64.1-44.3178.9-74-31.9000110.9K36 T54 L56 A62 W149K36-D58 WeakPolarHBondContact CE-OD1 3.35Å; K36-D58 IonicContact NZ-OD1 2.65Å; K36-D58 PolarHBondContact NZ-OD1 3.31Å; T54-D58 PolarHBondContact O-N 3.1Å; L56-D58 VanDerWaalsContact C-N 3.29Å; L56-D58 PolarHBondContact O-N 3.44Å; D58-A62 VanDerWaalsContact O-CB 3.24Å; D58-A62 WeakPolarHBondContact O-CB 3.25Å; D58-A62 PolarHBondContact O-N 2.94Å; D58-W149 HydrophobicContact CB-CH2 4.12Å; D58-W149 HydrophobicContact CB-CZ2 4.18Å
59V98.6Very high97.4Very high0 Ų025.1 Ų25.10%013%0.125CC..Hα-helixtrans-66.8-41.3177.61760000112.2A55 L56 A62 G63 P114 I146 W149A55-V59 WeakPolarHBondContact O-CG2 3.48Å; A55-V59 PolarHBondContact O-N 3.18Å; L56-V59 PolarHBondContact O-N 3.1Å; V59-A62 PolarHBondContact O-N 3.38Å; V59-G63 PolarHBondContact O-N 3.14Å; V59-P114 HydrophobicContact CB-CB 4.32Å; V59-P114 HydrophobicContact CB-CG 4.11Å; V59-P114 HydrophobicContact CG1-CG 4.38Å; V59-P114 HydrophobicContact CG2-CB 3.74Å; V59-P114 HydrophobicContact CG2-CG 4.03Å; V59-I146 HydrophobicContact CG1-CG1 4.13Å; V59-W149 HydrophobicContact CG2-CB 4.43Å; V59-W149 VanDerWaalsContact CG2-CD1 3.43Å; V59-W149 HydrophobicContact CG2-CD2 3.98Å; V59-W149 HydrophobicContact CG2-CG 3.7Å
60L98.5Very high97Very high0 Ų022.9 Ų22.90%012%0.118CC..Hα-helixtrans-65.2-43.4178.9-62.1-173.2000111.4L56 S57 G63 D64 H71 G72 L76 Y79L56-L60 HydrophobicContact CD1-CD1 4.07Å; L56-L60 HydrophobicContact CD1-CD2 3.86Å; L56-L60 HydrophobicContact CD1-CG 3.79Å; L56-L60 HydrophobicContact CG-CD1 4.11Å; L56-L60 HydrophobicContact CG-CG 4.2Å; L56-L60 WeakPolarHBondContact O-CG 3.14Å; L56-L60 PolarHBondContact O-N 3.12Å; S57-L60 PolarHBondContact O-N 2.86Å; L60-G63 PolarHBondContact O-N 2.99Å; L60-D64 PolarHBondContact O-N 2.84Å; L60-D64 VanDerWaalsContact O-N 3.09Å; L60-H71 WeakPolarHBondContact CD2-O 3.1Å; L60-G72 VanDerWaalsContact O-CA 3.24Å; L60-G72 WeakPolarHBondContact O-CA 3.43Å; L60-L76 HydrophobicContact CD1-CB 4.29Å; L60-L76 HydrophobicContact CD1-CD1 4.2Å; L60-Y79 HydrophobicContact CD1-CD2 4.35Å; L60-Y79 HydrophobicContact CD1-CE2 4.23Å; L60-Y79 HydrophobicContact CD2-CE2 3.66Å; L60-Y79 HydrophobicContact CG-CE2 4.49Å
61V98.5Very high96.7Very high7 Ų720.5 Ų20.54%0.04210%0.104CC..Hα-helixtrans-65.8-41176170.60000111.1T32 V35 K36 S57 G63 D64 Y65 I356T32-V61 HydrophobicContact CG2-CG1 3.93Å; V35-V61 HydrophobicContact CB-CG2 3.87Å; V35-V61 HydrophobicContact CG1-CG2 3.52Å; K36-V61 HydrophobicContact CG-CB 4.25Å; K36-V61 HydrophobicContact CG-CG1 4.48Å; K36-V61 HydrophobicContact CG-CG2 3.66Å; S57-V61 WeakPolarHBondContact O-CB 3.35Å; S57-V61 WeakPolarHBondContact O-CG2 3.31Å; S57-V61 PolarHBondContact O-N 3.3Å; V61-G63 VanDerWaalsContact C-N 3.27Å; V61-G63 PolarHBondContact O-N 3.35Å; V61-D64 PolarHBondContact O-N 3.31Å; V61-Y65 WeakPolarHBondContact O-CB 3.5Å; V61-Y65 PolarHBondContact O-N 3.43Å; V61-I356 HydrophobicContact CG1-CD1 4.22Å
62A98.2Very high96.6Very high12 Ų1215.5 Ų15.510%0.0998%0.082CC..Hα-helixtrans-61.9-36.6174.500000112.1D58 V59 R66 I146 W149D58-A62 VanDerWaalsContact O-CB 3.24Å; D58-A62 WeakPolarHBondContact O-CB 3.25Å; D58-A62 PolarHBondContact O-N 2.94Å; V59-A62 PolarHBondContact O-N 3.38Å; A62-R66 WeakPolarHBondContact O-CB 3.47Å; A62-R66 VanDerWaalsContact O-CG 3.22Å; A62-R66 WeakPolarHBondContact O-CG 3.29Å; A62-R66 PolarHBondContact O-N 3.25Å; A62-R66 VanDerWaalsContact O-N 3.16Å; A62-I146 HydrophobicContact CB-CD1 3.96Å; A62-W149 HydrophobicContact CB-CE3 3.51Å; A62-W149 HydrophobicContact CB-CZ3 3.8Å
63G97.1Very high96.4Very high0 Ų015.4 Ų15.40%08%0.082CC..Hα-helixtrans-59.9-52.6174.200000112.2V59 L60 V61 R66 G67 H68V59-G63 PolarHBondContact O-N 3.14Å; L60-G63 PolarHBondContact O-N 2.99Å; V61-G63 VanDerWaalsContact C-N 3.27Å; V61-G63 PolarHBondContact O-N 3.35Å; G63-R66 PolarHBondContact O-N 2.96Å; G63-G67 PolarHBondContact O-N 2.86Å; G63-H68 CarbonylContact O-C 3.52Å; G63-H68 VanDerWaalsContact O-CA 3.31Å; G63-H68 WeakPolarHBondContact O-CA 3.4Å; G63-H68 WeakPolarHBondContact O-CB 3.42Å; G63-H68 PolarHBondContact O-N 3.12Å
64D97.2Very high96.2Very high0 Ų018.2 Ų18.20%010%0.097CC..Hα-helixtrans-69.8-42.2180-66.8-32.8000112.3L60 V61 R66 G67 Y69 G72 L73 H346 I356 Y358L60-D64 PolarHBondContact O-N 2.84Å; L60-D64 VanDerWaalsContact O-N 3.09Å; V61-D64 PolarHBondContact O-N 3.31Å; D64-R66 PolarHBondContact O-N 3.28Å; D64-R66 VanDerWaalsContact O-N 3.17Å; D64-G67 PolarHBondContact O-N 2.89Å; D64-Y69 HydrophobicContact CB-CD1 4.13Å; D64-Y69 HydrophobicContact CB-CE1 4.16Å; D64-Y69 WeakPolarHBondContact OD1-CA 3.45Å; D64-Y69 VanDerWaalsContact OD1-CD1 3.31Å; D64-Y69 WeakPolarHBondContact OD1-CD1 3.48Å; D64-G72 WeakPolarHBondContact OD1-CA 3.23Å; D64-L73 WeakPolarHBondContact OD2-CB 3.45Å; D64-L73 PolarHBondContact OD2-N 3.23Å; D64-H346 PolarHBondContact O-CD2 2.91Å; D64-H346 PolarHBondContact O-NE2 3.34Å; D64-H346 VanDerWaalsContact O-NE2 3.09Å; D64-I356 HydrophobicContact CB-CD1 3.95Å; D64-I356 HydrophobicContact CB-CG2 3.98Å; D64-Y358 HydrophobicContact CB-CE1 4.17Å; D64-Y358 WeakPolarHBondContact OD2-CE1 3.32Å; D64-Y358 PolarHBondContact OD2-OH 3.49Å; D64-Y358 VanDerWaalsContact OD2-OH 3.07Å
65Y97.9Very high96Very high58 Ų5817.1 Ų17.123%0.2279%0.088CC..Hα-helixtrans-61.5-23.2178.5179.3-120.6000113.7V61 H346 M347 C350 D351V61-Y65 WeakPolarHBondContact O-CB 3.5Å; V61-Y65 PolarHBondContact O-N 3.43Å; Y65-H346 PolarHBondContact O-CD2 2.95Å; Y65-H346 VanDerWaalsContact O-CD2 3.27Å; Y65-M347 HydrophobicContact CD1-CB 4.4Å; Y65-M347 HydrophobicContact CD1-CG 3.58Å; Y65-M347 HydrophobicContact CD1-SD 3.85Å; Y65-M347 HydrophobicContact CD2-CG 4.34Å; Y65-M347 HydrophobicContact CE1-CB 3.78Å; Y65-M347 HydrophobicContact CE1-CG 3.34Å; Y65-M347 HydrophobicContact CE1-SD 3.47Å; Y65-M347 WeakPolarHBondContact CE1-SD 3.08Å; Y65-M347 HydrophobicContact CE2-CB 3.97Å; Y65-M347 HydrophobicContact CE2-CG 4.15Å; Y65-M347 WeakPolarHBondContact CE2-O 3.29Å; Y65-M347 HydrophobicContact CG-CG 4.09Å; Y65-M347 WeakPolarHBondContact O-CA 3.02Å; Y65-M347 WeakPolarHBondContact O-CG 3.33Å; Y65-C350 HydrophobicContact CD2-CB 3.53Å; Y65-C350 HydrophobicContact CE2-CB 3.6Å; Y65-D351 VanDerWaalsContact CE2-OD1 3.27Å; Y65-D351 WeakPolarHBondContact CE2-OD1 3.42Å; Y65-D351 VanDerWaalsContact OH-CG 3.25Å; Y65-D351 PolarHBondContact OH-OD1 3.16Å; Y65-D351 PolarHBondContact OH-OD2 3.41Å
66R96.9Very high95.9Very high21 Ų2116.6 Ų16.68%0.0798%0.083CC..THydrogen-bonded Turntrans-96.4-0.2174.3-65.2-17970.777.62.4113.4Y21 A62 G63 D64 E343 M347Y21-R66 WeakPolarHBondContact CD2-O 3.3Å; A62-R66 WeakPolarHBondContact O-CB 3.47Å; A62-R66 VanDerWaalsContact O-CG 3.22Å; A62-R66 WeakPolarHBondContact O-CG 3.29Å; A62-R66 PolarHBondContact O-N 3.25Å; A62-R66 VanDerWaalsContact O-N 3.16Å; G63-R66 PolarHBondContact O-N 2.96Å; D64-R66 PolarHBondContact O-N 3.28Å; D64-R66 VanDerWaalsContact O-N 3.17Å; R66-E343 HydrophobicContact CB-CB 4.16Å; R66-E343 HydrophobicContact CB-CG 4.21Å; R66-M347 HydrophobicContact CG-CG 4.15Å; R66-M347 HydrophobicContact CG-SD 3.87Å; R66-M347 PolarHBondContact NH1-SD 2.86Å; R66-M347 VanDerWaalsContact NH1-SD 3.38Å
67G94.7Very high95.9Very high7 Ų720.2 Ų20.27%0.07210%0.1CC..THydrogen-bonded Turntrans87.36.5178.700000114.2G63 D64 Y69 H346G63-G67 PolarHBondContact O-N 2.86Å; D64-G67 PolarHBondContact O-N 2.89Å; G67-Y69 PolarHBondContact O-N 3.29Å; G67-Y69 VanDerWaalsContact O-N 3.13Å; G67-H346 WeakPolarHBondContact CA-CD2 3.42Å; G67-H346 PolarHBondContact N-CD2 3.45Å
68H92.8Very high95.7Very high29 Ų2921 Ų2113%0.13410%0.104CC..  trans-87.754.5175.3-60.2-54.4000111.9G63 S70 H71 I146 E343G63-H68 CarbonylContact O-C 3.52Å; G63-H68 VanDerWaalsContact O-CA 3.31Å; G63-H68 WeakPolarHBondContact O-CA 3.4Å; G63-H68 WeakPolarHBondContact O-CB 3.42Å; G63-H68 PolarHBondContact O-N 3.12Å; H68-S70 PolarHBondContact O-N 2.96Å; H68-H71 PolarHBondContact O-N 3.42Å; H68-I146 HydrophobicContact CB-CG2 3.71Å; H68-E343 IonicContact CE1-OE1 2.8Å; H68-E343 PolarHBondContact CE1-OE1 2.87Å; H68-E343 IonicContact NE2-OE1 3.58Å
69Y91.4Very high95.7Very high19 Ų1919.3 Ų19.38%0.07510%0.095CC..THydrogen-bonded Turntrans-52.6-16.8-178.4-68.5-76.1000116Y26 D64 G67 H71 N74 H346 I356 P357 Y358Y26-Y69 HydrophobicContact CD1-CE1 4.09Å; Y26-Y69 HydrophobicContact CD1-CE2 4.09Å; Y26-Y69 AromaticContact CD1-CZ 3.79Å; Y26-Y69 AromaticContact CE1-CD1 3.9Å; Y26-Y69 HydrophobicContact CE1-CD1 3.9Å; Y26-Y69 AromaticContact CE1-CD2 3.86Å; Y26-Y69 HydrophobicContact CE1-CD2 3.86Å; Y26-Y69 AromaticContact CE1-CE1 3.82Å; Y26-Y69 HydrophobicContact CE1-CE1 3.82Å; Y26-Y69 AromaticContact CE1-CE2 3.8Å; Y26-Y69 HydrophobicContact CE1-CE2 3.8Å; Y26-Y69 AromaticContact CE1-CG 3.89Å; Y26-Y69 HydrophobicContact CE1-CG 3.89Å; Y26-Y69 AromaticContact CE1-CZ 3.76Å; D64-Y69 HydrophobicContact CB-CD1 4.13Å; D64-Y69 HydrophobicContact CB-CE1 4.16Å; D64-Y69 WeakPolarHBondContact OD1-CA 3.45Å; D64-Y69 VanDerWaalsContact OD1-CD1 3.31Å; D64-Y69 WeakPolarHBondContact OD1-CD1 3.48Å; G67-Y69 PolarHBondContact O-N 3.29Å; G67-Y69 VanDerWaalsContact O-N 3.13Å; Y69-H71 VanDerWaalsContact C-N 3.26Å; Y69-H71 PolarHBondContact O-N 3.43Å; Y69-N74 PolarHBondContact O-ND2 3.44Å; Y69-N74 PolarHBondContact O-OD1 2.88Å; Y69-H346 AromaticContact CE2-CE1 3.73Å; Y69-H346 AromaticContact CE2-NE2 3.86Å; Y69-H346 AromaticContact CZ-CE1 3.78Å; Y69-H346 AromaticContact CZ-NE2 3.72Å; Y69-H346 PolarHBondContact OH-CE1 3.48Å; Y69-H346 PolarHBondContact OH-NE2 3.46Å; Y69-I356 HydrophobicContact CE1-CG2 3.86Å; Y69-P357 WeakPolarHBondContact CE1-O 3.29Å; Y69-P357 WeakPolarHBondContact OH-CG 3.42Å; Y69-P357 PolarHBondContact OH-O 2.7Å; Y69-Y358 HydrophobicContact CD1-CD1 4.39Å; Y69-Y358 HydrophobicContact CD1-CE1 4.26Å; Y69-Y358 HydrophobicContact CE1-CD1 4.08Å; Y69-Y358 HydrophobicContact CE1-CE1 4.01Å
70S88.3Confident95.7Very high27 Ų2719.3 Ų19.319%0.18910%0.095CC..THydrogen-bonded Turntrans-73.4-13.5175.959.10000114.6H68 N74 R75H68-S70 PolarHBondContact O-N 2.96Å; S70-N74 PolarHBondContact O-OD1 2.97Å; S70-R75 PolarHBondContact O-NE 2.84Å; S70-R75 PolarHBondContact O-NH2 2.89Å
71H92.8Very high95.7Very high50 Ų5023 Ų2323%0.23111%0.112CC..SBendtrans-129.69-176.7-65.476.9000112.7L60 H68 Y69 H143 I146L60-H71 WeakPolarHBondContact CD2-O 3.1Å; H68-H71 PolarHBondContact O-N 3.42Å; Y69-H71 VanDerWaalsContact C-N 3.26Å; Y69-H71 PolarHBondContact O-N 3.43Å; H71-H143 AromaticContact CD2-CE1 3.85Å; H71-H143 AromaticContact CD2-NE2 3.77Å; H71-I146 HydrophobicContact CB-CG2 3.62Å
72G94.9Very high95.7Very high0 Ų023 Ų230%011%0.112CC..SBendtrans-100.3-137.7175.200000112.8L60 D64 N74 R75L60-G72 VanDerWaalsContact O-CA 3.24Å; L60-G72 WeakPolarHBondContact O-CA 3.43Å; D64-G72 WeakPolarHBondContact OD1-CA 3.23Å; G72-N74 PolarHBondContact O-N 3.2Å; G72-N74 PolarHBondContact O-OD1 3.15Å; G72-R75 WeakPolarHBondContact O-CB 3.27Å; G72-R75 PolarHBondContact O-N 3.28Å
73L95.9Very high95.7Very high0 Ų023 Ų230%011%0.11CC..G310 helixtrans-58-26.2-170.5-170.162.5000113.9V35 F38 C39 D64 R75 L76 Y358 L366 M378V35-L73 HydrophobicContact CG1-CD1 3.93Å; V35-L73 HydrophobicContact CG1-CD2 3.88Å; V35-L73 HydrophobicContact CG1-CG 4.35Å; F38-L73 HydrophobicContact CD1-CD1 4.45Å; C39-L73 WeakPolarHBondContact SG-CD1 3.45Å; D64-L73 WeakPolarHBondContact OD2-CB 3.45Å; D64-L73 PolarHBondContact OD2-N 3.23Å; L73-R75 PolarHBondContact O-N 2.87Å; L73-R75 VanDerWaalsContact O-N 3.07Å; L73-L76 HydrophobicContact CD1-CB 4.24Å; L73-L76 HydrophobicContact CD1-CD2 3.92Å; L73-L76 WeakPolarHBondContact O-CB 3.38Å; L73-L76 PolarHBondContact O-N 2.96Å; L73-Y358 HydrophobicContact CB-CE1 4.26Å; L73-Y358 HydrophobicContact CD2-CE1 4.17Å; L73-Y358 HydrophobicContact CD2-CE2 4.44Å; L73-L366 HydrophobicContact CD1-CD1 4.39Å; L73-L366 HydrophobicContact CD2-CD1 3.36Å; L73-L366 HydrophobicContact CG-CD1 3.57Å; L73-L366 HydrophobicContact CG-CD2 4.38Å; L73-M378 HydrophobicContact CD2-CE 3.82Å; L73-M378 HydrophobicContact CD2-SD 3.94Å
74N92.8Very high95.7Very high58 Ų5827.6 Ų27.631%0.3113%0.132SC..G310 helixtrans-61-15.3174.181.9-24.8000113.9Y69 S70 G72 L362Y69-N74 PolarHBondContact O-ND2 3.44Å; Y69-N74 PolarHBondContact O-OD1 2.88Å; S70-N74 PolarHBondContact O-OD1 2.97Å; G72-N74 PolarHBondContact O-N 3.2Å; G72-N74 PolarHBondContact O-OD1 3.15Å; N74-L362 HydrophobicContact CB-CD1 4.19Å; N74-L362 HydrophobicContact CB-CD2 4.48Å
75R94.6Very high95.7Very high24 Ų2434.3 Ų34.39%0.09116%0.161CC..G310 helixtrans-94.9-7.9175.8-63.6-49.4180-173.7-2.2113.8S70 G72 L73 E77 M78 Y79S70-R75 PolarHBondContact O-NE 2.84Å; S70-R75 PolarHBondContact O-NH2 2.89Å; G72-R75 WeakPolarHBondContact O-CB 3.27Å; G72-R75 PolarHBondContact O-N 3.28Å; L73-R75 PolarHBondContact O-N 2.87Å; L73-R75 VanDerWaalsContact O-N 3.07Å; R75-E77 VanDerWaalsContact C-N 3.29Å; R75-E77 PolarHBondContact O-N 3.36Å; R75-M78 VanDerWaalsContact O-CB 3.31Å; R75-M78 WeakPolarHBondContact O-CB 3.34Å; R75-M78 PolarHBondContact O-N 3.35Å; R75-Y79 HydrophobicContact CB-CD2 4.25Å; R75-Y79 HydrophobicContact CB-CE2 3.54Å; R75-Y79 WeakPolarHBondContact O-CD2 3.09Å; R75-Y79 PolarHBondContact O-N 2.91Å
76L98.1Very high95.6Very high0 Ų034.3 Ų34.30%018%0.179CC..Hα-helixtrans-53-46.1-174.9-179.760.1000112.6F38 C39 C42 L43 L60 L73 M78 Y79 V80 L366 L369F38-L76 HydrophobicContact CD1-CD2 3.91Å; F38-L76 HydrophobicContact CE1-CD2 3.65Å; C39-L76 HydrophobicContact CB-CD1 4.36Å; C42-L76 HydrophobicContact CB-CD1 4.46Å; C42-L76 HydrophobicContact CB-CD2 4.15Å; L43-L76 HydrophobicContact CD1-CD1 4.4Å; L43-L76 HydrophobicContact CD2-CD1 4.33Å; L43-L76 HydrophobicContact CG-CD1 4.15Å; L60-L76 HydrophobicContact CD1-CB 4.29Å; L60-L76 HydrophobicContact CD1-CD1 4.2Å; L73-L76 HydrophobicContact CD1-CB 4.24Å; L73-L76 HydrophobicContact CD1-CD2 3.92Å; L73-L76 WeakPolarHBondContact O-CB 3.38Å; L73-L76 PolarHBondContact O-N 2.96Å; L76-M78 VanDerWaalsContact C-N 3.27Å; L76-M78 PolarHBondContact O-N 2.95Å; L76-Y79 PolarHBondContact O-N 2.74Å; L76-Y79 VanDerWaalsContact O-N 3.15Å; L76-V80 HydrophobicContact CD1-CG2 4.34Å; L76-V80 HydrophobicContact CG-CG2 4.4Å; L76-V80 WeakPolarHBondContact O-CG2 3.33Å; L76-V80 PolarHBondContact O-N 3.36Å; L76-L366 HydrophobicContact CD2-CD2 4.46Å; L76-L369 HydrophobicContact CD2-CD2 4.27Å; L76-L369 HydrophobicContact CG-CD2 4.26Å
77E96.7Very high95.6Very high75 Ų7533.7 Ų33.735%0.3518%0.177SC..Hα-helixtrans-59.6-36.2-179.4-171.6177.1176.500112.7R75 V80 Q81 L369R75-E77 VanDerWaalsContact C-N 3.29Å; R75-E77 PolarHBondContact O-N 3.36Å; E77-V80 PolarHBondContact O-N 2.83Å; E77-Q81 HydrophobicContact CG-CG 4.47Å; E77-Q81 WeakPolarHBondContact O-CB 3.45Å; E77-Q81 VanDerWaalsContact O-CG 3.28Å; E77-Q81 WeakPolarHBondContact O-CG 3.46Å; E77-Q81 PolarHBondContact O-N 3.31Å; E77-Q81 PolarHBondContact OE1-NE2 3.25Å; E77-L369 HydrophobicContact CB-CD2 4.26Å; E77-L369 HydrophobicContact CG-CD1 4.37Å
78M96.3Very high95.8Very high16 Ų1633.7 Ų33.78%0.07918%0.176CC..Hα-helixtrans-61.9-46176.5179.8-169.777.200111.2R75 L76 Q81 D82 H143 W288 L289R75-M78 VanDerWaalsContact O-CB 3.31Å; R75-M78 WeakPolarHBondContact O-CB 3.34Å; R75-M78 PolarHBondContact O-N 3.35Å; L76-M78 VanDerWaalsContact C-N 3.27Å; L76-M78 PolarHBondContact O-N 2.95Å; M78-Q81 PolarHBondContact O-N 3.47Å; M78-D82 PolarHBondContact O-N 3.12Å; M78-H143 HydrophobicContact CE-CB 4.01Å; M78-W288 HydrophobicContact CE-CH2 4.17Å; M78-W288 HydrophobicContact SD-CH2 3.53Å; M78-W288 VanDerWaalsContact SD-CH2 3.53Å; M78-W288 HydrophobicContact SD-CZ2 3.74Å; M78-W288 HydrophobicContact SD-CZ3 4.2Å; M78-L289 HydrophobicContact CB-CD2 4.41Å; M78-L289 HydrophobicContact CG-CD2 3.84Å; M78-L289 HydrophobicContact SD-CD2 3.88Å
79Y98.1Very high96Very high2 Ų233.7 Ų33.71%0.00818%0.179CC..Hα-helixtrans-66.6-39.3178.6-58.7-73.5000112L56 L60 R75 L76 Q81 D82 I83 L112 H143 G145L56-Y79 HydrophobicContact CD1-CD1 4.23Å; L56-Y79 HydrophobicContact CD1-CD2 3.96Å; L56-Y79 HydrophobicContact CD1-CE1 3.98Å; L56-Y79 HydrophobicContact CD1-CE2 3.71Å; L56-Y79 HydrophobicContact CD1-CG 4.2Å; L56-Y79 HydrophobicContact CD2-CD1 3.94Å; L56-Y79 HydrophobicContact CD2-CD2 3.75Å; L56-Y79 HydrophobicContact CD2-CE2 4.35Å; L56-Y79 HydrophobicContact CD2-CG 3.5Å; L56-Y79 HydrophobicContact CG-CD2 4.41Å; L60-Y79 HydrophobicContact CD1-CD2 4.35Å; L60-Y79 HydrophobicContact CD1-CE2 4.23Å; L60-Y79 HydrophobicContact CD2-CE2 3.66Å; L60-Y79 HydrophobicContact CG-CE2 4.49Å; R75-Y79 HydrophobicContact CB-CD2 4.25Å; R75-Y79 HydrophobicContact CB-CE2 3.54Å; R75-Y79 WeakPolarHBondContact O-CD2 3.09Å; R75-Y79 PolarHBondContact O-N 2.91Å; L76-Y79 PolarHBondContact O-N 2.74Å; L76-Y79 VanDerWaalsContact O-N 3.15Å; Y79-Q81 VanDerWaalsContact C-N 3.32Å; Y79-Q81 PolarHBondContact O-N 2.98Å; Y79-D82 PolarHBondContact O-N 2.93Å; Y79-I83 WeakPolarHBondContact O-CG1 3.34Å; Y79-I83 PolarHBondContact O-N 3.04Å; Y79-I83 VanDerWaalsContact O-N 3.09Å; Y79-L112 HydrophobicContact CD1-CD2 4.1Å; Y79-H143 HydrophobicContact CE1-CB 4.32Å; Y79-H143 WeakPolarHBondContact CE1-O 3.49Å; Y79-H143 AromaticContact CZ-ND1 3.69Å; Y79-H143 PolarHBondContact OH-CE1 3.38Å; Y79-H143 PolarHBondContact OH-ND1 3.01Å; Y79-G145 PolarHBondContact OH-N 3.19Å
80V98.5Very high96.3Very high1 Ų134.3 Ų34.31%0.00619%0.185CC..Hα-helixtrans-58.8-46.4173.9171.40000110.3C42 L43 V46 L76 E77 I83 Q84 L369 L373C42-V80 HydrophobicContact CB-CG2 4.26Å; L43-V80 HydrophobicContact CD2-CG2 4.44Å; V46-V80 HydrophobicContact CG1-CG1 3.74Å; V46-V80 HydrophobicContact CG2-CG1 4.43Å; L76-V80 HydrophobicContact CD1-CG2 4.34Å; L76-V80 HydrophobicContact CG-CG2 4.4Å; L76-V80 WeakPolarHBondContact O-CG2 3.33Å; L76-V80 PolarHBondContact O-N 3.36Å; E77-V80 PolarHBondContact O-N 2.83Å; V80-I83 PolarHBondContact O-N 3.19Å; V80-Q84 WeakPolarHBondContact O-CB 3.39Å; V80-Q84 WeakPolarHBondContact O-CG 3.39Å; V80-Q84 PolarHBondContact O-N 3.17Å; V80-L369 HydrophobicContact CG1-CD1 4.27Å; V80-L373 HydrophobicContact CG1-CD1 3.97Å; V80-L373 HydrophobicContact CG1-CD2 4.21Å; V80-L373 HydrophobicContact CG2-CD1 4.34Å
81Q97.7Very high96.5Very high77 Ų7738.5 Ų38.536%0.3621%0.205SC..Hα-helixtrans-64.7-43.8178.4-73.8177.98.300112.3E77 M78 Y79 I83 Q84 K85E77-Q81 HydrophobicContact CG-CG 4.47Å; E77-Q81 WeakPolarHBondContact O-CB 3.45Å; E77-Q81 VanDerWaalsContact O-CG 3.28Å; E77-Q81 WeakPolarHBondContact O-CG 3.46Å; E77-Q81 PolarHBondContact O-N 3.31Å; E77-Q81 PolarHBondContact OE1-NE2 3.25Å; M78-Q81 PolarHBondContact O-N 3.47Å; Y79-Q81 VanDerWaalsContact C-N 3.32Å; Y79-Q81 PolarHBondContact O-N 2.98Å; Q81-I83 VanDerWaalsContact C-N 3.3Å; Q81-I83 PolarHBondContact O-N 3.17Å; Q81-Q84 PolarHBondContact O-N 3.37Å; Q81-K85 WeakPolarHBondContact O-CB 3.23Å; Q81-K85 VanDerWaalsContact O-CG 3.25Å; Q81-K85 WeakPolarHBondContact O-CG 3.27Å; Q81-K85 PolarHBondContact O-N 3.45Å
82D98.1Very high96.8Very high8 Ų839.6 Ų39.64%0.04321%0.213CC..Hα-helixtrans-59.4-41.3178.4-86.6-15.1000111.8M78 Y79 G86 V87 C88 R286 T291M78-D82 PolarHBondContact O-N 3.12Å; Y79-D82 PolarHBondContact O-N 2.93Å; D82-G86 PolarHBondContact O-N 2.74Å; D82-V87 HydrophobicContact CB-CG2 3.88Å; D82-V87 VanDerWaalsContact O-CG2 3.26Å; D82-V87 WeakPolarHBondContact O-CG2 3.4Å; D82-V87 PolarHBondContact O-N 2.64Å; D82-V87 WeakPolarHBondContact OD1-CG2 3.47Å; D82-C88 HydrophobicContact CB-CB 4.14Å; D82-C88 PolarHBondContact O-N 3.27Å; D82-R286 IonicContact OD1-CZ 2.63Å; D82-R286 IonicContact OD1-NH1 3.61Å; D82-R286 PolarHBondContact OD1-NH1 2.85Å; D82-R286 IonicContact OD1-NH2 2.74Å; D82-R286 PolarHBondContact OD1-NH2 2.84Å; D82-R286 IonicContact OD2-CZ 2.78Å; D82-R286 IonicContact OD2-NH1 3.81Å; D82-R286 IonicContact OD2-NH2 3.56Å; D82-R286 PolarHBondContact OD2-NH2 3.18Å; D82-T291 WeakPolarHBondContact OD1-CG2 3.28Å
83I98.3Very high96.9Very high12 Ų1242.8 Ų42.86%0.06223%0.227CC..Hα-helixtrans-66.2-49.8174.6-67.5168.3000110.9L43 V46 A48 Y79 V80 Q81 K85 G86 C88 T90 L112L43-I83 HydrophobicContact CD2-CD1 3.95Å; V46-I83 HydrophobicContact CB-CB 4.41Å; V46-I83 HydrophobicContact CB-CG2 3.88Å; V46-I83 HydrophobicContact CG2-CB 3.91Å; V46-I83 HydrophobicContact CG2-CD1 3.88Å; V46-I83 HydrophobicContact CG2-CG2 3.7Å; V46-I83 WeakPolarHBondContact O-CG2 2.89Å; A48-I83 HydrophobicContact CB-CD1 4.2Å; Y79-I83 WeakPolarHBondContact O-CG1 3.34Å; Y79-I83 PolarHBondContact O-N 3.04Å; Y79-I83 VanDerWaalsContact O-N 3.09Å; V80-I83 PolarHBondContact O-N 3.19Å; Q81-I83 VanDerWaalsContact C-N 3.3Å; Q81-I83 PolarHBondContact O-N 3.17Å; I83-K85 PolarHBondContact O-N 3Å; I83-G86 PolarHBondContact O-N 3.47Å; I83-C88 HydrophobicContact CG1-CB 4.03Å; I83-T90 HydrophobicContact CB-CG2 4.35Å; I83-T90 HydrophobicContact CD1-CG2 4.24Å; I83-T90 HydrophobicContact CG1-CG2 4.03Å; I83-T90 HydrophobicContact CG2-CG2 3.45Å; I83-T90 VanDerWaalsContact CG2-CG2 3.45Å; I83-L112 HydrophobicContact CD1-CD1 4.4Å; I83-L112 HydrophobicContact CD1-CD2 4.24Å
84Q97.3Very high97.1Very high96 Ų9643 Ų4345%0.44923%0.229SC..Hα-helixtrans-59.9-30.4-179.7-76178.6-2600113.3V46 V80 Q81 G86V46-Q84 HydrophobicContact CB-CG 4.02Å; V46-Q84 HydrophobicContact CG1-CG 3.57Å; V80-Q84 WeakPolarHBondContact O-CB 3.39Å; V80-Q84 WeakPolarHBondContact O-CG 3.39Å; V80-Q84 PolarHBondContact O-N 3.17Å; Q81-Q84 PolarHBondContact O-N 3.37Å; Q84-G86 VanDerWaalsContact C-N 3.32Å
85K97.4Very high97.3Very high140 Ų14043.1 Ų43.161%0.60923%0.232SC*.THydrogen-bonded Turntrans-85.4-2.6177.3-65.4-63-175.9-176.30113.5Q81 I83 V87 T291Q81-K85 WeakPolarHBondContact O-CB 3.23Å; Q81-K85 VanDerWaalsContact O-CG 3.25Å; Q81-K85 WeakPolarHBondContact O-CG 3.27Å; Q81-K85 PolarHBondContact O-N 3.45Å; I83-K85 PolarHBondContact O-N 3Å; K85-V87 HydrophobicContact CB-CG2 4.34Å; K85-V87 PolarHBondContact O-N 2.81Å; K85-T291 HydrophobicContact CB-CG2 4.15Å; K85-T291 HydrophobicContact CG-CG2 4.05Å
86G96.2Very high97.6Very high59 Ų5944.8 Ų44.861%0.60824%0.242SC*.THydrogen-bonded Turntrans69.916.2179.900000113.9D82 I83 Q84 C88D82-G86 PolarHBondContact O-N 2.74Å; I83-G86 PolarHBondContact O-N 3.47Å; Q84-G86 VanDerWaalsContact C-N 3.32Å; G86-C88 VanDerWaalsContact C-N 3.34Å
87V97.3Very high97.6Very high8 Ų848.3 Ų48.35%0.04826%0.263CS..SBendtrans-90.9-1.2174.5-63.30000112.5D82 K85 N110 T291D82-V87 HydrophobicContact CB-CG2 3.88Å; D82-V87 VanDerWaalsContact O-CG2 3.26Å; D82-V87 WeakPolarHBondContact O-CG2 3.4Å; D82-V87 PolarHBondContact O-N 2.64Å; D82-V87 WeakPolarHBondContact OD1-CG2 3.47Å; K85-V87 HydrophobicContact CB-CG2 4.34Å; K85-V87 PolarHBondContact O-N 2.81Å; V87-N110 PolarHBondContact O-ND2 3.16Å; V87-N110 PolarHBondContact O-OD1 2.84Å; V87-T291 WeakPolarHBondContact CG1-O 3.41Å; V87-T291 HydrophobicContact CG2-CG2 3.95Å
88C98.2Very high97.7Very high6 Ų652.1 Ų52.14%0.04128%0.279CS..SBendtrans-129.1126167.4-1780000109.3D82 I83 G86 N110D82-C88 HydrophobicContact CB-CB 4.14Å; D82-C88 PolarHBondContact O-N 3.27Å; I83-C88 HydrophobicContact CG1-CB 4.03Å; G86-C88 VanDerWaalsContact C-N 3.34Å; C88-N110 CarbonylContact C-O 3.56Å; C88-N110 WeakPolarHBondContact CA-O 3.11Å
89S98Very high97.8Very high30 Ų3056.7 Ų56.721%0.2130%0.3CS..  trans-75.8146.5177.1-61.60000111.1K109 N110S89-K109 PolarHBondContact OG-O 3.38Å; S89-N110 PolarHBondContact N-O 3.37Å
90T96.6Very high97.8Very high32 Ų3260.3 Ų60.320%0.19632%0.322CS..SBendtrans-120.8-6.2-176.1560000114.1G47 Q49 I83G47-T90 VanDerWaalsContact O-CB 3.32Å; G47-T90 WeakPolarHBondContact O-CB 3.42Å; G47-T90 PolarHBondContact O-OG1 3.34Å; Q49-T90 WeakPolarHBondContact CG-O 3.45Å; I83-T90 HydrophobicContact CB-CG2 4.35Å; I83-T90 HydrophobicContact CD1-CG2 4.24Å; I83-T90 HydrophobicContact CG1-CG2 4.03Å; I83-T90 HydrophobicContact CG2-CG2 3.45Å; I83-T90 VanDerWaalsContact CG2-CG2 3.45Å
91D93.4Very high97.8Very high114 Ų11465.5 Ų65.561%0.6135%0.354SS*.SBendtrans-127.57.2-168.564.1-24.4000113.9
92L97.7Very high97.9Very high74 Ų7463.2 Ų63.239%0.38735%0.346SS..  trans-109.8171.5178.3-60.5177.2000111.4H52 K109 V111H52-L92 PolarHBondContact CE1-O 3.05Å; H52-L92 PolarHBondContact NE2-O 2.88Å; L92-K109 HydrophobicContact CB-CB 3.79Å; L92-K109 HydrophobicContact CD1-CB 4.01Å; L92-V111 HydrophobicContact CB-CG1 3.99Å; L92-V111 WeakPolarHBondContact O-CG1 3.41Å
93E98.4Very high97.9Very high66 Ų6665.4 Ų65.431%0.30836%0.36SS..  trans-132147.2176.9-66.1-58.913600111.5K51 H52 K109K51-E93 WeakPolarHBondContact CE-OE1 3.4Å; K51-E93 IonicContact NZ-OE1 3.62Å; K51-E93 PolarHBondContact NZ-OE1 2.99Å; K51-E93 IonicContact NZ-OE2 2.68Å; K51-E93 PolarHBondContact NZ-OE2 3.32Å; H52-E93 IonicContact CD2-OE1 3.77Å; H52-E93 IonicContact CE1-OE1 3.31Å; H52-E93 PolarHBondContact CE1-OE1 2.94Å; H52-E93 IonicContact NE2-OE1 3.47Å; H52-E93 PolarHBondContact NE2-OE1 2.85Å; H52-E93 IonicContact NE2-OE2 2.67Å; E93-K109 VanDerWaalsContact O-CG 3.23Å; E93-K109 WeakPolarHBondContact O-CG 3.47Å
94P98.7Very high97.9Very high6 Ų665.1 Ų65.14%0.03936%0.36CS..  trans-58.1143.2169.1-21.433000111.5V106 D107 V111 V115 V116 F119P94-V106 HydrophobicContact CB-CG1 3.88Å; P94-D107 CarbonylContact C-O 3.51Å; P94-D107 VanDerWaalsContact CA-O 3.27Å; P94-D107 WeakPolarHBondContact CA-O 3.31Å; P94-V111 HydrophobicContact CG-CG2 4.09Å; P94-V115 HydrophobicContact CG-CG1 3.99Å; P94-V116 HydrophobicContact CG-CG2 4.2Å; P94-F119 HydrophobicContact CB-CB 4.13Å; P94-F119 HydrophobicContact CB-CD1 3.83Å; P94-F119 HydrophobicContact CB-CD2 4.3Å; P94-F119 HydrophobicContact CB-CE1 4.32Å; P94-F119 HydrophobicContact CB-CG 3.82Å; P94-F119 HydrophobicContact CG-CB 4.22Å; P94-F119 HydrophobicContact CG-CG 4.38Å
95T98.8Very high98Very high59 Ų5962.5 Ų62.536%0.36235%0.348SS..EExtended strand (participates in β ladder)trans-138.6143.918052.70000111.1V106 D107T95-V106 CarbonylContact O-C 3.53Å; T95-V106 WeakPolarHBondContact O-CA 3.26Å; T95-D107 PolarHBondContact N-O 3.21Å; T95-D107 PolarHBondContact O-N 3.45Å
96I98.9Very high98.1Very high59 Ų5955.9 Ų55.930%0.30332%0.319SS..EExtended strand (participates in β ladder)trans-77.2123.9171.7-62.2173.7000108.2E99 A104 L105 V106 F119 T123I96-E99 HydrophobicContact CG2-CB 3.89Å; I96-E99 HydrophobicContact CG2-CG 4.18Å; I96-A104 HydrophobicContact CD1-CB 4.45Å; I96-A104 HydrophobicContact CG1-CB 4.49Å; I96-A104 HydrophobicContact CG2-CB 4.2Å; I96-L105 WeakPolarHBondContact CA-O 3.3Å; I96-V106 HydrophobicContact CG1-CG2 4.26Å; I96-F119 HydrophobicContact CG1-CE1 3.91Å; I96-F119 HydrophobicContact CG1-CZ 4.08Å; I96-T123 HydrophobicContact CD1-CG2 3.89Å
97V98.7Very high98.2Very high75 Ų7554.2 Ų54.246%0.45530%0.297SS..EExtended strand (participates in β ladder)trans-104.2-17.5178.9-63.60000113L105 D107 F139V97-L105 HydrophobicContact CG2-CB 4.09Å; V97-L105 HydrophobicContact CG2-CD2 3.84Å; V97-L105 HydrophobicContact CG2-CG 3.74Å; V97-L105 WeakPolarHBondContact CG2-O 3.42Å; V97-L105 PolarHBondContact N-O 3.19Å; V97-D107 HydrophobicContact CG1-CB 3.71Å; V97-F139 HydrophobicContact CG2-CE1 3.96Å; V97-F139 HydrophobicContact CG2-CZ 4.45Å
98K98.8Very high98.3Very high154 Ų15453.8 Ų53.867%0.6729%0.294SS*.EExtended strand (participates in β ladder)trans-158.1139.1175.6-173176.3-178.3178.80109.6A104 L105K98-A104 CarbonylContact O-C 3.57Å; K98-A104 WeakPolarHBondContact O-CA 3.11Å; K98-L105 HydrophobicContact CB-CB 4.15Å; K98-L105 PolarHBondContact O-N 3.45Å
99E98.7Very high98.3Very high113 Ų11357.1 Ų57.153%0.52831%0.308SS..EExtended strand (participates in β ladder)trans-150.1159.9176.963.4-179.9124.100113.7I96 T103 A104 K127I96-E99 HydrophobicContact CG2-CB 3.89Å; I96-E99 HydrophobicContact CG2-CG 4.18Å; E99-T103 VanDerWaalsContact CA-O 3.3Å; E99-T103 WeakPolarHBondContact CA-O 3.42Å; E99-T103 VanDerWaalsContact CB-O 3.32Å; E99-T103 WeakPolarHBondContact CB-O 3.1Å; E99-A104 HydrophobicContact CB-CB 4.2Å; E99-K127 IonicContact OE2-NZ 2.69Å; E99-K127 PolarHBondContact OE2-NZ 3.31Å
100T98.7Very high98.3Very high78 Ų7856.8 Ų56.848%0.47930%0.304SS..  trans-123.8-173.6162.172.60000108.4S102 T103 K127T100-S102 PolarHBondContact O-N 2.8Å; T100-S102 PolarHBondContact OG1-N 3.13Å; T100-T103 WeakPolarHBondContact CG2-OG1 3.31Å; T100-T103 PolarHBondContact N-O 3.46Å; T100-T103 PolarHBondContact OG1-N 2.97Å; T100-T103 VanDerWaalsContact OG1-N 3.11Å; T100-T103 PolarHBondContact OG1-OG1 2.71Å; T100-K127 PolarHBondContact O-NZ 2.7Å
101V98.5Very high98.4Very high109 Ų10955.3 Ų55.366%0.66130%0.295SS*.SBendtrans-58.8-32.9174.8-62.40000112.8T131V101-T131 HydrophobicContact CB-CG2 4.15Å; V101-T131 HydrophobicContact CG2-CG2 4.39Å
102S98.6Very high98.7Very high29 Ų2950 Ų5020%0.20327%0.266CS..SBendtrans-122.47.8-174.9-59.70000113.8T100 T131 I133 A134 F135T100-S102 PolarHBondContact O-N 2.8Å; T100-S102 PolarHBondContact OG1-N 3.13Å; S102-T131 WeakPolarHBondContact OG-CB 3.35Å; S102-T131 WeakPolarHBondContact OG-CG2 3.39Å; S102-T131 PolarHBondContact OG-OG1 3.35Å; S102-I133 WeakPolarHBondContact CB-O 3.16Å; S102-I133 PolarHBondContact OG-O 2.93Å; S102-A134 CarbonylContact O-C 3.57Å; S102-A134 WeakPolarHBondContact O-CA 3.36Å; S102-F135 PolarHBondContact O-N 2.65Å
103T98.9Very high98.7Very high55 Ų5546.4 Ų46.434%0.33725%0.248SC..EExtended strand (participates in β ladder)trans-139.3154.6178.167.30000112.7E99 T100 F135E99-T103 VanDerWaalsContact CA-O 3.3Å; E99-T103 WeakPolarHBondContact CA-O 3.42Å; E99-T103 VanDerWaalsContact CB-O 3.32Å; E99-T103 WeakPolarHBondContact CB-O 3.1Å; T100-T103 WeakPolarHBondContact CG2-OG1 3.31Å; T100-T103 PolarHBondContact N-O 3.46Å; T100-T103 PolarHBondContact OG1-N 2.97Å; T100-T103 VanDerWaalsContact OG1-N 3.11Å; T100-T103 PolarHBondContact OG1-OG1 2.71Å; T103-F135 WeakPolarHBondContact CA-O 3.48Å; T103-F135 WeakPolarHBondContact CB-O 3.27Å; T103-F135 HydrophobicContact CG2-CB 4.5Å
104A98.9Very high98.7Very high6 Ų643.3 Ų43.35%0.0523%0.233CC..EExtended strand (participates in β ladder)trans-145.4150.7167.100000111.5I96 K98 E99 T123 F135 V136 A137I96-A104 HydrophobicContact CD1-CB 4.45Å; I96-A104 HydrophobicContact CG1-CB 4.49Å; I96-A104 HydrophobicContact CG2-CB 4.2Å; K98-A104 CarbonylContact O-C 3.57Å; K98-A104 WeakPolarHBondContact O-CA 3.11Å; E99-A104 HydrophobicContact CB-CB 4.2Å; A104-T123 HydrophobicContact CB-CG2 3.99Å; A104-F135 PolarHBondContact N-O 3.17Å; A104-V136 HydrophobicContact CB-CG1 4.17Å; A104-V136 HydrophobicContact CB-CG2 4.08Å; A104-V136 WeakPolarHBondContact O-CA 3.45Å; A104-A137 PolarHBondContact O-N 2.92Å
105L98.9Very high98.7Very high41 Ų4143.7 Ų43.722%0.21524%0.235CC..EExtended strand (participates in β ladder)trans-111.7122.3165.4-178.662.8000108.1I96 V97 K98 A137 F139 A277I96-L105 WeakPolarHBondContact CA-O 3.3Å; V97-L105 HydrophobicContact CG2-CB 4.09Å; V97-L105 HydrophobicContact CG2-CD2 3.84Å; V97-L105 HydrophobicContact CG2-CG 3.74Å; V97-L105 WeakPolarHBondContact CG2-O 3.42Å; V97-L105 PolarHBondContact N-O 3.19Å; K98-L105 HydrophobicContact CB-CB 4.15Å; K98-L105 PolarHBondContact O-N 3.45Å; L105-A137 CarbonylContact C-O 3.13Å; L105-A137 WeakPolarHBondContact CA-O 3.38Å; L105-A137 HydrophobicContact CD1-CB 4.12Å; L105-F139 HydrophobicContact CD1-CD1 3.93Å; L105-F139 HydrophobicContact CD1-CE1 4.31Å; L105-F139 HydrophobicContact CD2-CE1 4.32Å; L105-F139 HydrophobicContact CG-CD1 4.21Å; L105-F139 HydrophobicContact CG-CE1 4.08Å; L105-A277 HydrophobicContact CD1-CB 4.05Å
106V98.9Very high98.7Very high0 Ų040.9 Ų40.90%022%0.218CC..EExtended strand (participates in β ladder)trans-108126.8-177.4177.90000110.1P94 T95 I96 F119 V136 A137 A138 F139P94-V106 HydrophobicContact CB-CG1 3.88Å; T95-V106 CarbonylContact O-C 3.53Å; T95-V106 WeakPolarHBondContact O-CA 3.26Å; I96-V106 HydrophobicContact CG1-CG2 4.26Å; V106-F119 HydrophobicContact CG1-CD1 3.76Å; V106-F119 HydrophobicContact CG1-CE1 3.87Å; V106-F119 HydrophobicContact CG2-CD1 4.06Å; V106-F119 HydrophobicContact CG2-CE1 3.86Å; V106-V136 HydrophobicContact CG2-CG1 3.7Å; V106-A137 PolarHBondContact N-O 2.94Å; V106-A138 HydrophobicContact CB-CB 3.94Å; V106-A138 HydrophobicContact CG1-CB 4.42Å; V106-A138 CarbonylContact O-C 3.58Å; V106-A138 VanDerWaalsContact O-CA 3.23Å; V106-A138 WeakPolarHBondContact O-CA 3.45Å; V106-F139 WeakPolarHBondContact O-CD1 3.44Å; V106-F139 PolarHBondContact O-N 3.25Å
107D98.9Very high98.7Very high24 Ų2438 Ų3813%0.12820%0.203CC..EExtended strand (participates in β ladder)trans-87111.8163.4-176.4-13.3000108.2P94 T95 V97 K109 F139P94-D107 CarbonylContact C-O 3.51Å; P94-D107 VanDerWaalsContact CA-O 3.27Å; P94-D107 WeakPolarHBondContact CA-O 3.31Å; T95-D107 PolarHBondContact N-O 3.21Å; T95-D107 PolarHBondContact O-N 3.45Å; V97-D107 HydrophobicContact CG1-CB 3.71Å; D107-K109 PolarHBondContact O-N 3.37Å; D107-K109 WeakPolarHBondContact OD1-CA 3.21Å; D107-K109 PolarHBondContact OD1-N 3.08Å; D107-K109 WeakPolarHBondContact OD2-CD 3.42Å; D107-K109 WeakPolarHBondContact OD2-CE 3.37Å; D107-K109 IonicContact OD2-NZ 2.67Å; D107-K109 PolarHBondContact OD2-NZ 3.02Å; D107-F139 HydrophobicContact CB-CE1 3.77Å; D107-F139 HydrophobicContact CB-CE2 4.07Å; D107-F139 HydrophobicContact CB-CZ 3.43Å; D107-F139 VanDerWaalsContact CB-CZ 3.43Å
108G98.8Very high98.7Very high0 Ų035.5 Ų35.50%019%0.187CC..  trans-73-6.6178.700000114.2N110 V111 F139 G140G108-N110 PolarHBondContact O-N 2.93Å; G108-V111 WeakPolarHBondContact O-CG2 3.29Å; G108-V111 PolarHBondContact O-N 2.87Å; G108-V111 VanDerWaalsContact O-N 3.13Å; G108-F139 WeakPolarHBondContact CA-O 3.43Å; G108-F139 PolarHBondContact N-O 3.39Å; G108-G140 CarbonylContact C-O 3.57Å
109K98.6Very high98.7Very high76 Ų7631.1 Ų31.133%0.3317%0.168SC..THydrogen-bonded Turntrans51.631.1177.6-60.1-62.6-176.4-166.50114S89 L92 E93 D107 V111S89-K109 PolarHBondContact OG-O 3.38Å; L92-K109 HydrophobicContact CB-CB 3.79Å; L92-K109 HydrophobicContact CD1-CB 4.01Å; E93-K109 VanDerWaalsContact O-CG 3.23Å; E93-K109 WeakPolarHBondContact O-CG 3.47Å; D107-K109 PolarHBondContact O-N 3.37Å; D107-K109 WeakPolarHBondContact OD1-CA 3.21Å; D107-K109 PolarHBondContact OD1-N 3.08Å; D107-K109 WeakPolarHBondContact OD2-CD 3.42Å; D107-K109 WeakPolarHBondContact OD2-CE 3.37Å; D107-K109 IonicContact OD2-NZ 2.67Å; D107-K109 PolarHBondContact OD2-NZ 3.02Å; K109-V111 PolarHBondContact O-N 3.44Å
110N98.4Very high98.8Very high23 Ų2325.8 Ų25.812%0.12314%0.143CC..THydrogen-bonded Turntrans57.924.7179.8-165.548.3000114.8V87 C88 S89 G108 G140 N142V87-N110 PolarHBondContact O-ND2 3.16Å; V87-N110 PolarHBondContact O-OD1 2.84Å; C88-N110 CarbonylContact C-O 3.56Å; C88-N110 WeakPolarHBondContact CA-O 3.11Å; S89-N110 PolarHBondContact N-O 3.37Å; G108-N110 PolarHBondContact O-N 2.93Å; N110-G140 WeakPolarHBondContact CA-O 3.41Å; N110-G140 PolarHBondContact N-O 3.48Å; N110-N142 PolarHBondContact O-ND2 2.94Å; N110-N142 PolarHBondContact OD1-ND2 3.31Å
111V98.7Very high98.8Very high0 Ų022 Ų220%012%0.121CC..  trans-78.1-178.8175.8-510000111.7L92 P94 G108 K109 G113 V115 V116 N142L92-V111 HydrophobicContact CB-CG1 3.99Å; L92-V111 WeakPolarHBondContact O-CG1 3.41Å; P94-V111 HydrophobicContact CG-CG2 4.09Å; G108-V111 WeakPolarHBondContact O-CG2 3.29Å; G108-V111 PolarHBondContact O-N 2.87Å; G108-V111 VanDerWaalsContact O-N 3.13Å; K109-V111 PolarHBondContact O-N 3.44Å; V111-G113 PolarHBondContact O-N 3.3Å; V111-V115 HydrophobicContact CG2-CB 3.81Å; V111-V115 HydrophobicContact CG2-CG1 3.9Å; V111-V116 HydrophobicContact CG2-CG2 3.62Å; V111-N142 PolarHBondContact O-ND2 3.29Å
112L98.6Very high98.8Very high2 Ų222 Ų221%0.0111%0.113CC..  trans-57.1134.3176-73.6174.5000111.4H52 L56 Y79 I83 P114 V115 V116H52-L112 HydrophobicContact CB-CD1 4.21Å; L56-L112 HydrophobicContact CB-CD1 4.1Å; L56-L112 HydrophobicContact CD2-CD1 3.92Å; L56-L112 HydrophobicContact CD2-CD2 3.96Å; Y79-L112 HydrophobicContact CD1-CD2 4.1Å; I83-L112 HydrophobicContact CD1-CD1 4.4Å; I83-L112 HydrophobicContact CD1-CD2 4.24Å; L112-P114 VanDerWaalsContact C-N 3.35Å; L112-V115 HydrophobicContact CB-CG2 4.03Å; L112-V115 WeakPolarHBondContact O-CB 3.32Å; L112-V115 PolarHBondContact O-N 3.03Å; L112-V116 PolarHBondContact O-N 3.46Å
113G98.5Very high98.8Very high0 Ų021.5 Ų21.50%011%0.109CC..Hα-helixtrans-51.2-43.8-176.800000114.5V111 V115 V116 G117 N142V111-G113 PolarHBondContact O-N 3.3Å; G113-V115 PolarHBondContact O-N 3.11Å; G113-V116 PolarHBondContact O-N 3.45Å; G113-G117 PolarHBondContact O-N 2.92Å; G113-N142 WeakPolarHBondContact CA-O 3.37Å
114P98.7Very high98.8Very high0 Ų018.9 Ų18.90%09%0.093CC..Hα-helixtrans-60.9-28176.2-3243.2000115.5A55 L56 V59 L112 N118 Y150A55-P114 HydrophobicContact CB-CB 4.34Å; L56-P114 HydrophobicContact CB-CG 4.3Å; L56-P114 HydrophobicContact CD1-CG 3.74Å; V59-P114 HydrophobicContact CB-CB 4.32Å; V59-P114 HydrophobicContact CB-CG 4.11Å; V59-P114 HydrophobicContact CG1-CG 4.38Å; V59-P114 HydrophobicContact CG2-CB 3.74Å; V59-P114 HydrophobicContact CG2-CG 4.03Å; L112-P114 VanDerWaalsContact C-N 3.35Å; P114-N118 VanDerWaalsContact O-CB 3.24Å; P114-N118 WeakPolarHBondContact O-CB 3.33Å; P114-N118 PolarHBondContact O-N 2.93Å; P114-N118 PolarHBondContact O-ND2 3.14Å; P114-N118 PolarHBondContact O-OD1 3.33Å; P114-Y150 WeakPolarHBondContact CA-OH 3.29Å
115V98.8Very high98.8Very high14 Ų1419.4 Ų19.49%0.0859%0.094CC..Hα-helixtrans-70.8-46.2175.6-177.20000109.8H52 A55 P94 V111 L112 G113 F119H52-V115 HydrophobicContact CB-CG2 3.66Å; A55-V115 HydrophobicContact CB-CG2 3.97Å; P94-V115 HydrophobicContact CG-CG1 3.99Å; V111-V115 HydrophobicContact CG2-CB 3.81Å; V111-V115 HydrophobicContact CG2-CG1 3.9Å; L112-V115 HydrophobicContact CB-CG2 4.03Å; L112-V115 WeakPolarHBondContact O-CB 3.32Å; L112-V115 PolarHBondContact O-N 3.03Å; G113-V115 PolarHBondContact O-N 3.11Å; V115-F119 WeakPolarHBondContact O-CB 3.4Å; V115-F119 PolarHBondContact O-N 2.95Å; V115-F119 VanDerWaalsContact O-N 3.12Å
116V98.9Very high98.8Very high0 Ų024 Ų240%011%0.113CC..Hα-helixtrans-63.2-44.6176.4-174.60000110.8P94 V111 L112 G113 S120 A138 S141P94-V116 HydrophobicContact CG-CG2 4.2Å; V111-V116 HydrophobicContact CG2-CG2 3.62Å; L112-V116 PolarHBondContact O-N 3.46Å; G113-V116 PolarHBondContact O-N 3.45Å; V116-S120 VanDerWaalsContact O-CB 3.26Å; V116-S120 WeakPolarHBondContact O-CB 3.49Å; V116-S120 PolarHBondContact O-N 3.19Å; V116-S120 PolarHBondContact O-OG 2.95Å; V116-A138 HydrophobicContact CG1-CB 3.75Å; V116-S141 WeakPolarHBondContact CB-OG 3.31Å
117G98.9Very high98.8Very high0 Ų024.8 Ų24.80%012%0.116CC..Hα-helixtrans-67.3-44.1-178.400000113.1G113 S120 M121 Y150 F301G113-G117 PolarHBondContact O-N 2.92Å; G117-S120 PolarHBondContact O-N 3.47Å; G117-M121 VanDerWaalsContact O-CB 3.31Å; G117-M121 WeakPolarHBondContact O-CB 3.41Å; G117-M121 PolarHBondContact O-N 3.05Å; G117-Y150 VanDerWaalsContact C-CD1 3.47Å; G117-Y150 VanDerWaalsContact C-CE1 3.44Å; G117-Y150 VanDerWaalsContact CA-CE1 3.45Å; G117-F301 VanDerWaalsContact CA-CZ 3.47Å
118N98.9Very high98.8Very high22 Ų2223.7 Ų23.712%0.11811%0.11CC..Hα-helixtrans-61.1-50175.9-71.4-2.2000110.7P114 S120 M121 E122 W149 M153P114-N118 VanDerWaalsContact O-CB 3.24Å; P114-N118 WeakPolarHBondContact O-CB 3.33Å; P114-N118 PolarHBondContact O-N 2.93Å; P114-N118 PolarHBondContact O-ND2 3.14Å; P114-N118 PolarHBondContact O-OD1 3.33Å; N118-S120 VanDerWaalsContact C-N 3.29Å; N118-S120 PolarHBondContact O-N 2.88Å; N118-M121 PolarHBondContact O-N 2.7Å; N118-E122 VanDerWaalsContact O-CB 3.29Å; N118-E122 WeakPolarHBondContact O-CB 3.38Å; N118-E122 WeakPolarHBondContact O-CG 3.26Å; N118-E122 PolarHBondContact O-N 3.31Å; N118-W149 PolarHBondContact OD1-NE1 3.17Å; N118-M153 HydrophobicContact CB-CE 4.2Å
119F98.9Very high98.8Very high62 Ų6227.8 Ų27.827%0.27213%0.132SC..Hα-helixtrans-56.6-43.9177.8179.8-86.2000112.2P94 I96 V106 V115 T123P94-F119 HydrophobicContact CB-CB 4.13Å; P94-F119 HydrophobicContact CB-CD1 3.83Å; P94-F119 HydrophobicContact CB-CD2 4.3Å; P94-F119 HydrophobicContact CB-CE1 4.32Å; P94-F119 HydrophobicContact CB-CG 3.82Å; P94-F119 HydrophobicContact CG-CB 4.22Å; P94-F119 HydrophobicContact CG-CG 4.38Å; I96-F119 HydrophobicContact CG1-CE1 3.91Å; I96-F119 HydrophobicContact CG1-CZ 4.08Å; V106-F119 HydrophobicContact CG1-CD1 3.76Å; V106-F119 HydrophobicContact CG1-CE1 3.87Å; V106-F119 HydrophobicContact CG2-CD1 4.06Å; V106-F119 HydrophobicContact CG2-CE1 3.86Å; V115-F119 WeakPolarHBondContact O-CB 3.4Å; V115-F119 PolarHBondContact O-N 2.95Å; V115-F119 VanDerWaalsContact O-N 3.12Å; F119-T123 WeakPolarHBondContact O-CB 3.32Å; F119-T123 PolarHBondContact O-N 3.19Å; F119-T123 PolarHBondContact O-OG1 3.48Å
120S98.9Very high98.8Very high0 Ų030.7 Ų30.70%015%0.147CC..Hα-helixtrans-71.5-41.6-176.8-58.40000112.2V116 G117 N118 T123 A124V116-S120 VanDerWaalsContact O-CB 3.26Å; V116-S120 WeakPolarHBondContact O-CB 3.49Å; V116-S120 PolarHBondContact O-N 3.19Å; V116-S120 PolarHBondContact O-OG 2.95Å; G117-S120 PolarHBondContact O-N 3.47Å; N118-S120 VanDerWaalsContact C-N 3.29Å; N118-S120 PolarHBondContact O-N 2.88Å; S120-T123 WeakPolarHBondContact O-CB 3.42Å; S120-T123 PolarHBondContact O-N 3.46Å; S120-A124 PolarHBondContact O-N 3.42Å
121M98.9Very high98.8Very high0 Ų032.2 Ų32.20%016%0.157CC..Hα-helixtrans-69.5-40.5176.8-171.268.1-126.700111.8G117 N118 T123 A124 I125 Y150 M153 A154 F301 A303G117-M121 VanDerWaalsContact O-CB 3.31Å; G117-M121 WeakPolarHBondContact O-CB 3.41Å; G117-M121 PolarHBondContact O-N 3.05Å; N118-M121 PolarHBondContact O-N 2.7Å; M121-T123 VanDerWaalsContact C-N 3.29Å; M121-T123 PolarHBondContact O-N 3.14Å; M121-A124 HydrophobicContact CE-CB 4.15Å; M121-A124 WeakPolarHBondContact O-CB 3.45Å; M121-A124 PolarHBondContact O-N 3.07Å; M121-A124 VanDerWaalsContact O-N 3.17Å; M121-I125 HydrophobicContact CE-CD1 4.09Å; M121-I125 HydrophobicContact CE-CG1 3.63Å; M121-I125 HydrophobicContact CG-CD1 4.16Å; M121-I125 VanDerWaalsContact O-CG1 3.27Å; M121-I125 WeakPolarHBondContact O-CG1 3.38Å; M121-I125 PolarHBondContact O-N 2.82Å; M121-Y150 WeakPolarHBondContact CG-O 3.22Å; M121-M153 HydrophobicContact CB-CE 4.26Å; M121-M153 HydrophobicContact CB-SD 4.21Å; M121-M153 HydrophobicContact CG-CB 4.05Å; M121-M153 HydrophobicContact CG-CE 4.46Å; M121-M153 HydrophobicContact CG-SD 4.23Å; M121-A154 HydrophobicContact CE-CB 3.4Å; M121-F301 HydrophobicContact CB-CD1 4.03Å; M121-F301 HydrophobicContact CB-CG 4.39Å; M121-F301 HydrophobicContact SD-CB 3.92Å; M121-F301 HydrophobicContact SD-CD1 4.1Å; M121-F301 HydrophobicContact SD-CG 4.44Å; M121-A303 HydrophobicContact CE-CB 3.75Å
122E98.9Very high98.7Very high109 Ų10932.8 Ų32.851%0.50916%0.163SC..Hα-helixtrans-59.6-40.7172.2-74.8166.9-168.800111.4N118 I125 K126 M153N118-E122 VanDerWaalsContact O-CB 3.29Å; N118-E122 WeakPolarHBondContact O-CB 3.38Å; N118-E122 WeakPolarHBondContact O-CG 3.26Å; N118-E122 PolarHBondContact O-N 3.31Å; E122-I125 PolarHBondContact O-N 2.92Å; E122-K126 WeakPolarHBondContact O-CB 3.39Å; E122-K126 PolarHBondContact O-N 3.41Å; E122-M153 HydrophobicContact CG-CE 3.7Å
123T98.9Very high98.8Very high17 Ų1736.2 Ų36.210%0.10418%0.181CC..Hα-helixtrans-62.6-43.5173.8-60.50000111.5I96 A104 F119 S120 M121 K126 K127 V136I96-T123 HydrophobicContact CD1-CG2 3.89Å; A104-T123 HydrophobicContact CB-CG2 3.99Å; F119-T123 WeakPolarHBondContact O-CB 3.32Å; F119-T123 PolarHBondContact O-N 3.19Å; F119-T123 PolarHBondContact O-OG1 3.48Å; S120-T123 WeakPolarHBondContact O-CB 3.42Å; S120-T123 PolarHBondContact O-N 3.46Å; M121-T123 VanDerWaalsContact C-N 3.29Å; M121-T123 PolarHBondContact O-N 3.14Å; T123-K126 PolarHBondContact O-N 3.3Å; T123-K127 HydrophobicContact CG2-CD 4.23Å; T123-K127 WeakPolarHBondContact O-CG 3.31Å; T123-K127 PolarHBondContact O-N 3.41Å; T123-K127 VanDerWaalsContact O-N 3.08Å; T123-V136 HydrophobicContact CG2-CG2 3.95Å
124A98.9Very high98.8Very high0 Ų036.3 Ų36.30%018%0.181CC..Hα-helixtrans-63.1-47.1176.300000111.4S120 M121 K126 K127 A128 A134 V136 F301 A303S120-A124 PolarHBondContact O-N 3.42Å; M121-A124 HydrophobicContact CE-CB 4.15Å; M121-A124 WeakPolarHBondContact O-CB 3.45Å; M121-A124 PolarHBondContact O-N 3.07Å; M121-A124 VanDerWaalsContact O-N 3.17Å; A124-K126 PolarHBondContact O-N 3.34Å; A124-K127 PolarHBondContact O-N 3.49Å; A124-A128 VanDerWaalsContact O-CB 3.25Å; A124-A128 WeakPolarHBondContact O-CB 3.28Å; A124-A128 PolarHBondContact O-N 3.19Å; A124-A134 VanDerWaalsContact O-CB 3.31Å; A124-A134 WeakPolarHBondContact O-CB 3.35Å; A124-V136 HydrophobicContact CB-CB 4.36Å; A124-V136 HydrophobicContact CB-CG2 3.76Å; A124-F301 HydrophobicContact CB-CB 4.42Å; A124-A303 HydrophobicContact CB-CB 4.06Å
125I98.9Very high98.8Very high17 Ų1738.5 Ų38.59%0.08719%0.191CC..Hα-helixtrans-55.9-50.5176.3-72.3166.2000110.6M121 E122 K127 A128 N129 M153 A154 Q157 L159 A303M121-I125 HydrophobicContact CE-CD1 4.09Å; M121-I125 HydrophobicContact CE-CG1 3.63Å; M121-I125 HydrophobicContact CG-CD1 4.16Å; M121-I125 VanDerWaalsContact O-CG1 3.27Å; M121-I125 WeakPolarHBondContact O-CG1 3.38Å; M121-I125 PolarHBondContact O-N 2.82Å; E122-I125 PolarHBondContact O-N 2.92Å; I125-K127 PolarHBondContact O-N 3.42Å; I125-A128 PolarHBondContact O-N 2.61Å; I125-N129 PolarHBondContact O-N 3.47Å; I125-N129 PolarHBondContact O-ND2 3.07Å; I125-M153 HydrophobicContact CD1-CB 4.08Å; I125-A154 HydrophobicContact CD1-CB 4.45Å; I125-A154 HydrophobicContact CG1-CB 4.26Å; I125-Q157 HydrophobicContact CD1-CG 4.25Å; I125-Q157 HydrophobicContact CG2-CB 4.24Å; I125-Q157 HydrophobicContact CG2-CG 3.79Å; I125-L159 HydrophobicContact CB-CD1 4.33Å; I125-L159 HydrophobicContact CG1-CD1 4.26Å; I125-L159 HydrophobicContact CG2-CD1 4.07Å; I125-A303 HydrophobicContact CG1-CB 4.42Å
126K98.9Very high98.8Very high137 Ų13737.8 Ų37.860%0.59619%0.187SC*.Hα-helixtrans-57.4-50.9-179.5-177-175.7175.3-172.90111.3E122 T123 A124 A128 N129 E130E122-K126 WeakPolarHBondContact O-CB 3.39Å; E122-K126 PolarHBondContact O-N 3.41Å; T123-K126 PolarHBondContact O-N 3.3Å; A124-K126 PolarHBondContact O-N 3.34Å; K126-A128 PolarHBondContact O-N 2.93Å; K126-N129 PolarHBondContact O-N 3.29Å; K126-E130 PolarHBondContact O-N 3.19Å
127K98.8Very high98.8Very high18 Ų1838 Ų388%0.07819%0.189CC..Hα-helixtrans-66.6-36.7-179.6-71.8179.3178.5-67.50112.5E99 T100 T123 A124 I125 E130 T131 A134E99-K127 IonicContact OE2-NZ 2.69Å; E99-K127 PolarHBondContact OE2-NZ 3.31Å; T100-K127 PolarHBondContact O-NZ 2.7Å; T123-K127 HydrophobicContact CG2-CD 4.23Å; T123-K127 WeakPolarHBondContact O-CG 3.31Å; T123-K127 PolarHBondContact O-N 3.41Å; T123-K127 VanDerWaalsContact O-N 3.08Å; A124-K127 PolarHBondContact O-N 3.49Å; I125-K127 PolarHBondContact O-N 3.42Å; K127-E130 PolarHBondContact O-N 3.02Å; K127-T131 PolarHBondContact O-N 3.02Å; K127-T131 PolarHBondContact O-OG1 3.31Å; K127-A134 HydrophobicContact CB-CB 3.42Å; K127-A134 VanDerWaalsContact CB-CB 3.42Å
128A98.8Very high98.8Very high0 Ų038 Ų380%019%0.189CC..Hα-helixtrans-67.7-36.317800000112.1A124 I125 K126 E130 T131 G132 A134 L159 A303A124-A128 VanDerWaalsContact O-CB 3.25Å; A124-A128 WeakPolarHBondContact O-CB 3.28Å; A124-A128 PolarHBondContact O-N 3.19Å; I125-A128 PolarHBondContact O-N 2.61Å; K126-A128 PolarHBondContact O-N 2.93Å; A128-E130 PolarHBondContact O-N 3.32Å; A128-T131 PolarHBondContact O-N 2.79Å; A128-G132 VanDerWaalsContact O-CA 3.24Å; A128-G132 WeakPolarHBondContact O-CA 3.5Å; A128-G132 PolarHBondContact O-N 3.31Å; A128-A134 HydrophobicContact CB-CB 4.12Å; A128-L159 HydrophobicContact CB-CD1 4.3Å; A128-A303 HydrophobicContact CB-CB 3.57Å; A128-A303 WeakPolarHBondContact CB-O 3.26Å
129N98.5Very high98.8Very high87 Ų8738.9 Ų38.947%0.46519%0.191SC..Hα-helixtrans-61.5-26.7172.7-75.9-34000113I125 K126I125-N129 PolarHBondContact O-N 3.47Å; I125-N129 PolarHBondContact O-ND2 3.07Å; K126-N129 PolarHBondContact O-N 3.29Å
130E98.1Very high98.8Very high137 Ų13736.3 Ų36.364%0.6418%0.183SC*.Hα-helixtrans-91.1-27.5179.5-66.3173.2-16500113K126 K127 A128K126-E130 PolarHBondContact O-N 3.19Å; K127-E130 PolarHBondContact O-N 3.02Å; A128-E130 PolarHBondContact O-N 3.32Å
131T98.4Very high98.7Very high54 Ų5436.3 Ų36.333%0.33118%0.183SC..Hα-helixtrans-128.2-3.8-167.363.10000115V101 S102 K127 A128 I133V101-T131 HydrophobicContact CB-CG2 4.15Å; V101-T131 HydrophobicContact CG2-CG2 4.39Å; S102-T131 WeakPolarHBondContact OG-CB 3.35Å; S102-T131 WeakPolarHBondContact OG-CG2 3.39Å; S102-T131 PolarHBondContact OG-OG1 3.35Å; K127-T131 PolarHBondContact O-N 3.02Å; K127-T131 PolarHBondContact O-OG1 3.31Å; A128-T131 PolarHBondContact O-N 2.79Å; T131-I133 PolarHBondContact O-N 3.35Å; T131-I133 PolarHBondContact OG1-O 3.03Å
132G98.5Very high98.7Very high12 Ų1236.5 Ų36.512%0.12418%0.183CC..SBendtrans84.2-20.6-176.400000114.6A128 D305A128-G132 VanDerWaalsContact O-CA 3.24Å; A128-G132 WeakPolarHBondContact O-CA 3.5Å; A128-G132 PolarHBondContact O-N 3.31Å; G132-D305 PolarHBondContact O-N 3.5Å
133I98.8Very high98.6Very high75 Ų7532.3 Ų32.339%0.38516%0.164SC..EExtended strand (participates in β ladder)trans-156.2143178.1-174.4164.8000110.9S102 T131 L302 A303 I304S102-I133 WeakPolarHBondContact CB-O 3.16Å; S102-I133 PolarHBondContact OG-O 2.93Å; T131-I133 PolarHBondContact O-N 3.35Å; T131-I133 PolarHBondContact OG1-O 3.03Å; I133-L302 HydrophobicContact CD1-CD1 4.02Å; I133-L302 HydrophobicContact CG1-CD1 3.75Å; I133-A303 CarbonylContact C-O 3.34Å; I133-A303 WeakPolarHBondContact CA-O 3.16Å; I133-I304 HydrophobicContact CD1-CD1 4.47Å; I133-I304 HydrophobicContact CD1-CG1 4.12Å; I133-I304 HydrophobicContact CG1-CG1 4.14Å
134A98.9Very high98.6Very high1 Ų131.6 Ų31.61%0.00816%0.159CC..EExtended strand (participates in β ladder)trans-146.4139.1170.500000114S102 A124 K127 A128 L302 A303S102-A134 CarbonylContact O-C 3.57Å; S102-A134 WeakPolarHBondContact O-CA 3.36Å; A124-A134 VanDerWaalsContact O-CB 3.31Å; A124-A134 WeakPolarHBondContact O-CB 3.35Å; K127-A134 HydrophobicContact CB-CB 3.42Å; K127-A134 VanDerWaalsContact CB-CB 3.42Å; A128-A134 HydrophobicContact CB-CB 4.12Å; A134-L302 WeakPolarHBondContact O-CA 3.35Å; A134-L302 WeakPolarHBondContact O-CD1 3.29Å; A134-A303 PolarHBondContact N-O 2.99Å; A134-A303 PolarHBondContact O-N 3.5Å
135F98.9Very high98.4Very high46 Ų4631.7 Ų31.720%0.20216%0.16CC..EExtended strand (participates in β ladder)trans-116.1120.8177-177.3-86.1000110.7S102 T103 A104 A137 L272 I276 S300 F301 L302S102-F135 PolarHBondContact O-N 2.65Å; T103-F135 WeakPolarHBondContact CA-O 3.48Å; T103-F135 WeakPolarHBondContact CB-O 3.27Å; T103-F135 HydrophobicContact CG2-CB 4.5Å; A104-F135 PolarHBondContact N-O 3.17Å; F135-A137 HydrophobicContact CE1-CB 3.99Å; F135-L272 HydrophobicContact CZ-CD2 4.48Å; F135-I276 HydrophobicContact CE1-CD1 4.11Å; F135-I276 HydrophobicContact CZ-CD1 4.5Å; F135-S300 WeakPolarHBondContact CZ-OG 3.43Å; F135-F301 WeakPolarHBondContact CA-O 3.3Å; F135-L302 HydrophobicContact CB-CD1 4.15Å; F135-L302 HydrophobicContact CD2-CD1 4.38Å
136V99Very high98.3Very high0 Ų031 Ų310%016%0.157CC..EExtended strand (participates in β ladder)trans-118.5122.4178.2-179.90000109.2A104 V106 T123 A124 S300 F301A104-V136 HydrophobicContact CB-CG1 4.17Å; A104-V136 HydrophobicContact CB-CG2 4.08Å; A104-V136 WeakPolarHBondContact O-CA 3.45Å; V106-V136 HydrophobicContact CG2-CG1 3.7Å; T123-V136 HydrophobicContact CG2-CG2 3.95Å; A124-V136 HydrophobicContact CB-CB 4.36Å; A124-V136 HydrophobicContact CB-CG2 3.76Å; V136-S300 CarbonylContact O-C 3.55Å; V136-S300 VanDerWaalsContact O-CA 3.29Å; V136-S300 WeakPolarHBondContact O-CA 3.37Å; V136-F301 PolarHBondContact N-O 2.68Å; V136-F301 PolarHBondContact O-N 2.85Å
137A98.9Very high98.3Very high5 Ų524.6 Ų24.64%0.04113%0.129CC..EExtended strand (participates in β ladder)trans-102146.7170.100000109.7A104 L105 V106 F135 I276 A277 Q299A104-A137 PolarHBondContact O-N 2.92Å; L105-A137 CarbonylContact C-O 3.13Å; L105-A137 WeakPolarHBondContact CA-O 3.38Å; L105-A137 HydrophobicContact CD1-CB 4.12Å; V106-A137 PolarHBondContact N-O 2.94Å; F135-A137 HydrophobicContact CE1-CB 3.99Å; A137-I276 HydrophobicContact CB-CG2 4.09Å; A137-A277 HydrophobicContact CB-CB 4.08Å; A137-Q299 CarbonylContact C-O 3.59Å; A137-Q299 WeakPolarHBondContact CA-O 3.48Å
138A98.9Very high98.3Very high0 Ų023.9 Ų23.90%013%0.127CC..EExtended strand (participates in β ladder)trans-134142.2177.400000111V106 V116 A277 G298 Q299V106-A138 HydrophobicContact CB-CB 3.94Å; V106-A138 HydrophobicContact CG1-CB 4.42Å; V106-A138 CarbonylContact O-C 3.58Å; V106-A138 VanDerWaalsContact O-CA 3.23Å; V106-A138 WeakPolarHBondContact O-CA 3.45Å; V116-A138 HydrophobicContact CG1-CB 3.75Å; A138-A277 WeakPolarHBondContact O-CB 3.36Å; A138-G298 CarbonylContact O-C 3.56Å; A138-G298 VanDerWaalsContact O-CA 3.29Å; A138-G298 WeakPolarHBondContact O-CA 3.46Å; A138-Q299 HydrophobicContact CB-CB 4.38Å; A138-Q299 PolarHBondContact N-O 3.12Å; A138-Q299 PolarHBondContact O-N 2.91Å
139F98.8Very high98.2Very high39 Ų3926.4 Ų26.417%0.17114%0.136CC..EExtended strand (participates in β ladder)trans-125.7177.8171.669.3-78.8000110V97 L105 V106 D107 G108 S141 A277 A279V97-F139 HydrophobicContact CG2-CE1 3.96Å; V97-F139 HydrophobicContact CG2-CZ 4.45Å; L105-F139 HydrophobicContact CD1-CD1 3.93Å; L105-F139 HydrophobicContact CD1-CE1 4.31Å; L105-F139 HydrophobicContact CD2-CE1 4.32Å; L105-F139 HydrophobicContact CG-CD1 4.21Å; L105-F139 HydrophobicContact CG-CE1 4.08Å; V106-F139 WeakPolarHBondContact O-CD1 3.44Å; V106-F139 PolarHBondContact O-N 3.25Å; D107-F139 HydrophobicContact CB-CE1 3.77Å; D107-F139 HydrophobicContact CB-CE2 4.07Å; D107-F139 HydrophobicContact CB-CZ 3.43Å; D107-F139 VanDerWaalsContact CB-CZ 3.43Å; G108-F139 WeakPolarHBondContact CA-O 3.43Å; G108-F139 PolarHBondContact N-O 3.39Å; F139-S141 PolarHBondContact O-N 3.09Å; F139-A277 HydrophobicContact CB-CB 3.95Å; F139-A277 WeakPolarHBondContact CB-O 3.27Å; F139-A277 WeakPolarHBondContact CD1-O 3.44Å; F139-A277 VanDerWaalsContact CG-O 3.28Å; F139-A277 WeakPolarHBondContact CG-O 3.46Å; F139-A279 HydrophobicContact CB-CB 3.79Å
140G98.4Very high98.3Very high9 Ų922.3 Ų22.39%0.09311%0.114CC..EExtended strand (participates in β ladder)trans62.232.6-177.700000111.8G108 N110 N296G108-G140 CarbonylContact C-O 3.57Å; N110-G140 WeakPolarHBondContact CA-O 3.41Å; N110-G140 PolarHBondContact N-O 3.48Å; G140-N296 VanDerWaalsContact CA-OD1 3.27Å; G140-N296 WeakPolarHBondContact CA-OD1 3.33Å; G140-N296 PolarHBondContact N-OD1 3.49Å
141S98.6Very high98.3Very high0 Ų015.8 Ų15.80%08%0.084CC..EExtended strand (participates in β ladder)trans-106.2172.7-179.5-162.30000112.3V116 F139 L297 Q299V116-S141 WeakPolarHBondContact CB-OG 3.31Å; F139-S141 PolarHBondContact O-N 3.09Å; S141-L297 WeakPolarHBondContact CB-O 3.42Å; S141-L297 PolarHBondContact N-O 3.44Å; S141-L297 PolarHBondContact O-N 3.25Å; S141-Q299 PolarHBondContact OG-NE2 3.26Å; S141-Q299 PolarHBondContact OG-OE1 3.13Å
142N98.4Very high98.3Very high3 Ų314.4 Ų14.42%0.0168%0.075CC..  trans-123.2-179.9176-75.4-69.2000110.6N110 V111 G113 F144 A295 Q299N110-N142 PolarHBondContact O-ND2 2.94Å; N110-N142 PolarHBondContact OD1-ND2 3.31Å; V111-N142 PolarHBondContact O-ND2 3.29Å; G113-N142 WeakPolarHBondContact CA-O 3.37Å; N142-F144 PolarHBondContact O-N 2.82Å; N142-A295 WeakPolarHBondContact OD1-CB 3.44Å; N142-Q299 PolarHBondContact O-NE2 2.81Å
143H97.1Very high98.3Very high21 Ų2114.9 Ų14.910%0.0977%0.074CC..  trans-54.7134.1176.6-176.6-87000110.7H71 M78 Y79 G145 W288H71-H143 AromaticContact CD2-CE1 3.85Å; H71-H143 AromaticContact CD2-NE2 3.77Å; M78-H143 HydrophobicContact CE-CB 4.01Å; Y79-H143 HydrophobicContact CE1-CB 4.32Å; Y79-H143 WeakPolarHBondContact CE1-O 3.49Å; Y79-H143 AromaticContact CZ-ND1 3.69Å; Y79-H143 PolarHBondContact OH-CE1 3.38Å; Y79-H143 PolarHBondContact OH-ND1 3.01Å; H143-G145 PolarHBondContact CE1-N 3.25Å; H143-G145 PolarHBondContact ND1-N 2.91Å; H143-W288 AromaticContact CD2-CH2 3.8Å; H143-W288 AromaticContact CD2-CZ3 3.82Å
144F97.8Very high98.3Very high2 Ų211.3 Ų11.31%0.0096%0.055CC..  trans-116.917.8-165.976.4-5.1000114.5N142 A147 Y150 T165 Q299 F301N142-F144 PolarHBondContact O-N 2.82Å; F144-A147 HydrophobicContact CE1-CB 3.64Å; F144-A147 HydrophobicContact CZ-CB 3.5Å; F144-A147 VanDerWaalsContact CZ-CB 3.5Å; F144-Y150 HydrophobicContact CB-CE2 4.11Å; F144-Y150 VanDerWaalsContact CB-OH 3.3Å; F144-Y150 WeakPolarHBondContact CB-OH 3.33Å; F144-Y150 HydrophobicContact CD1-CE2 4.06Å; F144-Y150 HydrophobicContact CD2-CD2 4.05Å; F144-Y150 AromaticContact CD2-CE2 3.35Å; F144-Y150 HydrophobicContact CD2-CE2 3.35Å; F144-Y150 AromaticContact CD2-CZ 3.88Å; F144-Y150 HydrophobicContact CE1-CE2 4.27Å; F144-Y150 AromaticContact CE2-CD2 3.9Å; F144-Y150 HydrophobicContact CE2-CD2 3.9Å; F144-Y150 AromaticContact CE2-CE2 3.63Å; F144-Y150 HydrophobicContact CE2-CE2 3.63Å; F144-Y150 AromaticContact CG-CE2 3.58Å; F144-Y150 HydrophobicContact CG-CE2 3.58Å; F144-Y150 AromaticContact CG-CZ 3.99Å; F144-Y150 HydrophobicContact CZ-CD2 4.32Å; F144-Y150 HydrophobicContact CZ-CE2 4.07Å; F144-Y150 PolarHBondContact O-OH 3.17Å; F144-T165 HydrophobicContact CD1-CG2 3.93Å; F144-T165 HydrophobicContact CE1-CG2 3.23Å; F144-T165 HydrophobicContact CE2-CG2 3.97Å; F144-T165 HydrophobicContact CZ-CG2 3.24Å; F144-Q299 VanDerWaalsContact CD2-CD 3.45Å; F144-Q299 HydrophobicContact CD2-CG 3.74Å; F144-Q299 HydrophobicContact CE2-CG 3.9Å; F144-F301 HydrophobicContact CD2-CZ 4.38Å; F144-F301 HydrophobicContact CE2-CE1 4.4Å; F144-F301 HydrophobicContact CE2-CZ 4.32Å
145G96.1Very high98.3Very high2 Ų212 Ų122%0.0216%0.059CC..SBendtrans72.4-143.7179.800000113.5Y79 H143Y79-G145 PolarHBondContact OH-N 3.19Å; H143-G145 PolarHBondContact CE1-N 3.25Å; H143-G145 PolarHBondContact ND1-N 2.91Å
146I96.6Very high98.3Very high4 Ų416.8 Ų16.82%0.0218%0.082CC..  trans-69.3128.2174.351.8155.5000110.4V59 A62 H68 H71 G148 W149V59-I146 HydrophobicContact CG1-CG1 4.13Å; A62-I146 HydrophobicContact CB-CD1 3.96Å; H68-I146 HydrophobicContact CB-CG2 3.71Å; H71-I146 HydrophobicContact CB-CG2 3.62Å; I146-G148 VanDerWaalsContact C-N 3.28Å; I146-G148 PolarHBondContact O-N 3.45Å; I146-W149 HydrophobicContact CD1-CB 4.05Å; I146-W149 HydrophobicContact CG1-CB 3.97Å; I146-W149 WeakPolarHBondContact O-CB 3.33Å; I146-W149 PolarHBondContact O-N 3.03Å
147A97.9Very high98.3Very high2 Ų222.2 Ų22.22%0.01711%0.107CC..THydrogen-bonded Turntrans-70.7-29.7-17900000111.6F144 W149 Y150 P185 T187 D202F144-A147 HydrophobicContact CE1-CB 3.64Å; F144-A147 HydrophobicContact CZ-CB 3.5Å; F144-A147 VanDerWaalsContact CZ-CB 3.5Å; A147-W149 PolarHBondContact O-N 3.39Å; A147-Y150 VanDerWaalsContact O-CD2 3.3Å; A147-Y150 WeakPolarHBondContact O-CD2 3.1Å; A147-Y150 PolarHBondContact O-N 2.98Å; A147-P185 HydrophobicContact CB-CB 4.18Å; A147-P185 HydrophobicContact CB-CG 3.97Å; A147-T187 HydrophobicContact CB-CG2 3.28Å; A147-D202 PolarHBondContact N-OD2 3.04Å
148G98.1Very high98.2Very high2 Ų223.2 Ų23.22%0.02112%0.118CC..Hα-helixtrans-63.7-22.6-178.900000113.1I146 Y150 S151 L152 D202I146-G148 VanDerWaalsContact C-N 3.28Å; I146-G148 PolarHBondContact O-N 3.45Å; G148-Y150 VanDerWaalsContact C-N 3.28Å; G148-Y150 PolarHBondContact O-N 3.05Å; G148-S151 PolarHBondContact O-N 2.88Å; G148-L152 WeakPolarHBondContact O-CB 3.32Å; G148-L152 WeakPolarHBondContact O-CG 3.46Å; G148-L152 PolarHBondContact O-N 3.28Å; G148-D202 WeakPolarHBondContact CA-OD2 3.19Å; G148-D202 PolarHBondContact N-OD2 2.88Å
149W98.6Very high98.2Very high54 Ų5423.3 Ų23.321%0.20512%0.118CC..Hα-helixtrans-51.8-46.8173.8170.6-101000112D58 V59 A62 N118 I146 A147 L152 M153D58-W149 HydrophobicContact CB-CH2 4.12Å; D58-W149 HydrophobicContact CB-CZ2 4.18Å; V59-W149 HydrophobicContact CG2-CB 4.43Å; V59-W149 VanDerWaalsContact CG2-CD1 3.43Å; V59-W149 HydrophobicContact CG2-CD2 3.98Å; V59-W149 HydrophobicContact CG2-CG 3.7Å; A62-W149 HydrophobicContact CB-CE3 3.51Å; A62-W149 HydrophobicContact CB-CZ3 3.8Å; N118-W149 PolarHBondContact OD1-NE1 3.17Å; I146-W149 HydrophobicContact CD1-CB 4.05Å; I146-W149 HydrophobicContact CG1-CB 3.97Å; I146-W149 WeakPolarHBondContact O-CB 3.33Å; I146-W149 PolarHBondContact O-N 3.03Å; A147-W149 PolarHBondContact O-N 3.39Å; W149-L152 WeakPolarHBondContact O-CB 3.41Å; W149-L152 PolarHBondContact O-N 3.43Å; W149-M153 WeakPolarHBondContact O-CG 3.34Å; W149-M153 PolarHBondContact O-N 3.06Å; W149-M153 VanDerWaalsContact O-N 3.12Å
150Y98.9Very high98.2Very high0 Ų022.5 Ų22.50%012%0.116CC..Hα-helixtrans-71-41.9-176.7-49.2-72.2000111.6P114 G117 M121 F144 A147 G148 L152 M153 A154 A163 F301P114-Y150 WeakPolarHBondContact CA-OH 3.29Å; G117-Y150 VanDerWaalsContact C-CD1 3.47Å; G117-Y150 VanDerWaalsContact C-CE1 3.44Å; G117-Y150 VanDerWaalsContact CA-CE1 3.45Å; M121-Y150 WeakPolarHBondContact CG-O 3.22Å; F144-Y150 HydrophobicContact CB-CE2 4.11Å; F144-Y150 VanDerWaalsContact CB-OH 3.3Å; F144-Y150 WeakPolarHBondContact CB-OH 3.33Å; F144-Y150 HydrophobicContact CD1-CE2 4.06Å; F144-Y150 HydrophobicContact CD2-CD2 4.05Å; F144-Y150 AromaticContact CD2-CE2 3.35Å; F144-Y150 HydrophobicContact CD2-CE2 3.35Å; F144-Y150 AromaticContact CD2-CZ 3.88Å; F144-Y150 HydrophobicContact CE1-CE2 4.27Å; F144-Y150 AromaticContact CE2-CD2 3.9Å; F144-Y150 HydrophobicContact CE2-CD2 3.9Å; F144-Y150 AromaticContact CE2-CE2 3.63Å; F144-Y150 HydrophobicContact CE2-CE2 3.63Å; F144-Y150 AromaticContact CG-CE2 3.58Å; F144-Y150 HydrophobicContact CG-CE2 3.58Å; F144-Y150 AromaticContact CG-CZ 3.99Å; F144-Y150 HydrophobicContact CZ-CD2 4.32Å; F144-Y150 HydrophobicContact CZ-CE2 4.07Å; F144-Y150 PolarHBondContact O-OH 3.17Å; A147-Y150 VanDerWaalsContact O-CD2 3.3Å; A147-Y150 WeakPolarHBondContact O-CD2 3.1Å; A147-Y150 PolarHBondContact O-N 2.98Å; G148-Y150 VanDerWaalsContact C-N 3.28Å; G148-Y150 PolarHBondContact O-N 3.05Å; Y150-L152 VanDerWaalsContact C-N 3.26Å; Y150-L152 PolarHBondContact O-N 3.42Å; Y150-M153 HydrophobicContact CD1-SD 4.11Å; Y150-M153 WeakPolarHBondContact O-CB 3.34Å; Y150-M153 PolarHBondContact O-N 3.26Å; Y150-A154 PolarHBondContact O-N 2.96Å; Y150-A163 HydrophobicContact CD2-CB 4.25Å; Y150-A163 HydrophobicContact CG-CB 4.45Å; Y150-F301 AromaticContact CD1-CE1 3.95Å; Y150-F301 HydrophobicContact CD1-CE1 3.95Å; Y150-F301 AromaticContact CD2-CE1 3.86Å; Y150-F301 HydrophobicContact CD2-CE1 3.86Å; Y150-F301 HydrophobicContact CG-CD1 4.18Å; Y150-F301 AromaticContact CG-CE1 3.54Å; Y150-F301 HydrophobicContact CG-CE1 3.54Å
151S98.8Very high98.3Very high1 Ų122.1 Ų22.11%0.00711%0.111CC..Hα-helixtrans-60.8-38.1173.8-650000111.8G148 M153 A154 L155 G161 L162 A163 T187 A189G148-S151 PolarHBondContact O-N 2.88Å; S151-M153 VanDerWaalsContact C-N 3.3Å; S151-M153 PolarHBondContact O-N 3.31Å; S151-A154 WeakPolarHBondContact O-CB 3.17Å; S151-A154 PolarHBondContact O-N 3.16Å; S151-L155 PolarHBondContact O-N 2.9Å; S151-L155 VanDerWaalsContact O-N 3.11Å; S151-G161 WeakPolarHBondContact CB-O 3.34Å; S151-G161 PolarHBondContact OG-O 2.85Å; S151-L162 VanDerWaalsContact OG-C 3.31Å; S151-L162 VanDerWaalsContact OG-CA 3.29Å; S151-L162 WeakPolarHBondContact OG-CA 3.48Å; S151-A163 PolarHBondContact OG-N 2.73Å; S151-A163 VanDerWaalsContact OG-N 3.14Å; S151-T187 PolarHBondContact OG-OG1 3.47Å; S151-A189 WeakPolarHBondContact O-CB 3.26Å
152L98.7Very high98.3Very high25 Ų2523.4 Ų23.413%0.13112%0.118CC..Hα-helixtrans-64.8-30174.8-71.5168.3000112.9G148 W149 Y150 A154 L155 Q156 A189 V200G148-L152 WeakPolarHBondContact O-CB 3.32Å; G148-L152 WeakPolarHBondContact O-CG 3.46Å; G148-L152 PolarHBondContact O-N 3.28Å; W149-L152 WeakPolarHBondContact O-CB 3.41Å; W149-L152 PolarHBondContact O-N 3.43Å; Y150-L152 VanDerWaalsContact C-N 3.26Å; Y150-L152 PolarHBondContact O-N 3.42Å; L152-A154 VanDerWaalsContact C-N 3.32Å; L152-A154 PolarHBondContact O-N 3.07Å; L152-L155 HydrophobicContact CD2-CD2 3.58Å; L152-L155 WeakPolarHBondContact O-CB 3.43Å; L152-L155 PolarHBondContact O-N 3.14Å; L152-Q156 WeakPolarHBondContact O-CG 3.09Å; L152-Q156 PolarHBondContact O-N 3.03Å; L152-A189 HydrophobicContact CD2-CB 4.5Å; L152-V200 HydrophobicContact CD2-CG1 3.97Å; L152-V200 HydrophobicContact CD2-CG2 3.84Å; L152-V200 HydrophobicContact CG-CG1 4.34Å
153M98.8Very high98.3Very high21 Ų2123.2 Ų23.210%0.10312%0.117CC..Hα-helixtrans-62.3-40.5173-62.7167.364.200111.3N118 M121 E122 I125 W149 Y150 S151 Q156N118-M153 HydrophobicContact CB-CE 4.2Å; M121-M153 HydrophobicContact CB-CE 4.26Å; M121-M153 HydrophobicContact CB-SD 4.21Å; M121-M153 HydrophobicContact CG-CB 4.05Å; M121-M153 HydrophobicContact CG-CE 4.46Å; M121-M153 HydrophobicContact CG-SD 4.23Å; E122-M153 HydrophobicContact CG-CE 3.7Å; I125-M153 HydrophobicContact CD1-CB 4.08Å; W149-M153 WeakPolarHBondContact O-CG 3.34Å; W149-M153 PolarHBondContact O-N 3.06Å; W149-M153 VanDerWaalsContact O-N 3.12Å; Y150-M153 HydrophobicContact CD1-SD 4.11Å; Y150-M153 WeakPolarHBondContact O-CB 3.34Å; Y150-M153 PolarHBondContact O-N 3.26Å; S151-M153 VanDerWaalsContact C-N 3.3Å; S151-M153 PolarHBondContact O-N 3.31Å; M153-Q156 PolarHBondContact O-N 3.48Å
154A98.9Very high98.4Very high0 Ų022.9 Ų22.90%012%0.115CC..Hα-helixtrans-66.5-42.717500000111.4M121 I125 Y150 S151 L152 Q156 Q157 G158 L159M121-A154 HydrophobicContact CE-CB 3.4Å; I125-A154 HydrophobicContact CD1-CB 4.45Å; I125-A154 HydrophobicContact CG1-CB 4.26Å; Y150-A154 PolarHBondContact O-N 2.96Å; S151-A154 WeakPolarHBondContact O-CB 3.17Å; S151-A154 PolarHBondContact O-N 3.16Å; L152-A154 VanDerWaalsContact C-N 3.32Å; L152-A154 PolarHBondContact O-N 3.07Å; A154-Q156 VanDerWaalsContact C-N 3.27Å; A154-Q156 PolarHBondContact O-N 3.43Å; A154-Q157 CarbonylContact O-C 3.43Å; A154-Q157 WeakPolarHBondContact O-CA 3.43Å; A154-Q157 WeakPolarHBondContact O-CB 3.4Å; A154-Q157 PolarHBondContact O-N 3.16Å; A154-G158 PolarHBondContact O-N 2.77Å; A154-L159 CarbonylContact C-O 3.39Å; A154-L159 HydrophobicContact CB-CB 4.14Å; A154-L159 WeakPolarHBondContact O-CB 3.28Å; A154-L159 PolarHBondContact O-N 3.48Å
155L98.8Very high98.4Very high15 Ų1523.1 Ų23.18%0.07912%0.117CC..Hα-helixtrans-56.1-41.9177.4-178.468.1000112.1S151 L152 Q157 G158 L159 A189 A190 P191 H198 V200S151-L155 PolarHBondContact O-N 2.9Å; S151-L155 VanDerWaalsContact O-N 3.11Å; L152-L155 HydrophobicContact CD2-CD2 3.58Å; L152-L155 WeakPolarHBondContact O-CB 3.43Å; L152-L155 PolarHBondContact O-N 3.14Å; L155-Q157 PolarHBondContact O-N 2.79Å; L155-Q157 VanDerWaalsContact O-N 3.14Å; L155-G158 PolarHBondContact O-N 3.3Å; L155-L159 WeakPolarHBondContact CA-O 3.3Å; L155-L159 PolarHBondContact N-O 3.24Å; L155-A189 HydrophobicContact CB-CB 4Å; L155-A189 HydrophobicContact CD2-CB 4.19Å; L155-A190 WeakPolarHBondContact CD1-O 3.42Å; L155-P191 VanDerWaalsContact CD1-CA 3.44Å; L155-P191 HydrophobicContact CD1-CB 3.88Å; L155-P191 HydrophobicContact CD1-CG 4.5Å; L155-H198 HydrophobicContact CD1-CB 4.39Å; L155-H198 HydrophobicContact CD2-CB 4.07Å; L155-V200 HydrophobicContact CD2-CG2 4.17Å
156Q98.2Very high98.5Very high148 Ų14823 Ų2369%0.69212%0.116SC*.THydrogen-bonded Turntrans-60.8-20.3176.3-74.4173.5-9.800113.3L152 M153 A154L152-Q156 WeakPolarHBondContact O-CG 3.09Å; L152-Q156 PolarHBondContact O-N 3.03Å; M153-Q156 PolarHBondContact O-N 3.48Å; A154-Q156 VanDerWaalsContact C-N 3.27Å; A154-Q156 PolarHBondContact O-N 3.43Å
157Q98.3Very high98.6Very high114 Ų11423.2 Ų23.253%0.53312%0.118SC..THydrogen-bonded Turntrans-96.97.3175.8-56.8-62.8-43.800112.6I125 A154 L155 L159I125-Q157 HydrophobicContact CD1-CG 4.25Å; I125-Q157 HydrophobicContact CG2-CB 4.24Å; I125-Q157 HydrophobicContact CG2-CG 3.79Å; A154-Q157 CarbonylContact O-C 3.43Å; A154-Q157 WeakPolarHBondContact O-CA 3.43Å; A154-Q157 WeakPolarHBondContact O-CB 3.4Å; A154-Q157 PolarHBondContact O-N 3.16Å; L155-Q157 PolarHBondContact O-N 2.79Å; L155-Q157 VanDerWaalsContact O-N 3.14Å; Q157-L159 VanDerWaalsContact C-N 3.25Å; Q157-L159 HydrophobicContact CB-CD1 4.26Å; Q157-L159 HydrophobicContact CB-CG 4.15Å; Q157-L159 PolarHBondContact O-N 2.97Å
158G98.3Very high98.5Very high25 Ų2523.5 Ų23.526%0.25812%0.119SC..THydrogen-bonded Turntrans7218.1-174.700000113.7A154 L155 P306A154-G158 PolarHBondContact O-N 2.77Å; L155-G158 PolarHBondContact O-N 3.3Å; G158-P306 WeakPolarHBondContact O-CD 3.26Å
159L98.9Very high98.4Very high3 Ų324.4 Ų24.42%0.01613%0.125CC..SBendtrans-100.7157.8177.7-54.2177.6000110.5I125 A128 A154 L155 Q157 A303 D305I125-L159 HydrophobicContact CB-CD1 4.33Å; I125-L159 HydrophobicContact CG1-CD1 4.26Å; I125-L159 HydrophobicContact CG2-CD1 4.07Å; A128-L159 HydrophobicContact CB-CD1 4.3Å; A154-L159 CarbonylContact C-O 3.39Å; A154-L159 HydrophobicContact CB-CB 4.14Å; A154-L159 WeakPolarHBondContact O-CB 3.28Å; A154-L159 PolarHBondContact O-N 3.48Å; L155-L159 WeakPolarHBondContact CA-O 3.3Å; L155-L159 PolarHBondContact N-O 3.24Å; Q157-L159 VanDerWaalsContact C-N 3.25Å; Q157-L159 HydrophobicContact CB-CD1 4.26Å; Q157-L159 HydrophobicContact CB-CG 4.15Å; Q157-L159 PolarHBondContact O-N 2.97Å; L159-A303 HydrophobicContact CD1-CB 4.17Å; L159-D305 HydrophobicContact CD2-CB 3.73Å
160I98.9Very high98.3Very high22 Ų2223 Ų2311%0.11312%0.121CC..EExtended strand (participates in β ladder)trans-79.6126.5163.8-55.1166.7000107.4L162 L188 A189 A190 A303 I304 P306 F313I160-L162 HydrophobicContact CG2-CD1 4.02Å; I160-L188 HydrophobicContact CG2-CD1 4.49Å; I160-L188 HydrophobicContact CG2-CG 4.31Å; I160-A189 CarbonylContact C-O 3.55Å; I160-A189 VanDerWaalsContact CA-O 3.31Å; I160-A189 WeakPolarHBondContact CA-O 3.45Å; I160-A190 HydrophobicContact CG1-CB 4.15Å; I160-A190 HydrophobicContact CG2-CB 4.31Å; I160-A303 CarbonylContact O-C 3.04Å; I160-A303 WeakPolarHBondContact O-CA 3.49Å; I160-I304 HydrophobicContact CB-CB 4.17Å; I160-I304 PolarHBondContact N-O 3Å; I160-I304 PolarHBondContact O-N 3.27Å; I160-P306 HydrophobicContact CD1-CB 4.49Å; I160-F313 HydrophobicContact CD1-CE1 4.24Å; I160-F313 HydrophobicContact CD1-CE2 3.73Å; I160-F313 HydrophobicContact CD1-CZ 3.53Å; I160-F313 HydrophobicContact CG1-CE1 4.23Å; I160-F313 HydrophobicContact CG1-CZ 3.92Å
161G98.9Very high98.3Very high0 Ų023.2 Ų23.20%012%0.122CC..EExtended strand (participates in β ladder)trans-111.3136.3178.300000111.7S151 L188 A189 L302S151-G161 WeakPolarHBondContact CB-O 3.34Å; S151-G161 PolarHBondContact OG-O 2.85Å; G161-L188 CarbonylContact O-C 3.59Å; G161-L188 VanDerWaalsContact O-CA 3.3Å; G161-L188 WeakPolarHBondContact O-CA 3.24Å; G161-A189 PolarHBondContact N-O 2.8Å; G161-A189 PolarHBondContact O-N 3.13Å; G161-L302 CarbonylContact C-O 3.55Å; G161-L302 WeakPolarHBondContact CA-O 3.08Å
162L98.9Very high98.3Very high27 Ų2723.5 Ų23.514%0.14112%0.124CC..EExtended strand (participates in β ladder)trans-128.2144.7164.7-59.781.2000109.7S151 I160 F164 T187 L188 F301 L302 I304S151-L162 VanDerWaalsContact OG-C 3.31Å; S151-L162 VanDerWaalsContact OG-CA 3.29Å; S151-L162 WeakPolarHBondContact OG-CA 3.48Å; I160-L162 HydrophobicContact CG2-CD1 4.02Å; L162-F164 HydrophobicContact CB-CE2 3.76Å; L162-F164 HydrophobicContact CB-CZ 3.99Å; L162-F164 HydrophobicContact CD2-CE2 4.36Å; L162-F164 HydrophobicContact CD2-CZ 3.84Å; L162-T187 WeakPolarHBondContact CA-O 3.47Å; L162-T187 WeakPolarHBondContact CB-O 3.42Å; L162-L188 HydrophobicContact CD1-CD1 4.38Å; L162-L188 HydrophobicContact CD2-CD1 4.24Å; L162-L188 HydrophobicContact CG-CB 4.31Å; L162-L188 HydrophobicContact CG-CD1 4.21Å; L162-L188 HydrophobicContact CG-CG 4.26Å; L162-F301 WeakPolarHBondContact O-CA 3.46Å; L162-L302 HydrophobicContact CB-CB 4.16Å; L162-L302 HydrophobicContact CD1-CB 4.35Å; L162-L302 HydrophobicContact CD1-CD2 4.12Å; L162-L302 HydrophobicContact CD1-CG 4.35Å; L162-L302 PolarHBondContact N-O 3.17Å; L162-L302 PolarHBondContact O-N 3.49Å; L162-I304 HydrophobicContact CD1-CD1 4.22Å
163A98.9Very high98.2Very high0 Ų023 Ų230%012%0.121CC..EExtended strand (participates in β ladder)trans-140.4144.7175.100000111.2Y150 S151 T187 S300 F301Y150-A163 HydrophobicContact CD2-CB 4.25Å; Y150-A163 HydrophobicContact CG-CB 4.45Å; S151-A163 PolarHBondContact OG-N 2.73Å; S151-A163 VanDerWaalsContact OG-N 3.14Å; A163-T187 WeakPolarHBondContact CB-OG1 3.34Å; A163-T187 PolarHBondContact N-OG1 2.86Å; A163-T187 PolarHBondContact O-N 2.82Å; A163-T187 VanDerWaalsContact O-N 3.16Å; A163-T187 PolarHBondContact O-OG1 3.5Å; A163-S300 CarbonylContact C-O 3.53Å; A163-S300 WeakPolarHBondContact CA-O 3.43Å; A163-F301 HydrophobicContact CB-CD1 3.86Å; A163-F301 HydrophobicContact CB-CE1 4.07Å
164F98.8Very high98Very high13 Ų1323.4 Ų23.46%0.05713%0.125CC..EExtended strand (participates in β ladder)trans-139.7146.2-174-50.5-91.6000109.6L162 I186 V269 C273 Q299 S300L162-F164 HydrophobicContact CB-CE2 3.76Å; L162-F164 HydrophobicContact CB-CZ 3.99Å; L162-F164 HydrophobicContact CD2-CE2 4.36Å; L162-F164 HydrophobicContact CD2-CZ 3.84Å; F164-I186 HydrophobicContact CD1-CB 4.36Å; F164-I186 HydrophobicContact CD1-CG1 4Å; F164-I186 HydrophobicContact CD1-CG2 4.22Å; F164-I186 HydrophobicContact CE1-CB 4.29Å; F164-I186 HydrophobicContact CE1-CG1 4.11Å; F164-I186 HydrophobicContact CE1-CG2 3.68Å; F164-V269 HydrophobicContact CB-CG1 4.3Å; F164-V269 HydrophobicContact CD1-CG2 4.1Å; F164-C273 VanDerWaalsContact C-SG 3.51Å; F164-C273 WeakPolarHBondContact CB-SG 3.33Å; F164-Q299 WeakPolarHBondContact O-CA 3.43Å; F164-S300 PolarHBondContact N-O 3.03Å; F164-S300 PolarHBondContact O-N 3.39Å
165T98.7Very high97.9Very high7 Ų733.3 Ų33.34%0.04316%0.163CC..EExtended strand (participates in β ladder)trans-145.6146.2166.2-169.50000109.9F144 N184 P185 V269 G298 Q299F144-T165 HydrophobicContact CD1-CG2 3.93Å; F144-T165 HydrophobicContact CE1-CG2 3.23Å; F144-T165 HydrophobicContact CE2-CG2 3.97Å; F144-T165 HydrophobicContact CZ-CG2 3.24Å; T165-N184 WeakPolarHBondContact O-CA 3.29Å; T165-P185 HydrophobicContact CG2-CG 3.73Å; T165-P185 WeakPolarHBondContact O-CD 3.38Å; T165-V269 WeakPolarHBondContact O-CG1 3.36Å; T165-G298 PolarHBondContact OG1-O 3.34Å; T165-Q299 VanDerWaalsContact OG1-CG 3.3Å; T165-Q299 WeakPolarHBondContact OG1-CG 3.39Å
166N98.4Very high97.7Very high0 Ų034.4 Ų34.40%017%0.174CC..  trans-85170158.571.1-1.1000110.6N184 E270 C273 G274 A280 I285 G298N166-N184 WeakPolarHBondContact CA-OD1 3.32Å; N166-E270 WeakPolarHBondContact CB-OE2 3.16Å; N166-E270 PolarHBondContact ND2-OE2 3.05Å; N166-C273 HydrophobicContact CB-CB 4.3Å; N166-G274 WeakPolarHBondContact ND2-CA 3.37Å; N166-A280 PolarHBondContact ND2-O 3.44Å; N166-I285 HydrophobicContact CB-CD1 4.35Å; N166-G298 PolarHBondContact N-O 2.92Å; N166-G298 VanDerWaalsContact N-O 3.15Å; N166-G298 PolarHBondContact OD1-N 2.61Å; N166-G298 PolarHBondContact OD1-O 3.09Å
167T97.2Very high97.6Very high9 Ų935.5 Ų35.56%0.05517%0.172CC..  trans-155.4176.5178.9-170.80000110.6N184 I285T167-N184 PolarHBondContact N-OD1 3.24Å; T167-I285 WeakPolarHBondContact O-CD1 3.25Å
168S96.8Very high97.4Very high7 Ų738.7 Ų38.75%0.04918%0.179CC..SBendtrans-45.7143175.3-61.20000112.3L170 G182 R286 W288S168-L170 WeakPolarHBondContact O-CG 3.33Å; S168-L170 PolarHBondContact O-N 2.77Å; S168-G182 WeakPolarHBondContact O-CA 3.46Å; S168-R286 VanDerWaalsContact CB-O 3.28Å; S168-R286 WeakPolarHBondContact CB-O 3.5Å; S168-R286 PolarHBondContact OG-O 2.83Å; S168-W288 PolarHBondContact OG-N 3.38Å
169P96.8Very high97.4Very high22 Ų2239.8 Ų39.814%0.14318%0.179CC..SBendtrans-64.3114-179.526.3-34.8000110.4L179P169-L179 HydrophobicContact CB-CB 4.23Å
170L96.5Very high97.3Very high25 Ų2540.8 Ų40.813%0.13119%0.187CC..  trans-130.2-10.6-176.3-71.3173.6000112.7S168 V181 T183 L210 L248 W288S168-L170 WeakPolarHBondContact O-CG 3.33Å; S168-L170 PolarHBondContact O-N 2.77Å; L170-V181 PolarHBondContact N-O 3Å; L170-T183 HydrophobicContact CB-CG2 4.43Å; L170-T183 HydrophobicContact CD1-CG2 4.35Å; L170-L210 HydrophobicContact CD1-CD2 4.34Å; L170-L210 HydrophobicContact CD2-CD2 4.37Å; L170-L248 HydrophobicContact CB-CD1 4.39Å; L170-L248 WeakPolarHBondContact O-CB 3.26Å; L170-L248 PolarHBondContact O-N 3.36Å; L170-W288 HydrophobicContact CD2-CB 4.06Å; L170-W288 HydrophobicContact CD2-CG 4.49Å
171V98.1Very high97.2Very high3 Ų340.2 Ų40.22%0.01818%0.184CC..BIsolated β-bridgetrans-117.2137.4-175.1-176.60000109.9P173 A180 V181 G182 T183 L248 P250V171-P173 WeakPolarHBondContact O-CD 3.18Å; V171-A180 PolarHBondContact O-N 3.24Å; V171-V181 HydrophobicContact CB-CB 4.42Å; V171-V181 WeakPolarHBondContact CB-O 3.36Å; V171-V181 PolarHBondContact N-O 3.29Å; V171-V181 PolarHBondContact O-N 3.12Å; V171-G182 WeakPolarHBondContact CG2-O 3.48Å; V171-T183 HydrophobicContact CG2-CG2 4.38Å; V171-L248 WeakPolarHBondContact CA-O 3.44Å; V171-L248 HydrophobicContact CG2-CB 4.06Å; V171-P250 HydrophobicContact CG1-CB 4.13Å
172F97.7Very high97.1Very high8 Ų840.2 Ų40.24%0.03518%0.184CC..PPolyproline II helixtrans-75.4121.3168.7-69.7-77.8000110L179 A229 D230 L248 P250F172-L179 HydrophobicContact CD1-CD2 3.8Å; F172-L179 HydrophobicContact CD2-CD2 3.56Å; F172-L179 HydrophobicContact CE1-CD2 3.7Å; F172-L179 HydrophobicContact CE1-CG 4.2Å; F172-L179 HydrophobicContact CE2-CD2 3.48Å; F172-L179 VanDerWaalsContact CE2-CD2 3.48Å; F172-L179 HydrophobicContact CG-CD2 3.72Å; F172-L179 HydrophobicContact CZ-CD2 3.54Å; F172-L179 HydrophobicContact CZ-CG 4.19Å; F172-A229 HydrophobicContact CD2-CB 3.82Å; F172-A229 HydrophobicContact CE2-CB 3.66Å; F172-D230 WeakPolarHBondContact CZ-O 3.13Å; F172-L248 PolarHBondContact N-O 3.32Å; F172-P250 WeakPolarHBondContact O-CD 3.01Å
173P97.2Very high97Very high13 Ų1339.9 Ų39.98%0.08418%0.184CC..PPolyproline II helixtrans-50.5143.6159.7-22.931000110.3V171 R175 A176 R178 A180 V181 Y263V171-P173 WeakPolarHBondContact O-CD 3.18Å; P173-R175 PolarHBondContact O-N 3.44Å; P173-A176 HydrophobicContact CB-CB 3.74Å; P173-A176 HydrophobicContact CG-CB 3.95Å; P173-A176 WeakPolarHBondContact O-CB 3.39Å; P173-A176 PolarHBondContact O-N 3.18Å; P173-R178 VanDerWaalsContact CD-O 3.31Å; P173-R178 WeakPolarHBondContact CD-O 3.32Å; P173-A180 HydrophobicContact CG-CB 3.71Å; P173-V181 HydrophobicContact CG-CG2 4.18Å; P173-Y263 HydrophobicContact CB-CD2 4.14Å; P173-Y263 HydrophobicContact CB-CE1 4.07Å; P173-Y263 HydrophobicContact CB-CE2 3.67Å; P173-Y263 HydrophobicContact CG-CE2 4.2Å
174T95.6Very high97Very high30 Ų3039.9 Ų39.918%0.18418%0.184CC..THydrogen-bonded Turntrans-54.5129.3175.2-53.20000109.6A176 E255 Y260T174-A176 VanDerWaalsContact C-N 3.27Å; T174-A176 PolarHBondContact O-N 2.9Å; T174-E255 HydrophobicContact CG2-CB 4.05Å; T174-E255 HydrophobicContact CG2-CG 4.09Å; T174-Y260 VanDerWaalsContact OG1-CA 3.28Å; T174-Y260 WeakPolarHBondContact OG1-CA 3.22Å; T174-Y260 PolarHBondContact OG1-N 2.8Å
175R95.3Very high96.9Very high209 Ų20940 Ų4079%0.78919%0.186SC*.THydrogen-bonded Turntrans71.23.2-176.4-49.3175.6178.7175.1-3.2116.3P173 E255P173-R175 PolarHBondContact O-N 3.44Å; R175-E255 WeakPolarHBondContact CG-OE2 3.29Å; R175-E255 IonicContact CZ-OE1 3.89Å; R175-E255 IonicContact CZ-OE2 3.58Å; R175-E255 IonicContact NE-OE1 3.62Å; R175-E255 PolarHBondContact NE-OE1 2.96Å; R175-E255 IonicContact NE-OE2 2.85Å; R175-E255 PolarHBondContact NE-OE2 3.02Å; R175-E255 IonicContact NH2-OE1 3.18Å; R175-E255 PolarHBondContact NH2-OE1 3.49Å; R175-E255 IonicContact NH2-OE2 3.36Å
176A96.4Very high96.9Very high37 Ų3741 Ų4131%0.30619%0.191SC..  trans-92.6150.7174.200000112.2P173 T174P173-A176 HydrophobicContact CB-CB 3.74Å; P173-A176 HydrophobicContact CG-CB 3.95Å; P173-A176 WeakPolarHBondContact O-CB 3.39Å; P173-A176 PolarHBondContact O-N 3.18Å; T174-A176 VanDerWaalsContact C-N 3.27Å; T174-A176 PolarHBondContact O-N 2.9Å
177R94.4Very high96.9Very high172 Ų17241 Ų4165%0.64919%0.191SC*.SBendtrans-99.99.317367.8174.6-179.8173.9-2.1113.9D232R177-D232 VanDerWaalsContact CB-O 3.29Å; R177-D232 WeakPolarHBondContact CB-O 3.39Å
178R95.6Very high97Very high180 Ų18043 Ų4368%0.67920%0.201SC*.SBendtrans-133.5139.9-178.4-66.6-68.1-174.4173.6-2.3109.2P173P173-R178 VanDerWaalsContact CD-O 3.31Å; P173-R178 WeakPolarHBondContact CD-O 3.32Å
179L96.5Very high97.1Very high49 Ų4942.7 Ų42.726%0.25720%0.198SC..  trans-65.1133.9170.9-53.8178000109.5P169 F172P169-L179 HydrophobicContact CB-CB 4.23Å; F172-L179 HydrophobicContact CD1-CD2 3.8Å; F172-L179 HydrophobicContact CD2-CD2 3.56Å; F172-L179 HydrophobicContact CE1-CD2 3.7Å; F172-L179 HydrophobicContact CE1-CG 4.2Å; F172-L179 HydrophobicContact CE2-CD2 3.48Å; F172-L179 VanDerWaalsContact CE2-CD2 3.48Å; F172-L179 HydrophobicContact CG-CD2 3.72Å; F172-L179 HydrophobicContact CZ-CD2 3.54Å; F172-L179 HydrophobicContact CZ-CG 4.19Å
180A97Very high97.2Very high24 Ų2441.8 Ų41.820%0.19819%0.193CC..  trans-150.3-3.9-178.400000114.3V171 P173 G282 P283V171-A180 PolarHBondContact O-N 3.24Å; P173-A180 HydrophobicContact CG-CB 3.71Å; A180-G282 CarbonylContact O-C 3.46Å; A180-G282 WeakPolarHBondContact O-CA 3.48Å; A180-P283 HydrophobicContact CB-CG 3.7Å
181V97Very high97.3Very high9 Ų941 Ų416%0.05519%0.189CC..BIsolated β-bridgetrans-130.1143.5179.2-171.30000108.2L170 V171 P173 Y263L170-V181 PolarHBondContact N-O 3Å; V171-V181 HydrophobicContact CB-CB 4.42Å; V171-V181 WeakPolarHBondContact CB-O 3.36Å; V171-V181 PolarHBondContact N-O 3.29Å; V171-V181 PolarHBondContact O-N 3.12Å; P173-V181 HydrophobicContact CG-CG2 4.18Å; V181-Y263 HydrophobicContact CG2-CD2 4.09Å; V181-Y263 HydrophobicContact CG2-CE2 3.8Å
182G97.2Very high97.3Very high0 Ų041.1 Ų41.10%019%0.191CC..  trans-75.7-179.7171.600000112.7S168 V171 N184S168-G182 WeakPolarHBondContact O-CA 3.46Å; V171-G182 WeakPolarHBondContact CG2-O 3.48Å; G182-N184 VanDerWaalsContact C-OD1 3.25Å; G182-N184 WeakPolarHBondContact CA-OD1 3.2Å; G182-N184 PolarHBondContact N-OD1 3.3Å; G182-N184 PolarHBondContact O-N 2.98Å
183T96.8Very high97.3Very high21 Ų2147.8 Ų47.813%0.12922%0.22CC..  trans-70.6-16.4169.753.60000112.7L170 V171 A204 T205 L248L170-T183 HydrophobicContact CB-CG2 4.43Å; L170-T183 HydrophobicContact CD1-CG2 4.35Å; V171-T183 HydrophobicContact CG2-CG2 4.38Å; T183-A204 CarbonylContact O-C 3.6Å; T183-A204 WeakPolarHBondContact O-CA 3.37Å; T183-A204 WeakPolarHBondContact O-CB 3.35Å; T183-T205 PolarHBondContact O-N 2.96Å; T183-T205 PolarHBondContact O-OG1 3.29Å; T183-L248 HydrophobicContact CG2-CD1 3.55Å
184N98Very high97.3Very high0 Ų050.1 Ų50.10%023%0.234CC..  trans39.866.9161.5-69.913.7000114.7T165 N166 T167 G182 T205 G266 V269 E270T165-N184 WeakPolarHBondContact O-CA 3.29Å; N166-N184 WeakPolarHBondContact CA-OD1 3.32Å; T167-N184 PolarHBondContact N-OD1 3.24Å; G182-N184 VanDerWaalsContact C-OD1 3.25Å; G182-N184 WeakPolarHBondContact CA-OD1 3.2Å; G182-N184 PolarHBondContact N-OD1 3.3Å; G182-N184 PolarHBondContact O-N 2.98Å; N184-T205 WeakPolarHBondContact O-CG2 3.3Å; N184-T205 PolarHBondContact O-OG1 3.28Å; N184-G266 PolarHBondContact ND2-O 3Å; N184-V269 HydrophobicContact CB-CB 3.81Å; N184-V269 HydrophobicContact CB-CG1 3.7Å; N184-V269 HydrophobicContact CB-CG2 4.36Å; N184-E270 WeakPolarHBondContact ND2-CG 3.41Å; N184-E270 PolarHBondContact ND2-OE1 3.15Å
185P98Very high97.3Very high16 Ų1652.7 Ų52.710%0.10425%0.252CS..  trans-66.8151.1-171.129.4-36.9000113.4A147 T165 M203A147-P185 HydrophobicContact CB-CB 4.18Å; A147-P185 HydrophobicContact CB-CG 3.97Å; T165-P185 HydrophobicContact CG2-CG 3.73Å; T165-P185 WeakPolarHBondContact O-CD 3.38Å; P185-M203 CarbonylContact C-O 3.59Å; P185-M203 WeakPolarHBondContact CA-O 3.27Å; P185-M203 WeakPolarHBondContact CB-O 3.4Å
186I98.6Very high97.4Very high27 Ų2748.1 Ų48.114%0.13824%0.239CC..EExtended strand (participates in β ladder)trans-122.4132.4173-60.5170.4000107.4F164 M203 T205 L265 V269F164-I186 HydrophobicContact CD1-CB 4.36Å; F164-I186 HydrophobicContact CD1-CG1 4Å; F164-I186 HydrophobicContact CD1-CG2 4.22Å; F164-I186 HydrophobicContact CE1-CB 4.29Å; F164-I186 HydrophobicContact CE1-CG1 4.11Å; F164-I186 HydrophobicContact CE1-CG2 3.68Å; I186-M203 PolarHBondContact N-O 2.88Å; I186-M203 PolarHBondContact O-N 2.96Å; I186-T205 HydrophobicContact CD1-CG2 3.77Å; I186-T205 HydrophobicContact CG1-CG2 4.08Å; I186-L265 HydrophobicContact CD1-CB 4.13Å; I186-L265 HydrophobicContact CD1-CD2 4.1Å; I186-V269 HydrophobicContact CD1-CG2 3.98Å; I186-V269 HydrophobicContact CG1-CG2 3.51Å
187T98.7Very high97.4Very high0 Ų047 Ų470%023%0.228CC..EExtended strand (participates in β ladder)trans-130.5151.8179.7700000111.8A147 S151 L162 A163 L201 D202A147-T187 HydrophobicContact CB-CG2 3.28Å; S151-T187 PolarHBondContact OG-OG1 3.47Å; L162-T187 WeakPolarHBondContact CA-O 3.47Å; L162-T187 WeakPolarHBondContact CB-O 3.42Å; A163-T187 WeakPolarHBondContact CB-OG1 3.34Å; A163-T187 PolarHBondContact N-OG1 2.86Å; A163-T187 PolarHBondContact O-N 2.82Å; A163-T187 VanDerWaalsContact O-N 3.16Å; A163-T187 PolarHBondContact O-OG1 3.5Å; T187-L201 CarbonylContact C-O 3.58Å; T187-L201 WeakPolarHBondContact CA-O 3.32Å; T187-L201 VanDerWaalsContact CB-O 3.27Å; T187-L201 WeakPolarHBondContact CB-O 3.39Å; T187-D202 HydrophobicContact CG2-CB 4.1Å; T187-D202 WeakPolarHBondContact CG2-OD1 3.43Å
188L98.8Very high97.6Very high51 Ų5140.8 Ų40.827%0.26721%0.206SC..EExtended strand (participates in β ladder)trans-146129.8171.6-175.6148.8000109.3I160 G161 L162 A190 F199 V200 L201I160-L188 HydrophobicContact CG2-CD1 4.49Å; I160-L188 HydrophobicContact CG2-CG 4.31Å; G161-L188 CarbonylContact O-C 3.59Å; G161-L188 VanDerWaalsContact O-CA 3.3Å; G161-L188 WeakPolarHBondContact O-CA 3.24Å; L162-L188 HydrophobicContact CD1-CD1 4.38Å; L162-L188 HydrophobicContact CD2-CD1 4.24Å; L162-L188 HydrophobicContact CG-CB 4.31Å; L162-L188 HydrophobicContact CG-CD1 4.21Å; L162-L188 HydrophobicContact CG-CG 4.26Å; L188-A190 HydrophobicContact CD2-CB 3.94Å; L188-F199 HydrophobicContact CD2-CD1 3.45Å; L188-F199 VanDerWaalsContact CD2-CD1 3.45Å; L188-F199 HydrophobicContact CD2-CE1 3.73Å; L188-V200 CarbonylContact O-C 3.59Å; L188-V200 WeakPolarHBondContact O-CA 3.14Å; L188-L201 PolarHBondContact N-O 3.48Å; L188-L201 PolarHBondContact O-N 3.05Å
189A98.9Very high97.8Very high0 Ų034 Ų340%018%0.182CC..EExtended strand (participates in β ladder)trans-122.8130.5169.500000109.4S151 L152 L155 I160 G161 F199 V200S151-A189 WeakPolarHBondContact O-CB 3.26Å; L152-A189 HydrophobicContact CD2-CB 4.5Å; L155-A189 HydrophobicContact CB-CB 4Å; L155-A189 HydrophobicContact CD2-CB 4.19Å; I160-A189 CarbonylContact C-O 3.55Å; I160-A189 VanDerWaalsContact CA-O 3.31Å; I160-A189 WeakPolarHBondContact CA-O 3.45Å; G161-A189 PolarHBondContact N-O 2.8Å; G161-A189 PolarHBondContact O-N 3.13Å; A189-F199 CarbonylContact C-O 3.54Å; A189-F199 VanDerWaalsContact CA-O 3.26Å; A189-F199 WeakPolarHBondContact CA-O 3.27Å; A189-V200 HydrophobicContact CB-CG2 4.49Å
190A98.9Very high97.9Very high4 Ų432 Ų323%0.03317%0.172CC..EExtended strand (participates in β ladder)trans-138138.2-178.600000112.2L155 I160 L188 G192 H198 F199 F313 L317L155-A190 WeakPolarHBondContact CD1-O 3.42Å; I160-A190 HydrophobicContact CG1-CB 4.15Å; I160-A190 HydrophobicContact CG2-CB 4.31Å; L188-A190 HydrophobicContact CD2-CB 3.94Å; A190-G192 PolarHBondContact O-N 3.28Å; A190-H198 WeakPolarHBondContact O-CA 3.4Å; A190-F199 PolarHBondContact N-O 3.47Å; A190-F199 PolarHBondContact O-N 3.33Å; A190-F199 VanDerWaalsContact O-N 3.07Å; A190-F313 HydrophobicContact CB-CE1 4.27Å; A190-F313 HydrophobicContact CB-CZ 4.12Å; A190-L317 HydrophobicContact CB-CD2 3.64Å; A190-L317 WeakPolarHBondContact O-CD2 3.45Å
191P98.7Very high98Very high7 Ų733.2 Ų33.25%0.04517%0.174CC..  trans-75.3121.8-174.428.7-34.6000111.8L155 P306 F313 E314 L317L155-P191 VanDerWaalsContact CD1-CA 3.44Å; L155-P191 HydrophobicContact CD1-CB 3.88Å; L155-P191 HydrophobicContact CD1-CG 4.5Å; P191-P306 HydrophobicContact CG-CG 4.48Å; P191-F313 HydrophobicContact CG-CD1 4.38Å; P191-F313 HydrophobicContact CG-CE1 4.14Å; P191-E314 HydrophobicContact CB-CG 4.24Å; P191-E314 HydrophobicContact CG-CG 4.32Å; P191-L317 WeakPolarHBondContact O-CD2 3.27Å
192G98.3Very high98Very high6 Ų634.7 Ų34.76%0.06218%0.182CC..  trans-86.4172.2164.100000111A190 V194 H198A190-G192 PolarHBondContact O-N 3.28Å; G192-V194 PolarHBondContact O-N 3.11Å; G192-H198 PolarHBondContact N-ND1 3.36Å; G192-H198 VanDerWaalsContact N-ND1 3.11Å; G192-H198 PolarHBondContact O-CE1 2.67Å; G192-H198 VanDerWaalsContact O-CE1 3.31Å
193K97.8Very high98Very high148 Ų14837.3 Ų37.364%0.64320%0.195SC*.SBendtrans-61.9-30.8178.9-172.7177.6178.7177.70112.9E314 S318K193-E314 PolarHBondContact N-O 3.47Å; K193-S318 WeakPolarHBondContact CB-OG 3.31Å; K193-S318 PolarHBondContact N-OG 3.36Å
194V97.2Very high97.9Very high62 Ų6237.6 Ų37.638%0.37620%0.199SC..SBendtrans-129.7157175.2-62.10000109.9G192 E196 D197 H198G192-V194 PolarHBondContact O-N 3.11Å; V194-E196 WeakPolarHBondContact CB-OE2 3.39Å; V194-E196 HydrophobicContact CG2-CB 4.46Å; V194-E196 WeakPolarHBondContact CG2-OE2 3.46Å; V194-E196 PolarHBondContact O-N 3.45Å; V194-D197 HydrophobicContact CG2-CB 4.01Å; V194-D197 PolarHBondContact O-N 3.32Å; V194-H198 PolarHBondContact O-CE1 3.33Å; V194-H198 PolarHBondContact O-ND1 3.23Å
195P96.2Very high97.9Very high85 Ų8537.7 Ų37.755%0.55220%0.2SC*.G310 helixtrans-54.1-35.3-177.5-28.937.4000114.8D197 H198P195-D197 PolarHBondContact O-N 3.5Å; P195-H198 WeakPolarHBondContact O-CB 3.46Å; P195-H198 PolarHBondContact O-N 2.96Å
196E95.7Very high97.9Very high112 Ų11237.1 Ų37.152%0.52320%0.196SC..G310 helixtrans-67.2-23.2179.6-5973.7-160.600112.3V194 R325 R344V194-E196 WeakPolarHBondContact CB-OE2 3.39Å; V194-E196 HydrophobicContact CG2-CB 4.46Å; V194-E196 WeakPolarHBondContact CG2-OE2 3.46Å; V194-E196 PolarHBondContact O-N 3.45Å; E196-R325 PolarHBondContact O-NH2 2.78Å; E196-R344 VanDerWaalsContact O-CZ 3.27Å; E196-R344 PolarHBondContact O-NH1 3.5Å
197D98.2Very high97.8Very high13 Ų1337.2 Ų37.27%0.0720%0.201CC..G310 helixtrans-95.92.1179.3-75.3-14.6000113.4V194 P195 F199 S318 V321 N322 R325V194-D197 HydrophobicContact CG2-CB 4.01Å; V194-D197 PolarHBondContact O-N 3.32Å; P195-D197 PolarHBondContact O-N 3.5Å; D197-F199 PolarHBondContact O-N 2.88Å; D197-S318 WeakPolarHBondContact CB-OG 3.45Å; D197-S318 VanDerWaalsContact CG-OG 3.3Å; D197-S318 WeakPolarHBondContact OD2-CB 3.47Å; D197-S318 PolarHBondContact OD2-OG 2.99Å; D197-V321 HydrophobicContact CB-CG2 3.9Å; D197-N322 PolarHBondContact OD1-ND2 3.3Å; D197-N322 PolarHBondContact OD1-OD1 2.83Å; D197-N322 PolarHBondContact OD2-ND2 3.29Å; D197-R325 IonicContact OD1-NH1 2.84Å; D197-R325 PolarHBondContact OD1-NH1 2.81Å
198H98.6Very high97.6Very high43 Ų4337.7 Ų37.720%0.19920%0.204CC..  trans-62.7127.5171.4-67.215.4000109.4L155 A190 G192 V194 P195 R344L155-H198 HydrophobicContact CD1-CB 4.39Å; L155-H198 HydrophobicContact CD2-CB 4.07Å; A190-H198 WeakPolarHBondContact O-CA 3.4Å; G192-H198 PolarHBondContact N-ND1 3.36Å; G192-H198 VanDerWaalsContact N-ND1 3.11Å; G192-H198 PolarHBondContact O-CE1 2.67Å; G192-H198 VanDerWaalsContact O-CE1 3.31Å; V194-H198 PolarHBondContact O-CE1 3.33Å; V194-H198 PolarHBondContact O-ND1 3.23Å; P195-H198 WeakPolarHBondContact O-CB 3.46Å; P195-H198 PolarHBondContact O-N 2.96Å; H198-R344 PolarHBondContact O-NH1 3.41Å
199F98.8Very high97.1Very high37 Ų3736.5 Ų36.516%0.16220%0.201CC..EExtended strand (participates in β ladder)trans-85125.8173.8-179.8-83.3000108.4L188 A189 A190 D197 L201 L317 V321 P339L188-F199 HydrophobicContact CD2-CD1 3.45Å; L188-F199 VanDerWaalsContact CD2-CD1 3.45Å; L188-F199 HydrophobicContact CD2-CE1 3.73Å; A189-F199 CarbonylContact C-O 3.54Å; A189-F199 VanDerWaalsContact CA-O 3.26Å; A189-F199 WeakPolarHBondContact CA-O 3.27Å; A190-F199 PolarHBondContact N-O 3.47Å; A190-F199 PolarHBondContact O-N 3.33Å; A190-F199 VanDerWaalsContact O-N 3.07Å; D197-F199 PolarHBondContact O-N 2.88Å; F199-L201 HydrophobicContact CE1-CB 3.66Å; F199-L201 HydrophobicContact CZ-CB 4.14Å; F199-L317 HydrophobicContact CB-CD1 4.23Å; F199-L317 HydrophobicContact CB-CD2 4.16Å; F199-V321 HydrophobicContact CD2-CG1 4.38Å; F199-P339 HydrophobicContact CD2-CB 4.41Å; F199-P339 HydrophobicContact CD2-CG 4.48Å; F199-P339 HydrophobicContact CE1-CB 4.31Å; F199-P339 HydrophobicContact CE2-CB 3.88Å; F199-P339 HydrophobicContact CE2-CG 3.57Å; F199-P339 HydrophobicContact CZ-CB 3.83Å; F199-P339 HydrophobicContact CZ-CG 3.61Å
200V98.5Very high96.5Very high8 Ų837.8 Ų37.85%0.04821%0.208CC..EExtended strand (participates in β ladder)trans-137.4107.4179.4-172.60000110.1L152 L155 L188 A189 P339 G340L152-V200 HydrophobicContact CD2-CG1 3.97Å; L152-V200 HydrophobicContact CD2-CG2 3.84Å; L152-V200 HydrophobicContact CG-CG1 4.34Å; L155-V200 HydrophobicContact CD2-CG2 4.17Å; L188-V200 CarbonylContact O-C 3.59Å; L188-V200 WeakPolarHBondContact O-CA 3.14Å; A189-V200 HydrophobicContact CB-CG2 4.49Å; V200-P339 PolarHBondContact N-O 2.95Å; V200-P339 CarbonylContact O-C 3.6Å; V200-P339 VanDerWaalsContact O-CB 3.29Å; V200-P339 WeakPolarHBondContact O-CB 2.93Å; V200-G340 WeakPolarHBondContact O-CA 3.4Å; V200-G340 PolarHBondContact O-N 2.74Å
201L98.5Very high95.7Very high49 Ų4938.3 Ų38.326%0.25721%0.214SC..EExtended strand (participates in β ladder)trans-104.7127.9174179.469.1000109.7T187 L188 F199 M203 P339T187-L201 CarbonylContact C-O 3.58Å; T187-L201 WeakPolarHBondContact CA-O 3.32Å; T187-L201 VanDerWaalsContact CB-O 3.27Å; T187-L201 WeakPolarHBondContact CB-O 3.39Å; L188-L201 PolarHBondContact N-O 3.48Å; L188-L201 PolarHBondContact O-N 3.05Å; F199-L201 HydrophobicContact CE1-CB 3.66Å; F199-L201 HydrophobicContact CZ-CB 4.14Å; L201-M203 HydrophobicContact CD1-CB 4.35Å; L201-M203 HydrophobicContact CD1-CG 4.03Å; L201-M203 HydrophobicContact CD1-SD 4.04Å; L201-M203 HydrophobicContact CD2-CG 4.22Å; L201-M203 HydrophobicContact CD2-SD 4.07Å; L201-M203 HydrophobicContact CG-CG 4.05Å; L201-M203 HydrophobicContact CG-SD 4.34Å; L201-P339 HydrophobicContact CB-CB 4.09Å; L201-P339 HydrophobicContact CD1-CB 4.09Å; L201-P339 HydrophobicContact CD1-CG 4.12Å
202D97.4Very high95Very high39 Ų3942.9 Ų42.921%0.20923%0.234CC..EExtended strand (participates in β ladder)trans-134.8108.9166.5-171.7-11.8000108.8A147 G148 T187A147-D202 PolarHBondContact N-OD2 3.04Å; G148-D202 WeakPolarHBondContact CA-OD2 3.19Å; G148-D202 PolarHBondContact N-OD2 2.88Å; T187-D202 HydrophobicContact CG2-CB 4.1Å; T187-D202 WeakPolarHBondContact CG2-OD1 3.43Å
203M96.6Very high94.6Very high55 Ų5542.6 Ų42.627%0.27123%0.231SC..EExtended strand (participates in β ladder)trans-142.5144.4-175.961170.8-10700112.9P185 I186 L201 L251 L265P185-M203 CarbonylContact C-O 3.59Å; P185-M203 WeakPolarHBondContact CA-O 3.27Å; P185-M203 WeakPolarHBondContact CB-O 3.4Å; I186-M203 PolarHBondContact N-O 2.88Å; I186-M203 PolarHBondContact O-N 2.96Å; L201-M203 HydrophobicContact CD1-CB 4.35Å; L201-M203 HydrophobicContact CD1-CG 4.03Å; L201-M203 HydrophobicContact CD1-SD 4.04Å; L201-M203 HydrophobicContact CD2-CG 4.22Å; L201-M203 HydrophobicContact CD2-SD 4.07Å; L201-M203 HydrophobicContact CG-CG 4.05Å; L201-M203 HydrophobicContact CG-SD 4.34Å; M203-L251 HydrophobicContact CE-CD2 3.78Å; M203-L265 HydrophobicContact CE-CD1 4.5Å
204A96.3Very high94Very high27 Ų2737.5 Ų37.522%0.22321%0.209CC..  trans-76153.9163.900000111.1T183 S206T183-A204 CarbonylContact O-C 3.6Å; T183-A204 WeakPolarHBondContact O-CA 3.37Å; T183-A204 WeakPolarHBondContact O-CB 3.35Å; A204-S206 PolarHBondContact O-N 3.02Å
205T98.1Very high93.2Very high2 Ų237.6 Ų37.61%0.01221%0.206CC..SBendtrans-85.23.8170.863.20000112.7T183 N184 I186 L251 L265 G266T183-T205 PolarHBondContact O-N 2.96Å; T183-T205 PolarHBondContact O-OG1 3.29Å; N184-T205 WeakPolarHBondContact O-CG2 3.3Å; N184-T205 PolarHBondContact O-OG1 3.28Å; I186-T205 HydrophobicContact CD1-CG2 3.77Å; I186-T205 HydrophobicContact CG1-CG2 4.08Å; T205-L251 WeakPolarHBondContact O-CB 3.14Å; T205-L251 PolarHBondContact O-N 3.06Å; T205-L265 HydrophobicContact CG2-CB 3.61Å; T205-G266 WeakPolarHBondContact OG1-CA 3.27Å
206S97.8Very high92.7Very high5 Ų534 Ų344%0.03518%0.183CC..BIsolated β-bridgetrans-85.5160.4168.359.30000111.6A204 V208 M249A204-S206 PolarHBondContact O-N 3.02Å; S206-V208 PolarHBondContact O-N 3.04Å; S206-V208 PolarHBondContact OG-O 3.38Å; S206-M249 WeakPolarHBondContact CA-O 3.21Å
207A96.6Very high92.4Very high29 Ų2933.5 Ų33.524%0.2418%0.176CC..SBendtrans-59.1-30.9175.900000112.4G226 M249 P250A207-G226 WeakPolarHBondContact CB-O 3.37Å; A207-M249 HydrophobicContact CB-CB 4.37Å; A207-M249 PolarHBondContact N-O 3.42Å; A207-P250 WeakPolarHBondContact CB-O 3.13Å; A207-P250 PolarHBondContact N-O 2.99Å
208V93.5Very high91.6Very high9 Ų940.9 Ų40.96%0.05520%0.203CC..SBendtrans-153.9155.1179.875.40000110.7S206 K212 I213 W227 L248S206-V208 PolarHBondContact O-N 3.04Å; S206-V208 PolarHBondContact OG-O 3.38Å; V208-K212 HydrophobicContact CG2-CB 3.68Å; V208-K212 HydrophobicContact CG2-CD 3.63Å; V208-K212 HydrophobicContact CG2-CG 4Å; V208-I213 HydrophobicContact CG1-CD1 3.78Å; V208-I213 HydrophobicContact CG1-CG1 3.76Å; V208-W227 HydrophobicContact CB-CD2 3.79Å; V208-W227 HydrophobicContact CB-CE3 4.08Å; V208-W227 HydrophobicContact CB-CG 4.01Å; V208-W227 HydrophobicContact CG1-CB 3.86Å; V208-W227 HydrophobicContact CG1-CD2 3.8Å; V208-W227 HydrophobicContact CG1-CE3 3.86Å; V208-W227 HydrophobicContact CG1-CG 3.84Å; V208-W227 HydrophobicContact CG2-CD2 3.84Å; V208-W227 HydrophobicContact CG2-CE3 3.78Å; V208-W227 HydrophobicContact CG2-CH2 3.92Å; V208-W227 HydrophobicContact CG2-CZ2 3.96Å; V208-W227 HydrophobicContact CG2-CZ3 3.83Å; V208-L248 HydrophobicContact CG1-CD2 4.07Å
209A87.7Confident90.8Very high26 Ų2644.6 Ų44.622%0.21522%0.216CC..  trans-71.3141.3167.900000111.1G211 K212A209-G211 PolarHBondContact O-N 3.15Å; A209-G211 VanDerWaalsContact O-N 3.11Å; A209-K212 PolarHBondContact O-N 3.42Å
210L86.6Confident90.3Very high27 Ų2746.2 Ų46.214%0.14124%0.242CC..Hα-helixtrans-53-36.7-179.9-169.666.3000112.8L170 K212 I213 E214 M243 L248L170-L210 HydrophobicContact CD1-CD2 4.34Å; L170-L210 HydrophobicContact CD2-CD2 4.37Å; L210-K212 VanDerWaalsContact C-N 3.27Å; L210-K212 PolarHBondContact O-N 3.21Å; L210-I213 PolarHBondContact O-N 2.94Å; L210-I213 VanDerWaalsContact O-N 3.12Å; L210-E214 PolarHBondContact O-N 2.9Å; L210-M243 HydrophobicContact CD1-CE 4.19Å; L210-M243 HydrophobicContact CD1-SD 3.41Å; L210-M243 WeakPolarHBondContact CD1-SD 3.47Å; L210-M243 HydrophobicContact CD2-CE 4.5Å; L210-M243 HydrophobicContact CG-CE 4.15Å; L210-M243 HydrophobicContact CG-SD 3.88Å; L210-L248 HydrophobicContact CB-CD1 4.38Å; L210-L248 HydrophobicContact CD1-CD1 4.47Å; L210-L248 HydrophobicContact CD1-CD2 4.21Å; L210-L248 HydrophobicContact CD1-CG 4.39Å
211G81.9Confident90Very high16 Ų1649.9 Ų49.917%0.16526%0.261CS..Hα-helixtrans-60.7-29.6178.900000114.3A209 E214 M215A209-G211 PolarHBondContact O-N 3.15Å; A209-G211 VanDerWaalsContact O-N 3.11Å; G211-E214 PolarHBondContact O-N 3.01Å; G211-M215 PolarHBondContact O-N 3.43Å
212K84.7Confident89.9Confident103 Ų10354.5 Ų54.545%0.44828%0.281SS..Hα-helixtrans-71.4-36.1176.3-62.7-165.2-176.1178.10111.4V208 A209 L210 M215 S216 W227V208-K212 HydrophobicContact CG2-CB 3.68Å; V208-K212 HydrophobicContact CG2-CD 3.63Å; V208-K212 HydrophobicContact CG2-CG 4Å; A209-K212 PolarHBondContact O-N 3.42Å; L210-K212 VanDerWaalsContact C-N 3.27Å; L210-K212 PolarHBondContact O-N 3.21Å; K212-M215 PolarHBondContact O-N 3.31Å; K212-S216 PolarHBondContact O-N 3.36Å; K212-S216 VanDerWaalsContact O-N 3.08Å; K212-S216 PolarHBondContact O-OG 2.98Å; K212-W227 HydrophobicContact CB-CH2 4.4Å; K212-W227 HydrophobicContact CB-CZ3 4.04Å; K212-W227 HydrophobicContact CD-CH2 4.38Å
213I89.6Confident89.8Confident0 Ų052.9 Ų52.90%027%0.272CS..Hα-helixtrans-68.5-42174.3-54.5-167000110.2V208 L210 M215 S216 R217 I223 W227 P239 V242 M243 L248V208-I213 HydrophobicContact CG1-CD1 3.78Å; V208-I213 HydrophobicContact CG1-CG1 3.76Å; L210-I213 PolarHBondContact O-N 2.94Å; L210-I213 VanDerWaalsContact O-N 3.12Å; I213-M215 VanDerWaalsContact C-N 3.28Å; I213-M215 PolarHBondContact O-N 3.47Å; I213-S216 PolarHBondContact O-N 3.32Å; I213-R217 WeakPolarHBondContact O-CB 3.36Å; I213-R217 PolarHBondContact O-N 3.48Å; I213-I223 HydrophobicContact CD1-CD1 4.02Å; I213-I223 HydrophobicContact CG1-CD1 4.42Å; I213-I223 HydrophobicContact CG2-CD1 4.29Å; I213-I223 HydrophobicContact CG2-CG2 4.33Å; I213-W227 HydrophobicContact CG1-CE3 4.32Å; I213-P239 HydrophobicContact CG2-CB 3.77Å; I213-V242 HydrophobicContact CD1-CG1 3.66Å; I213-V242 HydrophobicContact CG2-CB 4.32Å; I213-V242 HydrophobicContact CG2-CG1 4.12Å; I213-M243 HydrophobicContact CB-CG 4.42Å; I213-M243 HydrophobicContact CB-SD 4.1Å; I213-M243 HydrophobicContact CG2-CG 3.68Å; I213-M243 HydrophobicContact CG2-SD 3.99Å; I213-L248 HydrophobicContact CD1-CD2 3.27Å; I213-L248 HydrophobicContact CG1-CD2 4.25Å
214E86.1Confident89.7Confident41 Ų4153.4 Ų53.419%0.19228%0.28CS..Hα-helixtrans-59.3-40.7175.3-170.6-179.9174.100111.9L210 G211 R217 R218 M243L210-E214 PolarHBondContact O-N 2.9Å; G211-E214 PolarHBondContact O-N 3.01Å; E214-R217 WeakPolarHBondContact O-CB 3.39Å; E214-R217 PolarHBondContact O-N 3.37Å; E214-R218 WeakPolarHBondContact O-CG 3.43Å; E214-R218 PolarHBondContact O-N 3.27Å; E214-R218 IonicContact OE1-CZ 2.65Å; E214-R218 IonicContact OE1-NE 2.79Å; E214-R218 PolarHBondContact OE1-NE 3.16Å; E214-R218 IonicContact OE1-NH2 3.35Å; E214-R218 PolarHBondContact OE1-NH2 3.44Å; E214-M243 HydrophobicContact CB-CE 3.97Å; E214-M243 HydrophobicContact CB-SD 4.32Å; E214-M243 HydrophobicContact CG-CE 4.23Å
215M80Confident89.6Confident63 Ų6358.3 Ų58.331%0.3130%0.296SS..Hα-helixtrans-62.4-46.1174.4-177.4178.762.700112G211 K212 I213 R217 R218 R219G211-M215 PolarHBondContact O-N 3.43Å; K212-M215 PolarHBondContact O-N 3.31Å; I213-M215 VanDerWaalsContact C-N 3.28Å; I213-M215 PolarHBondContact O-N 3.47Å; M215-R217 VanDerWaalsContact C-N 3.32Å; M215-R217 PolarHBondContact O-N 2.88Å; M215-R218 PolarHBondContact O-N 3.48Å; M215-R219 WeakPolarHBondContact O-CG 3.46Å; M215-R219 PolarHBondContact O-N 3.4Å; M215-R219 VanDerWaalsContact O-N 3.09Å
216S85.5Confident89.5Confident10 Ų1058.5 Ų58.57%0.0730%0.299CS..Hα-helixtrans-60.7-41.1175.2-67.50000112.1K212 I213 R218 R219 G220 I221K212-S216 PolarHBondContact O-N 3.36Å; K212-S216 VanDerWaalsContact O-N 3.08Å; K212-S216 PolarHBondContact O-OG 2.98Å; I213-S216 PolarHBondContact O-N 3.32Å; S216-R218 PolarHBondContact O-N 3.04Å; S216-R219 CarbonylContact O-C 3.59Å; S216-R219 PolarHBondContact O-N 3.46Å; S216-G220 PolarHBondContact O-N 2.9Å; S216-I221 PolarHBondContact O-N 3.44Å; S216-I221 VanDerWaalsContact O-N 3.12Å
217R89.5Confident89.4Confident101 Ų10161.4 Ų61.438%0.38131%0.309SS..Hα-helixtrans-57.5-48.5174.8-166.6-177.373.1105.4-0.9111.8I213 E214 M215 R219 G220 P239 N240I213-R217 WeakPolarHBondContact O-CB 3.36Å; I213-R217 PolarHBondContact O-N 3.48Å; E214-R217 WeakPolarHBondContact O-CB 3.39Å; E214-R217 PolarHBondContact O-N 3.37Å; M215-R217 VanDerWaalsContact C-N 3.32Å; M215-R217 PolarHBondContact O-N 2.88Å; R217-R219 PolarHBondContact O-N 3.46Å; R217-G220 PolarHBondContact O-N 3.47Å; R217-G220 VanDerWaalsContact O-N 3.15Å; R217-P239 HydrophobicContact CB-CB 3.94Å; R217-P239 HydrophobicContact CB-CG 4.21Å; R217-N240 HydrophobicContact CG-CB 4.15Å
218R80.6Confident89.4Confident168 Ų16860 Ų6063%0.63430%0.298SS*.Hα-helixtrans-63.9-31179-70.4176.4-173.9-1552.6112.4E214 M215 S216E214-R218 WeakPolarHBondContact O-CG 3.43Å; E214-R218 PolarHBondContact O-N 3.27Å; E214-R218 IonicContact OE1-CZ 2.65Å; E214-R218 IonicContact OE1-NE 2.79Å; E214-R218 PolarHBondContact OE1-NE 3.16Å; E214-R218 IonicContact OE1-NH2 3.35Å; E214-R218 PolarHBondContact OE1-NH2 3.44Å; M215-R218 PolarHBondContact O-N 3.48Å; S216-R218 PolarHBondContact O-N 3.04Å
219R83.3Confident89.6Confident122 Ų12259.6 Ų59.646%0.4630%0.295SS..Hα-helixtrans-85.1-7.9177.2-69.7178.2179.2177.90.5113.6M215 S216 R217 I221M215-R219 WeakPolarHBondContact O-CG 3.46Å; M215-R219 PolarHBondContact O-N 3.4Å; M215-R219 VanDerWaalsContact O-N 3.09Å; S216-R219 CarbonylContact O-C 3.59Å; S216-R219 PolarHBondContact O-N 3.46Å; R217-R219 PolarHBondContact O-N 3.46Å; R219-I221 HydrophobicContact CB-CD1 4.19Å; R219-I221 HydrophobicContact CB-CG1 4.01Å; R219-I221 HydrophobicContact CB-CG2 4.3Å; R219-I221 PolarHBondContact O-N 2.88Å
220G87.4Confident89.9Confident70 Ų7059.8 Ų59.872%0.72229%0.293SS*.THydrogen-bonded Turntrans62.730.5-175.800000113.4S216 R217S216-G220 PolarHBondContact O-N 2.9Å; R217-G220 PolarHBondContact O-N 3.47Å; R217-G220 VanDerWaalsContact O-N 3.15Å
221I92.1Very high90.3Very high85 Ų8562.3 Ų62.344%0.43631%0.309SS..  trans-109.7143.8179.363178.8000110.7S216 R219 P239S216-I221 PolarHBondContact O-N 3.44Å; S216-I221 VanDerWaalsContact O-N 3.12Å; R219-I221 HydrophobicContact CB-CD1 4.19Å; R219-I221 HydrophobicContact CB-CG1 4.01Å; R219-I221 HydrophobicContact CB-CG2 4.3Å; R219-I221 PolarHBondContact O-N 2.88Å; I221-P239 WeakPolarHBondContact O-CG 3.41Å
222E96.3Very high90.9Very high147 Ų14765.7 Ų65.769%0.68732%0.324SS*.PPolyproline II helixtrans-61.2149.1173.7-66-174.8150.300111.6V237E222-V237 CarbonylContact C-O 3.46Å; E222-V237 VanDerWaalsContact CA-O 3.32Å; E222-V237 WeakPolarHBondContact CA-O 3.42Å; E222-V237 HydrophobicContact CB-CB 4.35Å; E222-V237 HydrophobicContact CG-CG2 4.39Å
223I95.4Very high91.3Very high4 Ų461.8 Ų61.82%0.02131%0.312CS..PPolyproline II helixtrans-92.615417158.9173.4000110.6I213 W227 V237 P239 V242I213-I223 HydrophobicContact CD1-CD1 4.02Å; I213-I223 HydrophobicContact CG1-CD1 4.42Å; I213-I223 HydrophobicContact CG2-CD1 4.29Å; I213-I223 HydrophobicContact CG2-CG2 4.33Å; I223-W227 HydrophobicContact CB-CE3 3.95Å; I223-W227 HydrophobicContact CD1-CB 3.94Å; I223-W227 HydrophobicContact CG2-CE3 4.05Å; I223-W227 HydrophobicContact CG2-CZ3 4.42Å; I223-V237 WeakPolarHBondContact CG1-O 3.19Å; I223-V237 PolarHBondContact N-O 3.02Å; I223-V237 WeakPolarHBondContact O-CB 3.35Å; I223-V237 WeakPolarHBondContact O-CG1 3.44Å; I223-P239 HydrophobicContact CG2-CB 3.92Å; I223-V242 HydrophobicContact CD1-CG2 3.95Å
224P95Very high91.5Very high67 Ų6768.2 Ų68.244%0.43534%0.34SS..PPolyproline II helixtrans-54.7143171.3-26.235.2000112.8G226 W227P224-G226 PolarHBondContact O-N 2.89Å; P224-W227 HydrophobicContact CB-CD2 4.33Å; P224-W227 HydrophobicContact CB-CG 4.33Å; P224-W227 HydrophobicContact CG-CD2 4.09Å; P224-W227 HydrophobicContact CG-CE3 4.48Å; P224-W227 HydrophobicContact CG-CH2 4.3Å; P224-W227 HydrophobicContact CG-CZ2 3.89Å; P224-W227 WeakPolarHBondContact O-CB 3.33Å; P224-W227 PolarHBondContact O-N 3.12Å
225K94.6Very high91.9Very high129 Ų12968 Ų6856%0.56134%0.342SS*.THydrogen-bonded Turntrans-55137.8171.2-167.6-173-173.3-133.40109.6T235 V237 E254 E256K225-T235 HydrophobicContact CG-CG2 3.65Å; K225-V237 HydrophobicContact CB-CG1 4.33Å; K225-E254 VanDerWaalsContact CE-OE2 3.22Å; K225-E254 WeakPolarHBondContact CE-OE2 3.45Å; K225-E254 IonicContact NZ-OE1 3.45Å; K225-E254 PolarHBondContact NZ-OE1 3.11Å; K225-E254 IonicContact NZ-OE2 3.83Å; K225-E254 PolarHBondContact NZ-OE2 3.04Å; K225-E256 IonicContact NZ-OE1 3.3Å
226G95Very high92.7Very high7 Ų765.9 Ų65.97%0.07233%0.333CS..THydrogen-bonded Turntrans88.2-0.2178.400000115A207 P224 M249 G253A207-G226 WeakPolarHBondContact CB-O 3.37Å; P224-G226 PolarHBondContact O-N 2.89Å; G226-M249 VanDerWaalsContact O-CB 3.23Å; G226-M249 WeakPolarHBondContact O-CB 3.42Å; G226-G253 WeakPolarHBondContact O-CA 2.92Å
227W96.5Very high93.2Very high65 Ų6567.8 Ų67.825%0.24634%0.344CS..SBendtrans-78.1-37.6171.5-82.620.5000113V208 K212 I213 I223 P224 M249V208-W227 HydrophobicContact CB-CD2 3.79Å; V208-W227 HydrophobicContact CB-CE3 4.08Å; V208-W227 HydrophobicContact CB-CG 4.01Å; V208-W227 HydrophobicContact CG1-CB 3.86Å; V208-W227 HydrophobicContact CG1-CD2 3.8Å; V208-W227 HydrophobicContact CG1-CE3 3.86Å; V208-W227 HydrophobicContact CG1-CG 3.84Å; V208-W227 HydrophobicContact CG2-CD2 3.84Å; V208-W227 HydrophobicContact CG2-CE3 3.78Å; V208-W227 HydrophobicContact CG2-CH2 3.92Å; V208-W227 HydrophobicContact CG2-CZ2 3.96Å; V208-W227 HydrophobicContact CG2-CZ3 3.83Å; K212-W227 HydrophobicContact CB-CH2 4.4Å; K212-W227 HydrophobicContact CB-CZ3 4.04Å; K212-W227 HydrophobicContact CD-CH2 4.38Å; I213-W227 HydrophobicContact CG1-CE3 4.32Å; I223-W227 HydrophobicContact CB-CE3 3.95Å; I223-W227 HydrophobicContact CD1-CB 3.94Å; I223-W227 HydrophobicContact CG2-CE3 4.05Å; I223-W227 HydrophobicContact CG2-CZ3 4.42Å; P224-W227 HydrophobicContact CB-CD2 4.33Å; P224-W227 HydrophobicContact CB-CG 4.33Å; P224-W227 HydrophobicContact CG-CD2 4.09Å; P224-W227 HydrophobicContact CG-CE3 4.48Å; P224-W227 HydrophobicContact CG-CH2 4.3Å; P224-W227 HydrophobicContact CG-CZ2 3.89Å; P224-W227 WeakPolarHBondContact O-CB 3.33Å; P224-W227 PolarHBondContact O-N 3.12Å; W227-M249 PolarHBondContact O-N 3.38Å; W227-M249 VanDerWaalsContact O-N 3.13Å
228G96.3Very high93.6Very high0 Ų066.3 Ų66.30%034%0.344CS..EExtended strand (participates in β ladder)trans-151.6172.2-176.200000113.2T235 S236 G247G228-T235 WeakPolarHBondContact O-CA 3.08Å; G228-S236 PolarHBondContact O-N 3.22Å; G228-G247 CarbonylContact C-O 3.55Å; G228-G247 VanDerWaalsContact CA-O 3.23Å; G228-G247 WeakPolarHBondContact CA-O 3.31Å
229A97Very high94.3Very high0 Ų058.7 Ų58.70%032%0.316CS..EExtended strand (participates in β ladder)trans-137.4163.3179.900000110.9F172 K234 G246 G247 M249F172-A229 HydrophobicContact CD2-CB 3.82Å; F172-A229 HydrophobicContact CE2-CB 3.66Å; A229-K234 CarbonylContact C-O 3.53Å; A229-K234 WeakPolarHBondContact CA-O 3.48Å; A229-K234 WeakPolarHBondContact CB-O 3.19Å; A229-G246 VanDerWaalsContact O-CA 3.24Å; A229-G246 WeakPolarHBondContact O-CA 3.47Å; A229-G247 PolarHBondContact N-O 3.22Å; A229-G247 PolarHBondContact O-N 3.3Å; A229-M249 HydrophobicContact CB-SD 3.83Å
230D95.4Very high94.8Very high31 Ų3156.3 Ų56.317%0.16631%0.313CS..  trans-81.4-167177.57014.8000113F172 D232 G233 K234 L241 G246F172-D230 WeakPolarHBondContact CZ-O 3.13Å; D230-D232 PolarHBondContact O-N 3.42Å; D230-D232 WeakPolarHBondContact OD1-CA 3.49Å; D230-D232 PolarHBondContact OD1-N 2.91Å; D230-G233 PolarHBondContact O-N 2.97Å; D230-G233 VanDerWaalsContact O-N 3.15Å; D230-G233 PolarHBondContact OD1-N 3.42Å; D230-K234 PolarHBondContact N-O 2.63Å; D230-K234 PolarHBondContact OD1-N 2.88Å; D230-L241 HydrophobicContact CB-CD2 3.41Å; D230-L241 VanDerWaalsContact CB-CD2 3.41Å; D230-L241 HydrophobicContact CB-CG 3.85Å; D230-G246 WeakPolarHBondContact O-CA 3.08Å
231T94.6Very high95.2Very high79 Ų7955.3 Ų55.349%0.48529%0.29SS..THydrogen-bonded Turntrans-66.5-21.8-177.7-153.20000114.6K245T231-K245 WeakPolarHBondContact CA-O 3.34Å; T231-K245 WeakPolarHBondContact CB-O 3.39Å; T231-K245 PolarHBondContact N-O 3.31Å; T231-K245 PolarHBondContact OG1-O 3.25Å; T231-K245 VanDerWaalsContact OG1-O 3.05Å
232D93.3Very high95.3Very high88 Ų8851.3 Ų51.347%0.47127%0.27SS..THydrogen-bonded Turntrans-94.62.1178.3-68.3-39.8000112R177 D230 K234R177-D232 VanDerWaalsContact CB-O 3.29Å; R177-D232 WeakPolarHBondContact CB-O 3.39Å; D230-D232 PolarHBondContact O-N 3.42Å; D230-D232 WeakPolarHBondContact OD1-CA 3.49Å; D230-D232 PolarHBondContact OD1-N 2.91Å; D232-K234 VanDerWaalsContact C-N 3.29Å; D232-K234 HydrophobicContact CB-CD 4.46Å; D232-K234 HydrophobicContact CB-CG 4.29Å
233G93Very high95.1Very high20 Ų2047 Ų4721%0.20625%0.25CS..SBendtrans75.316.6-174.500000113.3D230D230-G233 PolarHBondContact O-N 2.97Å; D230-G233 VanDerWaalsContact O-N 3.15Å; D230-G233 PolarHBondContact OD1-N 3.42Å
234K94.2Very high94.9Very high135 Ų13550.7 Ų50.759%0.58727%0.273SS*.  trans-87.9134.1175-61.8178-176.8168.50109.8A229 D230 D232 S236A229-K234 CarbonylContact C-O 3.53Å; A229-K234 WeakPolarHBondContact CA-O 3.48Å; A229-K234 WeakPolarHBondContact CB-O 3.19Å; D230-K234 PolarHBondContact N-O 2.63Å; D230-K234 PolarHBondContact OD1-N 2.88Å; D232-K234 VanDerWaalsContact C-N 3.29Å; D232-K234 HydrophobicContact CB-CD 4.46Å; D232-K234 HydrophobicContact CB-CG 4.29Å; K234-S236 PolarHBondContact O-N 3.33Å
235T94.9Very high94.6Very high37 Ų3754 Ų5423%0.22728%0.281CS..EExtended strand (participates in β ladder)trans-55.5136-177.4-62.70000112K225 G228 E254K225-T235 HydrophobicContact CG-CG2 3.65Å; G228-T235 WeakPolarHBondContact O-CA 3.08Å; T235-E254 VanDerWaalsContact OG1-CG 3.27Å; T235-E254 WeakPolarHBondContact OG1-CG 3.27Å; T235-E254 PolarHBondContact OG1-OE1 3.16Å
236S96.2Very high94.7Very high18 Ų1848.5 Ų48.513%0.12626%0.261CS..EExtended strand (participates in β ladder)trans-134.8148.4-179.4-179.50000111.1G228 K234 D238G228-S236 PolarHBondContact O-N 3.22Å; K234-S236 PolarHBondContact O-N 3.33Å; S236-D238 PolarHBondContact OG-N 3.48Å; S236-D238 VanDerWaalsContact OG-N 3.09Å
237V97Very high94.7Very high51 Ų5148.5 Ų48.531%0.30926%0.26SS..SBendtrans-101.3-3.3172.3-60.70000112.4E222 I223 K225 P239E222-V237 CarbonylContact C-O 3.46Å; E222-V237 VanDerWaalsContact CA-O 3.32Å; E222-V237 WeakPolarHBondContact CA-O 3.42Å; E222-V237 HydrophobicContact CB-CB 4.35Å; E222-V237 HydrophobicContact CG-CG2 4.39Å; I223-V237 WeakPolarHBondContact CG1-O 3.19Å; I223-V237 PolarHBondContact N-O 3.02Å; I223-V237 WeakPolarHBondContact O-CB 3.35Å; I223-V237 WeakPolarHBondContact O-CG1 3.44Å; K225-V237 HydrophobicContact CB-CG1 4.33Å; V237-P239 VanDerWaalsContact O-CD 3.28Å; V237-P239 WeakPolarHBondContact O-CD 3.33Å
238D96.8Very high94.8Very high69 Ų6945.4 Ų45.437%0.36925%0.249SC..  trans-84.3108.6175.9177.4-3.4000110.2S236 N240 L241 V242S236-D238 PolarHBondContact OG-N 3.48Å; S236-D238 VanDerWaalsContact OG-N 3.09Å; D238-N240 PolarHBondContact O-N 3.29Å; D238-N240 WeakPolarHBondContact OD1-CA 3.31Å; D238-N240 VanDerWaalsContact OD1-CB 3.31Å; D238-N240 WeakPolarHBondContact OD1-CB 3.28Å; D238-N240 PolarHBondContact OD1-N 2.81Å; D238-L241 HydrophobicContact CB-CB 3.92Å; D238-L241 PolarHBondContact O-N 3.21Å; D238-L241 PolarHBondContact OD1-N 3.41Å; D238-V242 VanDerWaalsContact O-CG2 3.27Å; D238-V242 WeakPolarHBondContact O-CG2 3.42Å; D238-V242 PolarHBondContact O-N 3.11Å; D238-V242 VanDerWaalsContact O-N 3.13Å
239P95.2Very high94.9Very high9 Ų946.3 Ų46.36%0.05825%0.253CS..Hα-helixtrans-65-26.3179.929.9-38.5000113.4I213 R217 I221 I223 V237 M243I213-P239 HydrophobicContact CG2-CB 3.77Å; R217-P239 HydrophobicContact CB-CB 3.94Å; R217-P239 HydrophobicContact CB-CG 4.21Å; I221-P239 WeakPolarHBondContact O-CG 3.41Å; I223-P239 HydrophobicContact CG2-CB 3.92Å; V237-P239 VanDerWaalsContact O-CD 3.28Å; V237-P239 WeakPolarHBondContact O-CD 3.33Å; P239-M243 WeakPolarHBondContact O-CB 3.45Å; P239-M243 WeakPolarHBondContact O-CG 3.25Å; P239-M243 PolarHBondContact O-N 3.19Å
240N94.8Very high94.9Very high72 Ų7246.4 Ų46.439%0.38525%0.254SS..Hα-helixtrans-72.4-43.5178.5-17261.4000110.9R217 D238 V242 M243 T244R217-N240 HydrophobicContact CG-CB 4.15Å; D238-N240 PolarHBondContact O-N 3.29Å; D238-N240 WeakPolarHBondContact OD1-CA 3.31Å; D238-N240 VanDerWaalsContact OD1-CB 3.31Å; D238-N240 WeakPolarHBondContact OD1-CB 3.28Å; D238-N240 PolarHBondContact OD1-N 2.81Å; N240-V242 VanDerWaalsContact C-N 3.35Å; N240-M243 PolarHBondContact O-N 2.98Å; N240-T244 WeakPolarHBondContact O-CB 3.32Å; N240-T244 WeakPolarHBondContact O-CG2 3.42Å; N240-T244 PolarHBondContact O-N 3.28Å; N240-T244 PolarHBondContact O-OG1 2.68Å
241L94.7Very high95Very high48 Ų4848.2 Ų48.225%0.25126%0.263SS..Hα-helixtrans-59.6-46.7174.5-172.468.8000111.2D230 D238 T244 K245 G246D230-L241 HydrophobicContact CB-CD2 3.41Å; D230-L241 VanDerWaalsContact CB-CD2 3.41Å; D230-L241 HydrophobicContact CB-CG 3.85Å; D238-L241 HydrophobicContact CB-CB 3.92Å; D238-L241 PolarHBondContact O-N 3.21Å; D238-L241 PolarHBondContact OD1-N 3.41Å; L241-T244 PolarHBondContact O-N 3.31Å; L241-K245 HydrophobicContact CD1-CB 4.33Å; L241-K245 HydrophobicContact CD1-CD 4.17Å; L241-K245 PolarHBondContact O-N 2.99Å; L241-G246 PolarHBondContact O-N 3.48Å; L241-G246 VanDerWaalsContact O-N 3.11Å
242V96.1Very high95.2Very high2 Ų246 Ų461%0.01226%0.255CS..Hα-helixtrans-61.5-46.8-180173.60000111.4I213 I223 D238 N240 G246 G247I213-V242 HydrophobicContact CD1-CG1 3.66Å; I213-V242 HydrophobicContact CG2-CB 4.32Å; I213-V242 HydrophobicContact CG2-CG1 4.12Å; I223-V242 HydrophobicContact CD1-CG2 3.95Å; D238-V242 VanDerWaalsContact O-CG2 3.27Å; D238-V242 WeakPolarHBondContact O-CG2 3.42Å; D238-V242 PolarHBondContact O-N 3.11Å; D238-V242 VanDerWaalsContact O-N 3.13Å; N240-V242 VanDerWaalsContact C-N 3.35Å; V242-G246 CarbonylContact O-C 3.47Å; V242-G246 WeakPolarHBondContact O-CA 3.47Å; V242-G246 PolarHBondContact O-N 3.29Å; V242-G247 WeakPolarHBondContact CG1-O 3.35Å; V242-G247 PolarHBondContact O-N 2.99Å
243M91.4Very high95.3Very high55 Ų5542 Ų4227%0.27124%0.236SC..Hα-helixtrans-70.6-33-177.5-73.7-69.2-59.100114L210 I213 E214 P239 N240L210-M243 HydrophobicContact CD1-CE 4.19Å; L210-M243 HydrophobicContact CD1-SD 3.41Å; L210-M243 WeakPolarHBondContact CD1-SD 3.47Å; L210-M243 HydrophobicContact CD2-CE 4.5Å; L210-M243 HydrophobicContact CG-CE 4.15Å; L210-M243 HydrophobicContact CG-SD 3.88Å; I213-M243 HydrophobicContact CB-CG 4.42Å; I213-M243 HydrophobicContact CB-SD 4.1Å; I213-M243 HydrophobicContact CG2-CG 3.68Å; I213-M243 HydrophobicContact CG2-SD 3.99Å; E214-M243 HydrophobicContact CB-CE 3.97Å; E214-M243 HydrophobicContact CB-SD 4.32Å; E214-M243 HydrophobicContact CG-CE 4.23Å; P239-M243 WeakPolarHBondContact O-CB 3.45Å; P239-M243 WeakPolarHBondContact O-CG 3.25Å; P239-M243 PolarHBondContact O-N 3.19Å; N240-M243 PolarHBondContact O-N 2.98Å
244T90.1Very high95.4Very high82 Ų8243.2 Ų43.250%0.50324%0.236SC..Hα-helixtrans-102.1-29.7-169.159.60000113.9N240 L241N240-T244 WeakPolarHBondContact O-CB 3.32Å; N240-T244 WeakPolarHBondContact O-CG2 3.42Å; N240-T244 PolarHBondContact O-N 3.28Å; N240-T244 PolarHBondContact O-OG1 2.68Å; L241-T244 PolarHBondContact O-N 3.31Å
245K90.6Very high95.4Very high138 Ų13840.7 Ų40.760%0.623%0.226SC*.Hα-helixtrans-130.4-12.4-172.7-63.8-177.6-177.6178.20113.7T231 L241T231-K245 WeakPolarHBondContact CA-O 3.34Å; T231-K245 WeakPolarHBondContact CB-O 3.39Å; T231-K245 PolarHBondContact N-O 3.31Å; T231-K245 PolarHBondContact OG1-O 3.25Å; T231-K245 VanDerWaalsContact OG1-O 3.05Å; L241-K245 HydrophobicContact CD1-CB 4.33Å; L241-K245 HydrophobicContact CD1-CD 4.17Å; L241-K245 PolarHBondContact O-N 2.99Å
246G95.4Very high95.4Very high13 Ų1345.7 Ų45.713%0.13425%0.247CC..  trans-122.4-138.5-174.500000112.7A229 D230 L241 V242A229-G246 VanDerWaalsContact O-CA 3.24Å; A229-G246 WeakPolarHBondContact O-CA 3.47Å; D230-G246 WeakPolarHBondContact O-CA 3.08Å; L241-G246 PolarHBondContact O-N 3.48Å; L241-G246 VanDerWaalsContact O-N 3.11Å; V242-G246 CarbonylContact O-C 3.47Å; V242-G246 WeakPolarHBondContact O-CA 3.47Å; V242-G246 PolarHBondContact O-N 3.29Å
247G96.2Very high95.4Very high6 Ų649.4 Ų49.46%0.06227%0.266CS..EExtended strand (participates in β ladder)trans178-167.4177.900000112.9G228 A229 V242G228-G247 CarbonylContact C-O 3.55Å; G228-G247 VanDerWaalsContact CA-O 3.23Å; G228-G247 WeakPolarHBondContact CA-O 3.31Å; A229-G247 PolarHBondContact N-O 3.22Å; A229-G247 PolarHBondContact O-N 3.3Å; V242-G247 WeakPolarHBondContact CG1-O 3.35Å; V242-G247 PolarHBondContact O-N 2.99Å
248L97.6Very high95.4Very high0 Ų048.8 Ų48.80%026%0.263CS..EExtended strand (participates in β ladder)trans-85.8151.4-170.2-57.8174.1000111.9L170 V171 F172 T183 V208 L210 I213L170-L248 HydrophobicContact CB-CD1 4.39Å; L170-L248 WeakPolarHBondContact O-CB 3.26Å; L170-L248 PolarHBondContact O-N 3.36Å; V171-L248 WeakPolarHBondContact CA-O 3.44Å; V171-L248 HydrophobicContact CG2-CB 4.06Å; F172-L248 PolarHBondContact N-O 3.32Å; T183-L248 HydrophobicContact CG2-CD1 3.55Å; V208-L248 HydrophobicContact CG1-CD2 4.07Å; L210-L248 HydrophobicContact CB-CD1 4.38Å; L210-L248 HydrophobicContact CD1-CD1 4.47Å; L210-L248 HydrophobicContact CD1-CD2 4.21Å; L210-L248 HydrophobicContact CD1-CG 4.39Å; I213-L248 HydrophobicContact CD1-CD2 3.27Å; I213-L248 HydrophobicContact CG1-CD2 4.25Å
249M97.8Very high95.4Very high20 Ų2045.5 Ų45.510%0.09925%0.246CC..PPolyproline II helixtrans-86.2153.8164.9-64.3-61.9-72.300110.3S206 A207 G226 W227 A229 G253 E254S206-M249 WeakPolarHBondContact CA-O 3.21Å; A207-M249 HydrophobicContact CB-CB 4.37Å; A207-M249 PolarHBondContact N-O 3.42Å; G226-M249 VanDerWaalsContact O-CB 3.23Å; G226-M249 WeakPolarHBondContact O-CB 3.42Å; W227-M249 PolarHBondContact O-N 3.38Å; W227-M249 VanDerWaalsContact O-N 3.13Å; A229-M249 HydrophobicContact CB-SD 3.83Å; M249-G253 WeakPolarHBondContact CE-O 3.42Å; M249-E254 HydrophobicContact CE-CG 4.12Å
250P98.1Very high95.6Very high1 Ų150.5 Ų50.51%0.00626%0.264CS..BIsolated β-bridgetrans-66163.2172.528.6-34.7000111.4V171 F172 A207 G252 G253 G259V171-P250 HydrophobicContact CG1-CB 4.13Å; F172-P250 WeakPolarHBondContact O-CD 3.01Å; A207-P250 WeakPolarHBondContact CB-O 3.13Å; A207-P250 PolarHBondContact N-O 2.99Å; P250-G252 PolarHBondContact O-N 2.83Å; P250-G253 WeakPolarHBondContact O-CA 3.38Å; P250-G253 PolarHBondContact O-N 2.85Å; P250-G259 VanDerWaalsContact CB-O 3.27Å; P250-G259 WeakPolarHBondContact CB-O 3.23Å; P250-G259 WeakPolarHBondContact CG-O 3.37Å
251L97.8Very high95.7Very high70 Ų7053 Ų5337%0.36627%0.272SS..THydrogen-bonded Turntrans-55.4128.1172.8174.367000110.2M203 T205 G259 G262 L265M203-L251 HydrophobicContact CE-CD2 3.78Å; T205-L251 WeakPolarHBondContact O-CB 3.14Å; T205-L251 PolarHBondContact O-N 3.06Å; L251-G259 WeakPolarHBondContact O-CA 3.44Å; L251-G262 VanDerWaalsContact O-CA 3.29Å; L251-G262 WeakPolarHBondContact O-CA 3.23Å; L251-G262 PolarHBondContact O-N 2.67Å; L251-G262 VanDerWaalsContact O-N 3.16Å; L251-L265 HydrophobicContact CD2-CD1 4.41Å
252G97Very high95.9Very high31 Ų3150.8 Ų50.832%0.3226%0.26SS..THydrogen-bonded Turntrans96.6-11.5-167.300000113.5P250 E254 N257P250-G252 PolarHBondContact O-N 2.83Å; G252-E254 PolarHBondContact O-N 2.99Å; G252-N257 CarbonylContact C-O 3.52Å; G252-N257 WeakPolarHBondContact CA-O 3.37Å; G252-N257 CarbonylContact O-C 3.59Å; G252-N257 WeakPolarHBondContact O-CB 3.49Å
253G96.1Very high96Very high6 Ų653.7 Ų53.76%0.06227%0.272CS..  trans72.8-125.5173.800000113G226 M249 P250 G259G226-G253 WeakPolarHBondContact O-CA 2.92Å; M249-G253 WeakPolarHBondContact CE-O 3.42Å; P250-G253 WeakPolarHBondContact O-CA 3.38Å; P250-G253 PolarHBondContact O-N 2.85Å; G253-G259 WeakPolarHBondContact O-CA 3.22Å
254E94.6Very high96.4Very high44 Ų4452.8 Ų52.821%0.20628%0.276CS..SBendtrans-66.4163.4175.9-71.2170.5125.200112K225 T235 M249 G252 E256 N257 S258 G259K225-E254 VanDerWaalsContact CE-OE2 3.22Å; K225-E254 WeakPolarHBondContact CE-OE2 3.45Å; K225-E254 IonicContact NZ-OE1 3.45Å; K225-E254 PolarHBondContact NZ-OE1 3.11Å; K225-E254 IonicContact NZ-OE2 3.83Å; K225-E254 PolarHBondContact NZ-OE2 3.04Å; T235-E254 VanDerWaalsContact OG1-CG 3.27Å; T235-E254 WeakPolarHBondContact OG1-CG 3.27Å; T235-E254 PolarHBondContact OG1-OE1 3.16Å; M249-E254 HydrophobicContact CE-CG 4.12Å; G252-E254 PolarHBondContact O-N 2.99Å; E254-E256 VanDerWaalsContact C-N 3.3Å; E254-E256 HydrophobicContact CB-CG 4.14Å; E254-E256 PolarHBondContact O-N 3.31Å; E254-N257 CarbonylContact O-C 3.52Å; E254-N257 PolarHBondContact O-N 2.84Å; E254-S258 PolarHBondContact O-N 3.45Å; E254-G259 PolarHBondContact O-N 2.91Å
255E94.9Very high96.8Very high83 Ų8351.7 Ų51.739%0.38827%0.267SS..G310 helixtrans-59.8-39.4-177.4-171.7174.5166.200112.8T174 R175 N257 S258 Y260T174-E255 HydrophobicContact CG2-CB 4.05Å; T174-E255 HydrophobicContact CG2-CG 4.09Å; R175-E255 WeakPolarHBondContact CG-OE2 3.29Å; R175-E255 IonicContact CZ-OE1 3.89Å; R175-E255 IonicContact CZ-OE2 3.58Å; R175-E255 IonicContact NE-OE1 3.62Å; R175-E255 PolarHBondContact NE-OE1 2.96Å; R175-E255 IonicContact NE-OE2 2.85Å; R175-E255 PolarHBondContact NE-OE2 3.02Å; R175-E255 IonicContact NH2-OE1 3.18Å; R175-E255 PolarHBondContact NH2-OE1 3.49Å; R175-E255 IonicContact NH2-OE2 3.36Å; E255-N257 PolarHBondContact O-N 3.46Å; E255-N257 VanDerWaalsContact O-N 3.16Å; E255-S258 PolarHBondContact O-N 3.13Å; E255-Y260 HydrophobicContact CG-CD1 4.17Å
256E95.7Very high97.1Very high142 Ų14245.1 Ų45.166%0.66424%0.238SC*.G310 helixtrans-58-27.5175.863.7178.6-168.700112.9K225 E254K225-E256 IonicContact NZ-OE1 3.3Å; E254-E256 VanDerWaalsContact C-N 3.3Å; E254-E256 HydrophobicContact CB-CG 4.14Å; E254-E256 PolarHBondContact O-N 3.31Å
257N95.7Very high97.3Very high96 Ų9648.4 Ų48.451%0.51325%0.251SS..G310 helixtrans-99.620.4179.2-67.6-52.6000112.1G252 E254 E255 G259G252-N257 CarbonylContact C-O 3.52Å; G252-N257 WeakPolarHBondContact CA-O 3.37Å; G252-N257 CarbonylContact O-C 3.59Å; G252-N257 WeakPolarHBondContact O-CB 3.49Å; E254-N257 CarbonylContact O-C 3.52Å; E254-N257 PolarHBondContact O-N 2.84Å; E255-N257 PolarHBondContact O-N 3.46Å; E255-N257 VanDerWaalsContact O-N 3.16Å; N257-G259 PolarHBondContact O-N 3.46Å
258S97.1Very high97.4Very high37 Ų3751.6 Ų51.626%0.25927%0.266SS..THydrogen-bonded Turntrans65.727.2179.6-55.60000115.6E254 E255 Y260 K261E254-S258 PolarHBondContact O-N 3.45Å; E255-S258 PolarHBondContact O-N 3.13Å; S258-Y260 PolarHBondContact O-N 3.24Å; S258-K261 WeakPolarHBondContact O-CB 3.12Å; S258-K261 PolarHBondContact O-N 3.39Å
259G97.3Very high97.5Very high0 Ų051.6 Ų51.60%027%0.266CS..Hα-helixtrans-51.6-28175.500000115.1P250 L251 G253 E254 N257 K261 G262 Y263P250-G259 VanDerWaalsContact CB-O 3.27Å; P250-G259 WeakPolarHBondContact CB-O 3.23Å; P250-G259 WeakPolarHBondContact CG-O 3.37Å; L251-G259 WeakPolarHBondContact O-CA 3.44Å; G253-G259 WeakPolarHBondContact O-CA 3.22Å; E254-G259 PolarHBondContact O-N 2.91Å; N257-G259 PolarHBondContact O-N 3.46Å; G259-K261 PolarHBondContact O-N 2.99Å; G259-G262 PolarHBondContact O-N 3.07Å; G259-G262 VanDerWaalsContact O-N 3.14Å; G259-Y263 PolarHBondContact O-N 3.07Å
260Y97.8Very high97.5Very high114 Ų11451.2 Ų51.245%0.44726%0.264SS..Hα-helixtrans-60.5-23.6175.663.2-95.8000113.4T174 E255 S258 G264T174-Y260 VanDerWaalsContact OG1-CA 3.28Å; T174-Y260 WeakPolarHBondContact OG1-CA 3.22Å; T174-Y260 PolarHBondContact OG1-N 2.8Å; E255-Y260 HydrophobicContact CG-CD1 4.17Å; S258-Y260 PolarHBondContact O-N 3.24Å; Y260-G264 PolarHBondContact O-N 2.88Å
261K98.5Very high97.5Very high125 Ų12555.5 Ų55.554%0.54329%0.286SS..Hα-helixtrans-70.2-46.8174.1-63-179.6-177.5169.30111S258 G259 Y263 G264 L265S258-K261 WeakPolarHBondContact O-CB 3.12Å; S258-K261 PolarHBondContact O-N 3.39Å; G259-K261 PolarHBondContact O-N 2.99Å; K261-Y263 VanDerWaalsContact C-N 3.29Å; K261-Y263 PolarHBondContact O-N 3.09Å; K261-G264 PolarHBondContact O-N 3.37Å; K261-L265 WeakPolarHBondContact O-CG 3.49Å; K261-L265 PolarHBondContact O-N 2.85Å
262G98.2Very high97.6Very high1 Ų154.5 Ų54.51%0.0128%0.281CS..Hα-helixtrans-62.3-37.6173.600000112.8L251 G259 L265 G266L251-G262 VanDerWaalsContact O-CA 3.29Å; L251-G262 WeakPolarHBondContact O-CA 3.23Å; L251-G262 PolarHBondContact O-N 2.67Å; L251-G262 VanDerWaalsContact O-N 3.16Å; G259-G262 PolarHBondContact O-N 3.07Å; G259-G262 VanDerWaalsContact O-N 3.14Å; G262-L265 PolarHBondContact O-N 3.03Å; G262-G266 PolarHBondContact O-N 2.76Å
263Y98.4Very high97.7Very high64 Ų6453 Ų5325%0.25127%0.266SS..Hα-helixtrans-62.4-48.2173.3170.4-140.5000111.2P173 V181 G259 K261 L265 G266 M267P173-Y263 HydrophobicContact CB-CD2 4.14Å; P173-Y263 HydrophobicContact CB-CE1 4.07Å; P173-Y263 HydrophobicContact CB-CE2 3.67Å; P173-Y263 HydrophobicContact CG-CE2 4.2Å; V181-Y263 HydrophobicContact CG2-CD2 4.09Å; V181-Y263 HydrophobicContact CG2-CE2 3.8Å; G259-Y263 PolarHBondContact O-N 3.07Å; K261-Y263 VanDerWaalsContact C-N 3.29Å; K261-Y263 PolarHBondContact O-N 3.09Å; Y263-L265 VanDerWaalsContact C-N 3.31Å; Y263-L265 PolarHBondContact O-N 2.91Å; Y263-G266 PolarHBondContact O-N 3.42Å; Y263-G266 VanDerWaalsContact O-N 3.08Å; Y263-M267 HydrophobicContact CD2-CG 3.93Å; Y263-M267 HydrophobicContact CD2-SD 4.17Å; Y263-M267 HydrophobicContact CE1-SD 3.92Å; Y263-M267 HydrophobicContact CE2-CG 3.41Å; Y263-M267 VanDerWaalsContact CE2-CG 3.41Å; Y263-M267 HydrophobicContact CE2-SD 3.41Å; Y263-M267 WeakPolarHBondContact CE2-SD 3.42Å; Y263-M267 PolarHBondContact O-N 3.4Å; Y263-M267 PolarHBondContact OH-SD 3.04Å
264G98.7Very high97.8Very high35 Ų3552.7 Ų52.736%0.36126%0.263SS..Hα-helixtrans-57.7-41.3175.300000113Y260 K261 M267 L268Y260-G264 PolarHBondContact O-N 2.88Å; K261-G264 PolarHBondContact O-N 3.37Å; G264-M267 PolarHBondContact O-N 3.2Å; G264-L268 PolarHBondContact O-N 2.96Å
265L98.6Very high97.9Very high60 Ų6055.1 Ų55.131%0.31428%0.276SS..Hα-helixtrans-63-41.5173.5-68.9173.5000112I186 M203 T205 L251 K261 G262 Y263 M267 L268 V269I186-L265 HydrophobicContact CD1-CB 4.13Å; I186-L265 HydrophobicContact CD1-CD2 4.1Å; M203-L265 HydrophobicContact CE-CD1 4.5Å; T205-L265 HydrophobicContact CG2-CB 3.61Å; L251-L265 HydrophobicContact CD2-CD1 4.41Å; K261-L265 WeakPolarHBondContact O-CG 3.49Å; K261-L265 PolarHBondContact O-N 2.85Å; G262-L265 PolarHBondContact O-N 3.03Å; Y263-L265 VanDerWaalsContact C-N 3.31Å; Y263-L265 PolarHBondContact O-N 2.91Å; L265-M267 VanDerWaalsContact C-N 3.32Å; L265-M267 PolarHBondContact O-N 3.25Å; L265-L268 WeakPolarHBondContact O-CB 3.22Å; L265-L268 PolarHBondContact O-N 2.93Å; L265-V269 PolarHBondContact O-N 3.24Å; L265-V269 VanDerWaalsContact O-N 3.16Å
266G98.5Very high98.1Very high0 Ų055.5 Ų55.50%028%0.28CS..Hα-helixtrans-62.3-38.3175.600000112.8N184 T205 G262 Y263 V269 E270N184-G266 PolarHBondContact ND2-O 3Å; T205-G266 WeakPolarHBondContact OG1-CA 3.27Å; G262-G266 PolarHBondContact O-N 2.76Å; Y263-G266 PolarHBondContact O-N 3.42Å; Y263-G266 VanDerWaalsContact O-N 3.08Å; G266-V269 PolarHBondContact O-N 3.15Å; G266-E270 PolarHBondContact O-N 3.33Å; G266-E270 VanDerWaalsContact O-N 3.12Å
267M98.7Very high98.2Very high82 Ų8248.8 Ų48.840%0.40425%0.249SC..Hα-helixtrans-68.1-38.7173.9-68.4-178.870.400112.8Y263 G264 L265 V269 E270 I271Y263-M267 HydrophobicContact CD2-CG 3.93Å; Y263-M267 HydrophobicContact CD2-SD 4.17Å; Y263-M267 HydrophobicContact CE1-SD 3.92Å; Y263-M267 HydrophobicContact CE2-CG 3.41Å; Y263-M267 VanDerWaalsContact CE2-CG 3.41Å; Y263-M267 HydrophobicContact CE2-SD 3.41Å; Y263-M267 WeakPolarHBondContact CE2-SD 3.42Å; Y263-M267 PolarHBondContact O-N 3.4Å; Y263-M267 PolarHBondContact OH-SD 3.04Å; G264-M267 PolarHBondContact O-N 3.2Å; L265-M267 VanDerWaalsContact C-N 3.32Å; L265-M267 PolarHBondContact O-N 3.25Å; M267-V269 PolarHBondContact O-N 3Å; M267-E270 WeakPolarHBondContact O-CB 3.24Å; M267-E270 PolarHBondContact O-N 3.37Å; M267-E270 VanDerWaalsContact O-N 3.14Å; M267-I271 WeakPolarHBondContact O-CG1 3.24Å; M267-I271 PolarHBondContact O-N 3.4Å
268L98.7Very high98.4Very high72 Ų7250.8 Ų50.838%0.37726%0.259SS..Hα-helixtrans-55.3-44.1174.2175.4157.1000110.3G264 L265 I271 L272G264-L268 PolarHBondContact O-N 2.96Å; L265-L268 WeakPolarHBondContact O-CB 3.22Å; L265-L268 PolarHBondContact O-N 2.93Å; L268-I271 PolarHBondContact O-N 2.87Å; L268-L272 HydrophobicContact CD2-CD1 3.6Å; L268-L272 HydrophobicContact CD2-CG 4.26Å; L268-L272 HydrophobicContact CG-CD1 4.33Å; L268-L272 WeakPolarHBondContact O-CG 3.43Å; L268-L272 PolarHBondContact O-N 3.46Å
269V98.8Very high98.4Very high0 Ų049.3 Ų49.30%025%0.249CC..Hα-helixtrans-67-40.2176.8175.70000111.8F164 T165 N184 I186 L265 G266 M267 I271 L272 C273F164-V269 HydrophobicContact CB-CG1 4.3Å; F164-V269 HydrophobicContact CD1-CG2 4.1Å; T165-V269 WeakPolarHBondContact O-CG1 3.36Å; N184-V269 HydrophobicContact CB-CB 3.81Å; N184-V269 HydrophobicContact CB-CG1 3.7Å; N184-V269 HydrophobicContact CB-CG2 4.36Å; I186-V269 HydrophobicContact CD1-CG2 3.98Å; I186-V269 HydrophobicContact CG1-CG2 3.51Å; L265-V269 PolarHBondContact O-N 3.24Å; L265-V269 VanDerWaalsContact O-N 3.16Å; G266-V269 PolarHBondContact O-N 3.15Å; M267-V269 PolarHBondContact O-N 3Å; V269-I271 VanDerWaalsContact C-N 3.26Å; V269-I271 PolarHBondContact O-N 2.86Å; V269-L272 PolarHBondContact O-N 3.36Å; V269-C273 WeakPolarHBondContact O-CB 3.41Å; V269-C273 PolarHBondContact O-N 3.36Å; V269-C273 PolarHBondContact O-SG 3.32Å
270E98.3Very high98.5Very high13 Ų1350.2 Ų50.26%0.06126%0.257CS..Hα-helixtrans-56.9-41.2173-69.8-63.8164.100112.1N166 N184 G266 M267 G274 I275 F281 G282N166-E270 WeakPolarHBondContact CB-OE2 3.16Å; N166-E270 PolarHBondContact ND2-OE2 3.05Å; N184-E270 WeakPolarHBondContact ND2-CG 3.41Å; N184-E270 PolarHBondContact ND2-OE1 3.15Å; G266-E270 PolarHBondContact O-N 3.33Å; G266-E270 VanDerWaalsContact O-N 3.12Å; M267-E270 WeakPolarHBondContact O-CB 3.24Å; M267-E270 PolarHBondContact O-N 3.37Å; M267-E270 VanDerWaalsContact O-N 3.14Å; E270-G274 WeakPolarHBondContact O-CA 3.24Å; E270-G274 PolarHBondContact O-N 2.95Å; E270-I275 PolarHBondContact O-N 2.94Å; E270-F281 WeakPolarHBondContact OE2-CA 3.47Å; E270-F281 WeakPolarHBondContact OE2-CB 3.2Å; E270-G282 PolarHBondContact OE2-N 2.83Å
271I98.7Very high98.5Very high90 Ų9049.2 Ų49.246%0.46226%0.255SS..Iπ-helixtrans-65.8-50.2178.9-67.6165.2000110.5M267 L268 V269 C273 I275 I276M267-I271 WeakPolarHBondContact O-CG1 3.24Å; M267-I271 PolarHBondContact O-N 3.4Å; L268-I271 PolarHBondContact O-N 2.87Å; V269-I271 VanDerWaalsContact C-N 3.26Å; V269-I271 PolarHBondContact O-N 2.86Å; I271-C273 PolarHBondContact O-N 3.5Å; I271-I275 HydrophobicContact CG1-CD1 3.96Å; I271-I276 WeakPolarHBondContact O-CB 3.36Å; I271-I276 WeakPolarHBondContact O-CG2 3.33Å; I271-I276 PolarHBondContact O-N 2.85Å; I271-I276 VanDerWaalsContact O-N 3.09Å
272L98.7Very high98.4Very high49 Ų4943.6 Ų43.626%0.25723%0.232SC..Iπ-helixtrans-73-15.5-177.8-66.3-174.7000113.5F135 L268 V269 I276 S300F135-L272 HydrophobicContact CZ-CD2 4.48Å; L268-L272 HydrophobicContact CD2-CD1 3.6Å; L268-L272 HydrophobicContact CD2-CG 4.26Å; L268-L272 HydrophobicContact CG-CD1 4.33Å; L268-L272 WeakPolarHBondContact O-CG 3.43Å; L268-L272 PolarHBondContact O-N 3.46Å; V269-L272 PolarHBondContact O-N 3.36Å; L272-I276 VanDerWaalsContact C-CG2 3.4Å; L272-I276 WeakPolarHBondContact O-CG2 3.37Å; L272-S300 VanDerWaalsContact O-CB 3.29Å; L272-S300 WeakPolarHBondContact O-CB 3.46Å; L272-S300 PolarHBondContact O-OG 2.9Å
273C98.7Very high98.3Very high0 Ų047.6 Ų47.60%026%0.258CS..Iπ-helixtrans-114.4-70.4-177.1-68.70000111.5F164 N166 V269 I271 A277 G298F164-C273 VanDerWaalsContact C-SG 3.51Å; F164-C273 WeakPolarHBondContact CB-SG 3.33Å; N166-C273 HydrophobicContact CB-CB 4.3Å; V269-C273 WeakPolarHBondContact O-CB 3.41Å; V269-C273 PolarHBondContact O-N 3.36Å; V269-C273 PolarHBondContact O-SG 3.32Å; I271-C273 PolarHBondContact O-N 3.5Å; C273-A277 WeakPolarHBondContact O-CB 3.46Å; C273-A277 PolarHBondContact O-N 3.41Å; C273-G298 VanDerWaalsContact CB-O 3.31Å; C273-G298 WeakPolarHBondContact CB-O 3.41Å
274G98.4Very high98.3Very high0 Ų049.1 Ų49.10%027%0.271CS..Iπ-helixtrans-69.3-54.1-173.500000112.4N166 E270 D278 A279N166-G274 WeakPolarHBondContact ND2-CA 3.37Å; E270-G274 WeakPolarHBondContact O-CA 3.24Å; E270-G274 PolarHBondContact O-N 2.95Å; G274-D278 PolarHBondContact O-N 3Å; G274-A279 PolarHBondContact O-N 3.41Å
275I98.4Very high98.2Very high94 Ų9447.7 Ų47.748%0.48226%0.255SS..Iπ-helixtrans-70-48.6-171.1-62.7170.6000111.3E270 I271 A277 D278 F281E270-I275 PolarHBondContact O-N 2.94Å; I271-I275 HydrophobicContact CG1-CD1 3.96Å; I275-A277 VanDerWaalsContact C-N 3.28Å; I275-A277 PolarHBondContact O-N 3.06Å; I275-D278 PolarHBondContact O-N 3.28Å; I275-F281 HydrophobicContact CG1-CB 4.32Å; I275-F281 HydrophobicContact CG1-CD1 4.08Å; I275-F281 HydrophobicContact CG1-CD2 4.45Å; I275-F281 HydrophobicContact CG1-CG 4.04Å
276I98.5Very high98.1Very high92 Ų9245.7 Ų45.747%0.47224%0.243SC..Hα-helixtrans-67.7-28.2-176.6-162170.4000113.1F135 A137 I271 L272F135-I276 HydrophobicContact CE1-CD1 4.11Å; F135-I276 HydrophobicContact CZ-CD1 4.5Å; A137-I276 HydrophobicContact CB-CG2 4.09Å; I271-I276 WeakPolarHBondContact O-CB 3.36Å; I271-I276 WeakPolarHBondContact O-CG2 3.33Å; I271-I276 PolarHBondContact O-N 2.85Å; I271-I276 VanDerWaalsContact O-N 3.09Å; L272-I276 VanDerWaalsContact C-CG2 3.4Å; L272-I276 WeakPolarHBondContact O-CG2 3.37Å
277A98.4Very high97.9Very high1 Ų155.2 Ų55.21%0.00828%0.279CS..Hα-helixtrans-92.8-5.6-175.800000113.8L105 A137 A138 F139 C273 I275 A279L105-A277 HydrophobicContact CD1-CB 4.05Å; A137-A277 HydrophobicContact CB-CB 4.08Å; A138-A277 WeakPolarHBondContact O-CB 3.36Å; F139-A277 HydrophobicContact CB-CB 3.95Å; F139-A277 WeakPolarHBondContact CB-O 3.27Å; F139-A277 WeakPolarHBondContact CD1-O 3.44Å; F139-A277 VanDerWaalsContact CG-O 3.28Å; F139-A277 WeakPolarHBondContact CG-O 3.46Å; C273-A277 WeakPolarHBondContact O-CB 3.46Å; C273-A277 PolarHBondContact O-N 3.41Å; I275-A277 VanDerWaalsContact C-N 3.28Å; I275-A277 PolarHBondContact O-N 3.06Å; A277-A279 VanDerWaalsContact C-N 3.34Å
278D98.2Very high97.6Very high137 Ų13754.1 Ų54.173%0.73327%0.27SS*.THydrogen-bonded Turntrans63.137.6-168.3-163.834.8000113.2G274 I275G274-D278 PolarHBondContact O-N 3Å; I275-D278 PolarHBondContact O-N 3.28Å
279A98.6Very high97.2Very high7 Ų755.4 Ų55.46%0.05828%0.277CS..  trans-95.5172.6173.600000111.5F139 G274 A277 N296 G298F139-A279 HydrophobicContact CB-CB 3.79Å; G274-A279 PolarHBondContact O-N 3.41Å; A277-A279 VanDerWaalsContact C-N 3.34Å; A279-N296 WeakPolarHBondContact CB-O 3.34Å; A279-G298 VanDerWaalsContact CB-CA 3.47Å; A279-G298 VanDerWaalsContact CB-N 3.34Å
280A98.4Very high97Very high19 Ų1956.8 Ų56.816%0.15729%0.287CS..  trans-65.8141.5169.400000109.9N166 I285 N296N166-A280 PolarHBondContact ND2-O 3.44Å; A280-I285 HydrophobicContact CB-CB 4.48Å; A280-I285 HydrophobicContact CB-CG1 3.81Å; A280-I285 WeakPolarHBondContact O-CG1 3.42Å; A280-N296 HydrophobicContact CB-CB 4.21Å; A280-N296 WeakPolarHBondContact CB-O 3.45Å; A280-N296 PolarHBondContact N-ND2 3Å; A280-N296 PolarHBondContact N-O 3.45Å
281F97.9Very high96.9Very high93 Ų9358.5 Ų58.541%0.40830%0.298SS..  trans-135.3151.1-18058-95.1000112E270 I275 N284E270-F281 WeakPolarHBondContact OE2-CA 3.47Å; E270-F281 WeakPolarHBondContact OE2-CB 3.2Å; I275-F281 HydrophobicContact CG1-CB 4.32Å; I275-F281 HydrophobicContact CG1-CD1 4.08Å; I275-F281 HydrophobicContact CG1-CD2 4.45Å; I275-F281 HydrophobicContact CG1-CG 4.04Å; F281-N284 WeakPolarHBondContact O-CB 3.5Å; F281-N284 PolarHBondContact O-N 3.27Å; F281-N284 VanDerWaalsContact O-N 3.15Å
282G97.2Very high96.8Very high6 Ų659.8 Ų59.86%0.06231%0.306CS..G310 helixtrans51-132.3175.800000114.3A180 E270 N284 I285A180-G282 CarbonylContact O-C 3.46Å; A180-G282 WeakPolarHBondContact O-CA 3.48Å; E270-G282 PolarHBondContact OE2-N 2.83Å; G282-N284 PolarHBondContact O-N 3.21Å; G282-I285 PolarHBondContact O-N 3.09Å
283P96.1Very high96.7Very high86 Ų8661.9 Ų61.956%0.55831%0.313SS*.G310 helixtrans-62.4-12.7-179.2-22.733.2000115.8A180A180-P283 HydrophobicContact CB-CG 3.7Å
284N96.9Very high96.6Very high95 Ų9565 Ų6551%0.50833%0.334SS..G310 helixtrans-81.9-18-177.5-60-49.4000112.7F281 G282 K293F281-N284 WeakPolarHBondContact O-CB 3.5Å; F281-N284 PolarHBondContact O-N 3.27Å; F281-N284 VanDerWaalsContact O-N 3.15Å; G282-N284 PolarHBondContact O-N 3.21Å; N284-K293 PolarHBondContact O-NZ 3.04Å
285I97.8Very high96.5Very high5 Ų565.2 Ų65.23%0.02634%0.335CS..SBendtrans-66.3142.5175.1-56.1168.5000109.2N166 T167 A280 G282 L297N166-I285 HydrophobicContact CB-CD1 4.35Å; T167-I285 WeakPolarHBondContact O-CD1 3.25Å; A280-I285 HydrophobicContact CB-CB 4.48Å; A280-I285 HydrophobicContact CB-CG1 3.81Å; A280-I285 WeakPolarHBondContact O-CG1 3.42Å; G282-I285 PolarHBondContact O-N 3.09Å; I285-L297 HydrophobicContact CD1-CD2 4.41Å; I285-L297 HydrophobicContact CG2-CD2 3.5Å
286R95.8Very high96.5Very high18 Ų1863.2 Ų63.27%0.06833%0.325CS..PPolyproline II helixtrans-55152.7175.578-179.2174.1142-10.9111.2D82 S168 S290 K293 A295D82-R286 IonicContact OD1-CZ 2.63Å; D82-R286 IonicContact OD1-NH1 3.61Å; D82-R286 PolarHBondContact OD1-NH1 2.85Å; D82-R286 IonicContact OD1-NH2 2.74Å; D82-R286 PolarHBondContact OD1-NH2 2.84Å; D82-R286 IonicContact OD2-CZ 2.78Å; D82-R286 IonicContact OD2-NH1 3.81Å; D82-R286 IonicContact OD2-NH2 3.56Å; D82-R286 PolarHBondContact OD2-NH2 3.18Å; S168-R286 VanDerWaalsContact CB-O 3.28Å; S168-R286 WeakPolarHBondContact CB-O 3.5Å; S168-R286 PolarHBondContact OG-O 2.83Å; R286-S290 WeakPolarHBondContact CD-O 3.43Å; R286-S290 PolarHBondContact NH1-O 2.78Å; R286-K293 HydrophobicContact CB-CG 3.99Å; R286-K293 WeakPolarHBondContact CD-O 3.38Å; R286-A295 HydrophobicContact CG-CB 4.32Å; R286-A295 VanDerWaalsContact NE-CB 3.34Å
287R94.7Very high96.5Very high201 Ų20159.1 Ų59.176%0.75830%0.304SS*.PPolyproline II helixtrans-66.9151.8178.6-68.9-176.1179.8175.82.3110.2L289 S290R287-L289 PolarHBondContact O-N 3.3Å; R287-S290 PolarHBondContact N-OG 2.65Å; R287-S290 PolarHBondContact O-N 2.84Å; R287-S290 PolarHBondContact O-OG 3.04Å
288W92Very high96.5Very high58 Ų5859.1 Ų59.122%0.2230%0.304CS..THydrogen-bonded Turntrans-56.3130.3176.4-176.1-114.7000110.4M78 H143 S168 L170 S290M78-W288 HydrophobicContact CE-CH2 4.17Å; M78-W288 HydrophobicContact SD-CH2 3.53Å; M78-W288 VanDerWaalsContact SD-CH2 3.53Å; M78-W288 HydrophobicContact SD-CZ2 3.74Å; M78-W288 HydrophobicContact SD-CZ3 4.2Å; H143-W288 AromaticContact CD2-CH2 3.8Å; H143-W288 AromaticContact CD2-CZ3 3.82Å; S168-W288 PolarHBondContact OG-N 3.38Å; L170-W288 HydrophobicContact CD2-CB 4.06Å; L170-W288 HydrophobicContact CD2-CG 4.49Å; W288-S290 PolarHBondContact O-N 3.26Å
289L91.4Very high96.6Very high100 Ų10052.6 Ų52.652%0.52427%0.269SS..THydrogen-bonded Turntrans64.90.5-175-51.3171.8000116.4M78 R287M78-L289 HydrophobicContact CB-CD2 4.41Å; M78-L289 HydrophobicContact CG-CD2 3.84Å; M78-L289 HydrophobicContact SD-CD2 3.88Å; R287-L289 PolarHBondContact O-N 3.3Å
290S94.7Very high96.6Very high29 Ų2952.2 Ų52.220%0.20327%0.266CS..  trans-77.4139.9174.878.90000110.6R286 R287 W288 D292R286-S290 WeakPolarHBondContact CD-O 3.43Å; R286-S290 PolarHBondContact NH1-O 2.78Å; R287-S290 PolarHBondContact N-OG 2.65Å; R287-S290 PolarHBondContact O-N 2.84Å; R287-S290 PolarHBondContact O-OG 3.04Å; W288-S290 PolarHBondContact O-N 3.26Å; S290-D292 WeakPolarHBondContact CB-OD1 3.41Å; S290-D292 PolarHBondContact OG-OD1 3.29Å
291T95.9Very high96.6Very high49 Ų4951.3 Ų51.330%0.30126%0.259SS..  trans-115.928.7179.449.30000111.6D82 K85 V87D82-T291 WeakPolarHBondContact OD1-CG2 3.28Å; K85-T291 HydrophobicContact CB-CG2 4.15Å; K85-T291 HydrophobicContact CG-CG2 4.05Å; V87-T291 WeakPolarHBondContact CG1-O 3.41Å; V87-T291 HydrophobicContact CG2-CG2 3.95Å
292D95.6Very high96.6Very high117 Ų11748.3 Ų48.363%0.62625%0.247SC*.SBendtrans-77.7-22.6-177.261.1-43.6000113.6S290S290-D292 WeakPolarHBondContact CB-OD1 3.41Å; S290-D292 PolarHBondContact OG-OD1 3.29Å
293K96.4Very high96.7Very high92 Ų9248 Ų4840%0.424%0.244SC..SBendtrans-158.3163.8176.260.7-179.2-174.5172.10110.2N284 R286N284-K293 PolarHBondContact O-NZ 3.04Å; R286-K293 HydrophobicContact CB-CG 3.99Å; R286-K293 WeakPolarHBondContact CD-O 3.38Å
294P96.4Very high96.9Very high67 Ų6745.3 Ų45.344%0.43523%0.225SC..  trans-55.4149.6168.4-26.536.3000112.5
295A97.2Very high96.9Very high4 Ų442.2 Ų42.23%0.03321%0.208CC..  trans-69.4-41.5-17900000112.5N142 R286 L297N142-A295 WeakPolarHBondContact OD1-CB 3.44Å; R286-A295 HydrophobicContact CG-CB 4.32Å; R286-A295 VanDerWaalsContact NE-CB 3.34Å; A295-L297 VanDerWaalsContact C-N 3.34Å; A295-L297 HydrophobicContact CB-CD2 4.14Å; A295-L297 HydrophobicContact CB-CG 3.83Å; A295-L297 PolarHBondContact O-N 3.3Å
296N98.4Very high97Very high52 Ų5242.1 Ų42.128%0.27821%0.208SC..  trans47.353.2-170.9-170.226.4000112.2G140 A279 A280G140-N296 VanDerWaalsContact CA-OD1 3.27Å; G140-N296 WeakPolarHBondContact CA-OD1 3.33Å; G140-N296 PolarHBondContact N-OD1 3.49Å; A279-N296 WeakPolarHBondContact CB-O 3.34Å; A280-N296 HydrophobicContact CB-CB 4.21Å; A280-N296 WeakPolarHBondContact CB-O 3.45Å; A280-N296 PolarHBondContact N-ND2 3Å; A280-N296 PolarHBondContact N-O 3.45Å
297L98.8Very high97.1Very high6 Ų648.9 Ų48.93%0.03124%0.238CC..EExtended strand (participates in β ladder)trans-73.9145.3178.3-59-173.4000110.8S141 I285 A295S141-L297 WeakPolarHBondContact CB-O 3.42Å; S141-L297 PolarHBondContact N-O 3.44Å; S141-L297 PolarHBondContact O-N 3.25Å; I285-L297 HydrophobicContact CD1-CD2 4.41Å; I285-L297 HydrophobicContact CG2-CD2 3.5Å; A295-L297 VanDerWaalsContact C-N 3.34Å; A295-L297 HydrophobicContact CB-CD2 4.14Å; A295-L297 HydrophobicContact CB-CG 3.83Å; A295-L297 PolarHBondContact O-N 3.3Å
298G98.8Very high97.2Very high0 Ų042.2 Ų42.20%023%0.225CC..EExtended strand (participates in β ladder)trans-93.1143.3169.900000110.4A138 T165 N166 C273 A279A138-G298 CarbonylContact O-C 3.56Å; A138-G298 VanDerWaalsContact O-CA 3.29Å; A138-G298 WeakPolarHBondContact O-CA 3.46Å; T165-G298 PolarHBondContact OG1-O 3.34Å; N166-G298 PolarHBondContact N-O 2.92Å; N166-G298 VanDerWaalsContact N-O 3.15Å; N166-G298 PolarHBondContact OD1-N 2.61Å; N166-G298 PolarHBondContact OD1-O 3.09Å; C273-G298 VanDerWaalsContact CB-O 3.31Å; C273-G298 WeakPolarHBondContact CB-O 3.41Å; A279-G298 VanDerWaalsContact CB-CA 3.47Å; A279-G298 VanDerWaalsContact CB-N 3.34Å
299Q98.9Very high97.5Very high0 Ų045.9 Ų45.90%024%0.243CC..EExtended strand (participates in β ladder)trans-139.3149.5178.1-75.21571.400109.9A137 A138 S141 N142 F144 F164 T165 F301A137-Q299 CarbonylContact C-O 3.59Å; A137-Q299 WeakPolarHBondContact CA-O 3.48Å; A138-Q299 HydrophobicContact CB-CB 4.38Å; A138-Q299 PolarHBondContact N-O 3.12Å; A138-Q299 PolarHBondContact O-N 2.91Å; S141-Q299 PolarHBondContact OG-NE2 3.26Å; S141-Q299 PolarHBondContact OG-OE1 3.13Å; N142-Q299 PolarHBondContact O-NE2 2.81Å; F144-Q299 VanDerWaalsContact CD2-CD 3.45Å; F144-Q299 HydrophobicContact CD2-CG 3.74Å; F144-Q299 HydrophobicContact CE2-CG 3.9Å; F164-Q299 WeakPolarHBondContact O-CA 3.43Å; T165-Q299 VanDerWaalsContact OG1-CG 3.3Å; T165-Q299 WeakPolarHBondContact OG1-CG 3.39Å; Q299-F301 HydrophobicContact CB-CE2 3.62Å; Q299-F301 HydrophobicContact CB-CZ 3.81Å; Q299-F301 HydrophobicContact CG-CZ 4.45Å
300S98.9Very high97.8Very high0 Ų043.9 Ų43.90%024%0.241CC..EExtended strand (participates in β ladder)trans-140.5146.3175.6-820000112.4F135 V136 A163 F164 L272F135-S300 WeakPolarHBondContact CZ-OG 3.43Å; V136-S300 CarbonylContact O-C 3.55Å; V136-S300 VanDerWaalsContact O-CA 3.29Å; V136-S300 WeakPolarHBondContact O-CA 3.37Å; A163-S300 CarbonylContact C-O 3.53Å; A163-S300 WeakPolarHBondContact CA-O 3.43Å; F164-S300 PolarHBondContact N-O 3.03Å; F164-S300 PolarHBondContact O-N 3.39Å; L272-S300 VanDerWaalsContact O-CB 3.29Å; L272-S300 WeakPolarHBondContact O-CB 3.46Å; L272-S300 PolarHBondContact O-OG 2.9Å
301F99Very high98Very high0 Ų047.9 Ų47.90%027%0.266CS..EExtended strand (participates in β ladder)trans-137.3131.2-171.6-53.7-86.7000109.2G117 M121 A124 F135 V136 F144 Y150 L162 A163 Q299G117-F301 VanDerWaalsContact CA-CZ 3.47Å; M121-F301 HydrophobicContact CB-CD1 4.03Å; M121-F301 HydrophobicContact CB-CG 4.39Å; M121-F301 HydrophobicContact SD-CB 3.92Å; M121-F301 HydrophobicContact SD-CD1 4.1Å; M121-F301 HydrophobicContact SD-CG 4.44Å; A124-F301 HydrophobicContact CB-CB 4.42Å; F135-F301 WeakPolarHBondContact CA-O 3.3Å; V136-F301 PolarHBondContact N-O 2.68Å; V136-F301 PolarHBondContact O-N 2.85Å; F144-F301 HydrophobicContact CD2-CZ 4.38Å; F144-F301 HydrophobicContact CE2-CE1 4.4Å; F144-F301 HydrophobicContact CE2-CZ 4.32Å; Y150-F301 AromaticContact CD1-CE1 3.95Å; Y150-F301 HydrophobicContact CD1-CE1 3.95Å; Y150-F301 AromaticContact CD2-CE1 3.86Å; Y150-F301 HydrophobicContact CD2-CE1 3.86Å; Y150-F301 HydrophobicContact CG-CD1 4.18Å; Y150-F301 AromaticContact CG-CE1 3.54Å; Y150-F301 HydrophobicContact CG-CE1 3.54Å; L162-F301 WeakPolarHBondContact O-CA 3.46Å; A163-F301 HydrophobicContact CB-CD1 3.86Å; A163-F301 HydrophobicContact CB-CE1 4.07Å; Q299-F301 HydrophobicContact CB-CE2 3.62Å; Q299-F301 HydrophobicContact CB-CZ 3.81Å; Q299-F301 HydrophobicContact CG-CZ 4.45Å
302L98.9Very high98.1Very high30 Ų3047 Ų4716%0.15727%0.267CS..EExtended strand (participates in β ladder)trans-125.6127.9178.6-175.958.6000108.7I133 A134 F135 G161 L162 I304I133-L302 HydrophobicContact CD1-CD1 4.02Å; I133-L302 HydrophobicContact CG1-CD1 3.75Å; A134-L302 WeakPolarHBondContact O-CA 3.35Å; A134-L302 WeakPolarHBondContact O-CD1 3.29Å; F135-L302 HydrophobicContact CB-CD1 4.15Å; F135-L302 HydrophobicContact CD2-CD1 4.38Å; G161-L302 CarbonylContact C-O 3.55Å; G161-L302 WeakPolarHBondContact CA-O 3.08Å; L162-L302 HydrophobicContact CB-CB 4.16Å; L162-L302 HydrophobicContact CD1-CB 4.35Å; L162-L302 HydrophobicContact CD1-CD2 4.12Å; L162-L302 HydrophobicContact CD1-CG 4.35Å; L162-L302 PolarHBondContact N-O 3.17Å; L162-L302 PolarHBondContact O-N 3.49Å; L302-I304 HydrophobicContact CD1-CG1 4.33Å; L302-I304 HydrophobicContact CD2-CD1 3.96Å; L302-I304 HydrophobicContact CD2-CG1 4.23Å; L302-I304 HydrophobicContact CG-CD1 4.17Å; L302-I304 HydrophobicContact CG-CG1 3.89Å
303A98.9Very high98.2Very high0 Ų043.8 Ų43.80%025%0.248CC..EExtended strand (participates in β ladder)trans-115.7133.4168.500000108.6M121 A124 I125 A128 I133 A134 L159 I160M121-A303 HydrophobicContact CE-CB 3.75Å; A124-A303 HydrophobicContact CB-CB 4.06Å; I125-A303 HydrophobicContact CG1-CB 4.42Å; A128-A303 HydrophobicContact CB-CB 3.57Å; A128-A303 WeakPolarHBondContact CB-O 3.26Å; I133-A303 CarbonylContact C-O 3.34Å; I133-A303 WeakPolarHBondContact CA-O 3.16Å; A134-A303 PolarHBondContact N-O 2.99Å; A134-A303 PolarHBondContact O-N 3.5Å; L159-A303 HydrophobicContact CD1-CB 4.17Å; I160-A303 CarbonylContact O-C 3.04Å; I160-A303 WeakPolarHBondContact O-CA 3.49Å
304I98.9Very high98.3Very high29 Ų2942.1 Ų42.115%0.14924%0.241CC..EExtended strand (participates in β ladder)trans-130124.4-179.8-46.3175.1000108.1I133 I160 L162 L302 P306 F309I133-I304 HydrophobicContact CD1-CD1 4.47Å; I133-I304 HydrophobicContact CD1-CG1 4.12Å; I133-I304 HydrophobicContact CG1-CG1 4.14Å; I160-I304 HydrophobicContact CB-CB 4.17Å; I160-I304 PolarHBondContact N-O 3Å; I160-I304 PolarHBondContact O-N 3.27Å; L162-I304 HydrophobicContact CD1-CD1 4.22Å; L302-I304 HydrophobicContact CD1-CG1 4.33Å; L302-I304 HydrophobicContact CD2-CD1 3.96Å; L302-I304 HydrophobicContact CD2-CG1 4.23Å; L302-I304 HydrophobicContact CG-CD1 4.17Å; L302-I304 HydrophobicContact CG-CG1 3.89Å; I304-P306 VanDerWaalsContact O-CD 3.27Å; I304-P306 WeakPolarHBondContact O-CD 3.41Å; I304-F309 HydrophobicContact CG2-CD2 4.49Å; I304-F309 HydrophobicContact CG2-CE2 3.55Å; I304-F309 HydrophobicContact CG2-CZ 4.21Å
305D98.7Very high98.4Very high30 Ų3043.8 Ų43.816%0.1624%0.243CC..  trans-80.1111.6172-174.1-7000109.6G132 L159 K307 A308G132-D305 PolarHBondContact O-N 3.5Å; L159-D305 HydrophobicContact CD2-CB 3.73Å; D305-K307 PolarHBondContact O-N 2.81Å; D305-K307 VanDerWaalsContact O-N 3.12Å; D305-K307 VanDerWaalsContact OD1-CB 3.23Å; D305-K307 WeakPolarHBondContact OD1-CB 3.47Å; D305-K307 WeakPolarHBondContact OD1-CG 3.43Å; D305-K307 PolarHBondContact OD1-N 3.33Å; D305-A308 WeakPolarHBondContact O-CB 3.31Å; D305-A308 PolarHBondContact O-N 3.33Å; D305-A308 VanDerWaalsContact O-N 3.1Å
306P98.7Very high98.5Very high3 Ų349.1 Ų49.12%0.01926%0.263CS..G310 helixtrans-60.1-22.5177.425.2-33.6000112.9G158 I160 P191 I304 A308 F309 F313G158-P306 WeakPolarHBondContact O-CD 3.26Å; I160-P306 HydrophobicContact CD1-CB 4.49Å; P191-P306 HydrophobicContact CG-CG 4.48Å; I304-P306 VanDerWaalsContact O-CD 3.27Å; I304-P306 WeakPolarHBondContact O-CD 3.41Å; P306-A308 PolarHBondContact O-N 2.79Å; P306-F309 PolarHBondContact O-N 3.28Å; P306-F313 HydrophobicContact CB-CB 3.77Å; P306-F313 HydrophobicContact CB-CD1 3.71Å; P306-F313 HydrophobicContact CB-CD2 3.99Å; P306-F313 HydrophobicContact CB-CE1 4.34Å; P306-F313 HydrophobicContact CB-CG 3.53Å; P306-F313 HydrophobicContact CG-CD1 4.21Å; P306-F313 HydrophobicContact CG-CG 4.47Å
307K97.9Very high98.5Very high160 Ų16047.7 Ų47.770%0.69626%0.255SS*.G310 helixtrans-73.1-14.9179-59.3168.8-174.7164.60113.3D305 F309D305-K307 PolarHBondContact O-N 2.81Å; D305-K307 VanDerWaalsContact O-N 3.12Å; D305-K307 VanDerWaalsContact OD1-CB 3.23Å; D305-K307 WeakPolarHBondContact OD1-CB 3.47Å; D305-K307 WeakPolarHBondContact OD1-CG 3.43Å; D305-K307 PolarHBondContact OD1-N 3.33Å; K307-F309 PolarHBondContact O-N 2.85Å
308A98Very high98.5Very high60 Ų6047.8 Ų47.850%0.49626%0.256SS..G310 helixtrans-71.7-7.2170.800000112.9D305 P306D305-A308 WeakPolarHBondContact O-CB 3.31Å; D305-A308 PolarHBondContact O-N 3.33Å; D305-A308 VanDerWaalsContact O-N 3.1Å; P306-A308 PolarHBondContact O-N 2.79Å
309F97.6Very high98.5Very high135 Ų13552.4 Ų52.459%0.59228%0.278SS*.SBendtrans-121.4-154.5-177.7-55.1-85.6000111.5I304 P306 K307I304-F309 HydrophobicContact CG2-CD2 4.49Å; I304-F309 HydrophobicContact CG2-CE2 3.55Å; I304-F309 HydrophobicContact CG2-CZ 4.21Å; P306-F309 PolarHBondContact O-N 3.28Å; K307-F309 PolarHBondContact O-N 2.85Å
310A97.9Very high98.5Very high58 Ų5858.4 Ų58.448%0.47930%0.301SS..SBendtrans-64.2132.5-177.700000112R316A310-R316 PolarHBondContact O-NH2 2.81Å
311P97.6Very high98.5Very high113 Ų11358.5 Ų58.573%0.73430%0.302SS*.SBendtrans-61.9158.4-178.227.7-36.3000112.1R316P311-R316 PolarHBondContact O-NH1 3.19Å; P311-R316 PolarHBondContact O-NH2 3.34Å; P311-R316 VanDerWaalsContact O-NH2 3.13Å
312G97.9Very high98.4Very high32 Ų3261.2 Ų61.233%0.3332%0.316SS..  trans77.431178.100000114.2R316G312-R316 PolarHBondContact O-N 3.37Å
313F98.7Very high98.4Very high48 Ų4864.6 Ų64.621%0.21133%0.333CS..Hα-helixtrans-58.6-51.6178.5174.8-89.2000111.9I160 A190 P191 P306 Q315 R316 L317I160-F313 HydrophobicContact CD1-CE1 4.24Å; I160-F313 HydrophobicContact CD1-CE2 3.73Å; I160-F313 HydrophobicContact CD1-CZ 3.53Å; I160-F313 HydrophobicContact CG1-CE1 4.23Å; I160-F313 HydrophobicContact CG1-CZ 3.92Å; A190-F313 HydrophobicContact CB-CE1 4.27Å; A190-F313 HydrophobicContact CB-CZ 4.12Å; P191-F313 HydrophobicContact CG-CD1 4.38Å; P191-F313 HydrophobicContact CG-CE1 4.14Å; P306-F313 HydrophobicContact CB-CB 3.77Å; P306-F313 HydrophobicContact CB-CD1 3.71Å; P306-F313 HydrophobicContact CB-CD2 3.99Å; P306-F313 HydrophobicContact CB-CE1 4.34Å; P306-F313 HydrophobicContact CB-CG 3.53Å; P306-F313 HydrophobicContact CG-CD1 4.21Å; P306-F313 HydrophobicContact CG-CG 4.47Å; F313-Q315 VanDerWaalsContact C-N 3.27Å; F313-Q315 PolarHBondContact O-N 3.41Å; F313-R316 PolarHBondContact O-N 3Å; F313-R316 VanDerWaalsContact O-N 3.12Å; F313-L317 HydrophobicContact CE1-CB 4.4Å; F313-L317 HydrophobicContact CE1-CD2 4.08Å; F313-L317 HydrophobicContact CZ-CD2 4.38Å; F313-L317 PolarHBondContact O-N 2.99Å
314E98.6Very high98.4Very high58 Ų5867.2 Ų67.227%0.27135%0.346SS..Hα-helixtrans-63.1-36.6-174.6-6088.7159.400111.4P191 K193 S318P191-E314 HydrophobicContact CB-CG 4.24Å; P191-E314 HydrophobicContact CG-CG 4.32Å; K193-E314 PolarHBondContact N-O 3.47Å; E314-S318 WeakPolarHBondContact O-CB 3.32Å; E314-S318 PolarHBondContact O-N 2.7Å; E314-S318 PolarHBondContact O-OG 3.07Å
315Q98.6Very high98.3Very high102 Ų10268 Ų6848%0.47735%0.347SS..Hα-helixtrans-64.3-49.5174.1176.5171.6-8.100111.4F313 L317 S318 E319F313-Q315 VanDerWaalsContact C-N 3.27Å; F313-Q315 PolarHBondContact O-N 3.41Å; Q315-L317 VanDerWaalsContact C-N 3.3Å; Q315-L317 PolarHBondContact O-N 3.08Å; Q315-S318 WeakPolarHBondContact O-CB 3.31Å; Q315-S318 PolarHBondContact O-N 2.96Å; Q315-E319 VanDerWaalsContact CG-OE1 3.26Å; Q315-E319 WeakPolarHBondContact CG-OE1 3.31Å; Q315-E319 PolarHBondContact NE2-OE1 3.47Å; Q315-E319 WeakPolarHBondContact O-CG 3.5Å; Q315-E319 PolarHBondContact O-N 3.08Å
316R98.6Very high98.3Very high116 Ų11672.8 Ų72.844%0.43837%0.373SS..Hα-helixtrans-63.9-36.5178.5-74.4-170.6-63.5-84.5-3.2112.2A310 P311 G312 F313 E319 Y320A310-R316 PolarHBondContact O-NH2 2.81Å; P311-R316 PolarHBondContact O-NH1 3.19Å; P311-R316 PolarHBondContact O-NH2 3.34Å; P311-R316 VanDerWaalsContact O-NH2 3.13Å; G312-R316 PolarHBondContact O-N 3.37Å; F313-R316 PolarHBondContact O-N 3Å; F313-R316 VanDerWaalsContact O-N 3.12Å; R316-E319 PolarHBondContact O-N 3.19Å; R316-Y320 VanDerWaalsContact O-CB 3.31Å; R316-Y320 WeakPolarHBondContact O-CB 3.35Å; R316-Y320 PolarHBondContact O-N 3.44Å
317L98.7Very high98.2Very high22 Ų2276.4 Ų76.412%0.11539%0.392CS..Hα-helixtrans-65.8-46.3176.1-174.863.8000111A190 P191 F199 F313 Q315 E319 Y320 V321A190-L317 HydrophobicContact CB-CD2 3.64Å; A190-L317 WeakPolarHBondContact O-CD2 3.45Å; P191-L317 WeakPolarHBondContact O-CD2 3.27Å; F199-L317 HydrophobicContact CB-CD1 4.23Å; F199-L317 HydrophobicContact CB-CD2 4.16Å; F313-L317 HydrophobicContact CE1-CB 4.4Å; F313-L317 HydrophobicContact CE1-CD2 4.08Å; F313-L317 HydrophobicContact CZ-CD2 4.38Å; F313-L317 PolarHBondContact O-N 2.99Å; Q315-L317 VanDerWaalsContact C-N 3.3Å; Q315-L317 PolarHBondContact O-N 3.08Å; L317-E319 VanDerWaalsContact C-N 3.34Å; L317-E319 PolarHBondContact O-N 3.35Å; L317-Y320 HydrophobicContact CD1-CD1 4.37Å; L317-Y320 WeakPolarHBondContact O-CB 3.11Å; L317-Y320 PolarHBondContact O-N 3.11Å; L317-Y320 VanDerWaalsContact O-N 3.16Å; L317-V321 HydrophobicContact CD1-CG1 4.29Å; L317-V321 WeakPolarHBondContact O-CG2 3.13Å; L317-V321 PolarHBondContact O-N 3.29Å
318S98.8Very high98.2Very high8 Ų874.4 Ų74.46%0.05640%0.395CS..Hα-helixtrans-55.4-47.1172.5-87.40000112.3K193 D197 E314 Q315 Y320 V321 N322K193-S318 WeakPolarHBondContact CB-OG 3.31Å; K193-S318 PolarHBondContact N-OG 3.36Å; D197-S318 WeakPolarHBondContact CB-OG 3.45Å; D197-S318 VanDerWaalsContact CG-OG 3.3Å; D197-S318 WeakPolarHBondContact OD2-CB 3.47Å; D197-S318 PolarHBondContact OD2-OG 2.99Å; E314-S318 WeakPolarHBondContact O-CB 3.32Å; E314-S318 PolarHBondContact O-N 2.7Å; E314-S318 PolarHBondContact O-OG 3.07Å; Q315-S318 WeakPolarHBondContact O-CB 3.31Å; Q315-S318 PolarHBondContact O-N 2.96Å; S318-Y320 VanDerWaalsContact C-N 3.34Å; S318-Y320 PolarHBondContact O-N 3.39Å; S318-V321 WeakPolarHBondContact O-CG2 3.36Å; S318-N322 VanDerWaalsContact O-CB 3.28Å; S318-N322 WeakPolarHBondContact O-CB 3.44Å; S318-N322 VanDerWaalsContact O-CG 3.31Å; S318-N322 PolarHBondContact O-N 3.4Å; S318-N322 VanDerWaalsContact O-N 3.09Å; S318-N322 PolarHBondContact O-ND2 2.88Å
319E98.7Very high98.2Very high96 Ų9673.6 Ų73.645%0.44938%0.384SS..Hα-helixtrans-59.3-46.3175.5-73.1168.6-167.800110.8Q315 R316 L317 N322 I323Q315-E319 VanDerWaalsContact CG-OE1 3.26Å; Q315-E319 WeakPolarHBondContact CG-OE1 3.31Å; Q315-E319 PolarHBondContact NE2-OE1 3.47Å; Q315-E319 WeakPolarHBondContact O-CG 3.5Å; Q315-E319 PolarHBondContact O-N 3.08Å; R316-E319 PolarHBondContact O-N 3.19Å; L317-E319 VanDerWaalsContact C-N 3.34Å; L317-E319 PolarHBondContact O-N 3.35Å; E319-N322 PolarHBondContact O-N 2.81Å; E319-I323 WeakPolarHBondContact O-CB 3.1Å; E319-I323 WeakPolarHBondContact O-CD1 3.32Å; E319-I323 WeakPolarHBondContact O-CG1 3.32Å; E319-I323 PolarHBondContact O-N 3.46Å
320Y98.7Very high98.2Very high127 Ų12774.8 Ų74.850%0.49840%0.403SS..Hα-helixtrans-61.6-50.7-179.8177.7-114.7000113.3R316 L317 S318 N322 I323 M324R316-Y320 VanDerWaalsContact O-CB 3.31Å; R316-Y320 WeakPolarHBondContact O-CB 3.35Å; R316-Y320 PolarHBondContact O-N 3.44Å; L317-Y320 HydrophobicContact CD1-CD1 4.37Å; L317-Y320 WeakPolarHBondContact O-CB 3.11Å; L317-Y320 PolarHBondContact O-N 3.11Å; L317-Y320 VanDerWaalsContact O-N 3.16Å; S318-Y320 VanDerWaalsContact C-N 3.34Å; S318-Y320 PolarHBondContact O-N 3.39Å; Y320-N322 VanDerWaalsContact C-N 3.29Å; Y320-N322 PolarHBondContact O-N 2.91Å; Y320-I323 WeakPolarHBondContact O-CB 3.44Å; Y320-I323 PolarHBondContact O-N 2.97Å; Y320-M324 HydrophobicContact CD2-CE 4.04Å; Y320-M324 HydrophobicContact CE2-CE 3.54Å; Y320-M324 HydrophobicContact CE2-CG 4.36Å; Y320-M324 WeakPolarHBondContact O-CG 3.44Å; Y320-M324 PolarHBondContact O-N 2.85Å
321V98.5Very high98.1Very high1 Ų174.9 Ų74.91%0.00640%0.395CS..Hα-helixtrans-65.9-35.1-179.6-62.10000111.6D197 F199 L317 S318 M324 R325 V338D197-V321 HydrophobicContact CB-CG2 3.9Å; F199-V321 HydrophobicContact CD2-CG1 4.38Å; L317-V321 HydrophobicContact CD1-CG1 4.29Å; L317-V321 WeakPolarHBondContact O-CG2 3.13Å; L317-V321 PolarHBondContact O-N 3.29Å; S318-V321 WeakPolarHBondContact O-CG2 3.36Å; V321-M324 PolarHBondContact O-N 3.26Å; V321-R325 WeakPolarHBondContact O-CG 3.41Å; V321-R325 PolarHBondContact O-N 3.08Å; V321-V338 HydrophobicContact CB-CG1 4.33Å; V321-V338 HydrophobicContact CB-CG2 4.28Å
322N98.5Very high97.9Very high57 Ų5776.5 Ų76.531%0.30540%0.397SS..Hα-helixtrans-72.9-34.2176.3-72.6-46.2000112.5D197 S318 E319 Y320 M324 R325 N326D197-N322 PolarHBondContact OD1-ND2 3.3Å; D197-N322 PolarHBondContact OD1-OD1 2.83Å; D197-N322 PolarHBondContact OD2-ND2 3.29Å; S318-N322 VanDerWaalsContact O-CB 3.28Å; S318-N322 WeakPolarHBondContact O-CB 3.44Å; S318-N322 VanDerWaalsContact O-CG 3.31Å; S318-N322 PolarHBondContact O-N 3.4Å; S318-N322 VanDerWaalsContact O-N 3.09Å; S318-N322 PolarHBondContact O-ND2 2.88Å; E319-N322 PolarHBondContact O-N 2.81Å; Y320-N322 VanDerWaalsContact C-N 3.29Å; Y320-N322 PolarHBondContact O-N 2.91Å; N322-M324 VanDerWaalsContact C-N 3.32Å; N322-M324 PolarHBondContact O-N 3.26Å; N322-R325 PolarHBondContact OD1-NH1 3.34Å; N322-N326 WeakPolarHBondContact O-CB 3.38Å; N322-N326 PolarHBondContact O-N 2.83Å; N322-N326 VanDerWaalsContact O-N 3.14Å; N322-N326 PolarHBondContact O-ND2 2.82Å
323I98.6Very high97.7Very high101 Ų10183.3 Ų83.352%0.51842%0.421SS..Hα-helixtrans-56.9-49.7168.4-72.9161.9000109.3E319 Y320 N326 L327E319-I323 WeakPolarHBondContact O-CB 3.1Å; E319-I323 WeakPolarHBondContact O-CD1 3.32Å; E319-I323 WeakPolarHBondContact O-CG1 3.32Å; E319-I323 PolarHBondContact O-N 3.46Å; Y320-I323 WeakPolarHBondContact O-CB 3.44Å; Y320-I323 PolarHBondContact O-N 2.97Å; I323-N326 PolarHBondContact O-N 3.3Å; I323-L327 WeakPolarHBondContact O-CG 3.47Å; I323-L327 PolarHBondContact O-N 3.28Å
324M98.4Very high97.4Very high55 Ų5588.1 Ų88.127%0.27144%0.441SS..Hα-helixtrans-60.4-50.5-178.7-66.5-57.5128.800112.6Y320 V321 N322 N326 L327 V336 V338Y320-M324 HydrophobicContact CD2-CE 4.04Å; Y320-M324 HydrophobicContact CE2-CE 3.54Å; Y320-M324 HydrophobicContact CE2-CG 4.36Å; Y320-M324 WeakPolarHBondContact O-CG 3.44Å; Y320-M324 PolarHBondContact O-N 2.85Å; V321-M324 PolarHBondContact O-N 3.26Å; N322-M324 VanDerWaalsContact C-N 3.32Å; N322-M324 PolarHBondContact O-N 3.26Å; M324-N326 PolarHBondContact O-N 3.34Å; M324-L327 PolarHBondContact O-N 3.49Å; M324-L327 HydrophobicContact SD-CD1 4.07Å; M324-V336 WeakPolarHBondContact O-CB 3.31Å; M324-V336 WeakPolarHBondContact O-CG1 3.35Å; M324-V338 HydrophobicContact CB-CG1 3.58Å; M324-V338 HydrophobicContact CG-CG1 4.37Å
325R97.3Very high97.2Very high47 Ų4789.6 Ų89.618%0.17746%0.456CS..Hα-helixtrans-60.5-32.2-179.8-70.7176.3-173.3132.5-3.7113.5E196 D197 V321 N322 V338 D341E196-R325 PolarHBondContact O-NH2 2.78Å; D197-R325 IonicContact OD1-NH1 2.84Å; D197-R325 PolarHBondContact OD1-NH1 2.81Å; V321-R325 WeakPolarHBondContact O-CG 3.41Å; V321-R325 PolarHBondContact O-N 3.08Å; N322-R325 PolarHBondContact OD1-NH1 3.34Å; R325-V338 HydrophobicContact CG-CG1 4.09Å; R325-V338 HydrophobicContact CG-CG2 4.3Å; R325-D341 IonicContact CZ-OD1 2.85Å; R325-D341 IonicContact NE-OD1 3.42Å; R325-D341 PolarHBondContact NE-OD1 3.43Å; R325-D341 IonicContact NE-OD2 3.38Å; R325-D341 PolarHBondContact NE-OD2 3.14Å; R325-D341 IonicContact NH2-OD1 3.9Å; R325-D341 PolarHBondContact NH2-OD1 3.34Å
326N97.4Very high97.2Very high129 Ų12987.1 Ų87.169%0.6945%0.448SS*.THydrogen-bonded Turntrans-94.46.1-176.5-67.7-61.8000113.9N322 I323 M324N322-N326 WeakPolarHBondContact O-CB 3.38Å; N322-N326 PolarHBondContact O-N 2.83Å; N322-N326 VanDerWaalsContact O-N 3.14Å; N322-N326 PolarHBondContact O-ND2 2.82Å; I323-N326 PolarHBondContact O-N 3.3Å; M324-N326 PolarHBondContact O-N 3.34Å
327L98.2Very high97.1Very high80 Ų8085.2 Ų85.242%0.41945%0.446SS..SBendtrans-62.4143.4169.1-72.3174.2000110.4I323 M324 P329 V336I323-L327 WeakPolarHBondContact O-CG 3.47Å; I323-L327 PolarHBondContact O-N 3.28Å; M324-L327 PolarHBondContact O-N 3.49Å; M324-L327 HydrophobicContact SD-CD1 4.07Å; L327-P329 WeakPolarHBondContact O-CD 3.41Å; L327-V336 HydrophobicContact CB-CG2 4.2Å
328P97.7Very high97Very high117 Ų11784.7 Ų84.776%0.7644%0.443SS*.PPolyproline II helixtrans-57.3122.2176.3-24.834.2000111.3
329P97.6Very high97Very high43 Ų4386.6 Ų86.628%0.27946%0.456SS..PPolyproline II helixtrans-75.1149.6178.832-35.5000110.8L327 D331L327-P329 WeakPolarHBondContact O-CD 3.41Å; P329-D331 VanDerWaalsContact C-N 3.28Å
330V96.4Very high96.9Very high161 Ų16182.1 Ų82.198%0.97644%0.435SS*.SBendtrans-65.7-35.7171.9175.70000111.1
331D96.5Very high96.8Very high60 Ų6077.5 Ų77.532%0.32142%0.419SS..SBendtrans-124.6116.1176.51750.2000108.1P329 Q333 K334P329-D331 VanDerWaalsContact C-N 3.28Å; D331-Q333 PolarHBondContact O-N 2.95Å; D331-Q333 WeakPolarHBondContact OD1-CB 3.47Å; D331-Q333 PolarHBondContact OD1-N 3.08Å; D331-K334 HydrophobicContact CB-CB 4.35Å; D331-K334 CarbonylContact O-C 3.54Å; D331-K334 PolarHBondContact O-N 3.3Å
332N93.3Very high96.7Very high146 Ų14679.9 Ų79.978%0.78143%0.429SS*.THydrogen-bonded Turntrans-60.7-14.7-178.6-71.7-27.9000113.7
333Q93.8Very high96.6Very high175 Ų17578 Ų7882%0.81842%0.418SS*.THydrogen-bonded Turntrans-86.4-7.1173.8-58.2-171.1-18.400113.4D331D331-Q333 PolarHBondContact O-N 2.95Å; D331-Q333 WeakPolarHBondContact OD1-CB 3.47Å; D331-Q333 PolarHBondContact OD1-N 3.08Å
334K92.5Very high96.5Very high149 Ų14975.2 Ų75.265%0.64840%0.401SS*.SBendtrans-132.281.1-177.8-63.8179.8-172.2170.90109.4D331D331-K334 HydrophobicContact CB-CB 4.35Å; D331-K334 CarbonylContact O-C 3.54Å; D331-K334 PolarHBondContact O-N 3.3Å
335P95.1Very high96.4Very high89 Ų8975.6 Ų75.658%0.57840%0.403SS*.  trans-60.1157.5179.427.2-35.1000111.3I337P335-I337 PolarHBondContact O-N 3.02Å
336V97.3Very high96.4Very high51 Ų5173.3 Ų73.331%0.30939%0.394SS..  trans-65.6134.8172.1-176.70000108.7M324 L327M324-V336 WeakPolarHBondContact O-CB 3.31Å; M324-V336 WeakPolarHBondContact O-CG1 3.35Å; L327-V336 HydrophobicContact CB-CG2 4.2Å
337I96.1Very high96.4Very high75 Ų7568.8 Ų68.839%0.38537%0.369SS..  trans-117.3154.6-179.661.6178.8000109.7P335 D341 F342P335-I337 PolarHBondContact O-N 3.02Å; I337-D341 HydrophobicContact CB-CB 4.34Å; I337-F342 HydrophobicContact CD1-CD2 3.75Å; I337-F342 HydrophobicContact CD1-CE1 4.07Å; I337-F342 HydrophobicContact CD1-CE2 3.07Å; I337-F342 HydrophobicContact CD1-CG 4.49Å; I337-F342 HydrophobicContact CD1-CZ 3.26Å; I337-F342 HydrophobicContact CG2-CE1 4.1Å; I337-F342 HydrophobicContact CG2-CZ 4.19Å
338V97.8Very high96.4Very high11 Ų1168.4 Ų68.47%0.06737%0.37CS..  trans-112.1155.9167.6-610000110.7V321 M324 R325 G340 D341V321-V338 HydrophobicContact CB-CG1 4.33Å; V321-V338 HydrophobicContact CB-CG2 4.28Å; M324-V338 HydrophobicContact CB-CG1 3.58Å; M324-V338 HydrophobicContact CG-CG1 4.37Å; R325-V338 HydrophobicContact CG-CG1 4.09Å; R325-V338 HydrophobicContact CG-CG2 4.3Å; V338-G340 PolarHBondContact O-N 3.4Å; V338-D341 WeakPolarHBondContact CG2-OD1 3.42Å; V338-D341 WeakPolarHBondContact CG2-OD2 3.4Å; V338-D341 PolarHBondContact N-OD2 3.34Å; V338-D341 WeakPolarHBondContact O-CB 3.36Å; V338-D341 PolarHBondContact O-N 3.17Å
339P98Very high96.3Very high49 Ų4963.3 Ų63.332%0.31834%0.336SS..THydrogen-bonded Turntrans-49.3127.7172.2-3037.9000112.5F199 V200 L201F199-P339 HydrophobicContact CD2-CB 4.41Å; F199-P339 HydrophobicContact CD2-CG 4.48Å; F199-P339 HydrophobicContact CE1-CB 4.31Å; F199-P339 HydrophobicContact CE2-CB 3.88Å; F199-P339 HydrophobicContact CE2-CG 3.57Å; F199-P339 HydrophobicContact CZ-CB 3.83Å; F199-P339 HydrophobicContact CZ-CG 3.61Å; V200-P339 PolarHBondContact N-O 2.95Å; V200-P339 CarbonylContact O-C 3.6Å; V200-P339 VanDerWaalsContact O-CB 3.29Å; V200-P339 WeakPolarHBondContact O-CB 2.93Å; L201-P339 HydrophobicContact CB-CB 4.09Å; L201-P339 HydrophobicContact CD1-CB 4.09Å; L201-P339 HydrophobicContact CD1-CG 4.12Å
340G97.2Very high96.3Very high1 Ų161.3 Ų61.31%0.0132%0.324CS..THydrogen-bonded Turntrans102.4-17.9-176.100000114.3V200 V338 E343 R344V200-G340 WeakPolarHBondContact O-CA 3.4Å; V200-G340 PolarHBondContact O-N 2.74Å; V338-G340 PolarHBondContact O-N 3.4Å; G340-E343 VanDerWaalsContact C-OE2 3.25Å; G340-E343 WeakPolarHBondContact CA-OE2 3.5Å; G340-E343 PolarHBondContact N-OE2 3.48Å; G340-R344 VanDerWaalsContact C-NH2 3.29Å; G340-R344 WeakPolarHBondContact O-CB 3.35Å; G340-R344 WeakPolarHBondContact O-CG 3.15Å; G340-R344 PolarHBondContact O-N 2.99Å; G340-R344 PolarHBondContact O-NE 3.24Å
341D97.2Very high96.4Very high30 Ų3058.5 Ų58.516%0.1630%0.303CS..Hα-helixtrans-65.3-47.1-177.6-76.8-13.8000112.2R325 I337 V338 R344 E345R325-D341 IonicContact CZ-OD1 2.85Å; R325-D341 IonicContact NE-OD1 3.42Å; R325-D341 PolarHBondContact NE-OD1 3.43Å; R325-D341 IonicContact NE-OD2 3.38Å; R325-D341 PolarHBondContact NE-OD2 3.14Å; R325-D341 IonicContact NH2-OD1 3.9Å; R325-D341 PolarHBondContact NH2-OD1 3.34Å; I337-D341 HydrophobicContact CB-CB 4.34Å; V338-D341 WeakPolarHBondContact CG2-OD1 3.42Å; V338-D341 WeakPolarHBondContact CG2-OD2 3.4Å; V338-D341 PolarHBondContact N-OD2 3.34Å; V338-D341 WeakPolarHBondContact O-CB 3.36Å; V338-D341 PolarHBondContact O-N 3.17Å; D341-R344 PolarHBondContact O-N 2.89Å; D341-R344 IonicContact OD1-CZ 2.7Å; D341-R344 IonicContact OD1-NE 2.83Å; D341-R344 IonicContact OD1-NH2 3.36Å; D341-R344 PolarHBondContact OD1-NH2 3.09Å; D341-E345 PolarHBondContact O-N 3.41Å
342F95.5Very high96.4Very high52 Ų5262.7 Ų62.723%0.22832%0.321CS..Hα-helixtrans-69.6-34.9180-71.4-34.8000112.7H20 Y21 I337 R344 E345 H346H20-F342 HydrophobicContact CB-CB 4.3Å; H20-F342 HydrophobicContact CB-CD1 3.55Å; H20-F342 HydrophobicContact CB-CD2 4.25Å; H20-F342 HydrophobicContact CB-CE1 3.79Å; H20-F342 HydrophobicContact CB-CE2 4.42Å; H20-F342 HydrophobicContact CB-CG 3.81Å; H20-F342 HydrophobicContact CB-CZ 4.21Å; H20-F342 AromaticContact CD2-CD2 3.59Å; H20-F342 AromaticContact CD2-CE2 3.67Å; H20-F342 AromaticContact CD2-CG 4Å; H20-F342 AromaticContact CG-CD1 3.97Å; H20-F342 AromaticContact CG-CD2 3.88Å; H20-F342 AromaticContact CG-CE1 3.91Å; H20-F342 AromaticContact CG-CE2 3.77Å; H20-F342 AromaticContact CG-CG 3.96Å; H20-F342 AromaticContact CG-CZ 3.8Å; H20-F342 AromaticContact ND1-CE2 4Å; H20-F342 AromaticContact ND1-CZ 3.81Å; H20-F342 AromaticContact NE2-CE2 3.87Å; Y21-F342 HydrophobicContact CD2-CB 3.97Å; Y21-F342 HydrophobicContact CE2-CB 3.4Å; Y21-F342 VanDerWaalsContact CE2-CB 3.4Å; I337-F342 HydrophobicContact CD1-CD2 3.75Å; I337-F342 HydrophobicContact CD1-CE1 4.07Å; I337-F342 HydrophobicContact CD1-CE2 3.07Å; I337-F342 HydrophobicContact CD1-CG 4.49Å; I337-F342 HydrophobicContact CD1-CZ 3.26Å; I337-F342 HydrophobicContact CG2-CE1 4.1Å; I337-F342 HydrophobicContact CG2-CZ 4.19Å; F342-R344 VanDerWaalsContact C-N 3.33Å; F342-E345 PolarHBondContact O-N 3.39Å; F342-H346 PolarHBondContact O-N 3.01Å
343E97.2Very high96.5Very high16 Ų1656.1 Ų56.18%0.07529%0.286CS..Hα-helixtrans-64.4-41.6174.2-64.670.5-156.200110.1Y21 R66 H68 G340 H346 M347Y21-E343 HydrophobicContact CE2-CG 3.93Å; Y21-E343 VanDerWaalsContact CE2-OE1 3.26Å; Y21-E343 WeakPolarHBondContact CE2-OE1 3.32Å; Y21-E343 VanDerWaalsContact CZ-OE1 3.32Å; Y21-E343 PolarHBondContact OH-OE1 2.9Å; R66-E343 HydrophobicContact CB-CB 4.16Å; R66-E343 HydrophobicContact CB-CG 4.21Å; H68-E343 IonicContact CE1-OE1 2.8Å; H68-E343 PolarHBondContact CE1-OE1 2.87Å; H68-E343 IonicContact NE2-OE1 3.58Å; G340-E343 VanDerWaalsContact C-OE2 3.25Å; G340-E343 WeakPolarHBondContact CA-OE2 3.5Å; G340-E343 PolarHBondContact N-OE2 3.48Å; E343-H346 PolarHBondContact O-N 3.03Å; E343-M347 VanDerWaalsContact O-CG 3.26Å; E343-M347 WeakPolarHBondContact O-CG 3.42Å; E343-M347 PolarHBondContact O-N 3.2Å
344R96.7Very high96.6Very high43 Ų4350 Ų5016%0.16227%0.27CS..Hα-helixtrans-61.8-46.2173.5-81.4-175-70.4-93-7.4112.7E196 H198 G340 D341 F342 H346 M347 T348E196-R344 VanDerWaalsContact O-CZ 3.27Å; E196-R344 PolarHBondContact O-NH1 3.5Å; H198-R344 PolarHBondContact O-NH1 3.41Å; G340-R344 VanDerWaalsContact C-NH2 3.29Å; G340-R344 WeakPolarHBondContact O-CB 3.35Å; G340-R344 WeakPolarHBondContact O-CG 3.15Å; G340-R344 PolarHBondContact O-N 2.99Å; G340-R344 PolarHBondContact O-NE 3.24Å; D341-R344 PolarHBondContact O-N 2.89Å; D341-R344 IonicContact OD1-CZ 2.7Å; D341-R344 IonicContact OD1-NE 2.83Å; D341-R344 IonicContact OD1-NH2 3.36Å; D341-R344 PolarHBondContact OD1-NH2 3.09Å; F342-R344 VanDerWaalsContact C-N 3.33Å; R344-H346 VanDerWaalsContact C-N 3.26Å; R344-H346 PolarHBondContact O-N 2.95Å; R344-M347 HydrophobicContact CB-CE 4.21Å; R344-M347 HydrophobicContact CG-CE 3.71Å; R344-M347 PolarHBondContact O-N 3.04Å; R344-T348 PolarHBondContact O-N 3Å; R344-T348 PolarHBondContact O-OG1 3.09Å
345E96Very high96.9Very high63 Ų6343.1 Ų43.129%0.29424%0.24SC..Hα-helixtrans-56.7-42.7176.1-173.5-175.2-166.400111.2D341 F342 E349D341-E345 PolarHBondContact O-N 3.41Å; F342-E345 PolarHBondContact O-N 3.39Å; E345-E349 PolarHBondContact O-N 2.57Å
346H97.2Very high97Very high0 Ų038.9 Ų38.90%021%0.213CC..Hα-helixtrans-69.5-40.3178.2-169.275.6000112.9S19 Y21 T22 D64 Y65 G67 Y69 F342 E343 R344 T348 E349 C350S19-H346 PolarHBondContact OG-ND1 3.43Å; Y21-H346 HydrophobicContact CD2-CB 4.31Å; T22-H346 PolarHBondContact OG1-CE1 3.15Å; T22-H346 PolarHBondContact OG1-ND1 3.4Å; D64-H346 PolarHBondContact O-CD2 2.91Å; D64-H346 PolarHBondContact O-NE2 3.34Å; D64-H346 VanDerWaalsContact O-NE2 3.09Å; Y65-H346 PolarHBondContact O-CD2 2.95Å; Y65-H346 VanDerWaalsContact O-CD2 3.27Å; G67-H346 WeakPolarHBondContact CA-CD2 3.42Å; G67-H346 PolarHBondContact N-CD2 3.45Å; Y69-H346 AromaticContact CE2-CE1 3.73Å; Y69-H346 AromaticContact CE2-NE2 3.86Å; Y69-H346 AromaticContact CZ-CE1 3.78Å; Y69-H346 AromaticContact CZ-NE2 3.72Å; Y69-H346 PolarHBondContact OH-CE1 3.48Å; Y69-H346 PolarHBondContact OH-NE2 3.46Å; F342-H346 PolarHBondContact O-N 3.01Å; E343-H346 PolarHBondContact O-N 3.03Å; R344-H346 VanDerWaalsContact C-N 3.26Å; R344-H346 PolarHBondContact O-N 2.95Å; H346-T348 PolarHBondContact O-N 3.17Å; H346-E349 IonicContact ND1-OE2 3.31Å; H346-E349 WeakPolarHBondContact O-CB 3.28Å; H346-E349 PolarHBondContact O-N 3.26Å; H346-E349 VanDerWaalsContact O-N 3.15Å; H346-C350 PolarHBondContact O-N 2.94Å; H346-C350 PolarHBondContact O-SG 3.15Å
347M97.8Very high97Very high33 Ų3336.4 Ų36.416%0.16320%0.198CC..Hα-helixtrans-58.7-47174.2-73-174.6-57.600111.1Y65 R66 E343 R344 E349 C350 D351Y65-M347 HydrophobicContact CD1-CB 4.4Å; Y65-M347 HydrophobicContact CD1-CG 3.58Å; Y65-M347 HydrophobicContact CD1-SD 3.85Å; Y65-M347 HydrophobicContact CD2-CG 4.34Å; Y65-M347 HydrophobicContact CE1-CB 3.78Å; Y65-M347 HydrophobicContact CE1-CG 3.34Å; Y65-M347 HydrophobicContact CE1-SD 3.47Å; Y65-M347 WeakPolarHBondContact CE1-SD 3.08Å; Y65-M347 HydrophobicContact CE2-CB 3.97Å; Y65-M347 HydrophobicContact CE2-CG 4.15Å; Y65-M347 WeakPolarHBondContact CE2-O 3.29Å; Y65-M347 HydrophobicContact CG-CG 4.09Å; Y65-M347 WeakPolarHBondContact O-CA 3.02Å; Y65-M347 WeakPolarHBondContact O-CG 3.33Å; R66-M347 HydrophobicContact CG-CG 4.15Å; R66-M347 HydrophobicContact CG-SD 3.87Å; R66-M347 PolarHBondContact NH1-SD 2.86Å; R66-M347 VanDerWaalsContact NH1-SD 3.38Å; E343-M347 VanDerWaalsContact O-CG 3.26Å; E343-M347 WeakPolarHBondContact O-CG 3.42Å; E343-M347 PolarHBondContact O-N 3.2Å; R344-M347 HydrophobicContact CB-CE 4.21Å; R344-M347 HydrophobicContact CG-CE 3.71Å; R344-M347 PolarHBondContact O-N 3.04Å; M347-E349 VanDerWaalsContact C-N 3.31Å; M347-E349 PolarHBondContact O-N 3.12Å; M347-C350 WeakPolarHBondContact O-CB 3.42Å; M347-C350 PolarHBondContact O-N 3.36Å; M347-C350 VanDerWaalsContact O-N 3.15Å; M347-D351 VanDerWaalsContact O-CG 3.24Å; M347-D351 PolarHBondContact O-N 3.28Å
348T97.1Very high97Very high73 Ų7332.9 Ų32.945%0.44818%0.18SC..Hα-helixtrans-59.3-42174-58.60000111.6R344 H346 C350 D351 E352R344-T348 PolarHBondContact O-N 3Å; R344-T348 PolarHBondContact O-OG1 3.09Å; H346-T348 PolarHBondContact O-N 3.17Å; T348-C350 VanDerWaalsContact C-N 3.34Å; T348-C350 PolarHBondContact O-N 3.15Å; T348-D351 PolarHBondContact O-N 3.17Å; T348-E352 HydrophobicContact CG2-CG 4.46Å; T348-E352 WeakPolarHBondContact O-CG 3.46Å; T348-E352 PolarHBondContact O-N 3.47Å
349E96.3Very high96.8Very high9 Ų933.3 Ų33.34%0.04218%0.183CC..Hα-helixtrans-58.4-45.4175-171.2-170.9167.800111.8R16 S19 T22 E345 H346 M347 E352 L353R16-E349 IonicContact CZ-OE1 3.36Å; R16-E349 IonicContact NH1-OE1 3.31Å; R16-E349 PolarHBondContact NH1-OE1 2.81Å; R16-E349 IonicContact NH2-OE1 2.88Å; R16-E349 PolarHBondContact NH2-OE1 2.95Å; S19-E349 WeakPolarHBondContact CB-OE2 3.48Å; S19-E349 PolarHBondContact N-OE2 3.44Å; S19-E349 PolarHBondContact OG-OE2 3.48Å; T22-E349 WeakPolarHBondContact CB-OE2 3.39Å; T22-E349 PolarHBondContact OG1-OE2 3.25Å; E345-E349 PolarHBondContact O-N 2.57Å; H346-E349 IonicContact ND1-OE2 3.31Å; H346-E349 WeakPolarHBondContact O-CB 3.28Å; H346-E349 PolarHBondContact O-N 3.26Å; H346-E349 VanDerWaalsContact O-N 3.15Å; M347-E349 VanDerWaalsContact C-N 3.31Å; M347-E349 PolarHBondContact O-N 3.12Å; E349-E352 PolarHBondContact O-N 3.31Å; E349-L353 HydrophobicContact CG-CD1 4.45Å; E349-L353 WeakPolarHBondContact O-CB 3.4Å; E349-L353 VanDerWaalsContact O-CG 3.3Å; E349-L353 WeakPolarHBondContact O-CG 3.33Å; E349-L353 PolarHBondContact O-N 2.83Å
350C97.3Very high96.6Very high2 Ų234 Ų341%0.01419%0.187CC..Hα-helixtrans-63-40.6177.3-72.90000112.3Y65 H346 M347 T348 L353 G354 G355Y65-C350 HydrophobicContact CD2-CB 3.53Å; Y65-C350 HydrophobicContact CE2-CB 3.6Å; H346-C350 PolarHBondContact O-N 2.94Å; H346-C350 PolarHBondContact O-SG 3.15Å; M347-C350 WeakPolarHBondContact O-CB 3.42Å; M347-C350 PolarHBondContact O-N 3.36Å; M347-C350 VanDerWaalsContact O-N 3.15Å; T348-C350 VanDerWaalsContact C-N 3.34Å; T348-C350 PolarHBondContact O-N 3.15Å; C350-L353 CarbonylContact O-C 3.5Å; C350-L353 WeakPolarHBondContact O-CB 3.42Å; C350-L353 PolarHBondContact O-N 2.83Å; C350-G354 PolarHBondContact O-N 3.05Å; C350-G355 WeakPolarHBondContact CA-O 3.35Å; C350-G355 PolarHBondContact O-N 2.99Å
351D97.4Very high96.3Very high101 Ų10137.7 Ų37.754%0.5421%0.209SC..Hα-helixtrans-65.1-45.6178.4-64.2-20.4000111.2Y65 M347 T348 L353 G354Y65-D351 VanDerWaalsContact CE2-OD1 3.27Å; Y65-D351 WeakPolarHBondContact CE2-OD1 3.42Å; Y65-D351 VanDerWaalsContact OH-CG 3.25Å; Y65-D351 PolarHBondContact OH-OD1 3.16Å; Y65-D351 PolarHBondContact OH-OD2 3.41Å; M347-D351 VanDerWaalsContact O-CG 3.24Å; M347-D351 PolarHBondContact O-N 3.28Å; T348-D351 PolarHBondContact O-N 3.17Å; D351-L353 PolarHBondContact O-N 3.15Å; D351-G354 PolarHBondContact O-N 3.44Å
352E96.6Very high96.2Very high148 Ų14837.6 Ų37.669%0.69221%0.209SC*.Hα-helixtrans-62.1-31.6174.8-71.7178.5172.700112.3T348 E349 G354T348-E352 HydrophobicContact CG2-CG 4.46Å; T348-E352 WeakPolarHBondContact O-CG 3.46Å; T348-E352 PolarHBondContact O-N 3.47Å; E349-E352 PolarHBondContact O-N 3.31Å; E352-G354 VanDerWaalsContact C-N 3.35Å
353L95.8Very high96.2Very high9 Ų935.5 Ų35.55%0.04720%0.2CC..Hα-helixtrans-77.2-18.8172.2-74.7179.4000113.5R16 V29 E349 C350 D351 G355 P357 K382 L384R16-L353 VanDerWaalsContact CZ-CD2 3.44Å; R16-L353 VanDerWaalsContact NH2-CD1 3.27Å; V29-L353 HydrophobicContact CG1-CB 4.14Å; V29-L353 HydrophobicContact CG2-CD1 4.19Å; V29-L353 HydrophobicContact CG2-CD2 4.42Å; E349-L353 HydrophobicContact CG-CD1 4.45Å; E349-L353 WeakPolarHBondContact O-CB 3.4Å; E349-L353 VanDerWaalsContact O-CG 3.3Å; E349-L353 WeakPolarHBondContact O-CG 3.33Å; E349-L353 PolarHBondContact O-N 2.83Å; C350-L353 CarbonylContact O-C 3.5Å; C350-L353 WeakPolarHBondContact O-CB 3.42Å; C350-L353 PolarHBondContact O-N 2.83Å; D351-L353 PolarHBondContact O-N 3.15Å; L353-G355 WeakPolarHBondContact CB-O 3.23Å; L353-G355 PolarHBondContact O-N 2.93Å; L353-P357 HydrophobicContact CD1-CB 4.13Å; L353-P357 HydrophobicContact CD1-CG 3.92Å; L353-K382 WeakPolarHBondContact O-CE 3.38Å; L353-K382 PolarHBondContact O-NZ 3.34Å; L353-L384 HydrophobicContact CD1-CD1 4.26Å; L353-L384 HydrophobicContact CD2-CD1 4.37Å; L353-L384 HydrophobicContact CD2-CD2 3.65Å
354G96.8Very high96.2Very high47 Ų4739.9 Ų39.949%0.48522%0.221SC..THydrogen-bonded Turntrans6425.6-167.200000112.8C350 D351 E352 I381C350-G354 PolarHBondContact O-N 3.05Å; D351-G354 PolarHBondContact O-N 3.44Å; E352-G354 VanDerWaalsContact C-N 3.35Å; G354-I381 WeakPolarHBondContact O-CD1 3.49Å
355G97.7Very high96.1Very high3 Ų339.5 Ų39.53%0.03123%0.225CC..SBendtrans167.9174-178.600000113.7I30 C350 L353I30-G355 CarbonylContact O-C 3.41Å; I30-G355 VanDerWaalsContact O-CA 3.23Å; I30-G355 WeakPolarHBondContact O-CA 3.38Å; C350-G355 WeakPolarHBondContact CA-O 3.35Å; C350-G355 PolarHBondContact O-N 2.99Å; L353-G355 WeakPolarHBondContact CB-O 3.23Å; L353-G355 PolarHBondContact O-N 2.93Å
356I97.9Very high96.2Very high0 Ų036.9 Ų36.90%021%0.212CC..EExtended strand (participates in β ladder)trans-93.3129.3-176.9-58.1169.1000109.1V29 I30 T32 V61 D64 Y69 Y358V29-I356 WeakPolarHBondContact CA-O 3.5Å; I30-I356 PolarHBondContact N-O 3.48Å; I30-I356 PolarHBondContact O-N 3.08Å; T32-I356 HydrophobicContact CG2-CD1 4.03Å; T32-I356 HydrophobicContact CG2-CG1 4.21Å; V61-I356 HydrophobicContact CG1-CD1 4.22Å; D64-I356 HydrophobicContact CB-CD1 3.95Å; D64-I356 HydrophobicContact CB-CG2 3.98Å; Y69-I356 HydrophobicContact CE1-CG2 3.86Å; I356-Y358 HydrophobicContact CB-CE2 3.72Å; I356-Y358 HydrophobicContact CG2-CD2 4.38Å; I356-Y358 HydrophobicContact CG2-CE1 3.9Å; I356-Y358 HydrophobicContact CG2-CE2 3.75Å; I356-Y358 VanDerWaalsContact CG2-CZ 3.48Å; I356-Y358 VanDerWaalsContact O-CD2 3.32Å; I356-Y358 WeakPolarHBondContact O-CD2 3.49Å; I356-Y358 WeakPolarHBondContact O-CE2 3.42Å
357P97.3Very high96.3Very high0 Ų038.9 Ų38.90%022%0.223CC..EExtended strand (participates in β ladder)trans-78.6135.6174.531.3-31.4000110.6T22 Y26 V29 Y69 L353 L384T22-P357 HydrophobicContact CG2-CG 3.91Å; Y26-P357 WeakPolarHBondContact CD1-O 3.16Å; V29-P357 HydrophobicContact CG2-CB 4.4Å; Y69-P357 WeakPolarHBondContact CE1-O 3.29Å; Y69-P357 WeakPolarHBondContact OH-CG 3.42Å; Y69-P357 PolarHBondContact OH-O 2.7Å; L353-P357 HydrophobicContact CD1-CB 4.13Å; L353-P357 HydrophobicContact CD1-CG 3.92Å; P357-L384 HydrophobicContact CB-CD1 4.24Å
358Y96Very high96.3Very high0 Ų043.2 Ų43.20%024%0.238CC..EExtended strand (participates in β ladder)trans-127.8155.2177.9-66.3-73.7000111.7Y26 S27 Q28 I30 V35 D64 Y69 L73 I356 L362 I363Y26-Y358 CarbonylContact C-O 3.56Å; S27-Y358 PolarHBondContact N-O 3.12Å; S27-Y358 VanDerWaalsContact N-O 3.1Å; Q28-Y358 PolarHBondContact N-O 3.42Å; Q28-Y358 PolarHBondContact O-N 3.44Å; I30-Y358 HydrophobicContact CB-CD2 4.26Å; I30-Y358 HydrophobicContact CB-CE2 4.18Å; I30-Y358 HydrophobicContact CD1-CD2 4.09Å; I30-Y358 HydrophobicContact CG1-CD2 4.23Å; V35-Y358 HydrophobicContact CG2-CE2 3.88Å; D64-Y358 HydrophobicContact CB-CE1 4.17Å; D64-Y358 WeakPolarHBondContact OD2-CE1 3.32Å; D64-Y358 PolarHBondContact OD2-OH 3.49Å; D64-Y358 VanDerWaalsContact OD2-OH 3.07Å; Y69-Y358 HydrophobicContact CD1-CD1 4.39Å; Y69-Y358 HydrophobicContact CD1-CE1 4.26Å; Y69-Y358 HydrophobicContact CE1-CD1 4.08Å; Y69-Y358 HydrophobicContact CE1-CE1 4.01Å; L73-Y358 HydrophobicContact CB-CE1 4.26Å; L73-Y358 HydrophobicContact CD2-CE1 4.17Å; L73-Y358 HydrophobicContact CD2-CE2 4.44Å; I356-Y358 HydrophobicContact CB-CE2 3.72Å; I356-Y358 HydrophobicContact CG2-CD2 4.38Å; I356-Y358 HydrophobicContact CG2-CE1 3.9Å; I356-Y358 HydrophobicContact CG2-CE2 3.75Å; I356-Y358 VanDerWaalsContact CG2-CZ 3.48Å; I356-Y358 VanDerWaalsContact O-CD2 3.32Å; I356-Y358 WeakPolarHBondContact O-CD2 3.49Å; I356-Y358 WeakPolarHBondContact O-CE2 3.42Å; Y358-L362 HydrophobicContact CD1-CD2 3.73Å; Y358-L362 HydrophobicContact CE1-CD2 4.34Å; Y358-L362 HydrophobicContact CG-CD2 4.48Å; Y358-I363 HydrophobicContact CD2-CD1 4.39Å; Y358-I363 HydrophobicContact CG-CD1 4.28Å
359P93.1Very high96.4Very high20 Ų2040 Ų4013%0.1322%0.218CC..  trans-78.1142.2174.132.4-32.1000110.2Y26 V361 L362 I363Y26-P359 HydrophobicContact CD2-CB 3.84Å; Y26-P359 HydrophobicContact CD2-CG 4.17Å; Y26-P359 HydrophobicContact CE1-CG 4.22Å; Y26-P359 HydrophobicContact CE2-CB 3.81Å; Y26-P359 HydrophobicContact CE2-CG 3.77Å; Y26-P359 HydrophobicContact CG-CB 4.38Å; P359-V361 HydrophobicContact CB-CG1 4.23Å; P359-V361 HydrophobicContact CG-CG1 4.35Å; P359-V361 PolarHBondContact O-N 3.2Å; P359-V361 VanDerWaalsContact O-N 3.08Å; P359-L362 HydrophobicContact CG-CB 3.87Å; P359-L362 PolarHBondContact O-N 3.31Å; P359-I363 PolarHBondContact O-N 2.93Å
360P94.4Very high96.5Very high64 Ų6439.6 Ų39.642%0.41622%0.216SC..Hα-helixtrans-51.9-36.9-179.4-28.833.8000114.6G25 Q28 L362 I363 E364G25-P360 WeakPolarHBondContact O-CD 3.43Å; Q28-P360 HydrophobicContact CG-CB 4.4Å; Q28-P360 HydrophobicContact CG-CG 4.03Å; P360-L362 VanDerWaalsContact C-N 3.29Å; P360-L362 PolarHBondContact O-N 2.88Å; P360-I363 WeakPolarHBondContact O-CB 3.47Å; P360-I363 PolarHBondContact O-N 3.31Å; P360-I363 VanDerWaalsContact O-N 3.15Å; P360-E364 PolarHBondContact O-N 2.62Å
361V92Very high96.5Very high78 Ų7844 Ų4447%0.47324%0.239SC..Hα-helixtrans-62.4-33.5179.467.50000113.2P359 S365P359-V361 HydrophobicContact CB-CG1 4.23Å; P359-V361 HydrophobicContact CG-CG1 4.35Å; P359-V361 PolarHBondContact O-N 3.2Å; P359-V361 VanDerWaalsContact O-N 3.08Å; V361-S365 PolarHBondContact O-N 2.92Å
362L93.4Very high96.6Very high29 Ų2945 Ų4515%0.15224%0.241CC..Hα-helixtrans-70.2-44175.5176.359.6000109.8N74 Y358 P359 P360 E364 S365 L366N74-L362 HydrophobicContact CB-CD1 4.19Å; N74-L362 HydrophobicContact CB-CD2 4.48Å; Y358-L362 HydrophobicContact CD1-CD2 3.73Å; Y358-L362 HydrophobicContact CE1-CD2 4.34Å; Y358-L362 HydrophobicContact CG-CD2 4.48Å; P359-L362 HydrophobicContact CG-CB 3.87Å; P359-L362 PolarHBondContact O-N 3.31Å; P360-L362 VanDerWaalsContact C-N 3.29Å; P360-L362 PolarHBondContact O-N 2.88Å; L362-E364 VanDerWaalsContact C-N 3.3Å; L362-E364 PolarHBondContact O-N 3.02Å; L362-S365 WeakPolarHBondContact O-CB 3.19Å; L362-S365 PolarHBondContact O-N 3.5Å; L362-S365 VanDerWaalsContact O-N 3.11Å; L362-L366 HydrophobicContact CD1-CD1 3.94Å; L362-L366 HydrophobicContact CD1-CD2 4.5Å; L362-L366 HydrophobicContact CD1-CG 4.04Å; L362-L366 HydrophobicContact CD2-CD1 4.48Å; L362-L366 HydrophobicContact CG-CD1 3.81Å; L362-L366 HydrophobicContact CG-CG 4.34Å; L362-L366 WeakPolarHBondContact O-CG 3.44Å; L362-L366 PolarHBondContact O-N 2.96Å
363I96.7Very high96.6Very high7 Ų738.8 Ų38.84%0.03621%0.212CC..Hα-helixtrans-59.7-42.2177.4-56.8-48.5000111.2Q28 I30 Y358 P359 P360 S365 L366 N367 M378 I380Q28-I363 HydrophobicContact CB-CG1 3.91Å; Q28-I363 HydrophobicContact CG-CG1 4.16Å; I30-I363 HydrophobicContact CD1-CD1 3.44Å; I30-I363 VanDerWaalsContact CD1-CD1 3.44Å; I30-I363 HydrophobicContact CD1-CG1 4.48Å; Y358-I363 HydrophobicContact CD2-CD1 4.39Å; Y358-I363 HydrophobicContact CG-CD1 4.28Å; P359-I363 PolarHBondContact O-N 2.93Å; P360-I363 WeakPolarHBondContact O-CB 3.47Å; P360-I363 PolarHBondContact O-N 3.31Å; P360-I363 VanDerWaalsContact O-N 3.15Å; I363-S365 VanDerWaalsContact C-N 3.33Å; I363-S365 PolarHBondContact O-N 3.42Å; I363-L366 PolarHBondContact O-N 3.1Å; I363-N367 WeakPolarHBondContact O-CB 3.12Å; I363-N367 VanDerWaalsContact O-CG 3.23Å; I363-N367 PolarHBondContact O-N 3.08Å; I363-N367 PolarHBondContact O-ND2 3.39Å; I363-M378 HydrophobicContact CD1-CE 4.11Å; I363-I380 HydrophobicContact CG2-CD1 4.33Å
364E96.6Very high96.8Very high109 Ų10947 Ų4751%0.50925%0.247SC..Hα-helixtrans-60.2-42.9175.2-163.6-163.7142.800112.1P360 L362 N367 R368P360-E364 PolarHBondContact O-N 2.62Å; L362-E364 VanDerWaalsContact C-N 3.3Å; L362-E364 PolarHBondContact O-N 3.02Å; E364-N367 PolarHBondContact O-N 3.42Å; E364-R368 PolarHBondContact O-N 3.34Å; E364-R368 VanDerWaalsContact O-N 3.12Å; E364-R368 IonicContact OE1-CZ 3.8Å; E364-R368 IonicContact OE1-NH1 2.85Å; E364-R368 PolarHBondContact OE1-NH1 3.49Å
365S95.8Very high96.8Very high35 Ų3545.6 Ų45.625%0.24523%0.229CC..Hα-helixtrans-63.9-43.3176.2-152.40000112.5V361 L362 I363 N367 R368 L369V361-S365 PolarHBondContact O-N 2.92Å; L362-S365 WeakPolarHBondContact O-CB 3.19Å; L362-S365 PolarHBondContact O-N 3.5Å; L362-S365 VanDerWaalsContact O-N 3.11Å; I363-S365 VanDerWaalsContact C-N 3.33Å; I363-S365 PolarHBondContact O-N 3.42Å; S365-N367 VanDerWaalsContact C-N 3.34Å; S365-R368 WeakPolarHBondContact O-CB 3.36Å; S365-R368 PolarHBondContact O-N 2.69Å; S365-L369 PolarHBondContact O-N 2.85Å; S365-L369 VanDerWaalsContact O-N 3.08Å
366L97.9Very high96.8Very high8 Ų850 Ų504%0.04225%0.252CS..Hα-helixtrans-71.1-30.8178.8-63.1169.6000111.9F38 L73 L76 L362 I363 L369 A370 M378F38-L366 HydrophobicContact CE1-CB 4.05Å; F38-L366 HydrophobicContact CE1-CD2 4.19Å; F38-L366 HydrophobicContact CZ-CB 4.21Å; L73-L366 HydrophobicContact CD1-CD1 4.39Å; L73-L366 HydrophobicContact CD2-CD1 3.36Å; L73-L366 HydrophobicContact CG-CD1 3.57Å; L73-L366 HydrophobicContact CG-CD2 4.38Å; L76-L366 HydrophobicContact CD2-CD2 4.46Å; L362-L366 HydrophobicContact CD1-CD1 3.94Å; L362-L366 HydrophobicContact CD1-CD2 4.5Å; L362-L366 HydrophobicContact CD1-CG 4.04Å; L362-L366 HydrophobicContact CD2-CD1 4.48Å; L362-L366 HydrophobicContact CG-CD1 3.81Å; L362-L366 HydrophobicContact CG-CG 4.34Å; L362-L366 WeakPolarHBondContact O-CG 3.44Å; L362-L366 PolarHBondContact O-N 2.96Å; I363-L366 PolarHBondContact O-N 3.1Å; L366-L369 HydrophobicContact CD2-CD2 4.45Å; L366-L369 WeakPolarHBondContact O-CB 3.44Å; L366-L369 PolarHBondContact O-N 3Å; L366-A370 WeakPolarHBondContact O-CB 3.41Å; L366-A370 PolarHBondContact O-N 2.94Å; L366-M378 HydrophobicContact CB-CE 4.08Å; L366-M378 HydrophobicContact CD1-CE 3.49Å; L366-M378 VanDerWaalsContact CD1-CE 3.49Å; L366-M378 HydrophobicContact CG-CE 4.43Å
367N98.2Very high96.9Very high41 Ų4154.5 Ų54.522%0.21927%0.272CS..Hα-helixtrans-65.2-38.6171.7-77.5-21000111.9I363 E364 S365 A370 D371 K377I363-N367 WeakPolarHBondContact O-CB 3.12Å; I363-N367 VanDerWaalsContact O-CG 3.23Å; I363-N367 PolarHBondContact O-N 3.08Å; I363-N367 PolarHBondContact O-ND2 3.39Å; E364-N367 PolarHBondContact O-N 3.42Å; S365-N367 VanDerWaalsContact C-N 3.34Å; N367-A370 WeakPolarHBondContact O-CB 3.42Å; N367-A370 PolarHBondContact O-N 2.91Å; N367-D371 PolarHBondContact O-N 2.86Å; N367-K377 HydrophobicContact CB-CD 4.21Å; N367-K377 WeakPolarHBondContact OD1-CG 3.3Å
368R98.3Very high96.9Very high125 Ų12555 Ų5547%0.47227%0.274SS..Hα-helixtrans-63-43.2171.7-73.6-173.5-72.3-93-0.1111.7E364 S365 A370 D371 Q372E364-R368 PolarHBondContact O-N 3.34Å; E364-R368 VanDerWaalsContact O-N 3.12Å; E364-R368 IonicContact OE1-CZ 3.8Å; E364-R368 IonicContact OE1-NH1 2.85Å; E364-R368 PolarHBondContact OE1-NH1 3.49Å; S365-R368 WeakPolarHBondContact O-CB 3.36Å; S365-R368 PolarHBondContact O-N 2.69Å; R368-A370 VanDerWaalsContact C-N 3.3Å; R368-A370 PolarHBondContact O-N 2.9Å; R368-D371 PolarHBondContact O-N 3.14Å; R368-Q372 WeakPolarHBondContact O-CB 3.25Å; R368-Q372 PolarHBondContact O-N 3.18Å
369L98.2Very high96.9Very high5 Ų562 Ų623%0.02630%0.304CS..Hα-helixtrans-60.4-42.1174.6-176.963.3000111.1L76 E77 V80 S365 L366 Q372 L373L76-L369 HydrophobicContact CD2-CD2 4.27Å; L76-L369 HydrophobicContact CG-CD2 4.26Å; E77-L369 HydrophobicContact CB-CD2 4.26Å; E77-L369 HydrophobicContact CG-CD1 4.37Å; V80-L369 HydrophobicContact CG1-CD1 4.27Å; S365-L369 PolarHBondContact O-N 2.85Å; S365-L369 VanDerWaalsContact O-N 3.08Å; L366-L369 HydrophobicContact CD2-CD2 4.45Å; L366-L369 WeakPolarHBondContact O-CB 3.44Å; L366-L369 PolarHBondContact O-N 3Å; L369-Q372 PolarHBondContact O-N 2.89Å; L369-L373 HydrophobicContact CD1-CD1 3.86Å; L369-L373 HydrophobicContact CD1-CG 4.12Å; L369-L373 HydrophobicContact CG-CD1 3.98Å; L369-L373 HydrophobicContact CG-CG 4.49Å; L369-L373 WeakPolarHBondContact O-CB 3.37Å; L369-L373 WeakPolarHBondContact O-CG 3.39Å; L369-L373 PolarHBondContact O-N 2.94Å
370A98.6Very high97.2Very high0 Ų064.1 Ų64.10%031%0.314CS..Hα-helixtrans-60-47.1176.900000112F38 L366 N367 R368 L373 K374 V375 K377F38-A370 HydrophobicContact CE2-CB 3.72Å; F38-A370 HydrophobicContact CZ-CB 4.11Å; L366-A370 WeakPolarHBondContact O-CB 3.41Å; L366-A370 PolarHBondContact O-N 2.94Å; N367-A370 WeakPolarHBondContact O-CB 3.42Å; N367-A370 PolarHBondContact O-N 2.91Å; R368-A370 VanDerWaalsContact C-N 3.3Å; R368-A370 PolarHBondContact O-N 2.9Å; A370-L373 PolarHBondContact O-N 2.82Å; A370-K374 WeakPolarHBondContact O-CA 3.43Å; A370-K374 PolarHBondContact O-N 3.11Å; A370-V375 HydrophobicContact CB-CG2 3.95Å; A370-V375 PolarHBondContact O-N 2.92Å; A370-K377 HydrophobicContact CB-CG 3.87Å
371D98.5Very high97.2Very high96 Ų9664.9 Ų64.951%0.51331%0.314SS..Hα-helixtrans-62.7-42.9177.5-70.3-31.7000111.3N367 R368 K374 K377N367-D371 PolarHBondContact O-N 2.86Å; R368-D371 PolarHBondContact O-N 3.14Å; D371-K374 PolarHBondContact O-N 2.99Å; D371-K377 VanDerWaalsContact CG-CE 3.43Å; D371-K377 WeakPolarHBondContact OD1-CE 2.84Å; D371-K377 IonicContact OD1-NZ 2.7Å; D371-K377 PolarHBondContact OD1-NZ 3.16Å; D371-K377 WeakPolarHBondContact OD2-CE 3.46Å; D371-K377 IonicContact OD2-NZ 3.85Å; D371-K377 PolarHBondContact OD2-NZ 3.36Å
372Q98.1Very high97.3Very high122 Ų12265 Ų6557%0.5731%0.308SS*.Hα-helixtrans-61.8-43.5176.8179.5-177.9-19.900112.3R368 L369 K374R368-Q372 WeakPolarHBondContact O-CB 3.25Å; R368-Q372 PolarHBondContact O-N 3.18Å; L369-Q372 PolarHBondContact O-N 2.89Å; Q372-K374 VanDerWaalsContact C-N 3.35Å
373L98.3Very high97.2Very high17 Ų1767.3 Ų67.39%0.08933%0.327CS..Hα-helixtrans-86.3-5.8-178.3-63.2180000113.5C42 K45 V46 V80 L369 A370 V375C42-L373 HydrophobicContact CB-CD1 3.78Å; K45-L373 HydrophobicContact CB-CB 4.41Å; V46-L373 HydrophobicContact CG1-CD2 3.82Å; V80-L373 HydrophobicContact CG1-CD1 3.97Å; V80-L373 HydrophobicContact CG1-CD2 4.21Å; V80-L373 HydrophobicContact CG2-CD1 4.34Å; L369-L373 HydrophobicContact CD1-CD1 3.86Å; L369-L373 HydrophobicContact CD1-CG 4.12Å; L369-L373 HydrophobicContact CG-CD1 3.98Å; L369-L373 HydrophobicContact CG-CG 4.49Å; L369-L373 WeakPolarHBondContact O-CB 3.37Å; L369-L373 WeakPolarHBondContact O-CG 3.39Å; L369-L373 PolarHBondContact O-N 2.94Å; A370-L373 PolarHBondContact O-N 2.82Å; L373-V375 HydrophobicContact CB-CG1 4.3Å; L373-V375 HydrophobicContact CB-CG2 4.36Å
374K98.3Very high96.9Very high181 Ų18170.8 Ų70.879%0.78735%0.345SS*.THydrogen-bonded Turntrans53.353-174.8-55.6178.1-179178.20111.8A370 D371 Q372A370-K374 WeakPolarHBondContact O-CA 3.43Å; A370-K374 PolarHBondContact O-N 3.11Å; D371-K374 PolarHBondContact O-N 2.99Å; Q372-K374 VanDerWaalsContact C-N 3.35Å
375V98.4Very high97Very high17 Ų1768.9 Ų68.910%0.10334%0.337CS..  trans-116.5164.4172.4-61.20000110.5F38 Q41 K45 A370 L373F38-V375 HydrophobicContact CD2-CG2 4.47Å; F38-V375 HydrophobicContact CE2-CG2 3.94Å; Q41-V375 HydrophobicContact CB-CB 4.18Å; Q41-V375 HydrophobicContact CB-CG1 4.02Å; K45-V375 HydrophobicContact CB-CG1 4.41Å; K45-V375 HydrophobicContact CD-CG1 4.14Å; K45-V375 HydrophobicContact CG-CG1 3.28Å; A370-V375 HydrophobicContact CB-CG2 3.95Å; A370-V375 PolarHBondContact O-N 2.92Å; L373-V375 HydrophobicContact CB-CG1 4.3Å; L373-V375 HydrophobicContact CB-CG2 4.36Å
376D98Very high97Very high95 Ų9570.7 Ų70.751%0.50834%0.342SS..PPolyproline II helixtrans-64.1142.8176.1-56.7-43.2000110.6F38 Q41F38-D376 VanDerWaalsContact CD2-O 3.31Å; F38-D376 WeakPolarHBondContact CD2-O 3.28Å; F38-D376 WeakPolarHBondContact CE2-O 3.22Å; Q41-D376 PolarHBondContact NE2-OD2 3.36Å; Q41-D376 VanDerWaalsContact NE2-OD2 3.15Å
377K98.2Very high97Very high95 Ų9574.2 Ų74.241%0.41336%0.358SS..PPolyproline II helixtrans-75.9145.9171.4-69174.7177.8170.90109.7N367 A370 D371 K379N367-K377 HydrophobicContact CB-CD 4.21Å; N367-K377 WeakPolarHBondContact OD1-CG 3.3Å; A370-K377 HydrophobicContact CB-CG 3.87Å; D371-K377 VanDerWaalsContact CG-CE 3.43Å; D371-K377 WeakPolarHBondContact OD1-CE 2.84Å; D371-K377 IonicContact OD1-NZ 2.7Å; D371-K377 PolarHBondContact OD1-NZ 3.16Å; D371-K377 WeakPolarHBondContact OD2-CE 3.46Å; D371-K377 IonicContact OD2-NZ 3.85Å; D371-K377 PolarHBondContact OD2-NZ 3.36Å; K377-K379 PolarHBondContact O-N 3.22Å
378M97.9Very high96.9Very high11 Ų1176.1 Ų76.15%0.05437%0.367CS..PPolyproline II helixtrans-62136.2175.5-68-179-66.900111.4I30 E34 V35 F38 L73 I363 L366 I380I30-M378 HydrophobicContact CD1-CB 3.95Å; I30-M378 HydrophobicContact CD1-CE 3.8Å; I30-M378 HydrophobicContact CD1-SD 3.95Å; I30-M378 HydrophobicContact CG2-CB 4.27Å; I30-M378 HydrophobicContact CG2-SD 4.29Å; E34-M378 HydrophobicContact CG-CB 4.11Å; E34-M378 HydrophobicContact CG-CG 4.4Å; E34-M378 WeakPolarHBondContact OE1-CA 3.33Å; V35-M378 HydrophobicContact CG2-SD 4.32Å; F38-M378 HydrophobicContact CB-CG 3.39Å; F38-M378 HydrophobicContact CB-SD 3.94Å; F38-M378 HydrophobicContact CD1-CE 4.11Å; F38-M378 HydrophobicContact CD1-CG 3.81Å; F38-M378 HydrophobicContact CD1-SD 3.71Å; F38-M378 HydrophobicContact CD2-CG 3.82Å; F38-M378 HydrophobicContact CE1-CE 4.27Å; F38-M378 HydrophobicContact CE1-SD 4.45Å; F38-M378 HydrophobicContact CG-CG 3.38Å; F38-M378 HydrophobicContact CG-SD 3.89Å; L73-M378 HydrophobicContact CD2-CE 3.82Å; L73-M378 HydrophobicContact CD2-SD 3.94Å; I363-M378 HydrophobicContact CD1-CE 4.11Å; L366-M378 HydrophobicContact CB-CE 4.08Å; L366-M378 HydrophobicContact CD1-CE 3.49Å; L366-M378 VanDerWaalsContact CD1-CE 3.49Å; L366-M378 HydrophobicContact CG-CE 4.43Å; M378-I380 PolarHBondContact O-N 2.87Å
379K97.2Very high96.8Very high146 Ų14673.1 Ų73.164%0.63536%0.36SS*.PPolyproline II helixtrans-78.6118.1172.1-172.9-179.4178.4-175.80111.7E34 K377 I381E34-K379 HydrophobicContact CG-CB 4.32Å; E34-K379 PolarHBondContact OE1-N 2.84Å; K377-K379 PolarHBondContact O-N 3.22Å; K379-I381 PolarHBondContact O-N 2.98Å
380I97.3Very high96.7Very high66 Ų6677.6 Ų77.634%0.33838%0.382SS..PPolyproline II helixtrans-72.8124.4167.1-62.7153.6000108.6Q28 I30 I363 M378 K382Q28-I380 HydrophobicContact CB-CG1 4.46Å; Q28-I380 VanDerWaalsContact OE1-CD1 3.28Å; I30-I380 HydrophobicContact CG1-CG1 4.35Å; I363-I380 HydrophobicContact CG2-CD1 4.33Å; M378-I380 PolarHBondContact O-N 2.87Å; I380-K382 WeakPolarHBondContact CG2-O 3.42Å
381I96.2Very high96.6Very high80 Ų8083.1 Ų83.141%0.4141%0.41SS..  trans-87.6-29.4179.957.7162.6000112.4V29 G354 K379V29-I381 HydrophobicContact CB-CG1 4.12Å; V29-I381 HydrophobicContact CG1-CD1 3.87Å; V29-I381 HydrophobicContact CG1-CG1 3.91Å; V29-I381 VanDerWaalsContact O-CG1 3.22Å; V29-I381 WeakPolarHBondContact O-CG1 3.22Å; V29-I381 PolarHBondContact O-N 3.31Å; G354-I381 WeakPolarHBondContact O-CD1 3.49Å; K379-I381 PolarHBondContact O-N 2.98Å
382K93.6Very high96.5Very high80 Ų8082.2 Ų82.235%0.34840%0.402SS..EExtended strand (participates in β ladder)trans-160.2152.5171.556.9-177.1155.8-171.10111.5V29 L353 I380 L384V29-K382 HydrophobicContact CB-CG 3.65Å; V29-K382 HydrophobicContact CG1-CG 4.26Å; V29-K382 HydrophobicContact CG2-CD 4.4Å; V29-K382 HydrophobicContact CG2-CG 3.75Å; V29-K382 PolarHBondContact N-O 2.83Å; L353-K382 WeakPolarHBondContact O-CE 3.38Å; L353-K382 PolarHBondContact O-NZ 3.34Å; I380-K382 WeakPolarHBondContact CG2-O 3.42Å; K382-L384 HydrophobicContact CD-CD2 4.38Å
383S91.8Very high96.3Very high78 Ų7878.8 Ų78.855%0.54539%0.387SS..EExtended strand (participates in β ladder)trans-103.9128165-171.80000108.6S27 Q28S27-S383 CarbonylContact O-C 3.58Å; S27-S383 VanDerWaalsContact O-CA 3.25Å; S27-S383 WeakPolarHBondContact O-CA 3.18Å; Q28-S383 PolarHBondContact NE2-OG 3.31Å; Q28-S383 VanDerWaalsContact NE2-OG 3.14Å
384L90.5Very high96.1Very high80 Ų8084.5 Ų84.542%0.41942%0.415SS..  trans-76.60-180-59.6171.8000113.5S27 V29 L353 P357 K382S27-L384 PolarHBondContact O-N 2.88Å; V29-L384 HydrophobicContact CG2-CD1 3.84Å; V29-L384 HydrophobicContact CG2-CD2 4.01Å; V29-L384 HydrophobicContact CG2-CG 3.72Å; L353-L384 HydrophobicContact CD1-CD1 4.26Å; L353-L384 HydrophobicContact CD2-CD1 4.37Å; L353-L384 HydrophobicContact CD2-CD2 3.65Å; P357-L384 HydrophobicContact CB-CD1 4.24Å; K382-L384 HydrophobicContact CD-CD2 4.38Å

Retrieved 384 of 384 residues in 206.3 ms (Link to these results)

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