A0A087Y826_POEFO Loading...

Chromosome 21 open reading frame 91

AlphaFold DB , UniProt , Accession A0A087Y826, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 287 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
1M41Very low55Low229 Ų229162.8 Ų162.8100%1.12881%0.809SS**  0103.90-78.3-170.4-163.700104E3M1-E3 PolarHBondContact O-N 2.76Å
2D48.1Very low55.2Low163 Ų163161.4 Ų161.487%0.87281%0.805SS**  trans-78.4108.6176.7-62.5-52.9000106.4E4D2-E4 PolarHBondContact O-N 3.24Å; D2-E4 VanDerWaalsContact O-N 3.16Å
3E51.9Low55.5Low182 Ų182157.2 Ų157.285%0.8579%0.787SS**  trans-72.9104.2176.3-67-179.2166.600107.3M1 E5M1-E3 PolarHBondContact O-N 2.76Å; E3-E5 PolarHBondContact O-N 3.21Å; E3-E5 VanDerWaalsContact O-N 3.1Å
4E57.9Low56Low191 Ų191154.4 Ų154.489%0.89378%0.776SS**  trans-57.8112.7173.9-71.4175.816100109D2 Q6D2-E4 PolarHBondContact O-N 3.24Å; D2-E4 VanDerWaalsContact O-N 3.16Å; E4-Q6 PolarHBondContact O-N 2.8Å
5E61Low56.7Low151 Ų151149.5 Ų149.571%0.70675%0.753SS**  trans-59.2107177.9-67.3-179.7164.200109.8E3 F7E3-E5 PolarHBondContact O-N 3.21Å; E3-E5 VanDerWaalsContact O-N 3.1Å; E5-F7 HydrophobicContact CB-CD2 4.35Å; E5-F7 HydrophobicContact CB-CE2 3.76Å; E5-F7 HydrophobicContact CB-CZ 4.12Å; E5-F7 VanDerWaalsContact O-CD2 3.24Å; E5-F7 WeakPolarHBondContact O-CD2 3.41Å; E5-F7 PolarHBondContact O-N 3.22Å; E5-F7 WeakPolarHBondContact OE2-CZ 3.48Å
6Q59.9Low57.9Low178 Ų178143.8 Ų143.883%0.83273%0.726SS**  trans-75.192.5175.7-175167.66.900109.5E4 V8E4-Q6 PolarHBondContact O-N 2.8Å; Q6-V8 PolarHBondContact O-N 2.86Å; Q6-V8 VanDerWaalsContact O-N 3.13Å
7F51.9Low59.5Low164 Ų164138.2 Ų138.272%0.71970%0.698SS**  trans-69.3106.7171.6-67.3-84.3000110E5 N9E5-F7 HydrophobicContact CB-CD2 4.35Å; E5-F7 HydrophobicContact CB-CE2 3.76Å; E5-F7 HydrophobicContact CB-CZ 4.12Å; E5-F7 VanDerWaalsContact O-CD2 3.24Å; E5-F7 WeakPolarHBondContact O-CD2 3.41Å; E5-F7 PolarHBondContact O-N 3.22Å; E5-F7 WeakPolarHBondContact OE2-CZ 3.48Å; F7-N9 PolarHBondContact O-N 3.41Å
8V60.5Low61.1Low114 Ų114130.5 Ų130.569%0.69166%0.659SS**  trans-76.5113.6168.3-176.40000107.4Q6 I10Q6-V8 PolarHBondContact O-N 2.86Å; Q6-V8 VanDerWaalsContact O-N 3.13Å; V8-I10 PolarHBondContact O-N 3.28Å
9N60.2Low62.5Low157 Ų157125.3 Ų125.384%0.8464%0.636SS**  trans-66.6101.8168.4-76.2-33.8000108.3F7 D11F7-N9 PolarHBondContact O-N 3.41Å; N9-D11 PolarHBondContact O-N 3.44Å
10I55.5Low63.7Low136 Ų136121.7 Ų121.770%0.69762%0.62SS**  trans-74.4110.1169.3-57.8171.4000106.3V8 L12V8-I10 PolarHBondContact O-N 3.28Å; I10-L12 HydrophobicContact CG2-CD2 4.46Å; I10-L12 PolarHBondContact O-N 2.88Å
11D57Low64.9Low126 Ų126118.2 Ų118.267%0.67461%0.606SS**  trans-68.3111.4173.2-168.30.9000108.9N9 N13N9-D11 PolarHBondContact O-N 3.44Å; D11-N13 VanDerWaalsContact C-N 3.26Å; D11-N13 WeakPolarHBondContact OD1-CB 3.26Å; D11-N13 PolarHBondContact OD1-N 3.44Å
12L57.2Low67.2Low146 Ų146114.3 Ų114.376%0.76458%0.583SS**  trans-87.412.4179.7-69.5172.5000112.4I10 D14I10-L12 HydrophobicContact CG2-CD2 4.46Å; I10-L12 PolarHBondContact O-N 2.88Å; L12-D14 PolarHBondContact O-N 3.49Å; L12-D14 VanDerWaalsContact O-N 3.09Å
13N59.8Low69.1Low106 Ų106111.7 Ų111.757%0.56757%0.568SS**  trans-70.6108.6173.3-92.6-1.8000110.1D11 D15D11-N13 VanDerWaalsContact C-N 3.26Å; D11-N13 WeakPolarHBondContact OD1-CB 3.26Å; D11-N13 PolarHBondContact OD1-N 3.44Å; N13-D15 PolarHBondContact O-N 2.86Å
14D61.9Low70.6Confident119 Ų119111 Ų11164%0.63657%0.565SS**  trans-63.740.2168.7-68.1-31.6000112.8L12 N16 I17L12-D14 PolarHBondContact O-N 3.49Å; L12-D14 VanDerWaalsContact O-N 3.09Å; D14-N16 PolarHBondContact O-N 3.16Å; D14-I17 HydrophobicContact CB-CB 4.26Å; D14-I17 HydrophobicContact CB-CD1 3.76Å; D14-I17 HydrophobicContact CB-CG1 3.96Å; D14-I17 PolarHBondContact O-N 3.37Å
15D66.9Low71.6Confident81 Ų81103.6 Ų103.643%0.43353%0.533SS..THydrogen-bonded Turntrans-65.3-6.4-174.9-77.1-24.2000113.7N13 R56N13-D15 PolarHBondContact O-N 2.86Å; D15-R56 WeakPolarHBondContact O-CD 3.35Å; D15-R56 PolarHBondContact O-NH1 3.38Å
16N75.9Confident72.4Confident58 Ų58104 Ų10431%0.3154%0.535SS..THydrogen-bonded Turntrans-108.92.5179.3-67.1-28.3000112.9D14 E24 T25 T27 L30D14-N16 PolarHBondContact O-N 3.16Å; N16-E24 CarbonylContact O-C 3.55Å; N16-E24 WeakPolarHBondContact O-CA 3.15Å; N16-T25 WeakPolarHBondContact CB-O 3.19Å; N16-T25 PolarHBondContact O-N 3.48Å; N16-T25 PolarHBondContact O-OG1 3.23Å; N16-T27 WeakPolarHBondContact OD1-CA 3.5Å; N16-L30 VanDerWaalsContact C-CD1 3.41Å
17I85.4Confident72.6Confident48 Ų48101.3 Ų101.325%0.24653%0.531CS..BIsolated β-bridgetrans-99.5125.2176.6-54.7-175000109.9D14 S19 E24D14-I17 HydrophobicContact CB-CB 4.26Å; D14-I17 HydrophobicContact CB-CD1 3.76Å; D14-I17 HydrophobicContact CB-CG1 3.96Å; D14-I17 PolarHBondContact O-N 3.37Å; I17-S19 PolarHBondContact O-N 3.16Å; I17-E24 HydrophobicContact CD1-CG 4.43Å; I17-E24 HydrophobicContact CG1-CG 4.05Å
18C87.7Confident73.3Confident0 Ų096.5 Ų96.50%053%0.527CS..  trans-65.8120.8174.41770000110.6V20 C21 K22 L23 L30 H58C18-V20 PolarHBondContact O-N 3.24Å; C18-V20 PolarHBondContact SG-N 2.85Å; C18-C21 WeakPolarHBondContact CB-SG 3.24Å; C18-K22 VanDerWaalsContact O-CA 3.23Å; C18-K22 WeakPolarHBondContact O-CA 3.34Å; C18-K22 PolarHBondContact O-N 3.38Å; C18-L23 PolarHBondContact N-O 3.47Å; C18-L30 HydrophobicContact CB-CD2 3.91Å; C18-H58 PolarHBondContact SG-N 3.01Å
19S87.1Confident74.1Confident31 Ų3194.3 Ų94.322%0.21752%0.515CS..THydrogen-bonded Turntrans-59-22.9178.555.20000114.6I17 K22 R56I17-S19 PolarHBondContact O-N 3.16Å; S19-K22 VanDerWaalsContact O-CE 3.3Å; S19-K22 WeakPolarHBondContact O-CE 3.36Å; S19-K22 PolarHBondContact O-NZ 2.86Å; S19-R56 VanDerWaalsContact CB-O 3.27Å; S19-R56 WeakPolarHBondContact CB-O 3.19Å; S19-R56 PolarHBondContact N-O 3.04Å; S19-R56 PolarHBondContact OG-O 3.42Å
20V87.5Confident75.1Confident53 Ų5387.2 Ų87.232%0.32148%0.476SS..THydrogen-bonded Turntrans-90-59.3-179179.40000111.9C18 C61 F62 C65C18-V20 PolarHBondContact O-N 3.24Å; C18-V20 PolarHBondContact SG-N 2.85Å; V20-C61 HydrophobicContact CB-CB 3.73Å; V20-C61 HydrophobicContact CG1-CB 3.83Å; V20-C61 HydrophobicContact CG2-CB 4.05Å; V20-F62 HydrophobicContact CG2-CD1 4.01Å; V20-F62 HydrophobicContact CG2-CE1 3.86Å; V20-C65 WeakPolarHBondContact CG1-SG 3.23Å
21C89Confident76.5Confident49 Ų4982.8 Ų82.833%0.33146%0.457SS..THydrogen-bonded Turntrans-92.1-6.4-175.165.10000114.5C18 L23C18-C21 WeakPolarHBondContact CB-SG 3.24Å; C21-L23 HydrophobicContact CB-CG 4.35Å; C21-L23 PolarHBondContact O-N 3.33Å
22K89.3Confident77.9Confident147 Ų14782.1 Ų82.164%0.63945%0.449SS*.  trans58.423.8-179.9-49.8-54.2-170.6-172.70114.4C18 S19C18-K22 VanDerWaalsContact O-CA 3.23Å; C18-K22 WeakPolarHBondContact O-CA 3.34Å; C18-K22 PolarHBondContact O-N 3.38Å; S19-K22 VanDerWaalsContact O-CE 3.3Å; S19-K22 WeakPolarHBondContact O-CE 3.36Å; S19-K22 PolarHBondContact O-NZ 2.86Å
23L87.5Confident79.4Confident109 Ų10975.6 Ų75.657%0.57142%0.415SS*.  trans-93.2137.4174.2-60.2178.8000110.1C18 C21 T25C18-L23 PolarHBondContact N-O 3.47Å; C21-L23 HydrophobicContact CB-CG 4.35Å; C21-L23 PolarHBondContact O-N 3.33Å; L23-T25 PolarHBondContact O-OG1 2.97Å
24E83.7Confident80.7Confident167 Ų16774 Ų7478%0.7840%0.404SS*.BIsolated β-bridgetrans-64.8137.9166.7-73175.2-164.800109.7N16 I17N16-E24 CarbonylContact O-C 3.55Å; N16-E24 WeakPolarHBondContact O-CA 3.15Å; I17-E24 HydrophobicContact CD1-CG 4.43Å; I17-E24 HydrophobicContact CG1-CG 4.05Å
25T79.4Confident81.8Confident36 Ų3670.2 Ų70.222%0.22139%0.386CS..  trans-142.3150.4-175.4-17.80000110.5N16 L23 T29 H58N16-T25 WeakPolarHBondContact CB-O 3.19Å; N16-T25 PolarHBondContact O-N 3.48Å; N16-T25 PolarHBondContact O-OG1 3.23Å; L23-T25 PolarHBondContact O-OG1 2.97Å; T25-T29 WeakPolarHBondContact CB-OG1 3.24Å; T25-T29 WeakPolarHBondContact CG2-OG1 3.37Å; T25-H58 WeakPolarHBondContact CG2-NE2 3.24Å; T25-H58 PolarHBondContact OG1-CE1 3.48Å; T25-H58 PolarHBondContact OG1-NE2 2.86Å; T25-H58 VanDerWaalsContact OG1-NE2 3.09Å
26E77.3Confident82.7Confident160 Ų16066.7 Ų66.775%0.74837%0.367SS*.  trans-58.2141.6-179.5-66.4178.5-178.100112.3G28 T29E26-G28 PolarHBondContact O-N 3.38Å; E26-G28 VanDerWaalsContact O-N 3.15Å; E26-T29 HydrophobicContact CB-CG2 4.29Å; E26-T29 PolarHBondContact O-N 3.43Å; E26-T29 VanDerWaalsContact O-N 3.13Å; E26-T29 PolarHBondContact O-OG1 2.86Å
27T64.8Low83.2Confident120 Ų12070.2 Ų70.274%0.73638%0.38SS*.THydrogen-bonded Turntrans-54.1118-178.3-38.20000111N16N16-T27 WeakPolarHBondContact OD1-CA 3.5Å
28G65.6Low83.3Confident63 Ų6374.2 Ų74.265%0.64940%0.397SS*.THydrogen-bonded Turntrans103.1-4.817800000115.7E26E26-G28 PolarHBondContact O-N 3.38Å; E26-G28 VanDerWaalsContact O-N 3.15Å
29T76.9Confident83.1Confident69 Ų6977 Ų7742%0.42341%0.412SS..  trans-86.7-16173.959.50000113.5T25 E26T25-T29 WeakPolarHBondContact CB-OG1 3.24Å; T25-T29 WeakPolarHBondContact CG2-OG1 3.37Å; E26-T29 HydrophobicContact CB-CG2 4.29Å; E26-T29 PolarHBondContact O-N 3.43Å; E26-T29 VanDerWaalsContact O-N 3.13Å; E26-T29 PolarHBondContact O-OG1 2.86Å
30L82.7Confident82.9Confident7 Ų778.1 Ų78.14%0.03742%0.42CS..  trans-89.5131.6176.5-56.5-178000111.5N16 C18 R56 H58N16-L30 VanDerWaalsContact C-CD1 3.41Å; C18-L30 HydrophobicContact CB-CD2 3.91Å; L30-R56 HydrophobicContact CB-CG 3.46Å; L30-R56 VanDerWaalsContact CB-CG 3.46Å; L30-R56 HydrophobicContact CD1-CG 4.15Å; L30-R56 HydrophobicContact CG-CG 4.46Å; L30-H58 VanDerWaalsContact CD2-CD2 3.49Å; L30-H58 WeakPolarHBondContact CD2-CD2 3.13Å
31S83.2Confident82.7Confident43 Ų4381.4 Ų81.430%0.30144%0.435SS..EExtended strand (participates in β ladder)trans-118.3167.1-178.361.40000110.7R56 G57 F62S31-R56 CarbonylContact O-C 3.59Å; S31-R56 WeakPolarHBondContact O-CA 3.32Å; S31-G57 PolarHBondContact N-O 3.21Å; S31-G57 PolarHBondContact O-N 2.85Å; S31-G57 PolarHBondContact OG-O 2.95Å; S31-F62 WeakPolarHBondContact O-CE2 3.47Å
32F87.1Confident82.5Confident112 Ų11286.2 Ų86.249%0.49145%0.452SS..EExtended strand (participates in β ladder)trans-79.5156.8165.9-62.2-71.1000110.4H34 S54 L55F32-H34 PolarHBondContact O-N 3.1Å; F32-S54 WeakPolarHBondContact CD1-OG 3.32Å; F32-S54 WeakPolarHBondContact CE1-OG 3.42Å; F32-L55 WeakPolarHBondContact CA-O 3.29Å
33C89.2Confident82.1Confident9 Ų982.2 Ų82.26%0.06145%0.453CS..  trans-65.7102.1174.7-1770000110.8V35 C36 F37 H51 F62 H66C33-V35 VanDerWaalsContact C-N 3.31Å; C33-V35 PolarHBondContact O-N 2.77Å; C33-C36 HydrophobicContact CB-CB 4.3Å; C33-F37 WeakPolarHBondContact O-CB 3.39Å; C33-F37 PolarHBondContact O-N 2.85Å; C33-F37 VanDerWaalsContact O-N 3.07Å; C33-H51 PolarHBondContact SG-ND1 2.84Å; C33-H51 VanDerWaalsContact SG-ND1 3.36Å; C33-F62 HydrophobicContact CB-CB 4.44Å; C33-F62 HydrophobicContact CB-CD1 3.8Å; C33-F62 HydrophobicContact CB-CD2 4.04Å; C33-F62 HydrophobicContact CB-CE1 3.97Å; C33-F62 HydrophobicContact CB-CE2 4.19Å; C33-F62 HydrophobicContact CB-CG 3.83Å; C33-F62 HydrophobicContact CB-CZ 4.16Å; C33-H66 PolarHBondContact SG-NE2 2.92Å
34H86.4Confident81.9Confident73 Ų7379.4 Ų79.434%0.33844%0.44SS..Hα-helixtrans-61.6-36.2-179.861.2-82000112.9F32 F37 E38F32-H34 PolarHBondContact O-N 3.1Å; H34-F37 PolarHBondContact O-N 3.27Å; H34-E38 WeakPolarHBondContact O-CB 3.3Å; H34-E38 PolarHBondContact O-N 2.67Å
35V86.3Confident81.8Confident40 Ų4076 Ų7624%0.24243%0.43CS..Hα-helixtrans-65-51.6-179.9-175.90000111.5C33 F37 E38 L39C33-V35 VanDerWaalsContact C-N 3.31Å; C33-V35 PolarHBondContact O-N 2.77Å; V35-F37 VanDerWaalsContact C-N 3.26Å; V35-F37 PolarHBondContact O-N 2.83Å; V35-E38 PolarHBondContact O-N 3.4Å; V35-L39 HydrophobicContact CG1-CD1 4.15Å; V35-L39 VanDerWaalsContact O-CG 3.26Å; V35-L39 WeakPolarHBondContact O-CG 3.39Å; V35-L39 PolarHBondContact O-N 2.72Å; V35-L39 VanDerWaalsContact O-N 3.12Å
36C85.6Confident81.8Confident7 Ų777.9 Ų77.95%0.04745%0.445CS..Hα-helixtrans-64.9-33.2176.8-72.60000112.1C33 S40 H51 H66C33-C36 HydrophobicContact CB-CB 4.3Å; C36-S40 WeakPolarHBondContact O-CB 3.24Å; C36-S40 PolarHBondContact O-N 2.78Å; C36-H51 HydrophobicContact CB-CB 4.27Å; C36-H51 PolarHBondContact SG-N 2.84Å; C36-H51 VanDerWaalsContact SG-N 3.42Å; C36-H51 PolarHBondContact SG-ND1 2.81Å; C36-H51 VanDerWaalsContact SG-ND1 3.38Å; C36-H66 PolarHBondContact SG-CE1 3.43Å; C36-H66 PolarHBondContact SG-NE2 3.27Å; C36-H66 VanDerWaalsContact SG-NE2 3.39Å
37F85.8Confident82Confident132 Ų13274.9 Ų74.958%0.57945%0.448SS*.Hα-helixtrans-66.8-46.9177.6-177.9-105.6000111.9C33 H34 V35 L39 S40 I41C33-F37 WeakPolarHBondContact O-CB 3.39Å; C33-F37 PolarHBondContact O-N 2.85Å; C33-F37 VanDerWaalsContact O-N 3.07Å; H34-F37 PolarHBondContact O-N 3.27Å; V35-F37 VanDerWaalsContact C-N 3.26Å; V35-F37 PolarHBondContact O-N 2.83Å; F37-L39 PolarHBondContact O-N 2.93Å; F37-S40 WeakPolarHBondContact O-CB 3.47Å; F37-S40 PolarHBondContact O-N 3.18Å; F37-S40 PolarHBondContact O-OG 3.29Å; F37-I41 HydrophobicContact CD1-CD1 3.95Å; F37-I41 HydrophobicContact CE1-CD1 3.45Å; F37-I41 VanDerWaalsContact CE1-CD1 3.45Å; F37-I41 HydrophobicContact CE2-CD1 4.39Å; F37-I41 HydrophobicContact CZ-CD1 3.71Å; F37-I41 PolarHBondContact O-N 2.75Å
38E86.5Confident82.9Confident131 Ų13173.2 Ų73.261%0.61244%0.441SS*.Hα-helixtrans-61.1-45.9177.3-170.6168.7-163.300111.5H34 V35 S40 I41 E42H34-E38 WeakPolarHBondContact O-CB 3.3Å; H34-E38 PolarHBondContact O-N 2.67Å; V35-E38 PolarHBondContact O-N 3.4Å; E38-S40 VanDerWaalsContact C-N 3.27Å; E38-S40 PolarHBondContact O-N 3.22Å; E38-I41 PolarHBondContact O-N 3.02Å; E38-I41 VanDerWaalsContact O-N 3.08Å; E38-E42 PolarHBondContact O-N 2.92Å
39L83.8Confident83.8Confident58 Ų5871.3 Ų71.330%0.30442%0.416SS..Hα-helixtrans-62.6-32.7176.2-67.5172.2000112.7V35 F37 I41 E42 G43 V44 L49V35-L39 HydrophobicContact CG1-CD1 4.15Å; V35-L39 VanDerWaalsContact O-CG 3.26Å; V35-L39 WeakPolarHBondContact O-CG 3.39Å; V35-L39 PolarHBondContact O-N 2.72Å; V35-L39 VanDerWaalsContact O-N 3.12Å; F37-L39 PolarHBondContact O-N 2.93Å; L39-I41 VanDerWaalsContact C-N 3.34Å; L39-E42 PolarHBondContact O-N 2.82Å; L39-G43 PolarHBondContact O-N 2.93Å; L39-V44 HydrophobicContact CB-CB 4.28Å; L39-V44 HydrophobicContact CB-CG2 4.18Å; L39-V44 HydrophobicContact CD2-CG2 4.29Å; L39-V44 VanDerWaalsContact O-CB 3.24Å; L39-V44 WeakPolarHBondContact O-CB 3.23Å; L39-V44 WeakPolarHBondContact O-CG2 3.41Å; L39-V44 PolarHBondContact O-N 2.8Å; L39-L49 HydrophobicContact CB-CD2 3.42Å; L39-L49 VanDerWaalsContact CB-CD2 3.42Å; L39-L49 HydrophobicContact CD1-CD2 3.94Å; L39-L49 HydrophobicContact CG-CD2 4.34Å
40S83.7Confident84.2Confident56 Ų5672.3 Ų72.339%0.39242%0.418SS..Hα-helixtrans-68.1-33.8175.478.80000112.7C36 F37 E38 G43C36-S40 WeakPolarHBondContact O-CB 3.24Å; C36-S40 PolarHBondContact O-N 2.78Å; F37-S40 WeakPolarHBondContact O-CB 3.47Å; F37-S40 PolarHBondContact O-N 3.18Å; F37-S40 PolarHBondContact O-OG 3.29Å; E38-S40 VanDerWaalsContact C-N 3.27Å; E38-S40 PolarHBondContact O-N 3.22Å; S40-G43 PolarHBondContact O-N 3.3Å
41I83.1Confident84.3Confident122 Ų12273.5 Ų73.563%0.62642%0.423SS*.Hα-helixtrans-74.5-34.1174.9-63.5169.8000110.5F37 E38 L39 G43F37-I41 HydrophobicContact CD1-CD1 3.95Å; F37-I41 HydrophobicContact CE1-CD1 3.45Å; F37-I41 VanDerWaalsContact CE1-CD1 3.45Å; F37-I41 HydrophobicContact CE2-CD1 4.39Å; F37-I41 HydrophobicContact CZ-CD1 3.71Å; F37-I41 PolarHBondContact O-N 2.75Å; E38-I41 PolarHBondContact O-N 3.02Å; E38-I41 VanDerWaalsContact O-N 3.08Å; L39-I41 VanDerWaalsContact C-N 3.34Å; I41-G43 PolarHBondContact O-N 3.37Å; I41-G43 VanDerWaalsContact O-N 3.12Å
42E84.9Confident83.8Confident150 Ų15076 Ų7670%0.70144%0.441SS*.THydrogen-bonded Turntrans-69.7-0.6174.3-154.8173.7-175.100113.3E38 L39E38-E42 PolarHBondContact O-N 2.92Å; L39-E42 PolarHBondContact O-N 2.82Å
43G81.2Confident83.2Confident63 Ų6378.7 Ų78.765%0.64945%0.453SS*.THydrogen-bonded Turntrans87.412.8174.200000114.5L39 S40 I41L39-G43 PolarHBondContact O-N 2.93Å; S40-G43 PolarHBondContact O-N 3.3Å; I41-G43 PolarHBondContact O-N 3.37Å; I41-G43 VanDerWaalsContact O-N 3.12Å
44V82.6Confident82.4Confident49 Ų4982.4 Ų82.430%0.29748%0.479SS..  trans-69.3131.4172.4-178.20000109.3L39 L49L39-V44 HydrophobicContact CB-CB 4.28Å; L39-V44 HydrophobicContact CB-CG2 4.18Å; L39-V44 HydrophobicContact CD2-CG2 4.29Å; L39-V44 VanDerWaalsContact O-CB 3.24Å; L39-V44 WeakPolarHBondContact O-CB 3.23Å; L39-V44 WeakPolarHBondContact O-CG2 3.41Å; L39-V44 PolarHBondContact O-N 2.8Å; V44-L49 HydrophobicContact CB-CD2 4.16Å; V44-L49 HydrophobicContact CG1-CD2 3.87Å; V44-L49 HydrophobicContact CG1-CG 4.43Å
45T82.5Confident82.2Confident95 Ų9581.6 Ų81.658%0.58348%0.477SS*.  trans-63.8142.6179.661.30000110.8A47 S48T45-A47 PolarHBondContact O-N 2.88Å; T45-S48 PolarHBondContact O-N 2.84Å
46S78.1Confident82.2Confident76 Ų7683.7 Ų83.753%0.53148%0.48SS..THydrogen-bonded Turntrans-58.8-20.4-179.955.60000113.9S48 S52S46-S48 VanDerWaalsContact C-N 3.34Å; S46-S52 WeakPolarHBondContact O-CB 3.29Å
47A82.6Confident82.3Confident97 Ų9783.3 Ų83.380%0.80248%0.478SS*.THydrogen-bonded Turntrans-72.5-23.1173.500000113.8T45T45-A47 PolarHBondContact O-N 2.88Å
48S82.4Confident82.5Confident86 Ų8679 Ų7960%0.60146%0.459SS*.THydrogen-bonded Turntrans-94.6-8.2177.7-174.40000113T45 S46T45-S48 PolarHBondContact O-N 2.84Å; S46-S48 VanDerWaalsContact C-N 3.34Å
49L85.5Confident82.6Confident22 Ų2280.2 Ų80.212%0.11546%0.458CS..SBendtrans-82.2145.4176.1-60179.1000110.2L39 V44 H51L39-L49 HydrophobicContact CB-CD2 3.42Å; L39-L49 VanDerWaalsContact CB-CD2 3.42Å; L39-L49 HydrophobicContact CD1-CD2 3.94Å; L39-L49 HydrophobicContact CG-CD2 4.34Å; V44-L49 HydrophobicContact CB-CD2 4.16Å; V44-L49 HydrophobicContact CG1-CD2 3.87Å; V44-L49 HydrophobicContact CG1-CG 4.43Å; L49-H51 PolarHBondContact O-N 2.78Å
50L85Confident82.9Confident91 Ų9182.2 Ų82.248%0.47647%0.47SS..SBendtrans-66.7-27.3173.8-69.9174.3000112.5H66 A69L50-H66 WeakPolarHBondContact CD1-ND1 3.42Å; L50-A69 HydrophobicContact CD1-CB 3.28Å; L50-A69 HydrophobicContact CD2-CB 3.71Å; L50-A69 HydrophobicContact CG-CB 4.15Å
51H85.8Confident83.3Confident31 Ų3180.6 Ų80.614%0.14446%0.458CS..  trans-124.9104.6177.4-48.3122.9000108.6C33 C36 L49 L55 F62 H66C33-H51 PolarHBondContact SG-ND1 2.84Å; C33-H51 VanDerWaalsContact SG-ND1 3.36Å; C36-H51 HydrophobicContact CB-CB 4.27Å; C36-H51 PolarHBondContact SG-N 2.84Å; C36-H51 VanDerWaalsContact SG-N 3.42Å; C36-H51 PolarHBondContact SG-ND1 2.81Å; C36-H51 VanDerWaalsContact SG-ND1 3.38Å; L49-H51 PolarHBondContact O-N 2.78Å; H51-L55 HydrophobicContact CB-CD1 4.16Å; H51-F62 AromaticContact CE1-CD1 3.61Å; H51-H66 AromaticContact CE1-CD2 3.99Å; H51-H66 AromaticContact CE1-NE2 3.6Å; H51-H66 AromaticContact ND1-NE2 3.63Å
52S71.6Confident83.7Confident97 Ų9774.8 Ų74.868%0.67843%0.428SS*.  trans-86.1-18.7-179.958.80000113.5S46S46-S52 WeakPolarHBondContact O-CB 3.29Å
53K75.1Confident83.9Confident167 Ų16772.2 Ų72.273%0.72642%0.416SS*.SBendtrans-107.9148.5173-169.7174-179.5-178.50109.2L55K53-L55 PolarHBondContact O-N 2.78Å
54S71.8Confident84.4Confident87 Ų8775.5 Ų75.561%0.60841%0.412SS*.  trans-63.899.6173.2-163.20000109.7F32F32-S54 WeakPolarHBondContact CD1-OG 3.32Å; F32-S54 WeakPolarHBondContact CE1-OG 3.42Å
55L82.3Confident84.7Confident57 Ų5775 Ų7530%0.29841%0.41SS..  trans-97.3138.4179.5-67.6180000109.8F32 H51 K53 F62F32-L55 WeakPolarHBondContact CA-O 3.29Å; H51-L55 HydrophobicContact CB-CD1 4.16Å; K53-L55 PolarHBondContact O-N 2.78Å; L55-F62 HydrophobicContact CB-CE1 4.09Å; L55-F62 HydrophobicContact CB-CZ 4.03Å; L55-F62 WeakPolarHBondContact O-CZ 3.19Å
56R85.6Confident85Confident83 Ų8371.1 Ų71.131%0.31339%0.386SS..EExtended strand (participates in β ladder)trans-101.9130.5176.4-173.9166.9-121-110.91.9109.6D15 S19 L30 S31D15-R56 WeakPolarHBondContact O-CD 3.35Å; D15-R56 PolarHBondContact O-NH1 3.38Å; S19-R56 VanDerWaalsContact CB-O 3.27Å; S19-R56 WeakPolarHBondContact CB-O 3.19Å; S19-R56 PolarHBondContact N-O 3.04Å; S19-R56 PolarHBondContact OG-O 3.42Å; L30-R56 HydrophobicContact CB-CG 3.46Å; L30-R56 VanDerWaalsContact CB-CG 3.46Å; L30-R56 HydrophobicContact CD1-CG 4.15Å; L30-R56 HydrophobicContact CG-CG 4.46Å; S31-R56 CarbonylContact O-C 3.59Å; S31-R56 WeakPolarHBondContact O-CA 3.32Å
57G88.3Confident85.6Confident0 Ų072.7 Ų72.70%039%0.388CS..EExtended strand (participates in β ladder)trans-173.5168.9-171.200000113.5S31 F62S31-G57 PolarHBondContact N-O 3.21Å; S31-G57 PolarHBondContact O-N 2.85Å; S31-G57 PolarHBondContact OG-O 2.95Å; G57-F62 VanDerWaalsContact CA-CE2 3.48Å
58H90.6Very high85.9Confident41 Ų4173.7 Ų73.719%0.1938%0.378CS..  trans-63.3142.8172.7-56.7123.5000110.9C18 T25 L30 D60 C61 F62C18-H58 PolarHBondContact SG-N 3.01Å; T25-H58 WeakPolarHBondContact CG2-NE2 3.24Å; T25-H58 PolarHBondContact OG1-CE1 3.48Å; T25-H58 PolarHBondContact OG1-NE2 2.86Å; T25-H58 VanDerWaalsContact OG1-NE2 3.09Å; L30-H58 VanDerWaalsContact CD2-CD2 3.49Å; L30-H58 WeakPolarHBondContact CD2-CD2 3.13Å; H58-D60 VanDerWaalsContact C-N 3.28Å; H58-D60 PolarHBondContact O-N 2.95Å; H58-C61 HydrophobicContact CB-CB 3.97Å; H58-C61 WeakPolarHBondContact O-CB 3.4Å; H58-C61 PolarHBondContact O-N 3.08Å; H58-C61 VanDerWaalsContact O-N 3.14Å; H58-F62 VanDerWaalsContact O-CD2 3.29Å; H58-F62 WeakPolarHBondContact O-CD2 3.36Å; H58-F62 PolarHBondContact O-N 3.3Å; H58-F62 VanDerWaalsContact O-N 3.16Å
59R89.1Confident86.1Confident156 Ų15672.1 Ų72.159%0.58937%0.37SS*.Hα-helixtrans-52.6-49173.4-177.2-178.7173.6153.22111.3C61 F62 E63R59-C61 VanDerWaalsContact C-N 3.29Å; R59-C61 PolarHBondContact O-N 3.02Å; R59-F62 PolarHBondContact O-N 3.49Å; R59-E63 PolarHBondContact O-N 3.38Å
60D89.6Confident85.8Confident101 Ų10176.6 Ų76.654%0.5439%0.394SS..Hα-helixtrans-64.8-32.7-178.6-59.4-1.1000112.7H58 K64H58-D60 VanDerWaalsContact C-N 3.28Å; H58-D60 PolarHBondContact O-N 2.95Å; D60-K64 WeakPolarHBondContact O-CB 3.26Å; D60-K64 VanDerWaalsContact O-CG 3.28Å; D60-K64 WeakPolarHBondContact O-CG 3.24Å; D60-K64 PolarHBondContact O-N 3.12Å
61C91.4Very high85.7Confident21 Ų2178.5 Ų78.514%0.14240%0.401CS..Hα-helixtrans-65.8-45.4176-75.60000110.8V20 H58 R59 K64 C65V20-C61 HydrophobicContact CB-CB 3.73Å; V20-C61 HydrophobicContact CG1-CB 3.83Å; V20-C61 HydrophobicContact CG2-CB 4.05Å; H58-C61 HydrophobicContact CB-CB 3.97Å; H58-C61 WeakPolarHBondContact O-CB 3.4Å; H58-C61 PolarHBondContact O-N 3.08Å; H58-C61 VanDerWaalsContact O-N 3.14Å; R59-C61 VanDerWaalsContact C-N 3.29Å; R59-C61 PolarHBondContact O-N 3.02Å; C61-K64 PolarHBondContact O-N 3.4Å; C61-C65 PolarHBondContact O-N 3.03Å; C61-C65 PolarHBondContact O-SG 3.43Å
62F91.4Very high84.6Confident0 Ų086 Ų860%043%0.433CS..Hα-helixtrans-65.2-43.3176-68.4-54.6000112.1V20 S31 C33 H51 L55 G57 H58 R59 K64 C65 H66V20-F62 HydrophobicContact CG2-CD1 4.01Å; V20-F62 HydrophobicContact CG2-CE1 3.86Å; S31-F62 WeakPolarHBondContact O-CE2 3.47Å; C33-F62 HydrophobicContact CB-CB 4.44Å; C33-F62 HydrophobicContact CB-CD1 3.8Å; C33-F62 HydrophobicContact CB-CD2 4.04Å; C33-F62 HydrophobicContact CB-CE1 3.97Å; C33-F62 HydrophobicContact CB-CE2 4.19Å; C33-F62 HydrophobicContact CB-CG 3.83Å; C33-F62 HydrophobicContact CB-CZ 4.16Å; H51-F62 AromaticContact CE1-CD1 3.61Å; L55-F62 HydrophobicContact CB-CE1 4.09Å; L55-F62 HydrophobicContact CB-CZ 4.03Å; L55-F62 WeakPolarHBondContact O-CZ 3.19Å; G57-F62 VanDerWaalsContact CA-CE2 3.48Å; H58-F62 VanDerWaalsContact O-CD2 3.29Å; H58-F62 WeakPolarHBondContact O-CD2 3.36Å; H58-F62 PolarHBondContact O-N 3.3Å; H58-F62 VanDerWaalsContact O-N 3.16Å; R59-F62 PolarHBondContact O-N 3.49Å; F62-K64 VanDerWaalsContact C-N 3.33Å; F62-K64 PolarHBondContact O-N 3.18Å; F62-C65 WeakPolarHBondContact O-CB 3.49Å; F62-C65 PolarHBondContact O-N 3.37Å; F62-C65 VanDerWaalsContact O-N 3.15Å; F62-H66 PolarHBondContact O-CD2 3.5Å; F62-H66 VanDerWaalsContact O-CD2 3.25Å; F62-H66 PolarHBondContact O-N 3.49Å
63E89.6Confident83.8Confident96 Ų9687.5 Ų87.545%0.44943%0.433SS..Hα-helixtrans-58.3-46.3177.6-172.8170.1-174.600111.2R59 C65 H66 L67R59-E63 PolarHBondContact O-N 3.38Å; E63-C65 PolarHBondContact O-N 2.87Å; E63-H66 PolarHBondContact O-N 2.86Å; E63-L67 HydrophobicContact CG-CD1 4.14Å; E63-L67 WeakPolarHBondContact O-CB 3.43Å; E63-L67 VanDerWaalsContact O-CG 3.23Å; E63-L67 WeakPolarHBondContact O-CG 3.46Å; E63-L67 PolarHBondContact O-N 2.84Å
64K91.4Very high82.5Confident133 Ų13383.7 Ų83.758%0.57843%0.427SS*.Hα-helixtrans-60.7-43.2173.8-73.3171.9-175.61710112.6D60 C61 F62 H66 L67 I68D60-K64 WeakPolarHBondContact O-CB 3.26Å; D60-K64 VanDerWaalsContact O-CG 3.28Å; D60-K64 WeakPolarHBondContact O-CG 3.24Å; D60-K64 PolarHBondContact O-N 3.12Å; C61-K64 PolarHBondContact O-N 3.4Å; F62-K64 VanDerWaalsContact C-N 3.33Å; F62-K64 PolarHBondContact O-N 3.18Å; K64-H66 VanDerWaalsContact C-N 3.34Å; K64-H66 PolarHBondContact O-N 3.4Å; K64-L67 PolarHBondContact O-N 3.14Å; K64-I68 WeakPolarHBondContact O-CD1 3.49Å; K64-I68 VanDerWaalsContact O-CG1 3.23Å; K64-I68 WeakPolarHBondContact O-CG1 3.37Å; K64-I68 PolarHBondContact O-N 3.24Å
65C88.8Confident81.5Confident37 Ų3787 Ų8725%0.2543%0.433CS..Hα-helixtrans-58.8-45.6176.2-73.90000111.9V20 C61 F62 E63 I68 A69V20-C65 WeakPolarHBondContact CG1-SG 3.23Å; C61-C65 PolarHBondContact O-N 3.03Å; C61-C65 PolarHBondContact O-SG 3.43Å; F62-C65 WeakPolarHBondContact O-CB 3.49Å; F62-C65 PolarHBondContact O-N 3.37Å; F62-C65 VanDerWaalsContact O-N 3.15Å; E63-C65 PolarHBondContact O-N 2.87Å; C65-I68 PolarHBondContact O-N 3.39Å; C65-A69 WeakPolarHBondContact O-CB 3.21Å; C65-A69 PolarHBondContact O-N 3.37Å
66H89.9Confident79.8Confident14 Ų1489 Ų897%0.06545%0.452CS..Hα-helixtrans-66.9-39.1176.5-82.1-88.8000112.2C33 C36 L50 H51 F62 E63 K64 I68 A69 N70C33-H66 PolarHBondContact SG-NE2 2.92Å; C36-H66 PolarHBondContact SG-CE1 3.43Å; C36-H66 PolarHBondContact SG-NE2 3.27Å; C36-H66 VanDerWaalsContact SG-NE2 3.39Å; L50-H66 WeakPolarHBondContact CD1-ND1 3.42Å; H51-H66 AromaticContact CE1-CD2 3.99Å; H51-H66 AromaticContact CE1-NE2 3.6Å; H51-H66 AromaticContact ND1-NE2 3.63Å; F62-H66 PolarHBondContact O-CD2 3.5Å; F62-H66 VanDerWaalsContact O-CD2 3.25Å; F62-H66 PolarHBondContact O-N 3.49Å; E63-H66 PolarHBondContact O-N 2.86Å; K64-H66 VanDerWaalsContact C-N 3.34Å; K64-H66 PolarHBondContact O-N 3.4Å; H66-I68 PolarHBondContact O-N 3.4Å; H66-A69 PolarHBondContact O-N 3.42Å; H66-N70 WeakPolarHBondContact O-CB 3.41Å; H66-N70 VanDerWaalsContact O-CG 3.26Å; H66-N70 PolarHBondContact O-N 3.45Å; H66-N70 PolarHBondContact O-ND2 3.02Å; H66-N70 VanDerWaalsContact O-ND2 3.14Å
67L90.3Very high78.2Confident110 Ų11094 Ų9458%0.57648%0.475SS*.Hα-helixtrans-62-41.8175.5-74.6170.3000112.1E63 K64 Q71E63-L67 HydrophobicContact CG-CD1 4.14Å; E63-L67 WeakPolarHBondContact O-CB 3.43Å; E63-L67 VanDerWaalsContact O-CG 3.23Å; E63-L67 WeakPolarHBondContact O-CG 3.46Å; E63-L67 PolarHBondContact O-N 2.84Å; K64-L67 PolarHBondContact O-N 3.14Å; L67-Q71 PolarHBondContact O-N 3.12Å
68I88.8Confident76.2Confident118 Ų11898.7 Ų98.761%0.60550%0.504SS*.Hα-helixtrans-66.9-45.1177.5-67162.4000110.5K64 C65 H66 N70 Q71K64-I68 WeakPolarHBondContact O-CD1 3.49Å; K64-I68 VanDerWaalsContact O-CG1 3.23Å; K64-I68 WeakPolarHBondContact O-CG1 3.37Å; K64-I68 PolarHBondContact O-N 3.24Å; C65-I68 PolarHBondContact O-N 3.39Å; H66-I68 PolarHBondContact O-N 3.4Å; I68-N70 VanDerWaalsContact C-N 3.35Å; I68-N70 PolarHBondContact O-N 3.25Å; I68-Q71 WeakPolarHBondContact O-CB 3.29Å; I68-Q71 PolarHBondContact O-N 3.39Å
69A85.3Confident74.3Confident52 Ų52101.8 Ų101.843%0.4353%0.53SS..Hα-helixtrans-66.7-36.317900000112.9L50 C65 H66 Q71L50-A69 HydrophobicContact CD1-CB 3.28Å; L50-A69 HydrophobicContact CD2-CB 3.71Å; L50-A69 HydrophobicContact CG-CB 4.15Å; C65-A69 WeakPolarHBondContact O-CB 3.21Å; C65-A69 PolarHBondContact O-N 3.37Å; H66-A69 PolarHBondContact O-N 3.42Å; A69-Q71 VanDerWaalsContact C-N 3.25Å; A69-Q71 PolarHBondContact O-N 2.89Å
70N79.4Confident72.8Confident117 Ų117103.9 Ų103.963%0.62654%0.538SS*.THydrogen-bonded Turntrans-83.2-1.7176.7-70.5-33.7000113.2H66 I68 K72H66-N70 WeakPolarHBondContact O-CB 3.41Å; H66-N70 VanDerWaalsContact O-CG 3.26Å; H66-N70 PolarHBondContact O-N 3.45Å; H66-N70 PolarHBondContact O-ND2 3.02Å; H66-N70 VanDerWaalsContact O-ND2 3.14Å; I68-N70 VanDerWaalsContact C-N 3.35Å; I68-N70 PolarHBondContact O-N 3.25Å; N70-K72 VanDerWaalsContact C-N 3.26Å; N70-K72 PolarHBondContact O-N 3.35Å
71Q82.6Confident71.5Confident130 Ų130101 Ų10161%0.60753%0.526SS*.  trans-64.895.3170.9-166172.845.700107.2L67 I68 A69 L73L67-Q71 PolarHBondContact O-N 3.12Å; I68-Q71 WeakPolarHBondContact O-CB 3.29Å; I68-Q71 PolarHBondContact O-N 3.39Å; A69-Q71 VanDerWaalsContact C-N 3.25Å; A69-Q71 PolarHBondContact O-N 2.89Å; Q71-L73 VanDerWaalsContact C-N 3.31Å; Q71-L73 PolarHBondContact O-N 2.64Å
72K63.6Low70.4Confident189 Ų189104.8 Ų104.882%0.82256%0.559SS**  trans-55105.3164.9-67.6-177.2-178.3178.30104.7N70 S74N70-K72 VanDerWaalsContact C-N 3.26Å; N70-K72 PolarHBondContact O-N 3.35Å; K72-S74 PolarHBondContact O-N 3.15Å
73L54.3Low69.6Low128 Ų128111.8 Ų111.867%0.6759%0.586SS**  trans-57.492.1165.7-68.7173.8000104.3Q71 H75Q71-L73 VanDerWaalsContact C-N 3.31Å; Q71-L73 PolarHBondContact O-N 2.64Å; L73-H75 PolarHBondContact O-CD2 3.18Å; L73-H75 VanDerWaalsContact O-CD2 3.22Å; L73-H75 PolarHBondContact O-N 3.02Å
74S48.4Very low69.1Low87 Ų87110.3 Ų110.361%0.60858%0.579SS**  trans-62.799.3172.851.50000103.6K72 S76K72-S74 PolarHBondContact O-N 3.15Å; S74-S76 PolarHBondContact O-N 3.41Å
75H49.8Very low68.3Low158 Ų158106.5 Ų106.573%0.73158%0.578SS**G310 helixtrans-5910.3173.6-69.9-82.4000112.2L73 K77L73-H75 PolarHBondContact O-CD2 3.18Å; L73-H75 VanDerWaalsContact O-CD2 3.22Å; L73-H75 PolarHBondContact O-N 3.02Å; H75-K77 VanDerWaalsContact C-N 3.26Å; H75-K77 PolarHBondContact O-N 3.21Å
76S47.9Very low68Low99 Ų99110.6 Ų110.669%0.69260%0.595SS**G310 helixtrans-70.5-15.6176.480.90000114S74S74-S76 PolarHBondContact O-N 3.41Å
77K51.2Low67.7Low187 Ų187116.4 Ų116.481%0.81362%0.62SS**G310 helixtrans-144.581.1165.3-65.4-177.7-176.3171.60108.5H75 S79H75-K77 VanDerWaalsContact C-N 3.26Å; H75-K77 PolarHBondContact O-N 3.21Å; K77-S79 PolarHBondContact O-N 3.4Å
78V47Very low67.5Low99 Ų99115.7 Ų115.760%0.662%0.616SS**  trans-5399.7148.4173.80000104.6R80V78-R80 PolarHBondContact O-N 2.96Å
79S50.7Low67.4Low106 Ų106112.5 Ų112.574%0.74161%0.607SS**  trans-50.298.1155.1173.90000103.8K77 S81K77-S79 PolarHBondContact O-N 3.4Å; S79-S81 VanDerWaalsContact C-N 3.31Å; S79-S81 PolarHBondContact O-N 3.49Å
80R57.3Low67.6Low199 Ų199115 Ų11575%0.75161%0.613SS**  trans-51.9110.9169.3-81.9-164.9157.9150.9-3.2103.6V78 A82 E84V78-R80 PolarHBondContact O-N 2.96Å; R80-A82 PolarHBondContact O-N 2.98Å; R80-E84 WeakPolarHBondContact CA-OE2 3.45Å; R80-E84 VanDerWaalsContact CB-OE2 3.24Å; R80-E84 WeakPolarHBondContact CB-OE2 3.23Å; R80-E84 WeakPolarHBondContact CG-OE2 3.42Å
81S62.9Low68.1Low41 Ų41111.9 Ų111.929%0.28760%0.601SS.*  trans-51.6132.6176.4175.10000105.6S79 Y83 E84S79-S81 VanDerWaalsContact C-N 3.31Å; S79-S81 PolarHBondContact O-N 3.49Å; S81-Y83 PolarHBondContact O-N 3.25Å; S81-Y83 PolarHBondContact OG-N 3.41Å; S81-E84 VanDerWaalsContact O-CB 3.29Å; S81-E84 WeakPolarHBondContact O-CB 3.4Å; S81-E84 PolarHBondContact O-N 3.18Å
82A67.1Low68.6Low101 Ų101111 Ų11184%0.83560%0.597SS**THydrogen-bonded Turntrans-51.8-18.8174.900000112R80R80-A82 PolarHBondContact O-N 2.98Å
83Y75.3Confident69.8Low147 Ų147108.9 Ų108.958%0.57659%0.587SS**THydrogen-bonded Turntrans-103.511.7177.5-57.6-79.4000114.8S81 G85 M86 K87S81-Y83 PolarHBondContact O-N 3.25Å; S81-Y83 PolarHBondContact OG-N 3.41Å; Y83-G85 VanDerWaalsContact C-N 3.27Å; Y83-G85 PolarHBondContact O-N 3.46Å; Y83-M86 HydrophobicContact CD1-CE 3.88Å; Y83-M86 HydrophobicContact CD1-SD 4.02Å; Y83-M86 HydrophobicContact CE1-CE 4.28Å; Y83-M86 CarbonylContact O-C 3.51Å; Y83-M86 WeakPolarHBondContact O-CA 3.35Å; Y83-M86 VanDerWaalsContact O-CB 3.32Å; Y83-M86 WeakPolarHBondContact O-CB 3.46Å; Y83-M86 PolarHBondContact O-N 3.05Å; Y83-K87 PolarHBondContact O-N 3.31Å
84E78.9Confident71.6Confident64 Ų64107 Ų10730%0.29958%0.577SS.*Hα-helixtrans-57.9-40.5-178.7-174.1173.6153.800111.9R80 S81 M86 K87 L88R80-E84 WeakPolarHBondContact CA-OE2 3.45Å; R80-E84 VanDerWaalsContact CB-OE2 3.24Å; R80-E84 WeakPolarHBondContact CB-OE2 3.23Å; R80-E84 WeakPolarHBondContact CG-OE2 3.42Å; S81-E84 VanDerWaalsContact O-CB 3.29Å; S81-E84 WeakPolarHBondContact O-CB 3.4Å; S81-E84 PolarHBondContact O-N 3.18Å; E84-M86 VanDerWaalsContact C-N 3.28Å; E84-M86 PolarHBondContact O-N 3.46Å; E84-K87 PolarHBondContact O-N 3.29Å; E84-L88 HydrophobicContact CG-CD1 4.43Å; E84-L88 WeakPolarHBondContact O-CB 3.32Å; E84-L88 WeakPolarHBondContact O-CG 3.22Å; E84-L88 PolarHBondContact O-N 2.91Å
85G75.6Confident73.7Confident54 Ų54106.6 Ų106.656%0.55757%0.569SS**Hα-helixtrans-61.4-35171.400000113.1Y83 A89Y83-G85 VanDerWaalsContact C-N 3.27Å; Y83-G85 PolarHBondContact O-N 3.46Å; G85-A89 VanDerWaalsContact O-CB 3.29Å; G85-A89 WeakPolarHBondContact O-CB 3.48Å; G85-A89 PolarHBondContact O-N 2.97Å
86M82.8Confident75.5Confident122 Ų122107.2 Ų107.260%0.60156%0.564SS**Hα-helixtrans-74.2-39177-166.6-179.8-67.500111.9Y83 E84 L88 A89 L90Y83-M86 HydrophobicContact CD1-CE 3.88Å; Y83-M86 HydrophobicContact CD1-SD 4.02Å; Y83-M86 HydrophobicContact CE1-CE 4.28Å; Y83-M86 CarbonylContact O-C 3.51Å; Y83-M86 WeakPolarHBondContact O-CA 3.35Å; Y83-M86 VanDerWaalsContact O-CB 3.32Å; Y83-M86 WeakPolarHBondContact O-CB 3.46Å; Y83-M86 PolarHBondContact O-N 3.05Å; E84-M86 VanDerWaalsContact C-N 3.28Å; E84-M86 PolarHBondContact O-N 3.46Å; M86-L88 VanDerWaalsContact C-N 3.34Å; M86-A89 PolarHBondContact O-N 3.24Å; M86-L90 VanDerWaalsContact O-CB 3.24Å; M86-L90 WeakPolarHBondContact O-CB 3.45Å; M86-L90 PolarHBondContact O-N 3.15Å
87K83.4Confident77.3Confident136 Ų136107.6 Ų107.659%0.59156%0.558SS**Hα-helixtrans-61.4-43.5173.1-71.3-176.2178.6-175.50110.9Y83 E84 S91Y83-K87 PolarHBondContact O-N 3.31Å; E84-K87 PolarHBondContact O-N 3.29Å; K87-S91 WeakPolarHBondContact O-CB 3.44Å; K87-S91 PolarHBondContact O-N 3.47Å
88L85.9Confident79.2Confident95 Ų95102.4 Ų102.450%0.49754%0.538SS..Hα-helixtrans-66.6-43.9175.9-71.8171.8000111.9E84 M86 L90 S91 Q92E84-L88 HydrophobicContact CG-CD1 4.43Å; E84-L88 WeakPolarHBondContact O-CB 3.32Å; E84-L88 WeakPolarHBondContact O-CG 3.22Å; E84-L88 PolarHBondContact O-N 2.91Å; M86-L88 VanDerWaalsContact C-N 3.34Å; L88-L90 PolarHBondContact O-N 3.41Å; L88-S91 PolarHBondContact O-N 2.99Å; L88-Q92 WeakPolarHBondContact O-CB 3.42Å; L88-Q92 WeakPolarHBondContact O-CG 3.29Å; L88-Q92 PolarHBondContact O-N 3.39Å
89A86.3Confident81Confident51 Ų51102.9 Ų102.942%0.42153%0.534SS..Hα-helixtrans-63.6-40.717700000112.4G85 M86 K93G85-A89 VanDerWaalsContact O-CB 3.29Å; G85-A89 WeakPolarHBondContact O-CB 3.48Å; G85-A89 PolarHBondContact O-N 2.97Å; M86-A89 PolarHBondContact O-N 3.24Å; A89-K93 PolarHBondContact O-N 3.07Å
90L89.3Confident82.5Confident104 Ų104105 Ų10555%0.54553%0.53SS..Hα-helixtrans-66.8-46.5175.4-178.963000111.1M86 L88 Q92 K93 L94M86-L90 VanDerWaalsContact O-CB 3.24Å; M86-L90 WeakPolarHBondContact O-CB 3.45Å; M86-L90 PolarHBondContact O-N 3.15Å; L88-L90 PolarHBondContact O-N 3.41Å; L90-Q92 VanDerWaalsContact C-N 3.33Å; L90-Q92 PolarHBondContact O-N 2.95Å; L90-K93 PolarHBondContact O-N 2.92Å; L90-K93 VanDerWaalsContact O-N 3.16Å; L90-L94 HydrophobicContact CD1-CD1 4.49Å; L90-L94 HydrophobicContact CD1-CG 4.46Å; L90-L94 HydrophobicContact CG-CD1 4.14Å; L90-L94 WeakPolarHBondContact O-CG 3.44Å; L90-L94 PolarHBondContact O-N 2.98Å
91S90.5Very high83.6Confident53 Ų5398.2 Ų98.237%0.37152%0.516SS..Hα-helixtrans-55.6-46.3174.5164.40000111.7K87 L88 K93 L94 N95K87-S91 WeakPolarHBondContact O-CB 3.44Å; K87-S91 PolarHBondContact O-N 3.47Å; L88-S91 PolarHBondContact O-N 2.99Å; S91-K93 PolarHBondContact O-N 3.05Å; S91-L94 PolarHBondContact O-N 2.98Å; S91-N95 WeakPolarHBondContact O-CB 3.28Å; S91-N95 PolarHBondContact O-N 3.38Å; S91-N95 PolarHBondContact O-ND2 3.36Å
92Q91.9Very high84.3Confident112 Ų112102.4 Ų102.452%0.52353%0.531SS..Hα-helixtrans-64.2-39.2177-75.91783.600112.3L88 L90 R96L88-Q92 WeakPolarHBondContact O-CB 3.42Å; L88-Q92 WeakPolarHBondContact O-CG 3.29Å; L88-Q92 PolarHBondContact O-N 3.39Å; L90-Q92 VanDerWaalsContact C-N 3.33Å; L90-Q92 PolarHBondContact O-N 2.95Å; Q92-R96 WeakPolarHBondContact O-CG 3.41Å; Q92-R96 PolarHBondContact O-N 3.08Å
93K90.4Very high84.1Confident143 Ų143102.2 Ų102.262%0.62252%0.516SS*.Hα-helixtrans-65-44.9174.3-80.4-171.9175-174.70111.9A89 L90 S91 R96 I97A89-K93 PolarHBondContact O-N 3.07Å; L90-K93 PolarHBondContact O-N 2.92Å; L90-K93 VanDerWaalsContact O-N 3.16Å; S91-K93 PolarHBondContact O-N 3.05Å; K93-R96 PolarHBondContact O-N 3.48Å; K93-I97 VanDerWaalsContact O-CG1 3.3Å; K93-I97 WeakPolarHBondContact O-CG1 3.27Å; K93-I97 PolarHBondContact O-N 3.08Å
94L91.9Very high83.1Confident88 Ų88102.5 Ų102.546%0.46152%0.521SS..Hα-helixtrans-60.8-45.1176-72.7172000111L90 S91 R96 I97 I98L90-L94 HydrophobicContact CD1-CD1 4.49Å; L90-L94 HydrophobicContact CD1-CG 4.46Å; L90-L94 HydrophobicContact CG-CD1 4.14Å; L90-L94 WeakPolarHBondContact O-CG 3.44Å; L90-L94 PolarHBondContact O-N 2.98Å; S91-L94 PolarHBondContact O-N 2.98Å; L94-R96 VanDerWaalsContact C-N 3.32Å; L94-R96 PolarHBondContact O-N 3.24Å; L94-I97 WeakPolarHBondContact O-CB 3.46Å; L94-I97 PolarHBondContact O-N 3.36Å; L94-I97 VanDerWaalsContact O-N 3.1Å; L94-I98 VanDerWaalsContact O-CG1 3.23Å; L94-I98 WeakPolarHBondContact O-CG1 3.41Å; L94-I98 PolarHBondContact O-N 3.38Å
95N91Very high81.8Confident80 Ų80106.1 Ų106.143%0.42854%0.542SS..Hα-helixtrans-61.6-38.1175.6-79.1-36.9000112.6S91 I98 Q99S91-N95 WeakPolarHBondContact O-CB 3.28Å; S91-N95 PolarHBondContact O-N 3.38Å; S91-N95 PolarHBondContact O-ND2 3.36Å; N95-I98 PolarHBondContact O-N 3.16Å; N95-Q99 WeakPolarHBondContact O-CB 2.94Å; N95-Q99 VanDerWaalsContact O-CG 3.26Å; N95-Q99 WeakPolarHBondContact O-CG 3.43Å; N95-Q99 PolarHBondContact O-N 3.45Å
96R87.4Confident80.4Confident170 Ų170107.5 Ų107.564%0.64254%0.543SS*.Hα-helixtrans-65.4-37.9172.7-75177.9-173.7168.54.1112.5Q92 K93 L94 F100Q92-R96 WeakPolarHBondContact O-CG 3.41Å; Q92-R96 PolarHBondContact O-N 3.08Å; K93-R96 PolarHBondContact O-N 3.48Å; L94-R96 VanDerWaalsContact C-N 3.32Å; L94-R96 PolarHBondContact O-N 3.24Å; R96-F100 VanDerWaalsContact O-CB 3.24Å; R96-F100 WeakPolarHBondContact O-CB 3.38Å; R96-F100 PolarHBondContact O-N 3.16Å
97I87.6Confident78.6Confident108 Ų108109.6 Ų109.655%0.55456%0.556SS**Hα-helixtrans-66.4-44.9175.7-67.5163000110.2K93 L94 F100 A101K93-I97 VanDerWaalsContact O-CG1 3.3Å; K93-I97 WeakPolarHBondContact O-CG1 3.27Å; K93-I97 PolarHBondContact O-N 3.08Å; L94-I97 WeakPolarHBondContact O-CB 3.46Å; L94-I97 PolarHBondContact O-N 3.36Å; L94-I97 VanDerWaalsContact O-N 3.1Å; I97-F100 PolarHBondContact O-N 3.14Å; I97-A101 WeakPolarHBondContact O-CB 3.03Å; I97-A101 PolarHBondContact O-N 3.2Å
98I89.6Confident76.9Confident77 Ų77108.3 Ų108.340%0.39556%0.564SS.*Hα-helixtrans-60.7-48.3176.8-67.3164.1000109.9L94 N95 F100 A101 Q102L94-I98 VanDerWaalsContact O-CG1 3.23Å; L94-I98 WeakPolarHBondContact O-CG1 3.41Å; L94-I98 PolarHBondContact O-N 3.38Å; N95-I98 PolarHBondContact O-N 3.16Å; I98-F100 VanDerWaalsContact C-N 3.32Å; I98-F100 PolarHBondContact O-N 3.48Å; I98-A101 PolarHBondContact O-N 3.07Å; I98-Q102 HydrophobicContact CG2-CG 4.32Å; I98-Q102 WeakPolarHBondContact O-CB 3.19Å; I98-Q102 VanDerWaalsContact O-CG 3.24Å; I98-Q102 WeakPolarHBondContact O-CG 3.49Å; I98-Q102 PolarHBondContact O-N 2.7Å
99Q84.6Confident74.9Confident110 Ų110109.4 Ų109.451%0.51458%0.58SS.*Hα-helixtrans-61.5-39.2175.3-75.1175.33.100112.1N95 N103N95-Q99 WeakPolarHBondContact O-CB 2.94Å; N95-Q99 VanDerWaalsContact O-CG 3.26Å; N95-Q99 WeakPolarHBondContact O-CG 3.43Å; N95-Q99 PolarHBondContact O-N 3.45Å; Q99-N103 WeakPolarHBondContact O-CB 3.35Å; Q99-N103 VanDerWaalsContact O-CG 3.26Å; Q99-N103 PolarHBondContact O-N 3.35Å; Q99-N103 PolarHBondContact O-ND2 2.86Å
100F82.8Confident72.4Confident149 Ų149112.7 Ų112.765%0.65460%0.599SS**Hα-helixtrans-68.3-38.4177.8-173.1-96.8000112.1R96 I97 I98 K104R96-F100 VanDerWaalsContact O-CB 3.24Å; R96-F100 WeakPolarHBondContact O-CB 3.38Å; R96-F100 PolarHBondContact O-N 3.16Å; I97-F100 PolarHBondContact O-N 3.14Å; I98-F100 VanDerWaalsContact C-N 3.32Å; I98-F100 PolarHBondContact O-N 3.48Å; F100-K104 WeakPolarHBondContact O-CB 3.44Å; F100-K104 PolarHBondContact O-N 2.98Å
101A79.9Confident69.9Low57 Ų57111.1 Ų111.147%0.47161%0.608SS.*Hα-helixtrans-68.1-42.7175.400000111.6I97 I98I97-A101 WeakPolarHBondContact O-CB 3.03Å; I97-A101 PolarHBondContact O-N 3.2Å; I98-A101 PolarHBondContact O-N 3.07Å
102Q77.7Confident67Low129 Ų129114.9 Ų114.960%0.60363%0.633SS**Hα-helixtrans-71.9-38.3180-71.4173.6-17.300112.9I98 K104I98-Q102 HydrophobicContact CG2-CG 4.32Å; I98-Q102 WeakPolarHBondContact O-CB 3.19Å; I98-Q102 VanDerWaalsContact O-CG 3.24Å; I98-Q102 WeakPolarHBondContact O-CG 3.49Å; I98-Q102 PolarHBondContact O-N 2.7Å; Q102-K104 VanDerWaalsContact C-N 3.28Å; Q102-K104 PolarHBondContact O-N 3.19Å
103N63.5Low64.1Low97 Ų97114 Ų11452%0.51965%0.645SS.*Hα-helixtrans-80.2-6.6178.8-69.5-54000113.4Q99 D105 S106Q99-N103 WeakPolarHBondContact O-CB 3.35Å; Q99-N103 VanDerWaalsContact O-CG 3.26Å; Q99-N103 PolarHBondContact O-N 3.35Å; Q99-N103 PolarHBondContact O-ND2 2.86Å; N103-D105 PolarHBondContact O-N 2.79Å; N103-S106 PolarHBondContact O-N 3.24Å
104K54.8Low62Low153 Ų153118.6 Ų118.667%0.66566%0.659SS**THydrogen-bonded Turntrans-71.8-21.8178.2-134.3-162.9173.9-162.70113F100 Q102F100-K104 WeakPolarHBondContact O-CB 3.44Å; F100-K104 PolarHBondContact O-N 2.98Å; Q102-K104 VanDerWaalsContact C-N 3.28Å; Q102-K104 PolarHBondContact O-N 3.19Å
105D49.8Very low59.3Low141 Ų141126.2 Ų126.275%0.75468%0.681SS**THydrogen-bonded Turntrans-99.8-2.1-179.2-60.1-31000112.8N103N103-D105 PolarHBondContact O-N 2.79Å
106S47.6Very low56.4Low83 Ų83125.8 Ų125.858%0.5870%0.696SS**SBendtrans-96.72.1-178-50.20000115N103N103-S106 PolarHBondContact O-N 3.24Å
107L45.4Very low54.4Low166 Ų166123 Ų12387%0.86971%0.71SS**  trans-11037.5176.6-65.6177.7000113
108S47.7Very low52.3Low108 Ų108126.3 Ų126.376%0.75572%0.72SS**  trans-96.3122.6157.6-176.90000108.7
109S43.3Very low49.9Very low119 Ų119131.4 Ų131.483%0.83275%0.747SS**SBendtrans9179.8176.8-155.80000116.8
110S34.6Very low47.6Very low119 Ų119133 Ų13383%0.83276%0.758SS**  trans-179.1120.4130.9168.50000108.6
111G36.3Very low45.2Very low71 Ų71131.6 Ų131.673%0.73277%0.766SS**  trans-72.3168.4-167.800000116.7
112C28.3Very low42.9Very low132 Ų132138.5 Ų138.589%0.89278%0.781SS**  trans70.5101156.9-151.70000118.4
113A31.4Very low40.6Very low94 Ų94137.7 Ų137.778%0.77779%0.79SS**  155.6137.4107.900000112.3
114R45.7Very low39.5Very low240 Ų240140.7 Ų140.791%0.90680%0.8SS**  trans-39.8132.6176.5-59.5168.8-149.8176.66114.1
115R36.1Very low38.4Very low247 Ų247142.3 Ų142.393%0.93281%0.81SS**  -172.8116.1122.9-107.7175.5-75.8-139.53.8113.3
116G30.8Very low37.6Very low71 Ų71139.3 Ų139.373%0.73281%0.812SS**  trans28.1114.7143.800000120.3K118G116-K118 PolarHBondContact O-N 3.04Å
117A44.7Very low36.7Very low113 Ų113142.7 Ų142.793%0.93482%0.819SS**  trans-48.6118.2151.500000111.1
118K42.8Very low36.6Very low176 Ų176147 Ų14777%0.76582%0.824SS**  trans-139.176.2165.2-153.2173.1-171.8177.20108.9G116 L120G116-K118 PolarHBondContact O-N 3.04Å; K118-L120 HydrophobicContact CD-CD1 4.45Å; K118-L120 HydrophobicContact CG-CD1 4.26Å; K118-L120 HydrophobicContact CG-CG 4.31Å
119L40Very low36.2Very low185 Ų185149.4 Ų149.497%0.96982%0.821SS**  trans-91.194.5163.3-85.4158.6000107.3
120L36.5Very low36.3Very low142 Ų142152.2 Ų152.274%0.74383%0.826SS**  trans-90119.5166.4-76.5165.6000108.2K118K118-L120 HydrophobicContact CD-CD1 4.45Å; K118-L120 HydrophobicContact CG-CD1 4.26Å; K118-L120 HydrophobicContact CG-CG 4.31Å
121C32.1Very low36.4Very low121 Ų121154.3 Ų154.382%0.81883%0.826SS**  trans-82.3148.4156.1-83.30000109.7
122Y32Very low36.4Very low202 Ų202156.1 Ų156.179%0.79283%0.825SS**  trans86.397.4154.2-127.2-100.5000118.3Q124Y122-Q124 HydrophobicContact CD1-CB 4.41Å; Y122-Q124 HydrophobicContact CE1-CB 4.02Å
123S28.1Very low37.2Very low112 Ų112159.5 Ų159.578%0.78383%0.828SS**  trans-121.7119145.9176.10000108.3
124Q41.6Very low37.5Very low159 Ų159160 Ų16074%0.74383%0.826SS**  trans-87.8114169.5177.1-174.471.900106.8Y122Y122-Q124 HydrophobicContact CD1-CB 4.41Å; Y122-Q124 HydrophobicContact CE1-CB 4.02Å
125Q32.3Very low37.4Very low188 Ų188156.9 Ų156.988%0.87983%0.827SS**  trans-154.6123.6160.5-128.6175.112.500110.1
126G32.5Very low37.8Very low77 Ų77148.6 Ų148.679%0.79481%0.811SS**  trans-82.1161-164.100000115.9
127E28.5Very low38.9Very low154 Ų154154.6 Ų154.672%0.7282%0.82SS**  trans-121.4104.9153.7-90.7-10414500106.8K129E127-K129 PolarHBondContact O-N 2.74Å; E127-K129 IonicContact OE1-NZ 3.64Å; E127-K129 WeakPolarHBondContact OE2-CD 3.23Å; E127-K129 WeakPolarHBondContact OE2-CE 3.46Å; E127-K129 IonicContact OE2-NZ 2.76Å; E127-K129 PolarHBondContact OE2-NZ 2.82Å
128R43.4Very low38.9Very low256 Ų256154.3 Ų154.397%0.96681%0.807SS**  trans-76.293.3169.4-164.4-177.9-169.1-152.13.9106.8
129K38.2Very low38.8Very low159 Ų159150.9 Ų150.969%0.69180%0.803SS**  trans-133.4109.1166.7-78.8-179.1-176.71380110.8E127E127-K129 PolarHBondContact O-N 2.74Å; E127-K129 IonicContact OE1-NZ 3.64Å; E127-K129 WeakPolarHBondContact OE2-CD 3.23Å; E127-K129 WeakPolarHBondContact OE2-CE 3.46Å; E127-K129 IonicContact OE2-NZ 2.76Å; E127-K129 PolarHBondContact OE2-NZ 2.82Å
130L45.8Very low39.4Very low179 Ų179153.1 Ų153.194%0.93780%0.798SS**  trans-5116161.8-57.1167.6000116
131L36.5Very low39.7Very low162 Ų162157.1 Ų157.185%0.84881%0.805SS**  trans-80.6147.1165-83.2159.5000110.1Q133L131-Q133 PolarHBondContact O-N 3.27Å
132P36.3Very low40.3Very low109 Ų109155 Ų15571%0.70880%0.796SS**  trans-66.7126.6171.7-8.523.8000109.5S134P132-S134 PolarHBondContact O-N 2.96Å; P132-S134 VanDerWaalsContact O-N 3.16Å
133Q46Very low40.5Very low203 Ų203150.9 Ų150.995%0.94979%0.794SS**  trans-62.8112.2163.9-81-179-70.600108.1L131L131-Q133 PolarHBondContact O-N 3.27Å
134S37.9Very low41.2Very low105 Ų105150.6 Ų150.673%0.73479%0.791SS**  trans-101120166.7-69.40000109.4P132 A136P132-S134 PolarHBondContact O-N 2.96Å; P132-S134 VanDerWaalsContact O-N 3.16Å; S134-A136 PolarHBondContact O-N 3.4Å
135D44.3Very low41Very low175 Ų175154.8 Ų154.894%0.93680%0.8SS**  trans-71.562.2177.3-98.9-27.6000112.5
136A44.5Very low41.2Very low72 Ų72151.7 Ų151.760%0.59579%0.79SS**  trans-100.8100.9172.300000109.9S134 V138S134-A136 PolarHBondContact O-N 3.4Å; A136-V138 PolarHBondContact O-N 2.9Å
137Q52.5Low41.8Very low198 Ų198159.8 Ų159.893%0.92580%0.796SS**  trans-70.471.6168.7-70.6-169.5-7.700110.9
138V45.1Very low42.6Very low107 Ų107156.1 Ų156.165%0.64879%0.792SS**  trans-121.9118.7170-170.20000108.3A136 R140A136-V138 PolarHBondContact O-N 2.9Å; V138-R140 PolarHBondContact O-N 3.37Å
139P41.6Very low42.4Very low104 Ų104155.5 Ų155.568%0.67579%0.79SS**  trans-59.3109.8177.9-23.934000110.9Y141P139-Y141 HydrophobicContact CB-CE2 4.17Å; P139-Y141 PolarHBondContact O-N 3.02Å
140R52.6Low42.6Very low232 Ų232152.8 Ų152.888%0.87580%0.797SS**  trans-87.2101.1174.9-68.2-167.9-177.4-174.72.6109.3V138 A142V138-R140 PolarHBondContact O-N 3.37Å; R140-A142 PolarHBondContact O-N 2.93Å; R140-A142 VanDerWaalsContact O-N 3.15Å
141Y42.2Very low42.5Very low226 Ų226151.1 Ų151.189%0.88680%0.795SS**  trans-79.489163.6-70.5-86.2000108.9P139P139-Y141 HydrophobicContact CB-CE2 4.17Å; P139-Y141 PolarHBondContact O-N 3.02Å
142A44.9Very low43.2Very low76 Ų76147 Ų14763%0.62879%0.792SS**  trans-112.9131.6162.700000107.9R140 C144R140-A142 PolarHBondContact O-N 2.93Å; R140-A142 VanDerWaalsContact O-N 3.15Å; A142-C144 PolarHBondContact O-N 3.32Å
143P35.3Very low43.3Very low115 Ų115150 Ų15075%0.74780%0.8SS**  trans-63.7106.5174.7-17.530.1000109.6W145P143-W145 PolarHBondContact O-N 3.41Å
144C44.1Very low43.3Very low107 Ų107144.3 Ų144.372%0.72378%0.781SS**  trans-8699.2177.1-175.40000108.7A142 D146A142-C144 PolarHBondContact O-N 3.32Å; C144-D146 PolarHBondContact O-N 3.28Å; C144-D146 VanDerWaalsContact O-N 3.08Å; C144-D146 VanDerWaalsContact SG-CB 3.53Å
145W37.4Very low43.9Very low246 Ų246143.9 Ų143.993%0.93278%0.784SS**  trans-82.164.8169.5-64.794.2000109.8P143P143-W145 PolarHBondContact O-N 3.41Å
146D35.6Very low44.4Very low124 Ų124145.5 Ų145.566%0.66378%0.778SS**  trans-109.893.7175.9-147.3-1.5000110C144 A148C144-D146 PolarHBondContact O-N 3.28Å; C144-D146 VanDerWaalsContact O-N 3.08Å; C144-D146 VanDerWaalsContact SG-CB 3.53Å; D146-A148 PolarHBondContact O-N 3.33Å
147R44.8Very low44.5Very low246 Ų246145.1 Ų145.193%0.92878%0.776SS**  trans-81.667.4174.1-172.9-168.3-94.3-137.4-1.8109
148A46.4Very low44.3Very low77 Ų77138.7 Ų138.764%0.63676%0.756SS**SBendtrans17472.1156.800000111D146D146-A148 PolarHBondContact O-N 3.33Å
149R38.7Very low44.3Very low243 Ų243136.9 Ų136.992%0.91776%0.759SS**  trans-165.780.2145.6-74.8-142.3-179.5-135.5-4110.1
150A42.2Very low44.4Very low103 Ų103140.8 Ų140.885%0.85177%0.771SS**  trans-99.588.4162.500000108.1
151T43.2Very low44.1Very low144 Ų144135.6 Ų135.688%0.88376%0.76SS**  trans-147.1105.9162.3-46.30000108.6
152G52.2Low44.4Very low76 Ų76132.6 Ų132.678%0.78475%0.754SS**  trans105.986.9165.400000115
153L38.5Very low44.4Very low170 Ų170134.6 Ų134.689%0.8976%0.763SS**  trans-127.7143.1157-100.5145.1000109.5
154P45.8Very low44.8Very low84 Ų84136.9 Ų136.955%0.54576%0.764SS.*  trans-80.3155.1-163.7-6.724.4000114Y156P154-Y156 HydrophobicContact CB-CD1 4.43Å; P154-Y156 PolarHBondContact O-N 3.22Å
155A51Low44.9Very low96 Ų96134.8 Ų134.879%0.79375%0.748SS**G310 helixtrans-61.3-7-168.100000117.8
156Y53.2Low45.2Very low209 Ų209126.9 Ų126.982%0.8274%0.735SS**G310 helixtrans-85.5-13.3-176.286.1-88.2000114.2P154 A158P154-Y156 HydrophobicContact CB-CD1 4.43Å; P154-Y156 PolarHBondContact O-N 3.22Å; Y156-A158 VanDerWaalsContact C-N 3.32Å
157A47.2Very low45.6Very low65 Ų65129.3 Ų129.354%0.53774%0.742SS.*G310 helixtrans-84.9-3.5175.800000113.6G159A157-G159 VanDerWaalsContact C-N 3.33Å; A157-G159 PolarHBondContact O-N 2.85Å
158A47.2Very low45.5Very low63 Ų63124 Ų12452%0.52173%0.728SS.*THydrogen-bonded Turntrans-73.6-17.4-172.900000114.5Y156Y156-A158 VanDerWaalsContact C-N 3.32Å
159G46.4Very low45.6Very low69 Ų69124.3 Ų124.371%0.71172%0.722SS**THydrogen-bonded Turntrans-94.1-6.5-172.500000116.7A157A157-G159 VanDerWaalsContact C-N 3.33Å; A157-G159 PolarHBondContact O-N 2.85Å
160M42.8Very low45.8Very low186 Ų186119.4 Ų119.492%0.91671%0.709SS**SBendtrans-111.95.3-173.4-78.2-171.167.500114.7
161L47.1Very low45.9Very low122 Ų122120.8 Ų120.864%0.63970%0.702SS**SBendtrans-128.230.5-177.3-15879.5000113T165L161-T165 HydrophobicContact CD1-CG2 4.01Å; L161-T165 HydrophobicContact CG-CG2 4.02Å; L161-T165 PolarHBondContact O-OG1 3.18Å
162E48.4Very low45.9Very low164 Ų164119.9 Ų119.977%0.76669%0.691SS**SBendtrans-115.420.4-177.7-74.9-173.7153.900114.1
163S44.4Very low45.3Very low118 Ų118126.3 Ų126.383%0.82569%0.692SS**SBendtrans-133.86176.2-52.20000116.8
164Q43.5Very low45.2Very low162 Ų162125.5 Ų125.576%0.75768%0.683SS**SBendtrans-143.77.8179.5-73-173.22.100116.9
165T46.7Very low44.9Very low64 Ų64126.6 Ų126.639%0.39369%0.693SS.*SBendtrans-113.12.5-168.445.80000116.2L161 V169L161-T165 HydrophobicContact CD1-CG2 4.01Å; L161-T165 HydrophobicContact CG-CG2 4.02Å; L161-T165 PolarHBondContact O-OG1 3.18Å; T165-V169 WeakPolarHBondContact O-CG2 3.3Å
166A44.3Very low44.3Very low80 Ų80130.3 Ų130.366%0.66169%0.694SS**SBendtrans-87.4-39.8179.700000113.3
167E44.4Very low43.5Very low174 Ų174124 Ų12481%0.81369%0.685SS**Hα-helixtrans-90.1-23.4-174.9-68.4172.3155.500113.4
168E42.8Very low42.9Very low134 Ų134128.2 Ų128.263%0.62670%0.699SS**Hα-helixtrans-84.5-21.5-179.8-161.8175173.200113.1
169V48.7Very low42.6Very low85 Ų85129 Ų12952%0.51571%0.705SS.*Hα-helixtrans-89.5-22.2-175.11800000112.8T165 R173T165-V169 WeakPolarHBondContact O-CG2 3.3Å; V169-R173 PolarHBondContact O-N 3.45Å
170E42.3Very low41.9Very low139 Ų139137.2 Ų137.265%0.6572%0.715SS**Hα-helixtrans-77-32176.4-162.4151.9-156.500112L172 R173E170-L172 VanDerWaalsContact C-N 3.31Å; E170-L172 PolarHBondContact O-N 3.09Å; E170-R173 PolarHBondContact O-N 3.5Å
171L43.8Very low41.1Very low132 Ų132134.4 Ų134.469%0.69171%0.713SS**Hα-helixtrans-66.1-28.3173.4-73163.5000113.7S175L171-S175 PolarHBondContact O-OG 3Å
172L43.5Very low40.3Very low125 Ų125140.1 Ų140.165%0.65473%0.726SS**Hα-helixtrans-83.2-22.9178.2-87.1160.2000113.2E170E170-L172 VanDerWaalsContact C-N 3.31Å; E170-L172 PolarHBondContact O-N 3.09Å
173R40.1Very low39.5Very low212 Ų212139.7 Ų139.780%0.873%0.729SS**Hα-helixtrans-87.6-29.3-172.4-150.4-179.9177.5-169.8-2113.6V169 E170V169-R173 PolarHBondContact O-N 3.45Å; E170-R173 PolarHBondContact O-N 3.5Å
174E35.9Very low38.7Very low153 Ų153137 Ų13772%0.71572%0.719SS**G310 helixtrans-77.8-21.4173.7-74.4-179142.700113Q176E174-Q176 VanDerWaalsContact C-N 3.33Å; E174-Q176 PolarHBondContact O-N 3.19Å
175S39.8Very low38.3Very low107 Ų107140.7 Ų140.775%0.74873%0.727SS**G310 helixtrans-75.9-12.4-179.3-66.80000114.9L171L171-S175 PolarHBondContact O-OG 3Å
176Q37Very low37.6Very low174 Ų174147.4 Ų147.481%0.81375%0.75SS**G310 helixtrans-111.5-5.2-173.2-152.3174.553.200114.6E174E174-Q176 VanDerWaalsContact C-N 3.33Å; E174-Q176 PolarHBondContact O-N 3.19Å
177A37.1Very low37Very low77 Ų77150.4 Ų150.464%0.63676%0.755SS**SBendtrans-90-17.8-171.200000115.8
178D35.6Very low36.6Very low153 Ų153148.8 Ų148.882%0.81875%0.752SS**SBendtrans-105.614.4-167.1-75.8-25.5000116.8
179A40.6Very low36.1Very low79 Ų79150.6 Ų150.665%0.65376%0.76SS**SBendtrans-81.7-21.5-175.800000115.4
180W31Very low35.1Very low242 Ų242151.2 Ų151.292%0.91777%0.768SS**SBendtrans-150.684.5177.8-64.975.3000112.7
181S26.5Very low34.2Very low127 Ų127155.2 Ų155.289%0.88878%0.777SS**  trans-152125146.1-90.80000111.3
182R30.2Very low33.6Very low242 Ų242157.7 Ų157.791%0.91378%0.782SS**  trans-101.1109.5174.5172.8-176.5152.4-143.1-7.2106.5
183D30.4Very low33.1Very low155 Ų155161 Ų16183%0.82980%0.795SS**  171.6148.4118.1-147.7-11.2000111.8
184G28.1Very low32.6Very low60 Ų60156.9 Ų156.962%0.61980%0.798SS**  trans9982.2149.700000121
185R35Very low32.6Very low241 Ų241155.2 Ų155.291%0.90980%0.803SS**  trans26.2123.9143.5-61-153.1-91-131.31120.6
186K32.5Very low32.4Very low204 Ų204153.6 Ų153.689%0.88780%0.803SS**  178.5150.5101.2-96.9176.4-178.2-178.80113
187D32.6Very low32.5Very low143 Ų143154 Ų15477%0.76581%0.805SS**  trans-62.7161.8-173.3-69.6-65.1000119.4
188L34.9Very low32.9Very low141 Ų141160.3 Ų160.374%0.73882%0.818SS**  trans89107.5142.7-75.1148.8000121.6
189H31.4Very low33.4Very low171 Ų171161.6 Ų161.679%0.79282%0.819SS**  156.3100.3116.8-81.1-63.7000109.8
190S28Very low33.6Very low99 Ų99165.3 Ų165.369%0.69282%0.823SS**  88.6106.588.7-179.20000115.6
191W24.9Very low34.2Very low223 Ų223165 Ų16585%0.84582%0.821SS**  trans77.6116.7142.6-145.9-100.2000116.7
192K29.9Very low35.4Very low183 Ų183164.6 Ų164.680%0.79681%0.809SS**  -150.7144.352.7-80.9-174.3176.7-166.60114.1
193Q33.8Very low36.9Very low196 Ų196161.4 Ų161.492%0.91681%0.805SS**  trans-69.1139.5172.7-70163.6-23.600112.8
194S29.8Very low38.4Very low125 Ų125157.4 Ų157.487%0.87480%0.8SS**  trans-132.7123.3148.3178.80000107.8
195S35.8Very low40.9Very low118 Ų118158.1 Ų158.183%0.82579%0.787SS**  trans-83.6134-167.3480000112.9
196G34.5Very low43.3Very low72 Ų72149.8 Ų149.874%0.74277%0.766SS**SBendtrans118114.6147.400000116.3
197Q40.9Very low45.6Very low183 Ų183148 Ų14886%0.85576%0.758SS**  trans73.770.2159.2-66.9179-40.200118.7
198K44.5Very low48.1Very low210 Ų210146.3 Ų146.391%0.91375%0.749SS**  trans-120.261.8146.7-82.6-171.8177.4179.80110.5
199Q46.6Very low50.4Low180 Ų180144.1 Ų144.184%0.84174%0.735SS**  trans-150.487167.6-72.6-157.3-600111.3
200H43.4Very low53Low156 Ų156138.8 Ų138.872%0.72271%0.712SS**  trans-141.460.5147.5-97.7-75.2000108.3N202H200-N202 VanDerWaalsContact C-N 3.28Å; H200-N202 PolarHBondContact O-N 2.98Å; H200-N202 VanDerWaalsContact O-N 3.08Å
201R44.6Very low55.7Low235 Ų235139 Ų13989%0.88771%0.709SS**  trans-71.596.8157.7-170.3178.1-176.2-177.11.2104.6Q203R201-Q203 PolarHBondContact O-N 2.85Å
202N51.2Low58.9Low119 Ų119136.7 Ų136.764%0.63671%0.705SS**  trans-50.7105178.3-72.9-19.9000108.5H200 G204H200-N202 VanDerWaalsContact C-N 3.28Å; H200-N202 PolarHBondContact O-N 2.98Å; H200-N202 VanDerWaalsContact O-N 3.08Å; N202-G204 VanDerWaalsContact C-N 3.27Å; N202-G204 PolarHBondContact O-N 3.36Å
203Q61.7Low61.8Low176 Ų176130.1 Ų130.182%0.82268%0.678SS**  trans-70.595.5168.5-73.3-178.340.200104.9R201 H205R201-Q203 PolarHBondContact O-N 2.85Å; Q203-H205 PolarHBondContact O-N 2.97Å
204G63.4Low64.6Low71 Ų71123.4 Ų123.473%0.73265%0.652SS**PPolyproline II helixtrans-64117.517400000108.2N202 S206N202-G204 VanDerWaalsContact C-N 3.27Å; N202-G204 PolarHBondContact O-N 3.36Å; G204-S206 PolarHBondContact O-N 3.08Å
205H80.6Confident67.7Low75 Ų75122.2 Ų122.235%0.34764%0.64SS.*PPolyproline II helixtrans-63.5132.7172.7-65.8-70.6000109.5Q203 E209 L210 L221Q203-H205 PolarHBondContact O-N 2.97Å; H205-E209 IonicContact CE1-OE1 3.9Å; H205-E209 IonicContact ND1-OE1 3.84Å; H205-E209 PolarHBondContact ND1-OE1 2.84Å; H205-E209 IonicContact ND1-OE2 3.06Å; H205-L210 HydrophobicContact CB-CD1 4.32Å; H205-L210 HydrophobicContact CB-CD2 3.67Å; H205-L210 HydrophobicContact CB-CG 3.8Å; H205-L221 WeakPolarHBondContact NE2-CD1 3.39Å
206S84.9Confident70.4Confident65 Ų65122.7 Ų122.746%0.45563%0.633SS.*PPolyproline II helixtrans-69.5152173.5179.90000110G204 D208 E209 L210G204-S206 PolarHBondContact O-N 3.08Å; S206-D208 PolarHBondContact O-N 3.27Å; S206-E209 PolarHBondContact N-OE2 3.45Å; S206-E209 VanDerWaalsContact N-OE2 3.16Å; S206-E209 WeakPolarHBondContact O-CA 3.35Å; S206-E209 VanDerWaalsContact O-CB 3.22Å; S206-E209 WeakPolarHBondContact O-CB 3.39Å; S206-E209 PolarHBondContact O-N 3.44Å; S206-L210 PolarHBondContact O-N 2.92Å; S206-L210 VanDerWaalsContact O-N 3.08Å
207K81.4Confident73.1Confident167 Ų167123.8 Ų123.873%0.72662%0.619SS**Hα-helixtrans-53.8-40.4176.5-176.4178.7177.8179.30112.1E209 L210 T211K207-E209 PolarHBondContact O-N 3.21Å; K207-L210 PolarHBondContact O-N 3.17Å; K207-T211 WeakPolarHBondContact O-CG2 3.04Å; K207-T211 PolarHBondContact O-N 3.43Å; K207-T211 PolarHBondContact O-OG1 2.87Å
208D83.2Confident75.6Confident108 Ų108118.3 Ų118.358%0.57860%0.595SS**Hα-helixtrans-70.5-23.4-179.8-61.5-30.5000112.8S206 T211 K212S206-D208 PolarHBondContact O-N 3.27Å; D208-T211 WeakPolarHBondContact CA-OG1 3.49Å; D208-T211 PolarHBondContact O-OG1 2.89Å; D208-K212 WeakPolarHBondContact O-CD 3.5Å; D208-K212 VanDerWaalsContact O-CG 3.29Å; D208-K212 WeakPolarHBondContact O-CG 3.27Å
209E84.6Confident77.9Confident94 Ų94113.9 Ų113.944%0.43958%0.578SS.*Hα-helixtrans-77.9-47.4178.1-162.5-176.6158.200109.8H205 S206 K207 T211 K212 M213H205-E209 IonicContact CE1-OE1 3.9Å; H205-E209 IonicContact ND1-OE1 3.84Å; H205-E209 PolarHBondContact ND1-OE1 2.84Å; H205-E209 IonicContact ND1-OE2 3.06Å; S206-E209 PolarHBondContact N-OE2 3.45Å; S206-E209 VanDerWaalsContact N-OE2 3.16Å; S206-E209 WeakPolarHBondContact O-CA 3.35Å; S206-E209 VanDerWaalsContact O-CB 3.22Å; S206-E209 WeakPolarHBondContact O-CB 3.39Å; S206-E209 PolarHBondContact O-N 3.44Å; K207-E209 PolarHBondContact O-N 3.21Å; E209-T211 VanDerWaalsContact C-N 3.28Å; E209-T211 PolarHBondContact O-N 3.27Å; E209-K212 PolarHBondContact O-N 3.46Å; E209-M213 WeakPolarHBondContact O-CG 3.48Å; E209-M213 PolarHBondContact O-N 2.97Å
210L85.3Confident80.3Confident60 Ų60111.1 Ų111.131%0.31456%0.564SS.*Hα-helixtrans-59.7-36.3175.3-65.2171.7000112.5H205 S206 K207 K212 M213 L218 L221H205-L210 HydrophobicContact CB-CD1 4.32Å; H205-L210 HydrophobicContact CB-CD2 3.67Å; H205-L210 HydrophobicContact CB-CG 3.8Å; S206-L210 PolarHBondContact O-N 2.92Å; S206-L210 VanDerWaalsContact O-N 3.08Å; K207-L210 PolarHBondContact O-N 3.17Å; L210-K212 VanDerWaalsContact C-N 3.26Å; L210-K212 PolarHBondContact O-N 3.5Å; L210-M213 HydrophobicContact CD2-SD 4.02Å; L210-M213 PolarHBondContact O-N 2.94Å; L210-L218 HydrophobicContact CD2-CD2 4.18Å; L210-L221 HydrophobicContact CD2-CD2 3.57Å
211T85.8Confident82.6Confident103 Ų103105.6 Ų105.663%0.63254%0.54SS*.THydrogen-bonded Turntrans-72.6-17177.5500000114.3K207 D208 E209K207-T211 WeakPolarHBondContact O-CG2 3.04Å; K207-T211 PolarHBondContact O-N 3.43Å; K207-T211 PolarHBondContact O-OG1 2.87Å; D208-T211 WeakPolarHBondContact CA-OG1 3.49Å; D208-T211 PolarHBondContact O-OG1 2.89Å; E209-T211 VanDerWaalsContact C-N 3.28Å; E209-T211 PolarHBondContact O-N 3.27Å
212K90.8Very high84.9Confident175 Ų17598.4 Ų98.476%0.76152%0.519SS*.THydrogen-bonded Turntrans-95.1-16.1178.3-71.8172.8-173.9176.70112.7D208 E209 L210D208-K212 WeakPolarHBondContact O-CD 3.5Å; D208-K212 VanDerWaalsContact O-CG 3.29Å; D208-K212 WeakPolarHBondContact O-CG 3.27Å; E209-K212 PolarHBondContact O-N 3.46Å; L210-K212 VanDerWaalsContact C-N 3.26Å; L210-K212 PolarHBondContact O-N 3.5Å
213M91Very high87Confident45 Ų4595.7 Ų95.722%0.22251%0.51CS..SBendtrans-67.3144.3177.1-70.817574.100110.4E209 L210 E217 L218 L221E209-M213 WeakPolarHBondContact O-CG 3.48Å; E209-M213 PolarHBondContact O-N 2.97Å; L210-M213 HydrophobicContact CD2-SD 4.02Å; L210-M213 PolarHBondContact O-N 2.94Å; M213-E217 HydrophobicContact CB-CB 4.26Å; M213-E217 HydrophobicContact CE-CB 3.59Å; M213-L218 HydrophobicContact CB-CD2 4.26Å; M213-L218 HydrophobicContact CB-CG 3.94Å; M213-L218 HydrophobicContact SD-CD2 4.36Å; M213-L221 HydrophobicContact CE-CB 4.41Å; M213-L221 HydrophobicContact CE-CD2 4.38Å; M213-L221 HydrophobicContact SD-CD2 4.48Å
214S93.6Very high88.6Confident54 Ų5491.9 Ų91.938%0.37849%0.492SS..  trans-67.1161.5169.363.90000110.9D216 E217 L218S214-D216 PolarHBondContact O-N 2.95Å; S214-E217 WeakPolarHBondContact CB-OE2 3.21Å; S214-E217 PolarHBondContact N-OE2 2.7Å; S214-E217 PolarHBondContact O-N 2.82Å; S214-E217 WeakPolarHBondContact OG-CG 3.44Å; S214-E217 PolarHBondContact OG-N 3.45Å; S214-E217 PolarHBondContact OG-OE2 3.13Å; S214-L218 PolarHBondContact O-N 3.15Å
215V93Very high90.1Very high100 Ų10092.7 Ų92.761%0.60648%0.479SS*.Hα-helixtrans-59-38.8178.51760000111.1L218 H219V215-L218 PolarHBondContact O-N 2.97Å; V215-H219 PolarHBondContact O-CD2 3.21Å; V215-H219 PolarHBondContact O-N 2.75Å
216D93.3Very high90.9Very high129 Ų12993.8 Ų93.869%0.6949%0.487SS*.Hα-helixtrans-68-41179.7-62.3-37.1000112.2S214 L218 H219 Q220S214-D216 PolarHBondContact O-N 2.95Å; D216-L218 VanDerWaalsContact C-N 3.35Å; D216-H219 WeakPolarHBondContact O-CB 3.5Å; D216-H219 PolarHBondContact O-N 3.09Å; D216-Q220 PolarHBondContact O-N 3.38Å
217E92.3Very high91.5Very high95 Ų9597.8 Ų97.844%0.44450%0.496SS..Hα-helixtrans-66.3-37.3175.6-68.7165.9140.400111.6M213 S214 Q220 L221M213-E217 HydrophobicContact CB-CB 4.26Å; M213-E217 HydrophobicContact CE-CB 3.59Å; S214-E217 WeakPolarHBondContact CB-OE2 3.21Å; S214-E217 PolarHBondContact N-OE2 2.7Å; S214-E217 PolarHBondContact O-N 2.82Å; S214-E217 WeakPolarHBondContact OG-CG 3.44Å; S214-E217 PolarHBondContact OG-N 3.45Å; S214-E217 PolarHBondContact OG-OE2 3.13Å; E217-Q220 PolarHBondContact O-N 3.23Å; E217-L221 WeakPolarHBondContact O-CB 3.44Å; E217-L221 PolarHBondContact O-N 2.76Å
218L92.3Very high92.1Very high67 Ų6793.5 Ų93.535%0.35148%0.479SS..Hα-helixtrans-64.8-40.3173-76.2168.7000111.8L210 M213 S214 V215 D216 Q220 L221 N222L210-L218 HydrophobicContact CD2-CD2 4.18Å; M213-L218 HydrophobicContact CB-CD2 4.26Å; M213-L218 HydrophobicContact CB-CG 3.94Å; M213-L218 HydrophobicContact SD-CD2 4.36Å; S214-L218 PolarHBondContact O-N 3.15Å; V215-L218 PolarHBondContact O-N 2.97Å; D216-L218 VanDerWaalsContact C-N 3.35Å; L218-Q220 VanDerWaalsContact C-N 3.33Å; L218-L221 PolarHBondContact O-N 2.94Å; L218-N222 WeakPolarHBondContact O-CB 3.5Å; L218-N222 PolarHBondContact O-N 3.2Å
219H93.9Very high92.7Very high118 Ų11891.9 Ų91.955%0.54647%0.469SS..Hα-helixtrans-62.9-39.9173.6-88.4-69.2000112.2V215 D216 N222 S223V215-H219 PolarHBondContact O-CD2 3.21Å; V215-H219 PolarHBondContact O-N 2.75Å; D216-H219 WeakPolarHBondContact O-CB 3.5Å; D216-H219 PolarHBondContact O-N 3.09Å; H219-N222 PolarHBondContact O-N 3.35Å; H219-S223 WeakPolarHBondContact O-CB 3.14Å; H219-S223 PolarHBondContact O-N 3.48Å; H219-S223 PolarHBondContact O-OG 3.47Å
220Q95.1Very high93.3Very high121 Ų12193.1 Ų93.157%0.56548%0.475SS*.Hα-helixtrans-65-44.9176.1-172.7177.89.700111.6D216 E217 L218 N222 S223 Q224D216-Q220 PolarHBondContact O-N 3.38Å; E217-Q220 PolarHBondContact O-N 3.23Å; L218-Q220 VanDerWaalsContact C-N 3.33Å; Q220-N222 PolarHBondContact O-N 3.3Å; Q220-S223 WeakPolarHBondContact O-CB 3.48Å; Q220-S223 PolarHBondContact O-N 3.37Å; Q220-Q224 WeakPolarHBondContact O-CG 3.33Å; Q220-Q224 PolarHBondContact O-N 3.11Å
221L93.1Very high93.9Very high41 Ų4195.6 Ų95.622%0.21548%0.483CS..Hα-helixtrans-62.4-42.9176.5-176.465.2000111.5H205 L210 M213 E217 L218 S223 Q224 L225H205-L221 WeakPolarHBondContact NE2-CD1 3.39Å; L210-L221 HydrophobicContact CD2-CD2 3.57Å; M213-L221 HydrophobicContact CE-CB 4.41Å; M213-L221 HydrophobicContact CE-CD2 4.38Å; M213-L221 HydrophobicContact SD-CD2 4.48Å; E217-L221 WeakPolarHBondContact O-CB 3.44Å; E217-L221 PolarHBondContact O-N 2.76Å; L218-L221 PolarHBondContact O-N 2.94Å; L221-S223 VanDerWaalsContact C-N 3.32Å; L221-S223 PolarHBondContact O-N 3.33Å; L221-Q224 PolarHBondContact O-N 2.93Å; L221-L225 PolarHBondContact O-N 3.49Å
222N93.4Very high94.5Very high84 Ų8494.9 Ų94.945%0.44948%0.479SS..Hα-helixtrans-62.7-40.8176.4-170.340.2000111.6L218 H219 Q220 Q224 L225 L226L218-N222 WeakPolarHBondContact O-CB 3.5Å; L218-N222 PolarHBondContact O-N 3.2Å; H219-N222 PolarHBondContact O-N 3.35Å; Q220-N222 PolarHBondContact O-N 3.3Å; N222-Q224 VanDerWaalsContact C-N 3.32Å; N222-Q224 PolarHBondContact O-N 2.91Å; N222-L225 PolarHBondContact O-N 3.22Å; N222-L226 WeakPolarHBondContact O-CG 3.49Å; N222-L226 PolarHBondContact O-N 3.45Å
223S95.3Very high94.9Very high62 Ų6292.7 Ų92.743%0.43447%0.469SS..Hα-helixtrans-63.4-37.4175.1-58.60000112.4H219 Q220 L221 K227H219-S223 WeakPolarHBondContact O-CB 3.14Å; H219-S223 PolarHBondContact O-N 3.48Å; H219-S223 PolarHBondContact O-OG 3.47Å; Q220-S223 WeakPolarHBondContact O-CB 3.48Å; Q220-S223 PolarHBondContact O-N 3.37Å; L221-S223 VanDerWaalsContact C-N 3.32Å; L221-S223 PolarHBondContact O-N 3.33Å; S223-K227 WeakPolarHBondContact O-CG 3.3Å; S223-K227 PolarHBondContact O-N 3.01Å; S223-K227 VanDerWaalsContact O-N 3.16Å
224Q95.1Very high95.2Very high95 Ų9596.6 Ų96.644%0.44449%0.487SS..Hα-helixtrans-68.7-41174.5-71.5176.24.700112Q220 L221 N222 L226 K227 Q228Q220-Q224 WeakPolarHBondContact O-CG 3.33Å; Q220-Q224 PolarHBondContact O-N 3.11Å; L221-Q224 PolarHBondContact O-N 2.93Å; N222-Q224 VanDerWaalsContact C-N 3.32Å; N222-Q224 PolarHBondContact O-N 2.91Å; Q224-L226 VanDerWaalsContact C-N 3.34Å; Q224-K227 PolarHBondContact O-N 3.25Å; Q224-Q228 WeakPolarHBondContact O-CG 3.29Å; Q224-Q228 PolarHBondContact O-N 2.96Å
225L95Very high95.4Very high88 Ų8899.2 Ų99.246%0.46149%0.493SS..Hα-helixtrans-61.1-44.6175.5-179.463.7000111L221 N222 K227 Q228 I229L221-L225 PolarHBondContact O-N 3.49Å; N222-L225 PolarHBondContact O-N 3.22Å; L225-K227 VanDerWaalsContact C-N 3.34Å; L225-K227 PolarHBondContact O-N 2.97Å; L225-Q228 PolarHBondContact O-N 3.37Å; L225-I229 HydrophobicContact CD1-CD1 4.24Å; L225-I229 HydrophobicContact CD1-CG1 4.4Å; L225-I229 HydrophobicContact CG-CD1 3.87Å; L225-I229 HydrophobicContact CG-CG1 4.46Å; L225-I229 WeakPolarHBondContact O-CB 3.21Å; L225-I229 VanDerWaalsContact O-CG1 3.27Å; L225-I229 WeakPolarHBondContact O-CG1 3.41Å; L225-I229 PolarHBondContact O-N 3.45Å
226L96.6Very high95.7Very high99 Ų9999.2 Ų99.252%0.51849%0.489SS..Hα-helixtrans-58.9-44.4176.1-73171.9000111.9N222 Q224 Q228 I229 E230N222-L226 WeakPolarHBondContact O-CG 3.49Å; N222-L226 PolarHBondContact O-N 3.45Å; Q224-L226 VanDerWaalsContact C-N 3.34Å; L226-Q228 VanDerWaalsContact C-N 3.34Å; L226-Q228 PolarHBondContact O-N 3.45Å; L226-I229 PolarHBondContact O-N 3.3Å; L226-E230 WeakPolarHBondContact O-CB 3.48Å; L226-E230 PolarHBondContact O-N 3.16Å
227K96.5Very high95.9Very high148 Ų14896.4 Ų96.464%0.64348%0.477SS*.Hα-helixtrans-62.9-38.3175.4-73.1179.1179.3-175.70113S223 Q224 L225 K231S223-K227 WeakPolarHBondContact O-CG 3.3Å; S223-K227 PolarHBondContact O-N 3.01Å; S223-K227 VanDerWaalsContact O-N 3.16Å; Q224-K227 PolarHBondContact O-N 3.25Å; L225-K227 VanDerWaalsContact C-N 3.34Å; L225-K227 PolarHBondContact O-N 2.97Å; K227-K231 WeakPolarHBondContact O-CB 3.43Å; K227-K231 PolarHBondContact O-N 2.89Å
228Q95.8Very high96.2Very high78 Ų7894.4 Ų94.436%0.36448%0.477SS..Hα-helixtrans-66.8-41.5175.3-73.5-178.33.800111.5Q224 L225 L226 K231 V232Q224-Q228 WeakPolarHBondContact O-CG 3.29Å; Q224-Q228 PolarHBondContact O-N 2.96Å; L225-Q228 PolarHBondContact O-N 3.37Å; L226-Q228 VanDerWaalsContact C-N 3.34Å; L226-Q228 PolarHBondContact O-N 3.45Å; Q228-K231 PolarHBondContact O-N 3.2Å; Q228-V232 VanDerWaalsContact O-CG2 3.29Å; Q228-V232 WeakPolarHBondContact O-CG2 3.44Å; Q228-V232 PolarHBondContact O-N 3.01Å
229I95.9Very high96.5Very high73 Ų7393.6 Ų93.637%0.37448%0.48SS..Hα-helixtrans-60.8-49.9176.3-71.4168.2000109.8L225 L226 K231 V232 F233L225-I229 HydrophobicContact CD1-CD1 4.24Å; L225-I229 HydrophobicContact CD1-CG1 4.4Å; L225-I229 HydrophobicContact CG-CD1 3.87Å; L225-I229 HydrophobicContact CG-CG1 4.46Å; L225-I229 WeakPolarHBondContact O-CB 3.21Å; L225-I229 VanDerWaalsContact O-CG1 3.27Å; L225-I229 WeakPolarHBondContact O-CG1 3.41Å; L225-I229 PolarHBondContact O-N 3.45Å; L226-I229 PolarHBondContact O-N 3.3Å; I229-K231 PolarHBondContact O-N 3.29Å; I229-V232 PolarHBondContact O-N 2.95Å; I229-F233 HydrophobicContact CG2-CD2 3.54Å; I229-F233 HydrophobicContact CG2-CE2 3.44Å; I229-F233 VanDerWaalsContact CG2-CE2 3.44Å; I229-F233 WeakPolarHBondContact O-CD2 3.35Å; I229-F233 PolarHBondContact O-N 2.99Å
230E97.3Very high96.7Very high120 Ų12091.2 Ų91.256%0.56147%0.473SS*.Hα-helixtrans-56.7-49.1177.8-174.4173.3-157.200111.5L226 V232 F233 E234L226-E230 WeakPolarHBondContact O-CB 3.48Å; L226-E230 PolarHBondContact O-N 3.16Å; E230-V232 VanDerWaalsContact C-N 3.35Å; E230-V232 PolarHBondContact O-N 3.42Å; E230-F233 WeakPolarHBondContact O-CB 3.39Å; E230-F233 PolarHBondContact O-N 3.49Å; E230-F233 VanDerWaalsContact O-N 3.11Å; E230-E234 WeakPolarHBondContact O-CG 3.49Å; E230-E234 PolarHBondContact O-N 2.92Å
231K97.4Very high96.8Very high112 Ų11291.5 Ų91.549%0.48747%0.474SS..Hα-helixtrans-58-44.3176.5-177.3178.4174.5-176.50112.8K227 Q228 I229 F233 E234 E235K227-K231 WeakPolarHBondContact O-CB 3.43Å; K227-K231 PolarHBondContact O-N 2.89Å; Q228-K231 PolarHBondContact O-N 3.2Å; I229-K231 PolarHBondContact O-N 3.29Å; K231-F233 VanDerWaalsContact C-N 3.31Å; K231-F233 PolarHBondContact O-N 3.41Å; K231-E234 PolarHBondContact O-N 2.92Å; K231-E235 WeakPolarHBondContact CE-OE1 3.31Å; K231-E235 IonicContact NZ-OE1 2.63Å; K231-E235 WeakPolarHBondContact O-CG 3.01Å; K231-E235 PolarHBondContact O-N 3.49Å
232V98.1Very high97.1Very high89 Ų8995.5 Ų95.554%0.53949%0.492SS..Hα-helixtrans-65.4-36.8177.9169.80000111.1Q228 I229 E230 E235 L236Q228-V232 VanDerWaalsContact O-CG2 3.29Å; Q228-V232 WeakPolarHBondContact O-CG2 3.44Å; Q228-V232 PolarHBondContact O-N 3.01Å; I229-V232 PolarHBondContact O-N 2.95Å; E230-V232 VanDerWaalsContact C-N 3.35Å; E230-V232 PolarHBondContact O-N 3.42Å; V232-E235 PolarHBondContact O-N 3.33Å; V232-L236 VanDerWaalsContact O-CB 3.3Å; V232-L236 WeakPolarHBondContact O-CB 3.4Å; V232-L236 PolarHBondContact O-N 3.38Å
233F98.2Very high97.3Very high129 Ų12997 Ų9757%0.56650%0.495SS*.Hα-helixtrans-66.3-40.3174.8-86.4-67.4000112.5I229 E230 K231 L236 T237I229-F233 HydrophobicContact CG2-CD2 3.54Å; I229-F233 HydrophobicContact CG2-CE2 3.44Å; I229-F233 VanDerWaalsContact CG2-CE2 3.44Å; I229-F233 WeakPolarHBondContact O-CD2 3.35Å; I229-F233 PolarHBondContact O-N 2.99Å; E230-F233 WeakPolarHBondContact O-CB 3.39Å; E230-F233 PolarHBondContact O-N 3.49Å; E230-F233 VanDerWaalsContact O-N 3.11Å; K231-F233 VanDerWaalsContact C-N 3.31Å; K231-F233 PolarHBondContact O-N 3.41Å; F233-L236 PolarHBondContact O-N 3.46Å; F233-T237 WeakPolarHBondContact O-CB 3.27Å; F233-T237 PolarHBondContact O-N 3.23Å; F233-T237 PolarHBondContact O-OG1 3.32Å
234E98.4Very high97.5Very high126 Ų12698.3 Ų98.359%0.58950%0.497SS*.Hα-helixtrans-61.3-48.1173.8-71.3179.216500111.4E230 K231 L236 T237 A238E230-E234 WeakPolarHBondContact O-CG 3.49Å; E230-E234 PolarHBondContact O-N 2.92Å; K231-E234 PolarHBondContact O-N 2.92Å; E234-L236 PolarHBondContact O-N 2.98Å; E234-T237 PolarHBondContact O-N 2.96Å; E234-A238 PolarHBondContact O-N 3.32Å
235E98.1Very high97.6Very high110 Ų11096.4 Ų96.451%0.51450%0.498SS..Hα-helixtrans-60.6-43.9177.5-73175.8-175.700111.9K231 V232 T237 A238 A239K231-E235 WeakPolarHBondContact CE-OE1 3.31Å; K231-E235 IonicContact NZ-OE1 2.63Å; K231-E235 WeakPolarHBondContact O-CG 3.01Å; K231-E235 PolarHBondContact O-N 3.49Å; V232-E235 PolarHBondContact O-N 3.33Å; E235-T237 VanDerWaalsContact C-N 3.34Å; E235-T237 PolarHBondContact O-N 3.45Å; E235-A238 PolarHBondContact O-N 2.97Å; E235-A239 WeakPolarHBondContact O-CB 3.33Å; E235-A239 PolarHBondContact O-N 2.9Å
236L98.3Very high97.8Very high100 Ų10096.7 Ų96.752%0.52450%0.499SS..Hα-helixtrans-65.1-39.5177.3-175.763000111.6V232 F233 E234 A239 V240V232-L236 VanDerWaalsContact O-CB 3.3Å; V232-L236 WeakPolarHBondContact O-CB 3.4Å; V232-L236 PolarHBondContact O-N 3.38Å; F233-L236 PolarHBondContact O-N 3.46Å; E234-L236 PolarHBondContact O-N 2.98Å; L236-A239 PolarHBondContact O-N 2.71Å; L236-V240 HydrophobicContact CD1-CG2 4.47Å; L236-V240 VanDerWaalsContact O-CG2 3.27Å; L236-V240 WeakPolarHBondContact O-CG2 3.45Å; L236-V240 PolarHBondContact O-N 3.28Å
237T98.4Very high97.8Very high70 Ų7094.5 Ų94.543%0.42950%0.495SS..Hα-helixtrans-62.8-46.4177.4-59.40000110.7F233 E234 E235 A239 V240 Q241F233-T237 WeakPolarHBondContact O-CB 3.27Å; F233-T237 PolarHBondContact O-N 3.23Å; F233-T237 PolarHBondContact O-OG1 3.32Å; E234-T237 PolarHBondContact O-N 2.96Å; E235-T237 VanDerWaalsContact C-N 3.34Å; E235-T237 PolarHBondContact O-N 3.45Å; T237-A239 PolarHBondContact O-N 3.01Å; T237-V240 PolarHBondContact O-N 3.49Å; T237-Q241 VanDerWaalsContact O-CG 3.31Å; T237-Q241 WeakPolarHBondContact O-CG 3.31Å; T237-Q241 PolarHBondContact O-N 3.32Å
238A98.3Very high97.9Very high53 Ų5390.8 Ų90.844%0.43849%0.488SS..Hα-helixtrans-60.7-45176.300000111.9E234 E235 V240 Q241 E242E234-A238 PolarHBondContact O-N 3.32Å; E235-A238 PolarHBondContact O-N 2.97Å; A238-V240 VanDerWaalsContact C-N 3.34Å; A238-V240 PolarHBondContact O-N 3.43Å; A238-Q241 PolarHBondContact O-N 3Å; A238-E242 PolarHBondContact O-N 2.83Å
239A97.9Very high98Very high50 Ų5091.1 Ų91.141%0.41349%0.489SS..Hα-helixtrans-63.1-38.7178.500000112.7E235 L236 T237 K243E235-A239 WeakPolarHBondContact O-CB 3.33Å; E235-A239 PolarHBondContact O-N 2.9Å; L236-A239 PolarHBondContact O-N 2.71Å; T237-A239 PolarHBondContact O-N 3.01Å; A239-K243 WeakPolarHBondContact O-CB 3.47Å; A239-K243 PolarHBondContact O-N 3.4Å
240V98.6Very high98.1Very high68 Ų6893.2 Ų93.241%0.41250%0.501SS..Hα-helixtrans-66.5-44.4176.1169.40000110.9L236 T237 A238 E242 K243 D244L236-V240 HydrophobicContact CD1-CG2 4.47Å; L236-V240 VanDerWaalsContact O-CG2 3.27Å; L236-V240 WeakPolarHBondContact O-CG2 3.45Å; L236-V240 PolarHBondContact O-N 3.28Å; T237-V240 PolarHBondContact O-N 3.49Å; A238-V240 VanDerWaalsContact C-N 3.34Å; A238-V240 PolarHBondContact O-N 3.43Å; V240-E242 PolarHBondContact O-N 3.26Å; V240-K243 PolarHBondContact O-N 3.42Å; V240-D244 PolarHBondContact O-N 3.49Å
241Q98.3Very high98.1Very high126 Ų12693.1 Ų93.159%0.58950%0.5SS*.Hα-helixtrans-61.4-43.6176.8-72.7174-8.900112T237 A238 D244 A245T237-Q241 VanDerWaalsContact O-CG 3.31Å; T237-Q241 WeakPolarHBondContact O-CG 3.31Å; T237-Q241 PolarHBondContact O-N 3.32Å; A238-Q241 PolarHBondContact O-N 3Å; Q241-D244 PolarHBondContact O-N 2.91Å; Q241-A245 WeakPolarHBondContact O-CB 3.38Å; Q241-A245 PolarHBondContact O-N 3.33Å
242E98.1Very high98.2Very high125 Ų12592.5 Ų92.558%0.58451%0.505SS*.Hα-helixtrans-61.4-46.1175.4-175.8-178.5179.800111.3A238 V240 D244 A245 L246A238-E242 PolarHBondContact O-N 2.83Å; V240-E242 PolarHBondContact O-N 3.26Å; E242-D244 VanDerWaalsContact C-N 3.3Å; E242-D244 PolarHBondContact O-N 3.46Å; E242-A245 PolarHBondContact O-N 2.94Å; E242-L246 HydrophobicContact CG-CD1 4.11Å; E242-L246 HydrophobicContact CG-CG 4.45Å; E242-L246 WeakPolarHBondContact O-CG 3.48Å; E242-L246 PolarHBondContact O-N 2.88Å
243K98.3Very high98.2Very high117 Ų11795.8 Ų95.851%0.50951%0.508SS..Hα-helixtrans-58.7-42.2177-172.6-156.563.359.70111.7A239 V240 A247A239-K243 WeakPolarHBondContact O-CB 3.47Å; A239-K243 PolarHBondContact O-N 3.4Å; V240-K243 PolarHBondContact O-N 3.42Å; K243-A247 VanDerWaalsContact O-CB 3.31Å; K243-A247 WeakPolarHBondContact O-CB 3.38Å; K243-A247 PolarHBondContact O-N 3.32Å
244D98.3Very high98.1Very high88 Ų8894.1 Ų94.147%0.47150%0.502SS..Hα-helixtrans-68.9-40178.8-73-14.4000111.8V240 Q241 E242 A247 S248V240-D244 PolarHBondContact O-N 3.49Å; Q241-D244 PolarHBondContact O-N 2.91Å; E242-D244 VanDerWaalsContact C-N 3.3Å; E242-D244 PolarHBondContact O-N 3.46Å; D244-A247 PolarHBondContact O-N 3.19Å; D244-S248 PolarHBondContact O-N 3.24Å
245A98.1Very high98.1Very high56 Ų5690.6 Ų90.646%0.46349%0.489SS..Hα-helixtrans-59.7-48.7172.800000111.4Q241 E242 A247 S248 E249Q241-A245 WeakPolarHBondContact O-CB 3.38Å; Q241-A245 PolarHBondContact O-N 3.33Å; E242-A245 PolarHBondContact O-N 2.94Å; A245-A247 PolarHBondContact O-N 3.29Å; A245-S248 PolarHBondContact O-N 3.48Å; A245-S248 PolarHBondContact O-OG 3.44Å; A245-E249 PolarHBondContact O-N 3.34Å
246L98.4Very high98Very high93 Ų9387.8 Ų87.849%0.48749%0.485SS..Hα-helixtrans-63-39.4177.2-69.5173.9000112.5E242 S248 E249 L250E242-L246 HydrophobicContact CG-CD1 4.11Å; E242-L246 HydrophobicContact CG-CG 4.45Å; E242-L246 WeakPolarHBondContact O-CG 3.48Å; E242-L246 PolarHBondContact O-N 2.88Å; L246-S248 VanDerWaalsContact C-N 3.32Å; L246-S248 PolarHBondContact O-N 2.67Å; L246-E249 PolarHBondContact O-N 2.99Å; L246-L250 WeakPolarHBondContact O-CB 3.34Å; L246-L250 PolarHBondContact O-N 3.49Å
247A97.9Very high97.7Very high53 Ų5387.2 Ų87.244%0.43848%0.481SS..Hα-helixtrans-62.6-40.3175.400000111.6K243 D244 A245 L250 H251K243-A247 VanDerWaalsContact O-CB 3.31Å; K243-A247 WeakPolarHBondContact O-CB 3.38Å; K243-A247 PolarHBondContact O-N 3.32Å; D244-A247 PolarHBondContact O-N 3.19Å; A245-A247 PolarHBondContact O-N 3.29Å; A247-L250 PolarHBondContact O-N 2.92Å; A247-H251 WeakPolarHBondContact O-CB 3.4Å; A247-H251 PolarHBondContact O-N 2.94Å
248S97.9Very high97.5Very high70 Ų7087.4 Ų87.449%0.4948%0.477SS..Hα-helixtrans-65.3-41.5175.6790000112.2D244 A245 L246 H251 V252D244-S248 PolarHBondContact O-N 3.24Å; A245-S248 PolarHBondContact O-N 3.48Å; A245-S248 PolarHBondContact O-OG 3.44Å; L246-S248 VanDerWaalsContact C-N 3.32Å; L246-S248 PolarHBondContact O-N 2.67Å; S248-H251 PolarHBondContact O-N 3.13Å; S248-V252 WeakPolarHBondContact O-CG2 3.47Å; S248-V252 PolarHBondContact O-N 3.34Å
249E98Very high97.3Very high85 Ų8589 Ų8940%0.39748%0.476SS..Hα-helixtrans-63.8-46.2176.5-172.7-174.4167.300111.2A245 L246 H251 V252 R253A245-E249 PolarHBondContact O-N 3.34Å; L246-E249 PolarHBondContact O-N 2.99Å; E249-H251 VanDerWaalsContact C-N 3.3Å; E249-H251 PolarHBondContact O-N 3.03Å; E249-V252 PolarHBondContact O-N 3.36Å; E249-R253 WeakPolarHBondContact O-CG 3.34Å; E249-R253 PolarHBondContact O-N 2.92Å; E249-R253 IonicContact OE1-CZ 3.32Å; E249-R253 IonicContact OE1-NE 3.27Å; E249-R253 PolarHBondContact OE1-NE 3.44Å; E249-R253 IonicContact OE1-NH2 3.15Å; E249-R253 PolarHBondContact OE1-NH2 2.83Å
250L98.3Very high96.9Very high118 Ų11891 Ų9162%0.61848%0.479SS*.Hα-helixtrans-58.8-44.9176.5-168.2164.6000110.5L246 A247 V252 R253 H254L246-L250 WeakPolarHBondContact O-CB 3.34Å; L246-L250 PolarHBondContact O-N 3.49Å; A247-L250 PolarHBondContact O-N 2.92Å; L250-V252 PolarHBondContact O-N 3.29Å; L250-R253 PolarHBondContact O-N 3.27Å; L250-H254 WeakPolarHBondContact O-CB 3.24Å; L250-H254 PolarHBondContact O-N 2.95Å
251H98Very high96.3Very high118 Ų11894.8 Ų94.855%0.54649%0.49SS..Hα-helixtrans-58.3-47.4177.2-178.167.3000112A247 S248 E249 R253 H254 V255A247-H251 WeakPolarHBondContact O-CB 3.4Å; A247-H251 PolarHBondContact O-N 2.94Å; S248-H251 PolarHBondContact O-N 3.13Å; E249-H251 VanDerWaalsContact C-N 3.3Å; E249-H251 PolarHBondContact O-N 3.03Å; H251-R253 PolarHBondContact O-N 3.01Å; H251-H254 WeakPolarHBondContact O-CB 3.23Å; H251-H254 PolarHBondContact O-N 3.05Å; H251-V255 WeakPolarHBondContact O-CG2 3.27Å; H251-V255 PolarHBondContact O-N 2.93Å
252V98.3Very high95.8Very high98 Ų9894.6 Ų94.659%0.59449%0.487SS*.Hα-helixtrans-61-45177173.40000111.3S248 E249 L250 H254 V255 A256S248-V252 WeakPolarHBondContact O-CG2 3.47Å; S248-V252 PolarHBondContact O-N 3.34Å; E249-V252 PolarHBondContact O-N 3.36Å; L250-V252 PolarHBondContact O-N 3.29Å; V252-H254 VanDerWaalsContact C-N 3.33Å; V252-H254 PolarHBondContact O-N 3.3Å; V252-V255 PolarHBondContact O-N 3.17Å; V252-A256 WeakPolarHBondContact O-CB 3.33Å; V252-A256 PolarHBondContact O-N 3.38Å
253R97.7Very high95.2Very high158 Ų15891.1 Ų91.160%0.59647%0.473SS*.Hα-helixtrans-60.4-43176-71.2-179.6-178.6-155.72111.5E249 L250 H251 A256 I257E249-R253 WeakPolarHBondContact O-CG 3.34Å; E249-R253 PolarHBondContact O-N 2.92Å; E249-R253 IonicContact OE1-CZ 3.32Å; E249-R253 IonicContact OE1-NE 3.27Å; E249-R253 PolarHBondContact OE1-NE 3.44Å; E249-R253 IonicContact OE1-NH2 3.15Å; E249-R253 PolarHBondContact OE1-NH2 2.83Å; L250-R253 PolarHBondContact O-N 3.27Å; H251-R253 PolarHBondContact O-N 3.01Å; R253-A256 PolarHBondContact O-N 3.06Å; R253-I257 VanDerWaalsContact O-CG1 3.27Å; R253-I257 WeakPolarHBondContact O-CG1 3.46Å; R253-I257 PolarHBondContact O-N 3.23Å
254H97.6Very high94.3Very high94 Ų9487.7 Ų87.744%0.43546%0.462SS..Hα-helixtrans-61.5-48177.6-177.570.9000111.3L250 H251 V252 A256 I257 E258L250-H254 WeakPolarHBondContact O-CB 3.24Å; L250-H254 PolarHBondContact O-N 2.95Å; H251-H254 WeakPolarHBondContact O-CB 3.23Å; H251-H254 PolarHBondContact O-N 3.05Å; V252-H254 VanDerWaalsContact C-N 3.33Å; V252-H254 PolarHBondContact O-N 3.3Å; H254-A256 VanDerWaalsContact C-N 3.34Å; H254-A256 PolarHBondContact O-N 3.36Å; H254-I257 PolarHBondContact O-N 3.22Å; H254-E258 IonicContact NE2-OE1 3.04Å; H254-E258 PolarHBondContact NE2-OE1 3.26Å; H254-E258 WeakPolarHBondContact O-CG 3.37Å; H254-E258 PolarHBondContact O-N 3.45Å
255V97Very high93.3Very high53 Ų5388.6 Ų88.632%0.32147%0.472SS..Hα-helixtrans-58.8-45.4175.3172.70000110.9H251 V252 I257 E258 Q259H251-V255 WeakPolarHBondContact O-CG2 3.27Å; H251-V255 PolarHBondContact O-N 2.93Å; V252-V255 PolarHBondContact O-N 3.17Å; V255-I257 VanDerWaalsContact C-N 3.33Å; V255-I257 PolarHBondContact O-N 3.41Å; V255-E258 PolarHBondContact O-N 3.23Å; V255-Q259 HydrophobicContact CG1-CG 4.31Å; V255-Q259 VanDerWaalsContact O-CG 3.3Å; V255-Q259 WeakPolarHBondContact O-CG 3.42Å; V255-Q259 PolarHBondContact O-N 3.32Å
256A95.9Very high92.6Very high51 Ų5193.3 Ų93.342%0.42148%0.481SS..Hα-helixtrans-58.8-44.9177.500000111.9V252 R253 H254 Q259 L260V252-A256 WeakPolarHBondContact O-CB 3.33Å; V252-A256 PolarHBondContact O-N 3.38Å; R253-A256 PolarHBondContact O-N 3.06Å; H254-A256 VanDerWaalsContact C-N 3.34Å; H254-A256 PolarHBondContact O-N 3.36Å; A256-Q259 PolarHBondContact O-N 2.88Å; A256-L260 WeakPolarHBondContact O-CG 3.46Å; A256-L260 PolarHBondContact O-N 3.47Å
257I93.2Very high91.4Very high88 Ų8891.2 Ų91.245%0.45147%0.471SS..Hα-helixtrans-61.3-46.5175.8-69.4165.5000110.9R253 H254 V255 Q259 L260 F261R253-I257 VanDerWaalsContact O-CG1 3.27Å; R253-I257 WeakPolarHBondContact O-CG1 3.46Å; R253-I257 PolarHBondContact O-N 3.23Å; H254-I257 PolarHBondContact O-N 3.22Å; V255-I257 VanDerWaalsContact C-N 3.33Å; V255-I257 PolarHBondContact O-N 3.41Å; I257-Q259 VanDerWaalsContact C-N 3.3Å; I257-Q259 PolarHBondContact O-N 2.95Å; I257-L260 WeakPolarHBondContact O-CB 3.46Å; I257-L260 PolarHBondContact O-N 3.43Å; I257-F261 HydrophobicContact CG2-CD2 3.62Å; I257-F261 HydrophobicContact CG2-CE2 3.42Å; I257-F261 VanDerWaalsContact CG2-CE2 3.42Å; I257-F261 VanDerWaalsContact O-CD2 3.23Å; I257-F261 WeakPolarHBondContact O-CD2 3.45Å; I257-F261 PolarHBondContact O-N 3.26Å
258E94.2Very high89.9Confident74 Ų7493.5 Ų93.535%0.34648%0.481SS..Hα-helixtrans-59.4-41.3176-73.2-162.9156.900112.3H254 V255 L260 F261 K262H254-E258 IonicContact NE2-OE1 3.04Å; H254-E258 PolarHBondContact NE2-OE1 3.26Å; H254-E258 WeakPolarHBondContact O-CG 3.37Å; H254-E258 PolarHBondContact O-N 3.45Å; V255-E258 PolarHBondContact O-N 3.23Å; E258-L260 VanDerWaalsContact C-N 3.33Å; E258-F261 PolarHBondContact O-N 2.88Å; E258-K262 WeakPolarHBondContact O-CB 3.4Å; E258-K262 WeakPolarHBondContact O-CG 3.3Å; E258-K262 PolarHBondContact O-N 3.02Å; E258-K262 IonicContact OE2-NZ 3.88Å; E258-K262 PolarHBondContact OE2-NZ 3.1Å
259Q93.1Very high88.5Confident87 Ų8797.6 Ų97.641%0.40749%0.486SS..Hα-helixtrans-66.6-36.5177.6-66.8-55.6-27.400111.6V255 A256 I257 K262 N263V255-Q259 HydrophobicContact CG1-CG 4.31Å; V255-Q259 VanDerWaalsContact O-CG 3.3Å; V255-Q259 WeakPolarHBondContact O-CG 3.42Å; V255-Q259 PolarHBondContact O-N 3.32Å; A256-Q259 PolarHBondContact O-N 2.88Å; I257-Q259 VanDerWaalsContact C-N 3.3Å; I257-Q259 PolarHBondContact O-N 2.95Å; Q259-K262 PolarHBondContact O-N 2.99Å; Q259-N263 WeakPolarHBondContact O-CB 3.46Å; Q259-N263 PolarHBondContact O-N 3.16Å; Q259-N263 PolarHBondContact O-ND2 3.09Å
260L89Confident87.1Confident91 Ų9196.7 Ų96.748%0.47648%0.483SS..Hα-helixtrans-63.4-42.2171.9-69.9172.9000111.4A256 I257 E258 N263 C264 L270A256-L260 WeakPolarHBondContact O-CG 3.46Å; A256-L260 PolarHBondContact O-N 3.47Å; I257-L260 WeakPolarHBondContact O-CB 3.46Å; I257-L260 PolarHBondContact O-N 3.43Å; E258-L260 VanDerWaalsContact C-N 3.33Å; L260-N263 CarbonylContact O-C 3.51Å; L260-N263 PolarHBondContact O-N 2.94Å; L260-C264 WeakPolarHBondContact O-CA 3.48Å; L260-C264 WeakPolarHBondContact O-CB 3.34Å; L260-C264 PolarHBondContact O-N 2.74Å; L260-L270 HydrophobicContact CD2-CD1 4.4Å
261F86.4Confident85.4Confident148 Ų14895.4 Ų95.465%0.64947%0.474SS*.Hα-helixtrans-65.4-42.9174.6-80.4-66000112.7I257 E258 N263 C264I257-F261 HydrophobicContact CG2-CD2 3.62Å; I257-F261 HydrophobicContact CG2-CE2 3.42Å; I257-F261 VanDerWaalsContact CG2-CE2 3.42Å; I257-F261 VanDerWaalsContact O-CD2 3.23Å; I257-F261 WeakPolarHBondContact O-CD2 3.45Å; I257-F261 PolarHBondContact O-N 3.26Å; E258-F261 PolarHBondContact O-N 2.88Å; F261-N263 VanDerWaalsContact C-N 3.26Å; F261-N263 PolarHBondContact O-N 2.9Å; F261-C264 PolarHBondContact O-N 3.34Å; F261-C264 PolarHBondContact O-SG 2.91Å
262K88.4Confident83.7Confident122 Ų12296.2 Ų96.253%0.5348%0.481SS..Hα-helixtrans-62.6-34.7176.6-74.1167.7-176.2159.30112E258 Q259E258-K262 WeakPolarHBondContact O-CB 3.4Å; E258-K262 WeakPolarHBondContact O-CG 3.3Å; E258-K262 PolarHBondContact O-N 3.02Å; E258-K262 IonicContact OE2-NZ 3.88Å; E258-K262 PolarHBondContact OE2-NZ 3.1Å; Q259-K262 PolarHBondContact O-N 2.99Å
263N85.5Confident81.7Confident52 Ų5297.1 Ų97.128%0.27849%0.491SS..Hα-helixtrans-96.93.5-179.4-65.9-62.3000114Q259 L260 F261 T265 K266 L267Q259-N263 WeakPolarHBondContact O-CB 3.46Å; Q259-N263 PolarHBondContact O-N 3.16Å; Q259-N263 PolarHBondContact O-ND2 3.09Å; L260-N263 CarbonylContact O-C 3.51Å; L260-N263 PolarHBondContact O-N 2.94Å; F261-N263 VanDerWaalsContact C-N 3.26Å; F261-N263 PolarHBondContact O-N 2.9Å; N263-T265 PolarHBondContact O-N 3.23Å; N263-K266 WeakPolarHBondContact O-CA 3.46Å; N263-K266 WeakPolarHBondContact O-CB 3.35Å; N263-K266 PolarHBondContact O-N 2.63Å; N263-L267 HydrophobicContact CB-CD1 4.38Å; N263-L267 PolarHBondContact O-N 3.05Å
264C79.7Confident79.7Confident44 Ų44100.5 Ų100.530%0.29750%0.504SS..G310 helixtrans-60-33.1-176.271.60000112.1L260 F261 K266 L267 H271L260-C264 WeakPolarHBondContact O-CA 3.48Å; L260-C264 WeakPolarHBondContact O-CB 3.34Å; L260-C264 PolarHBondContact O-N 2.74Å; F261-C264 PolarHBondContact O-N 3.34Å; F261-C264 PolarHBondContact O-SG 2.91Å; C264-K266 PolarHBondContact O-N 3.34Å; C264-L267 PolarHBondContact O-N 3.43Å; C264-H271 PolarHBondContact O-CD2 3.39Å; C264-H271 VanDerWaalsContact O-CD2 3.23Å; C264-H271 PolarHBondContact O-NE2 3.27Å
265T76.8Confident77.6Confident108 Ų108100.7 Ų100.766%0.66352%0.522SS*.G310 helixtrans-67.5-23.1175.154.30000113.5N263N263-T265 PolarHBondContact O-N 3.23Å
266K82.4Confident75.4Confident154 Ų154101.1 Ų101.167%0.6754%0.537SS*.G310 helixtrans-93.7-8.1179.4-58.2178.4-176.1169.20113.2N263 C264 P268N263-K266 WeakPolarHBondContact O-CA 3.46Å; N263-K266 WeakPolarHBondContact O-CB 3.35Å; N263-K266 PolarHBondContact O-N 2.63Å; C264-K266 PolarHBondContact O-N 3.34Å; K266-P268 WeakPolarHBondContact O-CD 3.07Å
267L73.3Confident73.3Confident49 Ų49105.3 Ų105.326%0.25756%0.557SS.*  trans-119.191-176.8-67.8169.9000109.8N263 C264 W269 L270 H271N263-L267 HydrophobicContact CB-CD1 4.38Å; N263-L267 PolarHBondContact O-N 3.05Å; C264-L267 PolarHBondContact O-N 3.43Å; L267-W269 HydrophobicContact CD1-CZ2 4.23Å; L267-W269 HydrophobicContact CD2-CZ2 4.11Å; L267-W269 PolarHBondContact O-N 3.32Å; L267-W269 VanDerWaalsContact O-N 3.13Å; L267-L270 HydrophobicContact CB-CB 4.41Å; L267-L270 HydrophobicContact CB-CD1 3.85Å; L267-L270 HydrophobicContact CB-CG 4.14Å; L267-L270 HydrophobicContact CD1-CD1 3.61Å; L267-L270 HydrophobicContact CG-CD1 4.4Å; L267-L270 PolarHBondContact O-N 2.89Å; L267-H271 PolarHBondContact O-CD2 2.94Å
268P66.9Low70.9Confident101 Ų101110.7 Ų110.766%0.65658%0.577SS**G310 helixtrans-58.9-29.8-172.6-23.832.5000114.2K266 L270 H271K266-P268 WeakPolarHBondContact O-CD 3.07Å; P268-L270 VanDerWaalsContact C-N 3.29Å; P268-L270 PolarHBondContact O-N 2.88Å; P268-H271 WeakPolarHBondContact O-CB 3.26Å; P268-H271 PolarHBondContact O-N 3.17Å
269W69.4Low68.3Low157 Ų157111.1 Ų111.160%0.59559%0.594SS**G310 helixtrans-75.8-11.7179.556.1-93.2000113.6L267 H271 I272L267-W269 HydrophobicContact CD1-CZ2 4.23Å; L267-W269 HydrophobicContact CD2-CZ2 4.11Å; L267-W269 PolarHBondContact O-N 3.32Å; L267-W269 VanDerWaalsContact O-N 3.13Å; W269-H271 VanDerWaalsContact C-N 3.33Å; W269-I272 WeakPolarHBondContact O-CD1 3.48Å; W269-I272 VanDerWaalsContact O-CG1 3.26Å; W269-I272 WeakPolarHBondContact O-CG1 3.41Å
270L67.1Low65.7Low66 Ų66112.3 Ų112.335%0.34661%0.612SS.*G310 helixtrans-83.9-6.8170.4-70.6176.9000112.8L260 L267 P268 I272L260-L270 HydrophobicContact CD2-CD1 4.4Å; L267-L270 HydrophobicContact CB-CB 4.41Å; L267-L270 HydrophobicContact CB-CD1 3.85Å; L267-L270 HydrophobicContact CB-CG 4.14Å; L267-L270 HydrophobicContact CD1-CD1 3.61Å; L267-L270 HydrophobicContact CG-CD1 4.4Å; L267-L270 PolarHBondContact O-N 2.89Å; P268-L270 VanDerWaalsContact C-N 3.29Å; P268-L270 PolarHBondContact O-N 2.88Å; L270-I272 VanDerWaalsContact C-N 3.27Å; L270-I272 PolarHBondContact O-N 2.97Å
271H64.1Low63.5Low91 Ų91114.6 Ų114.642%0.42163%0.629SS.*G310 helixtrans-81.6-2.8-178.9-73.1-135.6000113.8C264 L267 P268 W269 S273 R274C264-H271 PolarHBondContact O-CD2 3.39Å; C264-H271 VanDerWaalsContact O-CD2 3.23Å; C264-H271 PolarHBondContact O-NE2 3.27Å; L267-H271 PolarHBondContact O-CD2 2.94Å; P268-H271 WeakPolarHBondContact O-CB 3.26Å; P268-H271 PolarHBondContact O-N 3.17Å; W269-H271 VanDerWaalsContact C-N 3.33Å; H271-S273 PolarHBondContact O-N 3.26Å; H271-S273 VanDerWaalsContact O-N 3.09Å; H271-R274 PolarHBondContact O-N 2.83Å
272I60.7Low61.2Low134 Ų134112.8 Ų112.869%0.68764%0.636SS**G310 helixtrans-61.6-25.4-169.2-59.8171.4000112.1W269 L270W269-I272 WeakPolarHBondContact O-CD1 3.48Å; W269-I272 VanDerWaalsContact O-CG1 3.26Å; W269-I272 WeakPolarHBondContact O-CG1 3.41Å; L270-I272 VanDerWaalsContact C-N 3.27Å; L270-I272 PolarHBondContact O-N 2.97Å
273S57.3Low58.6Low117 Ų117110.4 Ų110.482%0.81865%0.645SS**G310 helixtrans-85-9.1178.6-53.80000115.3H271H271-S273 PolarHBondContact O-N 3.26Å; H271-S273 VanDerWaalsContact O-N 3.09Å
274R56.2Low56.4Low230 Ų230113.1 Ų113.187%0.86868%0.675SS**THydrogen-bonded Turntrans-90-15.9-177.5-156.6173.7-168.3172.33.9113.7H271H271-R274 PolarHBondContact O-N 2.83Å
275A53Low54.4Low97 Ų97115.5 Ų115.580%0.80270%0.698SS**SBendtrans-91.85-176.400000114.8
276G51.5Low52.6Low63 Ų63117 Ų11765%0.64971%0.707SS**SBendtrans-123.926-16500000117.2
277V50.3Low50.4Low138 Ų138122.3 Ų122.384%0.83673%0.734SS**  trans-139.971.4166.6-168.10000109.6
278K42.6Very low49.2Very low201 Ų201126 Ų12687%0.87476%0.758SS**  trans-113.785.9160.4-154.2174.9-174.7-1790106.3S280K278-S280 PolarHBondContact O-N 3.35Å
279A41.4Very low48.3Very low83 Ų83127.3 Ų127.369%0.68676%0.763SS**  trans-61.4105170.700000107.9T281A279-T281 VanDerWaalsContact C-N 3.28Å; A279-T281 PolarHBondContact O-N 3.41Å
280S37Very low47.1Very low113 Ų113125.6 Ų125.679%0.7977%0.772SS**  trans-66.987.5169.832.90000109.2K278 S282K278-S280 PolarHBondContact O-N 3.35Å; S280-S282 VanDerWaalsContact C-N 3.32Å; S280-S282 PolarHBondContact O-N 3.25Å
281T42.4Very low46Very low138 Ų138129.1 Ų129.185%0.84780%0.797SS**  trans-82.582.7156.427.80000107.6A279 G283A279-T281 VanDerWaalsContact C-N 3.28Å; A279-T281 PolarHBondContact O-N 3.41Å; T281-G283 PolarHBondContact O-N 3.42Å
282S38.6Very low44.8Very low111 Ų111131.5 Ų131.578%0.77682%0.821SS**  trans-84.498.5160.454.20000107.6S280 A284S280-S282 VanDerWaalsContact C-N 3.32Å; S280-S282 PolarHBondContact O-N 3.25Å; S282-A284 PolarHBondContact O-N 3.01Å
283G35.3Very low43.8Very low71 Ų71131.3 Ų131.373%0.73283%0.83SS**  trans-62.9128.3167.900000110.2T281 A285T281-G283 PolarHBondContact O-N 3.42Å; G283-A285 PolarHBondContact O-N 3.13Å
284A38.2Very low42.8Very low110 Ų110132.4 Ų132.491%0.90983%0.831SS**  trans-67.1112.2163.100000108.1S282S282-A284 PolarHBondContact O-N 3.01Å
285A38.7Very low41.8Very low94 Ų94124.8 Ų124.878%0.77783%0.828SS**  trans-109.5109.6168.200000108.3G283G283-A285 PolarHBondContact O-N 3.13Å
286V39Very low40.8Very low140 Ų140127.2 Ų127.285%0.84883%0.83SS**  trans7.2117.6145.1-170.20000116.9
287E35.2Very low39.9Very low264 Ų264133 Ų133100%1.23485%0.846SS**  -155.40118.3-110-175.1155.600110

Retrieved 287 of 287 residues in 61.1 ms (Link to these results)