A0A087XSV0_POEFO Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A087XSV0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 983 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
1M41.7Very low35.2Very low252 Ų252161 Ų161100%1.24184%0.843SS**  083.70-62.5173.6-177.100109.9
2A35.8Very low35.2Very low86 Ų86162.8 Ų162.871%0.71184%0.839SS**  trans-140.4-14.5-173.800000116.4
3F33.7Very low35.2Very low200 Ų200161.8 Ų161.888%0.87783%0.825SS**SBendtrans-94-10.2-173.1-85.9-89.5000115.7K5F3-K5 VanDerWaalsContact C-N 3.34Å; F3-K5 PolarHBondContact O-N 2.97Å
4A35.3Very low35.1Very low101 Ų101164.7 Ų164.784%0.83583%0.829SS**THydrogen-bonded Turntrans-87.214.3-173.600000115.6
5K35Very low36.1Very low183 Ų183161.6 Ų161.680%0.79682%0.815SS**THydrogen-bonded Turntrans-118.9-10-174.1-78.7-170.3174.5-177.60116.6F3F3-K5 VanDerWaalsContact C-N 3.34Å; F3-K5 PolarHBondContact O-N 2.97Å
6F32.9Very low37.3Very low181 Ų181158.4 Ų158.479%0.79479%0.794SS**G310 helixtrans-86.2-14.6-178.5-101.8-83.7000115.2K8F6-K8 PolarHBondContact O-N 3.46Å; F6-K8 VanDerWaalsContact O-N 3.12Å
7S32.1Very low38.5Very low117 Ų117160 Ų16082%0.81880%0.798SS**G310 helixtrans-80.118179.6-43.20000115
8K33Very low40.3Very low196 Ų196153.2 Ų153.285%0.85276%0.762SS**G310 helixtrans-127.312.1-178-81.9-168173.4-176.30115.3F6F6-K8 PolarHBondContact O-N 3.46Å; F6-K8 VanDerWaalsContact O-N 3.12Å
9I35.8Very low42.1Very low139 Ų139154 Ų15471%0.71376%0.763SS**  trans-117.946.2172-39.7-176.9000110.9
10I36.8Very low44.2Very low147 Ų147148.9 Ų148.975%0.75474%0.737SS**  trans-110.5104.9147.7-63.3179.2000105.7K12I10-K12 HydrophobicContact CG2-CG 4.28Å; I10-K12 PolarHBondContact O-N 2.89Å
11L35.1Very low46.3Very low169 Ų169142.4 Ų142.489%0.88571%0.706SS**  trans-70.781.4168.4-108.4162.9000108K13L11-K13 VanDerWaalsContact C-N 3.28Å; L11-K13 PolarHBondContact O-N 3.24Å
12K35.7Very low48.6Very low183 Ų183133 Ų13380%0.79666%0.664SS**  trans-59.499.7157.8-75.4-166.5175.2-169.60106.4I10 K14I10-K12 HydrophobicContact CG2-CG 4.28Å; I10-K12 PolarHBondContact O-N 2.89Å; K12-K14 PolarHBondContact O-N 3.17Å
13K34.9Very low50.9Low150 Ų150131 Ų13165%0.65264%0.639SS**  trans-45.6125.1154.5-80.5-178.8174.4173.90105.2L11 L15 E68L11-K13 VanDerWaalsContact C-N 3.28Å; L11-K13 PolarHBondContact O-N 3.24Å; K13-L15 PolarHBondContact O-N 3.48Å; K13-L15 VanDerWaalsContact O-N 3.08Å; K13-E68 IonicContact NZ-OE1 2.82Å; K13-E68 PolarHBondContact NZ-OE1 2.78Å
14K34.2Very low53.1Low202 Ų202129.2 Ų129.288%0.87864%0.638SS**  trans-60.7116.6166.3-76.3-172174.1-172.10105.6K12 K16K12-K14 PolarHBondContact O-N 3.17Å; K14-K16 PolarHBondContact O-N 3.07Å
15L49.1Very low55.6Low118 Ų118127 Ų12762%0.61861%0.614SS**  trans-55.8132.8172.3-75.975.2000107.1K13 Q17K13-L15 PolarHBondContact O-N 3.48Å; K13-L15 VanDerWaalsContact O-N 3.08Å; L15-Q17 PolarHBondContact O-N 2.9Å
16K55Low58.2Low110 Ų110119.8 Ų119.848%0.47858%0.584SS.*  trans-68.2106.6178.4-76.6179.9172.7175.90107.9K14 Y18 R23 E71K14-K16 PolarHBondContact O-N 3.07Å; K16-Y18 HydrophobicContact CB-CD1 4.5Å; K16-Y18 HydrophobicContact CB-CE1 3.83Å; K16-Y18 HydrophobicContact CD-CE1 4.4Å; K16-Y18 PolarHBondContact O-N 3.13Å; K16-R23 PolarHBondContact O-NH1 2.77Å; K16-R23 PolarHBondContact O-NH2 2.74Å; K16-E71 IonicContact NZ-OE1 3.18Å; K16-E71 PolarHBondContact NZ-OE1 3.26Å; K16-E71 IonicContact NZ-OE2 2.7Å; K16-E71 PolarHBondContact NZ-OE2 3.47Å
17Q58.2Low61.1Low186 Ų186111.1 Ų111.187%0.86955%0.546SS*.  trans-66.6121.9173.9-167.2166.9200108.2L15L15-Q17 PolarHBondContact O-N 2.9Å
18Y71.8Confident63.9Low38 Ų38108.8 Ų108.815%0.14953%0.525CS..  trans-102.4126.4178.2-61.2-53.6000106.6K16 H20 R23 L70 E71 M74K16-Y18 HydrophobicContact CB-CD1 4.5Å; K16-Y18 HydrophobicContact CB-CE1 3.83Å; K16-Y18 HydrophobicContact CD-CE1 4.4Å; K16-Y18 PolarHBondContact O-N 3.13Å; Y18-H20 VanDerWaalsContact C-N 3.25Å; Y18-H20 PolarHBondContact O-N 3.19Å; Y18-R23 VanDerWaalsContact CD2-NH2 3.34Å; Y18-L70 HydrophobicContact CD2-CD2 4.31Å; Y18-L70 HydrophobicContact CE2-CB 4.02Å; Y18-L70 HydrophobicContact CE2-CD2 4.04Å; Y18-E71 WeakPolarHBondContact OH-CG 3.4Å; Y18-M74 HydrophobicContact CD1-CG 3.84Å; Y18-M74 HydrophobicContact CD1-SD 3.97Å; Y18-M74 HydrophobicContact CD2-CG 4.33Å; Y18-M74 HydrophobicContact CD2-SD 3.71Å; Y18-M74 HydrophobicContact CE1-CG 3.81Å; Y18-M74 HydrophobicContact CE1-SD 4.39Å; Y18-M74 HydrophobicContact CE2-CG 4.31Å; Y18-M74 HydrophobicContact CE2-SD 4.17Å; Y18-M74 HydrophobicContact CG-CG 4.12Å; Y18-M74 HydrophobicContact CG-SD 3.61Å
19E74.7Confident66.8Low168 Ų168104.5 Ų104.579%0.78551%0.511SS*.THydrogen-bonded Turntrans-68.3-25.8-167.7-168.2175.8162.200113.1
20H83.8Confident69.5Low52 Ų52100.4 Ų100.424%0.24149%0.49CS..THydrogen-bonded Turntrans-114.320.9-173.8-53.5-39.7000113.3Y18 I77 D78 A81Y18-H20 VanDerWaalsContact C-N 3.25Å; Y18-H20 PolarHBondContact O-N 3.19Å; H20-I77 HydrophobicContact CB-CG2 3.82Å; H20-D78 IonicContact CD2-OD1 3.5Å; H20-A81 HydrophobicContact CB-CB 4.48Å
21V88.6Confident72.3Confident13 Ų1393.7 Ų93.78%0.07946%0.455CS..  trans-135.7115.8-179.4-173.80000112.2M74 I77 A94 L101V21-M74 HydrophobicContact CG2-CE 4.09Å; V21-M74 HydrophobicContact CG2-SD 3.76Å; V21-I77 HydrophobicContact CG2-CD1 3.74Å; V21-I77 HydrophobicContact CG2-CG2 4.42Å; V21-A94 HydrophobicContact CG2-CB 4.31Å; V21-L101 HydrophobicContact CG1-CD1 4.1Å
22S89.1Confident75.1Confident53 Ų5391.2 Ų91.237%0.37144%0.439SS..BIsolated β-bridgetrans-78.7123.6177.1-66.90000111.5A94 F95 Y96S22-A94 PolarHBondContact N-O 3.23Å; S22-F95 CarbonylContact O-C 3.51Å; S22-F95 VanDerWaalsContact O-CA 3.26Å; S22-F95 WeakPolarHBondContact O-CA 3.5Å; S22-Y96 PolarHBondContact O-N 3.11Å
23R84.4Confident77.9Confident45 Ų4585.5 Ų85.517%0.1742%0.416CS..SBendtrans-97.7-45.5-178.2-74.3-176.7166.788.1-12.8114.1K16 Y18 V25 E67 Y96K16-R23 PolarHBondContact O-NH1 2.77Å; K16-R23 PolarHBondContact O-NH2 2.74Å; Y18-R23 VanDerWaalsContact CD2-NH2 3.34Å; R23-V25 PolarHBondContact O-N 3.05Å; R23-E67 IonicContact CZ-OE1 3.74Å; R23-E67 IonicContact NE-OE1 2.7Å; R23-E67 PolarHBondContact NE-OE1 3.39Å; R23-E67 VanDerWaalsContact NE-OE1 3.14Å; R23-E67 IonicContact NH2-OE1 3.21Å; R23-E67 PolarHBondContact NH2-OE1 2.94Å; R23-Y96 WeakPolarHBondContact CA-O 3.03Å; R23-Y96 HydrophobicContact CG-CD1 4.34Å
24D79Confident80.5Confident163 Ų16382.3 Ų82.387%0.87241%0.41SS*.SBendtrans-89.526.1-169.7-50.6-77.6000113.3
25V88.5Confident82.9Confident55 Ų5574.2 Ų74.233%0.33338%0.383SS..SBendtrans-131.3122.5-176.1179.80000108.9R23 P27 I30 F95R23-V25 PolarHBondContact O-N 3.05Å; V25-P27 WeakPolarHBondContact O-CD 3.44Å; V25-I30 HydrophobicContact CG1-CD1 3.73Å; V25-F95 HydrophobicContact CB-CD1 4.21Å; V25-F95 HydrophobicContact CB-CE1 4.35Å; V25-F95 HydrophobicContact CG1-CD1 4.15Å; V25-F95 HydrophobicContact CG1-CE1 3.9Å
26N90.4Very high84.7Confident30 Ų3073.2 Ų73.216%0.1638%0.375CS..  trans-72.6117.2172.4172.624.5000109.2N28 D29 Y97N26-N28 PolarHBondContact O-N 3.38Å; N26-N28 VanDerWaalsContact O-N 3.15Å; N26-N28 WeakPolarHBondContact OD1-CB 3.37Å; N26-N28 PolarHBondContact OD1-N 2.88Å; N26-N28 PolarHBondContact OD1-ND2 3Å; N26-D29 PolarHBondContact ND2-OD1 3.17Å; N26-D29 WeakPolarHBondContact O-CB 3.23Å; N26-D29 PolarHBondContact O-N 3.45Å; N26-Y97 HydrophobicContact CB-CD1 4.39Å; N26-Y97 HydrophobicContact CB-CD2 4.25Å; N26-Y97 HydrophobicContact CB-CE1 4.05Å; N26-Y97 HydrophobicContact CB-CE2 3.89Å; N26-Y97 HydrophobicContact CB-CG 4.49Å
27P92.6Very high86Confident0 Ų072 Ų720%037%0.374CS..Hα-helixtrans-60.3-29.1-178.822.3-32000112.3V25 D29 I30 W31 F95 W102V25-P27 WeakPolarHBondContact O-CD 3.44Å; P27-D29 PolarHBondContact O-N 3.4Å; P27-I30 PolarHBondContact O-N 3.49Å; P27-W31 WeakPolarHBondContact O-CB 3.2Å; P27-W31 PolarHBondContact O-N 2.88Å; P27-F95 HydrophobicContact CB-CB 4.11Å; P27-F95 HydrophobicContact CB-CD2 3.78Å; P27-F95 HydrophobicContact CB-CE2 4.33Å; P27-F95 HydrophobicContact CB-CG 3.9Å; P27-F95 HydrophobicContact CG-CB 4.29Å; P27-W102 HydrophobicContact CB-CD2 3.86Å; P27-W102 HydrophobicContact CB-CE3 3.81Å; P27-W102 HydrophobicContact CB-CG 4.23Å; P27-W102 HydrophobicContact CB-CZ3 4.23Å; P27-W102 HydrophobicContact CG-CD2 3.46Å; P27-W102 VanDerWaalsContact CG-CD2 3.46Å; P27-W102 VanDerWaalsContact CG-CE2 3.45Å; P27-W102 HydrophobicContact CG-CE3 3.87Å; P27-W102 HydrophobicContact CG-CG 3.81Å; P27-W102 HydrophobicContact CG-CH2 4.25Å; P27-W102 HydrophobicContact CG-CZ2 3.89Å; P27-W102 HydrophobicContact CG-CZ3 4.23Å
28N92.4Very high86.8Confident68 Ų6864.5 Ų64.536%0.36435%0.346SS..Hα-helixtrans-68.9-12.1178.5-55.3-86.6000113.6N26 W31 K51 W102N26-N28 PolarHBondContact O-N 3.38Å; N26-N28 VanDerWaalsContact O-N 3.15Å; N26-N28 WeakPolarHBondContact OD1-CB 3.37Å; N26-N28 PolarHBondContact OD1-N 2.88Å; N26-N28 PolarHBondContact OD1-ND2 3Å; N28-W31 WeakPolarHBondContact CA-O 3.32Å; N28-K51 PolarHBondContact O-NZ 2.84Å; N28-W102 WeakPolarHBondContact OD1-CH2 3.32Å
29D91.9Very high86.9Confident106 Ų10667.1 Ų67.157%0.56736%0.363SS*.Hα-helixtrans-76.6-42.1175.2-65.1-11.7000110N26 P27 K51N26-D29 PolarHBondContact ND2-OD1 3.17Å; N26-D29 WeakPolarHBondContact O-CB 3.23Å; N26-D29 PolarHBondContact O-N 3.45Å; P27-D29 PolarHBondContact O-N 3.4Å; D29-K51 WeakPolarHBondContact O-CD 3.25Å; D29-K51 WeakPolarHBondContact O-CE 3.17Å; D29-K51 PolarHBondContact O-NZ 3.05Å
30I93.6Very high86.4Confident53 Ų5360.7 Ų60.727%0.27234%0.342SS..Hα-helixtrans-86.8-39.6-178.1-59.2171000112.1V25 P27 N50 K51 F95V25-I30 HydrophobicContact CG1-CD1 3.73Å; P27-I30 PolarHBondContact O-N 3.49Å; I30-N50 WeakPolarHBondContact CG2-ND2 3.37Å; I30-K51 WeakPolarHBondContact O-CG 3.34Å; I30-K51 PolarHBondContact O-N 3.41Å; I30-F95 HydrophobicContact CD1-CE1 3.98Å; I30-F95 HydrophobicContact CD1-CZ 4.01Å
31W95.1Very high85.4Confident6 Ų662.7 Ų62.72%0.02337%0.367CS..EExtended strand (participates in β ladder)trans-115.5132.6-171.4-66.694.1000111.3P27 N28 A48 C49 N50 V55 A57 L92 D93 F95 M104P27-W31 WeakPolarHBondContact O-CB 3.2Å; P27-W31 PolarHBondContact O-N 2.88Å; N28-W31 WeakPolarHBondContact CA-O 3.32Å; W31-A48 HydrophobicContact CB-CB 4.47Å; W31-A48 HydrophobicContact CE3-CB 3.89Å; W31-C49 CarbonylContact C-O 3.59Å; W31-C49 WeakPolarHBondContact CA-O 3.47Å; W31-C49 VanDerWaalsContact CE3-C 3.48Å; W31-N50 HydrophobicContact CD2-CB 4.16Å; W31-N50 HydrophobicContact CE3-CB 3.8Å; W31-N50 VanDerWaalsContact CE3-N 3.29Å; W31-N50 HydrophobicContact CH2-CB 3.73Å; W31-N50 HydrophobicContact CZ2-CB 4.1Å; W31-N50 HydrophobicContact CZ3-CB 3.57Å; W31-V55 WeakPolarHBondContact CZ3-O 3.31Å; W31-A57 HydrophobicContact CE3-CB 4.06Å; W31-A57 HydrophobicContact CH2-CB 3.65Å; W31-A57 HydrophobicContact CZ3-CB 3.34Å; W31-L92 HydrophobicContact CH2-CD1 4.01Å; W31-D93 PolarHBondContact NE1-OD2 3.49Å; W31-F95 AromaticContact CD1-CE2 3.82Å; W31-F95 AromaticContact NE1-CE2 3.78Å; W31-M104 HydrophobicContact CB-CE 4.07Å; W31-M104 HydrophobicContact CD2-CE 3.48Å; W31-M104 VanDerWaalsContact CD2-CE 3.48Å; W31-M104 HydrophobicContact CE3-CE 3.77Å; W31-M104 HydrophobicContact CG-CE 3.61Å; W31-M104 HydrophobicContact CZ3-CE 4.4Å
32E94.4Very high84.4Confident116 Ų11665.9 Ų65.954%0.54238%0.38SS..EExtended strand (participates in β ladder)trans-99.9130.9173-179.8173.3-147.200110.1V34 A48 C49 K51E32-V34 PolarHBondContact O-N 2.85Å; E32-A48 CarbonylContact O-C 3.48Å; E32-A48 WeakPolarHBondContact O-CA 3.42Å; E32-C49 PolarHBondContact N-O 2.6Å; E32-C49 PolarHBondContact O-N 3.49Å; E32-K51 HydrophobicContact CB-CG 4.17Å
33I93.8Very high83.8Confident63 Ų6364.3 Ų64.332%0.32337%0.372SS..EExtended strand (participates in β ladder)trans-80.7114.6174.4-62.7-51.9000109.9Y46 A48 A59 W102I33-Y46 HydrophobicContact CD1-CG 4.43Å; I33-Y46 HydrophobicContact CG2-CD1 3.93Å; I33-Y46 HydrophobicContact CG2-CG 4.2Å; I33-A48 HydrophobicContact CD1-CB 3.94Å; I33-A59 HydrophobicContact CD1-CB 4.45Å; I33-W102 HydrophobicContact CD1-CZ3 3.98Å; I33-W102 HydrophobicContact CG1-CZ3 4.39Å
34V89.1Confident83.8Confident84 Ų8464.9 Ų64.951%0.50938%0.376SS..EExtended strand (participates in β ladder)trans-90.7-22.9-177.6-173.30000111.9E32 K47 C49E32-V34 PolarHBondContact O-N 2.85Å; V34-K47 HydrophobicContact CB-CG 4.45Å; V34-K47 PolarHBondContact N-O 3.26Å; V34-C49 HydrophobicContact CG2-CB 3.69Å
35G84.6Confident84.3Confident31 Ų3158.8 Ų58.832%0.3234%0.344SS..EExtended strand (participates in β ladder)trans171.9179.1177.400000113.2Y46 K47G35-Y46 CarbonylContact O-C 3.59Å; G35-Y46 WeakPolarHBondContact O-CA 3.43Å; G35-Y46 WeakPolarHBondContact O-CB 3.29Å; G35-K47 PolarHBondContact N-O 2.94Å; G35-K47 PolarHBondContact O-N 3.49Å
36E88.5Confident84.5Confident97 Ų9759 Ų5945%0.45334%0.34SS..EExtended strand (participates in β ladder)trans-98.2136.9175.6-163171128.600110.2K44 Y46E36-K44 IonicContact OE1-NZ 2.66Å; E36-K44 PolarHBondContact OE1-NZ 3.47Å; E36-K44 IonicContact OE2-NZ 2.73Å; E36-Y46 HydrophobicContact CB-CD1 4.11Å; E36-Y46 HydrophobicContact CB-CE1 4.29Å; E36-Y46 HydrophobicContact CG-CD1 4.07Å; E36-Y46 HydrophobicContact CG-CE1 4.01Å
37L81.3Confident84.7Confident85 Ų8560.3 Ų60.345%0.44534%0.344SS..EExtended strand (participates in β ladder)trans-101.5-32.7178.2-66.1173000112V45 K47 A58 F107L37-V45 WeakPolarHBondContact CA-O 3.17Å; L37-V45 HydrophobicContact CB-CG1 4.32Å; L37-V45 WeakPolarHBondContact CB-O 3.49Å; L37-V45 HydrophobicContact CD1-CG1 4.32Å; L37-V45 PolarHBondContact N-O 2.83Å; L37-K47 HydrophobicContact CD1-CB 4.01Å; L37-K47 HydrophobicContact CD2-CB 4.03Å; L37-K47 HydrophobicContact CG-CB 3.91Å; L37-A58 HydrophobicContact CD1-CB 4Å; L37-F107 HydrophobicContact CD1-CD2 4.05Å; L37-F107 HydrophobicContact CD1-CE2 3.87Å; L37-F107 HydrophobicContact CD2-CE2 3.91Å
38G75.9Confident84.8Confident28 Ų2860.3 Ų60.329%0.28934%0.344SS..EExtended strand (participates in β ladder)trans165.3175172.900000114.3V45G38-V45 PolarHBondContact N-O 2.53Å; G38-V45 PolarHBondContact O-N 2.97Å
39D72.1Confident84.9Confident94 Ų9458.4 Ų58.450%0.50334%0.336SS..EExtended strand (participates in β ladder)trans-88.4115.8170.9-71.2-54.4000109.7K44 Q629D39-K44 WeakPolarHBondContact OD1-CE 3.21Å; D39-K44 VanDerWaalsContact OD1-CG 3.31Å; D39-K44 WeakPolarHBondContact OD1-CG 3.48Å; D39-K44 IonicContact OD1-NZ 3.15Å; D39-K44 PolarHBondContact OD1-NZ 2.64Å; D39-K44 IonicContact OD2-NZ 2.69Å; D39-Q629 PolarHBondContact OD2-NE2 2.98Å
40G64.3Low85Confident33 Ų3354.1 Ų54.134%0.3431%0.313SS..EExtended strand (participates in β ladder)trans-91.6164.8171.700000112.1F42 G43G40-F42 PolarHBondContact O-N 3.45Å; G40-G43 CarbonylContact C-O 3.6Å; G40-G43 WeakPolarHBondContact CA-O 3.48Å; G40-G43 PolarHBondContact N-O 2.99Å; G40-G43 PolarHBondContact O-N 2.91Å
41A63.6Low85Confident93 Ų9357 Ų5777%0.76932%0.323SS*.THydrogen-bonded Turntrans-58.7-20.4-174.700000115.2
42F68.3Low84.9Confident81 Ų8165.2 Ų65.236%0.35536%0.362SS..THydrogen-bonded Turntrans-120.6-3.4-177.2-55.4-79.2000114G40 I62 Y73G40-F42 PolarHBondContact O-N 3.45Å; F42-I62 HydrophobicContact CB-CD1 4.2Å; F42-Y73 HydrophobicContact CB-CE1 3.97Å; F42-Y73 AromaticContact CD1-CE1 3.96Å; F42-Y73 HydrophobicContact CD1-CE1 3.96Å; F42-Y73 HydrophobicContact CG-CE1 4.05Å
43G76.6Confident84.8Confident20 Ų2064.1 Ų64.121%0.20636%0.363CS..EExtended strand (participates in β ladder)trans164173-172.900000113.8G40 V61G40-G43 CarbonylContact C-O 3.6Å; G40-G43 WeakPolarHBondContact CA-O 3.48Å; G40-G43 PolarHBondContact N-O 2.99Å; G40-G43 PolarHBondContact O-N 2.91Å; G43-V61 CarbonylContact C-O 3.39Å; G43-V61 WeakPolarHBondContact CA-O 3.46Å
44K84.5Confident84.6Confident56 Ų5663.4 Ų63.424%0.24337%0.372CS..EExtended strand (participates in β ladder)trans-77.9143.2179.9-81.8-173.6173.1-63.10111.5E36 D39 Y46 V61E36-K44 IonicContact OE1-NZ 2.66Å; E36-K44 PolarHBondContact OE1-NZ 3.47Å; E36-K44 IonicContact OE2-NZ 2.73Å; D39-K44 WeakPolarHBondContact OD1-CE 3.21Å; D39-K44 VanDerWaalsContact OD1-CG 3.31Å; D39-K44 WeakPolarHBondContact OD1-CG 3.48Å; D39-K44 IonicContact OD1-NZ 3.15Å; D39-K44 PolarHBondContact OD1-NZ 2.64Å; D39-K44 IonicContact OD2-NZ 2.69Å; K44-Y46 HydrophobicContact CB-CD2 4.34Å; K44-Y46 HydrophobicContact CB-CE2 3.58Å; K44-Y46 WeakPolarHBondContact CD-OH 3.28Å; K44-V61 PolarHBondContact N-O 2.85Å; K44-V61 VanDerWaalsContact N-O 3.13Å; K44-V61 PolarHBondContact O-N 3.3Å
45V89.8Confident84.7Confident36 Ų3662.7 Ų62.722%0.21837%0.367CS..EExtended strand (participates in β ladder)trans-110.5119.5174.8-172.30000109L37 G38 A58 A59 K60L37-V45 WeakPolarHBondContact CA-O 3.17Å; L37-V45 HydrophobicContact CB-CG1 4.32Å; L37-V45 WeakPolarHBondContact CB-O 3.49Å; L37-V45 HydrophobicContact CD1-CG1 4.32Å; L37-V45 PolarHBondContact N-O 2.83Å; G38-V45 PolarHBondContact N-O 2.53Å; G38-V45 PolarHBondContact O-N 2.97Å; V45-A58 HydrophobicContact CG1-CB 4.05Å; V45-A59 WeakPolarHBondContact CA-O 3.4Å; V45-K60 HydrophobicContact CG2-CG 4.45Å
46Y92.3Very high85.1Confident60 Ų6064.3 Ų64.324%0.23537%0.368CS..EExtended strand (participates in β ladder)trans-108.8153.5179.7-60.3-82.9000111.6I33 G35 E36 K44 A58 A59 V61I33-Y46 HydrophobicContact CD1-CG 4.43Å; I33-Y46 HydrophobicContact CG2-CD1 3.93Å; I33-Y46 HydrophobicContact CG2-CG 4.2Å; G35-Y46 CarbonylContact O-C 3.59Å; G35-Y46 WeakPolarHBondContact O-CA 3.43Å; G35-Y46 WeakPolarHBondContact O-CB 3.29Å; E36-Y46 HydrophobicContact CB-CD1 4.11Å; E36-Y46 HydrophobicContact CB-CE1 4.29Å; E36-Y46 HydrophobicContact CG-CD1 4.07Å; E36-Y46 HydrophobicContact CG-CE1 4.01Å; K44-Y46 HydrophobicContact CB-CD2 4.34Å; K44-Y46 HydrophobicContact CB-CE2 3.58Å; K44-Y46 WeakPolarHBondContact CD-OH 3.28Å; Y46-A58 CarbonylContact O-C 3.59Å; Y46-A58 WeakPolarHBondContact O-CA 3.3Å; Y46-A59 PolarHBondContact N-O 3.02Å; Y46-A59 PolarHBondContact O-N 3.25Å; Y46-V61 HydrophobicContact CD2-CB 4.26Å; Y46-V61 HydrophobicContact CD2-CG2 3.83Å; Y46-V61 HydrophobicContact CE2-CB 4.1Å; Y46-V61 HydrophobicContact CE2-CG2 4.1Å
47K93.3Very high85.5Confident57 Ų5759.7 Ų59.725%0.24835%0.347CS..EExtended strand (participates in β ladder)trans-84.5122.5164-171.1-179.2-179.5-174.50108.1V34 G35 L37 F107V34-K47 HydrophobicContact CB-CG 4.45Å; V34-K47 PolarHBondContact N-O 3.26Å; G35-K47 PolarHBondContact N-O 2.94Å; G35-K47 PolarHBondContact O-N 3.49Å; L37-K47 HydrophobicContact CD1-CB 4.01Å; L37-K47 HydrophobicContact CD2-CB 4.03Å; L37-K47 HydrophobicContact CG-CB 3.91Å; K47-F107 HydrophobicContact CD-CE1 4.47Å; K47-F107 HydrophobicContact CD-CE2 4.16Å; K47-F107 HydrophobicContact CD-CZ 4.06Å; K47-F107 HydrophobicContact CG-CD2 4.24Å; K47-F107 HydrophobicContact CG-CE2 4.15Å
48A95Very high86.1Confident0 Ų056.1 Ų56.10%033%0.33CS..EExtended strand (participates in β ladder)trans-116.1154.4177.400000111.5W31 E32 I33 L56 A57 A59 M104W31-A48 HydrophobicContact CB-CB 4.47Å; W31-A48 HydrophobicContact CE3-CB 3.89Å; E32-A48 CarbonylContact O-C 3.48Å; E32-A48 WeakPolarHBondContact O-CA 3.42Å; I33-A48 HydrophobicContact CD1-CB 3.94Å; A48-L56 WeakPolarHBondContact O-CA 3.31Å; A48-A57 HydrophobicContact CB-CB 4.45Å; A48-A57 PolarHBondContact N-O 3.36Å; A48-A57 PolarHBondContact O-N 2.86Å; A48-A59 HydrophobicContact CB-CB 4.25Å; A48-M104 HydrophobicContact CB-CE 3.74Å
49C94.7Very high87Confident28 Ų2854.8 Ų54.819%0.18932%0.316CS..EExtended strand (participates in β ladder)trans-123131.1171.4-170.20000109.3W31 E32 V34 K51 L56W31-C49 CarbonylContact C-O 3.59Å; W31-C49 WeakPolarHBondContact CA-O 3.47Å; W31-C49 VanDerWaalsContact CE3-C 3.48Å; E32-C49 PolarHBondContact N-O 2.6Å; E32-C49 PolarHBondContact O-N 3.49Å; V34-C49 HydrophobicContact CG2-CB 3.69Å; C49-K51 PolarHBondContact O-N 2.93Å; C49-L56 HydrophobicContact CB-CD2 3.99Å
50N94.9Very high87.9Confident16 Ų1651.4 Ų51.49%0.08630%0.297CS..EExtended strand (participates in β ladder)trans-75.3122.4173.5-179-80.4000109.1I30 W31 E52 T53 G54 V55I30-N50 WeakPolarHBondContact CG2-ND2 3.37Å; W31-N50 HydrophobicContact CD2-CB 4.16Å; W31-N50 HydrophobicContact CE3-CB 3.8Å; W31-N50 VanDerWaalsContact CE3-N 3.29Å; W31-N50 HydrophobicContact CH2-CB 3.73Å; W31-N50 HydrophobicContact CZ2-CB 4.1Å; W31-N50 HydrophobicContact CZ3-CB 3.57Å; N50-E52 VanDerWaalsContact C-N 3.29Å; N50-E52 PolarHBondContact O-N 3.27Å; N50-E52 PolarHBondContact OD1-N 3.28Å; N50-T53 WeakPolarHBondContact CB-OG1 3.3Å; N50-T53 PolarHBondContact OD1-N 2.96Å; N50-T53 PolarHBondContact OD1-OG1 2.83Å; N50-G54 WeakPolarHBondContact O-CA 3.22Å; N50-G54 PolarHBondContact O-N 3.35Å; N50-V55 HydrophobicContact CB-CB 4.35Å; N50-V55 PolarHBondContact N-O 2.69Å
51K92.9Very high89.3Confident113 Ų11350.6 Ų50.649%0.49129%0.285SS..THydrogen-bonded Turntrans-68.9-23.8-170.5-63.3-179.6-162.8162.60114.3N28 D29 I30 E32 C49N28-K51 PolarHBondContact O-NZ 2.84Å; D29-K51 WeakPolarHBondContact O-CD 3.25Å; D29-K51 WeakPolarHBondContact O-CE 3.17Å; D29-K51 PolarHBondContact O-NZ 3.05Å; I30-K51 WeakPolarHBondContact O-CG 3.34Å; I30-K51 PolarHBondContact O-N 3.41Å; E32-K51 HydrophobicContact CB-CG 4.17Å; C49-K51 PolarHBondContact O-N 2.93Å
52E92.6Very high90.5Very high179 Ų17946.2 Ų46.284%0.83625%0.249SC*.THydrogen-bonded Turntrans-89.4-38.8-179.5-59.9-172157.900112.3N50N50-E52 VanDerWaalsContact C-N 3.29Å; N50-E52 PolarHBondContact O-N 3.27Å; N50-E52 PolarHBondContact OD1-N 3.28Å
53T92.3Very high91.5Very high92 Ų9249 Ų4956%0.56426%0.263SS*.THydrogen-bonded Turntrans-107.8-13.9-170.461.80000114.4N50 V55N50-T53 WeakPolarHBondContact CB-OG1 3.3Å; N50-T53 PolarHBondContact OD1-N 2.96Å; N50-T53 PolarHBondContact OD1-OG1 2.83Å; T53-V55 PolarHBondContact O-N 3.26Å; T53-V55 WeakPolarHBondContact OG1-CG2 3.34Å; T53-V55 PolarHBondContact OG1-N 2.99Å
54G89.9Confident91.9Very high49 Ų4948.4 Ų48.451%0.50526%0.255SS..  trans69.95.7-173.900000114.7N50N50-G54 WeakPolarHBondContact O-CA 3.22Å; N50-G54 PolarHBondContact O-N 3.35Å
55V92.3Very high91.6Very high69 Ų6954.3 Ų54.342%0.41828%0.281SS..  trans-66.3133.8179.3173.20000110.3W31 N50 T53 L92W31-V55 WeakPolarHBondContact CZ3-O 3.31Å; N50-V55 HydrophobicContact CB-CB 4.35Å; N50-V55 PolarHBondContact N-O 2.69Å; T53-V55 PolarHBondContact O-N 3.26Å; T53-V55 WeakPolarHBondContact OG1-CG2 3.34Å; T53-V55 PolarHBondContact OG1-N 2.99Å; V55-L92 HydrophobicContact CG1-CD1 4.31Å
56L93.1Very high90.9Very high64 Ų6455.2 Ų55.234%0.33529%0.289SS..EExtended strand (participates in β ladder)trans-90.5135.3176.1-65.8176.9000111.5A48 C49 F107A48-L56 WeakPolarHBondContact O-CA 3.31Å; C49-L56 HydrophobicContact CB-CD2 3.99Å; L56-F107 HydrophobicContact CB-CB 3.72Å; L56-F107 HydrophobicContact CB-CD1 3.93Å; L56-F107 HydrophobicContact CB-CG 4.07Å; L56-F107 HydrophobicContact CD1-CD1 3.89Å; L56-F107 HydrophobicContact CD1-CE1 4.29Å; L56-F107 VanDerWaalsContact O-CB 3.31Å; L56-F107 WeakPolarHBondContact O-CB 3.28Å; L56-F107 PolarHBondContact O-N 3.05Å
57A95.8Very high89.9Confident0 Ų055 Ų550%029%0.29CS..EExtended strand (participates in β ladder)trans-126158.6175.100000111.8W31 A48 L92 M104 I105W31-A57 HydrophobicContact CE3-CB 4.06Å; W31-A57 HydrophobicContact CH2-CB 3.65Å; W31-A57 HydrophobicContact CZ3-CB 3.34Å; A48-A57 HydrophobicContact CB-CB 4.45Å; A48-A57 PolarHBondContact N-O 3.36Å; A48-A57 PolarHBondContact O-N 2.86Å; A57-L92 HydrophobicContact CB-CD1 3.82Å; A57-M104 HydrophobicContact CB-CE 4.15Å; A57-I105 CarbonylContact C-O 3.54Å; A57-I105 VanDerWaalsContact CA-O 3.25Å; A57-I105 WeakPolarHBondContact CA-O 3.34Å; A57-I105 WeakPolarHBondContact CB-O 3.47Å
58A94.4Very high89Confident11 Ų1157.9 Ų57.99%0.09130%0.304CS..EExtended strand (participates in β ladder)trans-96123.9155.800000108.5L37 V45 Y46 I105L37-A58 HydrophobicContact CD1-CB 4Å; V45-A58 HydrophobicContact CG1-CB 4.05Å; Y46-A58 CarbonylContact O-C 3.59Å; Y46-A58 WeakPolarHBondContact O-CA 3.3Å; A58-I105 HydrophobicContact CB-CG1 3.94Å; A58-I105 PolarHBondContact N-O 2.93Å; A58-I105 PolarHBondContact O-N 2.82Å
59A94Very high88.2Confident0 Ų060.6 Ų60.60%032%0.317CS..EExtended strand (participates in β ladder)trans-101.8104.1179.300000109.5I33 V45 Y46 A48 V61 W102 M104I33-A59 HydrophobicContact CD1-CB 4.45Å; V45-A59 WeakPolarHBondContact CA-O 3.4Å; Y46-A59 PolarHBondContact N-O 3.02Å; Y46-A59 PolarHBondContact O-N 3.25Å; A48-A59 HydrophobicContact CB-CB 4.25Å; A59-V61 HydrophobicContact CB-CG2 4.3Å; A59-V61 PolarHBondContact O-N 3.3Å; A59-W102 HydrophobicContact CB-CE3 4.48Å; A59-M104 HydrophobicContact CB-CE 3.66Å; A59-M104 HydrophobicContact CB-SD 3.51Å; A59-M104 VanDerWaalsContact CB-SD 3.51Å
60K92.2Very high87.4Confident22 Ų2259.3 Ų59.310%0.09631%0.308CS..EExtended strand (participates in β ladder)trans-80.9104.9172.3-169.8-175.4-164.9-179.70107.1V45 I62 E76 I103 D170V45-K60 HydrophobicContact CG2-CG 4.45Å; K60-I62 HydrophobicContact CD-CD1 4.46Å; K60-I62 HydrophobicContact CG-CD1 4.36Å; K60-I62 HydrophobicContact CG-CG1 4.44Å; K60-E76 IonicContact NZ-OE1 3.85Å; K60-E76 PolarHBondContact NZ-OE1 3.26Å; K60-E76 IonicContact NZ-OE2 2.78Å; K60-E76 PolarHBondContact NZ-OE2 3.47Å; K60-I103 HydrophobicContact CB-CB 4.28Å; K60-I103 PolarHBondContact N-O 2.97Å; K60-I103 PolarHBondContact O-N 3.49Å; K60-D170 IonicContact NZ-OD1 2.77Å; K60-D170 PolarHBondContact NZ-OD1 2.87Å
61V91.9Very high86.7Confident16 Ų1661.7 Ų61.710%0.09732%0.318CS..EExtended strand (participates in β ladder)trans-107118.9-175.6-1760000109.8G43 K44 Y46 A59 K100 L101 W102G43-V61 CarbonylContact C-O 3.39Å; G43-V61 WeakPolarHBondContact CA-O 3.46Å; K44-V61 PolarHBondContact N-O 2.85Å; K44-V61 VanDerWaalsContact N-O 3.13Å; K44-V61 PolarHBondContact O-N 3.3Å; Y46-V61 HydrophobicContact CD2-CB 4.26Å; Y46-V61 HydrophobicContact CD2-CG2 3.83Å; Y46-V61 HydrophobicContact CE2-CB 4.1Å; Y46-V61 HydrophobicContact CE2-CG2 4.1Å; A59-V61 HydrophobicContact CB-CG2 4.3Å; A59-V61 PolarHBondContact O-N 3.3Å; V61-K100 HydrophobicContact CG1-CB 4.23Å; V61-K100 HydrophobicContact CG1-CD 4.34Å; V61-L101 WeakPolarHBondContact CA-O 3.27Å; V61-W102 HydrophobicContact CG1-CD2 4.26Å; V61-W102 HydrophobicContact CG1-CG 4.43Å; V61-W102 HydrophobicContact CG1-CZ2 4.38Å; V61-W102 HydrophobicContact CG2-CD2 3.64Å; V61-W102 HydrophobicContact CG2-CE3 3.67Å; V61-W102 HydrophobicContact CG2-CG 4.1Å; V61-W102 HydrophobicContact CG2-CH2 4.45Å; V61-W102 HydrophobicContact CG2-CZ2 4.42Å; V61-W102 HydrophobicContact CG2-CZ3 4.11Å
62I90.4Very high85.8Confident1 Ų160.7 Ų60.71%0.00532%0.318CS..EExtended strand (participates in β ladder)trans-120.5121-170.7-60.1176.1000108.2F42 K60 T64 Y73 K100 L101F42-I62 HydrophobicContact CB-CD1 4.2Å; K60-I62 HydrophobicContact CD-CD1 4.46Å; K60-I62 HydrophobicContact CG-CD1 4.36Å; K60-I62 HydrophobicContact CG-CG1 4.44Å; I62-T64 HydrophobicContact CG2-CG2 4.36Å; I62-Y73 HydrophobicContact CD1-CD1 3.8Å; I62-Y73 HydrophobicContact CD1-CE1 3.8Å; I62-Y73 HydrophobicContact CD1-CG 4.36Å; I62-Y73 HydrophobicContact CG2-CD2 4.44Å; I62-Y73 HydrophobicContact CG2-CE1 4.2Å; I62-Y73 HydrophobicContact CG2-CE2 3.81Å; I62-K100 CarbonylContact O-C 3.55Å; I62-K100 VanDerWaalsContact O-CA 3.3Å; I62-K100 WeakPolarHBondContact O-CA 2.91Å; I62-L101 HydrophobicContact CB-CB 4.37Å; I62-L101 PolarHBondContact N-O 2.83Å; I62-L101 PolarHBondContact O-N 3.44Å
63E89Confident85.3Confident139 Ų13954.3 Ų54.365%0.6529%0.287SS*.EExtended strand (participates in β ladder)trans-84123.9174.9-67.7-174.6165.200110.2K100E63-K100 HydrophobicContact CG-CD 3.93Å; E63-K100 HydrophobicContact CG-CG 4.12Å; E63-K100 WeakPolarHBondContact OE1-CE 3.41Å; E63-K100 IonicContact OE1-NZ 2.69Å; E63-K100 PolarHBondContact OE1-NZ 3.42Å
64T83.8Confident84.9Confident9 Ų950.8 Ų50.86%0.05526%0.264CS..  trans-111.4142.9179.163.20000110.6I62 E69 L70 Y73 Y96 N99I62-T64 HydrophobicContact CG2-CG2 4.36Å; T64-E69 WeakPolarHBondContact CA-OE2 3.48Å; T64-E69 HydrophobicContact CG2-CB 4.43Å; T64-L70 HydrophobicContact CG2-CD1 4.17Å; T64-Y73 HydrophobicContact CG2-CE2 4.39Å; T64-Y96 WeakPolarHBondContact OG1-CE2 3.44Å; T64-N99 PolarHBondContact N-O 3.24Å; T64-N99 PolarHBondContact OG1-O 3.47Å
65K79.3Confident84.4Confident179 Ų17950.2 Ų50.278%0.77825%0.251SS*.SBendtrans-85.6-25.3179.1-55.4-173-157.177.70112.5E69K65-E69 PolarHBondContact N-OE2 3.16Å; K65-E69 IonicContact NZ-OE1 2.72Å; K65-E69 PolarHBondContact NZ-OE1 2.88Å
66C74.7Confident84.1Confident56 Ų5647.4 Ų47.438%0.37823%0.233SC..SBendtrans-156.6160.6175.767.10000111.3E68 E69C66-E68 PolarHBondContact O-N 3.47Å; C66-E69 PolarHBondContact O-N 3.48Å; C66-E69 VanDerWaalsContact O-N 3.1Å
67E71.8Confident83.9Confident56 Ų5644.4 Ų44.426%0.26222%0.217SC..G310 helixtrans-63.9-15.7-178.2-162.2-179.5-15600113.7R23 L70R23-E67 IonicContact CZ-OE1 3.74Å; R23-E67 IonicContact NE-OE1 2.7Å; R23-E67 PolarHBondContact NE-OE1 3.39Å; R23-E67 VanDerWaalsContact NE-OE1 3.14Å; R23-E67 IonicContact NH2-OE1 3.21Å; R23-E67 PolarHBondContact NH2-OE1 2.94Å; E67-L70 HydrophobicContact CG-CD1 4.4Å; E67-L70 PolarHBondContact O-N 3.36Å
68E74.4Confident83.6Confident116 Ų11646.9 Ų46.954%0.54223%0.231SC..G310 helixtrans-76.8-22178-55.7-170.2154.700112.2K13 C66 L70K13-E68 IonicContact NZ-OE1 2.82Å; K13-E68 PolarHBondContact NZ-OE1 2.78Å; C66-E68 PolarHBondContact O-N 3.47Å; E68-L70 PolarHBondContact O-N 3.01Å
69E77.2Confident83.2Confident58 Ų5846.3 Ų46.327%0.27123%0.226SC..G310 helixtrans-71.1-16.6171.7-68.7179.1163.700112.2T64 K65 C66 E71 Y73T64-E69 WeakPolarHBondContact CA-OE2 3.48Å; T64-E69 HydrophobicContact CG2-CB 4.43Å; K65-E69 PolarHBondContact N-OE2 3.16Å; K65-E69 IonicContact NZ-OE1 2.72Å; K65-E69 PolarHBondContact NZ-OE1 2.88Å; C66-E69 PolarHBondContact O-N 3.48Å; C66-E69 VanDerWaalsContact O-N 3.1Å; E69-E71 VanDerWaalsContact C-N 3.29Å; E69-E71 PolarHBondContact O-N 2.9Å; E69-Y73 VanDerWaalsContact O-CD2 3.29Å; E69-Y73 WeakPolarHBondContact O-CD2 3.49Å
70L79.1Confident83.1Confident0 Ų046.6 Ų46.60%023%0.228CC..Hα-helixtrans-66.3-29.8177.1-87.684000112.8Y18 T64 E67 E68 D72 Y73 M74 Y96 L101Y18-L70 HydrophobicContact CD2-CD2 4.31Å; Y18-L70 HydrophobicContact CE2-CB 4.02Å; Y18-L70 HydrophobicContact CE2-CD2 4.04Å; T64-L70 HydrophobicContact CG2-CD1 4.17Å; E67-L70 HydrophobicContact CG-CD1 4.4Å; E67-L70 PolarHBondContact O-N 3.36Å; E68-L70 PolarHBondContact O-N 3.01Å; L70-D72 PolarHBondContact O-N 2.65Å; L70-Y73 PolarHBondContact O-N 2.96Å; L70-M74 HydrophobicContact CB-CE 4.09Å; L70-M74 HydrophobicContact CD2-CE 4.09Å; L70-M74 HydrophobicContact CG-CE 4.31Å; L70-M74 WeakPolarHBondContact O-CE 3.38Å; L70-M74 WeakPolarHBondContact O-CG 3.37Å; L70-M74 PolarHBondContact O-N 3.45Å; L70-Y96 HydrophobicContact CD1-CD2 3.96Å; L70-Y96 HydrophobicContact CD1-CE1 4.49Å; L70-Y96 HydrophobicContact CD1-CE2 3.55Å; L70-Y96 HydrophobicContact CD2-CD1 4.33Å; L70-Y96 HydrophobicContact CD2-CD2 3.79Å; L70-Y96 HydrophobicContact CD2-CE2 4.23Å; L70-Y96 HydrophobicContact CD2-CG 3.83Å; L70-Y96 HydrophobicContact CG-CD2 4.32Å; L70-Y96 HydrophobicContact CG-CE2 4.39Å; L70-L101 HydrophobicContact CD2-CD1 4.38Å
71E78.6Confident83Confident66 Ų6647.7 Ų47.731%0.30824%0.241SC..Hα-helixtrans-59.3-32.4-174.6-67.9-172.1-151.700112.8K16 Y18 E69K16-E71 IonicContact NZ-OE1 3.18Å; K16-E71 PolarHBondContact NZ-OE1 3.26Å; K16-E71 IonicContact NZ-OE2 2.7Å; K16-E71 PolarHBondContact NZ-OE2 3.47Å; Y18-E71 WeakPolarHBondContact OH-CG 3.4Å; E69-E71 VanDerWaalsContact C-N 3.29Å; E69-E71 PolarHBondContact O-N 2.9Å
72D74.6Confident82.8Confident92 Ų9251.5 Ų51.549%0.49226%0.256SS..Hα-helixtrans-74.6-28.9179-61.4-38.2000111.6L70 R183L70-D72 PolarHBondContact O-N 2.65Å; D72-R183 IonicContact OD1-NH1 3.41Å; D72-R183 PolarHBondContact OD1-NH1 3.27Å; D72-R183 IonicContact OD2-NH1 3.23Å
73Y83.1Confident82.8Confident46 Ų4651.7 Ų51.718%0.1826%0.257CS..Hα-helixtrans-86.8-23176.2-59.2-67.2000114.3F42 I62 T64 E69 L70 V75 E76 L101F42-Y73 HydrophobicContact CB-CE1 3.97Å; F42-Y73 AromaticContact CD1-CE1 3.96Å; F42-Y73 HydrophobicContact CD1-CE1 3.96Å; F42-Y73 HydrophobicContact CG-CE1 4.05Å; I62-Y73 HydrophobicContact CD1-CD1 3.8Å; I62-Y73 HydrophobicContact CD1-CE1 3.8Å; I62-Y73 HydrophobicContact CD1-CG 4.36Å; I62-Y73 HydrophobicContact CG2-CD2 4.44Å; I62-Y73 HydrophobicContact CG2-CE1 4.2Å; I62-Y73 HydrophobicContact CG2-CE2 3.81Å; T64-Y73 HydrophobicContact CG2-CE2 4.39Å; E69-Y73 VanDerWaalsContact O-CD2 3.29Å; E69-Y73 WeakPolarHBondContact O-CD2 3.49Å; L70-Y73 PolarHBondContact O-N 2.96Å; Y73-V75 PolarHBondContact O-N 3.46Å; Y73-V75 VanDerWaalsContact O-N 3.11Å; Y73-E76 PolarHBondContact O-N 3.31Å; Y73-E76 VanDerWaalsContact O-N 3.13Å; Y73-L101 HydrophobicContact CD2-CD2 4.13Å; Y73-L101 HydrophobicContact CG-CD2 3.94Å
74M83Confident83Confident17 Ų1750.3 Ų50.38%0.08426%0.255CS..Hα-helixtrans-59.4-26179.7-67.5-51.290.700112.2Y18 V21 L70 E76 I77 D78 L101Y18-M74 HydrophobicContact CD1-CG 3.84Å; Y18-M74 HydrophobicContact CD1-SD 3.97Å; Y18-M74 HydrophobicContact CD2-CG 4.33Å; Y18-M74 HydrophobicContact CD2-SD 3.71Å; Y18-M74 HydrophobicContact CE1-CG 3.81Å; Y18-M74 HydrophobicContact CE1-SD 4.39Å; Y18-M74 HydrophobicContact CE2-CG 4.31Å; Y18-M74 HydrophobicContact CE2-SD 4.17Å; Y18-M74 HydrophobicContact CG-CG 4.12Å; Y18-M74 HydrophobicContact CG-SD 3.61Å; V21-M74 HydrophobicContact CG2-CE 4.09Å; V21-M74 HydrophobicContact CG2-SD 3.76Å; L70-M74 HydrophobicContact CB-CE 4.09Å; L70-M74 HydrophobicContact CD2-CE 4.09Å; L70-M74 HydrophobicContact CG-CE 4.31Å; L70-M74 WeakPolarHBondContact O-CE 3.38Å; L70-M74 WeakPolarHBondContact O-CG 3.37Å; L70-M74 PolarHBondContact O-N 3.45Å; M74-E76 VanDerWaalsContact C-N 3.35Å; M74-E76 PolarHBondContact O-N 2.89Å; M74-I77 HydrophobicContact CE-CD1 3.68Å; M74-I77 PolarHBondContact O-N 3.43Å; M74-I77 HydrophobicContact SD-CD1 4.42Å; M74-D78 VanDerWaalsContact O-CB 3.24Å; M74-D78 WeakPolarHBondContact O-CB 3.19Å; M74-D78 PolarHBondContact O-N 3.49Å; M74-L101 HydrophobicContact CE-CD1 4.18Å; M74-L101 HydrophobicContact CE-CD2 3.98Å
75V79.9Confident83.6Confident38 Ų3851.6 Ų51.623%0.2326%0.26CS..Hα-helixtrans-61.9-40.5177.6-178.30000112.1Y73 I79Y73-V75 PolarHBondContact O-N 3.46Å; Y73-V75 VanDerWaalsContact O-N 3.11Å; V75-I79 HydrophobicContact CG1-CD1 4.01Å; V75-I79 WeakPolarHBondContact O-CB 3.37Å; V75-I79 WeakPolarHBondContact O-CG1 3.41Å; V75-I79 PolarHBondContact O-N 2.95Å
76E86.4Confident84.3Confident9 Ų950 Ų504%0.04225%0.249CC..Hα-helixtrans-65.2-50.8176.6176.1167.1-150.700110.7K60 Y73 M74 D78 I79 L80 F171K60-E76 IonicContact NZ-OE1 3.85Å; K60-E76 PolarHBondContact NZ-OE1 3.26Å; K60-E76 IonicContact NZ-OE2 2.78Å; K60-E76 PolarHBondContact NZ-OE2 3.47Å; Y73-E76 PolarHBondContact O-N 3.31Å; Y73-E76 VanDerWaalsContact O-N 3.13Å; M74-E76 VanDerWaalsContact C-N 3.35Å; M74-E76 PolarHBondContact O-N 2.89Å; E76-D78 PolarHBondContact O-N 2.99Å; E76-I79 WeakPolarHBondContact O-CB 3.38Å; E76-I79 PolarHBondContact O-N 3.41Å; E76-L80 HydrophobicContact CG-CD1 3.94Å; E76-L80 HydrophobicContact CG-CG 4.49Å; E76-L80 WeakPolarHBondContact O-CG 3.5Å; E76-L80 PolarHBondContact O-N 2.98Å; E76-F171 HydrophobicContact CG-CB 4.17Å; E76-F171 PolarHBondContact OE1-N 2.91Å
77I88.9Confident85.4Confident1 Ų148.3 Ų48.31%0.00524%0.235CC..Hα-helixtrans-60.9-48.1-179.9-56.2-179.3000110.6H20 V21 M74 I79 L80 A81 L91 A94 L101 I103H20-I77 HydrophobicContact CB-CG2 3.82Å; V21-I77 HydrophobicContact CG2-CD1 3.74Å; V21-I77 HydrophobicContact CG2-CG2 4.42Å; M74-I77 HydrophobicContact CE-CD1 3.68Å; M74-I77 PolarHBondContact O-N 3.43Å; M74-I77 HydrophobicContact SD-CD1 4.42Å; I77-I79 PolarHBondContact O-N 3.27Å; I77-L80 PolarHBondContact O-N 3.43Å; I77-A81 WeakPolarHBondContact O-CB 3.26Å; I77-A81 PolarHBondContact O-N 3.45Å; I77-L91 HydrophobicContact CG2-CD2 3.88Å; I77-A94 HydrophobicContact CD1-CB 3.95Å; I77-A94 HydrophobicContact CG2-CB 4.31Å; I77-L101 HydrophobicContact CD1-CD1 4.07Å; I77-L101 HydrophobicContact CD1-CD2 4.33Å; I77-I103 HydrophobicContact CD1-CD1 4.01Å; I77-I103 HydrophobicContact CD1-CG1 4Å; I77-I103 HydrophobicContact CG1-CD1 3.77Å; I77-I103 HydrophobicContact CG1-CG1 4.12Å; I77-I103 HydrophobicContact CG1-CG2 4.45Å
78D88.1Confident86.6Confident52 Ų5245.7 Ų45.728%0.27822%0.223SC..Hα-helixtrans-65.9-18.9176.6-102.648.7000113.5H20 M74 E76 K82 K176H20-D78 IonicContact CD2-OD1 3.5Å; M74-D78 VanDerWaalsContact O-CB 3.24Å; M74-D78 WeakPolarHBondContact O-CB 3.19Å; M74-D78 PolarHBondContact O-N 3.49Å; E76-D78 PolarHBondContact O-N 2.99Å; D78-K82 VanDerWaalsContact O-CD 3.28Å; D78-K82 WeakPolarHBondContact O-CD 3.36Å; D78-K82 WeakPolarHBondContact O-CG 3.1Å; D78-K82 IonicContact OD2-NZ 2.76Å; D78-K82 PolarHBondContact OD2-NZ 3.25Å; D78-K176 VanDerWaalsContact CB-NZ 3.35Å; D78-K176 PolarHBondContact O-NZ 3.14Å
79I87.8Confident87.6Confident0 Ų040.2 Ų40.20%020%0.197CC..Hα-helixtrans-80.1-54.7172.1-79.7170.6000108.6V75 E76 I77 A81 K82 C83 I148 F171 K176V75-I79 HydrophobicContact CG1-CD1 4.01Å; V75-I79 WeakPolarHBondContact O-CB 3.37Å; V75-I79 WeakPolarHBondContact O-CG1 3.41Å; V75-I79 PolarHBondContact O-N 2.95Å; E76-I79 WeakPolarHBondContact O-CB 3.38Å; E76-I79 PolarHBondContact O-N 3.41Å; I77-I79 PolarHBondContact O-N 3.27Å; I79-A81 PolarHBondContact O-N 3.31Å; I79-K82 CarbonylContact O-C 3.58Å; I79-K82 PolarHBondContact O-N 3.2Å; I79-C83 PolarHBondContact O-N 2.87Å; I79-C83 PolarHBondContact O-SG 2.97Å; I79-I148 HydrophobicContact CD1-CG2 4.08Å; I79-I148 HydrophobicContact CG1-CG2 4.42Å; I79-I148 HydrophobicContact CG2-CD1 4.34Å; I79-I148 HydrophobicContact CG2-CG2 4.3Å; I79-F171 HydrophobicContact CG2-CB 4.15Å; I79-F171 HydrophobicContact CG2-CD1 3.58Å; I79-F171 HydrophobicContact CG2-CE1 4.16Å; I79-F171 HydrophobicContact CG2-CG 3.96Å; I79-K176 HydrophobicContact CG1-CD 4.39Å; I79-K176 HydrophobicContact CG1-CG 4.39Å
80L90.6Very high88.4Confident6 Ų641 Ų413%0.03120%0.2CC..Hα-helixtrans-62.2-41.4-176.5-64.7174.4000112.3E76 I77 K82 C83 V89 L91 I105 F171E76-L80 HydrophobicContact CG-CD1 3.94Å; E76-L80 HydrophobicContact CG-CG 4.49Å; E76-L80 WeakPolarHBondContact O-CG 3.5Å; E76-L80 PolarHBondContact O-N 2.98Å; I77-L80 PolarHBondContact O-N 3.43Å; L80-K82 PolarHBondContact O-N 2.99Å; L80-K82 VanDerWaalsContact O-N 3.07Å; L80-C83 PolarHBondContact O-N 3.03Å; L80-V89 HydrophobicContact CD2-CG2 3.84Å; L80-L91 HydrophobicContact CB-CB 3.9Å; L80-I105 HydrophobicContact CD1-CG2 4.13Å; L80-F171 HydrophobicContact CD2-CD2 3.47Å; L80-F171 VanDerWaalsContact CD2-CD2 3.47Å; L80-F171 HydrophobicContact CD2-CE2 3.76Å; L80-F171 HydrophobicContact CD2-CG 4.19Å; L80-F171 HydrophobicContact CG-CD2 4.35Å
81A90.1Very high89.1Confident45 Ų4542.7 Ų42.737%0.37221%0.208SC..THydrogen-bonded Turntrans-62.2-14.5175.400000114.2H20 I77 I79 L91H20-A81 HydrophobicContact CB-CB 4.48Å; I77-A81 WeakPolarHBondContact O-CB 3.26Å; I77-A81 PolarHBondContact O-N 3.45Å; I79-A81 PolarHBondContact O-N 3.31Å; A81-L91 HydrophobicContact CB-CD2 3.9Å
82K88.8Confident89.8Confident95 Ų9542.7 Ų42.741%0.41321%0.21SC..THydrogen-bonded Turntrans-113.3-8.1-178.3-62.7175.1-170.7160.30112.4D78 I79 L80 M146D78-K82 VanDerWaalsContact O-CD 3.28Å; D78-K82 WeakPolarHBondContact O-CD 3.36Å; D78-K82 WeakPolarHBondContact O-CG 3.1Å; D78-K82 IonicContact OD2-NZ 2.76Å; D78-K82 PolarHBondContact OD2-NZ 3.25Å; I79-K82 CarbonylContact O-C 3.58Å; I79-K82 PolarHBondContact O-N 3.2Å; L80-K82 PolarHBondContact O-N 2.99Å; L80-K82 VanDerWaalsContact O-N 3.07Å; K82-M146 WeakPolarHBondContact O-CE 3.4Å
83C90.3Very high90.6Very high5 Ų541 Ų413%0.03420%0.201CC..  trans-102.191.1179.4-66.50000111.4I79 L80 I88 Y142I79-C83 PolarHBondContact O-N 2.87Å; I79-C83 PolarHBondContact O-SG 2.97Å; L80-C83 PolarHBondContact O-N 3.03Å; C83-I88 HydrophobicContact CB-CD1 4.41Å; C83-I88 HydrophobicContact CB-CG2 4.25Å; C83-Y142 HydrophobicContact CB-CE1 4.14Å
84D91.9Very high91.1Very high111 Ų11139.1 Ų39.159%0.59420%0.195SC*.  trans-95.5100.2164.4-169.27.7000110.5K90 Y142D84-K90 IonicContact OD1-NZ 2.68Å; D84-K90 PolarHBondContact OD1-NZ 3.2Å; D84-K90 IonicContact OD2-NZ 3.62Å; D84-Y142 PolarHBondContact N-OH 2.76Å; D84-Y142 WeakPolarHBondContact O-CE2 3.26Å; D84-Y142 PolarHBondContact O-OH 3.02Å
85H96.2Very high91.6Very high36 Ų3638.4 Ų38.417%0.16719%0.192CC..  trans-146145.9177.2-172.7-106.4000110.6Y87 I88 Y142H85-Y87 VanDerWaalsContact C-N 3.29Å; H85-Y87 AromaticContact CE1-CD2 3.76Å; H85-Y87 PolarHBondContact ND1-N 3.05Å; H85-Y87 PolarHBondContact O-N 2.95Å; H85-I88 HydrophobicContact CB-CB 4.3Å; H85-I88 HydrophobicContact CB-CD1 3.84Å; H85-I88 HydrophobicContact CB-CG1 4.03Å; H85-I88 PolarHBondContact O-N 3.49Å; H85-Y142 HydrophobicContact CB-CD1 3.9Å; H85-Y142 HydrophobicContact CB-CD2 4.18Å; H85-Y142 HydrophobicContact CB-CE1 3.91Å; H85-Y142 HydrophobicContact CB-CE2 4.16Å; H85-Y142 HydrophobicContact CB-CG 4.04Å; H85-Y142 AromaticContact CD2-CD2 3.67Å; H85-Y142 AromaticContact CD2-CG 3.78Å; H85-Y142 AromaticContact CG-CG 3.92Å
86R95.9Very high92.2Very high145 Ų14537.8 Ų37.855%0.54719%0.185SC..THydrogen-bonded Turntrans-53.2-45.3-175.7-175.5176.6175.4168.1-4.3112.6D165 K167R86-D165 IonicContact CZ-OD2 2.62Å; R86-D165 IonicContact NE-OD2 3.79Å; R86-D165 PolarHBondContact NE-OD2 2.99Å; R86-D165 IonicContact NH2-OD1 2.62Å; R86-D165 PolarHBondContact NH2-OD1 2.62Å; R86-D165 IonicContact NH2-OD2 3.75Å; R86-D165 PolarHBondContact NH2-OD2 3.16Å; R86-K167 WeakPolarHBondContact O-CD 3.37Å; R86-K167 VanDerWaalsContact O-CE 3.23Å; R86-K167 WeakPolarHBondContact O-CE 3.44Å; R86-K167 PolarHBondContact O-NZ 2.89Å
87Y97.6Very high92.4Very high21 Ų2142.1 Ų42.18%0.08220%0.202CC..THydrogen-bonded Turntrans-100.725.6-172.8-47.6-49.3000114.7H85 Q135 E138 D165 I166 L168H85-Y87 VanDerWaalsContact C-N 3.29Å; H85-Y87 AromaticContact CE1-CD2 3.76Å; H85-Y87 PolarHBondContact ND1-N 3.05Å; H85-Y87 PolarHBondContact O-N 2.95Å; Y87-Q135 HydrophobicContact CD1-CB 4.16Å; Y87-Q135 HydrophobicContact CD1-CG 4.25Å; Y87-Q135 HydrophobicContact CD2-CB 3.72Å; Y87-Q135 HydrophobicContact CD2-CG 4.17Å; Y87-Q135 WeakPolarHBondContact CD2-O 3.36Å; Y87-Q135 HydrophobicContact CE1-CB 4.22Å; Y87-Q135 HydrophobicContact CE1-CG 3.81Å; Y87-Q135 HydrophobicContact CE2-CB 3.79Å; Y87-Q135 HydrophobicContact CE2-CG 3.73Å; Y87-Q135 HydrophobicContact CG-CB 3.94Å; Y87-Q135 HydrophobicContact CG-CG 4.44Å; Y87-Q135 PolarHBondContact OH-NE2 3.23Å; Y87-E138 HydrophobicContact CD2-CB 4.14Å; Y87-E138 HydrophobicContact CE2-CB 4.1Å; Y87-E138 WeakPolarHBondContact CE2-OE2 3.32Å; Y87-D165 HydrophobicContact CD1-CB 4.25Å; Y87-D165 HydrophobicContact CE1-CB 4.16Å; Y87-I166 WeakPolarHBondContact CA-O 3.42Å; Y87-I166 HydrophobicContact CD1-CG1 4.48Å; Y87-I166 HydrophobicContact CG-CG1 4.32Å; Y87-L168 PolarHBondContact O-N 3.3Å
88I96.5Very high92.4Very high0 Ų047.4 Ų47.40%023%0.23CC..BIsolated β-bridgetrans-122.7142.7172.8-62178.8000107.5C83 H85 K90 A139 Y142 L143 F171C83-I88 HydrophobicContact CB-CD1 4.41Å; C83-I88 HydrophobicContact CB-CG2 4.25Å; H85-I88 HydrophobicContact CB-CB 4.3Å; H85-I88 HydrophobicContact CB-CD1 3.84Å; H85-I88 HydrophobicContact CB-CG1 4.03Å; H85-I88 PolarHBondContact O-N 3.49Å; I88-K90 PolarHBondContact O-N 2.92Å; I88-A139 HydrophobicContact CG1-CB 4.12Å; I88-Y142 HydrophobicContact CD1-CD1 3.81Å; I88-Y142 HydrophobicContact CD1-CE1 4.18Å; I88-L143 HydrophobicContact CD1-CD1 4.1Å; I88-L143 HydrophobicContact CD1-CD2 3.89Å; I88-L143 HydrophobicContact CD1-CG 3.8Å; I88-F171 HydrophobicContact CG2-CE2 3.87Å; I88-F171 HydrophobicContact CG2-CZ 3.72Å
89V94.8Very high92.4Very high1 Ų149.2 Ų49.21%0.00624%0.24CC..PPolyproline II helixtrans-62.2127.4175.2-65.90000111.1L80 I105 E106 L159 K167 L168 A169L80-V89 HydrophobicContact CD2-CG2 3.84Å; V89-I105 HydrophobicContact CB-CD1 4.46Å; V89-I105 HydrophobicContact CG2-CD1 4.26Å; V89-E106 WeakPolarHBondContact CA-OE1 3.36Å; V89-L159 HydrophobicContact CG1-CD1 4.06Å; V89-K167 HydrophobicContact CG1-CB 3.74Å; V89-L168 WeakPolarHBondContact CG2-O 3.29Å; V89-L168 PolarHBondContact N-O 2.76Å; V89-A169 HydrophobicContact CG1-CB 3.83Å; V89-A169 HydrophobicContact CG2-CB 4.18Å
90K93.6Very high92.6Very high75 Ų7552.1 Ų52.133%0.32625%0.252SS..PPolyproline II helixtrans-76.7131.3172.8-72.7171.7170.8-76.20110.3D84 I88 I105 E106D84-K90 IonicContact OD1-NZ 2.68Å; D84-K90 PolarHBondContact OD1-NZ 3.2Å; D84-K90 IonicContact OD2-NZ 3.62Å; I88-K90 PolarHBondContact O-N 2.92Å; K90-I105 CarbonylContact O-C 3.59Å; K90-I105 VanDerWaalsContact O-CA 3.28Å; K90-I105 WeakPolarHBondContact O-CA 3.26Å; K90-E106 HydrophobicContact CB-CB 4.48Å; K90-E106 HydrophobicContact CB-CG 4.48Å; K90-E106 PolarHBondContact N-OE1 3.38Å; K90-E106 PolarHBondContact O-N 3.21Å
91L94.3Very high92.6Very high35 Ų3551.8 Ų51.818%0.18325%0.251CS..EExtended strand (participates in β ladder)trans-67.2134158.2-173.170.4000108.6I77 L80 A81 D93 I103 I105I77-L91 HydrophobicContact CG2-CD2 3.88Å; L80-L91 HydrophobicContact CB-CB 3.9Å; A81-L91 HydrophobicContact CB-CD2 3.9Å; L91-D93 WeakPolarHBondContact CD1-O 3.39Å; L91-I103 HydrophobicContact CD1-CG2 3.56Å; L91-I105 HydrophobicContact CD1-CG2 4.43Å
92L93.1Very high92.8Very high67 Ų6750.7 Ų50.735%0.35124%0.237SC..EExtended strand (participates in β ladder)trans-102.4-50.6173.9-58.1178.1000110.1W31 V55 A57 M104W31-L92 HydrophobicContact CH2-CD1 4.01Å; V55-L92 HydrophobicContact CG1-CD1 4.31Å; A57-L92 HydrophobicContact CB-CD1 3.82Å; L92-M104 HydrophobicContact CB-CB 4.38Å; L92-M104 PolarHBondContact N-O 3.19Å
93D92.6Very high93Very high56 Ų5646.2 Ų46.230%0.29922%0.218SC..EExtended strand (participates in β ladder)trans-150.3163178.8-78.2-54000110W31 L91 F95 M104W31-D93 PolarHBondContact NE1-OD2 3.49Å; L91-D93 WeakPolarHBondContact CD1-O 3.39Å; D93-F95 HydrophobicContact CB-CD2 4.19Å; D93-F95 HydrophobicContact CB-CE2 3.39Å; D93-F95 HydrophobicContact CB-CZ 3.74Å; D93-M104 HydrophobicContact CB-CB 4.01Å; D93-M104 HydrophobicContact CB-CG 3.86Å; D93-M104 PolarHBondContact N-O 3.49Å; D93-M104 WeakPolarHBondContact O-CB 3.24Å; D93-M104 PolarHBondContact O-N 3.35Å
94A93.9Very high93.2Very high6 Ų646 Ų465%0.0522%0.216CC..EExtended strand (participates in β ladder)trans-140.7141.5155.200000111.9V21 S22 I77 W102V21-A94 HydrophobicContact CG2-CB 4.31Å; S22-A94 PolarHBondContact N-O 3.23Å; I77-A94 HydrophobicContact CD1-CB 3.95Å; I77-A94 HydrophobicContact CG2-CB 4.31Å; A94-W102 CarbonylContact C-O 3.53Å; A94-W102 WeakPolarHBondContact CA-O 3.34Å
95F93.4Very high93.3Very high3 Ų342 Ų421%0.01319%0.194CC..EExtended strand (participates in β ladder)trans-128.2147.4-177.6-53-90.8000111S22 V25 P27 I30 W31 D93 W102 M104S22-F95 CarbonylContact O-C 3.51Å; S22-F95 VanDerWaalsContact O-CA 3.26Å; S22-F95 WeakPolarHBondContact O-CA 3.5Å; V25-F95 HydrophobicContact CB-CD1 4.21Å; V25-F95 HydrophobicContact CB-CE1 4.35Å; V25-F95 HydrophobicContact CG1-CD1 4.15Å; V25-F95 HydrophobicContact CG1-CE1 3.9Å; P27-F95 HydrophobicContact CB-CB 4.11Å; P27-F95 HydrophobicContact CB-CD2 3.78Å; P27-F95 HydrophobicContact CB-CE2 4.33Å; P27-F95 HydrophobicContact CB-CG 3.9Å; P27-F95 HydrophobicContact CG-CB 4.29Å; I30-F95 HydrophobicContact CD1-CE1 3.98Å; I30-F95 HydrophobicContact CD1-CZ 4.01Å; W31-F95 AromaticContact CD1-CE2 3.82Å; W31-F95 AromaticContact NE1-CE2 3.78Å; D93-F95 HydrophobicContact CB-CD2 4.19Å; D93-F95 HydrophobicContact CB-CE2 3.39Å; D93-F95 HydrophobicContact CB-CZ 3.74Å; F95-W102 HydrophobicContact CB-CB 4.26Å; F95-W102 HydrophobicContact CD2-CB 4.49Å; F95-W102 PolarHBondContact N-O 3.49Å; F95-W102 PolarHBondContact O-N 3.3Å; F95-M104 HydrophobicContact CD2-CG 4.16Å; F95-M104 HydrophobicContact CE2-CG 3.97Å
96Y92Very high93.2Very high25 Ų2542.3 Ų42.310%0.09820%0.196CC..EExtended strand (participates in β ladder)trans-126104.1168.4177.9-109000110S22 R23 T64 L70 K100 L101S22-Y96 PolarHBondContact O-N 3.11Å; R23-Y96 WeakPolarHBondContact CA-O 3.03Å; R23-Y96 HydrophobicContact CG-CD1 4.34Å; T64-Y96 WeakPolarHBondContact OG1-CE2 3.44Å; L70-Y96 HydrophobicContact CD1-CD2 3.96Å; L70-Y96 HydrophobicContact CD1-CE1 4.49Å; L70-Y96 HydrophobicContact CD1-CE2 3.55Å; L70-Y96 HydrophobicContact CD2-CD1 4.33Å; L70-Y96 HydrophobicContact CD2-CD2 3.79Å; L70-Y96 HydrophobicContact CD2-CE2 4.23Å; L70-Y96 HydrophobicContact CD2-CG 3.83Å; L70-Y96 HydrophobicContact CG-CD2 4.32Å; L70-Y96 HydrophobicContact CG-CE2 4.39Å; Y96-K100 WeakPolarHBondContact CA-O 3.45Å; Y96-K100 WeakPolarHBondContact CD2-O 3.37Å; Y96-L101 HydrophobicContact CD2-CB 4.35Å
97Y90.3Very high93.1Very high100 Ų10037.9 Ų37.939%0.39218%0.181SC..EExtended strand (participates in β ladder)trans-142.1139.8-172.3-174.7-93.2000110.2N26 N99 K100N26-Y97 HydrophobicContact CB-CD1 4.39Å; N26-Y97 HydrophobicContact CB-CD2 4.25Å; N26-Y97 HydrophobicContact CB-CE1 4.05Å; N26-Y97 HydrophobicContact CB-CE2 3.89Å; N26-Y97 HydrophobicContact CB-CG 4.49Å; Y97-N99 VanDerWaalsContact C-N 3.29Å; Y97-N99 PolarHBondContact O-N 3.03Å; Y97-K100 PolarHBondContact N-O 3.43Å; Y97-K100 PolarHBondContact O-N 2.95Å
98D89.2Confident93Very high111 Ų11137.4 Ų37.459%0.59418%0.181SC*.THydrogen-bonded Turntrans49.543.6-178.7-167.535.6000114.4K100D98-K100 WeakPolarHBondContact O-CG 3.37Å; D98-K100 PolarHBondContact O-N 2.86Å; D98-K100 VanDerWaalsContact O-N 3.16Å
99N88.2Confident92.6Very high90 Ų9039 Ų3948%0.48119%0.194SC..THydrogen-bonded Turntrans60.815.2-174.7-48.5-70.7000115.4T64 Y97T64-N99 PolarHBondContact N-O 3.24Å; T64-N99 PolarHBondContact OG1-O 3.47Å; Y97-N99 VanDerWaalsContact C-N 3.29Å; Y97-N99 PolarHBondContact O-N 3.03Å
100K91Very high92.3Very high61 Ų6139.2 Ų39.227%0.26520%0.196SC..EExtended strand (participates in β ladder)trans-111.3129.8176.3-46.8-165.3-171.3-160.70110.5V61 I62 E63 Y96 Y97 D98V61-K100 HydrophobicContact CG1-CB 4.23Å; V61-K100 HydrophobicContact CG1-CD 4.34Å; I62-K100 CarbonylContact O-C 3.55Å; I62-K100 VanDerWaalsContact O-CA 3.3Å; I62-K100 WeakPolarHBondContact O-CA 2.91Å; E63-K100 HydrophobicContact CG-CD 3.93Å; E63-K100 HydrophobicContact CG-CG 4.12Å; E63-K100 WeakPolarHBondContact OE1-CE 3.41Å; E63-K100 IonicContact OE1-NZ 2.69Å; E63-K100 PolarHBondContact OE1-NZ 3.42Å; Y96-K100 WeakPolarHBondContact CA-O 3.45Å; Y96-K100 WeakPolarHBondContact CD2-O 3.37Å; Y97-K100 PolarHBondContact N-O 3.43Å; Y97-K100 PolarHBondContact O-N 2.95Å; D98-K100 WeakPolarHBondContact O-CG 3.37Å; D98-K100 PolarHBondContact O-N 2.86Å; D98-K100 VanDerWaalsContact O-N 3.16Å
101L91.6Very high92.3Very high0 Ų037.1 Ų37.10%020%0.195CC..EExtended strand (participates in β ladder)trans-89.6124.9169.1-179.866.4000108.5V21 V61 I62 L70 Y73 M74 I77 Y96 I103V21-L101 HydrophobicContact CG1-CD1 4.1Å; V61-L101 WeakPolarHBondContact CA-O 3.27Å; I62-L101 HydrophobicContact CB-CB 4.37Å; I62-L101 PolarHBondContact N-O 2.83Å; I62-L101 PolarHBondContact O-N 3.44Å; L70-L101 HydrophobicContact CD2-CD1 4.38Å; Y73-L101 HydrophobicContact CD2-CD2 4.13Å; Y73-L101 HydrophobicContact CG-CD2 3.94Å; M74-L101 HydrophobicContact CE-CD1 4.18Å; M74-L101 HydrophobicContact CE-CD2 3.98Å; I77-L101 HydrophobicContact CD1-CD1 4.07Å; I77-L101 HydrophobicContact CD1-CD2 4.33Å; Y96-L101 HydrophobicContact CD2-CB 4.35Å; L101-I103 HydrophobicContact CD2-CD1 4.3Å; L101-I103 HydrophobicContact CD2-CG1 4.43Å; L101-I103 HydrophobicContact CG-CG1 4.2Å
102W93.3Very high92.1Very high22 Ų2236.2 Ų36.28%0.08319%0.193CC..EExtended strand (participates in β ladder)trans-112.8118.5177.7-64.659.3000107.9P27 N28 I33 A59 V61 A94 F95 M104P27-W102 HydrophobicContact CB-CD2 3.86Å; P27-W102 HydrophobicContact CB-CE3 3.81Å; P27-W102 HydrophobicContact CB-CG 4.23Å; P27-W102 HydrophobicContact CB-CZ3 4.23Å; P27-W102 HydrophobicContact CG-CD2 3.46Å; P27-W102 VanDerWaalsContact CG-CD2 3.46Å; P27-W102 VanDerWaalsContact CG-CE2 3.45Å; P27-W102 HydrophobicContact CG-CE3 3.87Å; P27-W102 HydrophobicContact CG-CG 3.81Å; P27-W102 HydrophobicContact CG-CH2 4.25Å; P27-W102 HydrophobicContact CG-CZ2 3.89Å; P27-W102 HydrophobicContact CG-CZ3 4.23Å; N28-W102 WeakPolarHBondContact OD1-CH2 3.32Å; I33-W102 HydrophobicContact CD1-CZ3 3.98Å; I33-W102 HydrophobicContact CG1-CZ3 4.39Å; A59-W102 HydrophobicContact CB-CE3 4.48Å; V61-W102 HydrophobicContact CG1-CD2 4.26Å; V61-W102 HydrophobicContact CG1-CG 4.43Å; V61-W102 HydrophobicContact CG1-CZ2 4.38Å; V61-W102 HydrophobicContact CG2-CD2 3.64Å; V61-W102 HydrophobicContact CG2-CE3 3.67Å; V61-W102 HydrophobicContact CG2-CG 4.1Å; V61-W102 HydrophobicContact CG2-CH2 4.45Å; V61-W102 HydrophobicContact CG2-CZ2 4.42Å; V61-W102 HydrophobicContact CG2-CZ3 4.11Å; A94-W102 CarbonylContact C-O 3.53Å; A94-W102 WeakPolarHBondContact CA-O 3.34Å; F95-W102 HydrophobicContact CB-CB 4.26Å; F95-W102 HydrophobicContact CD2-CB 4.49Å; F95-W102 PolarHBondContact N-O 3.49Å; F95-W102 PolarHBondContact O-N 3.3Å; W102-M104 HydrophobicContact CB-SD 4.36Å; W102-M104 HydrophobicContact CE3-SD 4.3Å
103I93.1Very high92.2Very high1 Ų133 Ų331%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-110.3115.1174.5-49.4178.1000107.4K60 I77 L91 L101 I105K60-I103 HydrophobicContact CB-CB 4.28Å; K60-I103 PolarHBondContact N-O 2.97Å; K60-I103 PolarHBondContact O-N 3.49Å; I77-I103 HydrophobicContact CD1-CD1 4.01Å; I77-I103 HydrophobicContact CD1-CG1 4Å; I77-I103 HydrophobicContact CG1-CD1 3.77Å; I77-I103 HydrophobicContact CG1-CG1 4.12Å; I77-I103 HydrophobicContact CG1-CG2 4.45Å; L91-I103 HydrophobicContact CD1-CG2 3.56Å; L101-I103 HydrophobicContact CD2-CD1 4.3Å; L101-I103 HydrophobicContact CD2-CG1 4.43Å; L101-I103 HydrophobicContact CG-CG1 4.2Å; I103-I105 HydrophobicContact CG2-CG2 4.17Å
104M94.3Very high92.2Very high0 Ų033.8 Ų33.80%018%0.181CC..EExtended strand (participates in β ladder)trans-99.3113.3-175.9-47.4-59.7-70.200108.9W31 A48 A57 A59 L92 D93 F95 W102W31-M104 HydrophobicContact CB-CE 4.07Å; W31-M104 HydrophobicContact CD2-CE 3.48Å; W31-M104 VanDerWaalsContact CD2-CE 3.48Å; W31-M104 HydrophobicContact CE3-CE 3.77Å; W31-M104 HydrophobicContact CG-CE 3.61Å; W31-M104 HydrophobicContact CZ3-CE 4.4Å; A48-M104 HydrophobicContact CB-CE 3.74Å; A57-M104 HydrophobicContact CB-CE 4.15Å; A59-M104 HydrophobicContact CB-CE 3.66Å; A59-M104 HydrophobicContact CB-SD 3.51Å; A59-M104 VanDerWaalsContact CB-SD 3.51Å; L92-M104 HydrophobicContact CB-CB 4.38Å; L92-M104 PolarHBondContact N-O 3.19Å; D93-M104 HydrophobicContact CB-CB 4.01Å; D93-M104 HydrophobicContact CB-CG 3.86Å; D93-M104 PolarHBondContact N-O 3.49Å; D93-M104 WeakPolarHBondContact O-CB 3.24Å; D93-M104 PolarHBondContact O-N 3.35Å; F95-M104 HydrophobicContact CD2-CG 4.16Å; F95-M104 HydrophobicContact CE2-CG 3.97Å; W102-M104 HydrophobicContact CB-SD 4.36Å; W102-M104 HydrophobicContact CE3-SD 4.3Å
105I93.9Very high91.8Very high27 Ų2735.9 Ų35.914%0.13820%0.198CC..EExtended strand (participates in β ladder)trans-119160.8179.565.5175.7000111.4A57 A58 L80 V89 K90 L91 I103 F107A57-I105 CarbonylContact C-O 3.54Å; A57-I105 VanDerWaalsContact CA-O 3.25Å; A57-I105 WeakPolarHBondContact CA-O 3.34Å; A57-I105 WeakPolarHBondContact CB-O 3.47Å; A58-I105 HydrophobicContact CB-CG1 3.94Å; A58-I105 PolarHBondContact N-O 2.93Å; A58-I105 PolarHBondContact O-N 2.82Å; L80-I105 HydrophobicContact CD1-CG2 4.13Å; V89-I105 HydrophobicContact CB-CD1 4.46Å; V89-I105 HydrophobicContact CG2-CD1 4.26Å; K90-I105 CarbonylContact O-C 3.59Å; K90-I105 VanDerWaalsContact O-CA 3.28Å; K90-I105 WeakPolarHBondContact O-CA 3.26Å; L91-I105 HydrophobicContact CD1-CG2 4.43Å; I103-I105 HydrophobicContact CG2-CG2 4.17Å; I105-F107 PolarHBondContact O-N 2.89Å
106E94.3Very high91.5Very high42 Ų4236.1 Ų36.120%0.19620%0.199CC..EExtended strand (participates in β ladder)trans-59.4132.9-177.775.1-171.9124.600113.3V89 K90 C108 K167V89-E106 WeakPolarHBondContact CA-OE1 3.36Å; K90-E106 HydrophobicContact CB-CB 4.48Å; K90-E106 HydrophobicContact CB-CG 4.48Å; K90-E106 PolarHBondContact N-OE1 3.38Å; K90-E106 PolarHBondContact O-N 3.21Å; E106-C108 PolarHBondContact O-N 3.38Å; E106-C108 VanDerWaalsContact O-N 3.11Å; E106-K167 VanDerWaalsContact CD-CE 3.47Å; E106-K167 VanDerWaalsContact OE1-CE 3.29Å; E106-K167 WeakPolarHBondContact OE1-CE 3.28Å; E106-K167 IonicContact OE1-NZ 3.51Å; E106-K167 PolarHBondContact OE1-NZ 2.62Å; E106-K167 VanDerWaalsContact OE2-CE 3.27Å; E106-K167 WeakPolarHBondContact OE2-CE 3.47Å; E106-K167 IonicContact OE2-NZ 2.7Å; E106-K167 PolarHBondContact OE2-NZ 3.28Å
107F94.6Very high91.4Very high52 Ų5235 Ų3523%0.22820%0.195CC..  trans-75.3102.7-178.3178-110.6000112.1L37 K47 L56 I105 A109L37-F107 HydrophobicContact CD1-CD2 4.05Å; L37-F107 HydrophobicContact CD1-CE2 3.87Å; L37-F107 HydrophobicContact CD2-CE2 3.91Å; K47-F107 HydrophobicContact CD-CE1 4.47Å; K47-F107 HydrophobicContact CD-CE2 4.16Å; K47-F107 HydrophobicContact CD-CZ 4.06Å; K47-F107 HydrophobicContact CG-CD2 4.24Å; K47-F107 HydrophobicContact CG-CE2 4.15Å; L56-F107 HydrophobicContact CB-CB 3.72Å; L56-F107 HydrophobicContact CB-CD1 3.93Å; L56-F107 HydrophobicContact CB-CG 4.07Å; L56-F107 HydrophobicContact CD1-CD1 3.89Å; L56-F107 HydrophobicContact CD1-CE1 4.29Å; L56-F107 VanDerWaalsContact O-CB 3.31Å; L56-F107 WeakPolarHBondContact O-CB 3.28Å; L56-F107 PolarHBondContact O-N 3.05Å; I105-F107 PolarHBondContact O-N 2.89Å; F107-A109 HydrophobicContact CD1-CB 4.02Å; F107-A109 HydrophobicContact CE1-CB 3.62Å; F107-A109 HydrophobicContact CZ-CB 4.43Å; F107-A109 PolarHBondContact O-N 3.14Å
108C94.5Very high91.1Very high12 Ų1235 Ų358%0.08120%0.201CC..  trans-77.188177.5-610000111E106 G110 G111 L159 L160E106-C108 PolarHBondContact O-N 3.38Å; E106-C108 VanDerWaalsContact O-N 3.11Å; C108-G110 PolarHBondContact O-N 2.95Å; C108-G111 PolarHBondContact O-N 3.41Å; C108-L159 HydrophobicContact CB-CB 3.53Å; C108-L159 HydrophobicContact CB-CD1 3.88Å; C108-L159 HydrophobicContact CB-CG 4.33Å; C108-L160 CarbonylContact C-O 3.42Å
109A89.4Confident90.7Very high34 Ų3435.5 Ų35.528%0.28120%0.2SC..THydrogen-bonded Turntrans-63.9-14.2-169.500000115.5F107 G111 L162 K306F107-A109 HydrophobicContact CD1-CB 4.02Å; F107-A109 HydrophobicContact CE1-CB 3.62Å; F107-A109 HydrophobicContact CZ-CB 4.43Å; F107-A109 PolarHBondContact O-N 3.14Å; A109-G111 VanDerWaalsContact C-N 3.33Å; A109-L162 HydrophobicContact CB-CD1 4.19Å; A109-L162 HydrophobicContact CB-CG 4.16Å; A109-K306 WeakPolarHBondContact O-CE 3.49Å; A109-K306 PolarHBondContact O-NZ 2.89Å
110G88.9Confident90.5Very high5 Ų531.9 Ų31.95%0.05218%0.18CC..THydrogen-bonded Turntrans-78.8-10.5172.100000114.3C108 N116 L160C108-G110 PolarHBondContact O-N 2.95Å; G110-N116 PolarHBondContact O-ND2 3.3Å; G110-L160 WeakPolarHBondContact CA-O 3.31Å; G110-L160 PolarHBondContact N-O 3.5Å
111G91.6Very high90.1Very high30 Ų3031.9 Ų31.931%0.30918%0.183SC..EExtended strand (participates in β ladder)trans75.5-176.6-177.800000113.4C108 A109 L159 L160C108-G111 PolarHBondContact O-N 3.41Å; A109-G111 VanDerWaalsContact C-N 3.33Å; G111-L159 CarbonylContact O-C 3.59Å; G111-L159 WeakPolarHBondContact O-CA 3.45Å; G111-L160 PolarHBondContact O-N 2.97Å
112A92.2Very high90Very high17 Ų1734.6 Ų34.614%0.1419%0.193CC..EExtended strand (participates in β ladder)trans-78.3152.5175.900000111.9D114 A115 N116 V158 L159A112-D114 VanDerWaalsContact C-N 3.34Å; A112-D114 WeakPolarHBondContact CB-OD1 3.26Å; A112-D114 PolarHBondContact O-N 2.8Å; A112-A115 PolarHBondContact O-N 3.19Å; A112-N116 PolarHBondContact O-N 3Å; A112-N116 VanDerWaalsContact O-N 3.12Å; A112-N116 PolarHBondContact O-ND2 3.4Å; A112-V158 CarbonylContact C-O 3.52Å; A112-V158 WeakPolarHBondContact CA-O 3.43Å; A112-L159 HydrophobicContact CB-CD2 3.7Å
113V94.3Very high89.8Confident0 Ų034.4 Ų34.40%020%0.198CC..Hα-helixtrans-69.6-31.7-174.9-176.80000112N116 M117 L124 A155 V158 L160 L225V113-N116 PolarHBondContact O-N 3.02Å; V113-M117 WeakPolarHBondContact O-CG 3.41Å; V113-M117 PolarHBondContact O-N 2.98Å; V113-L124 HydrophobicContact CG1-CD1 3.81Å; V113-L124 HydrophobicContact CG1-CD2 3.9Å; V113-A155 HydrophobicContact CB-CB 4.48Å; V113-A155 PolarHBondContact N-O 2.86Å; V113-V158 HydrophobicContact CG2-CB 3.97Å; V113-V158 HydrophobicContact CG2-CG1 3.76Å; V113-V158 WeakPolarHBondContact CG2-O 3.41Å; V113-V158 PolarHBondContact N-O 2.74Å; V113-L160 HydrophobicContact CG2-CD1 4.05Å; V113-L160 HydrophobicContact CG2-CD2 3.92Å; V113-L160 HydrophobicContact CG2-CG 3.82Å; V113-L225 HydrophobicContact CB-CD2 4.14Å; V113-L225 HydrophobicContact CG1-CD2 3.32Å
114D91.8Very high89.9Confident72 Ų7234.6 Ų34.639%0.38520%0.199SC..Hα-helixtrans-62-43.317265.3-22.8000112.5A112 N116 M117 L118 A155 G156A112-D114 VanDerWaalsContact C-N 3.34Å; A112-D114 WeakPolarHBondContact CB-OD1 3.26Å; A112-D114 PolarHBondContact O-N 2.8Å; D114-N116 VanDerWaalsContact C-N 3.3Å; D114-N116 PolarHBondContact O-N 3.22Å; D114-M117 PolarHBondContact O-N 3.26Å; D114-L118 PolarHBondContact O-N 3.22Å; D114-A155 HydrophobicContact CB-CB 4.16Å; D114-G156 VanDerWaalsContact CG-CA 3.42Å; D114-G156 WeakPolarHBondContact OD1-CA 3.5Å; D114-G156 WeakPolarHBondContact OD2-CA 3.49Å
115A86.5Confident90Very high49 Ų4937.5 Ų37.541%0.40522%0.217SC..Hα-helixtrans-62.9-36.9174.400000111.8A112 L118 E119A112-A115 PolarHBondContact O-N 3.19Å; A115-L118 PolarHBondContact O-N 2.89Å; A115-E119 WeakPolarHBondContact O-CB 3.29Å; A115-E119 PolarHBondContact O-N 3.42Å
116N87.7Confident90.1Very high8 Ų837.8 Ų37.84%0.04322%0.218CC..Hα-helixtrans-66.7-41.8172.9-78.4-101.2000111.7G110 A112 V113 D114 L118 E119 L120 A305G110-N116 PolarHBondContact O-ND2 3.3Å; A112-N116 PolarHBondContact O-N 3Å; A112-N116 VanDerWaalsContact O-N 3.12Å; A112-N116 PolarHBondContact O-ND2 3.4Å; V113-N116 PolarHBondContact O-N 3.02Å; D114-N116 VanDerWaalsContact C-N 3.3Å; D114-N116 PolarHBondContact O-N 3.22Å; N116-L118 VanDerWaalsContact C-N 3.3Å; N116-L118 PolarHBondContact O-N 2.84Å; N116-E119 PolarHBondContact O-N 3.28Å; N116-L120 WeakPolarHBondContact O-CB 3.27Å; N116-L120 VanDerWaalsContact O-CG 3.24Å; N116-L120 WeakPolarHBondContact O-CG 3.28Å; N116-L120 PolarHBondContact O-N 3.18Å; N116-A305 WeakPolarHBondContact OD1-CB 3.38Å
117M89.3Confident90.2Very high3 Ų339.2 Ų39.22%0.01523%0.231CC..Hα-helixtrans-62.3-38.1174.5-70.7-168.2-64.400112.3V113 D114 D121 R122 L124 A155 E224 L225V113-M117 WeakPolarHBondContact O-CG 3.41Å; V113-M117 PolarHBondContact O-N 2.98Å; D114-M117 PolarHBondContact O-N 3.26Å; M117-D121 PolarHBondContact O-N 3.46Å; M117-R122 WeakPolarHBondContact CA-O 3.49Å; M117-R122 WeakPolarHBondContact CB-O 3.4Å; M117-R122 PolarHBondContact O-N 2.97Å; M117-R122 VanDerWaalsContact O-N 3.14Å; M117-L124 HydrophobicContact CG-CD1 3.42Å; M117-L124 VanDerWaalsContact CG-CD1 3.42Å; M117-L124 HydrophobicContact SD-CD1 3.91Å; M117-A155 HydrophobicContact CE-CB 4.03Å; M117-E224 HydrophobicContact CE-CG 4.45Å; M117-L225 HydrophobicContact CE-CD2 4.05Å; M117-L225 HydrophobicContact SD-CD2 4.2Å
118L83.4Confident90.4Very high99 Ų9937.2 Ų37.252%0.51822%0.222SC..Hα-helixtrans-67.7-45177.2-175.169.3000112.4D114 A115 N116 L120 D121 R622D114-L118 PolarHBondContact O-N 3.22Å; A115-L118 PolarHBondContact O-N 2.89Å; N116-L118 VanDerWaalsContact C-N 3.3Å; N116-L118 PolarHBondContact O-N 2.84Å; L118-L120 VanDerWaalsContact C-N 3.29Å; L118-L120 PolarHBondContact O-N 2.79Å; L118-D121 PolarHBondContact O-N 3.36Å; L118-R622 VanDerWaalsContact CD2-NH2 3.28Å
119E81.4Confident90.5Very high122 Ų12236.7 Ų36.757%0.5722%0.219SC*.Hα-helixtrans-70.2-25.4-179.9-168.657.2-13900112.9A115 N116 R583A115-E119 WeakPolarHBondContact O-CB 3.29Å; A115-E119 PolarHBondContact O-N 3.42Å; N116-E119 PolarHBondContact O-N 3.28Å; E119-R583 PolarHBondContact O-NH2 3.1Å
120L82.9Confident90.9Very high13 Ų1337.1 Ų37.17%0.06821%0.213CC..Hα-helixtrans-91.6-9.5174.7-62.6179.2000113.6N116 L118 R122 L301 E304 A305N116-L120 WeakPolarHBondContact O-CB 3.27Å; N116-L120 VanDerWaalsContact O-CG 3.24Å; N116-L120 WeakPolarHBondContact O-CG 3.28Å; N116-L120 PolarHBondContact O-N 3.18Å; L118-L120 VanDerWaalsContact C-N 3.29Å; L118-L120 PolarHBondContact O-N 2.79Å; L120-R122 HydrophobicContact CB-CG 3.75Å; L120-R122 PolarHBondContact O-N 3.18Å; L120-L301 HydrophobicContact CD1-CD1 3.44Å; L120-L301 VanDerWaalsContact CD1-CD1 3.44Å; L120-L301 HydrophobicContact CD1-CG 4.41Å; L120-E304 HydrophobicContact CD2-CB 4.31Å; L120-E304 HydrophobicContact CD2-CG 3.73Å; L120-A305 HydrophobicContact CD1-CB 4.35Å; L120-A305 HydrophobicContact CD2-CB 4.17Å; L120-A305 HydrophobicContact CG-CB 4.2Å
121D83.1Confident91.3Very high61 Ų6137.1 Ų37.133%0.32621%0.212SC..THydrogen-bonded Turntrans56.429.2-175.3-164.953.4000113.1M117 L118 R615M117-D121 PolarHBondContact O-N 3.46Å; L118-D121 PolarHBondContact O-N 3.36Å; D121-R615 IonicContact OD1-CZ 3.89Å; D121-R615 IonicContact OD1-NE 3.56Å; D121-R615 IonicContact OD1-NH1 2.67Å; D121-R615 PolarHBondContact OD1-NH1 2.98Å; D121-R615 IonicContact OD2-CZ 3.77Å; D121-R615 IonicContact OD2-NH1 3.23Å; D121-R615 PolarHBondContact OD2-NH1 3.2Å; D121-R615 IonicContact OD2-NH2 2.81Å
122R89.1Confident91.7Very high57 Ų5735.7 Ų35.722%0.21520%0.197CC..SBendtrans-155.5151.9-175.465.7177.7-170.272.2-6.5112.9M117 L120 E304M117-R122 WeakPolarHBondContact CA-O 3.49Å; M117-R122 WeakPolarHBondContact CB-O 3.4Å; M117-R122 PolarHBondContact O-N 2.97Å; M117-R122 VanDerWaalsContact O-N 3.14Å; L120-R122 HydrophobicContact CB-CG 3.75Å; L120-R122 PolarHBondContact O-N 3.18Å; R122-E304 IonicContact CZ-OE1 3.85Å; R122-E304 IonicContact CZ-OE2 3.54Å; R122-E304 IonicContact NE-OE1 2.65Å; R122-E304 PolarHBondContact NE-OE1 2.58Å; R122-E304 IonicContact NH2-OE1 3.83Å; R122-E304 PolarHBondContact NH2-OE1 3.13Å; R122-E304 IonicContact NH2-OE2 3.89Å; R122-E304 PolarHBondContact NH2-OE2 2.9Å
123G89.8Confident92Very high18 Ų1834.9 Ų34.919%0.18619%0.19CC..PPolyproline II helixtrans-67.4170164.400000112.9
124L95.7Very high92.1Very high5 Ų537.2 Ų37.23%0.02620%0.199CC..PPolyproline II helixtrans-71.8152.7176.9-87.760.1000111.6V113 M117 Q128 I129 V132 L225 L301V113-L124 HydrophobicContact CG1-CD1 3.81Å; V113-L124 HydrophobicContact CG1-CD2 3.9Å; M117-L124 HydrophobicContact CG-CD1 3.42Å; M117-L124 VanDerWaalsContact CG-CD1 3.42Å; M117-L124 HydrophobicContact SD-CD1 3.91Å; L124-Q128 HydrophobicContact CB-CB 3.99Å; L124-Q128 HydrophobicContact CD2-CB 3.97Å; L124-Q128 HydrophobicContact CG-CB 3.95Å; L124-I129 HydrophobicContact CB-CD1 4.3Å; L124-I129 HydrophobicContact CB-CG1 3.64Å; L124-V132 HydrophobicContact CD2-CG2 4.17Å; L124-L225 HydrophobicContact CD1-CD2 4.5Å; L124-L225 HydrophobicContact CD2-CD1 4.42Å; L124-L225 HydrophobicContact CD2-CD2 4.27Å; L124-L225 PolarHBondContact N-O 2.65Å; L124-L301 HydrophobicContact CD1-CD2 4.18Å; L124-L301 HydrophobicContact CD2-CD2 4.11Å; L124-L301 HydrophobicContact CG-CD2 3.99Å
125T95.9Very high92.4Very high62 Ų6234.2 Ų34.238%0.3818%0.183SC..PPolyproline II helixtrans-77.3156.6170.1630000110.7P127 Q128 I129T125-P127 VanDerWaalsContact C-N 3.35Å; T125-Q128 WeakPolarHBondContact O-CA 3.33Å; T125-Q128 WeakPolarHBondContact O-CB 3.36Å; T125-Q128 PolarHBondContact O-N 2.91Å; T125-Q128 WeakPolarHBondContact OG1-CG 3.25Å; T125-Q128 PolarHBondContact OG1-OE1 3.05Å; T125-I129 WeakPolarHBondContact O-CG1 3.47Å; T125-I129 PolarHBondContact O-N 3.02Å
126E96.3Very high93Very high32 Ų3231.9 Ų31.915%0.1516%0.164CC..Hα-helixtrans-55.4-40.9-179.3-160.9-178.4125.600113.4Q128 I129 R130 W258 S259 F262 F288E126-Q128 VanDerWaalsContact C-N 3.31Å; E126-Q128 PolarHBondContact O-N 3.23Å; E126-I129 PolarHBondContact O-N 2.87Å; E126-R130 HydrophobicContact CG-CG 4.44Å; E126-R130 WeakPolarHBondContact O-CB 3.36Å; E126-R130 VanDerWaalsContact O-CG 3.24Å; E126-R130 WeakPolarHBondContact O-CG 3.44Å; E126-R130 PolarHBondContact O-N 2.69Å; E126-W258 HydrophobicContact CB-CE3 4.08Å; E126-W258 HydrophobicContact CB-CZ3 4.06Å; E126-W258 HydrophobicContact CG-CE3 4.32Å; E126-S259 VanDerWaalsContact CD-OG 3.29Å; E126-S259 WeakPolarHBondContact OE1-CB 3.15Å; E126-S259 PolarHBondContact OE1-OG 2.83Å; E126-S259 WeakPolarHBondContact OE2-CB 3.37Å; E126-S259 PolarHBondContact OE2-N 2.86Å; E126-S259 PolarHBondContact OE2-OG 2.62Å; E126-F262 HydrophobicContact CG-CD1 4.16Å; E126-F288 HydrophobicContact CG-CE2 3.76Å; E126-F288 HydrophobicContact CG-CZ 4.35Å
127P96.3Very high93.5Very high73 Ų7331.5 Ų31.547%0.47416%0.162SC..Hα-helixtrans-58-37.6172.3-26.736.7000114.3T125 R130 V131 P297T125-P127 VanDerWaalsContact C-N 3.35Å; P127-R130 PolarHBondContact O-N 3.35Å; P127-V131 WeakPolarHBondContact O-CG2 3.25Å; P127-V131 PolarHBondContact O-N 3.09Å; P127-P297 HydrophobicContact CB-CB 4.29Å; P127-P297 HydrophobicContact CB-CG 4.2Å
128Q97.4Very high93.9Very high10 Ų1033.8 Ų33.85%0.04717%0.172CC..Hα-helixtrans-68.8-45.8176.3-72.9159.6-21.800110.9L124 T125 E126 R130 V131 V132 P297 L298L124-Q128 HydrophobicContact CB-CB 3.99Å; L124-Q128 HydrophobicContact CD2-CB 3.97Å; L124-Q128 HydrophobicContact CG-CB 3.95Å; T125-Q128 WeakPolarHBondContact O-CA 3.33Å; T125-Q128 WeakPolarHBondContact O-CB 3.36Å; T125-Q128 PolarHBondContact O-N 2.91Å; T125-Q128 WeakPolarHBondContact OG1-CG 3.25Å; T125-Q128 PolarHBondContact OG1-OE1 3.05Å; E126-Q128 VanDerWaalsContact C-N 3.31Å; E126-Q128 PolarHBondContact O-N 3.23Å; Q128-R130 VanDerWaalsContact C-N 3.29Å; Q128-R130 PolarHBondContact O-N 3.26Å; Q128-V131 PolarHBondContact O-N 2.75Å; Q128-V132 PolarHBondContact O-N 3.02Å; Q128-V132 VanDerWaalsContact O-N 3.09Å; Q128-P297 HydrophobicContact CG-CB 3.79Å; Q128-P297 VanDerWaalsContact CG-O 3.26Å; Q128-P297 WeakPolarHBondContact CG-O 3.29Å; Q128-P297 PolarHBondContact NE2-O 2.91Å; Q128-L298 HydrophobicContact CB-CD2 3.95Å; Q128-L298 HydrophobicContact CG-CD2 4.15Å
129I98.1Very high94.6Very high0 Ų029.1 Ų29.10%015%0.148CC..Hα-helixtrans-59.6-39.7175.3-60.5175.5000111L124 T125 E126 V131 V132 C133 L222 L225 A226 W258 F262 F288L124-I129 HydrophobicContact CB-CD1 4.3Å; L124-I129 HydrophobicContact CB-CG1 3.64Å; T125-I129 WeakPolarHBondContact O-CG1 3.47Å; T125-I129 PolarHBondContact O-N 3.02Å; E126-I129 PolarHBondContact O-N 2.87Å; I129-V131 PolarHBondContact O-N 3.4Å; I129-V132 PolarHBondContact O-N 2.9Å; I129-C133 WeakPolarHBondContact O-CB 3.26Å; I129-C133 PolarHBondContact O-N 2.92Å; I129-L222 HydrophobicContact CG2-CD2 3.64Å; I129-L225 HydrophobicContact CD1-CB 4.41Å; I129-L225 HydrophobicContact CG1-CB 4.17Å; I129-A226 HydrophobicContact CD1-CB 3.84Å; I129-W258 HydrophobicContact CD1-CH2 4.04Å; I129-W258 HydrophobicContact CD1-CZ3 3.92Å; I129-F262 HydrophobicContact CD1-CE1 4.1Å; I129-F262 HydrophobicContact CD1-CZ 4.18Å; I129-F262 HydrophobicContact CG2-CE2 4.11Å; I129-F262 HydrophobicContact CG2-CZ 3.9Å; I129-F288 HydrophobicContact CG2-CE1 4.42Å; I129-F288 HydrophobicContact CG2-CZ 4.03Å
130R97.6Very high95.3Very high44 Ų4423.3 Ų23.317%0.16612%0.121CC..Hα-helixtrans-61.1-40.9177-73.9174.867.2108.39.4112.7E126 P127 Q128 R134 P287 F288 T291 V292E126-R130 HydrophobicContact CG-CG 4.44Å; E126-R130 WeakPolarHBondContact O-CB 3.36Å; E126-R130 VanDerWaalsContact O-CG 3.24Å; E126-R130 WeakPolarHBondContact O-CG 3.44Å; E126-R130 PolarHBondContact O-N 2.69Å; P127-R130 PolarHBondContact O-N 3.35Å; Q128-R130 VanDerWaalsContact C-N 3.29Å; Q128-R130 PolarHBondContact O-N 3.26Å; R130-R134 WeakPolarHBondContact O-CB 3.47Å; R130-R134 PolarHBondContact O-N 3.27Å; R130-P287 PolarHBondContact NH2-O 2.9Å; R130-F288 HydrophobicContact CG-CD2 3.81Å; R130-F288 HydrophobicContact CG-CE1 4.19Å; R130-F288 HydrophobicContact CG-CE2 3.32Å; R130-F288 HydrophobicContact CG-CG 4.41Å; R130-F288 HydrophobicContact CG-CZ 3.53Å; R130-F288 VanDerWaalsContact CG-O 3.32Å; R130-F288 WeakPolarHBondContact CG-O 3.44Å; R130-F288 PolarHBondContact NE-O 2.98Å; R130-F288 PolarHBondContact NH1-O 3.31Å; R130-F288 PolarHBondContact NH2-O 2.99Å; R130-F288 VanDerWaalsContact NH2-O 3.08Å; R130-T291 PolarHBondContact NH2-OG1 2.92Å; R130-V292 HydrophobicContact CB-CG2 3.94Å
131V97.9Very high95.9Very high4 Ų424.7 Ų24.72%0.02413%0.128CC..Hα-helixtrans-67.7-50.3176.4-179.50000110.9P127 Q128 I129 C133 R134 Q135 V292 S294 N295 P297 L298P127-V131 WeakPolarHBondContact O-CG2 3.25Å; P127-V131 PolarHBondContact O-N 3.09Å; Q128-V131 PolarHBondContact O-N 2.75Å; I129-V131 PolarHBondContact O-N 3.4Å; V131-C133 VanDerWaalsContact C-N 3.34Å; V131-C133 PolarHBondContact O-N 3.11Å; V131-R134 PolarHBondContact O-N 2.95Å; V131-Q135 HydrophobicContact CG1-CG 4.47Å; V131-Q135 PolarHBondContact O-N 2.7Å; V131-V292 HydrophobicContact CG2-CG1 4Å; V131-S294 WeakPolarHBondContact CG2-O 3.15Å; V131-N295 HydrophobicContact CG1-CB 3.96Å; V131-P297 HydrophobicContact CG2-CB 4.45Å; V131-P297 HydrophobicContact CG2-CG 4.19Å; V131-L298 HydrophobicContact CB-CD1 3.89Å; V131-L298 HydrophobicContact CB-CG 3.97Å; V131-L298 HydrophobicContact CG1-CD1 3.43Å; V131-L298 VanDerWaalsContact CG1-CD1 3.43Å; V131-L298 HydrophobicContact CG1-CG 3.83Å
132V98.2Very high96.5Very high0 Ų024.5 Ų24.50%012%0.123CC..Hα-helixtrans-56.8-49.4177.5176.20000110.3L124 Q128 I129 R134 Q135 M136 V158 I166 L225 L298L124-V132 HydrophobicContact CD2-CG2 4.17Å; Q128-V132 PolarHBondContact O-N 3.02Å; Q128-V132 VanDerWaalsContact O-N 3.09Å; I129-V132 PolarHBondContact O-N 2.9Å; V132-R134 PolarHBondContact O-N 3.43Å; V132-Q135 PolarHBondContact O-N 3.22Å; V132-M136 HydrophobicContact CG1-CG 3.98Å; V132-M136 HydrophobicContact CG1-SD 3.69Å; V132-M136 WeakPolarHBondContact O-CB 3.44Å; V132-M136 VanDerWaalsContact O-CG 3.25Å; V132-M136 WeakPolarHBondContact O-CG 3.33Å; V132-M136 PolarHBondContact O-N 3.24Å; V132-V158 HydrophobicContact CG1-CG1 4.2Å; V132-I166 HydrophobicContact CB-CG2 4.46Å; V132-I166 HydrophobicContact CG1-CG2 4.33Å; V132-I166 HydrophobicContact CG2-CG2 4.14Å; V132-L225 HydrophobicContact CB-CD1 4.18Å; V132-L225 HydrophobicContact CG1-CD1 3.71Å; V132-L298 HydrophobicContact CG2-CD1 3.75Å; V132-L298 HydrophobicContact CG2-CD2 3.89Å; V132-L298 HydrophobicContact CG2-CG 4.47Å
133C98.4Very high96.7Very high0 Ų021.8 Ų21.80%011%0.113CC..Hα-helixtrans-56.6-47178-172.50000112.3I129 V131 M136 L137 L222 F265 F288 V289I129-C133 WeakPolarHBondContact O-CB 3.26Å; I129-C133 PolarHBondContact O-N 2.92Å; V131-C133 VanDerWaalsContact C-N 3.34Å; V131-C133 PolarHBondContact O-N 3.11Å; C133-M136 PolarHBondContact O-N 3.22Å; C133-L137 WeakPolarHBondContact O-CB 3.42Å; C133-L137 VanDerWaalsContact O-CG 3.22Å; C133-L137 WeakPolarHBondContact O-CG 3.3Å; C133-L137 PolarHBondContact O-N 3.41Å; C133-L222 HydrophobicContact CB-CD1 4.4Å; C133-L222 HydrophobicContact CB-CD2 3.66Å; C133-F265 WeakPolarHBondContact SG-CZ 3.41Å; C133-F288 HydrophobicContact CB-CE1 4.1Å; C133-V289 HydrophobicContact CB-CG1 3.84Å; C133-V289 VanDerWaalsContact SG-CG1 3.59Å
134R98Very high96.8Very high50 Ų5021.6 Ų21.619%0.18911%0.107CC..Hα-helixtrans-59.9-48.5178.2178.865.7-166.2-159.94.4111.5R130 V131 V132 L137 E138 L284 V289 V292R130-R134 WeakPolarHBondContact O-CB 3.47Å; R130-R134 PolarHBondContact O-N 3.27Å; V131-R134 PolarHBondContact O-N 2.95Å; V132-R134 PolarHBondContact O-N 3.43Å; R134-L137 PolarHBondContact O-N 2.69Å; R134-E138 IonicContact CZ-OE1 3.45Å; R134-E138 IonicContact NE-OE1 3.05Å; R134-E138 PolarHBondContact NE-OE1 3.25Å; R134-E138 IonicContact NH2-OE1 3.01Å; R134-E138 PolarHBondContact NH2-OE1 3Å; R134-E138 PolarHBondContact O-N 3.01Å; R134-E138 VanDerWaalsContact O-N 3.13Å; R134-L284 PolarHBondContact NH1-O 3.17Å; R134-V289 HydrophobicContact CB-CB 4.1Å; R134-V289 HydrophobicContact CB-CG1 4.21Å; R134-V292 HydrophobicContact CB-CB 4.23Å; R134-V292 HydrophobicContact CB-CG1 4.24Å; R134-V292 HydrophobicContact CG-CB 4.17Å; R134-V292 HydrophobicContact CG-CG1 4.31Å
135Q98.1Very high96.6Very high9 Ų927.8 Ų27.84%0.04214%0.136CC..Hα-helixtrans-71.7-36.7-177.6-64.1-170.3-22.100112.4Y87 V131 V132 L137 E138 A139 D165 I166Y87-Q135 HydrophobicContact CD1-CB 4.16Å; Y87-Q135 HydrophobicContact CD1-CG 4.25Å; Y87-Q135 HydrophobicContact CD2-CB 3.72Å; Y87-Q135 HydrophobicContact CD2-CG 4.17Å; Y87-Q135 WeakPolarHBondContact CD2-O 3.36Å; Y87-Q135 HydrophobicContact CE1-CB 4.22Å; Y87-Q135 HydrophobicContact CE1-CG 3.81Å; Y87-Q135 HydrophobicContact CE2-CB 3.79Å; Y87-Q135 HydrophobicContact CE2-CG 3.73Å; Y87-Q135 HydrophobicContact CG-CB 3.94Å; Y87-Q135 HydrophobicContact CG-CG 4.44Å; Y87-Q135 PolarHBondContact OH-NE2 3.23Å; V131-Q135 HydrophobicContact CG1-CG 4.47Å; V131-Q135 PolarHBondContact O-N 2.7Å; V132-Q135 PolarHBondContact O-N 3.22Å; Q135-L137 VanDerWaalsContact C-N 3.35Å; Q135-L137 PolarHBondContact O-N 2.93Å; Q135-E138 PolarHBondContact O-N 2.88Å; Q135-A139 PolarHBondContact O-N 3.1Å; Q135-D165 PolarHBondContact NE2-OD1 3.18Å; Q135-I166 HydrophobicContact CB-CD1 3.7Å; Q135-I166 HydrophobicContact CB-CG1 3.73Å
136M98.3Very high96.2Very high0 Ų028.5 Ų28.50%014%0.136CC..Hα-helixtrans-60.6-44.1172.1-73.3-17682.200110.9V132 C133 E138 A139 L140 L153 V158 I166 L168 L218 T221V132-M136 HydrophobicContact CG1-CG 3.98Å; V132-M136 HydrophobicContact CG1-SD 3.69Å; V132-M136 WeakPolarHBondContact O-CB 3.44Å; V132-M136 VanDerWaalsContact O-CG 3.25Å; V132-M136 WeakPolarHBondContact O-CG 3.33Å; V132-M136 PolarHBondContact O-N 3.24Å; C133-M136 PolarHBondContact O-N 3.22Å; M136-E138 VanDerWaalsContact C-N 3.35Å; M136-E138 PolarHBondContact O-N 3.48Å; M136-A139 PolarHBondContact O-N 3.22Å; M136-L140 WeakPolarHBondContact O-CB 3.45Å; M136-L140 VanDerWaalsContact O-CG 3.29Å; M136-L140 WeakPolarHBondContact O-CG 3.39Å; M136-L140 PolarHBondContact O-N 2.96Å; M136-L153 HydrophobicContact CE-CD2 4.15Å; M136-V158 HydrophobicContact CE-CG2 3.85Å; M136-V158 HydrophobicContact SD-CG2 3.99Å; M136-I166 HydrophobicContact CB-CD1 4.12Å; M136-I166 HydrophobicContact CG-CD1 3.38Å; M136-I166 VanDerWaalsContact N-CD1 3.32Å; M136-L168 HydrophobicContact CE-CD2 4.07Å; M136-L168 HydrophobicContact CG-CD2 4.17Å; M136-L218 HydrophobicContact CB-CD1 4Å; M136-L218 HydrophobicContact CE-CD1 3.76Å; M136-L218 HydrophobicContact CG-CD1 4.44Å; M136-L218 HydrophobicContact SD-CD1 3.58Å; M136-L218 VanDerWaalsContact SD-CD1 3.58Å; M136-T221 HydrophobicContact CE-CG2 4.22Å; M136-T221 HydrophobicContact SD-CG2 4.45Å
137L98.3Very high95.8Very high0 Ų032.5 Ų32.50%015%0.152CC..Hα-helixtrans-63.9-36.9177.4-75.2169.3000112.8C133 R134 Q135 N141 L218 F265 A280 L283 L284 V289C133-L137 WeakPolarHBondContact O-CB 3.42Å; C133-L137 VanDerWaalsContact O-CG 3.22Å; C133-L137 WeakPolarHBondContact O-CG 3.3Å; C133-L137 PolarHBondContact O-N 3.41Å; R134-L137 PolarHBondContact O-N 2.69Å; Q135-L137 VanDerWaalsContact C-N 3.35Å; Q135-L137 PolarHBondContact O-N 2.93Å; L137-N141 WeakPolarHBondContact O-CB 3.5Å; L137-N141 PolarHBondContact O-N 2.99Å; L137-L218 HydrophobicContact CD2-CD2 3.51Å; L137-L218 HydrophobicContact CG-CD2 3.94Å; L137-F265 HydrophobicContact CD1-CE2 3.96Å; L137-F265 HydrophobicContact CD1-CZ 3.91Å; L137-A280 HydrophobicContact CD2-CB 4.2Å; L137-L283 HydrophobicContact CD1-CB 3.9Å; L137-L283 HydrophobicContact CD2-CB 3.62Å; L137-L283 HydrophobicContact CD2-CD1 4.01Å; L137-L283 HydrophobicContact CD2-CG 4.48Å; L137-L283 HydrophobicContact CG-CB 4.43Å; L137-L284 HydrophobicContact CB-CD2 3.41Å; L137-L284 VanDerWaalsContact CB-CD2 3.41Å; L137-L284 HydrophobicContact CB-CG 3.89Å; L137-L284 HydrophobicContact CD1-CD2 4.22Å; L137-L284 HydrophobicContact CG-CD2 4.48Å; L137-V289 HydrophobicContact CD1-CG1 4.29Å; L137-V289 HydrophobicContact CD1-CG2 3.89Å
138E97.9Very high95.4Very high51 Ų5129.1 Ų29.124%0.23813%0.131CC..Hα-helixtrans-66.6-41.8174.9-70.3-177.8-17300111.2Y87 R134 Q135 M136 N141 Y142 L284Y87-E138 HydrophobicContact CD2-CB 4.14Å; Y87-E138 HydrophobicContact CE2-CB 4.1Å; Y87-E138 WeakPolarHBondContact CE2-OE2 3.32Å; R134-E138 IonicContact CZ-OE1 3.45Å; R134-E138 IonicContact NE-OE1 3.05Å; R134-E138 PolarHBondContact NE-OE1 3.25Å; R134-E138 IonicContact NH2-OE1 3.01Å; R134-E138 PolarHBondContact NH2-OE1 3Å; R134-E138 PolarHBondContact O-N 3.01Å; R134-E138 VanDerWaalsContact O-N 3.13Å; Q135-E138 PolarHBondContact O-N 2.88Å; M136-E138 VanDerWaalsContact C-N 3.35Å; M136-E138 PolarHBondContact O-N 3.48Å; E138-N141 PolarHBondContact O-N 3.4Å; E138-Y142 PolarHBondContact O-N 3.01Å; E138-Y142 VanDerWaalsContact O-N 3.09Å; E138-L284 HydrophobicContact CG-CD1 4.18Å; E138-L284 HydrophobicContact CG-CD2 3.64Å
139A97.3Very high94.9Very high0 Ų028.9 Ų28.90%013%0.13CC..Hα-helixtrans-64.8-44.6174.600000113.5I88 Q135 M136 Y142 L143 L168I88-A139 HydrophobicContact CG1-CB 4.12Å; Q135-A139 PolarHBondContact O-N 3.1Å; M136-A139 PolarHBondContact O-N 3.22Å; A139-Y142 WeakPolarHBondContact O-CB 3.38Å; A139-Y142 PolarHBondContact O-N 3.03Å; A139-L143 WeakPolarHBondContact O-CG 3.27Å; A139-L143 PolarHBondContact O-N 3.24Å; A139-L168 HydrophobicContact CB-CD1 3.62Å; A139-L168 HydrophobicContact CB-CG 4.18Å
140L96.4Very high94.5Very high0 Ų028.9 Ų28.90%013%0.13CC..Hα-helixtrans-66.4-39.9176.8-68.8174.5000111.3M136 Y142 L143 H144 H150 L153 L168 D214 L218 A280M136-L140 WeakPolarHBondContact O-CB 3.45Å; M136-L140 VanDerWaalsContact O-CG 3.29Å; M136-L140 WeakPolarHBondContact O-CG 3.39Å; M136-L140 PolarHBondContact O-N 2.96Å; L140-Y142 VanDerWaalsContact C-N 3.29Å; L140-Y142 PolarHBondContact O-N 3.45Å; L140-L143 HydrophobicContact CD2-CD1 4.35Å; L140-L143 PolarHBondContact O-N 2.93Å; L140-H144 VanDerWaalsContact O-CB 3.29Å; L140-H144 WeakPolarHBondContact O-CB 3.48Å; L140-H144 PolarHBondContact O-CD2 3.36Å; L140-H144 VanDerWaalsContact O-CD2 3.3Å; L140-H144 PolarHBondContact O-N 3.32Å; L140-H150 HydrophobicContact CD2-CB 4.38Å; L140-L153 HydrophobicContact CD1-CD1 3.81Å; L140-L153 HydrophobicContact CD2-CD1 3.87Å; L140-L153 HydrophobicContact CD2-CD2 4.3Å; L140-L153 HydrophobicContact CG-CD1 4.44Å; L140-L168 HydrophobicContact CD2-CD1 4.33Å; L140-L168 HydrophobicContact CG-CD1 4.49Å; L140-D214 HydrophobicContact CD2-CB 4.1Å; L140-L218 HydrophobicContact CD1-CB 4.4Å; L140-L218 HydrophobicContact CD1-CD2 4.26Å; L140-A280 HydrophobicContact CB-CB 4.19Å
141N96.3Very high94Very high42 Ų4229.2 Ų29.223%0.22513%0.131CC..Hα-helixtrans-58.4-42.6174.2-174.453.5000111.6L137 E138 H145 A280 L284L137-N141 WeakPolarHBondContact O-CB 3.5Å; L137-N141 PolarHBondContact O-N 2.99Å; E138-N141 PolarHBondContact O-N 3.4Å; N141-H145 PolarHBondContact O-N 3.3Å; N141-H145 VanDerWaalsContact O-N 3.12Å; N141-H145 PolarHBondContact O-ND1 3.09Å; N141-H145 PolarHBondContact OD1-CE1 3.07Å; N141-H145 PolarHBondContact OD1-ND1 3Å; N141-A280 HydrophobicContact CB-CB 3.92Å; N141-L284 HydrophobicContact CB-CD1 4.3Å
142Y96.2Very high93.6Very high58 Ų5829.4 Ų29.423%0.22713%0.132CC..Hα-helixtrans-60.7-52.5173.5175.4-88.1000112.1C83 D84 H85 I88 E138 A139 L140 H144 H145 M146C83-Y142 HydrophobicContact CB-CE1 4.14Å; D84-Y142 PolarHBondContact N-OH 2.76Å; D84-Y142 WeakPolarHBondContact O-CE2 3.26Å; D84-Y142 PolarHBondContact O-OH 3.02Å; H85-Y142 HydrophobicContact CB-CD1 3.9Å; H85-Y142 HydrophobicContact CB-CD2 4.18Å; H85-Y142 HydrophobicContact CB-CE1 3.91Å; H85-Y142 HydrophobicContact CB-CE2 4.16Å; H85-Y142 HydrophobicContact CB-CG 4.04Å; H85-Y142 AromaticContact CD2-CD2 3.67Å; H85-Y142 AromaticContact CD2-CG 3.78Å; H85-Y142 AromaticContact CG-CG 3.92Å; I88-Y142 HydrophobicContact CD1-CD1 3.81Å; I88-Y142 HydrophobicContact CD1-CE1 4.18Å; E138-Y142 PolarHBondContact O-N 3.01Å; E138-Y142 VanDerWaalsContact O-N 3.09Å; A139-Y142 WeakPolarHBondContact O-CB 3.38Å; A139-Y142 PolarHBondContact O-N 3.03Å; L140-Y142 VanDerWaalsContact C-N 3.29Å; L140-Y142 PolarHBondContact O-N 3.45Å; Y142-H144 PolarHBondContact O-N 3.06Å; Y142-H145 PolarHBondContact O-N 3.29Å; Y142-M146 HydrophobicContact CD1-SD 4.17Å; Y142-M146 HydrophobicContact CE1-CG 4.25Å; Y142-M146 HydrophobicContact CE1-SD 3.37Å; Y142-M146 WeakPolarHBondContact CE1-SD 3.34Å; Y142-M146 HydrophobicContact CE2-SD 4.39Å; Y142-M146 VanDerWaalsContact CZ-SD 3.51Å; Y142-M146 PolarHBondContact O-N 2.95Å
143L93Very high93.4Very high0 Ų029.5 Ų29.50%013%0.132CC..Hα-helixtrans-58.5-44.3179.5-71.9167.1000112.3I88 A139 L140 H145 M146 K147 I148 F171I88-L143 HydrophobicContact CD1-CD1 4.1Å; I88-L143 HydrophobicContact CD1-CD2 3.89Å; I88-L143 HydrophobicContact CD1-CG 3.8Å; A139-L143 WeakPolarHBondContact O-CG 3.27Å; A139-L143 PolarHBondContact O-N 3.24Å; L140-L143 HydrophobicContact CD2-CD1 4.35Å; L140-L143 PolarHBondContact O-N 2.93Å; L143-H145 VanDerWaalsContact C-N 3.33Å; L143-H145 PolarHBondContact O-N 3.09Å; L143-M146 CarbonylContact O-C 3.6Å; L143-M146 WeakPolarHBondContact O-CA 3.31Å; L143-M146 WeakPolarHBondContact O-CB 3.44Å; L143-M146 PolarHBondContact O-N 3.45Å; L143-M146 VanDerWaalsContact O-N 3.09Å; L143-K147 PolarHBondContact O-N 3.25Å; L143-K147 VanDerWaalsContact O-N 3.08Å; L143-I148 CarbonylContact C-O 3.58Å; L143-I148 HydrophobicContact CB-CB 4.36Å; L143-I148 HydrophobicContact CD2-CB 3.98Å; L143-I148 HydrophobicContact CD2-CD1 4.2Å; L143-I148 HydrophobicContact CD2-CG2 3.86Å; L143-I148 PolarHBondContact O-N 3.4Å; L143-F171 HydrophobicContact CD1-CE1 3.88Å; L143-F171 HydrophobicContact CD1-CZ 4.23Å; L143-F171 HydrophobicContact CD2-CE1 3.88Å; L143-F171 HydrophobicContact CD2-CZ 4.48Å
144H91.8Very high93.1Very high14 Ų1431.7 Ų31.77%0.06514%0.142CC..Hα-helixtrans-68.3-31.5-178.8-62.4177.7000112.2L140 Y142 K147 I148 Y211 D214L140-H144 VanDerWaalsContact O-CB 3.29Å; L140-H144 WeakPolarHBondContact O-CB 3.48Å; L140-H144 PolarHBondContact O-CD2 3.36Å; L140-H144 VanDerWaalsContact O-CD2 3.3Å; L140-H144 PolarHBondContact O-N 3.32Å; Y142-H144 PolarHBondContact O-N 3.06Å; H144-K147 PolarHBondContact O-N 3.4Å; H144-I148 PolarHBondContact CD2-O 2.86Å; H144-Y211 HydrophobicContact CB-CG 4.38Å; H144-Y211 PolarHBondContact CE1-O 2.85Å; H144-Y211 AromaticContact ND1-CD2 3.88Å; H144-D214 IonicContact CD2-OD2 3.3Å; H144-D214 IonicContact CE1-OD2 3.14Å; H144-D214 IonicContact NE2-OD2 2.86Å; H144-D214 PolarHBondContact NE2-OD2 2.76Å
145H90.8Very high92.9Very high134 Ų13429.3 Ų29.362%0.6213%0.133SC*.Hα-helixtrans-67.1-41.5168.9-80.979.7000111.7N141 Y142 L143 K147N141-H145 PolarHBondContact O-N 3.3Å; N141-H145 VanDerWaalsContact O-N 3.12Å; N141-H145 PolarHBondContact O-ND1 3.09Å; N141-H145 PolarHBondContact OD1-CE1 3.07Å; N141-H145 PolarHBondContact OD1-ND1 3Å; Y142-H145 PolarHBondContact O-N 3.29Å; L143-H145 VanDerWaalsContact C-N 3.33Å; L143-H145 PolarHBondContact O-N 3.09Å; H145-K147 PolarHBondContact O-N 3.29Å
146M88.6Confident92.6Very high77 Ų7729.7 Ų29.738%0.37914%0.139SC..THydrogen-bonded Turntrans-71.1-0.4173.6-66.6-161.677.500114.9K82 Y142 L143 I148K82-M146 WeakPolarHBondContact O-CE 3.4Å; Y142-M146 HydrophobicContact CD1-SD 4.17Å; Y142-M146 HydrophobicContact CE1-CG 4.25Å; Y142-M146 HydrophobicContact CE1-SD 3.37Å; Y142-M146 WeakPolarHBondContact CE1-SD 3.34Å; Y142-M146 HydrophobicContact CE2-SD 4.39Å; Y142-M146 VanDerWaalsContact CZ-SD 3.51Å; Y142-M146 PolarHBondContact O-N 2.95Å; L143-M146 CarbonylContact O-C 3.6Å; L143-M146 WeakPolarHBondContact O-CA 3.31Å; L143-M146 WeakPolarHBondContact O-CB 3.44Å; L143-M146 PolarHBondContact O-N 3.45Å; L143-M146 VanDerWaalsContact O-N 3.09Å; M146-I148 VanDerWaalsContact C-N 3.28Å; M146-I148 HydrophobicContact CB-CD1 3.97Å; M146-I148 HydrophobicContact CB-CG1 4.18Å; M146-I148 PolarHBondContact O-N 2.93Å; M146-I148 HydrophobicContact SD-CD1 4.47Å
147K86.8Confident92.4Very high116 Ų11630.3 Ų30.350%0.50414%0.143SC..THydrogen-bonded Turntrans61.534-175.1-49.8-57.4171.8-165.70113.4L143 H144 H145 K176 N177L143-K147 PolarHBondContact O-N 3.25Å; L143-K147 VanDerWaalsContact O-N 3.08Å; H144-K147 PolarHBondContact O-N 3.4Å; H145-K147 PolarHBondContact O-N 3.29Å; K147-K176 CarbonylContact O-C 3.53Å; K147-K176 WeakPolarHBondContact O-CA 3.37Å; K147-N177 HydrophobicContact CB-CB 4.4Å; K147-N177 PolarHBondContact O-N 2.98Å
148I87.1Confident92.3Very high3 Ų330.4 Ų30.42%0.01514%0.143CC..EExtended strand (participates in β ladder)trans-105139.5172-57.6167.6000108.4I79 L143 H144 M146 A175 K176I79-I148 HydrophobicContact CD1-CG2 4.08Å; I79-I148 HydrophobicContact CG1-CG2 4.42Å; I79-I148 HydrophobicContact CG2-CD1 4.34Å; I79-I148 HydrophobicContact CG2-CG2 4.3Å; L143-I148 CarbonylContact C-O 3.58Å; L143-I148 HydrophobicContact CB-CB 4.36Å; L143-I148 HydrophobicContact CD2-CB 3.98Å; L143-I148 HydrophobicContact CD2-CD1 4.2Å; L143-I148 HydrophobicContact CD2-CG2 3.86Å; L143-I148 PolarHBondContact O-N 3.4Å; H144-I148 PolarHBondContact CD2-O 2.86Å; M146-I148 VanDerWaalsContact C-N 3.28Å; M146-I148 HydrophobicContact CB-CD1 3.97Å; M146-I148 HydrophobicContact CB-CG1 4.18Å; M146-I148 PolarHBondContact O-N 2.93Å; M146-I148 HydrophobicContact SD-CD1 4.47Å; I148-A175 WeakPolarHBondContact CA-O 3.43Å; I148-K176 HydrophobicContact CG1-CG 4.12Å
149I87.4Confident92.2Very high5 Ų529.6 Ų29.63%0.02614%0.14CC..EExtended strand (participates in β ladder)trans-119.9130.2175.3-50.8173.8000107.8R151 S174 A175 D214I149-R151 HydrophobicContact CB-CG 4.33Å; I149-R151 HydrophobicContact CG2-CG 3.79Å; I149-S174 VanDerWaalsContact O-CA 3.3Å; I149-S174 WeakPolarHBondContact O-CA 3.12Å; I149-S174 VanDerWaalsContact O-CB 3.25Å; I149-S174 WeakPolarHBondContact O-CB 3.5Å; I149-A175 PolarHBondContact N-O 3.07Å; I149-A175 PolarHBondContact O-N 3.11Å; I149-D214 WeakPolarHBondContact CG2-OD1 3.44Å; I149-D214 WeakPolarHBondContact CG2-OD2 3.4Å
150H90.1Very high92.2Very high0 Ų029.6 Ų29.60%014%0.14CC..  trans-73.9-46.4-172.7-160.7-70.8000112.3L140 D152 L153 A169 F171 S174 D214L140-H150 HydrophobicContact CD2-CB 4.38Å; H150-D152 PolarHBondContact CE1-O 3.45Å; H150-D152 PolarHBondContact ND1-O 2.85Å; H150-D152 PolarHBondContact O-N 3.32Å; H150-L153 HydrophobicContact CB-CD2 4.07Å; H150-L153 HydrophobicContact CB-CG 4.15Å; H150-A169 PolarHBondContact CE1-O 3.44Å; H150-A169 VanDerWaalsContact CE1-O 3.29Å; H150-A169 PolarHBondContact NE2-O 3.19Å; H150-F171 AromaticContact CD2-CE1 3.59Å; H150-F171 AromaticContact CD2-CZ 3.77Å; H150-F171 AromaticContact NE2-CE1 3.93Å; H150-F171 AromaticContact NE2-CZ 3.76Å; H150-S174 PolarHBondContact O-OG 2.85Å; H150-D214 PolarHBondContact N-OD1 3.02Å; H150-D214 PolarHBondContact N-OD2 3.15Å
151R87.3Confident92Very high50 Ų5030.4 Ų30.419%0.18915%0.145CC..  trans67.9-22.2177.7-58.5172.7172.8-179.3-6.4117.9I149 V173 A175 Y209 D214I149-R151 HydrophobicContact CB-CG 4.33Å; I149-R151 HydrophobicContact CG2-CG 3.79Å; R151-V173 HydrophobicContact CB-CG2 4.41Å; R151-V173 VanDerWaalsContact CD-O 3.27Å; R151-V173 WeakPolarHBondContact CD-O 3.36Å; R151-V173 PolarHBondContact NH1-O 3.32Å; R151-A175 VanDerWaalsContact NH2-CB 3.32Å; R151-Y209 VanDerWaalsContact CZ-OH 3.26Å; R151-Y209 PolarHBondContact NE-OH 2.83Å; R151-Y209 PolarHBondContact NH2-OH 3.29Å; R151-D214 PolarHBondContact N-OD1 3.23Å
152D88.8Confident91.7Very high9 Ų932.9 Ų32.95%0.04816%0.158CC..  trans-128.274.6175.9-159.758.3000111.3H150 K154 N157 V173 T190H150-D152 PolarHBondContact CE1-O 3.45Å; H150-D152 PolarHBondContact ND1-O 2.85Å; H150-D152 PolarHBondContact O-N 3.32Å; D152-K154 WeakPolarHBondContact OD2-CE 3.48Å; D152-K154 IonicContact OD2-NZ 3.75Å; D152-K154 PolarHBondContact OD2-NZ 3.12Å; D152-N157 PolarHBondContact O-ND2 3.46Å; D152-N157 PolarHBondContact OD2-ND2 3.11Å; D152-N157 VanDerWaalsContact OD2-ND2 3.09Å; D152-V173 HydrophobicContact CB-CG2 3.68Å; D152-T190 WeakPolarHBondContact OD1-CB 3.47Å; D152-T190 PolarHBondContact OD1-N 3.02Å; D152-T190 PolarHBondContact OD1-OG1 3.17Å
153L93.7Very high91.5Very high2 Ų235.7 Ų35.71%0.0117%0.173CC..  trans-96.2123.9172.5-64170.1000109.5M136 L140 H150 L168 D214 L218 T221M136-L153 HydrophobicContact CE-CD2 4.15Å; L140-L153 HydrophobicContact CD1-CD1 3.81Å; L140-L153 HydrophobicContact CD2-CD1 3.87Å; L140-L153 HydrophobicContact CD2-CD2 4.3Å; L140-L153 HydrophobicContact CG-CD1 4.44Å; H150-L153 HydrophobicContact CB-CD2 4.07Å; H150-L153 HydrophobicContact CB-CG 4.15Å; L153-L168 HydrophobicContact CD2-CD1 4.27Å; L153-L168 HydrophobicContact CD2-CD2 4.23Å; L153-D214 HydrophobicContact CD1-CB 3.85Å; L153-D214 VanDerWaalsContact CD1-O 3.3Å; L153-D214 WeakPolarHBondContact CD1-O 3.2Å; L153-L218 HydrophobicContact CD1-CB 4.5Å; L153-T221 PolarHBondContact O-OG1 3.47Å
154K94Very high91.5Very high45 Ų4535.7 Ų35.720%0.19617%0.173CC..  trans-159.8162.6178.766.1-156.5-173.3-153.50108.7D152 G156 N157 T190 W193D152-K154 WeakPolarHBondContact OD2-CE 3.48Å; D152-K154 IonicContact OD2-NZ 3.75Å; D152-K154 PolarHBondContact OD2-NZ 3.12Å; K154-G156 PolarHBondContact O-N 3.44Å; K154-N157 VanDerWaalsContact CE-OD1 3.25Å; K154-N157 WeakPolarHBondContact CE-OD1 3.4Å; K154-N157 HydrophobicContact CG-CB 4.19Å; K154-N157 PolarHBondContact O-N 3Å; K154-T190 PolarHBondContact NZ-OG1 3.25Å; K154-W193 HydrophobicContact CB-CD2 3.96Å; K154-W193 HydrophobicContact CB-CG 4.23Å; K154-W193 HydrophobicContact CB-CZ2 3.86Å
155A93.7Very high91.7Very high0 Ų035.7 Ų35.70%017%0.174CC..G310 helixtrans-62.1-30.8-174.500000113.4V113 D114 M117 N157 V158 E224 L225V113-A155 HydrophobicContact CB-CB 4.48Å; V113-A155 PolarHBondContact N-O 2.86Å; D114-A155 HydrophobicContact CB-CB 4.16Å; M117-A155 HydrophobicContact CE-CB 4.03Å; A155-N157 VanDerWaalsContact C-N 3.26Å; A155-N157 PolarHBondContact O-N 3.29Å; A155-V158 PolarHBondContact O-N 3.45Å; A155-V158 VanDerWaalsContact O-N 3.16Å; A155-E224 HydrophobicContact CB-CG 3.99Å; A155-E224 WeakPolarHBondContact CB-OE1 3.41Å; A155-E224 PolarHBondContact N-OE1 3.46Å; A155-E224 PolarHBondContact N-OE2 2.97Å; A155-L225 HydrophobicContact CB-CD2 3.64Å
156G90.3Very high92Very high18 Ų1829.3 Ų29.319%0.18614%0.144CC..G310 helixtrans-65.8-21.8173.400000115.3D114 K154D114-G156 VanDerWaalsContact CG-CA 3.42Å; D114-G156 WeakPolarHBondContact OD1-CA 3.5Å; D114-G156 WeakPolarHBondContact OD2-CA 3.49Å; K154-G156 PolarHBondContact O-N 3.44Å
157N93.8Very high92.4Very high13 Ų1326.5 Ų26.57%0.0713%0.13CC..G310 helixtrans-94.75.6175.4-70.42.7000112.5D152 K154 A155 A169D152-N157 PolarHBondContact O-ND2 3.46Å; D152-N157 PolarHBondContact OD2-ND2 3.11Å; D152-N157 VanDerWaalsContact OD2-ND2 3.09Å; K154-N157 VanDerWaalsContact CE-OD1 3.25Å; K154-N157 WeakPolarHBondContact CE-OD1 3.4Å; K154-N157 HydrophobicContact CG-CB 4.19Å; K154-N157 PolarHBondContact O-N 3Å; A155-N157 VanDerWaalsContact C-N 3.26Å; A155-N157 PolarHBondContact O-N 3.29Å; N157-A169 PolarHBondContact O-N 2.95Å
158V96.8Very high92.9Very high1 Ų121 Ų211%0.00611%0.106CC..EExtended strand (participates in β ladder)trans-105.6109.9170.1-1730000107.7A112 V113 V132 M136 A155 I166 L168A112-V158 CarbonylContact C-O 3.52Å; A112-V158 WeakPolarHBondContact CA-O 3.43Å; V113-V158 HydrophobicContact CG2-CB 3.97Å; V113-V158 HydrophobicContact CG2-CG1 3.76Å; V113-V158 WeakPolarHBondContact CG2-O 3.41Å; V113-V158 PolarHBondContact N-O 2.74Å; V132-V158 HydrophobicContact CG1-CG1 4.2Å; M136-V158 HydrophobicContact CE-CG2 3.85Å; M136-V158 HydrophobicContact SD-CG2 3.99Å; A155-V158 PolarHBondContact O-N 3.45Å; A155-V158 VanDerWaalsContact O-N 3.16Å; V158-I166 HydrophobicContact CG1-CB 3.84Å; V158-I166 HydrophobicContact CG1-CD1 4.24Å; V158-I166 HydrophobicContact CG1-CG2 3.93Å; V158-L168 HydrophobicContact CG2-CD2 4.04Å
159L96.4Very high93.1Very high34 Ų3421.1 Ų21.118%0.17811%0.108CC..EExtended strand (participates in β ladder)trans-96.2157.2175.4-47.4-179.1000110.5V89 C108 G111 A112 I166 K167 A169V89-L159 HydrophobicContact CG1-CD1 4.06Å; C108-L159 HydrophobicContact CB-CB 3.53Å; C108-L159 HydrophobicContact CB-CD1 3.88Å; C108-L159 HydrophobicContact CB-CG 4.33Å; G111-L159 CarbonylContact O-C 3.59Å; G111-L159 WeakPolarHBondContact O-CA 3.45Å; A112-L159 HydrophobicContact CB-CD2 3.7Å; L159-I166 CarbonylContact O-C 3.52Å; L159-I166 WeakPolarHBondContact O-CA 3.38Å; L159-K167 HydrophobicContact CB-CB 4.32Å; L159-K167 PolarHBondContact N-O 2.95Å; L159-K167 PolarHBondContact O-N 3Å; L159-A169 HydrophobicContact CD1-CB 3.8Å; L159-A169 HydrophobicContact CG-CB 3.98Å
160L96.2Very high92.9Very high0 Ų022.6 Ų22.60%012%0.116CC..EExtended strand (participates in β ladder)trans-115.7144.4177.7-62.8177.9000111.6C108 G110 G111 V113 D165 I166 L298 L301 V302C108-L160 CarbonylContact C-O 3.42Å; G110-L160 WeakPolarHBondContact CA-O 3.31Å; G110-L160 PolarHBondContact N-O 3.5Å; G111-L160 PolarHBondContact O-N 2.97Å; V113-L160 HydrophobicContact CG2-CD1 4.05Å; V113-L160 HydrophobicContact CG2-CD2 3.92Å; V113-L160 HydrophobicContact CG2-CG 3.82Å; L160-D165 WeakPolarHBondContact CA-O 3.25Å; L160-I166 HydrophobicContact CD2-CG2 3.95Å; L160-L298 HydrophobicContact CD2-CD1 4.24Å; L160-L301 HydrophobicContact CD1-CD2 4.16Å; L160-V302 HydrophobicContact CB-CG2 3.91Å; L160-V302 HydrophobicContact CD1-CG2 3.62Å; L160-V302 HydrophobicContact CG-CG2 4.37Å
161T94.1Very high92.6Very high17 Ų1722.7 Ų22.710%0.10412%0.116CC..  trans-91.9178.1167.383.40000111.1E163 D165 K167T161-E163 VanDerWaalsContact C-N 3.31Å; T161-E163 WeakPolarHBondContact CB-OE2 3.39Å; T161-E163 PolarHBondContact OG1-N 3.48Å; T161-E163 PolarHBondContact OG1-OE2 3.38Å; T161-D165 HydrophobicContact CG2-CB 4.39Å; T161-D165 PolarHBondContact N-O 3.48Å; T161-D165 PolarHBondContact OG1-N 2.84Å; T161-K167 HydrophobicContact CG2-CG 4Å
162L90Very high91.7Very high94 Ų9421.6 Ų21.649%0.49212%0.12SC..THydrogen-bonded Turntrans-75.6-25.1174.7-81.3167.1000112.3A109 G164 V302A109-L162 HydrophobicContact CB-CD1 4.19Å; A109-L162 HydrophobicContact CB-CG 4.16Å; L162-G164 PolarHBondContact O-N 3.05Å; L162-V302 HydrophobicContact CD2-CG1 4.24Å
163E91.6Very high90.8Very high118 Ų11823 Ų2355%0.55113%0.129SC*.THydrogen-bonded Turntrans-83.55.2-176.8-5268.9-147.900112.2T161 N295 I299T161-E163 VanDerWaalsContact C-N 3.31Å; T161-E163 WeakPolarHBondContact CB-OE2 3.39Å; T161-E163 PolarHBondContact OG1-N 3.48Å; T161-E163 PolarHBondContact OG1-OE2 3.38Å; E163-N295 PolarHBondContact O-ND2 3.16Å; E163-I299 WeakPolarHBondContact O-CG1 3.37Å
164G91.5Very high89.9Confident0 Ų023.2 Ų23.20%013%0.131CC..SBendtrans80.314.3177.500000115.1L162 N295 L298L162-G164 PolarHBondContact O-N 3.05Å; G164-N295 WeakPolarHBondContact O-CB 3.39Å; G164-L298 WeakPolarHBondContact O-CB 3.28Å; G164-L298 WeakPolarHBondContact O-CD1 3.39Å
165D96.3Very high88.6Confident14 Ų1421.6 Ų21.68%0.07513%0.126CC..  trans-92.5150.3174.2-74.9-19.3000112.1R86 Y87 Q135 L160 T161 N295R86-D165 IonicContact CZ-OD2 2.62Å; R86-D165 IonicContact NE-OD2 3.79Å; R86-D165 PolarHBondContact NE-OD2 2.99Å; R86-D165 IonicContact NH2-OD1 2.62Å; R86-D165 PolarHBondContact NH2-OD1 2.62Å; R86-D165 IonicContact NH2-OD2 3.75Å; R86-D165 PolarHBondContact NH2-OD2 3.16Å; Y87-D165 HydrophobicContact CD1-CB 4.25Å; Y87-D165 HydrophobicContact CE1-CB 4.16Å; Q135-D165 PolarHBondContact NE2-OD1 3.18Å; L160-D165 WeakPolarHBondContact CA-O 3.25Å; T161-D165 HydrophobicContact CG2-CB 4.39Å; T161-D165 PolarHBondContact N-O 3.48Å; T161-D165 PolarHBondContact OG1-N 2.84Å; D165-N295 PolarHBondContact OD1-ND2 2.62Å
166I97.6Very high87.1Confident0 Ų024 Ų240%014%0.136CC..EExtended strand (participates in β ladder)trans-83.3160.8168.781.7176000112.1Y87 V132 Q135 M136 V158 L159 L160 L168 L298Y87-I166 WeakPolarHBondContact CA-O 3.42Å; Y87-I166 HydrophobicContact CD1-CG1 4.48Å; Y87-I166 HydrophobicContact CG-CG1 4.32Å; V132-I166 HydrophobicContact CB-CG2 4.46Å; V132-I166 HydrophobicContact CG1-CG2 4.33Å; V132-I166 HydrophobicContact CG2-CG2 4.14Å; Q135-I166 HydrophobicContact CB-CD1 3.7Å; Q135-I166 HydrophobicContact CB-CG1 3.73Å; M136-I166 HydrophobicContact CB-CD1 4.12Å; M136-I166 HydrophobicContact CG-CD1 3.38Å; M136-I166 VanDerWaalsContact N-CD1 3.32Å; V158-I166 HydrophobicContact CG1-CB 3.84Å; V158-I166 HydrophobicContact CG1-CD1 4.24Å; V158-I166 HydrophobicContact CG1-CG2 3.93Å; L159-I166 CarbonylContact O-C 3.52Å; L159-I166 WeakPolarHBondContact O-CA 3.38Å; L160-I166 HydrophobicContact CD2-CG2 3.95Å; I166-L168 HydrophobicContact CD1-CD2 4.47Å; I166-L298 HydrophobicContact CG2-CD1 4.13Å
167K97.5Very high85.6Confident17 Ų1726.5 Ų26.57%0.07415%0.145CC..EExtended strand (participates in β ladder)trans-134.6119.7163-62.5-72.2-168.6156.10109.3R86 V89 E106 L159 T161R86-K167 WeakPolarHBondContact O-CD 3.37Å; R86-K167 VanDerWaalsContact O-CE 3.23Å; R86-K167 WeakPolarHBondContact O-CE 3.44Å; R86-K167 PolarHBondContact O-NZ 2.89Å; V89-K167 HydrophobicContact CG1-CB 3.74Å; E106-K167 VanDerWaalsContact CD-CE 3.47Å; E106-K167 VanDerWaalsContact OE1-CE 3.29Å; E106-K167 WeakPolarHBondContact OE1-CE 3.28Å; E106-K167 IonicContact OE1-NZ 3.51Å; E106-K167 PolarHBondContact OE1-NZ 2.62Å; E106-K167 VanDerWaalsContact OE2-CE 3.27Å; E106-K167 WeakPolarHBondContact OE2-CE 3.47Å; E106-K167 IonicContact OE2-NZ 2.7Å; E106-K167 PolarHBondContact OE2-NZ 3.28Å; L159-K167 HydrophobicContact CB-CB 4.32Å; L159-K167 PolarHBondContact N-O 2.95Å; L159-K167 PolarHBondContact O-N 3Å; T161-K167 HydrophobicContact CG2-CG 4Å
168L96.3Very high83.5Confident0 Ų031.1 Ų31.10%017%0.174CC..EExtended strand (participates in β ladder)trans-71.9135.9169-67.6-173.4000110.4Y87 V89 M136 A139 L140 L153 V158 I166Y87-L168 PolarHBondContact O-N 3.3Å; V89-L168 WeakPolarHBondContact CG2-O 3.29Å; V89-L168 PolarHBondContact N-O 2.76Å; M136-L168 HydrophobicContact CE-CD2 4.07Å; M136-L168 HydrophobicContact CG-CD2 4.17Å; A139-L168 HydrophobicContact CB-CD1 3.62Å; A139-L168 HydrophobicContact CB-CG 4.18Å; L140-L168 HydrophobicContact CD2-CD1 4.33Å; L140-L168 HydrophobicContact CG-CD1 4.49Å; L153-L168 HydrophobicContact CD2-CD1 4.27Å; L153-L168 HydrophobicContact CD2-CD2 4.23Å; V158-L168 HydrophobicContact CG2-CD2 4.04Å; I166-L168 HydrophobicContact CD1-CD2 4.47Å
169A91.5Very high81Confident7 Ų740.1 Ų40.16%0.05821%0.213CC..  trans-137.5171.8-173.300000113.2V89 H150 N157 L159V89-A169 HydrophobicContact CG1-CB 3.83Å; V89-A169 HydrophobicContact CG2-CB 4.18Å; H150-A169 PolarHBondContact CE1-O 3.44Å; H150-A169 VanDerWaalsContact CE1-O 3.29Å; H150-A169 PolarHBondContact NE2-O 3.19Å; N157-A169 PolarHBondContact O-N 2.95Å; L159-A169 HydrophobicContact CD1-CB 3.8Å; L159-A169 HydrophobicContact CG-CB 3.98Å
170D84.3Confident78.5Confident36 Ų3643.5 Ų43.519%0.19324%0.235CC..  trans58.480.5-177.9-159.326.2000114.7K60 G172K60-D170 IonicContact NZ-OD1 2.77Å; K60-D170 PolarHBondContact NZ-OD1 2.87Å; D170-G172 VanDerWaalsContact C-N 3.29Å
171F82.1Confident75.8Confident1 Ų151.7 Ų51.70%0.00428%0.278CS..  trans-9214178.3-69.6-100.4000112.5E76 I79 L80 I88 L143 H150 V173 S174E76-F171 HydrophobicContact CG-CB 4.17Å; E76-F171 PolarHBondContact OE1-N 2.91Å; I79-F171 HydrophobicContact CG2-CB 4.15Å; I79-F171 HydrophobicContact CG2-CD1 3.58Å; I79-F171 HydrophobicContact CG2-CE1 4.16Å; I79-F171 HydrophobicContact CG2-CG 3.96Å; L80-F171 HydrophobicContact CD2-CD2 3.47Å; L80-F171 VanDerWaalsContact CD2-CD2 3.47Å; L80-F171 HydrophobicContact CD2-CE2 3.76Å; L80-F171 HydrophobicContact CD2-CG 4.19Å; L80-F171 HydrophobicContact CG-CD2 4.35Å; I88-F171 HydrophobicContact CG2-CE2 3.87Å; I88-F171 HydrophobicContact CG2-CZ 3.72Å; L143-F171 HydrophobicContact CD1-CE1 3.88Å; L143-F171 HydrophobicContact CD1-CZ 4.23Å; L143-F171 HydrophobicContact CD2-CE1 3.88Å; L143-F171 HydrophobicContact CD2-CZ 4.48Å; H150-F171 AromaticContact CD2-CE1 3.59Å; H150-F171 AromaticContact CD2-CZ 3.77Å; H150-F171 AromaticContact NE2-CE1 3.93Å; H150-F171 AromaticContact NE2-CZ 3.76Å; F171-V173 PolarHBondContact O-N 2.97Å; F171-S174 WeakPolarHBondContact CA-OG 3.43Å; F171-S174 WeakPolarHBondContact CD1-OG 3.49Å; F171-S174 WeakPolarHBondContact O-CB 3.45Å; F171-S174 PolarHBondContact O-N 3.35Å; F171-S174 PolarHBondContact O-OG 2.79Å
172G69.6Low73.2Confident27 Ų2757 Ų5728%0.27830%0.302SS..THydrogen-bonded Turntrans-60.1-17.4-174.900000115.9D170D170-G172 VanDerWaalsContact C-N 3.29Å
173V69.1Low70.9Confident40 Ų4060.7 Ų60.724%0.24231%0.309CS..THydrogen-bonded Turntrans-117.70.8174.3-63.10000114.2R151 D152 F171 I188R151-V173 HydrophobicContact CB-CG2 4.41Å; R151-V173 VanDerWaalsContact CD-O 3.27Å; R151-V173 WeakPolarHBondContact CD-O 3.36Å; R151-V173 PolarHBondContact NH1-O 3.32Å; D152-V173 HydrophobicContact CB-CG2 3.68Å; F171-V173 PolarHBondContact O-N 2.97Å; V173-I188 HydrophobicContact CB-CG2 3.95Å; V173-I188 HydrophobicContact CG1-CG2 4.35Å
174S74.4Confident68.8Low6 Ų660.5 Ų60.54%0.04230%0.303CS..  trans-68.5161-179.3-58.60000112.1I149 H150 F171I149-S174 VanDerWaalsContact O-CA 3.3Å; I149-S174 WeakPolarHBondContact O-CA 3.12Å; I149-S174 VanDerWaalsContact O-CB 3.25Å; I149-S174 WeakPolarHBondContact O-CB 3.5Å; H150-S174 PolarHBondContact O-OG 2.85Å; F171-S174 WeakPolarHBondContact CA-OG 3.43Å; F171-S174 WeakPolarHBondContact CD1-OG 3.49Å; F171-S174 WeakPolarHBondContact O-CB 3.45Å; F171-S174 PolarHBondContact O-N 3.35Å; F171-S174 PolarHBondContact O-OG 2.79Å
175A67.2Low66.1Low10 Ų1067.5 Ų67.58%0.08334%0.341CS..EExtended strand (participates in β ladder)trans-143.5152.2-179.400000114.2I148 I149 R151I148-A175 WeakPolarHBondContact CA-O 3.43Å; I149-A175 PolarHBondContact N-O 3.07Å; I149-A175 PolarHBondContact O-N 3.11Å; R151-A175 VanDerWaalsContact NH2-CB 3.32Å
176K62.9Low63.8Low51 Ų5170.8 Ų70.822%0.22237%0.365CS..EExtended strand (participates in β ladder)trans-94.3119.1172.3-72.8160.6174.4133.80109.7D78 I79 K147 I148 T178D78-K176 VanDerWaalsContact CB-NZ 3.35Å; D78-K176 PolarHBondContact O-NZ 3.14Å; I79-K176 HydrophobicContact CG1-CD 4.39Å; I79-K176 HydrophobicContact CG1-CG 4.39Å; K147-K176 CarbonylContact O-C 3.53Å; K147-K176 WeakPolarHBondContact O-CA 3.37Å; I148-K176 HydrophobicContact CG1-CG 4.12Å; K176-T178 PolarHBondContact O-N 3.01Å
177N59.3Low61.7Low70 Ų7075.5 Ų75.537%0.37439%0.386SS..THydrogen-bonded Turntrans-81.841.8-175.2-158.15.6000112.6K147 D210K147-N177 HydrophobicContact CB-CB 4.4Å; K147-N177 PolarHBondContact O-N 2.98Å; N177-D210 PolarHBondContact ND2-OD1 2.93Å; N177-D210 VanDerWaalsContact ND2-OD1 3.08Å
178T49.3Very low60Low111 Ų11176 Ų7668%0.68139%0.389SS*.THydrogen-bonded Turntrans-90.9-20.2-171.745.60000114.4K176K176-T178 PolarHBondContact O-N 3.01Å
179K43.6Very low58.4Low190 Ų19076.9 Ų76.983%0.82640%0.398SS*.SBendtrans-170.1138.7158.1-104.2147.1-172.7175.40109.9L181K179-L181 PolarHBondContact O-N 3.07Å; K179-L181 VanDerWaalsContact O-N 3.09Å
180T44.2Very low57.6Low105 Ų10578.4 Ų78.464%0.64441%0.406SS*.SBendtrans-72.995.1-178.631.30000112
181L39.2Very low57.5Low172 Ų17277.4 Ų77.490%0.90140%0.402SS*.  trans179.482.8151.7-99.6157.4000110.6K179K179-L181 PolarHBondContact O-N 3.07Å; K179-L181 VanDerWaalsContact O-N 3.09Å
182Q40.4Very low57.8Low129 Ų12979.2 Ų79.260%0.60341%0.409SS*.SBendtrans-122.9152.9160.1-73.9-176.1-49.800108.2R184Q182-R184 PolarHBondContact O-N 3.02Å
183R40.9Very low58.9Low171 Ų17179.2 Ų79.265%0.64540%0.401SS*.  trans-49.7131.4-165.8-62.6173.1-178.7142-3.3112.1D72D72-R183 IonicContact OD1-NH1 3.41Å; D72-R183 PolarHBondContact OD1-NH1 3.27Å; D72-R183 IonicContact OD2-NH1 3.23Å
184R47.6Very low59.8Low113 Ų11377.7 Ų77.743%0.42639%0.391SS..  trans-136.455.3176.6-75.4-174.9174.3179-3.8110.3Q182 Y209Q182-R184 PolarHBondContact O-N 3.02Å; R184-Y209 VanDerWaalsContact NH2-CE1 3.34Å
185D34Very low60.5Low147 Ų14777.4 Ų77.479%0.78639%0.389SS*.SBendtrans-113.1-2174-61.5-66.8000112.3
186S49.3Very low61.4Low84 Ų8477.1 Ų77.159%0.58739%0.387SS*.SBendtrans-108156.7166.152.40000110.6
187F53.2Low62.3Low99 Ų9975.8 Ų75.843%0.43438%0.381SS..  trans-84.2129.4177.1176-86.2000109.8P191 M194 E202 M238 L241F187-P191 HydrophobicContact CE1-CG 3.63Å; F187-P191 HydrophobicContact CZ-CG 3.74Å; F187-M194 HydrophobicContact CE1-SD 4.28Å; F187-M194 HydrophobicContact CE2-CE 4.41Å; F187-M194 HydrophobicContact CZ-CE 4.19Å; F187-M194 HydrophobicContact CZ-SD 3.77Å; F187-E202 WeakPolarHBondContact CD2-OE2 3.43Å; F187-E202 VanDerWaalsContact CE2-OE2 3.23Å; F187-E202 WeakPolarHBondContact CE2-OE2 3.35Å; F187-M238 HydrophobicContact CE2-CE 4.31Å; F187-M238 HydrophobicContact CZ-CE 4.25Å; F187-L241 HydrophobicContact CE2-CD1 3.59Å; F187-L241 HydrophobicContact CE2-CD2 4.28Å; F187-L241 HydrophobicContact CZ-CD1 3.78Å; F187-L241 HydrophobicContact CZ-CD2 4.02Å; F187-L241 HydrophobicContact CZ-CG 4.44Å
188I62.3Low63.2Low27 Ų2773 Ų7314%0.13837%0.367CS..  trans-121.5123.2-162.5-59.5175.5000113.1V173 M194 E202V173-I188 HydrophobicContact CB-CG2 3.95Å; V173-I188 HydrophobicContact CG1-CG2 4.35Å; I188-M194 WeakPolarHBondContact O-CE 3.45Å; I188-E202 PolarHBondContact N-OE1 2.76Å
189G61.1Low64.5Low18 Ų1868.1 Ų68.119%0.18634%0.337CS..SBendtrans97.5167.9172.700000113.9P191G189-P191 WeakPolarHBondContact O-CD 3.37Å
190T75.3Confident65.6Low39 Ų3964.3 Ų64.324%0.23932%0.323CS..  trans-85.1117.3-175.1-45.30000111.6D152 K154 Y192 W193D152-T190 WeakPolarHBondContact OD1-CB 3.47Å; D152-T190 PolarHBondContact OD1-N 3.02Å; D152-T190 PolarHBondContact OD1-OG1 3.17Å; K154-T190 PolarHBondContact NZ-OG1 3.25Å; T190-Y192 VanDerWaalsContact C-N 3.31Å; T190-Y192 PolarHBondContact O-N 3.31Å; T190-W193 HydrophobicContact CG2-CE3 3.52Å; T190-W193 HydrophobicContact CG2-CH2 4.45Å; T190-W193 HydrophobicContact CG2-CZ3 3.33Å; T190-W193 PolarHBondContact O-N 3.18Å
191P82.4Confident66.6Low16 Ų1660 Ų6010%0.10430%0.297CS..THydrogen-bonded Turntrans-57.9-24.4-161.5-36.243.2000119.4F187 G189 W193 M194 P237 L241F187-P191 HydrophobicContact CE1-CG 3.63Å; F187-P191 HydrophobicContact CZ-CG 3.74Å; G189-P191 WeakPolarHBondContact O-CD 3.37Å; P191-W193 VanDerWaalsContact C-N 3.34Å; P191-M194 HydrophobicContact CB-SD 4.35Å; P191-M194 HydrophobicContact CG-SD 4.33Å; P191-P237 HydrophobicContact CB-CB 4.05Å; P191-P237 HydrophobicContact CG-CB 3.96Å; P191-L241 HydrophobicContact CB-CD2 4.13Å
192Y88.1Confident67.5Low39 Ų3954.7 Ų54.715%0.15327%0.268CS..THydrogen-bonded Turntrans-76.4-24.4-179.5-48.6-100.8000112.1T190 P230 H232 L235 P237 V240T190-Y192 VanDerWaalsContact C-N 3.31Å; T190-Y192 PolarHBondContact O-N 3.31Å; Y192-P230 HydrophobicContact CD1-CG 4.5Å; Y192-P230 HydrophobicContact CG-CG 4.26Å; Y192-H232 VanDerWaalsContact CE1-O 3.29Å; Y192-H232 WeakPolarHBondContact CE1-O 3.41Å; Y192-L235 WeakPolarHBondContact CE1-O 3.47Å; Y192-L235 PolarHBondContact OH-O 2.68Å; Y192-P237 HydrophobicContact CE2-CG 4.23Å; Y192-P237 WeakPolarHBondContact OH-CD 3.43Å; Y192-V240 HydrophobicContact CD1-CB 4.41Å; Y192-V240 HydrophobicContact CD1-CG1 3.93Å; Y192-V240 HydrophobicContact CD1-CG2 3.68Å; Y192-V240 HydrophobicContact CE1-CB 4.45Å; Y192-V240 HydrophobicContact CE1-CG1 4.45Å; Y192-V240 HydrophobicContact CE1-CG2 3.35Å; Y192-V240 HydrophobicContact CG-CG1 4.3Å
193W92.8Very high68.1Low26 Ų2653.5 Ų53.510%0.09827%0.269CS..THydrogen-bonded Turntrans-99.7-5.1-179.5-62.1-103.6000113.4K154 T190 P191 S217 I220 E224 P230K154-W193 HydrophobicContact CB-CD2 3.96Å; K154-W193 HydrophobicContact CB-CG 4.23Å; K154-W193 HydrophobicContact CB-CZ2 3.86Å; T190-W193 HydrophobicContact CG2-CE3 3.52Å; T190-W193 HydrophobicContact CG2-CH2 4.45Å; T190-W193 HydrophobicContact CG2-CZ3 3.33Å; T190-W193 PolarHBondContact O-N 3.18Å; P191-W193 VanDerWaalsContact C-N 3.34Å; W193-S217 WeakPolarHBondContact O-CA 3.37Å; W193-S217 WeakPolarHBondContact O-CB 3.4Å; W193-S217 PolarHBondContact O-OG 2.92Å; W193-I220 HydrophobicContact CB-CG2 4.37Å; W193-I220 VanDerWaalsContact CD1-CG2 3.49Å; W193-I220 HydrophobicContact CD2-CG2 4.47Å; W193-I220 HydrophobicContact CG-CB 4.38Å; W193-I220 HydrophobicContact CG-CG2 3.86Å; W193-E224 HydrophobicContact CZ2-CG 4.44Å; W193-E224 WeakPolarHBondContact CZ2-OE1 3.43Å; W193-E224 PolarHBondContact NE1-OE2 3.19Å; W193-P230 HydrophobicContact CH2-CB 4.26Å; W193-P230 HydrophobicContact CH2-CG 3.66Å; W193-P230 HydrophobicContact CZ2-CB 3.86Å; W193-P230 HydrophobicContact CZ2-CG 3.7Å; W193-P230 HydrophobicContact CZ3-CG 4.26Å
194M88.8Confident68.2Low8 Ų852.1 Ų52.14%0.03927%0.272CS..  trans-69.1137.5-178.4-67.9175.479.100112.3F187 I188 P191 V198 V199 E202 W216 L241F187-M194 HydrophobicContact CE1-SD 4.28Å; F187-M194 HydrophobicContact CE2-CE 4.41Å; F187-M194 HydrophobicContact CZ-CE 4.19Å; F187-M194 HydrophobicContact CZ-SD 3.77Å; I188-M194 WeakPolarHBondContact O-CE 3.45Å; P191-M194 HydrophobicContact CB-SD 4.35Å; P191-M194 HydrophobicContact CG-SD 4.33Å; M194-V198 HydrophobicContact CE-CG1 3.73Å; M194-V199 HydrophobicContact CB-CG2 3.96Å; M194-V199 HydrophobicContact CE-CG2 4.45Å; M194-E202 WeakPolarHBondContact CE-OE2 3.49Å; M194-W216 PolarHBondContact O-NE1 3.27Å; M194-W216 VanDerWaalsContact O-NE1 3.12Å; M194-L241 HydrophobicContact SD-CD2 3.88Å
195A87.6Confident67.9Low0 Ų055.3 Ų55.30%029%0.289CS..  trans-75.2149.117600000112E197 V198 V199 A213 W216A195-E197 VanDerWaalsContact CB-CD 3.5Å; A195-E197 VanDerWaalsContact CB-OE1 3.27Å; A195-E197 WeakPolarHBondContact CB-OE1 3.21Å; A195-E197 WeakPolarHBondContact CB-OE2 3.47Å; A195-E197 PolarHBondContact O-N 2.86Å; A195-V198 HydrophobicContact CB-CG2 4.14Å; A195-V198 WeakPolarHBondContact O-CB 3.39Å; A195-V198 PolarHBondContact O-N 2.87Å; A195-V199 PolarHBondContact O-N 3.14Å; A195-A213 HydrophobicContact CB-CB 4.34Å; A195-W216 VanDerWaalsContact CA-CD1 3.44Å; A195-W216 HydrophobicContact CB-CB 3.68Å; A195-W216 HydrophobicContact CB-CD2 4.34Å; A195-W216 HydrophobicContact CB-CG 3.69Å
196P86.7Confident68.3Low5 Ų556 Ų563%0.03229%0.293CS..Hα-helixtrans-55.7-38.7-176.5-24.833.2000113.1V198 V199 M200 W216 V244 K272P196-V198 PolarHBondContact O-N 3.03Å; P196-V199 PolarHBondContact O-N 3.35Å; P196-M200 VanDerWaalsContact O-CG 3.29Å; P196-M200 WeakPolarHBondContact O-CG 3.22Å; P196-M200 PolarHBondContact O-N 2.87Å; P196-W216 HydrophobicContact CG-CD2 4.44Å; P196-W216 HydrophobicContact CG-CE3 4.16Å; P196-W216 HydrophobicContact CG-CH2 3.6Å; P196-W216 HydrophobicContact CG-CZ2 3.89Å; P196-W216 HydrophobicContact CG-CZ3 3.73Å; P196-V244 HydrophobicContact CB-CG1 4.29Å; P196-V244 HydrophobicContact CG-CG1 3.87Å; P196-K272 HydrophobicContact CG-CB 4.33Å; P196-K272 HydrophobicContact CG-CG 4.23Å
197E83.1Confident68.1Low23 Ų2354.3 Ų54.311%0.10728%0.283CS..Hα-helixtrans-65.4-35.8177.170.3-78.2-175.200112.5A195 M200 C201 P274 R277A195-E197 VanDerWaalsContact CB-CD 3.5Å; A195-E197 VanDerWaalsContact CB-OE1 3.27Å; A195-E197 WeakPolarHBondContact CB-OE1 3.21Å; A195-E197 WeakPolarHBondContact CB-OE2 3.47Å; A195-E197 PolarHBondContact O-N 2.86Å; E197-M200 PolarHBondContact O-N 3.05Å; E197-C201 WeakPolarHBondContact O-CB 3.46Å; E197-C201 PolarHBondContact O-N 3.32Å; E197-C201 PolarHBondContact O-SG 3.08Å; E197-P274 HydrophobicContact CB-CG 4.38Å; E197-P274 HydrophobicContact CG-CB 4.36Å; E197-P274 HydrophobicContact CG-CG 4.23Å; E197-R277 IonicContact OE1-CZ 3.37Å; E197-R277 IonicContact OE1-NH1 2.68Å; E197-R277 PolarHBondContact OE1-NH1 3.37Å; E197-R277 IonicContact OE1-NH2 2.88Å; E197-R277 IonicContact OE2-CZ 2.58Å; E197-R277 IonicContact OE2-NH1 3.12Å; E197-R277 IonicContact OE2-NH2 2.74Å; E197-R277 PolarHBondContact OE2-NH2 2.85Å
198V78.1Confident68.2Low12 Ų1254.3 Ų54.37%0.07329%0.294CS..Hα-helixtrans-66.2-45.3177.2-176.40000110.2M194 A195 P196 M200 C201 E202 Y209 A213M194-V198 HydrophobicContact CE-CG1 3.73Å; A195-V198 HydrophobicContact CB-CG2 4.14Å; A195-V198 WeakPolarHBondContact O-CB 3.39Å; A195-V198 PolarHBondContact O-N 2.87Å; P196-V198 PolarHBondContact O-N 3.03Å; V198-M200 PolarHBondContact O-N 3.36Å; V198-C201 PolarHBondContact O-N 3.27Å; V198-C201 VanDerWaalsContact O-N 3.09Å; V198-E202 PolarHBondContact O-N 3.19Å; V198-Y209 HydrophobicContact CG1-CD1 4.32Å; V198-Y209 HydrophobicContact CG1-CE1 4.16Å; V198-Y209 HydrophobicContact CG2-CD1 4.27Å; V198-Y209 HydrophobicContact CG2-CD2 4.1Å; V198-Y209 HydrophobicContact CG2-CG 3.92Å; V198-A213 HydrophobicContact CG2-CB 3.79Å
199V74.9Confident68.2Low8 Ų853.9 Ų53.95%0.04829%0.29CS..Hα-helixtrans-58.7-36.8175.1-179.40000111.7M194 A195 P196 T203 L241M194-V199 HydrophobicContact CB-CG2 3.96Å; M194-V199 HydrophobicContact CE-CG2 4.45Å; A195-V199 PolarHBondContact O-N 3.14Å; P196-V199 PolarHBondContact O-N 3.35Å; V199-T203 PolarHBondContact O-N 2.89Å; V199-T203 PolarHBondContact O-OG1 2.67Å; V199-L241 HydrophobicContact CB-CD2 4.39Å; V199-L241 HydrophobicContact CG1-CB 3.8Å; V199-L241 HydrophobicContact CG1-CD2 3.93Å; V199-L241 HydrophobicContact CG1-CG 4.4Å; V199-L241 HydrophobicContact CG2-CD2 3.65Å
200M67.9Low68.7Low110 Ų11056 Ų5654%0.54230%0.297SS..Hα-helixtrans-74.6-34.3175.7-67176.280.900112.5P196 E197 V198 T203 M204P196-M200 VanDerWaalsContact O-CG 3.29Å; P196-M200 WeakPolarHBondContact O-CG 3.22Å; P196-M200 PolarHBondContact O-N 2.87Å; E197-M200 PolarHBondContact O-N 3.05Å; V198-M200 PolarHBondContact O-N 3.36Å; M200-T203 PolarHBondContact O-N 3.26Å; M200-T203 PolarHBondContact O-OG1 3.47Å; M200-M204 PolarHBondContact O-N 2.86Å
201C65.1Low69.1Low14 Ų1457.5 Ų57.510%0.09530%0.299CS..Hα-helixtrans-69.5-35.1176.4-65.90000113.4E197 V198 T203 M204 A207 Y209E197-C201 WeakPolarHBondContact O-CB 3.46Å; E197-C201 PolarHBondContact O-N 3.32Å; E197-C201 PolarHBondContact O-SG 3.08Å; V198-C201 PolarHBondContact O-N 3.27Å; V198-C201 VanDerWaalsContact O-N 3.09Å; C201-T203 VanDerWaalsContact C-N 3.29Å; C201-M204 CarbonylContact C-O 3.55Å; C201-M204 WeakPolarHBondContact CA-O 3.28Å; C201-M204 CarbonylContact O-C 3.53Å; C201-A207 VanDerWaalsContact SG-CB 3.54Å; C201-A207 PolarHBondContact SG-O 3.19Å; C201-Y209 HydrophobicContact CB-CD1 3.83Å; C201-Y209 HydrophobicContact CB-CE1 4.4Å
202E58.5Low69.4Low60 Ų6057.7 Ų57.728%0.2830%0.298SS..Hα-helixtrans-76-19.9176.1-66.8-164.5152.900112.8F187 I188 M194 V198F187-E202 WeakPolarHBondContact CD2-OE2 3.43Å; F187-E202 VanDerWaalsContact CE2-OE2 3.23Å; F187-E202 WeakPolarHBondContact CE2-OE2 3.35Å; I188-E202 PolarHBondContact N-OE1 2.76Å; M194-E202 WeakPolarHBondContact CE-OE2 3.49Å; V198-E202 PolarHBondContact O-N 3.19Å
203T51.9Low69.5Low104 Ų10456 Ų5664%0.63829%0.293SS*.Hα-helixtrans-99.9-17.1176.552.90000114V199 M200 C201V199-T203 PolarHBondContact O-N 2.89Å; V199-T203 PolarHBondContact O-OG1 2.67Å; M200-T203 PolarHBondContact O-N 3.26Å; M200-T203 PolarHBondContact O-OG1 3.47Å; C201-T203 VanDerWaalsContact C-N 3.29Å
204M42.8Very low69.5Low143 Ų14354.8 Ų54.870%0.70429%0.288SS*.SBendtrans-143.1121.8175.8-61.4-171.1178.400110.7M200 C201 D206M200-M204 PolarHBondContact O-N 2.86Å; C201-M204 CarbonylContact C-O 3.55Å; C201-M204 WeakPolarHBondContact CA-O 3.28Å; C201-M204 CarbonylContact O-C 3.53Å; M204-D206 PolarHBondContact O-N 2.93Å; M204-D206 VanDerWaalsContact O-N 3.17Å
205K42.3Very low69.9Low179 Ų17954.4 Ų54.478%0.77829%0.286SS*.THydrogen-bonded Turntrans-72.6-11.6-156.3-69.5-163.4171-162.80117.5
206D42Very low70.3Confident163 Ų16354.6 Ų54.687%0.87229%0.287SS*.THydrogen-bonded Turntrans-103.211.6-158.5-58.8-58.1000115.9M204M204-D206 PolarHBondContact O-N 2.93Å; M204-D206 VanDerWaalsContact O-N 3.17Å
207A45.2Very low70.8Confident47 Ų4754.6 Ų54.639%0.38829%0.287SS..  trans-113.3130.8176.900000112.7C201C201-A207 VanDerWaalsContact SG-CB 3.54Å; C201-A207 PolarHBondContact SG-O 3.19Å
208P54.3Low71.5Confident100 Ų10053.5 Ų53.565%0.64928%0.282SS*.  trans-90.5110.6168.432.7-29000110.8
209Y63.9Low72.4Confident18 Ų1852.9 Ų52.97%0.07128%0.278CS..  trans-73.1147.7165.563.4-99.2000111.3R151 R184 V198 C201R151-Y209 VanDerWaalsContact CZ-OH 3.26Å; R151-Y209 PolarHBondContact NE-OH 2.83Å; R151-Y209 PolarHBondContact NH2-OH 3.29Å; R184-Y209 VanDerWaalsContact NH2-CE1 3.34Å; V198-Y209 HydrophobicContact CG1-CD1 4.32Å; V198-Y209 HydrophobicContact CG1-CE1 4.16Å; V198-Y209 HydrophobicContact CG2-CD1 4.27Å; V198-Y209 HydrophobicContact CG2-CD2 4.1Å; V198-Y209 HydrophobicContact CG2-CG 3.92Å; C201-Y209 HydrophobicContact CB-CD1 3.83Å; C201-Y209 HydrophobicContact CB-CE1 4.4Å
210D70.3Confident73.5Confident61 Ų6152.7 Ų52.733%0.32628%0.277SS..  trans-127.5-174.1-174.1-158.86.5000111.6N177 K212 A213N177-D210 PolarHBondContact ND2-OD1 2.93Å; N177-D210 VanDerWaalsContact ND2-OD1 3.08Å; D210-K212 PolarHBondContact O-N 2.78Å; D210-A213 WeakPolarHBondContact O-CB 3.42Å; D210-A213 PolarHBondContact O-N 3.29Å
211Y83.4Confident74.9Confident71 Ų7147.4 Ų47.428%0.27825%0.251SS..THydrogen-bonded Turntrans-51.7-17.2-177.161.1-94.6000115.9H144 A213 D214H144-Y211 HydrophobicContact CB-CG 4.38Å; H144-Y211 PolarHBondContact CE1-O 2.85Å; H144-Y211 AromaticContact ND1-CD2 3.88Å; Y211-A213 PolarHBondContact O-N 3.48Å; Y211-D214 PolarHBondContact O-N 2.85Å
212K89.8Confident76.5Confident21 Ų2146.8 Ų46.89%0.09125%0.246CC..Hα-helixtrans-60.5-24.3171.6-61.1-67.7-167.579.30113D210 I215 P274 E275 R277D210-K212 PolarHBondContact O-N 2.78Å; K212-I215 WeakPolarHBondContact O-CB 3.44Å; K212-I215 PolarHBondContact O-N 3.18Å; K212-P274 HydrophobicContact CB-CB 4.01Å; K212-P274 WeakPolarHBondContact CD-O 3.42Å; K212-P274 HydrophobicContact CG-CB 4.46Å; K212-P274 WeakPolarHBondContact CG-O 3.3Å; K212-P274 PolarHBondContact NZ-O 2.87Å; K212-E275 PolarHBondContact NZ-O 3.4Å; K212-R277 WeakPolarHBondContact CD-O 3.45Å; K212-R277 VanDerWaalsContact CE-O 3.27Å; K212-R277 WeakPolarHBondContact CE-O 3.47Å; K212-R277 PolarHBondContact NZ-O 3.35Å; K212-R277 WeakPolarHBondContact O-CD 3.34Å; K212-R277 PolarHBondContact O-NH1 3.02Å
213A90.1Very high78.4Confident4 Ų444 Ų443%0.03323%0.233CC..Hα-helixtrans-60.3-45.1177.600000112.1A195 V198 D210 Y211 I215 W216 S217A195-A213 HydrophobicContact CB-CB 4.34Å; V198-A213 HydrophobicContact CG2-CB 3.79Å; D210-A213 WeakPolarHBondContact O-CB 3.42Å; D210-A213 PolarHBondContact O-N 3.29Å; Y211-A213 PolarHBondContact O-N 3.48Å; A213-I215 PolarHBondContact O-N 2.97Å; A213-I215 VanDerWaalsContact O-N 3.15Å; A213-W216 WeakPolarHBondContact O-CB 3.41Å; A213-W216 PolarHBondContact O-N 3.47Å; A213-S217 PolarHBondContact O-N 3.42Å; A213-S217 VanDerWaalsContact O-N 3.14Å; A213-S217 PolarHBondContact O-OG 3.25Å
214D93.4Very high80.6Confident0 Ų039.6 Ų39.60%021%0.206CC..Hα-helixtrans-58.4-29.6177.4-69.2-20.3000112.3L140 H144 I149 H150 R151 L153 Y211 S217 L218L140-D214 HydrophobicContact CD2-CB 4.1Å; H144-D214 IonicContact CD2-OD2 3.3Å; H144-D214 IonicContact CE1-OD2 3.14Å; H144-D214 IonicContact NE2-OD2 2.86Å; H144-D214 PolarHBondContact NE2-OD2 2.76Å; I149-D214 WeakPolarHBondContact CG2-OD1 3.44Å; I149-D214 WeakPolarHBondContact CG2-OD2 3.4Å; H150-D214 PolarHBondContact N-OD1 3.02Å; H150-D214 PolarHBondContact N-OD2 3.15Å; R151-D214 PolarHBondContact N-OD1 3.23Å; L153-D214 HydrophobicContact CD1-CB 3.85Å; L153-D214 VanDerWaalsContact CD1-O 3.3Å; L153-D214 WeakPolarHBondContact CD1-O 3.2Å; Y211-D214 PolarHBondContact O-N 2.85Å; D214-S217 PolarHBondContact O-N 2.84Å; D214-L218 WeakPolarHBondContact O-CB 3.4Å; D214-L218 PolarHBondContact O-N 2.93Å
215I96.9Very high83.2Confident0 Ų032.8 Ų32.80%017%0.172CC..Hα-helixtrans-70.8-34.1178.9-53.8-59000111.7K212 A213 G219 A269 R277 A280 L283K212-I215 WeakPolarHBondContact O-CB 3.44Å; K212-I215 PolarHBondContact O-N 3.18Å; A213-I215 PolarHBondContact O-N 2.97Å; A213-I215 VanDerWaalsContact O-N 3.15Å; I215-G219 PolarHBondContact O-N 2.69Å; I215-G219 VanDerWaalsContact O-N 3.09Å; I215-A269 HydrophobicContact CG2-CB 4.34Å; I215-R277 HydrophobicContact CB-CG 4.36Å; I215-R277 HydrophobicContact CG2-CG 4Å; I215-A280 HydrophobicContact CD1-CB 4Å; I215-L283 HydrophobicContact CG2-CD1 3.51Å
216W96.2Very high85.7Confident3 Ų324.7 Ų24.71%0.01114%0.138CC..Hα-helixtrans-70-46.5171.4174.3-76.2000110.7M194 A195 P196 A213 L218 G219 I220 V244 P249 L270 K272M194-W216 PolarHBondContact O-NE1 3.27Å; M194-W216 VanDerWaalsContact O-NE1 3.12Å; A195-W216 VanDerWaalsContact CA-CD1 3.44Å; A195-W216 HydrophobicContact CB-CB 3.68Å; A195-W216 HydrophobicContact CB-CD2 4.34Å; A195-W216 HydrophobicContact CB-CG 3.69Å; P196-W216 HydrophobicContact CG-CD2 4.44Å; P196-W216 HydrophobicContact CG-CE3 4.16Å; P196-W216 HydrophobicContact CG-CH2 3.6Å; P196-W216 HydrophobicContact CG-CZ2 3.89Å; P196-W216 HydrophobicContact CG-CZ3 3.73Å; A213-W216 WeakPolarHBondContact O-CB 3.41Å; A213-W216 PolarHBondContact O-N 3.47Å; W216-L218 VanDerWaalsContact C-N 3.28Å; W216-L218 PolarHBondContact O-N 3.42Å; W216-G219 CarbonylContact O-C 3.42Å; W216-G219 VanDerWaalsContact O-CA 3.32Å; W216-G219 WeakPolarHBondContact O-CA 3.21Å; W216-G219 PolarHBondContact O-N 2.78Å; W216-I220 PolarHBondContact O-N 2.94Å; W216-V244 HydrophobicContact CZ2-CG1 4.16Å; W216-P249 HydrophobicContact CH2-CB 4.46Å; W216-L270 HydrophobicContact CD2-CD2 3.7Å; W216-L270 HydrophobicContact CE3-CB 4.25Å; W216-L270 HydrophobicContact CE3-CD2 3.99Å; W216-L270 HydrophobicContact CG-CD2 4.05Å; W216-L270 HydrophobicContact CZ2-CD2 4.28Å; W216-L270 HydrophobicContact CZ3-CB 4.15Å; W216-L270 HydrophobicContact CZ3-CD2 4.4Å; W216-L270 WeakPolarHBondContact CZ3-O 3.29Å; W216-K272 HydrophobicContact CH2-CG 4.22Å; W216-K272 HydrophobicContact CZ3-CG 4Å
217S96.1Very high88.2Confident5 Ų519.8 Ų19.84%0.03511%0.11CC..Hα-helixtrans-62-35.5178.8-52.80000112.1W193 A213 D214 I220 T221W193-S217 WeakPolarHBondContact O-CA 3.37Å; W193-S217 WeakPolarHBondContact O-CB 3.4Å; W193-S217 PolarHBondContact O-OG 2.92Å; A213-S217 PolarHBondContact O-N 3.42Å; A213-S217 VanDerWaalsContact O-N 3.14Å; A213-S217 PolarHBondContact O-OG 3.25Å; D214-S217 PolarHBondContact O-N 2.84Å; S217-I220 PolarHBondContact O-N 3.48Å; S217-T221 WeakPolarHBondContact O-CB 3.27Å; S217-T221 PolarHBondContact O-N 3.31Å; S217-T221 PolarHBondContact O-OG1 2.8Å
218L97.9Very high90.4Very high0 Ų020.9 Ų20.90%011%0.109CC..Hα-helixtrans-58.7-48.7165.9172.765000111.4M136 L137 L140 L153 D214 W216 I220 T221 L222 F265M136-L218 HydrophobicContact CB-CD1 4Å; M136-L218 HydrophobicContact CE-CD1 3.76Å; M136-L218 HydrophobicContact CG-CD1 4.44Å; M136-L218 HydrophobicContact SD-CD1 3.58Å; M136-L218 VanDerWaalsContact SD-CD1 3.58Å; L137-L218 HydrophobicContact CD2-CD2 3.51Å; L137-L218 HydrophobicContact CG-CD2 3.94Å; L140-L218 HydrophobicContact CD1-CB 4.4Å; L140-L218 HydrophobicContact CD1-CD2 4.26Å; L153-L218 HydrophobicContact CD1-CB 4.5Å; D214-L218 WeakPolarHBondContact O-CB 3.4Å; D214-L218 PolarHBondContact O-N 2.93Å; W216-L218 VanDerWaalsContact C-N 3.28Å; W216-L218 PolarHBondContact O-N 3.42Å; L218-I220 VanDerWaalsContact C-N 3.29Å; L218-I220 PolarHBondContact O-N 3.32Å; L218-T221 WeakPolarHBondContact O-CB 3.37Å; L218-T221 PolarHBondContact O-N 3.43Å; L218-T221 VanDerWaalsContact O-N 3.12Å; L218-L222 HydrophobicContact CD1-CD1 4.15Å; L218-L222 HydrophobicContact CD1-CD2 4.38Å; L218-L222 HydrophobicContact CD1-CG 4.08Å; L218-L222 HydrophobicContact CG-CD1 4.09Å; L218-L222 HydrophobicContact CG-CG 4.44Å; L218-L222 VanDerWaalsContact O-CG 3.27Å; L218-L222 WeakPolarHBondContact O-CG 3.4Å; L218-L222 PolarHBondContact O-N 3.3Å; L218-F265 HydrophobicContact CD2-CZ 4.47Å
219G97.9Very high92.1Very high0 Ų020.7 Ų20.70%010%0.099CC..Hα-helixtrans-55.4-40.9175.900000113.4I215 W216 I223 L266I215-G219 PolarHBondContact O-N 2.69Å; I215-G219 VanDerWaalsContact O-N 3.09Å; W216-G219 CarbonylContact O-C 3.42Å; W216-G219 VanDerWaalsContact O-CA 3.32Å; W216-G219 WeakPolarHBondContact O-CA 3.21Å; W216-G219 PolarHBondContact O-N 2.78Å; G219-I223 PolarHBondContact O-N 2.81Å; G219-L266 WeakPolarHBondContact O-CD2 3.34Å
220I97.9Very high93.5Very high3 Ų320.2 Ų20.22%0.01510%0.098CC..Hα-helixtrans-68.5-44.5173.6-58.8-61.1000111.4W193 W216 S217 L218 L222 I223 E224 P230 P231 P250 L270W193-I220 HydrophobicContact CB-CG2 4.37Å; W193-I220 VanDerWaalsContact CD1-CG2 3.49Å; W193-I220 HydrophobicContact CD2-CG2 4.47Å; W193-I220 HydrophobicContact CG-CB 4.38Å; W193-I220 HydrophobicContact CG-CG2 3.86Å; W216-I220 PolarHBondContact O-N 2.94Å; S217-I220 PolarHBondContact O-N 3.48Å; L218-I220 VanDerWaalsContact C-N 3.29Å; L218-I220 PolarHBondContact O-N 3.32Å; I220-L222 PolarHBondContact O-N 2.89Å; I220-I223 WeakPolarHBondContact O-CA 3.26Å; I220-I223 WeakPolarHBondContact O-CB 3.41Å; I220-I223 PolarHBondContact O-N 2.9Å; I220-E224 PolarHBondContact O-N 3.16Å; I220-P230 HydrophobicContact CG2-CB 4.13Å; I220-P231 HydrophobicContact CD1-CG 4.19Å; I220-P250 HydrophobicContact CD1-CG 3.58Å; I220-L270 HydrophobicContact CD1-CD2 3.68Å; I220-L270 HydrophobicContact CG1-CD2 3.97Å
221T97.9Very high94.5Very high0 Ų018.3 Ų18.30%09%0.089CC..Hα-helixtrans-57.3-37.5176.8-53.50000111.1M136 L153 S217 L218 I223 E224 L225M136-T221 HydrophobicContact CE-CG2 4.22Å; M136-T221 HydrophobicContact SD-CG2 4.45Å; L153-T221 PolarHBondContact O-OG1 3.47Å; S217-T221 WeakPolarHBondContact O-CB 3.27Å; S217-T221 PolarHBondContact O-N 3.31Å; S217-T221 PolarHBondContact O-OG1 2.8Å; L218-T221 WeakPolarHBondContact O-CB 3.37Å; L218-T221 PolarHBondContact O-N 3.43Å; L218-T221 VanDerWaalsContact O-N 3.12Å; T221-I223 VanDerWaalsContact C-N 3.33Å; T221-I223 PolarHBondContact O-N 3.16Å; T221-E224 WeakPolarHBondContact CA-OE2 3.43Å; T221-E224 WeakPolarHBondContact O-CB 3.33Å; T221-E224 PolarHBondContact O-N 3.22Å; T221-L225 HydrophobicContact CG2-CG 4.41Å; T221-L225 VanDerWaalsContact O-CG 3.27Å; T221-L225 WeakPolarHBondContact O-CG 3.25Å; T221-L225 PolarHBondContact O-N 2.86Å
222L98.3Very high94.7Very high0 Ų017.4 Ų17.40%09%0.088CC..Hα-helixtrans-71.2-25.7177.6-64.5169.8000113.2I129 C133 L218 I220 L225 A226 F262 F265 L266I129-L222 HydrophobicContact CG2-CD2 3.64Å; C133-L222 HydrophobicContact CB-CD1 4.4Å; C133-L222 HydrophobicContact CB-CD2 3.66Å; L218-L222 HydrophobicContact CD1-CD1 4.15Å; L218-L222 HydrophobicContact CD1-CD2 4.38Å; L218-L222 HydrophobicContact CD1-CG 4.08Å; L218-L222 HydrophobicContact CG-CD1 4.09Å; L218-L222 HydrophobicContact CG-CG 4.44Å; L218-L222 VanDerWaalsContact O-CG 3.27Å; L218-L222 WeakPolarHBondContact O-CG 3.4Å; L218-L222 PolarHBondContact O-N 3.3Å; I220-L222 PolarHBondContact O-N 2.89Å; L222-L225 HydrophobicContact CD2-CD1 4.46Å; L222-A226 WeakPolarHBondContact O-CB 3.44Å; L222-A226 PolarHBondContact O-N 3.4Å; L222-F262 HydrophobicContact CB-CE2 4.09Å; L222-F262 HydrophobicContact CB-CZ 4.39Å; L222-F265 HydrophobicContact CD1-CD1 3.82Å; L222-F265 HydrophobicContact CD1-CE1 3.4Å; L222-F265 HydrophobicContact CD1-CZ 4.33Å; L222-L266 HydrophobicContact CB-CD2 3.75Å; L222-L266 HydrophobicContact CD1-CD2 4.33Å
223I97.7Very high94.5Very high2 Ų220.9 Ų20.91%0.0110%0.104CC..Hα-helixtrans-73.6-46.4169.6-66.5171.7000110.1G219 I220 T221 L225 A226 Q227 P231 P250 L252 L266 L270G219-I223 PolarHBondContact O-N 2.81Å; I220-I223 WeakPolarHBondContact O-CA 3.26Å; I220-I223 WeakPolarHBondContact O-CB 3.41Å; I220-I223 PolarHBondContact O-N 2.9Å; T221-I223 VanDerWaalsContact C-N 3.33Å; T221-I223 PolarHBondContact O-N 3.16Å; I223-L225 VanDerWaalsContact C-N 3.35Å; I223-L225 PolarHBondContact O-N 2.9Å; I223-A226 CarbonylContact O-C 3.57Å; I223-A226 WeakPolarHBondContact O-CA 3.35Å; I223-A226 WeakPolarHBondContact O-CB 3.44Å; I223-A226 PolarHBondContact O-N 3.26Å; I223-Q227 HydrophobicContact CG2-CG 4.29Å; I223-Q227 WeakPolarHBondContact O-CB 3.48Å; I223-Q227 WeakPolarHBondContact O-CG 3.31Å; I223-Q227 PolarHBondContact O-N 3.47Å; I223-P231 HydrophobicContact CB-CG 4.38Å; I223-P231 HydrophobicContact CD1-CG 4.06Å; I223-P231 HydrophobicContact CG2-CG 3.89Å; I223-P250 HydrophobicContact CD1-CB 4.34Å; I223-P250 HydrophobicContact CD1-CG 4.36Å; I223-L252 HydrophobicContact CB-CD2 4.27Å; I223-L252 HydrophobicContact CG1-CD2 3.95Å; I223-L252 HydrophobicContact CG2-CD2 4.12Å; I223-L266 HydrophobicContact CG1-CD1 4Å; I223-L266 HydrophobicContact CG1-CD2 4.12Å; I223-L270 HydrophobicContact CD1-CD1 3.72Å
224E97.3Very high94.2Very high12 Ų1226.3 Ų26.36%0.05613%0.128CC..Hα-helixtrans-52.8-48.8172.6172.2-167.2-166.200111.3M117 A155 W193 I220 T221 A226 Q227 I228M117-E224 HydrophobicContact CE-CG 4.45Å; A155-E224 HydrophobicContact CB-CG 3.99Å; A155-E224 WeakPolarHBondContact CB-OE1 3.41Å; A155-E224 PolarHBondContact N-OE1 3.46Å; A155-E224 PolarHBondContact N-OE2 2.97Å; W193-E224 HydrophobicContact CZ2-CG 4.44Å; W193-E224 WeakPolarHBondContact CZ2-OE1 3.43Å; W193-E224 PolarHBondContact NE1-OE2 3.19Å; I220-E224 PolarHBondContact O-N 3.16Å; T221-E224 WeakPolarHBondContact CA-OE2 3.43Å; T221-E224 WeakPolarHBondContact O-CB 3.33Å; T221-E224 PolarHBondContact O-N 3.22Å; E224-A226 PolarHBondContact O-N 3.41Å; E224-Q227 PolarHBondContact O-N 3.35Å; E224-I228 CarbonylContact O-C 3.35Å; E224-I228 WeakPolarHBondContact O-CA 3.37Å; E224-I228 PolarHBondContact O-N 2.97Å
225L97.3Very high93.6Very high0 Ų028.5 Ų28.50%014%0.14CC..Hα-helixtrans-62.2-28.6175.3-67.4-177.3000114V113 M117 L124 I129 V132 A155 T221 L222 I223V113-L225 HydrophobicContact CB-CD2 4.14Å; V113-L225 HydrophobicContact CG1-CD2 3.32Å; M117-L225 HydrophobicContact CE-CD2 4.05Å; M117-L225 HydrophobicContact SD-CD2 4.2Å; L124-L225 HydrophobicContact CD1-CD2 4.5Å; L124-L225 HydrophobicContact CD2-CD1 4.42Å; L124-L225 HydrophobicContact CD2-CD2 4.27Å; L124-L225 PolarHBondContact N-O 2.65Å; I129-L225 HydrophobicContact CD1-CB 4.41Å; I129-L225 HydrophobicContact CG1-CB 4.17Å; V132-L225 HydrophobicContact CB-CD1 4.18Å; V132-L225 HydrophobicContact CG1-CD1 3.71Å; A155-L225 HydrophobicContact CB-CD2 3.64Å; T221-L225 HydrophobicContact CG2-CG 4.41Å; T221-L225 VanDerWaalsContact O-CG 3.27Å; T221-L225 WeakPolarHBondContact O-CG 3.25Å; T221-L225 PolarHBondContact O-N 2.86Å; L222-L225 HydrophobicContact CD2-CD1 4.46Å; I223-L225 VanDerWaalsContact C-N 3.35Å; I223-L225 PolarHBondContact O-N 2.9Å
226A96.6Very high92.6Very high8 Ų833.3 Ų33.37%0.06617%0.166CC..Hα-helixtrans-84.2-23178.300000113.4I129 L222 I223 E224 L252 W258 F262I129-A226 HydrophobicContact CD1-CB 3.84Å; L222-A226 WeakPolarHBondContact O-CB 3.44Å; L222-A226 PolarHBondContact O-N 3.4Å; I223-A226 CarbonylContact O-C 3.57Å; I223-A226 WeakPolarHBondContact O-CA 3.35Å; I223-A226 WeakPolarHBondContact O-CB 3.44Å; I223-A226 PolarHBondContact O-N 3.26Å; E224-A226 PolarHBondContact O-N 3.41Å; A226-L252 HydrophobicContact CB-CD2 3.7Å; A226-W258 HydrophobicContact CB-CH2 3.73Å; A226-W258 HydrophobicContact CB-CZ2 3.6Å; A226-W258 HydrophobicContact CB-CZ3 4.49Å; A226-W258 WeakPolarHBondContact O-CZ2 3.3Å; A226-F262 HydrophobicContact CB-CE1 4.18Å; A226-F262 HydrophobicContact CB-CZ 4.27Å
227Q93.6Very high91.8Very high61 Ų6135.2 Ų35.229%0.28518%0.179SC..Hα-helixtrans-131.23.6-166.2-58.3-153.6-122.600114.9I223 E224 E229 L252 D253I223-Q227 HydrophobicContact CG2-CG 4.29Å; I223-Q227 WeakPolarHBondContact O-CB 3.48Å; I223-Q227 WeakPolarHBondContact O-CG 3.31Å; I223-Q227 PolarHBondContact O-N 3.47Å; E224-Q227 PolarHBondContact O-N 3.35Å; Q227-E229 PolarHBondContact O-N 3Å; Q227-L252 HydrophobicContact CG-CD2 4.11Å; Q227-L252 VanDerWaalsContact OE1-CA 3.31Å; Q227-D253 PolarHBondContact NE2-OD2 2.98Å
228I91.3Very high90.9Very high70 Ų7040 Ų4036%0.35920%0.202SC..SBendtrans69-45.5-171.7-49.7175000113.1E224E224-I228 CarbonylContact O-C 3.35Å; E224-I228 WeakPolarHBondContact O-CA 3.37Å; E224-I228 PolarHBondContact O-N 2.97Å
229E91.1Very high90.2Very high96 Ų9648.3 Ų48.345%0.44923%0.233SC..SBendtrans-108.2151.6-178.4-66.2-74.6173.100111.9Q227 H233Q227-E229 PolarHBondContact O-N 3Å; E229-H233 HydrophobicContact CB-CB 4.18Å; E229-H233 WeakPolarHBondContact CB-ND1 3.44Å; E229-H233 IonicContact OE2-CG 2.67Å
230P92.4Very high89.6Confident7 Ų748.3 Ų48.35%0.04523%0.233CC..  trans-72.1164.4172.733.8-38.5000112.1Y192 W193 I220 H232 H233Y192-P230 HydrophobicContact CD1-CG 4.5Å; Y192-P230 HydrophobicContact CG-CG 4.26Å; W193-P230 HydrophobicContact CH2-CB 4.26Å; W193-P230 HydrophobicContact CH2-CG 3.66Å; W193-P230 HydrophobicContact CZ2-CB 3.86Å; W193-P230 HydrophobicContact CZ2-CG 3.7Å; W193-P230 HydrophobicContact CZ3-CG 4.26Å; I220-P230 HydrophobicContact CG2-CB 4.13Å; P230-H232 PolarHBondContact O-N 3.21Å; P230-H233 HydrophobicContact CG-CB 4.1Å; P230-H233 PolarHBondContact O-N 3.07Å; P230-H233 PolarHBondContact O-ND1 3.24Å
231P91.1Very high88.8Confident22 Ų2249 Ų4914%0.14324%0.237CC..THydrogen-bonded Turntrans-55.7134.6170.7-22.534.1000111.6I220 I223 H233 P250I220-P231 HydrophobicContact CD1-CG 4.19Å; I223-P231 HydrophobicContact CB-CG 4.38Å; I223-P231 HydrophobicContact CD1-CG 4.06Å; I223-P231 HydrophobicContact CG2-CG 3.89Å; P231-H233 VanDerWaalsContact C-N 3.3Å; P231-H233 PolarHBondContact O-N 3.31Å; P231-P250 HydrophobicContact CB-CB 3.67Å; P231-P250 HydrophobicContact CB-CG 4.19Å; P231-P250 HydrophobicContact CG-CB 3.63Å; P231-P250 HydrophobicContact CG-CG 3.91Å
232H88.3Confident88Confident52 Ų5254 Ų5424%0.24126%0.263CS..THydrogen-bonded Turntrans65.720.9176.8-53.2-42.3000116.1Y192 P230 E234 L235 K243Y192-H232 VanDerWaalsContact CE1-O 3.29Å; Y192-H232 WeakPolarHBondContact CE1-O 3.41Å; P230-H232 PolarHBondContact O-N 3.21Å; H232-E234 WeakPolarHBondContact CA-OE2 3.21Å; H232-E234 IonicContact ND1-OE1 3.63Å; H232-E234 PolarHBondContact O-N 2.87Å; H232-E234 VanDerWaalsContact O-N 3.08Å; H232-L235 HydrophobicContact CB-CD1 3.98Å; H232-L235 HydrophobicContact CB-CG 4.18Å; H232-L235 WeakPolarHBondContact O-CB 3.24Å; H232-L235 PolarHBondContact O-N 3.42Å; H232-K243 VanDerWaalsContact CD2-CG 3.41Å; H232-K243 WeakPolarHBondContact CD2-CG 3.03Å; H232-K243 VanDerWaalsContact CE1-CE 3.45Å; H232-K243 WeakPolarHBondContact CE1-CE 3.35Å; H232-K243 VanDerWaalsContact NE2-CE 3.27Å; H232-K243 WeakPolarHBondContact NE2-CE 3.39Å
233H85.8Confident87.4Confident93 Ų9357.8 Ų57.843%0.43128%0.279SS..THydrogen-bonded Turntrans-51.1-29.4174.168.6-86.2000113.2E229 P230 P231 L235E229-H233 HydrophobicContact CB-CB 4.18Å; E229-H233 WeakPolarHBondContact CB-ND1 3.44Å; E229-H233 IonicContact OE2-CG 2.67Å; P230-H233 HydrophobicContact CG-CB 4.1Å; P230-H233 PolarHBondContact O-N 3.07Å; P230-H233 PolarHBondContact O-ND1 3.24Å; P231-H233 VanDerWaalsContact C-N 3.3Å; P231-H233 PolarHBondContact O-N 3.31Å; H233-L235 PolarHBondContact O-N 2.93Å
234E83.9Confident86.9Confident118 Ų11858.6 Ų58.655%0.55128%0.284SS*.THydrogen-bonded Turntrans-69.9-11.417778.6-68.2164.400114.5H232H232-E234 WeakPolarHBondContact CA-OE2 3.21Å; H232-E234 IonicContact ND1-OE1 3.63Å; H232-E234 PolarHBondContact O-N 2.87Å; H232-E234 VanDerWaalsContact O-N 3.08Å
235L80.4Confident86.1Confident46 Ų4659.4 Ų59.424%0.24129%0.293CS..SBendtrans-97142.6179.6-56.6-173.1000112Y192 H232 H233 R239 V240 K243Y192-L235 WeakPolarHBondContact CE1-O 3.47Å; Y192-L235 PolarHBondContact OH-O 2.68Å; H232-L235 HydrophobicContact CB-CD1 3.98Å; H232-L235 HydrophobicContact CB-CG 4.18Å; H232-L235 WeakPolarHBondContact O-CB 3.24Å; H232-L235 PolarHBondContact O-N 3.42Å; H233-L235 PolarHBondContact O-N 2.93Å; L235-R239 HydrophobicContact CB-CB 4.35Å; L235-V240 HydrophobicContact CB-CG2 3.85Å; L235-K243 HydrophobicContact CD1-CB 4.5Å; L235-K243 HydrophobicContact CD1-CG 4.33Å
236N75.8Confident85.4Confident101 Ų10167.6 Ų67.654%0.5433%0.329SS..  trans-56.7138.3167.7174.8-81.2000110.7M238 R239 V240N236-M238 VanDerWaalsContact C-N 3.28Å; N236-M238 PolarHBondContact O-N 3.43Å; N236-M238 PolarHBondContact OD1-N 2.93Å; N236-M238 VanDerWaalsContact OD1-N 3.15Å; N236-R239 WeakPolarHBondContact O-CA 3.47Å; N236-R239 WeakPolarHBondContact O-CB 3.48Å; N236-R239 PolarHBondContact O-N 3.23Å; N236-V240 PolarHBondContact O-N 3.3Å
237P79.1Confident85Confident44 Ų4468.4 Ų68.429%0.28633%0.334SS..Hα-helixtrans-50.1-38.4-172.7-30.934.4000115.9P191 Y192 R239 V240 L241P191-P237 HydrophobicContact CB-CB 4.05Å; P191-P237 HydrophobicContact CG-CB 3.96Å; Y192-P237 HydrophobicContact CE2-CG 4.23Å; Y192-P237 WeakPolarHBondContact OH-CD 3.43Å; P237-R239 VanDerWaalsContact C-N 3.27Å; P237-R239 PolarHBondContact O-N 2.76Å; P237-V240 WeakPolarHBondContact O-CB 3.49Å; P237-V240 PolarHBondContact O-N 2.96Å; P237-V240 VanDerWaalsContact O-N 3.08Å; P237-L241 PolarHBondContact O-N 3.26Å
238M76.5Confident84.8Confident106 Ų10673.2 Ų73.252%0.52236%0.356SS..Hα-helixtrans-67.3-26.3178.8-66.9-65.8105.500113.2F187 N236 L241F187-M238 HydrophobicContact CE2-CE 4.31Å; F187-M238 HydrophobicContact CZ-CE 4.25Å; N236-M238 VanDerWaalsContact C-N 3.28Å; N236-M238 PolarHBondContact O-N 3.43Å; N236-M238 PolarHBondContact OD1-N 2.93Å; N236-M238 VanDerWaalsContact OD1-N 3.15Å; M238-L241 HydrophobicContact CE-CD1 3.53Å; M238-L241 HydrophobicContact SD-CD1 4.09Å
239R83.3Confident84.9Confident173 Ų17371.9 Ų71.965%0.65335%0.353SS*.Hα-helixtrans-76.9-32.3171.3-71.1-176.4168.1-178.2-2.4112L235 N236 P237 L242 K243L235-R239 HydrophobicContact CB-CB 4.35Å; N236-R239 WeakPolarHBondContact O-CA 3.47Å; N236-R239 WeakPolarHBondContact O-CB 3.48Å; N236-R239 PolarHBondContact O-N 3.23Å; P237-R239 VanDerWaalsContact C-N 3.27Å; P237-R239 PolarHBondContact O-N 2.76Å; R239-L242 PolarHBondContact O-N 3.39Å; R239-K243 VanDerWaalsContact O-CB 3.28Å; R239-K243 WeakPolarHBondContact O-CB 3.42Å; R239-K243 PolarHBondContact O-N 3.04Å
240V85.3Confident85.1Confident1 Ų168.6 Ų68.61%0.00634%0.34CS..Hα-helixtrans-62.5-45.2178.1-176.20000110.4Y192 L235 N236 P237 L242 K243 V244Y192-V240 HydrophobicContact CD1-CB 4.41Å; Y192-V240 HydrophobicContact CD1-CG1 3.93Å; Y192-V240 HydrophobicContact CD1-CG2 3.68Å; Y192-V240 HydrophobicContact CE1-CB 4.45Å; Y192-V240 HydrophobicContact CE1-CG1 4.45Å; Y192-V240 HydrophobicContact CE1-CG2 3.35Å; Y192-V240 HydrophobicContact CG-CG1 4.3Å; L235-V240 HydrophobicContact CB-CG2 3.85Å; N236-V240 PolarHBondContact O-N 3.3Å; P237-V240 WeakPolarHBondContact O-CB 3.49Å; P237-V240 PolarHBondContact O-N 2.96Å; P237-V240 VanDerWaalsContact O-N 3.08Å; V240-L242 PolarHBondContact O-N 3.09Å; V240-K243 CarbonylContact O-C 3.52Å; V240-K243 WeakPolarHBondContact O-CA 3.44Å; V240-K243 WeakPolarHBondContact O-CB 3.46Å; V240-K243 PolarHBondContact O-N 3.37Å; V240-V244 HydrophobicContact CG1-CG2 4.16Å; V240-V244 WeakPolarHBondContact O-CG2 3.25Å; V240-V244 PolarHBondContact O-N 3Å
241L82.5Confident85.2Confident17 Ų1773.2 Ų73.29%0.08937%0.368CS..Hα-helixtrans-54.4-49.5175.2-61.9174.2000112.3F187 P191 M194 V199 P237 M238 K243 V244 A245F187-L241 HydrophobicContact CE2-CD1 3.59Å; F187-L241 HydrophobicContact CE2-CD2 4.28Å; F187-L241 HydrophobicContact CZ-CD1 3.78Å; F187-L241 HydrophobicContact CZ-CD2 4.02Å; F187-L241 HydrophobicContact CZ-CG 4.44Å; P191-L241 HydrophobicContact CB-CD2 4.13Å; M194-L241 HydrophobicContact SD-CD2 3.88Å; V199-L241 HydrophobicContact CB-CD2 4.39Å; V199-L241 HydrophobicContact CG1-CB 3.8Å; V199-L241 HydrophobicContact CG1-CD2 3.93Å; V199-L241 HydrophobicContact CG1-CG 4.4Å; V199-L241 HydrophobicContact CG2-CD2 3.65Å; P237-L241 PolarHBondContact O-N 3.26Å; M238-L241 HydrophobicContact CE-CD1 3.53Å; M238-L241 HydrophobicContact SD-CD1 4.09Å; L241-K243 VanDerWaalsContact C-N 3.28Å; L241-K243 PolarHBondContact O-N 3.18Å; L241-V244 PolarHBondContact O-N 2.79Å; L241-A245 WeakPolarHBondContact O-CB 3.39Å; L241-A245 PolarHBondContact O-N 3.05Å
242L81Confident85.4Confident104 Ų10472.2 Ų72.255%0.54536%0.361SS..Hα-helixtrans-64.1-33.6176.2-66.8173.9000112.4R239 V240 K246R239-L242 PolarHBondContact O-N 3.39Å; V240-L242 PolarHBondContact O-N 3.09Å; L242-K246 VanDerWaalsContact O-CB 3.31Å; L242-K246 WeakPolarHBondContact O-CB 3.47Å; L242-K246 WeakPolarHBondContact O-CG 3.46Å; L242-K246 PolarHBondContact O-N 2.87Å; L242-K246 VanDerWaalsContact O-N 3.14Å
243K84.9Confident85.6Confident80 Ų8076.1 Ų76.135%0.34838%0.384SS..Hα-helixtrans-70.6-48179.1-175.170.8-175.1138.60111.1H232 L235 R239 V240 L241 K246 S247H232-K243 VanDerWaalsContact CD2-CG 3.41Å; H232-K243 WeakPolarHBondContact CD2-CG 3.03Å; H232-K243 VanDerWaalsContact CE1-CE 3.45Å; H232-K243 WeakPolarHBondContact CE1-CE 3.35Å; H232-K243 VanDerWaalsContact NE2-CE 3.27Å; H232-K243 WeakPolarHBondContact NE2-CE 3.39Å; L235-K243 HydrophobicContact CD1-CB 4.5Å; L235-K243 HydrophobicContact CD1-CG 4.33Å; R239-K243 VanDerWaalsContact O-CB 3.28Å; R239-K243 WeakPolarHBondContact O-CB 3.42Å; R239-K243 PolarHBondContact O-N 3.04Å; V240-K243 CarbonylContact O-C 3.52Å; V240-K243 WeakPolarHBondContact O-CA 3.44Å; V240-K243 WeakPolarHBondContact O-CB 3.46Å; V240-K243 PolarHBondContact O-N 3.37Å; L241-K243 VanDerWaalsContact C-N 3.28Å; L241-K243 PolarHBondContact O-N 3.18Å; K243-K246 PolarHBondContact O-N 3.46Å; K243-S247 VanDerWaalsContact CD-OG 3.28Å; K243-S247 WeakPolarHBondContact CD-OG 3.45Å; K243-S247 WeakPolarHBondContact CE-OG 3.31Å; K243-S247 PolarHBondContact NZ-OG 3.45Å; K243-S247 WeakPolarHBondContact O-CB 3.41Å; K243-S247 PolarHBondContact O-N 2.95Å; K243-S247 PolarHBondContact O-OG 3.39Å
244V87.2Confident85.8Confident19 Ų1977.9 Ų77.912%0.11539%0.392CS..Hα-helixtrans-61.2-46.4175.7170.40000111.1P196 W216 V240 L241 K246 K272P196-V244 HydrophobicContact CB-CG1 4.29Å; P196-V244 HydrophobicContact CG-CG1 3.87Å; W216-V244 HydrophobicContact CZ2-CG1 4.16Å; V240-V244 HydrophobicContact CG1-CG2 4.16Å; V240-V244 WeakPolarHBondContact O-CG2 3.25Å; V240-V244 PolarHBondContact O-N 3Å; L241-V244 PolarHBondContact O-N 2.79Å; V244-K246 PolarHBondContact O-N 3.33Å; V244-K272 PolarHBondContact O-NZ 3.21Å
245A81.6Confident86.2Confident30 Ų3075.1 Ų75.125%0.24839%0.385CS..Hα-helixtrans-61.4-43.717800000112.4L241 K272L241-A245 WeakPolarHBondContact O-CB 3.39Å; L241-A245 PolarHBondContact O-N 3.05Å; A245-K272 PolarHBondContact O-NZ 2.88Å
246K82.8Confident86.9Confident171 Ų17178.8 Ų78.874%0.74341%0.414SS*.Hα-helixtrans-102.2-12.9-167.8-61.6-178.8179.9-178.20116.6L242 K243 V244L242-K246 VanDerWaalsContact O-CB 3.31Å; L242-K246 WeakPolarHBondContact O-CB 3.47Å; L242-K246 WeakPolarHBondContact O-CG 3.46Å; L242-K246 PolarHBondContact O-N 2.87Å; L242-K246 VanDerWaalsContact O-N 3.14Å; K243-K246 PolarHBondContact O-N 3.46Å; V244-K246 PolarHBondContact O-N 3.33Å
247S87.7Confident87.7Confident25 Ų2580.6 Ų80.618%0.17542%0.417CS..SBendtrans-95.2168.5-179.9-480000112.3K243 K272K243-S247 VanDerWaalsContact CD-OG 3.28Å; K243-S247 WeakPolarHBondContact CD-OG 3.45Å; K243-S247 WeakPolarHBondContact CE-OG 3.31Å; K243-S247 PolarHBondContact NZ-OG 3.45Å; K243-S247 WeakPolarHBondContact O-CB 3.41Å; K243-S247 PolarHBondContact O-N 2.95Å; K243-S247 PolarHBondContact O-OG 3.39Å; S247-K272 PolarHBondContact O-NZ 2.91Å
248E89.9Confident88.6Confident162 Ų16279.9 Ų79.976%0.75741%0.409SS*.PPolyproline II helixtrans-59159.4158.4-61.8-51.4141.300111.6
249P93.4Very high89.5Confident43 Ų4376.6 Ų76.628%0.27940%0.396SS..PPolyproline II helixtrans-52.7146.2171.1-2735.9000113.1W216 L270 K272W216-P249 HydrophobicContact CH2-CB 4.46Å; P249-L270 HydrophobicContact CB-CB 4.16Å; P249-L270 WeakPolarHBondContact CB-O 3.37Å; P249-L270 WeakPolarHBondContact CG-O 3.28Å; P249-K272 HydrophobicContact CG-CD 4.31Å; P249-K272 HydrophobicContact CG-CG 3.88Å
250P94.2Very high90.2Very high27 Ų2779 Ų7918%0.17541%0.406CS..PPolyproline II helixtrans-70.1153.3173.429.1-31.6000111.3I220 I223 P231 L270I220-P250 HydrophobicContact CD1-CG 3.58Å; I223-P250 HydrophobicContact CD1-CB 4.34Å; I223-P250 HydrophobicContact CD1-CG 4.36Å; P231-P250 HydrophobicContact CB-CB 3.67Å; P231-P250 HydrophobicContact CB-CG 4.19Å; P231-P250 HydrophobicContact CG-CB 3.63Å; P231-P250 HydrophobicContact CG-CG 3.91Å; P250-L270 HydrophobicContact CG-CD1 4.19Å; P250-L270 WeakPolarHBondContact O-CD1 3.49Å
251T95.2Very high90.8Very high103 Ų10382.1 Ų82.163%0.63242%0.422SS*.  trans-136.5160.7176.655.10000108.9
252L94.3Very high91.5Very high2 Ų281.3 Ų81.31%0.0142%0.418CS..  trans-59.8138.9175-60.7166.2000110.7I223 A226 Q227 Q254 P255 W258 F262 L266I223-L252 HydrophobicContact CB-CD2 4.27Å; I223-L252 HydrophobicContact CG1-CD2 3.95Å; I223-L252 HydrophobicContact CG2-CD2 4.12Å; A226-L252 HydrophobicContact CB-CD2 3.7Å; Q227-L252 HydrophobicContact CG-CD2 4.11Å; Q227-L252 VanDerWaalsContact OE1-CA 3.31Å; L252-Q254 PolarHBondContact O-N 3.48Å; L252-Q254 VanDerWaalsContact O-N 3.14Å; L252-P255 WeakPolarHBondContact O-CD 3.41Å; L252-P255 VanDerWaalsContact O-CG 3.31Å; L252-P255 WeakPolarHBondContact O-CG 3.42Å; L252-W258 HydrophobicContact CD1-CB 4.16Å; L252-W258 VanDerWaalsContact CD1-CD1 3.46Å; L252-W258 HydrophobicContact CD1-CD2 4.23Å; L252-W258 HydrophobicContact CD1-CG 3.7Å; L252-F262 HydrophobicContact CD1-CD1 4.13Å; L252-F262 HydrophobicContact CD1-CE1 3.87Å; L252-F262 HydrophobicContact CD1-CZ 4.37Å; L252-L266 HydrophobicContact CD1-CD1 3.59Å; L252-L266 HydrophobicContact CD2-CD1 4.1Å; L252-L266 HydrophobicContact CG-CD1 3.65Å
253D92.3Very high92.3Very high134 Ų13478.5 Ų78.572%0.71740%0.403SS*.SBendtrans-61.5-25.2-177.8-71.1-51.2000114Q227Q227-D253 PolarHBondContact NE2-OD2 2.98Å
254Q91Very high92.9Very high129 Ų12977 Ų7760%0.60340%0.399SS*.  trans-13074178.4-62.7-177.7600110.2L252 S256 K257 W258L252-Q254 PolarHBondContact O-N 3.48Å; L252-Q254 VanDerWaalsContact O-N 3.14Å; Q254-S256 PolarHBondContact O-N 3.1Å; Q254-S256 VanDerWaalsContact O-N 3.07Å; Q254-K257 HydrophobicContact CB-CB 4.36Å; Q254-K257 WeakPolarHBondContact O-CB 3.45Å; Q254-K257 PolarHBondContact O-N 2.99Å; Q254-W258 VanDerWaalsContact O-CD1 3.3Å
255P92.9Very high93.4Very high61 Ų6176 Ų7640%0.39639%0.393SS..G310 helixtrans-56.1-31.2-174.6-27.436.9000113.7L252 K257 W258 N263L252-P255 WeakPolarHBondContact O-CD 3.41Å; L252-P255 VanDerWaalsContact O-CG 3.31Å; L252-P255 WeakPolarHBondContact O-CG 3.42Å; P255-K257 VanDerWaalsContact C-N 3.28Å; P255-K257 PolarHBondContact O-N 3.22Å; P255-W258 PolarHBondContact O-N 3.22Å; P255-N263 WeakPolarHBondContact CB-OD1 3.42Å; P255-N263 PolarHBondContact O-ND2 2.7Å
256S93.4Very high94.2Very high123 Ų12375 Ų7586%0.8638%0.383SS*.G310 helixtrans-69.8-13.9179.650.50000115.2Q254 W258Q254-S256 PolarHBondContact O-N 3.1Å; Q254-S256 VanDerWaalsContact O-N 3.07Å; S256-W258 VanDerWaalsContact C-N 3.26Å
257K93.8Very high94.9Very high138 Ų13874.7 Ų74.760%0.638%0.378SS*.G310 helixtrans-73.4-20.9172.2-179.7-175.1171.4-163.20112.1Q254 P255Q254-K257 HydrophobicContact CB-CB 4.36Å; Q254-K257 WeakPolarHBondContact O-CB 3.45Å; Q254-K257 PolarHBondContact O-N 2.99Å; P255-K257 VanDerWaalsContact C-N 3.28Å; P255-K257 PolarHBondContact O-N 3.22Å
258W96.6Very high95.4Very high30 Ų3076.7 Ų76.711%0.11438%0.383CS..SBendtrans-118.2158.2-164.6-57.2100.1000112.1E126 I129 A226 L252 Q254 P255 S256 F262 N263E126-W258 HydrophobicContact CB-CE3 4.08Å; E126-W258 HydrophobicContact CB-CZ3 4.06Å; E126-W258 HydrophobicContact CG-CE3 4.32Å; I129-W258 HydrophobicContact CD1-CH2 4.04Å; I129-W258 HydrophobicContact CD1-CZ3 3.92Å; A226-W258 HydrophobicContact CB-CH2 3.73Å; A226-W258 HydrophobicContact CB-CZ2 3.6Å; A226-W258 HydrophobicContact CB-CZ3 4.49Å; A226-W258 WeakPolarHBondContact O-CZ2 3.3Å; L252-W258 HydrophobicContact CD1-CB 4.16Å; L252-W258 VanDerWaalsContact CD1-CD1 3.46Å; L252-W258 HydrophobicContact CD1-CD2 4.23Å; L252-W258 HydrophobicContact CD1-CG 3.7Å; Q254-W258 VanDerWaalsContact O-CD1 3.3Å; P255-W258 PolarHBondContact O-N 3.22Å; S256-W258 VanDerWaalsContact C-N 3.26Å; W258-F262 HydrophobicContact CB-CD1 3.99Å; W258-F262 AromaticContact CD2-CD1 3.98Å; W258-F262 HydrophobicContact CD2-CD1 3.98Å; W258-F262 AromaticContact CD2-CE1 3.97Å; W258-F262 HydrophobicContact CD2-CE1 3.97Å; W258-F262 AromaticContact CE3-CD1 3.66Å; W258-F262 HydrophobicContact CE3-CD1 3.66Å; W258-F262 AromaticContact CE3-CE1 3.68Å; W258-F262 HydrophobicContact CE3-CE1 3.68Å; W258-F262 HydrophobicContact CG-CD1 4.15Å; W258-F262 HydrophobicContact CG-CE1 4.44Å; W258-F262 HydrophobicContact CZ3-CD1 4.4Å; W258-F262 HydrophobicContact CZ3-CE1 4.05Å; W258-N263 PolarHBondContact O-ND2 3.17Å
259S97.3Very high95.7Very high37 Ų3769 Ų6926%0.25935%0.347SS..  trans-64.7156.3-17976.90000112.6E126 D261 F262 N263E126-S259 VanDerWaalsContact CD-OG 3.29Å; E126-S259 WeakPolarHBondContact OE1-CB 3.15Å; E126-S259 PolarHBondContact OE1-OG 2.83Å; E126-S259 WeakPolarHBondContact OE2-CB 3.37Å; E126-S259 PolarHBondContact OE2-N 2.86Å; E126-S259 PolarHBondContact OE2-OG 2.62Å; S259-D261 PolarHBondContact O-N 3.43Å; S259-F262 PolarHBondContact O-N 2.89Å; S259-F262 PolarHBondContact OG-N 3.34Å; S259-N263 PolarHBondContact O-N 3.32Å; S259-N263 VanDerWaalsContact O-N 3.12Å; S259-N263 PolarHBondContact O-ND2 2.77Å
260R96.8Very high95.9Very high224 Ų22467 Ų6785%0.84533%0.334SS*.Hα-helixtrans-60.9-35.4172.7-66.1-178-178.5174.40.9111.2D264R260-D264 VanDerWaalsContact O-CB 3.29Å; R260-D264 WeakPolarHBondContact O-CB 3.27Å; R260-D264 PolarHBondContact O-N 3.12Å
261D97.6Very high95.9Very high66 Ų6668.5 Ų68.535%0.35334%0.341SS..Hα-helixtrans-66.2-39.1178.7-67.11.9000112S259 F265 H286 P287 F288S259-D261 PolarHBondContact O-N 3.43Å; D261-F265 VanDerWaalsContact O-CB 3.3Å; D261-F265 WeakPolarHBondContact O-CB 3.43Å; D261-F265 PolarHBondContact O-N 3.46Å; D261-H286 PolarHBondContact O-CE1 2.91Å; D261-P287 WeakPolarHBondContact OD2-CB 3.46Å; D261-F288 HydrophobicContact CB-CB 4.17Å; D261-F288 HydrophobicContact CB-CD2 4.43Å
262F98Very high95.7Very high0 Ų066.5 Ų66.50%032%0.323CS..Hα-helixtrans-69.1-48.1176.4-172.1-160.4000111.4E126 I129 L222 A226 L252 W258 S259 D264 F265 L266 F288E126-F262 HydrophobicContact CG-CD1 4.16Å; I129-F262 HydrophobicContact CD1-CE1 4.1Å; I129-F262 HydrophobicContact CD1-CZ 4.18Å; I129-F262 HydrophobicContact CG2-CE2 4.11Å; I129-F262 HydrophobicContact CG2-CZ 3.9Å; L222-F262 HydrophobicContact CB-CE2 4.09Å; L222-F262 HydrophobicContact CB-CZ 4.39Å; A226-F262 HydrophobicContact CB-CE1 4.18Å; A226-F262 HydrophobicContact CB-CZ 4.27Å; L252-F262 HydrophobicContact CD1-CD1 4.13Å; L252-F262 HydrophobicContact CD1-CE1 3.87Å; L252-F262 HydrophobicContact CD1-CZ 4.37Å; W258-F262 HydrophobicContact CB-CD1 3.99Å; W258-F262 AromaticContact CD2-CD1 3.98Å; W258-F262 HydrophobicContact CD2-CD1 3.98Å; W258-F262 AromaticContact CD2-CE1 3.97Å; W258-F262 HydrophobicContact CD2-CE1 3.97Å; W258-F262 AromaticContact CE3-CD1 3.66Å; W258-F262 HydrophobicContact CE3-CD1 3.66Å; W258-F262 AromaticContact CE3-CE1 3.68Å; W258-F262 HydrophobicContact CE3-CE1 3.68Å; W258-F262 HydrophobicContact CG-CD1 4.15Å; W258-F262 HydrophobicContact CG-CE1 4.44Å; W258-F262 HydrophobicContact CZ3-CD1 4.4Å; W258-F262 HydrophobicContact CZ3-CE1 4.05Å; S259-F262 PolarHBondContact O-N 2.89Å; S259-F262 PolarHBondContact OG-N 3.34Å; F262-D264 VanDerWaalsContact C-N 3.31Å; F262-D264 PolarHBondContact O-N 3.09Å; F262-F265 WeakPolarHBondContact O-CB 3.38Å; F262-F265 PolarHBondContact O-N 2.64Å; F262-L266 HydrophobicContact CD2-CD1 4.15Å; F262-L266 HydrophobicContact CD2-CG 3.97Å; F262-L266 HydrophobicContact CE2-CD1 3.76Å; F262-L266 HydrophobicContact CE2-CD2 3.89Å; F262-L266 HydrophobicContact CE2-CG 3.69Å; F262-L266 HydrophobicContact CZ-CD1 4Å; F262-L266 HydrophobicContact CZ-CG 4.41Å; F262-L266 WeakPolarHBondContact O-CG 3.37Å; F262-L266 PolarHBondContact O-N 3.1Å; F262-F288 HydrophobicContact CB-CD2 3.7Å; F262-F288 HydrophobicContact CB-CE2 3.38Å; F262-F288 HydrophobicContact CB-CZ 4.01Å; F262-F288 HydrophobicContact CD1-CE2 4.34Å; F262-F288 HydrophobicContact CD1-CZ 4.35Å; F262-F288 HydrophobicContact CD2-CD1 4.32Å; F262-F288 HydrophobicContact CD2-CD2 4.3Å; F262-F288 AromaticContact CD2-CE1 3.66Å; F262-F288 HydrophobicContact CD2-CE1 3.66Å; F262-F288 AromaticContact CD2-CE2 3.65Å; F262-F288 HydrophobicContact CD2-CE2 3.65Å; F262-F288 AromaticContact CD2-CZ 3.28Å; F262-F288 HydrophobicContact CD2-CZ 3.28Å; F262-F288 HydrophobicContact CE2-CE1 4.08Å; F262-F288 AromaticContact CE2-CZ 3.81Å; F262-F288 HydrophobicContact CE2-CZ 3.81Å; F262-F288 HydrophobicContact CG-CD2 4.26Å; F262-F288 HydrophobicContact CG-CE1 4.4Å; F262-F288 AromaticContact CG-CE2 3.53Å; F262-F288 HydrophobicContact CG-CE2 3.53Å; F262-F288 AromaticContact CG-CZ 3.62Å; F262-F288 HydrophobicContact CG-CZ 3.62Å
263N97.5Very high95.4Very high44 Ų4469.9 Ų69.924%0.23534%0.341CS..Hα-helixtrans-58.6-41.7176.3-77.4-80.6000111.9P255 W258 S259 R267P255-N263 WeakPolarHBondContact CB-OD1 3.42Å; P255-N263 PolarHBondContact O-ND2 2.7Å; W258-N263 PolarHBondContact O-ND2 3.17Å; S259-N263 PolarHBondContact O-N 3.32Å; S259-N263 VanDerWaalsContact O-N 3.12Å; S259-N263 PolarHBondContact O-ND2 2.77Å; N263-R267 WeakPolarHBondContact O-CB 3.44Å; N263-R267 PolarHBondContact O-N 3.08Å
264D97.8Very high95.2Very high48 Ų4865 Ų6526%0.25732%0.317SS..Hα-helixtrans-73.5-30.9177.6-167.552.1000113R260 F262 R267 K268 H286R260-D264 VanDerWaalsContact O-CB 3.29Å; R260-D264 WeakPolarHBondContact O-CB 3.27Å; R260-D264 PolarHBondContact O-N 3.12Å; F262-D264 VanDerWaalsContact C-N 3.31Å; F262-D264 PolarHBondContact O-N 3.09Å; D264-R267 IonicContact OD1-CZ 2.67Å; D264-R267 IonicContact OD1-NE 3.37Å; D264-R267 PolarHBondContact OD1-NE 2.95Å; D264-R267 IonicContact OD1-NH2 3.82Å; D264-R267 PolarHBondContact OD1-NH2 2.95Å; D264-K268 WeakPolarHBondContact O-CD 3.26Å; D264-K268 WeakPolarHBondContact O-CG 3.46Å; D264-K268 PolarHBondContact O-N 2.81Å; D264-K268 VanDerWaalsContact O-N 3.12Å; D264-K268 WeakPolarHBondContact OD2-CE 3.33Å; D264-K268 IonicContact OD2-NZ 2.64Å; D264-K268 PolarHBondContact OD2-NZ 2.86Å; D264-H286 IonicContact OD2-NE2 2.95Å
265F98.4Very high95Very high0 Ų066 Ų660%032%0.322CS..Hα-helixtrans-62-51.3170-174.6-76.5000110.8C133 L137 L218 L222 D261 F262 R267 K268 A269 L283 H286 F288 V289C133-F265 WeakPolarHBondContact SG-CZ 3.41Å; L137-F265 HydrophobicContact CD1-CE2 3.96Å; L137-F265 HydrophobicContact CD1-CZ 3.91Å; L218-F265 HydrophobicContact CD2-CZ 4.47Å; L222-F265 HydrophobicContact CD1-CD1 3.82Å; L222-F265 HydrophobicContact CD1-CE1 3.4Å; L222-F265 HydrophobicContact CD1-CZ 4.33Å; D261-F265 VanDerWaalsContact O-CB 3.3Å; D261-F265 WeakPolarHBondContact O-CB 3.43Å; D261-F265 PolarHBondContact O-N 3.46Å; F262-F265 WeakPolarHBondContact O-CB 3.38Å; F262-F265 PolarHBondContact O-N 2.64Å; F265-R267 VanDerWaalsContact C-N 3.34Å; F265-R267 PolarHBondContact O-N 2.58Å; F265-K268 PolarHBondContact O-N 3.42Å; F265-K268 VanDerWaalsContact O-N 3.12Å; F265-A269 HydrophobicContact CD1-CB 4.45Å; F265-A269 HydrophobicContact CE1-CB 4.2Å; F265-A269 PolarHBondContact O-N 2.95Å; F265-L283 HydrophobicContact CD2-CD2 4.13Å; F265-L283 HydrophobicContact CE1-CD1 4.45Å; F265-L283 HydrophobicContact CE2-CB 3.91Å; F265-L283 HydrophobicContact CE2-CD1 4.36Å; F265-L283 HydrophobicContact CE2-CD2 3.76Å; F265-L283 HydrophobicContact CE2-CG 4.22Å; F265-L283 HydrophobicContact CZ-CB 4.11Å; F265-L283 HydrophobicContact CZ-CD1 3.86Å; F265-L283 HydrophobicContact CZ-CD2 4.03Å; F265-L283 HydrophobicContact CZ-CG 4.22Å; F265-H286 HydrophobicContact CD2-CB 3.89Å; F265-H286 AromaticContact CD2-CG 3.79Å; F265-H286 AromaticContact CD2-ND1 3.62Å; F265-H286 HydrophobicContact CE2-CB 4.26Å; F265-F288 HydrophobicContact CB-CB 4.04Å; F265-F288 HydrophobicContact CB-CD1 3.99Å; F265-F288 HydrophobicContact CB-CG 4.13Å; F265-F288 HydrophobicContact CD1-CD1 4.32Å; F265-F288 HydrophobicContact CD2-CB 4.02Å; F265-F288 AromaticContact CD2-CD1 3.81Å; F265-F288 HydrophobicContact CD2-CD1 3.81Å; F265-F288 HydrophobicContact CD2-CG 4.34Å; F265-F288 HydrophobicContact CE2-CD1 4.4Å; F265-F288 HydrophobicContact CG-CB 4.33Å; F265-F288 AromaticContact CG-CD1 3.77Å; F265-F288 HydrophobicContact CG-CD1 3.77Å; F265-F288 HydrophobicContact CG-CG 4.34Å; F265-V289 HydrophobicContact CE2-CG2 4.43Å
266L98.1Very high94.9Very high8 Ų867 Ų674%0.04233%0.329CS..Hα-helixtrans-58.7-45.8177.9-71177.7000111.3G219 L222 I223 L252 F262 K268 A269 L270G219-L266 WeakPolarHBondContact O-CD2 3.34Å; L222-L266 HydrophobicContact CB-CD2 3.75Å; L222-L266 HydrophobicContact CD1-CD2 4.33Å; I223-L266 HydrophobicContact CG1-CD1 4Å; I223-L266 HydrophobicContact CG1-CD2 4.12Å; L252-L266 HydrophobicContact CD1-CD1 3.59Å; L252-L266 HydrophobicContact CD2-CD1 4.1Å; L252-L266 HydrophobicContact CG-CD1 3.65Å; F262-L266 HydrophobicContact CD2-CD1 4.15Å; F262-L266 HydrophobicContact CD2-CG 3.97Å; F262-L266 HydrophobicContact CE2-CD1 3.76Å; F262-L266 HydrophobicContact CE2-CD2 3.89Å; F262-L266 HydrophobicContact CE2-CG 3.69Å; F262-L266 HydrophobicContact CZ-CD1 4Å; F262-L266 HydrophobicContact CZ-CG 4.41Å; F262-L266 WeakPolarHBondContact O-CG 3.37Å; F262-L266 PolarHBondContact O-N 3.1Å; L266-K268 PolarHBondContact O-N 3.09Å; L266-A269 PolarHBondContact O-N 2.83Å; L266-L270 WeakPolarHBondContact O-CB 3.36Å; L266-L270 WeakPolarHBondContact O-CG 3.47Å; L266-L270 PolarHBondContact O-N 2.62Å
267R97.5Very high94.9Very high165 Ų16561.2 Ų61.262%0.62329%0.289SS*.Hα-helixtrans-56.9-33.2176.4-171.1-17068.478.4-1.4113.2N263 D264 F265N263-R267 WeakPolarHBondContact O-CB 3.44Å; N263-R267 PolarHBondContact O-N 3.08Å; D264-R267 IonicContact OD1-CZ 2.67Å; D264-R267 IonicContact OD1-NE 3.37Å; D264-R267 PolarHBondContact OD1-NE 2.95Å; D264-R267 IonicContact OD1-NH2 3.82Å; D264-R267 PolarHBondContact OD1-NH2 2.95Å; F265-R267 VanDerWaalsContact C-N 3.34Å; F265-R267 PolarHBondContact O-N 2.58Å
268K97.3Very high95Very high67 Ų6755.7 Ų55.729%0.29127%0.267SS..Hα-helixtrans-80.7-41.9176.3-75.8162.6170.5157.50112.4D264 F265 L266 L270 P278 H286D264-K268 WeakPolarHBondContact O-CD 3.26Å; D264-K268 WeakPolarHBondContact O-CG 3.46Å; D264-K268 PolarHBondContact O-N 2.81Å; D264-K268 VanDerWaalsContact O-N 3.12Å; D264-K268 WeakPolarHBondContact OD2-CE 3.33Å; D264-K268 IonicContact OD2-NZ 2.64Å; D264-K268 PolarHBondContact OD2-NZ 2.86Å; F265-K268 PolarHBondContact O-N 3.42Å; F265-K268 VanDerWaalsContact O-N 3.12Å; L266-K268 PolarHBondContact O-N 3.09Å; K268-L270 VanDerWaalsContact C-N 3.33Å; K268-P278 HydrophobicContact CB-CG 4.27Å; K268-P278 WeakPolarHBondContact O-CD 3.37Å; K268-H286 WeakPolarHBondContact CD-NE2 3.49Å; K268-H286 PolarHBondContact NZ-CD2 3.4Å; K268-H286 PolarHBondContact NZ-NE2 2.69Å
269A96.9Very high94.9Very high0 Ų055.5 Ų55.50%027%0.27CS..Hα-helixtrans-66.7-35.2178.700000112.3I215 F265 L266 D271 R277I215-A269 HydrophobicContact CG2-CB 4.34Å; F265-A269 HydrophobicContact CD1-CB 4.45Å; F265-A269 HydrophobicContact CE1-CB 4.2Å; F265-A269 PolarHBondContact O-N 2.95Å; L266-A269 PolarHBondContact O-N 2.83Å; A269-D271 PolarHBondContact O-N 2.67Å; A269-R277 VanDerWaalsContact O-CD 3.23Å; A269-R277 WeakPolarHBondContact O-CD 3.23Å; A269-R277 WeakPolarHBondContact O-CG 3.43Å
270L96.9Very high94.9Very high2 Ų253.8 Ų53.81%0.0126%0.258CS..THydrogen-bonded Turntrans-96.731.3-177.9-60.3169.4000113.1W216 I220 I223 P249 P250 L266 K268 K272W216-L270 HydrophobicContact CD2-CD2 3.7Å; W216-L270 HydrophobicContact CE3-CB 4.25Å; W216-L270 HydrophobicContact CE3-CD2 3.99Å; W216-L270 HydrophobicContact CG-CD2 4.05Å; W216-L270 HydrophobicContact CZ2-CD2 4.28Å; W216-L270 HydrophobicContact CZ3-CB 4.15Å; W216-L270 HydrophobicContact CZ3-CD2 4.4Å; W216-L270 WeakPolarHBondContact CZ3-O 3.29Å; I220-L270 HydrophobicContact CD1-CD2 3.68Å; I220-L270 HydrophobicContact CG1-CD2 3.97Å; I223-L270 HydrophobicContact CD1-CD1 3.72Å; P249-L270 HydrophobicContact CB-CB 4.16Å; P249-L270 WeakPolarHBondContact CB-O 3.37Å; P249-L270 WeakPolarHBondContact CG-O 3.28Å; P250-L270 HydrophobicContact CG-CD1 4.19Å; P250-L270 WeakPolarHBondContact O-CD1 3.49Å; L266-L270 WeakPolarHBondContact O-CB 3.36Å; L266-L270 WeakPolarHBondContact O-CG 3.47Å; L266-L270 PolarHBondContact O-N 2.62Å; K268-L270 VanDerWaalsContact C-N 3.33Å; L270-K272 PolarHBondContact O-N 3.32Å
271D94.4Very high94.9Very high57 Ų5745.2 Ų45.231%0.30524%0.235SC..  trans-68.4128.5166.7-165.4-33.6000109.5A269 N273 C276 R277A269-D271 PolarHBondContact O-N 2.67Å; D271-N273 VanDerWaalsContact C-N 3.26Å; D271-N273 PolarHBondContact O-N 3.06Å; D271-N273 PolarHBondContact OD1-N 2.91Å; D271-C276 WeakPolarHBondContact OD2-CB 3.44Å; D271-R277 HydrophobicContact CB-CB 4.19Å; D271-R277 HydrophobicContact CB-CG 4.45Å; D271-R277 VanDerWaalsContact O-CZ 3.26Å; D271-R277 PolarHBondContact O-NE 3.35Å; D271-R277 PolarHBondContact O-NH2 2.84Å
272K90.3Very high94.8Very high62 Ų6247.9 Ų47.927%0.2725%0.245SC..SBendtrans-70.7-22.2178.7-58-168.967.8177.30112.7P196 W216 V244 A245 S247 P249 L270 P274P196-K272 HydrophobicContact CG-CB 4.33Å; P196-K272 HydrophobicContact CG-CG 4.23Å; W216-K272 HydrophobicContact CH2-CG 4.22Å; W216-K272 HydrophobicContact CZ3-CG 4Å; V244-K272 PolarHBondContact O-NZ 3.21Å; A245-K272 PolarHBondContact O-NZ 2.88Å; S247-K272 PolarHBondContact O-NZ 2.91Å; P249-K272 HydrophobicContact CG-CD 4.31Å; P249-K272 HydrophobicContact CG-CG 3.88Å; L270-K272 PolarHBondContact O-N 3.32Å; K272-P274 WeakPolarHBondContact O-CD 3.42Å
273N88.6Confident94.8Very high72 Ų7248 Ų4839%0.38525%0.246SC..SBendtrans-87.2111.3174.1-177.92.3000109.7D271 E275 C276 R277D271-N273 VanDerWaalsContact C-N 3.26Å; D271-N273 PolarHBondContact O-N 3.06Å; D271-N273 PolarHBondContact OD1-N 2.91Å; N273-E275 PolarHBondContact O-N 3.44Å; N273-E275 VanDerWaalsContact O-N 3.15Å; N273-E275 WeakPolarHBondContact OD1-CB 3.24Å; N273-E275 PolarHBondContact OD1-N 2.67Å; N273-C276 HydrophobicContact CB-CB 4.16Å; N273-C276 PolarHBondContact ND2-SG 3.03Å; N273-C276 PolarHBondContact O-N 2.99Å; N273-R277 PolarHBondContact O-N 3.2Å
274P88.2Confident94.8Very high32 Ų3246.8 Ų46.821%0.20824%0.239CC..THydrogen-bonded Turntrans-62.2-22.7-179.826.9-35.3000112.8E197 K212 K272E197-P274 HydrophobicContact CB-CG 4.38Å; E197-P274 HydrophobicContact CG-CB 4.36Å; E197-P274 HydrophobicContact CG-CG 4.23Å; K212-P274 HydrophobicContact CB-CB 4.01Å; K212-P274 WeakPolarHBondContact CD-O 3.42Å; K212-P274 HydrophobicContact CG-CB 4.46Å; K212-P274 WeakPolarHBondContact CG-O 3.3Å; K212-P274 PolarHBondContact NZ-O 2.87Å; K272-P274 WeakPolarHBondContact O-CD 3.42Å
275E86.8Confident94.8Very high150 Ų15049.8 Ų49.870%0.70125%0.252SS*.THydrogen-bonded Turntrans-71-44.9175.4-62.6-50.4122.700112.1K212 N273K212-E275 PolarHBondContact NZ-O 3.4Å; N273-E275 PolarHBondContact O-N 3.44Å; N273-E275 VanDerWaalsContact O-N 3.15Å; N273-E275 WeakPolarHBondContact OD1-CB 3.24Å; N273-E275 PolarHBondContact OD1-N 2.67Å
276C90.7Very high94.8Very high83 Ų8350.5 Ų50.556%0.56126%0.255SS*.THydrogen-bonded Turntrans-72.9-29.3177.2-67.30000113D271 N273D271-C276 WeakPolarHBondContact OD2-CB 3.44Å; N273-C276 HydrophobicContact CB-CB 4.16Å; N273-C276 PolarHBondContact ND2-SG 3.03Å; N273-C276 PolarHBondContact O-N 2.99Å
277R94.8Very high94.7Very high1 Ų153.4 Ų53.40%0.00428%0.275CS..SBendtrans-58.4127.6175.6-159.9-176-58.1146.27.8110E197 K212 I215 A269 D271 N273E197-R277 IonicContact OE1-CZ 3.37Å; E197-R277 IonicContact OE1-NH1 2.68Å; E197-R277 PolarHBondContact OE1-NH1 3.37Å; E197-R277 IonicContact OE1-NH2 2.88Å; E197-R277 IonicContact OE2-CZ 2.58Å; E197-R277 IonicContact OE2-NH1 3.12Å; E197-R277 IonicContact OE2-NH2 2.74Å; E197-R277 PolarHBondContact OE2-NH2 2.85Å; K212-R277 WeakPolarHBondContact CD-O 3.45Å; K212-R277 VanDerWaalsContact CE-O 3.27Å; K212-R277 WeakPolarHBondContact CE-O 3.47Å; K212-R277 PolarHBondContact NZ-O 3.35Å; K212-R277 WeakPolarHBondContact O-CD 3.34Å; K212-R277 PolarHBondContact O-NH1 3.02Å; I215-R277 HydrophobicContact CB-CG 4.36Å; I215-R277 HydrophobicContact CG2-CG 4Å; A269-R277 VanDerWaalsContact O-CD 3.23Å; A269-R277 WeakPolarHBondContact O-CD 3.23Å; A269-R277 WeakPolarHBondContact O-CG 3.43Å; D271-R277 HydrophobicContact CB-CB 4.19Å; D271-R277 HydrophobicContact CB-CG 4.45Å; D271-R277 VanDerWaalsContact O-CZ 3.26Å; D271-R277 PolarHBondContact O-NE 3.35Å; D271-R277 PolarHBondContact O-NH2 2.84Å; N273-R277 PolarHBondContact O-N 3.2Å
278P95.1Very high94.7Very high22 Ų2245.6 Ų45.614%0.14325%0.245CC..PPolyproline II helixtrans-69.7161.6-177.728.8-34.9000112.4K268 Q282 L283K268-P278 HydrophobicContact CB-CG 4.27Å; K268-P278 WeakPolarHBondContact O-CD 3.37Å; P278-Q282 VanDerWaalsContact CA-OE1 3.32Å; P278-Q282 HydrophobicContact CB-CB 3.93Å; P278-L283 HydrophobicContact CB-CD2 4.3Å; P278-L283 HydrophobicContact CB-CG 4.12Å; P278-L283 HydrophobicContact CG-CD1 4.05Å; P278-L283 HydrophobicContact CG-CD2 3.55Å; P278-L283 HydrophobicContact CG-CG 3.66Å
279S94.9Very high94.7Very high26 Ų2642.4 Ų42.418%0.18223%0.231CC..PPolyproline II helixtrans-80.4165.3169.871.60000112.3A281 Q282 L283S279-A281 VanDerWaalsContact C-N 3.28Å; S279-A281 PolarHBondContact O-N 2.88Å; S279-Q282 PolarHBondContact O-N 3.44Å; S279-Q282 PolarHBondContact OG-N 3.02Å; S279-Q282 PolarHBondContact OG-OE1 2.92Å; S279-L283 PolarHBondContact O-N 2.89Å
280A96.4Very high94.6Very high1 Ų147.7 Ų47.71%0.00825%0.254CS..Hα-helixtrans-54.6-44.2174.300000112L137 L140 N141 I215 Q282 L283 L284L137-A280 HydrophobicContact CD2-CB 4.2Å; L140-A280 HydrophobicContact CB-CB 4.19Å; N141-A280 HydrophobicContact CB-CB 3.92Å; I215-A280 HydrophobicContact CD1-CB 4Å; A280-Q282 VanDerWaalsContact C-N 3.32Å; A280-Q282 PolarHBondContact O-N 2.83Å; A280-L283 PolarHBondContact O-N 2.68Å; A280-L283 VanDerWaalsContact O-N 3.15Å; A280-L284 WeakPolarHBondContact O-CG 3.38Å; A280-L284 PolarHBondContact O-N 2.74Å
281A96.1Very high94.3Very high43 Ų4352.2 Ų52.236%0.35528%0.282SS..Hα-helixtrans-58-38.9175.100000113.6S279S279-A281 VanDerWaalsContact C-N 3.28Å; S279-A281 PolarHBondContact O-N 2.88Å
282Q96.8Very high94.3Very high123 Ų12351.1 Ų51.158%0.57528%0.277SS*.Hα-helixtrans-73-32.7177.3-71.4170.1-35.500112.2P278 S279 A280P278-Q282 VanDerWaalsContact CA-OE1 3.32Å; P278-Q282 HydrophobicContact CB-CB 3.93Å; S279-Q282 PolarHBondContact O-N 3.44Å; S279-Q282 PolarHBondContact OG-N 3.02Å; S279-Q282 PolarHBondContact OG-OE1 2.92Å; A280-Q282 VanDerWaalsContact C-N 3.32Å; A280-Q282 PolarHBondContact O-N 2.83Å
283L97.6Very high94.1Very high2 Ų254.9 Ų54.91%0.0131%0.306CS..Hα-helixtrans-75.8-27.3176.5-74.4177.2000113.4L137 I215 F265 P278 S279 A280 E285 H286 V289L137-L283 HydrophobicContact CD1-CB 3.9Å; L137-L283 HydrophobicContact CD2-CB 3.62Å; L137-L283 HydrophobicContact CD2-CD1 4.01Å; L137-L283 HydrophobicContact CD2-CG 4.48Å; L137-L283 HydrophobicContact CG-CB 4.43Å; I215-L283 HydrophobicContact CG2-CD1 3.51Å; F265-L283 HydrophobicContact CD2-CD2 4.13Å; F265-L283 HydrophobicContact CE1-CD1 4.45Å; F265-L283 HydrophobicContact CE2-CB 3.91Å; F265-L283 HydrophobicContact CE2-CD1 4.36Å; F265-L283 HydrophobicContact CE2-CD2 3.76Å; F265-L283 HydrophobicContact CE2-CG 4.22Å; F265-L283 HydrophobicContact CZ-CB 4.11Å; F265-L283 HydrophobicContact CZ-CD1 3.86Å; F265-L283 HydrophobicContact CZ-CD2 4.03Å; F265-L283 HydrophobicContact CZ-CG 4.22Å; P278-L283 HydrophobicContact CB-CD2 4.3Å; P278-L283 HydrophobicContact CB-CG 4.12Å; P278-L283 HydrophobicContact CG-CD1 4.05Å; P278-L283 HydrophobicContact CG-CD2 3.55Å; P278-L283 HydrophobicContact CG-CG 3.66Å; S279-L283 PolarHBondContact O-N 2.89Å; A280-L283 PolarHBondContact O-N 2.68Å; A280-L283 VanDerWaalsContact O-N 3.15Å; L283-E285 PolarHBondContact O-N 2.89Å; L283-H286 WeakPolarHBondContact O-CB 3.42Å; L283-H286 PolarHBondContact O-N 3.19Å; L283-V289 WeakPolarHBondContact O-CG2 3.01Å
284L97.3Very high94.4Very high18 Ų1854.6 Ų54.69%0.09431%0.309CS..Hα-helixtrans-59.1-27.3172-74171.9000113R134 L137 E138 N141 A280 H286R134-L284 PolarHBondContact NH1-O 3.17Å; L137-L284 HydrophobicContact CB-CD2 3.41Å; L137-L284 VanDerWaalsContact CB-CD2 3.41Å; L137-L284 HydrophobicContact CB-CG 3.89Å; L137-L284 HydrophobicContact CD1-CD2 4.22Å; L137-L284 HydrophobicContact CG-CD2 4.48Å; E138-L284 HydrophobicContact CG-CD1 4.18Å; E138-L284 HydrophobicContact CG-CD2 3.64Å; N141-L284 HydrophobicContact CB-CD1 4.3Å; A280-L284 WeakPolarHBondContact O-CG 3.38Å; A280-L284 PolarHBondContact O-N 2.74Å; L284-H286 VanDerWaalsContact C-N 3.33Å
285E97.5Very high94.6Very high112 Ų11254.6 Ų54.652%0.52331%0.308SS..THydrogen-bonded Turntrans-84.8-1.6176.8-69.4-63.2113.300113.7L283 K290L283-E285 PolarHBondContact O-N 2.89Å; E285-K290 WeakPolarHBondContact O-CD 3.27Å; E285-K290 WeakPolarHBondContact OE2-CE 3.38Å; E285-K290 IonicContact OE2-NZ 3.32Å; E285-K290 PolarHBondContact OE2-NZ 3.36Å
286H98.1Very high94.9Very high15 Ų1551.6 Ų51.67%0.06929%0.29CS..SBendtrans-70.7139.3-179-156.3-102.4000112D261 D264 F265 K268 L283 L284 F288 V289 K290D261-H286 PolarHBondContact O-CE1 2.91Å; D264-H286 IonicContact OD2-NE2 2.95Å; F265-H286 HydrophobicContact CD2-CB 3.89Å; F265-H286 AromaticContact CD2-CG 3.79Å; F265-H286 AromaticContact CD2-ND1 3.62Å; F265-H286 HydrophobicContact CE2-CB 4.26Å; K268-H286 WeakPolarHBondContact CD-NE2 3.49Å; K268-H286 PolarHBondContact NZ-CD2 3.4Å; K268-H286 PolarHBondContact NZ-NE2 2.69Å; L283-H286 WeakPolarHBondContact O-CB 3.42Å; L283-H286 PolarHBondContact O-N 3.19Å; L284-H286 VanDerWaalsContact C-N 3.33Å; H286-F288 WeakPolarHBondContact ND1-CB 3.45Å; H286-F288 PolarHBondContact O-N 2.73Å; H286-V289 HydrophobicContact CB-CG2 4.32Å; H286-V289 PolarHBondContact O-N 3.38Å; H286-K290 VanDerWaalsContact O-CB 3.26Å; H286-K290 WeakPolarHBondContact O-CB 3.26Å; H286-K290 PolarHBondContact O-N 2.99Å
287P97.1Very high95.1Very high69 Ų6948.9 Ų48.945%0.44827%0.271SS..Hα-helixtrans-51.7-29.5177.8-30.337000115R130 D261 V289R130-P287 PolarHBondContact NH2-O 2.9Å; D261-P287 WeakPolarHBondContact OD2-CB 3.46Å; P287-V289 VanDerWaalsContact C-N 3.29Å; P287-V289 PolarHBondContact O-N 2.75Å
288F97.6Very high95.1Very high0 Ų048.9 Ų48.90%027%0.271CS..Hα-helixtrans-61.3-28.4174.7-173.1-116.7000114.4E126 I129 R130 C133 D261 F262 F265 H286E126-F288 HydrophobicContact CG-CE2 3.76Å; E126-F288 HydrophobicContact CG-CZ 4.35Å; I129-F288 HydrophobicContact CG2-CE1 4.42Å; I129-F288 HydrophobicContact CG2-CZ 4.03Å; R130-F288 HydrophobicContact CG-CD2 3.81Å; R130-F288 HydrophobicContact CG-CE1 4.19Å; R130-F288 HydrophobicContact CG-CE2 3.32Å; R130-F288 HydrophobicContact CG-CG 4.41Å; R130-F288 HydrophobicContact CG-CZ 3.53Å; R130-F288 VanDerWaalsContact CG-O 3.32Å; R130-F288 WeakPolarHBondContact CG-O 3.44Å; R130-F288 PolarHBondContact NE-O 2.98Å; R130-F288 PolarHBondContact NH1-O 3.31Å; R130-F288 PolarHBondContact NH2-O 2.99Å; R130-F288 VanDerWaalsContact NH2-O 3.08Å; C133-F288 HydrophobicContact CB-CE1 4.1Å; D261-F288 HydrophobicContact CB-CB 4.17Å; D261-F288 HydrophobicContact CB-CD2 4.43Å; F262-F288 HydrophobicContact CB-CD2 3.7Å; F262-F288 HydrophobicContact CB-CE2 3.38Å; F262-F288 HydrophobicContact CB-CZ 4.01Å; F262-F288 HydrophobicContact CD1-CE2 4.34Å; F262-F288 HydrophobicContact CD1-CZ 4.35Å; F262-F288 HydrophobicContact CD2-CD1 4.32Å; F262-F288 HydrophobicContact CD2-CD2 4.3Å; F262-F288 AromaticContact CD2-CE1 3.66Å; F262-F288 HydrophobicContact CD2-CE1 3.66Å; F262-F288 AromaticContact CD2-CE2 3.65Å; F262-F288 HydrophobicContact CD2-CE2 3.65Å; F262-F288 AromaticContact CD2-CZ 3.28Å; F262-F288 HydrophobicContact CD2-CZ 3.28Å; F262-F288 HydrophobicContact CE2-CE1 4.08Å; F262-F288 AromaticContact CE2-CZ 3.81Å; F262-F288 HydrophobicContact CE2-CZ 3.81Å; F262-F288 HydrophobicContact CG-CD2 4.26Å; F262-F288 HydrophobicContact CG-CE1 4.4Å; F262-F288 AromaticContact CG-CE2 3.53Å; F262-F288 HydrophobicContact CG-CE2 3.53Å; F262-F288 AromaticContact CG-CZ 3.62Å; F262-F288 HydrophobicContact CG-CZ 3.62Å; F265-F288 HydrophobicContact CB-CB 4.04Å; F265-F288 HydrophobicContact CB-CD1 3.99Å; F265-F288 HydrophobicContact CB-CG 4.13Å; F265-F288 HydrophobicContact CD1-CD1 4.32Å; F265-F288 HydrophobicContact CD2-CB 4.02Å; F265-F288 AromaticContact CD2-CD1 3.81Å; F265-F288 HydrophobicContact CD2-CD1 3.81Å; F265-F288 HydrophobicContact CD2-CG 4.34Å; F265-F288 HydrophobicContact CE2-CD1 4.4Å; F265-F288 HydrophobicContact CG-CB 4.33Å; F265-F288 AromaticContact CG-CD1 3.77Å; F265-F288 HydrophobicContact CG-CD1 3.77Å; F265-F288 HydrophobicContact CG-CG 4.34Å; H286-F288 WeakPolarHBondContact ND1-CB 3.45Å; H286-F288 PolarHBondContact O-N 2.73Å
289V96.6Very high95Very high0 Ų049.5 Ų49.50%027%0.273CS..Hα-helixtrans-127.1-23.1-178.2-67.80000114.3C133 R134 L137 F265 L283 H286 P287 T291 V292C133-V289 HydrophobicContact CB-CG1 3.84Å; C133-V289 VanDerWaalsContact SG-CG1 3.59Å; R134-V289 HydrophobicContact CB-CB 4.1Å; R134-V289 HydrophobicContact CB-CG1 4.21Å; L137-V289 HydrophobicContact CD1-CG1 4.29Å; L137-V289 HydrophobicContact CD1-CG2 3.89Å; F265-V289 HydrophobicContact CE2-CG2 4.43Å; L283-V289 WeakPolarHBondContact O-CG2 3.01Å; H286-V289 HydrophobicContact CB-CG2 4.32Å; H286-V289 PolarHBondContact O-N 3.38Å; P287-V289 VanDerWaalsContact C-N 3.29Å; P287-V289 PolarHBondContact O-N 2.75Å; V289-T291 PolarHBondContact O-N 2.9Å; V289-T291 VanDerWaalsContact O-N 3.12Å; V289-V292 WeakPolarHBondContact O-CB 3.4Å; V289-V292 WeakPolarHBondContact O-CG2 3.43Å; V289-V292 PolarHBondContact O-N 2.8Å
290K94.6Very high94.8Very high112 Ų11251 Ų5149%0.48728%0.277SS..Hα-helixtrans-58.9-28.1-173.4179.8166.7179163.70114.6E285 H286E285-K290 WeakPolarHBondContact O-CD 3.27Å; E285-K290 WeakPolarHBondContact OE2-CE 3.38Å; E285-K290 IonicContact OE2-NZ 3.32Å; E285-K290 PolarHBondContact OE2-NZ 3.36Å; H286-K290 VanDerWaalsContact O-CB 3.26Å; H286-K290 WeakPolarHBondContact O-CB 3.26Å; H286-K290 PolarHBondContact O-N 2.99Å
291T91.4Very high94.5Very high97 Ų9751 Ų5160%0.59528%0.277SS*.THydrogen-bonded Turntrans-95.86.5-179.9570000114.1R130 V289 T293R130-T291 PolarHBondContact NH2-OG1 2.92Å; V289-T291 PolarHBondContact O-N 2.9Å; V289-T291 VanDerWaalsContact O-N 3.12Å; T291-T293 PolarHBondContact O-N 2.86Å
292V93Very high94.3Very high33 Ų3349 Ų4920%0.226%0.261CS..  trans-78.5113.7177.7178.50000109.8R130 V131 R134 V289R130-V292 HydrophobicContact CB-CG2 3.94Å; V131-V292 HydrophobicContact CG2-CG1 4Å; R134-V292 HydrophobicContact CB-CB 4.23Å; R134-V292 HydrophobicContact CB-CG1 4.24Å; R134-V292 HydrophobicContact CG-CB 4.17Å; R134-V292 HydrophobicContact CG-CG1 4.31Å; V289-V292 WeakPolarHBondContact O-CB 3.4Å; V289-V292 WeakPolarHBondContact O-CG2 3.43Å; V289-V292 PolarHBondContact O-N 2.8Å
293T88.1Confident93.8Very high142 Ų14244.1 Ų44.187%0.87124%0.241SC*.  trans-122.7-5-178.855.90000114.1T291T291-T293 PolarHBondContact O-N 2.86Å
294S92.9Very high93.3Very high66 Ų6644.8 Ų44.846%0.46224%0.244SC..  trans-138.7142.5179.9-179.80000110.3V131 R296V131-S294 WeakPolarHBondContact CG2-O 3.15Å; S294-R296 WeakPolarHBondContact OG-CB 3.42Å; S294-R296 PolarHBondContact OG-N 3.26Å
295N93.4Very high92.6Very high32 Ų3244.7 Ų44.717%0.17125%0.246CC..  trans-95.23.617666.1-8000113V131 E163 G164 D165 P297 L298 I299V131-N295 HydrophobicContact CG1-CB 3.96Å; E163-N295 PolarHBondContact O-ND2 3.16Å; G164-N295 WeakPolarHBondContact O-CB 3.39Å; D165-N295 PolarHBondContact OD1-ND2 2.62Å; N295-P297 VanDerWaalsContact C-N 3.31Å; N295-P297 VanDerWaalsContact O-N 3.1Å; N295-L298 PolarHBondContact O-N 3.01Å; N295-I299 PolarHBondContact O-N 2.9Å
296R92.9Very high91.8Very high86 Ų8644.4 Ų44.433%0.32524%0.243SC..Hα-helixtrans-44.2-41.8180-177.6-177.4-179.688.822.3115.1S294 L298 I299 E300 D588S294-R296 WeakPolarHBondContact OG-CB 3.42Å; S294-R296 PolarHBondContact OG-N 3.26Å; R296-L298 PolarHBondContact O-N 3.06Å; R296-L298 VanDerWaalsContact O-N 3.12Å; R296-I299 WeakPolarHBondContact O-CB 3.27Å; R296-I299 PolarHBondContact O-N 3.27Å; R296-E300 HydrophobicContact CG-CG 4.34Å; R296-E300 IonicContact CZ-OE1 3.6Å; R296-E300 IonicContact NE-OE1 3.77Å; R296-E300 PolarHBondContact NE-OE1 3.43Å; R296-E300 IonicContact NH2-OE1 3.13Å; R296-E300 PolarHBondContact NH2-OE1 2.74Å; R296-E300 PolarHBondContact O-N 2.72Å; R296-D588 IonicContact CZ-OD2 3.13Å; R296-D588 IonicContact NH1-OD2 3.78Å; R296-D588 PolarHBondContact NH1-OD2 3.01Å
297P94.8Very high90.8Very high27 Ų2744.3 Ų44.318%0.17525%0.245CC..Hα-helixtrans-57.8-26.2177.1-26.535.6000114.6P127 Q128 V131 N295 L301P127-P297 HydrophobicContact CB-CB 4.29Å; P127-P297 HydrophobicContact CB-CG 4.2Å; Q128-P297 HydrophobicContact CG-CB 3.79Å; Q128-P297 VanDerWaalsContact CG-O 3.26Å; Q128-P297 WeakPolarHBondContact CG-O 3.29Å; Q128-P297 PolarHBondContact NE2-O 2.91Å; V131-P297 HydrophobicContact CG2-CB 4.45Å; V131-P297 HydrophobicContact CG2-CG 4.19Å; N295-P297 VanDerWaalsContact C-N 3.31Å; N295-P297 VanDerWaalsContact O-N 3.1Å; P297-L301 WeakPolarHBondContact O-CB 3.48Å; P297-L301 PolarHBondContact O-N 3.03Å; P297-L301 VanDerWaalsContact O-N 3.11Å
298L94.6Very high89Confident0 Ų049.3 Ų49.30%026%0.262CS..Hα-helixtrans-87.3-30.1175-61-173.6000112.9Q128 V131 V132 L160 G164 I166 N295 R296 E300 L301 V302Q128-L298 HydrophobicContact CB-CD2 3.95Å; Q128-L298 HydrophobicContact CG-CD2 4.15Å; V131-L298 HydrophobicContact CB-CD1 3.89Å; V131-L298 HydrophobicContact CB-CG 3.97Å; V131-L298 HydrophobicContact CG1-CD1 3.43Å; V131-L298 VanDerWaalsContact CG1-CD1 3.43Å; V131-L298 HydrophobicContact CG1-CG 3.83Å; V132-L298 HydrophobicContact CG2-CD1 3.75Å; V132-L298 HydrophobicContact CG2-CD2 3.89Å; V132-L298 HydrophobicContact CG2-CG 4.47Å; L160-L298 HydrophobicContact CD2-CD1 4.24Å; G164-L298 WeakPolarHBondContact O-CB 3.28Å; G164-L298 WeakPolarHBondContact O-CD1 3.39Å; I166-L298 HydrophobicContact CG2-CD1 4.13Å; N295-L298 PolarHBondContact O-N 3.01Å; R296-L298 PolarHBondContact O-N 3.06Å; R296-L298 VanDerWaalsContact O-N 3.12Å; L298-E300 VanDerWaalsContact C-N 3.3Å; L298-L301 HydrophobicContact CD2-CD2 3.88Å; L298-L301 WeakPolarHBondContact O-CB 3.5Å; L298-L301 PolarHBondContact O-N 2.92Å; L298-V302 WeakPolarHBondContact O-CG2 3.48Å; L298-V302 PolarHBondContact O-N 2.89Å
299I92.9Very high87Confident36 Ų3652.2 Ų52.219%0.18528%0.279CS..Hα-helixtrans-59.9-46.9167.5-52.6178.6000109.1E163 N295 R296 L301 V302 A303 V587E163-I299 WeakPolarHBondContact O-CG1 3.37Å; N295-I299 PolarHBondContact O-N 2.9Å; R296-I299 WeakPolarHBondContact O-CB 3.27Å; R296-I299 PolarHBondContact O-N 3.27Å; I299-L301 VanDerWaalsContact C-N 3.35Å; I299-L301 PolarHBondContact O-N 3.06Å; I299-V302 PolarHBondContact O-N 3.34Å; I299-A303 VanDerWaalsContact O-CB 3.3Å; I299-A303 WeakPolarHBondContact O-CB 3.29Å; I299-A303 PolarHBondContact O-N 3.5Å; I299-V587 HydrophobicContact CG2-CG1 3.83Å
300E90.9Very high84.7Confident57 Ų5756.7 Ų56.727%0.26630%0.302SS..Hα-helixtrans-64.4-36.1176.1-70.3169.9168.100112.1R296 L298 E304 V587 L592R296-E300 HydrophobicContact CG-CG 4.34Å; R296-E300 IonicContact CZ-OE1 3.6Å; R296-E300 IonicContact NE-OE1 3.77Å; R296-E300 PolarHBondContact NE-OE1 3.43Å; R296-E300 IonicContact NH2-OE1 3.13Å; R296-E300 PolarHBondContact NH2-OE1 2.74Å; R296-E300 PolarHBondContact O-N 2.72Å; L298-E300 VanDerWaalsContact C-N 3.3Å; E300-E304 VanDerWaalsContact O-CB 3.27Å; E300-E304 WeakPolarHBondContact O-CB 3.3Å; E300-E304 PolarHBondContact O-N 3.47Å; E300-V587 HydrophobicContact CG-CG2 4.26Å; E300-L592 HydrophobicContact CG-CD1 4.35Å
301L91.5Very high82.9Confident0 Ų056.7 Ų56.70%030%0.303CS..Hα-helixtrans-63-49.4173.5-174.369.5000112.4L120 L124 L160 P297 L298 I299 A303 E304 A305L120-L301 HydrophobicContact CD1-CD1 3.44Å; L120-L301 VanDerWaalsContact CD1-CD1 3.44Å; L120-L301 HydrophobicContact CD1-CG 4.41Å; L124-L301 HydrophobicContact CD1-CD2 4.18Å; L124-L301 HydrophobicContact CD2-CD2 4.11Å; L124-L301 HydrophobicContact CG-CD2 3.99Å; L160-L301 HydrophobicContact CD1-CD2 4.16Å; P297-L301 WeakPolarHBondContact O-CB 3.48Å; P297-L301 PolarHBondContact O-N 3.03Å; P297-L301 VanDerWaalsContact O-N 3.11Å; L298-L301 HydrophobicContact CD2-CD2 3.88Å; L298-L301 WeakPolarHBondContact O-CB 3.5Å; L298-L301 PolarHBondContact O-N 2.92Å; I299-L301 VanDerWaalsContact C-N 3.35Å; I299-L301 PolarHBondContact O-N 3.06Å; L301-A303 VanDerWaalsContact C-N 3.32Å; L301-A303 PolarHBondContact O-N 3.42Å; L301-E304 PolarHBondContact O-N 3.14Å; L301-A305 WeakPolarHBondContact O-CB 3.21Å; L301-A305 PolarHBondContact O-N 2.65Å
302V90.3Very high81Confident3 Ų355.7 Ų55.72%0.01829%0.292CS..Hα-helixtrans-68.4-33.5-178.7173.10000111.1L160 L162 L298 I299 K306L160-V302 HydrophobicContact CB-CG2 3.91Å; L160-V302 HydrophobicContact CD1-CG2 3.62Å; L160-V302 HydrophobicContact CG-CG2 4.37Å; L162-V302 HydrophobicContact CD2-CG1 4.24Å; L298-V302 WeakPolarHBondContact O-CG2 3.48Å; L298-V302 PolarHBondContact O-N 2.89Å; I299-V302 PolarHBondContact O-N 3.34Å; V302-K306 HydrophobicContact CG1-CD 4.08Å; V302-K306 WeakPolarHBondContact O-CB 3.48Å; V302-K306 WeakPolarHBondContact O-CD 3.24Å; V302-K306 VanDerWaalsContact O-CG 3.3Å; V302-K306 WeakPolarHBondContact O-CG 3.25Å; V302-K306 PolarHBondContact O-N 2.97Å
303A87.3Confident79Confident20 Ų2059.9 Ų59.917%0.16531%0.312CS..Hα-helixtrans-70.8-42.7173.500000112I299 L301 K306 A307 F585 V587I299-A303 VanDerWaalsContact O-CB 3.3Å; I299-A303 WeakPolarHBondContact O-CB 3.29Å; I299-A303 PolarHBondContact O-N 3.5Å; L301-A303 VanDerWaalsContact C-N 3.32Å; L301-A303 PolarHBondContact O-N 3.42Å; A303-K306 PolarHBondContact O-N 3.06Å; A303-A307 PolarHBondContact O-N 3.47Å; A303-F585 HydrophobicContact CB-CB 4.29Å; A303-F585 HydrophobicContact CB-CD2 3.37Å; A303-F585 HydrophobicContact CB-CE2 3.74Å; A303-F585 HydrophobicContact CB-CG 3.95Å; A303-V587 HydrophobicContact CB-CG2 3.9Å
304E86Confident77.2Confident16 Ų1656.9 Ų56.98%0.07529%0.288CS..Hα-helixtrans-60.2-45.7173.9-171.7-169.2146.800111.4L120 R122 E300 L301 K306 A307 R583 F585L120-E304 HydrophobicContact CD2-CB 4.31Å; L120-E304 HydrophobicContact CD2-CG 3.73Å; R122-E304 IonicContact CZ-OE1 3.85Å; R122-E304 IonicContact CZ-OE2 3.54Å; R122-E304 IonicContact NE-OE1 2.65Å; R122-E304 PolarHBondContact NE-OE1 2.58Å; R122-E304 IonicContact NH2-OE1 3.83Å; R122-E304 PolarHBondContact NH2-OE1 3.13Å; R122-E304 IonicContact NH2-OE2 3.89Å; R122-E304 PolarHBondContact NH2-OE2 2.9Å; E300-E304 VanDerWaalsContact O-CB 3.27Å; E300-E304 WeakPolarHBondContact O-CB 3.3Å; E300-E304 PolarHBondContact O-N 3.47Å; L301-E304 PolarHBondContact O-N 3.14Å; E304-K306 PolarHBondContact O-N 3.46Å; E304-A307 WeakPolarHBondContact O-CB 3.47Å; E304-A307 PolarHBondContact O-N 2.84Å; E304-R583 WeakPolarHBondContact O-CD 3.37Å; E304-R583 PolarHBondContact O-NH1 2.83Å; E304-F585 HydrophobicContact CB-CD1 4.49Å; E304-F585 HydrophobicContact CB-CE1 3.77Å; E304-F585 HydrophobicContact CB-CZ 4.05Å; E304-F585 HydrophobicContact CG-CE1 4.17Å
305A83.4Confident74.8Confident15 Ų1557.6 Ų57.612%0.12429%0.287CS..Hα-helixtrans-65.4-23.9179.900000113.5N116 L120 L301N116-A305 WeakPolarHBondContact OD1-CB 3.38Å; L120-A305 HydrophobicContact CD1-CB 4.35Å; L120-A305 HydrophobicContact CD2-CB 4.17Å; L120-A305 HydrophobicContact CG-CB 4.2Å; L301-A305 WeakPolarHBondContact O-CB 3.21Å; L301-A305 PolarHBondContact O-N 2.65Å
306K79.9Confident72.6Confident106 Ų10661 Ų6146%0.46131%0.305SS..Hα-helixtrans-100.7-2.4178.1-68.3175.6179.4-1800114.3A109 V302 A303 E304A109-K306 WeakPolarHBondContact O-CE 3.49Å; A109-K306 PolarHBondContact O-NZ 2.89Å; V302-K306 HydrophobicContact CG1-CD 4.08Å; V302-K306 WeakPolarHBondContact O-CB 3.48Å; V302-K306 WeakPolarHBondContact O-CD 3.24Å; V302-K306 VanDerWaalsContact O-CG 3.3Å; V302-K306 WeakPolarHBondContact O-CG 3.25Å; V302-K306 PolarHBondContact O-N 2.97Å; A303-K306 PolarHBondContact O-N 3.06Å; E304-K306 PolarHBondContact O-N 3.46Å
307A78.8Confident70.3Confident13 Ų1366.7 Ų66.711%0.10733%0.327CS..SBendtrans-72.6139179.800000111.5A303 E304 R583 F585A303-A307 PolarHBondContact O-N 3.47Å; E304-A307 WeakPolarHBondContact O-CB 3.47Å; E304-A307 PolarHBondContact O-N 2.84Å; A307-R583 HydrophobicContact CB-CB 3.82Å; A307-R583 HydrophobicContact CB-CG 4.24Å; A307-F585 HydrophobicContact CB-CB 4.02Å; A307-F585 HydrophobicContact CB-CD1 3.85Å; A307-F585 HydrophobicContact CB-CG 4.38Å
308E57.7Low67.8Low175 Ų17574.8 Ų74.882%0.81836%0.362SS*.PPolyproline II helixtrans-66.9138.1168.8-166165.5-151.800109.8
309V56.2Low65.1Low60 Ų6083.2 Ų83.236%0.36440%0.401SS..EExtended strand (participates in β ladder)trans-102117.8-167.7-178.20000110.6E311 R583V309-E311 HydrophobicContact CG1-CG 4.11Å; V309-R583 HydrophobicContact CG2-CG 4.26Å
310M49.2Very low62.4Low94 Ų9485 Ų8546%0.46343%0.428SS..EExtended strand (participates in β ladder)trans-99.3131164.7-54.7-166-47.400109.9T582 K584M310-T582 PolarHBondContact O-N 3.19Å; M310-T582 VanDerWaalsContact O-N 3.1Å; M310-K584 HydrophobicContact CE-CD 4.28Å
311E54.8Low60Low112 Ų11291.6 Ų91.652%0.52346%0.459SS..EExtended strand (participates in β ladder)trans-110.3122.8176.9-54.2-158.1134.400110.8V309 R581V309-E311 HydrophobicContact CG1-CG 4.11Å; E311-R581 HydrophobicContact CG-CG 4.19Å; E311-R581 IonicContact OE1-CZ 3.28Å; E311-R581 IonicContact OE1-NE 2.99Å; E311-R581 PolarHBondContact OE1-NE 3.29Å; E311-R581 IonicContact OE1-NH2 2.73Å; E311-R581 PolarHBondContact OE1-NH2 3.13Å
312E52.2Low57.4Low77 Ų7799.8 Ų99.836%0.3650%0.503SS..EExtended strand (participates in β ladder)trans-121143.8173.5-63.6173.1148.700109.6R580E312-R580 HydrophobicContact CB-CB 4.39Å; E312-R580 PolarHBondContact N-O 2.97Å; E312-R580 PolarHBondContact O-N 3.33Å; E312-R580 IonicContact OE1-NH2 2.68Å; E312-R580 IonicContact OE2-CZ 2.71Å; E312-R580 VanDerWaalsContact OE2-CZ 3.23Å; E312-R580 IonicContact OE2-NE 3.85Å; E312-R580 PolarHBondContact OE2-NE 3.11Å; E312-R580 IonicContact OE2-NH2 3.29Å; E312-R580 PolarHBondContact OE2-NH2 3.3Å
313I50.4Low54.7Low121 Ų121106.8 Ų106.862%0.62154%0.541SS*.EExtended strand (participates in β ladder)trans-120.2111.2177.4-59.2174.6000107.8L579I313-L579 HydrophobicContact CG1-CD1 3.84Å
314E51Low52.1Low79 Ų79112.7 Ų112.737%0.36957%0.569SS.*EExtended strand (participates in β ladder)trans-98.5120.3175.4-72.1177.5139.700110N316 T578 R580E314-N316 PolarHBondContact O-N 3.19Å; E314-T578 PolarHBondContact N-O 3.35Å; E314-T578 VanDerWaalsContact N-O 3.16Å; E314-T578 PolarHBondContact O-N 2.99Å; E314-T578 VanDerWaalsContact O-N 3.15Å; E314-R580 VanDerWaalsContact CD-CZ 3.47Å; E314-R580 IonicContact OE1-CZ 2.8Å; E314-R580 VanDerWaalsContact OE1-CZ 3.24Å; E314-R580 IonicContact OE1-NH1 2.75Å; E314-R580 PolarHBondContact OE1-NH1 3.15Å; E314-R580 IonicContact OE1-NH2 3.84Å; E314-R580 PolarHBondContact OE1-NH2 2.85Å; E314-R580 WeakPolarHBondContact OE2-CD 3.32Å; E314-R580 IonicContact OE2-CZ 2.98Å; E314-R580 IonicContact OE2-NE 3.95Å; E314-R580 IonicContact OE2-NH1 2.75Å; E314-R580 PolarHBondContact OE2-NH1 3.2Å
315D43.3Very low49.6Very low80 Ų80116.7 Ų116.743%0.42860%0.595SS.*  trans-88.898.3174.6-93.927.2000109.2R317 K577D315-R317 PolarHBondContact O-N 3.38Å; D315-K577 VanDerWaalsContact OD1-CD 3.25Å; D315-K577 WeakPolarHBondContact OD1-CD 3.39Å; D315-K577 WeakPolarHBondContact OD1-CE 3.43Å; D315-K577 IonicContact OD1-NZ 3.26Å; D315-K577 PolarHBondContact OD1-NZ 3.02Å; D315-K577 WeakPolarHBondContact OD2-CE 3.49Å; D315-K577 IonicContact OD2-NZ 3.94Å; D315-K577 PolarHBondContact OD2-NZ 3.38Å
316N47.2Very low47.3Very low105 Ų105123.2 Ų123.256%0.56163%0.625SS**  trans-68.682.3172.5-71.618.9000110.4E314E314-N316 PolarHBondContact O-N 3.19Å
317R43.8Very low45Very low205 Ų205125.8 Ų125.877%0.77464%0.644SS**  trans-100.8114154.3-71-175.8177.3-173.90.1107.5D315 E319D315-R317 PolarHBondContact O-N 3.38Å; R317-E319 PolarHBondContact O-N 3.42Å
318E41.5Very low43.1Very low197 Ų197131.1 Ų131.192%0.92167%0.669SS**  trans-70.6111.7157.7-67.7177.2159.800106.5G320E318-G320 PolarHBondContact O-N 3.07Å
319E38.7Very low41.9Very low177 Ų177130.9 Ų130.983%0.82767%0.672SS**  trans-75.2102.8168.4-65-165.7146.300107.1R317 E321R317-E319 PolarHBondContact O-N 3.42Å; E319-E321 PolarHBondContact O-N 3.1Å
320G36.1Very low40.6Very low73 Ų73136.5 Ų136.575%0.75369%0.694SS**  trans-69.2116.4177.700000110.6E318 D322E318-G320 PolarHBondContact O-N 3.07Å; G320-D322 PolarHBondContact O-N 2.85Å
321E41.8Very low40.5Very low195 Ų195137 Ų13791%0.91171%0.705SS**  trans-65.7116.9166.8-62.1177.9143.300109.6E319E319-E321 PolarHBondContact O-N 3.1Å
322D35.1Very low39.6Very low172 Ų172137.2 Ų137.292%0.9272%0.716SS**  trans-132.7102.1158.4-96.2-37.6000106.1G320G320-D322 PolarHBondContact O-N 2.85Å
323D34.2Very low38.5Very low151 Ų151141.1 Ų141.181%0.80773%0.734SS**  trans-87.4127.4176.1173.628.3000110.2
324D33.2Very low37.6Very low143 Ų143143.7 Ų143.777%0.76574%0.741SS**  trans-156.194.7150.4-138.3-27.3000113.5
325T32.8Very low36.6Very low101 Ų101147.8 Ų147.862%0.6276%0.76SS**  trans71.4101138.2-56.50000121.1
326M35.9Very low36Very low151 Ų151150.3 Ų150.374%0.74478%0.781SS**  trans41.2133.3134.5-63.4-161.4119.300123.4L328M326-L328 HydrophobicContact CE-CD1 4.2Å; M326-L328 HydrophobicContact CE-CD2 4.16Å; M326-L328 HydrophobicContact CE-CG 4.11Å
327D31.1Very low34.9Very low161 Ų161150 Ų15086%0.86179%0.786SS**  -147.8166100.8-145.7-19.5000111.4
328L39Very low34.2Very low124 Ų124148.5 Ų148.565%0.64979%0.788SS**  trans-101.4150.9-166.6-70.5161.3000114.6M326M326-L328 HydrophobicContact CE-CD1 4.2Å; M326-L328 HydrophobicContact CE-CD2 4.16Å; M326-L328 HydrophobicContact CE-CG 4.11Å
329I32.1Very low33.7Very low170 Ų170146.2 Ų146.287%0.87279%0.787SS**  trans175.4138.1133.1-91153.2000111.3
330E30.1Very low33.4Very low178 Ų178142 Ų14283%0.83278%0.777SS**  trans-144.7167.6172.5-101.4-158.5156.200108.9
331P45.8Very low33.2Very low106 Ų106147.2 Ų147.269%0.68878%0.782SS**  cis-124.2-160.1-4138.1-19.8000109.1
332P37.4Very low32.5Very low116 Ų116143.8 Ų143.875%0.75377%0.774SS**  -149.8165.273.138.4-17.6000117.7
333E29.2Very low32.1Very low158 Ų158140.3 Ų140.374%0.73876%0.764SS**  trans-9.8137.5159.7-40.6173162.200120.4
334K31.4Very low32Very low176 Ų176140 Ų14077%0.76576%0.761SS**  178.2163.999.4-98.8172.6-171.7178.20117.1
335E29.4Very low31.8Very low164 Ų164140.4 Ų140.477%0.76676%0.763SS**  trans-14.9143.8172.9-61.4172.2-174.300121
336P30.1Very low31.8Very low133 Ų133144.5 Ų144.586%0.86478%0.775SS**  trans-84.8119.2169.433.7-30.9000111.9
337C24.9Very low31.6Very low99 Ų99144 Ų14467%0.66978%0.775SS**  trans-144.2132.3176.9-137.70000113.7
338Q28.9Very low31.7Very low174 Ų174143.7 Ų143.781%0.81377%0.769SS**  trans55.6100.4154.4-63.9172.323.300119.4
339T31.3Very low31.2Very low149 Ų149143.4 Ų143.491%0.91478%0.777SS**  trans-73.4134.1150.8-43.20000109.6
340S32.9Very low31.2Very low87 Ų87139.3 Ų139.361%0.60877%0.769SS**  trans-158.5125.5169.7-790000112.9
341Q31Very low31.1Very low184 Ų184138.3 Ų138.386%0.8677%0.769SS**  trans54159136.3-56.1179.6-13.600118.5
342T26.7Very low30.3Very low123 Ų123139.5 Ų139.576%0.75578%0.775SS**  cis-130.9172.617.150.10000110.2
343S26.8Very low30.7Very low99 Ų99139.4 Ų139.469%0.69277%0.774SS**  cis-141.8145.930.254.40000111.5
344L32.3Very low30.6Very low143 Ų143137.4 Ų137.475%0.74978%0.778SS**  54.3133.385.1-46.8174.5000112.9
345D29.8Very low31.1Very low152 Ų152135 Ų13581%0.81378%0.78SS**  cis-124.7-178.931.7-62-53.5000117.5
346E32.4Very low31Very low188 Ų188133.8 Ų133.888%0.87978%0.784SS**  trans-63172.8-176.6-58.4165.9151.500116.1
347D31.9Very low31.1Very low139 Ų139133.7 Ų133.774%0.74378%0.781SS**  cis-172.9160.2-34.9-174.640.7000106.4
348Q31.5Very low31.7Very low156 Ų156134.7 Ų134.773%0.72979%0.786SS**  167153.791.7-83.8-179.917.900111.6
349S30.1Very low31.9Very low117 Ų117131.8 Ų131.882%0.81879%0.785SS**  trans66.5142.9157.372.70000119.3
350A30.9Very low32.6Very low84 Ų84130 Ų13069%0.69478%0.776SS**  cis-159.9166.7-11.500000112.5
351D29.3Very low32.6Very low157 Ų157131.9 Ų131.984%0.8478%0.784SS**  trans70159.9159.2-64.1-21.2000122.4
352T28.5Very low33.4Very low132 Ų132128.3 Ų128.381%0.8178%0.776SS**  trans-156.2-168.7-155.646.60000110.5
353P45.4Very low33.6Very low113 Ų113129.8 Ų129.873%0.73478%0.779SS**  -127.2-175-54.135.1-19.7000112.6
354S27.1Very low34.5Very low117 Ų117130.8 Ų130.882%0.81878%0.783SS**  trans-156.3158.3151.5-88.60000112.7
355P41.7Very low34.5Very low125 Ų125134.8 Ų134.881%0.81279%0.788SS**  trans-116170.9-141.341.5-34.8000117.9
356T27.5Very low34.5Very low139 Ų139138.6 Ų138.685%0.85379%0.791SS**  trans-92.1151.1-176.5-43.70000114.3
357T32Very low34.4Very low130 Ų130137 Ų13780%0.79879%0.788SS**  trans-80.3152175.6-21.10000114.4
358P38.3Very low34.2Very low121 Ų121135.3 Ų135.379%0.78679%0.793SS**  trans-120.9158160.937.8-27.7000115.1
359S32.4Very low34Very low112 Ų112139.4 Ų139.478%0.78380%0.802SS**  trans-101.2168.8163.5-125.40000109.5
360P47Very low34.6Very low111 Ų111139.1 Ų139.172%0.72180%0.797SS**  -159164.65543.3-20.7000120.6
361V31.3Very low34.5Very low127 Ų127138.9 Ų138.977%0.7780%0.795SS**  33.6146.2124.9-169.60000121.2
362P48.3Very low34.5Very low109 Ų109137.1 Ų137.171%0.70879%0.79SS**  cis-140.9-179.4-25.243.4-24.8000118.2
363L31.1Very low34.5Very low154 Ų154137.1 Ų137.181%0.80679%0.79SS**  trans18.4152.5143.3-73.1168.7000123.5
364P46Very low33.7Very low120 Ų120136.1 Ų136.178%0.77979%0.792SS**  cis-156.115847.742.3-19.9000123.2
365R32.4Very low33.7Very low228 Ų228139.1 Ų139.186%0.8679%0.793SS**  trans10.5138.1147.9-64.5177169.7176.5-3.3124.1
366R29.3Very low33.1Very low232 Ų232140.7 Ų140.788%0.87579%0.789SS**  -167.4124.5112.3-101-164165.2173.9-4.8109.7
367L29.6Very low33.3Very low154 Ų154140.9 Ų140.981%0.80678%0.78SS**  95.9106.966.8-88.2-171.4000114.8
368A27.7Very low33.1Very low103 Ų103145.4 Ų145.485%0.85178%0.783SS**  trans-159.2137.8146.200000112
369R28.3Very low32.6Very low242 Ų242144 Ų14491%0.91378%0.781SS**  trans-163.1165.2170.8-122.8-164.6176.9-171.30.6105.4
370P41.7Very low32.4Very low111 Ų111143.1 Ų143.172%0.72178%0.78SS**  cis-150.8-171.54542.3-20.5000117
371A30.2Very low31.6Very low79 Ų79144.4 Ų144.465%0.65379%0.786SS**  trans70.2147.4140.500000121.3
372T29.6Very low31.9Very low121 Ų121143.8 Ų143.874%0.74279%0.785SS**  cis-166.7147.7-1422.10000112.8
373T27.4Very low31.1Very low132 Ų132145.4 Ų145.481%0.8179%0.792SS**  trans64.2152.1142.456.10000124.9
374A28.6Very low31.4Very low92 Ų92143.7 Ų143.776%0.7679%0.79SS**  trans80.2156.7155.900000119.8
375E27.6Very low30.6Very low179 Ų179145.8 Ų145.884%0.83679%0.794SS**  cis-166.2149.1-40.9-158.4149.8-126.400109.7
376E29.4Very low31Very low159 Ų159140.9 Ų140.974%0.74379%0.792SS**  trans25.8157.8165.3-67.3-160.7126.400127.2
377H31Very low31Very low143 Ų143141.4 Ų141.466%0.66279%0.794SS**  trans90.3106.5148.4-80.5-32.8000124.9
378R27.3Very low31.2Very low225 Ų225144 Ų14485%0.84980%0.799SS**  60.7114.2127.4-80.5-178.8169.1165.2-2.4123.1
379A27.6Very low31.2Very low91 Ų91143.9 Ų143.975%0.75280%0.798SS**  89.4106.3118.300000123.4
380A29Very low31.3Very low93 Ų93138.6 Ų138.677%0.76979%0.792SS**  85.3168.912500000122.5
381V30.2Very low30.4Very low139 Ų139139 Ų13984%0.84280%0.798SS**  trans72.6159174.7-112.20000116.7
382P37.4Very low30.5Very low114 Ų114143.3 Ų143.374%0.7480%0.804SS**  -129.2175-101.643.8-29.2000116.5
383V32.2Very low30.4Very low143 Ų143147 Ų14787%0.86781%0.81SS**PPolyproline II helixtrans-103.4134.6171.7-178.30000110.9
384P37Very low30.5Very low117 Ų117148 Ų14876%0.7681%0.81SS**PPolyproline II helixtrans-93.3150.8-178.735.4-34.3000114.7
385L29.9Very low31.1Very low165 Ų165149.1 Ų149.186%0.86481%0.81SS**PPolyproline II helixtrans-90.4141.5172.6-73.5161.7000112.1
386P40.7Very low31.2Very low125 Ų125149.7 Ų149.781%0.81281%0.813SS**PPolyproline II helixtrans-70.9152.6162-15.130.7000112.2
387R28.2Very low31.3Very low242 Ų242150.6 Ų150.691%0.91382%0.817SS**  trans-117.6148.6171.9-80.4-177.8170.1177.3-3.2111.1
388F34.8Very low31.1Very low208 Ų208150.4 Ų150.491%0.91283%0.825SS**  trans-63.4149.7163.3-76.1-94.3000111.8
389A26.6Very low30.9Very low101 Ų101143.3 Ų143.384%0.83582%0.822SS**  trans-143.8142.8162.400000109.8
390V30.3Very low30.9Very low132 Ų132142.6 Ų142.680%0.882%0.824SS**  trans-126.7139.4179.2176.60000108.5
391S24.3Very low30.8Very low120 Ų120149 Ų14984%0.83983%0.828SS**  trans-155.6147.9161.6-148.80000112.3
392H31.4Very low30.7Very low168 Ų168150 Ų15078%0.77883%0.828SS**  trans-90.3156.1177.9-68.8-105.5000112
393K26.9Very low30.2Very low199 Ų199148.7 Ų148.787%0.86583%0.827SS**  trans-179.5125.1130-102.6166.2-178.2-1770113.4
394D29.3Very low29.9Very low153 Ų153149.3 Ų149.382%0.81883%0.825SS**  trans-92.3163.6146.8-54.4-75.2000108.2
395P41.8Very low29.5Very low116 Ų116152 Ų15275%0.75383%0.827SS**  -153.6154.880.539.7-19.9000119
396E29.6Very low29.4Very low191 Ų191149 Ų14989%0.89382%0.816SS**  trans68.6172.9139.7-70.9-173.3169.200123.9
397E31.3Very low28.8Very low177 Ų177149.6 Ų149.683%0.82781%0.812SS**  trans-93.5172.4-150.3-45.4178.9114.700116
398V26.5Very low28.7Very low139 Ų139145.5 Ų145.584%0.84280%0.803SS**  173.7121.3109.61550000113.9
399G24.9Very low28.3Very low76 Ų76140.8 Ų140.878%0.78480%0.796SS**  70.5101.5123.900000125.6
400G25.7Very low28.4Very low76 Ų76142.5 Ų142.578%0.78479%0.786SS**  trans87.2173.8137.400000119.4
401R28.3Very low28.3Very low227 Ų227144 Ų14486%0.85778%0.782SS**  cis-172.3143.9-14.9-129.3-170.5-161.3-143.37.4111.1
402L27.1Very low28.5Very low161 Ų161141.5 Ų141.584%0.84377%0.769SS**  trans64.3163.3164.7-52171000115.3
403A26.9Very low28.4Very low87 Ų87142.2 Ų142.272%0.71977%0.772SS**  cis-140.7147.2-15.300000105.9
404D27.3Very low28.6Very low155 Ų155137 Ų13783%0.82976%0.761SS**  70.913968.6-141.2-5.6000115.5
405E28.4Very low28.6Very low173 Ų173138.5 Ų138.581%0.80876%0.763SS**  trans60.7152.5178.6-68.8-160.3146.400120.4
406V26.5Very low28Very low104 Ų104136.7 Ų136.763%0.6376%0.758SS**  cis-169.4162.7-29.672.20000110.8
407L29.6Very low28.1Very low137 Ų137133.2 Ų133.272%0.71776%0.755SS**  trans65.1162161-62-178.8000118.8
408E25.6Very low27.9Very low156 Ų156131.5 Ų131.573%0.72976%0.756SS**  cis-171.6176.4-30.7-176.3161.3-115.700109
409S26.6Very low28.2Very low109 Ų109134.2 Ų134.276%0.76276%0.757SS**  trans86.7151.4153.280.10000119.6
410E28.8Very low28.3Very low136 Ų136137.7 Ų137.764%0.63676%0.763SS**  cis-174.7143.2-40.6-102.2-117.6111.300108.6
411K26.9Very low28.5Very low164 Ų164139.7 Ų139.771%0.71377%0.765SS**  trans53170.2149.1-71.1-167.7-179.274.60120.4
412A29.9Very low28.6Very low67 Ų67134.8 Ų134.855%0.55477%0.766SS**  cis-169.3169.7-38.300000109
413E28.6Very low28.8Very low183 Ų183132.9 Ų132.986%0.85577%0.766SS**  trans68.2155151-79.8162.5-140.900118.5
414S31.3Very low28.8Very low91 Ų91136 Ų13664%0.63677%0.771SS**  cis-164.2175.5-5.241.80000113.5
415E28.3Very low29.2Very low184 Ų184133.7 Ų133.786%0.8677%0.767SS**  trans83.5157.6155.9-55-159.5176.500122.1
416A30.9Very low29.3Very low77 Ų77128.5 Ų128.564%0.63676%0.76SS**  cis-173.8158.7-43.900000112.5
417S29.8Very low29.6Very low118 Ų118131.1 Ų131.183%0.82577%0.768SS**  trans71.7161.4163.6-50.70000117.7
418T28.8Very low29.8Very low141 Ų141132.7 Ų132.787%0.86577%0.772SS**  cis-132.4176.411.244.20000114.5
419K31.3Very low30.2Very low196 Ų196133 Ų13385%0.85278%0.778SS**  trans-102.8158.4-179.6-48.4168.3-177.9173.70113.2
420T28.4Very low30.3Very low149 Ų149130.8 Ų130.891%0.91477%0.773SS**  trans-159.1155.7145.93.80000110.2
421S29.7Very low30.4Very low118 Ų118133.9 Ų133.983%0.82579%0.785SS**  trans-163.1137.4-17958.70000114.7
422S28.8Very low30.3Very low125 Ų125133.1 Ų133.187%0.87479%0.787SS**  trans-161.7151.2167.156.50000114.1
423S32.5Very low30.2Very low121 Ų121135.8 Ų135.885%0.84680%0.796SS**  trans-98.8166.8172.5-420000111.4
424D27.5Very low30.9Very low153 Ų153132.9 Ų132.982%0.81879%0.793SS**  -170.7171.9117.1-143.5-22.1000113.2
425S34.3Very low30.8Very low106 Ų106134.4 Ų134.474%0.74180%0.799SS**  trans-78.8-178.6166.461.40000112.6
426G32.1Very low31.1Very low64 Ų64132.9 Ų132.966%0.6679%0.793SS**  cis171.6-157.13.800000110.8
427I32.1Very low31.2Very low159 Ų159136.5 Ų136.582%0.81580%0.797SS**  trans97.8105.6161.6-54.4172.4000120.4
428E33.4Very low31.1Very low169 Ų169139.8 Ų139.879%0.7980%0.8SS**  51.8125.1129.9-55.2-176.216200127.1
429D33.7Very low31.5Very low162 Ų162140.7 Ų140.787%0.86679%0.794SS**  trans47.5133.6130.6-77.9-67.6000127
430G29.9Very low31.5Very low63 Ų63139.2 Ų139.265%0.64979%0.787SS**  134.8104.799.200000122.5
431K29Very low31.6Very low202 Ų202136.5 Ų136.588%0.87878%0.781SS**  trans67.8167.2139.7-118.4174.2179.5174.50118.1
432I25.7Very low31.7Very low148 Ų148134.7 Ų134.776%0.75977%0.773SS**  cis-143.4161.71-30.4163.3000109.9
433T27.7Very low32Very low122 Ų122135.8 Ų135.875%0.74877%0.768SS**  trans-92.8172.9162.549.50000113.5
434P43.9Very low31.7Very low122 Ų122137.3 Ų137.379%0.79276%0.761SS**  trans-130.1-143.213437.8-25.7000113.3
435T29.4Very low31.9Very low124 Ų124135.8 Ų135.876%0.76176%0.758SS**  trans-148.4-170.9-155.951.30000114.5
436M33.1Very low32.5Very low151 Ų151136.5 Ų136.574%0.74476%0.76SS**  trans108.8131.2160.6-59.3-170.388.600118.1
437E33.8Very low32.3Very low153 Ų153142.1 Ų142.172%0.71577%0.769SS**  cis-165.1-177.9-18.9-144.1152.3-115.200114.6
438E28.6Very low32.2Very low188 Ų188142 Ų14288%0.87977%0.77SS**  trans92.6146.9166.1-56.8-153.1126.400121.6
439E35.7Very low32Very low159 Ų159140.7 Ų140.774%0.74376%0.764SS**  trans-100.2-174.2-170.7-58.2-168.9100.900112.8
440K32Very low32Very low165 Ų165143.2 Ų143.272%0.71776%0.761SS**  cis-171.1144.326.7-151.3-173.7-165.8840114.9
441A31.5Very low32Very low93 Ų93145.9 Ų145.977%0.76977%0.768SS**  trans60.7150151.600000121.8
442A32Very low32.5Very low80 Ų80141.8 Ų141.866%0.66176%0.762SS**  cis-171.8162.7-19.700000112.6
443L33.6Very low33.6Very low147 Ų147140.3 Ų140.377%0.7776%0.762SS**  trans63.5150.3171.6-75.365.1000117
444E27.7Very low33.6Very low153 Ų153140.5 Ų140.572%0.71577%0.768SS**  cis-158.9117.3-16-105.6166.3-172.100105.5
445T31.3Very low32.7Very low122 Ų122144 Ų14475%0.74877%0.774SS**  67.6156.581.463.70000117.2
446P47.2Very low32.6Very low121 Ų121146.7 Ų146.779%0.78678%0.78SS**  -113.8-127-51.825.2-4.3000110.1
447E27.9Very low32.3Very low182 Ų182146.8 Ų146.885%0.8579%0.789SS**  cis-139.5160.34.1-83.1-168.8116.100110.7
448N29.5Very low32Very low157 Ų157143.9 Ų143.984%0.8479%0.791SS**  trans-167163.2172.3-140.710.6000109.6
449E29.9Very low31.9Very low140 Ų140142.2 Ų142.265%0.65478%0.783SS**  cis-144.1-132.10.9-161-135.2-118.600109.9
450R32.1Very low31.6Very low215 Ų215142.7 Ų142.781%0.81178%0.783SS**  trans-64.9166.9169.6-73165155172.5-6.5113.7
451P31Very low31.3Very low120 Ų120141.7 Ų141.778%0.77979%0.785SS**  trans-128.4148.6138.637.4-27.9000114.5
452P39Very low31.1Very low116 Ų116143.8 Ų143.875%0.75378%0.783SS**  trans-105-164.3154.438.7-27.9000110.3
453P49Very low30.7Very low117 Ų117144.6 Ų144.676%0.7678%0.784SS**  -118.1172.3-6438.3-25.8000112
454S26.6Very low30.4Very low125 Ų125146.1 Ų146.187%0.87479%0.789SS**  trans-143.4151.7171.3-66.30000113.2
455E26.9Very low30.6Very low197 Ų197145.8 Ų145.892%0.92179%0.791SS**  trans-93.8-174.7-178-64.7-173.8115.400114.2
456M26.3Very low30.5Very low180 Ų180146.3 Ų146.389%0.88779%0.789SS**  trans-71148.8-172.4-59.4170.762.400114.9
457T26.5Very low29.7Very low153 Ų153150.3 Ų150.394%0.93979%0.788SS**  trans-153.8172.7141.812.70000109
458A26.9Very low29.8Very low92 Ų92148.5 Ų148.576%0.7679%0.785SS**  trans-131-178.6-160.200000114.8
459E28Very low29.9Very low152 Ų152148.5 Ų148.571%0.7178%0.783SS**  trans85.4105.8162.9-57.9-132.4101.200120.3
460K28.3Very low30.7Very low169 Ų169147.2 Ų147.274%0.73579%0.787SS**  55.5148.3119.8-73.3-174.7-169.2128.10124
461L26.9Very low30.6Very low145 Ų145146.5 Ų146.576%0.75978%0.784SS**  trans96.3109.1147-110.479000120.1
462D25.9Very low30.6Very low136 Ų136146.7 Ų146.773%0.72778%0.782SS**  44104.5129.4-72.3-30.6000122.7
463S25.2Very low30.3Very low97 Ų97147.2 Ų147.268%0.67878%0.775SS**  87.5125.4110.382.60000121.7
464M26.5Very low29.4Very low180 Ų180146.8 Ų146.889%0.88777%0.77SS**  trans74.2170.9137.7-74.5-168.717700120.9
465I32.3Very low29.6Very low145 Ų145145.2 Ų145.274%0.74476%0.759SS**  trans78.886.2176.8-55.5-176.9000112.2
466N28.3Very low29.7Very low133 Ų133143.3 Ų143.371%0.71175%0.75SS**  81.9150.589.4-74.7-38.1000111.7
467R30.3Very low29.8Very low205 Ų205137.6 Ų137.677%0.77474%0.737SS**  cis-163.2152.23.4-131176.3-170.5171.6-0.9107.8
468D30.3Very low30Very low145 Ų145139.1 Ų139.178%0.77573%0.733SS**  170.6139.7107.6-94.7-26.6000113.7
469I32.1Very low30.1Very low157 Ų157141.4 Ų141.481%0.80573%0.73SS**  trans-142145.8165.5-25.5174.1000104.9
470P46.3Very low30.1Very low112 Ų112140.9 Ų140.973%0.72774%0.737SS**  -144.6-175.1104.737.4-18.6000111.2
471R29.4Very low30Very low201 Ų201136.2 Ų136.276%0.75874%0.738SS**  cis-170.3168.533.7-160.4175-174.2166.24.5113.7H473R471-H473 WeakPolarHBondContact CG-NE2 3.36Å; R471-H473 PolarHBondContact NE-NE2 2.98Å
472V30.7Very low30Very low123 Ų123134.8 Ų134.875%0.74574%0.739SS**  trans92.9128.8160.6-171.60000116.4
473H33Very low30Very low128 Ų128138.8 Ų138.859%0.59374%0.744SS**  cis174.8146.1-42-87.4-35.9000107.2R471R471-H473 WeakPolarHBondContact CG-NE2 3.36Å; R471-H473 PolarHBondContact NE-NE2 2.98Å
474T31.4Very low30.1Very low107 Ų107140.7 Ų140.766%0.65675%0.747SS**  cis-120.5-102.8-13.19.20000109.7
475S30.8Very low30Very low92 Ų92137.2 Ų137.264%0.64374%0.741SS**  cis-164.2147.1-14.7-86.80000106
476E28.1Very low30.5Very low158 Ų158135.2 Ų135.274%0.73874%0.737SS**  cis-157.7175.5-15.1-12766.5-93.700105
477G29Very low30.7Very low59 Ų59134.7 Ų134.761%0.60874%0.739SS**  cis169.4147.5-3.500000110.9
478E29.1Very low31.3Very low185 Ų185130.7 Ų130.786%0.86474%0.739SS**  trans63.4159.2166.7-61-157.9132.500118.5
479M29.6Very low31.2Very low141 Ų141128.9 Ų128.970%0.69574%0.738SS**  cis-161.7153-19.6-115-71.4-167.200110.4
480T28.4Very low31.2Very low140 Ų140127.1 Ų127.186%0.85974%0.74SS**  trans60.1166.2165.468.40000119.2
481G26.5Very low30.4Very low72 Ų72127.1 Ų127.174%0.74274%0.742SS**  trans128.471.9147.500000118.6
482S26.1Very low31.5Very low114 Ų114123.2 Ų123.280%0.79774%0.743SS**  trans-19.6140.7153.3-47.80000119.5
483R25.7Very low31.5Very low220 Ų220121.9 Ų121.983%0.8374%0.739SS**  trans65.5153.3131.3-94.8-173.8-177.6167.5-0.6122.5
484D27.6Very low31.4Very low138 Ų138123.8 Ų123.874%0.73875%0.75SS**  trans73.9133.2148-55.1-19.2000121.6
485S23.9Very low31.6Very low107 Ų107124.7 Ų124.775%0.74876%0.756SS**  trans-68.3179.416756.80000111.3
486P44.7Very low32.5Very low103 Ų103126.2 Ų126.267%0.66976%0.764SS**  cis-155.6-173.629.446.9-24.6000119.7
487T31.8Very low32.4Very low122 Ų122122 Ų12275%0.74876%0.762SS**  trans14.8148.8142.261.20000120.7
488P42.5Very low32.4Very low121 Ų121125.1 Ų125.179%0.78678%0.775SS**  -149.4-177.85037.4-15.3000116.7
489S28.9Very low32.5Very low106 Ų106122.7 Ų122.774%0.74177%0.773SS**  cis-166.9157.5-33.159.30000109.3
490S30.6Very low33.2Very low121 Ų121121.7 Ų121.785%0.84678%0.777SS**  trans-178149.5151.431.10000112.2
491S30.5Very low33.3Very low112 Ų112121 Ų12178%0.78377%0.773SS**  trans-160.2-178.9-173.6-30.10000108.4
492P52.3Low34.1Very low118 Ų118123 Ų12377%0.76677%0.773SS**  cis-139.1-177.7-10.440.5-22.3000115.3
493S30.1Very low34.1Very low96 Ų96121.9 Ų121.967%0.67177%0.765SS**  trans72.6111.9133.2-178.30000123.6
494M32.5Very low34.3Very low167 Ų167120.7 Ų120.782%0.82377%0.766SS**  trans80.8160.4133.1-65.5-65.1120.300122.6
495T34.1Very low34.1Very low126 Ų126118 Ų11877%0.77376%0.763SS**  trans-100.8-172.6-176.558.90000110.3
496P49.8Very low34.2Very low125 Ų125117.3 Ų117.381%0.81276%0.764SS**  cis-135.4176.8-2.142-25.6000116
497G26.1Very low33.2Very low68 Ų68117.5 Ų117.570%0.70177%0.768SS**  trans139.7116.2145.100000119.7
498S29Very low33Very low126 Ų126119 Ų11988%0.88177%0.77SS**  trans69.5130.1139.3-53.40000123.5
499T32.9Very low32.5Very low134 Ų134119.6 Ų119.682%0.82277%0.771SS**  trans-60.5166.6152.628.80000112.3
500P43Very low32.7Very low120 Ų120120.2 Ų120.278%0.77977%0.773SS**  cis-152.2-17744.144.6-23000119.6
501T31.7Very low32.6Very low125 Ų125122.8 Ų122.877%0.76777%0.772SS**  trans-72.9161.2158.252.30000110.6
502P42Very low33.5Very low114 Ų114122.1 Ų122.174%0.7477%0.765SS**  -159.7152.384.241.2-20.4000119.5
503S26.6Very low32.3Very low91 Ų91125.6 Ų125.664%0.63677%0.77SS**  61.6163129-159.60000123.7
504F28.9Very low32.3Very low194 Ų194128.4 Ų128.485%0.85178%0.778SS**  trans73.9149.7167.2-55.9-83.1000118.9
505A24.9Very low32.1Very low82 Ų82124.7 Ų124.768%0.67877%0.774SS**  cis-168.9153.7-33.200000111
506A25.6Very low31.7Very low92 Ų92126.1 Ų126.176%0.7678%0.776SS**  trans44.4134.5144.100000122.9
507S24.3Very low30.7Very low108 Ų108126.5 Ų126.576%0.75577%0.771SS**  95.4140.9129.9-86.10000122.6
508L26.3Very low30.7Very low153 Ų153129.2 Ų129.280%0.80177%0.769SS**  trans72.989.9149.4-65.4162.9000119.9
509V31.9Very low30.6Very low133 Ų133128.6 Ų128.681%0.80676%0.76SS**  11.5120.4105.4176.50000114
510P34.1Very low30.4Very low120 Ų120130 Ų13078%0.77976%0.761SS**  -143.9161.486.541-26.1000117.8
511Q28.1Very low29.7Very low175 Ų175129.4 Ų129.482%0.81876%0.76SS**  trans-78.2-168.6157.2-66.4-173.5-19.400110.3
512P48.3Very low29.6Very low98 Ų98133.7 Ų133.764%0.63677%0.768SS**  -121.5177.5-64.935.6-22.2000110.2
513H28.7Very low28.9Very low191 Ų191131.7 Ų131.788%0.88477%0.768SS**  trans-159.7128.4152-111.5-70.8000112.9
514D30Very low28.9Very low155 Ų155136.6 Ų136.683%0.82978%0.783SS**  trans-93.4134.2169.5-71.3-70.4000111.7
515A27.2Very low29Very low89 Ų89131.4 Ų131.474%0.73678%0.776SS**  trans172.3116.7149.900000107.4
516L27.2Very low29.4Very low156 Ų156133.8 Ų133.882%0.81778%0.778SS**  78.2131.361.3-76.5171.5000115.2
517N27.3Very low30Very low133 Ų133139 Ų13971%0.71178%0.778SS**  trans67.9156.6167.3-70.246.1000116
518D26.1Very low30.3Very low124 Ų124141.7 Ų141.766%0.66378%0.783SS**  cis-161.8161.30.4-125.1-41000108.5
519T26.8Very low30.7Very low114 Ų114137.8 Ų137.870%0.69977%0.768SS**  cis-154.4-153.2-5.2-34.40000108
520I29.6Very low30.7Very low163 Ų163139.8 Ų139.884%0.83677%0.772SS**  trans95.6126.2153.2-47.3-171.5000118.1
521S29Very low30.5Very low108 Ų108137.3 Ų137.376%0.75577%0.769SS**  trans-131.3146.2179.641.30000112.3
522K29.1Very low30.7Very low214 Ų214140 Ų14093%0.9377%0.772SS**  trans-177152.2161.6-113.9171.1-177.6177.90114.4
523G26.1Very low29.9Very low73 Ų73141.6 Ų141.675%0.75378%0.775SS**  trans81123.3165.100000115.3
524M27.8Very low30Very low193 Ų193141 Ų14195%0.95177%0.774SS**  cis92.9106.24.8-153173.8-17500118.8
525A31.5Very low29.9Very low85 Ų85141.9 Ų141.970%0.70277%0.774SS**  trans81.398.3146.500000123.4
526D33.4Very low31Very low132 Ų132142.7 Ų142.771%0.70677%0.771SS**  73.7141.8112.5-111.540.2000125.4
527R37.7Very low30.9Very low202 Ų202140.2 Ų140.276%0.76277%0.767SS**  trans79.5159.5148.4-79.3167.4-162.4-127.1-5.5119.2
528L29.3Very low31Very low164 Ų164139.6 Ų139.686%0.85977%0.773SS**  cis-133167.130.9-64.4157.3000112.5
529S35.4Very low32.1Very low71 Ų71138.5 Ų138.550%0.49777%0.772SS.*  cis-177.5-176-22-90.60000109.7
530I33Very low32.2Very low175 Ų175142 Ų14290%0.89778%0.781SS**  trans81.3140.8166.5-51.8175.2000115.1
531G29.1Very low32.1Very low68 Ų68139.1 Ų139.170%0.70178%0.782SS**  cis159.5176.1-12.600000116.9
532R33Very low32.2Very low233 Ų233141.6 Ų141.688%0.87979%0.786SS**  trans66.8105.8174.3-78.5-157.6163.4176.4-2.8121.8
533N30.5Very low32.1Very low131 Ų131134.4 Ų134.470%0.70177%0.773SS**  95.988.8125.2-6719.2000123
534M31.3Very low32.5Very low178 Ų178141.2 Ų141.288%0.87778%0.776SS**  62.4159.2126.3-54.7-145.577.400124.3
535E27.3Very low32.8Very low174 Ų174137.3 Ų137.381%0.81376%0.759SS**  trans-77.9-175.2-168.2-55.2-166.4118.300116.4
536P50Low32.9Very low106 Ų106141.5 Ų141.569%0.68876%0.763SS**  cis-138.3169.20.127.5-2.4000119.8
537S26.2Very low32.9Very low104 Ų104144.3 Ų144.373%0.72777%0.769SS**  trans59.2115.5143.865.60000125.1
538S28.5Very low32.6Very low119 Ų119145.4 Ų145.483%0.83277%0.774SS**  trans57.6161.9134.6-910000123.4
539P48.8Very low32.6Very low101 Ų101144.2 Ų144.266%0.65677%0.768SS**  cis-138172.4-15.839.6-21.6000117.1
540Q30.7Very low32.2Very low189 Ų189146.2 Ų146.288%0.88378%0.782SS**  trans57.3121.4145-76.2174.4-1600124.5
541A27.2Very low32Very low102 Ų102145.3 Ų145.384%0.84378%0.778SS**  -160.1156.3123.900000111.8
542N30.6Very low32.2Very low159 Ų159149.3 Ų149.385%0.8579%0.789SS**  trans-106.4171.5179.1-83.3-60.9000111.6
543G26.8Very low31.9Very low63 Ų63142.2 Ų142.265%0.64979%0.788SS**  cis-160.3171.38.400000111.5
544R34.8Very low31.8Very low217 Ų217141.6 Ų141.682%0.81980%0.795SS**  69.114252.4-87.9-162.1164.4-166-1115
545N33.9Very low31.7Very low110 Ų110141.5 Ų141.559%0.58880%0.797SS**  cis-169.9138.5-21.5-124.424.3000110.3
546H33Very low31.7Very low173 Ų173136.7 Ų136.780%0.80179%0.794SS**  83.5150.898.1-87.926.8000121
547K34.1Very low30.7Very low191 Ų191136.9 Ų136.983%0.8380%0.798SS**  trans-89160.8175-51.4165.4179.3177.50112
548R30.8Very low30.6Very low226 Ų226139.4 Ų139.485%0.85380%0.803SS**  158.6142.2115.4-90.7-175.7175.9160.30.1117.3
549N29.5Very low30.6Very low138 Ų138138.4 Ų138.474%0.73880%0.796SS**  trans28133.6137.2-53.629.8000124.3
550S27.5Very low29.5Very low114 Ų114141.9 Ų141.980%0.79781%0.806SS**  trans-151153.3136.959.50000107.7
551L29.2Very low29.3Very low156 Ų156137.4 Ų137.482%0.81780%0.796SS**  cis83.2139.43.7-61.6171.1000119
552T32.5Very low29.3Very low151 Ų151138.8 Ų138.893%0.92679%0.793SS**  trans-149.3151.1-168.650.10000112.9
553G26.8Very low29.2Very low84 Ų84140.8 Ų140.887%0.86679%0.794SS**  trans-170.9135.717500000111.9
554S29.1Very low29.4Very low119 Ų119145.6 Ų145.683%0.83280%0.8SS**  trans-93158.7-161.2-169.60000115.9
555L28.4Very low29.1Very low175 Ų175143.7 Ų143.792%0.91680%0.8SS**  trans-167.9167134-101.8166.9000111.6
556G27.1Very low29Very low73 Ų73144.3 Ų144.375%0.75380%0.804SS**  trans-79.8-170.1-167.300000117.2
557S28.6Very low28.7Very low111 Ų111145.1 Ų145.178%0.77681%0.805SS**  cis-156.2-176.814.8-169.90000112.9
558D25.2Very low28.5Very low156 Ų156143.1 Ų143.183%0.83480%0.804SS**  trans89.2165.6158.7-68.320.8000119.3
559S27.2Very low28.6Very low99 Ų99140.1 Ų140.169%0.69280%0.802SS**  trans-147.3151.3-137.6176.20000114
560M26.6Very low28.7Very low173 Ų173139.1 Ų139.185%0.85280%0.802SS**  -178.2105.6126.5-96.3-58.8158.400114.3
561S26.9Very low29.1Very low96 Ų96137.9 Ų137.967%0.67180%0.798SS**  trans28.1151.1137.9-140.90000125.2
562V27.4Very low29.6Very low131 Ų131140.9 Ų140.979%0.79480%0.799SS**  trans57.9132.2164.8-100.60000118.4
563K27.2Very low29.9Very low200 Ų200141.3 Ų141.387%0.8780%0.795SS**  cis-139.3165.527-71.4-174.5174.7179.60114.6
564Q32.5Very low30.7Very low164 Ų164145.3 Ų145.377%0.76679%0.789SS**  trans-101.1127.8174.9174.4-177.1-1.500110.6N566Q564-N566 PolarHBondContact NE2-OD1 3.2Å
565E27.1Very low31.7Very low178 Ų178143.9 Ų143.983%0.83278%0.779SS**  trans-131.8130.6161.2-74.7-169.2173.500109.3
566N33.4Very low32.7Very low123 Ų123137.3 Ų137.366%0.65875%0.748SS**  trans-86.4125.7-176-61.5-17.3000110Q564Q564-N566 PolarHBondContact NE2-OD1 3.2Å
567F26.2Very low34.1Very low190 Ų190137.6 Ų137.683%0.83373%0.728SS**  trans-113.9102.7162.3-105.8-88000109.9I569F567-I569 PolarHBondContact O-N 3.18Å; F567-I569 VanDerWaalsContact O-N 3.1Å
568N30.4Very low35.5Very low149 Ų149133.2 Ų133.280%0.79770%0.697SS**  trans-65108.8170.1-76.6-4.7000108.9T570N568-T570 PolarHBondContact O-N 2.92Å
569I31.4Very low36.9Very low162 Ų162127.3 Ų127.383%0.83167%0.666SS**  trans-81.4107.4160.3-61.2179000105.7F567F567-I569 PolarHBondContact O-N 3.18Å; F567-I569 VanDerWaalsContact O-N 3.1Å
570T33Very low38.4Very low118 Ų118126.1 Ų126.172%0.72465%0.646SS**  trans-56.9139.4173.540.90000110N568N568-T570 PolarHBondContact O-N 2.92Å
571A34.9Very low40.4Very low88 Ų88121.3 Ų121.373%0.72762%0.618SS**  trans-56150.7169.100000109.7
572R38.8Very low42.1Very low219 Ų219117.4 Ų117.483%0.82659%0.59SS**  trans-119.4130.5163.7-79.6-173.4172.9137.13.2107.4F574R572-F574 PolarHBondContact O-N 3.11Å
573D39.7Very low44.3Very low159 Ų159112 Ų11285%0.8556%0.555SS**  trans-70.6127.9-170.5-48.2-71.5000109.8
574F43.4Very low46.4Very low168 Ų168107.5 Ų107.574%0.73754%0.536SS*.  trans-92.5125.7165.4-70.9-95.4000106.3R572 S576R572-F574 PolarHBondContact O-N 3.11Å; F574-S576 PolarHBondContact O-N 3.22Å
575S50.7Low48.4Very low90 Ų90100.5 Ų100.563%0.62950%0.503SS*.  trans-7177.6178.655.30000111K577S575-K577 PolarHBondContact O-N 3.06Å
576S49.8Very low50.5Low36 Ų3696.6 Ų96.625%0.25249%0.491SS..  trans-75.2122.3176.357.10000110.5F574 I600F574-S576 PolarHBondContact O-N 3.22Å; S576-I600 WeakPolarHBondContact CA-O 3.47Å; S576-I600 WeakPolarHBondContact CB-O 3.45Å
577K55.7Low52.5Low79 Ų7991 Ų9134%0.34346%0.461SS..EExtended strand (participates in β ladder)trans-80.8145.7168-64.5-173.9170-128.80109.3D315 S575 I600D315-K577 VanDerWaalsContact OD1-CD 3.25Å; D315-K577 WeakPolarHBondContact OD1-CD 3.39Å; D315-K577 WeakPolarHBondContact OD1-CE 3.43Å; D315-K577 IonicContact OD1-NZ 3.26Å; D315-K577 PolarHBondContact OD1-NZ 3.02Å; D315-K577 WeakPolarHBondContact OD2-CE 3.49Å; D315-K577 IonicContact OD2-NZ 3.94Å; D315-K577 PolarHBondContact OD2-NZ 3.38Å; S575-K577 PolarHBondContact O-N 3.06Å; K577-I600 WeakPolarHBondContact O-CB 3.17Å; K577-I600 PolarHBondContact O-N 3.36Å
578T57.3Low54.6Low20 Ų2087.6 Ų87.612%0.12345%0.452CS..EExtended strand (participates in β ladder)trans-108.8112175-55.90000109.1E314E314-T578 PolarHBondContact N-O 3.35Å; E314-T578 VanDerWaalsContact N-O 3.16Å; E314-T578 PolarHBondContact O-N 2.99Å; E314-T578 VanDerWaalsContact O-N 3.15Å
579L54.7Low56.1Low32 Ų3283.9 Ų83.917%0.16845%0.448CS..EExtended strand (participates in β ladder)trans-77.5122.7168176.966.2000107.8I313 S597 K598 I600I313-L579 HydrophobicContact CG1-CD1 3.84Å; L579-S597 WeakPolarHBondContact O-CA 3.44Å; L579-K598 PolarHBondContact N-O 2.86Å; L579-K598 PolarHBondContact O-N 3.01Å; L579-I600 HydrophobicContact CB-CD1 3.89Å
580R60.3Low57.7Low74 Ų7480.2 Ų80.228%0.27943%0.433SS..EExtended strand (participates in β ladder)trans-115.893.9-176.1-167.9172.482.4-171.12.1109.4E312 E314 T595E312-R580 HydrophobicContact CB-CB 4.39Å; E312-R580 PolarHBondContact N-O 2.97Å; E312-R580 PolarHBondContact O-N 3.33Å; E312-R580 IonicContact OE1-NH2 2.68Å; E312-R580 IonicContact OE2-CZ 2.71Å; E312-R580 VanDerWaalsContact OE2-CZ 3.23Å; E312-R580 IonicContact OE2-NE 3.85Å; E312-R580 PolarHBondContact OE2-NE 3.11Å; E312-R580 IonicContact OE2-NH2 3.29Å; E312-R580 PolarHBondContact OE2-NH2 3.3Å; E314-R580 VanDerWaalsContact CD-CZ 3.47Å; E314-R580 IonicContact OE1-CZ 2.8Å; E314-R580 VanDerWaalsContact OE1-CZ 3.24Å; E314-R580 IonicContact OE1-NH1 2.75Å; E314-R580 PolarHBondContact OE1-NH1 3.15Å; E314-R580 IonicContact OE1-NH2 3.84Å; E314-R580 PolarHBondContact OE1-NH2 2.85Å; E314-R580 WeakPolarHBondContact OE2-CD 3.32Å; E314-R580 IonicContact OE2-CZ 2.98Å; E314-R580 IonicContact OE2-NE 3.95Å; E314-R580 IonicContact OE2-NH1 2.75Å; E314-R580 PolarHBondContact OE2-NH1 3.2Å; R580-T595 HydrophobicContact CG-CG2 3.32Å
581R67.2Low59.5Low72 Ų7280.1 Ų80.127%0.27243%0.425SS..EExtended strand (participates in β ladder)trans-88.1110.8172.8-85.6178.1173170.8-3.1109.4E311 T595 T596E311-R581 HydrophobicContact CG-CG 4.19Å; E311-R581 IonicContact OE1-CZ 3.28Å; E311-R581 IonicContact OE1-NE 2.99Å; E311-R581 PolarHBondContact OE1-NE 3.29Å; E311-R581 IonicContact OE1-NH2 2.73Å; E311-R581 PolarHBondContact OE1-NH2 3.13Å; R581-T595 CarbonylContact O-C 3.4Å; R581-T595 WeakPolarHBondContact O-CA 3.49Å; R581-T596 WeakPolarHBondContact CB-OG1 3.18Å; R581-T596 PolarHBondContact N-O 3.49Å; R581-T596 VanDerWaalsContact N-O 3.09Å; R581-T596 PolarHBondContact O-N 2.82Å; R581-T596 PolarHBondContact O-OG1 3.04Å
582T64.1Low61.2Low13 Ų1378 Ų788%0.0840%0.401CS..EExtended strand (participates in β ladder)trans-103.9104.4177.1-62.80000109.2M310 K584 T595M310-T582 PolarHBondContact O-N 3.19Å; M310-T582 VanDerWaalsContact O-N 3.1Å; T582-K584 HydrophobicContact CG2-CG 4.44Å; T582-T595 PolarHBondContact OG1-OG1 3.35Å
583R73.3Confident62.6Low17 Ų1771.1 Ų71.16%0.06439%0.387CS..EExtended strand (participates in β ladder)trans-87.9120.6168.4-70.9-177.2-175.4-117.74.4108.2E119 E304 A307 V309 F585 S593 V594E119-R583 PolarHBondContact O-NH2 3.1Å; E304-R583 WeakPolarHBondContact O-CD 3.37Å; E304-R583 PolarHBondContact O-NH1 2.83Å; A307-R583 HydrophobicContact CB-CB 3.82Å; A307-R583 HydrophobicContact CB-CG 4.24Å; V309-R583 HydrophobicContact CG2-CG 4.26Å; R583-F585 HydrophobicContact CB-CD1 4.34Å; R583-S593 CarbonylContact O-C 3.55Å; R583-S593 WeakPolarHBondContact O-CA 3.46Å; R583-V594 PolarHBondContact N-O 2.81Å; R583-V594 PolarHBondContact O-N 3.43Å
584K71.5Confident64.1Low106 Ų10665.8 Ų65.846%0.46136%0.359SS..EExtended strand (participates in β ladder)trans-99.8125.4173.2-81.8169.8165.2-95.10109.2M310 T582 E591M310-K584 HydrophobicContact CE-CD 4.28Å; T582-K584 HydrophobicContact CG2-CG 4.44Å; K584-E591 IonicContact NZ-OE1 2.82Å; K584-E591 PolarHBondContact NZ-OE1 2.87Å
585F74.1Confident65Low17 Ų1760.6 Ų60.68%0.07534%0.342CS..EExtended strand (participates in β ladder)trans-150.5164.1175.956-96.4000111.2A303 E304 A307 R583 V587 L592 V594A303-F585 HydrophobicContact CB-CB 4.29Å; A303-F585 HydrophobicContact CB-CD2 3.37Å; A303-F585 HydrophobicContact CB-CE2 3.74Å; A303-F585 HydrophobicContact CB-CG 3.95Å; E304-F585 HydrophobicContact CB-CD1 4.49Å; E304-F585 HydrophobicContact CB-CE1 3.77Å; E304-F585 HydrophobicContact CB-CZ 4.05Å; E304-F585 HydrophobicContact CG-CE1 4.17Å; A307-F585 HydrophobicContact CB-CB 4.02Å; A307-F585 HydrophobicContact CB-CD1 3.85Å; A307-F585 HydrophobicContact CB-CG 4.38Å; R583-F585 HydrophobicContact CB-CD1 4.34Å; F585-V587 HydrophobicContact CD2-CG2 3.79Å; F585-V587 HydrophobicContact CE2-CG2 3.77Å; F585-L592 HydrophobicContact CD2-CB 4.24Å; F585-L592 HydrophobicContact CE2-CB 3.98Å; F585-L592 HydrophobicContact CE2-CD1 4.07Å; F585-L592 HydrophobicContact CZ-CB 4.41Å; F585-L592 PolarHBondContact N-O 3.08Å; F585-L592 PolarHBondContact O-N 3.43Å; F585-V594 HydrophobicContact CE1-CB 3.86Å; F585-V594 HydrophobicContact CE1-CG2 3.49Å; F585-V594 VanDerWaalsContact CE1-CG2 3.49Å; F585-V594 HydrophobicContact CZ-CB 4.32Å; F585-V594 HydrophobicContact CZ-CG2 3.44Å; F585-V594 VanDerWaalsContact CZ-CG2 3.44Å
586V71.2Confident65.2Low97 Ų9759.2 Ų59.259%0.58833%0.329SS*.EExtended strand (participates in β ladder)trans-111.8128.5-177.9179.20000110V590V586-V590 WeakPolarHBondContact CA-O 3.45Å
587V74.7Confident65.2Low5 Ų561.3 Ų61.33%0.0334%0.344CS..EExtended strand (participates in β ladder)trans-126.5130.7171.4-178.70000108I299 E300 A303 F585 G589 V590 L592I299-V587 HydrophobicContact CG2-CG1 3.83Å; E300-V587 HydrophobicContact CG-CG2 4.26Å; A303-V587 HydrophobicContact CB-CG2 3.9Å; F585-V587 HydrophobicContact CD2-CG2 3.79Å; F585-V587 HydrophobicContact CE2-CG2 3.77Å; V587-G589 PolarHBondContact O-N 3.22Å; V587-G589 VanDerWaalsContact O-N 3.08Å; V587-V590 PolarHBondContact N-O 3.5Å; V587-V590 WeakPolarHBondContact O-CB 3.37Å; V587-V590 PolarHBondContact O-N 3.37Å; V587-L592 HydrophobicContact CB-CD1 3.93Å; V587-L592 HydrophobicContact CG2-CD1 3.94Å
588D70.1Confident65.1Low119 Ų11961.6 Ų61.664%0.63635%0.346SS*.THydrogen-bonded Turntrans53.725.6-177.8-48.3-40000114.9R296 V590R296-D588 IonicContact CZ-OD2 3.13Å; R296-D588 IonicContact NH1-OD2 3.78Å; R296-D588 PolarHBondContact NH1-OD2 3.01Å; D588-V590 VanDerWaalsContact C-N 3.32Å
589G62.6Low65.2Low70 Ų7065.5 Ų65.572%0.72236%0.364SS*.THydrogen-bonded Turntrans82.12.3-17500000115V587V587-G589 PolarHBondContact O-N 3.22Å; V587-G589 VanDerWaalsContact O-N 3.08Å
590V65.3Low65.1Low85 Ų8565.3 Ų65.352%0.51536%0.364SS..EExtended strand (participates in β ladder)trans-97.5128.3174.3-176.20000109.6V586 V587 D588 L592V586-V590 WeakPolarHBondContact CA-O 3.45Å; V587-V590 PolarHBondContact N-O 3.5Å; V587-V590 WeakPolarHBondContact O-CB 3.37Å; V587-V590 PolarHBondContact O-N 3.37Å; D588-V590 VanDerWaalsContact C-N 3.32Å; V590-L592 HydrophobicContact CG1-CD2 4.14Å; V590-L592 PolarHBondContact O-N 3.08Å
591E70.5Confident64.9Low117 Ų11769.4 Ų69.455%0.54738%0.379SS..EExtended strand (participates in β ladder)trans-72.1119170.6-169.2-174.9162.900109.8K584K584-E591 IonicContact NZ-OE1 2.82Å; K584-E591 PolarHBondContact NZ-OE1 2.87Å
592L70.6Confident64.1Low43 Ų4369.8 Ų69.823%0.22539%0.386CS..EExtended strand (participates in β ladder)trans-108.8122.5174.3-61.7-179.7000109.2E300 F585 V587 V590E300-L592 HydrophobicContact CG-CD1 4.35Å; F585-L592 HydrophobicContact CD2-CB 4.24Å; F585-L592 HydrophobicContact CE2-CB 3.98Å; F585-L592 HydrophobicContact CE2-CD1 4.07Å; F585-L592 HydrophobicContact CZ-CB 4.41Å; F585-L592 PolarHBondContact N-O 3.08Å; F585-L592 PolarHBondContact O-N 3.43Å; V587-L592 HydrophobicContact CB-CD1 3.93Å; V587-L592 HydrophobicContact CG2-CD1 3.94Å; V590-L592 HydrophobicContact CG1-CD2 4.14Å; V590-L592 PolarHBondContact O-N 3.08Å
593S68.8Low63.6Low75 Ų7574.7 Ų74.752%0.52441%0.412SS..EExtended strand (participates in β ladder)trans-98.599.4169.557.20000109.5R583 T595R583-S593 CarbonylContact O-C 3.55Å; R583-S593 WeakPolarHBondContact O-CA 3.46Å; S593-T595 PolarHBondContact O-N 2.67Å
594V69.8Low62.5Low46 Ų4677 Ų7728%0.27942%0.424SS..EExtended strand (participates in β ladder)trans-81.896.2170174.20000108.2R583 F585 T596R583-V594 PolarHBondContact N-O 2.81Å; R583-V594 PolarHBondContact O-N 3.43Å; F585-V594 HydrophobicContact CE1-CB 3.86Å; F585-V594 HydrophobicContact CE1-CG2 3.49Å; F585-V594 VanDerWaalsContact CE1-CG2 3.49Å; F585-V594 HydrophobicContact CZ-CB 4.32Å; F585-V594 HydrophobicContact CZ-CG2 3.44Å; F585-V594 VanDerWaalsContact CZ-CG2 3.44Å; V594-T596 HydrophobicContact CG1-CG2 4.1Å; V594-T596 PolarHBondContact O-N 2.83Å
595T62.6Low61.6Low60 Ų6076.6 Ų76.637%0.36842%0.422SS..EExtended strand (participates in β ladder)trans-90.198.9174.2-63.30000109.5R580 R581 T582 S593 S597R580-T595 HydrophobicContact CG-CG2 3.32Å; R581-T595 CarbonylContact O-C 3.4Å; R581-T595 WeakPolarHBondContact O-CA 3.49Å; T582-T595 PolarHBondContact OG1-OG1 3.35Å; S593-T595 PolarHBondContact O-N 2.67Å; T595-S597 PolarHBondContact O-N 3.28Å
596T55.8Low60.7Low60 Ų6079.3 Ų79.337%0.36843%0.434SS..EExtended strand (participates in β ladder)trans-83100.9172.349.10000109.8R581 V594R581-T596 WeakPolarHBondContact CB-OG1 3.18Å; R581-T596 PolarHBondContact N-O 3.49Å; R581-T596 VanDerWaalsContact N-O 3.09Å; R581-T596 PolarHBondContact O-N 2.82Å; R581-T596 PolarHBondContact O-OG1 3.04Å; V594-T596 HydrophobicContact CG1-CG2 4.1Å; V594-T596 PolarHBondContact O-N 2.83Å
597S49.9Very low59.9Low81 Ų8178.3 Ų78.357%0.56643%0.425SS*.EExtended strand (participates in β ladder)trans-87.6108.9173.5580000110.5L579 T595L579-S597 WeakPolarHBondContact O-CA 3.44Å; T595-S597 PolarHBondContact O-N 3.28Å
598K53.2Low59Low85 Ų8579.5 Ų79.537%0.3743%0.43SS..EExtended strand (participates in β ladder)trans-100.7108172-171.3166.4179.5174.40109.3L579 I600 E608L579-K598 PolarHBondContact N-O 2.86Å; L579-K598 PolarHBondContact O-N 3.01Å; K598-I600 PolarHBondContact O-N 2.79Å; K598-E608 IonicContact NZ-OE1 3.58Å; K598-E608 PolarHBondContact NZ-OE1 3.39Å; K598-E608 IonicContact NZ-OE2 3.5Å; K598-E608 PolarHBondContact NZ-OE2 3.15Å
599I58.2Low58.5Low101 Ų10179.3 Ų79.352%0.51843%0.426SS..EExtended strand (participates in β ladder)trans-63.4120.8166.3-58.3175.2000106.7
600I54.2Low58.3Low29 Ų2979.3 Ų79.315%0.14941%0.408CS..EExtended strand (participates in β ladder)trans-101.1105.2177.8-59176.7000108.2S576 K577 L579 K598 K605S576-I600 WeakPolarHBondContact CA-O 3.47Å; S576-I600 WeakPolarHBondContact CB-O 3.45Å; K577-I600 WeakPolarHBondContact O-CB 3.17Å; K577-I600 PolarHBondContact O-N 3.36Å; L579-I600 HydrophobicContact CB-CD1 3.89Å; K598-I600 PolarHBondContact O-N 2.79Å; I600-K605 HydrophobicContact CG2-CB 3.46Å; I600-K605 VanDerWaalsContact CG2-CB 3.46Å; I600-K605 HydrophobicContact CG2-CD 4.46Å; I600-K605 HydrophobicContact CG2-CG 3.83Å
601R55Low58.1Low160 Ų16080.1 Ų80.160%0.60440%0.402SS*.  trans-69.7152.6163.2-59.6174.2-139.1-100.2-2.6109.8D603 E604 K605R601-D603 PolarHBondContact O-N 3.44Å; R601-E604 HydrophobicContact CB-CB 4.22Å; R601-E604 HydrophobicContact CB-CG 4.04Å; R601-E604 VanDerWaalsContact CB-OE2 3.29Å; R601-E604 WeakPolarHBondContact CB-OE2 3.11Å; R601-E604 WeakPolarHBondContact CD-OE1 3.38Å; R601-E604 HydrophobicContact CG-CG 4.49Å; R601-E604 WeakPolarHBondContact CG-OE2 3.1Å; R601-E604 IonicContact CZ-OE1 3.2Å; R601-E604 PolarHBondContact N-OE2 3.18Å; R601-E604 IonicContact NE-OE1 2.69Å; R601-E604 PolarHBondContact NE-OE1 3.4Å; R601-E604 IonicContact NE-OE2 2.67Å; R601-E604 IonicContact NH2-OE1 2.85Å; R601-E604 PolarHBondContact O-N 2.97Å; R601-E604 VanDerWaalsContact O-N 3.08Å; R601-K605 PolarHBondContact O-N 3.12Å
602D51.3Low58.1Low80 Ų8079.7 Ų79.743%0.42840%0.398SS..Hα-helixtrans-58-26.6-178-102.1-25.6000114.5K606D602-K606 PolarHBondContact O-NZ 3.4Å
603D53.4Low57.9Low116 Ų11680.1 Ų80.162%0.6240%0.4SS*.Hα-helixtrans-85.9-40.5174.3-68.1-40.3000112.4R601 K605 K606 D607R601-D603 PolarHBondContact O-N 3.44Å; D603-K605 PolarHBondContact O-N 3.39Å; D603-K606 PolarHBondContact O-N 3.26Å; D603-K606 VanDerWaalsContact O-N 3.09Å; D603-K606 IonicContact OD1-NZ 3.52Å; D603-K606 PolarHBondContact OD1-NZ 3.4Å; D603-D607 PolarHBondContact O-N 3.35Å
604E49.4Very low57.8Low65 Ų6582.7 Ų82.730%0.30440%0.398SS..Hα-helixtrans-57.6-33.6170.8-68.3165.4171.600111.4R601 K606 D607 E608R601-E604 HydrophobicContact CB-CB 4.22Å; R601-E604 HydrophobicContact CB-CG 4.04Å; R601-E604 VanDerWaalsContact CB-OE2 3.29Å; R601-E604 WeakPolarHBondContact CB-OE2 3.11Å; R601-E604 WeakPolarHBondContact CD-OE1 3.38Å; R601-E604 HydrophobicContact CG-CG 4.49Å; R601-E604 WeakPolarHBondContact CG-OE2 3.1Å; R601-E604 IonicContact CZ-OE1 3.2Å; R601-E604 PolarHBondContact N-OE2 3.18Å; R601-E604 IonicContact NE-OE1 2.69Å; R601-E604 PolarHBondContact NE-OE1 3.4Å; R601-E604 IonicContact NE-OE2 2.67Å; R601-E604 IonicContact NH2-OE1 2.85Å; R601-E604 PolarHBondContact O-N 2.97Å; R601-E604 VanDerWaalsContact O-N 3.08Å; E604-K606 VanDerWaalsContact C-N 3.32Å; E604-K606 PolarHBondContact O-N 2.8Å; E604-D607 PolarHBondContact O-N 2.89Å; E604-E608 VanDerWaalsContact O-CB 3.32Å; E604-E608 WeakPolarHBondContact O-CB 3.43Å; E604-E608 PolarHBondContact O-N 2.87Å
605K53.3Low57.8Low98 Ų9883.7 Ų83.743%0.42640%0.397SS..Hα-helixtrans-57-42.1175.5-164.2178.9178-169.80112.8I600 R601 D603 E608 E609I600-K605 HydrophobicContact CG2-CB 3.46Å; I600-K605 VanDerWaalsContact CG2-CB 3.46Å; I600-K605 HydrophobicContact CG2-CD 4.46Å; I600-K605 HydrophobicContact CG2-CG 3.83Å; R601-K605 PolarHBondContact O-N 3.12Å; D603-K605 PolarHBondContact O-N 3.39Å; K605-E608 PolarHBondContact O-N 2.97Å; K605-E609 VanDerWaalsContact O-CB 3.29Å; K605-E609 WeakPolarHBondContact O-CB 3.33Å; K605-E609 PolarHBondContact O-N 3.4Å
606K55.9Low58.2Low73 Ų7384.3 Ų84.332%0.31740%0.396SS..Hα-helixtrans-70.1-39.9-178.2-55.6179.8-167.974.20110.5D602 D603 E604 E608 E609 M610D602-K606 PolarHBondContact O-NZ 3.4Å; D603-K606 PolarHBondContact O-N 3.26Å; D603-K606 VanDerWaalsContact O-N 3.09Å; D603-K606 IonicContact OD1-NZ 3.52Å; D603-K606 PolarHBondContact OD1-NZ 3.4Å; E604-K606 VanDerWaalsContact C-N 3.32Å; E604-K606 PolarHBondContact O-N 2.8Å; K606-E608 VanDerWaalsContact C-N 3.33Å; K606-E609 PolarHBondContact O-N 2.67Å; K606-M610 WeakPolarHBondContact O-CB 3.16Å; K606-M610 WeakPolarHBondContact O-CG 3.26Å; K606-M610 PolarHBondContact O-N 2.97Å
607D53Low59Low77 Ų7782.9 Ų82.941%0.41239%0.385SS..Hα-helixtrans-68.9-33.8174.1-67.8-14.5000111.6D603 E604 M610 R611D603-D607 PolarHBondContact O-N 3.35Å; E604-D607 PolarHBondContact O-N 2.89Å; D607-M610 WeakPolarHBondContact OD1-CE 3.37Å; D607-R611 WeakPolarHBondContact O-CB 3.38Å; D607-R611 VanDerWaalsContact O-CG 3.31Å; D607-R611 WeakPolarHBondContact O-CG 3.37Å; D607-R611 PolarHBondContact O-N 2.87Å
608E55.6Low59.9Low29 Ų2983 Ų8314%0.13638%0.379CS..Hα-helixtrans-69-40.2175.3-154.771.6175.500112.2K598 E604 K605 K606 R611 F612K598-E608 IonicContact NZ-OE1 3.58Å; K598-E608 PolarHBondContact NZ-OE1 3.39Å; K598-E608 IonicContact NZ-OE2 3.5Å; K598-E608 PolarHBondContact NZ-OE2 3.15Å; E604-E608 VanDerWaalsContact O-CB 3.32Å; E604-E608 WeakPolarHBondContact O-CB 3.43Å; E604-E608 PolarHBondContact O-N 2.87Å; K605-E608 PolarHBondContact O-N 2.97Å; K606-E608 VanDerWaalsContact C-N 3.33Å; E608-R611 PolarHBondContact O-N 3.46Å; E608-R611 IonicContact OE2-CZ 2.74Å; E608-R611 VanDerWaalsContact OE2-CZ 3.28Å; E608-R611 IonicContact OE2-NE 2.63Å; E608-R611 PolarHBondContact OE2-NE 2.8Å; E608-R611 IonicContact OE2-NH2 3.53Å; E608-R611 PolarHBondContact OE2-NH2 2.91Å; E608-F612 WeakPolarHBondContact O-CB 3.39Å; E608-F612 PolarHBondContact O-N 3.11Å
609E61.1Low61Low116 Ų11685.9 Ų85.954%0.54239%0.387SS..Hα-helixtrans-65.4-44.2173.5-175.1166.8-143.100110.8K605 K606 R611 F612 L613K605-E609 VanDerWaalsContact O-CB 3.29Å; K605-E609 WeakPolarHBondContact O-CB 3.33Å; K605-E609 PolarHBondContact O-N 3.4Å; K606-E609 PolarHBondContact O-N 2.67Å; E609-R611 PolarHBondContact O-N 2.78Å; E609-F612 PolarHBondContact O-N 2.89Å; E609-L613 HydrophobicContact CG-CD1 4.09Å; E609-L613 WeakPolarHBondContact O-CB 3.36Å; E609-L613 WeakPolarHBondContact O-CD1 3.26Å; E609-L613 PolarHBondContact O-N 2.83Å
610M56.6Low61.9Low70 Ų7084.9 Ų84.935%0.34538%0.38SS..Hα-helixtrans-62.3-40171.1-72.2-164.8-64.400112.6K606 D607 R614K606-M610 WeakPolarHBondContact O-CB 3.16Å; K606-M610 WeakPolarHBondContact O-CG 3.26Å; K606-M610 PolarHBondContact O-N 2.97Å; D607-M610 WeakPolarHBondContact OD1-CE 3.37Å; M610-R614 WeakPolarHBondContact O-CB 3.25Å; M610-R614 PolarHBondContact O-N 2.85Å
611R62.3Low62.8Low102 Ų10286.3 Ų86.339%0.38539%0.388SS..Hα-helixtrans-64.6-40.8172.8-80-176.5-74.4-89.6-2.6112.1D607 E608 E609 R614 R615D607-R611 WeakPolarHBondContact O-CB 3.38Å; D607-R611 VanDerWaalsContact O-CG 3.31Å; D607-R611 WeakPolarHBondContact O-CG 3.37Å; D607-R611 PolarHBondContact O-N 2.87Å; E608-R611 PolarHBondContact O-N 3.46Å; E608-R611 IonicContact OE2-CZ 2.74Å; E608-R611 VanDerWaalsContact OE2-CZ 3.28Å; E608-R611 IonicContact OE2-NE 2.63Å; E608-R611 PolarHBondContact OE2-NE 2.8Å; E608-R611 IonicContact OE2-NH2 3.53Å; E608-R611 PolarHBondContact OE2-NH2 2.91Å; E609-R611 PolarHBondContact O-N 2.78Å; R611-R614 PolarHBondContact O-N 2.97Å; R611-R615 WeakPolarHBondContact O-CB 3.08Å; R611-R615 WeakPolarHBondContact O-CG 3.22Å; R611-R615 PolarHBondContact O-N 3.48Å; R611-R615 PolarHBondContact O-NE 2.79Å
612F71.3Confident63.8Low108 Ų10886.1 Ų86.147%0.47439%0.387SS..Hα-helixtrans-62.1-49.5176.3177.5-88.8000111.5E608 E609 R614 R615 Q616E608-F612 WeakPolarHBondContact O-CB 3.39Å; E608-F612 PolarHBondContact O-N 3.11Å; E609-F612 PolarHBondContact O-N 2.89Å; F612-R614 VanDerWaalsContact C-N 3.34Å; F612-R614 PolarHBondContact O-N 3.38Å; F612-R615 CarbonylContact O-C 3.55Å; F612-R615 PolarHBondContact O-N 2.87Å; F612-R615 VanDerWaalsContact O-N 3.16Å; F612-Q616 PolarHBondContact O-N 2.78Å
613L65.8Low65.1Low51 Ų5189.2 Ų89.227%0.26740%0.397SS..Hα-helixtrans-62.1-40.5176-80.2145.3000111.3E609 R615 Q616 E617E609-L613 HydrophobicContact CG-CD1 4.09Å; E609-L613 WeakPolarHBondContact O-CB 3.36Å; E609-L613 WeakPolarHBondContact O-CD1 3.26Å; E609-L613 PolarHBondContact O-N 2.83Å; L613-R615 VanDerWaalsContact C-N 3.34Å; L613-R615 PolarHBondContact O-N 3.13Å; L613-Q616 WeakPolarHBondContact O-CA 3.39Å; L613-Q616 WeakPolarHBondContact O-CB 3.29Å; L613-Q616 PolarHBondContact O-N 3.26Å; L613-E617 WeakPolarHBondContact O-CG 3.34Å; L613-E617 PolarHBondContact O-N 3.21Å
614R66.9Low66.3Low130 Ų13085.1 Ų85.149%0.49138%0.375SS..Hα-helixtrans-63.9-35.8173.7-170.454.5171.4177.41.8113.2M610 R611 F612 Q616 E617 L618M610-R614 WeakPolarHBondContact O-CB 3.25Å; M610-R614 PolarHBondContact O-N 2.85Å; R611-R614 PolarHBondContact O-N 2.97Å; F612-R614 VanDerWaalsContact C-N 3.34Å; F612-R614 PolarHBondContact O-N 3.38Å; R614-Q616 VanDerWaalsContact C-N 3.34Å; R614-E617 WeakPolarHBondContact CD-OE2 3.39Å; R614-E617 IonicContact CZ-OE2 2.69Å; R614-E617 IonicContact NE-OE2 2.64Å; R614-E617 IonicContact NH1-OE2 2.75Å; R614-E617 PolarHBondContact NH1-OE2 2.89Å; R614-E617 PolarHBondContact O-N 2.8Å; R614-L618 VanDerWaalsContact O-CG 3.29Å; R614-L618 WeakPolarHBondContact O-CG 3.35Å; R614-L618 PolarHBondContact O-N 3.49Å
615R68.2Low67.7Low66 Ų6687 Ų8725%0.24938%0.384CS..Hα-helixtrans-71.9-25.4172.2-73.3-179.3-65.5-125.88.6112.9D121 R611 F612 L613 R619D121-R615 IonicContact OD1-CZ 3.89Å; D121-R615 IonicContact OD1-NE 3.56Å; D121-R615 IonicContact OD1-NH1 2.67Å; D121-R615 PolarHBondContact OD1-NH1 2.98Å; D121-R615 IonicContact OD2-CZ 3.77Å; D121-R615 IonicContact OD2-NH1 3.23Å; D121-R615 PolarHBondContact OD2-NH1 3.2Å; D121-R615 IonicContact OD2-NH2 2.81Å; R611-R615 WeakPolarHBondContact O-CB 3.08Å; R611-R615 WeakPolarHBondContact O-CG 3.22Å; R611-R615 PolarHBondContact O-N 3.48Å; R611-R615 PolarHBondContact O-NE 2.79Å; F612-R615 CarbonylContact O-C 3.55Å; F612-R615 PolarHBondContact O-N 2.87Å; F612-R615 VanDerWaalsContact O-N 3.16Å; L613-R615 VanDerWaalsContact C-N 3.34Å; L613-R615 PolarHBondContact O-N 3.13Å; R615-R619 WeakPolarHBondContact O-CG 3.44Å; R615-R619 PolarHBondContact O-N 2.93Å; R615-R619 PolarHBondContact O-NE 2.94Å
616Q72.6Confident69.2Low74 Ų7489.2 Ų89.235%0.34639%0.394SS..Hα-helixtrans-70.2-51.2168.3178.7175.8-16.600110.8F612 L613 R614 L618 R619 E620F612-Q616 PolarHBondContact O-N 2.78Å; L613-Q616 WeakPolarHBondContact O-CA 3.39Å; L613-Q616 WeakPolarHBondContact O-CB 3.29Å; L613-Q616 PolarHBondContact O-N 3.26Å; R614-Q616 VanDerWaalsContact C-N 3.34Å; Q616-L618 VanDerWaalsContact C-N 3.25Å; Q616-L618 PolarHBondContact O-N 3.48Å; Q616-R619 WeakPolarHBondContact O-CA 3.22Å; Q616-R619 PolarHBondContact O-N 3.37Å; Q616-E620 VanDerWaalsContact CG-OE1 3.23Å; Q616-E620 WeakPolarHBondContact CG-OE1 3.44Å; Q616-E620 PolarHBondContact NE2-OE1 3Å; Q616-E620 PolarHBondContact O-N 3.12Å
617E71.8Confident70.4Confident29 Ų2989 Ų8914%0.13639%0.394CS..Hα-helixtrans-51.7-43175.2-66.7161.1-156.900111.9L613 R614 E620 L621 Q835L613-E617 WeakPolarHBondContact O-CG 3.34Å; L613-E617 PolarHBondContact O-N 3.21Å; R614-E617 WeakPolarHBondContact CD-OE2 3.39Å; R614-E617 IonicContact CZ-OE2 2.69Å; R614-E617 IonicContact NE-OE2 2.64Å; R614-E617 IonicContact NH1-OE2 2.75Å; R614-E617 PolarHBondContact NH1-OE2 2.89Å; R614-E617 PolarHBondContact O-N 2.8Å; E617-E620 PolarHBondContact O-N 3.27Å; E617-L621 VanDerWaalsContact O-CG 3.31Å; E617-L621 WeakPolarHBondContact O-CG 3.3Å; E617-L621 PolarHBondContact O-N 3.4Å; E617-Q835 HydrophobicContact CG-CG 4.16Å
618L69.2Low71.9Confident84 Ų8489 Ų8944%0.4439%0.392SS..Hα-helixtrans-68-33.5176.5-72.7168.2000113.8R614 Q616 R622R614-L618 VanDerWaalsContact O-CG 3.29Å; R614-L618 WeakPolarHBondContact O-CG 3.35Å; R614-L618 PolarHBondContact O-N 3.49Å; Q616-L618 VanDerWaalsContact C-N 3.25Å; Q616-L618 PolarHBondContact O-N 3.48Å; L618-R622 WeakPolarHBondContact O-CG 3.38Å; L618-R622 PolarHBondContact O-N 3.4Å; L618-R622 VanDerWaalsContact O-N 3.14Å
619R76.3Confident73.2Confident146 Ų14691.2 Ų91.255%0.55140%0.402SS*.Hα-helixtrans-71.5-39174.2-76.7-179.5-67.1178.34.3111.5R615 Q616 R622 F623R615-R619 WeakPolarHBondContact O-CG 3.44Å; R615-R619 PolarHBondContact O-N 2.93Å; R615-R619 PolarHBondContact O-NE 2.94Å; Q616-R619 WeakPolarHBondContact O-CA 3.22Å; Q616-R619 PolarHBondContact O-N 3.37Å; R619-R622 PolarHBondContact O-N 3.05Å; R619-F623 PolarHBondContact O-N 3.22Å
620E76.7Confident74.5Confident79 Ų7994 Ų9437%0.36941%0.407SS..Hα-helixtrans-65.2-41.1175-70.1171.4-165.800111.5Q616 E617 R622 F623 L624Q616-E620 VanDerWaalsContact CG-OE1 3.23Å; Q616-E620 WeakPolarHBondContact CG-OE1 3.44Å; Q616-E620 PolarHBondContact NE2-OE1 3Å; Q616-E620 PolarHBondContact O-N 3.12Å; E617-E620 PolarHBondContact O-N 3.27Å; E620-R622 PolarHBondContact O-N 3.13Å; E620-F623 WeakPolarHBondContact O-CB 3.16Å; E620-F623 PolarHBondContact O-N 3Å; E620-L624 PolarHBondContact O-N 3.49Å
621L72.2Confident76Confident59 Ų5992.2 Ų92.231%0.30940%0.404SS..Hα-helixtrans-60.6-42.8172.5-74.7167.8000112.6E617 F623 L624 Q625E617-L621 VanDerWaalsContact O-CG 3.31Å; E617-L621 WeakPolarHBondContact O-CG 3.3Å; E617-L621 PolarHBondContact O-N 3.4Å; L621-F623 VanDerWaalsContact C-N 3.33Å; L621-F623 PolarHBondContact O-N 2.83Å; L621-L624 PolarHBondContact O-N 3.29Å; L621-Q625 WeakPolarHBondContact O-CB 3.41Å; L621-Q625 PolarHBondContact O-N 3.47Å
622R77.2Confident77.1Confident157 Ų15790 Ų9059%0.59240%0.399SS*.Hα-helixtrans-62.9-37174.1-76176.5173.7-171.1-3.4112.5L118 L618 R619 E620 K626L118-R622 VanDerWaalsContact CD2-NH2 3.28Å; L618-R622 WeakPolarHBondContact O-CG 3.38Å; L618-R622 PolarHBondContact O-N 3.4Å; L618-R622 VanDerWaalsContact O-N 3.14Å; R619-R622 PolarHBondContact O-N 3.05Å; E620-R622 PolarHBondContact O-N 3.13Å; R622-K626 PolarHBondContact O-N 3.39Å; R622-K626 VanDerWaalsContact O-N 3.13Å
623F79.3Confident78Confident144 Ų14488.9 Ų88.963%0.63240%0.404SS*.Hα-helixtrans-65.9-45.4174.6-171.2-85.3000111.3R619 E620 L621 Q625 K626 E627R619-F623 PolarHBondContact O-N 3.22Å; E620-F623 WeakPolarHBondContact O-CB 3.16Å; E620-F623 PolarHBondContact O-N 3Å; L621-F623 VanDerWaalsContact C-N 3.33Å; L621-F623 PolarHBondContact O-N 2.83Å; F623-Q625 VanDerWaalsContact C-N 3.33Å; F623-Q625 PolarHBondContact O-N 3.4Å; F623-K626 PolarHBondContact O-N 3.5Å; F623-E627 PolarHBondContact O-N 3.04Å
624L77.7Confident79.3Confident30 Ų3091.2 Ų91.216%0.15742%0.421CS..Hα-helixtrans-58.8-43.8177.3-144.481.8000111.7E620 L621 K626 E627 E628 K827 K828E620-L624 PolarHBondContact O-N 3.49Å; L621-L624 PolarHBondContact O-N 3.29Å; L624-K626 PolarHBondContact O-N 3.29Å; L624-E627 WeakPolarHBondContact O-CB 3.49Å; L624-E627 PolarHBondContact O-N 2.75Å; L624-E628 WeakPolarHBondContact O-CB 3.38Å; L624-E628 PolarHBondContact O-N 3.33Å; L624-K827 HydrophobicContact CD1-CD 4.05Å; L624-K827 HydrophobicContact CD1-CG 4.27Å; L624-K828 HydrophobicContact CD2-CB 4.2Å
625Q79.8Confident80.5Confident104 Ų10486 Ų8649%0.48640%0.402SS..Hα-helixtrans-63-38.7176.8-174.3179.4-100112.5L621 F623 E627 E628 Q629L621-Q625 WeakPolarHBondContact O-CB 3.41Å; L621-Q625 PolarHBondContact O-N 3.47Å; F623-Q625 VanDerWaalsContact C-N 3.33Å; F623-Q625 PolarHBondContact O-N 3.4Å; Q625-E627 VanDerWaalsContact C-N 3.34Å; Q625-E628 PolarHBondContact O-N 2.71Å; Q625-Q629 WeakPolarHBondContact O-CG 3.18Å; Q625-Q629 PolarHBondContact O-N 2.73Å
626K82.9Confident81.4Confident145 Ų14586.8 Ų86.863%0.6341%0.412SS*.Hα-helixtrans-69.3-32.6175.9-171.9169.9-175.2168.80112.4R622 F623 L624 R630R622-K626 PolarHBondContact O-N 3.39Å; R622-K626 VanDerWaalsContact O-N 3.13Å; F623-K626 PolarHBondContact O-N 3.5Å; L624-K626 PolarHBondContact O-N 3.29Å; K626-R630 WeakPolarHBondContact O-CB 3.42Å; K626-R630 PolarHBondContact O-N 2.99Å; K626-R630 VanDerWaalsContact O-N 3.14Å
627E82.5Confident82.3Confident70 Ų7085.6 Ų85.633%0.32742%0.419SS..Hα-helixtrans-71-42.4173.4-162.7-173.2161.200111.6F623 L624 Q625 R630 A631 K827F623-E627 PolarHBondContact O-N 3.04Å; L624-E627 WeakPolarHBondContact O-CB 3.49Å; L624-E627 PolarHBondContact O-N 2.75Å; Q625-E627 VanDerWaalsContact C-N 3.34Å; E627-R630 PolarHBondContact O-N 2.75Å; E627-A631 WeakPolarHBondContact O-CB 3.27Å; E627-A631 PolarHBondContact O-N 2.98Å; E627-K827 IonicContact OE1-NZ 3.86Å; E627-K827 PolarHBondContact OE1-NZ 2.88Å; E627-K827 IonicContact OE2-NZ 3.25Å; E627-K827 PolarHBondContact OE2-NZ 3.19Å
628E83.4Confident83.4Confident77 Ų7789 Ų8936%0.3643%0.433SS..Hα-helixtrans-56.9-51.4171.2162.3162.5-135.300111.9L624 Q625 R630 A631 L632 L824L624-E628 WeakPolarHBondContact O-CB 3.38Å; L624-E628 PolarHBondContact O-N 3.33Å; Q625-E628 PolarHBondContact O-N 2.71Å; E628-R630 VanDerWaalsContact C-N 3.3Å; E628-R630 PolarHBondContact O-N 2.8Å; E628-A631 PolarHBondContact O-N 3.06Å; E628-L632 HydrophobicContact CG-CD1 3.81Å; E628-L632 WeakPolarHBondContact O-CB 3.42Å; E628-L632 WeakPolarHBondContact O-CG 3.34Å; E628-L632 PolarHBondContact O-N 2.87Å; E628-L824 HydrophobicContact CB-CD1 4.07Å; E628-L824 HydrophobicContact CB-CD2 4.11Å; E628-L824 HydrophobicContact CG-CD1 3.81Å
629Q83Confident84.5Confident74 Ų7485.3 Ų85.335%0.34641%0.414SS..Hα-helixtrans-57.2-41.7175.5-77.2-178.3-22.400112.2D39 Q625 S633D39-Q629 PolarHBondContact OD2-NE2 2.98Å; Q625-Q629 WeakPolarHBondContact O-CG 3.18Å; Q625-Q629 PolarHBondContact O-N 2.73Å; Q629-S633 WeakPolarHBondContact O-CB 3.38Å; Q629-S633 PolarHBondContact O-N 2.82Å
630R88.7Confident85.2Confident176 Ų17682.2 Ų82.266%0.66441%0.406SS*.Hα-helixtrans-63.8-45.7175.7179-177.4-74.4172-6.3111.8K626 E627 E628 S633 V634K626-R630 WeakPolarHBondContact O-CB 3.42Å; K626-R630 PolarHBondContact O-N 2.99Å; K626-R630 VanDerWaalsContact O-N 3.14Å; E627-R630 PolarHBondContact O-N 2.75Å; E628-R630 VanDerWaalsContact C-N 3.3Å; E628-R630 PolarHBondContact O-N 2.8Å; R630-S633 PolarHBondContact O-N 2.78Å; R630-V634 WeakPolarHBondContact O-CG2 3.49Å; R630-V634 PolarHBondContact O-N 2.68Å
631A88.1Confident86Confident32 Ų3281.8 Ų81.826%0.26441%0.411SS..Hα-helixtrans-64.7-41.1-179.800000112E627 E628 L635 L820E627-A631 WeakPolarHBondContact O-CB 3.27Å; E627-A631 PolarHBondContact O-N 2.98Å; E628-A631 PolarHBondContact O-N 3.06Å; A631-L635 WeakPolarHBondContact O-CB 3.48Å; A631-L635 PolarHBondContact O-N 2.83Å; A631-L820 HydrophobicContact CB-CD1 3.88Å; A631-L820 HydrophobicContact CB-CD2 4.1Å
632L86.4Confident87Confident55 Ų5581.9 Ų81.929%0.28841%0.41SS..Hα-helixtrans-62.8-43.3174.1-72165.7000111.9E628 L635 N636 L820E628-L632 HydrophobicContact CG-CD1 3.81Å; E628-L632 WeakPolarHBondContact O-CB 3.42Å; E628-L632 WeakPolarHBondContact O-CG 3.34Å; E628-L632 PolarHBondContact O-N 2.87Å; L632-L635 PolarHBondContact O-N 3.45Å; L632-N636 WeakPolarHBondContact O-CB 3.27Å; L632-N636 VanDerWaalsContact O-CG 3.25Å; L632-N636 PolarHBondContact O-N 3.37Å; L632-L820 HydrophobicContact CD2-CD2 3.94Å; L632-L820 HydrophobicContact CG-CD2 4.26Å
633S88.7Confident87.6Confident84 Ų8480.1 Ų80.159%0.58740%0.404SS*.Hα-helixtrans-62.1-47.7176.61760000112.3Q629 R630 L635 N636 G637Q629-S633 WeakPolarHBondContact O-CB 3.38Å; Q629-S633 PolarHBondContact O-N 2.82Å; R630-S633 PolarHBondContact O-N 2.78Å; S633-L635 VanDerWaalsContact C-N 3.35Å; S633-L635 PolarHBondContact O-N 2.99Å; S633-N636 PolarHBondContact O-N 2.89Å; S633-G637 PolarHBondContact O-N 2.97Å
634V93.6Very high88.3Confident101 Ų10179 Ų7961%0.61240%0.4SS*.Hα-helixtrans-62.8-41177.2170.90000111.4R630 K638R630-V634 WeakPolarHBondContact O-CG2 3.49Å; R630-V634 PolarHBondContact O-N 2.68Å; V634-K638 PolarHBondContact O-N 3.04Å
635L92.8Very high89.1Confident19 Ų1982.6 Ų82.610%0.09942%0.416CS..Hα-helixtrans-63.3-51.7175.1178.758.3000110.9A631 L632 S633 G637 K638 L639 D816 Q817 L820A631-L635 WeakPolarHBondContact O-CB 3.48Å; A631-L635 PolarHBondContact O-N 2.83Å; L632-L635 PolarHBondContact O-N 3.45Å; S633-L635 VanDerWaalsContact C-N 3.35Å; S633-L635 PolarHBondContact O-N 2.99Å; L635-G637 VanDerWaalsContact C-N 3.31Å; L635-G637 PolarHBondContact O-N 3.07Å; L635-K638 HydrophobicContact CD1-CD 4.38Å; L635-K638 WeakPolarHBondContact O-CA 3.32Å; L635-K638 WeakPolarHBondContact O-CB 3.48Å; L635-K638 PolarHBondContact O-N 3.25Å; L635-L639 HydrophobicContact CD1-CD1 4.15Å; L635-L639 HydrophobicContact CD1-CD2 4.03Å; L635-L639 HydrophobicContact CD1-CG 3.92Å; L635-L639 HydrophobicContact CG-CD1 3.95Å; L635-L639 HydrophobicContact CG-CG 4.15Å; L635-L639 WeakPolarHBondContact O-CG 3.49Å; L635-L639 PolarHBondContact O-N 3.47Å; L635-D816 HydrophobicContact CD1-CB 4.04Å; L635-Q817 HydrophobicContact CD2-CB 4.46Å; L635-Q817 HydrophobicContact CD2-CG 3.94Å; L635-L820 HydrophobicContact CB-CD2 4.13Å; L635-L820 HydrophobicContact CD2-CB 4.13Å; L635-L820 HydrophobicContact CD2-CD2 3.75Å
636N87.4Confident89.6Confident84 Ų8480 Ų8045%0.44941%0.405SS..Hα-helixtrans-58.8-41-178.2-72.4-10.9000112.2L632 S633 K638 L639 E640L632-N636 WeakPolarHBondContact O-CB 3.27Å; L632-N636 VanDerWaalsContact O-CG 3.25Å; L632-N636 PolarHBondContact O-N 3.37Å; S633-N636 PolarHBondContact O-N 2.89Å; N636-K638 PolarHBondContact O-N 2.78Å; N636-L639 PolarHBondContact O-N 3.25Å; N636-E640 WeakPolarHBondContact O-CB 3.3Å; N636-E640 PolarHBondContact O-N 3.35Å
637G91.6Very high90Very high48 Ų4876.1 Ų76.150%0.49539%0.39SS..Hα-helixtrans-61.6-39.2173.800000113.8S633 L635 S641S633-G637 PolarHBondContact O-N 2.97Å; L635-G637 VanDerWaalsContact C-N 3.31Å; L635-G637 PolarHBondContact O-N 3.07Å; G637-S641 PolarHBondContact O-N 3.01Å; G637-S641 VanDerWaalsContact O-N 3.15Å
638K94.9Very high90.5Very high100 Ų10079.5 Ų79.544%0.43540%0.403SS..Hα-helixtrans-63.5-44.5172.6177-159.7171.2-158.60111.4V634 L635 N636 Q642 D816V634-K638 PolarHBondContact O-N 3.04Å; L635-K638 HydrophobicContact CD1-CD 4.38Å; L635-K638 WeakPolarHBondContact O-CA 3.32Å; L635-K638 WeakPolarHBondContact O-CB 3.48Å; L635-K638 PolarHBondContact O-N 3.25Å; N636-K638 PolarHBondContact O-N 2.78Å; K638-Q642 WeakPolarHBondContact O-CG 3.35Å; K638-Q642 PolarHBondContact O-N 3.2Å; K638-Q642 VanDerWaalsContact O-N 3.11Å; K638-D816 IonicContact NZ-OD2 3.69Å; K638-D816 PolarHBondContact NZ-OD2 3.42Å
639L91.6Very high91Very high7 Ų782 Ų824%0.03741%0.409CS..Hα-helixtrans-65.8-38.9-179.4-62.9-179000111.9L635 N636 Q642 R643 Q813 Q817L635-L639 HydrophobicContact CD1-CD1 4.15Å; L635-L639 HydrophobicContact CD1-CD2 4.03Å; L635-L639 HydrophobicContact CD1-CG 3.92Å; L635-L639 HydrophobicContact CG-CD1 3.95Å; L635-L639 HydrophobicContact CG-CG 4.15Å; L635-L639 WeakPolarHBondContact O-CG 3.49Å; L635-L639 PolarHBondContact O-N 3.47Å; N636-L639 PolarHBondContact O-N 3.25Å; L639-Q642 PolarHBondContact O-N 3.15Å; L639-R643 PolarHBondContact O-N 2.83Å; L639-Q813 HydrophobicContact CD1-CB 4.2Å; L639-Q813 HydrophobicContact CD2-CB 3.78Å; L639-Q813 HydrophobicContact CD2-CG 3.75Å; L639-Q813 HydrophobicContact CG-CB 4.47Å; L639-Q813 PolarHBondContact O-NE2 2.85Å; L639-Q817 HydrophobicContact CD1-CG 3.94Å
640E90.8Very high91.6Very high81 Ų8180 Ų8038%0.37940%0.399SS..Hα-helixtrans-62.5-52.2176-164.666-167.200111.1N636 Q642 R643 E644N636-E640 WeakPolarHBondContact O-CB 3.3Å; N636-E640 PolarHBondContact O-N 3.35Å; E640-Q642 VanDerWaalsContact C-N 3.28Å; E640-Q642 PolarHBondContact O-N 2.92Å; E640-R643 WeakPolarHBondContact O-CA 3.42Å; E640-R643 WeakPolarHBondContact O-CB 3.5Å; E640-R643 PolarHBondContact O-N 3.24Å; E640-R643 IonicContact OE1-CZ 2.81Å; E640-R643 IonicContact OE1-NH1 2.7Å; E640-R643 PolarHBondContact OE1-NH1 3.43Å; E640-R643 VanDerWaalsContact OE1-NH1 3.09Å; E640-R643 IonicContact OE1-NH2 2.66Å; E640-R643 PolarHBondContact OE1-NH2 3.31Å; E640-R643 IonicContact OE2-CZ 2.7Å; E640-R643 IonicContact OE2-NH1 2.7Å; E640-R643 PolarHBondContact OE2-NH1 2.99Å; E640-R643 IonicContact OE2-NH2 2.68Å; E640-E644 PolarHBondContact O-N 3.05Å
641S93.8Very high91.8Very high70 Ų7074.9 Ų74.949%0.4939%0.385SS..Hα-helixtrans-59.7-36179.7-171.80000113G637 Q645G637-S641 PolarHBondContact O-N 3.01Å; G637-S641 VanDerWaalsContact O-N 3.15Å; S641-Q645 WeakPolarHBondContact O-CB 3.46Å; S641-Q645 PolarHBondContact O-N 3.06Å
642Q92.7Very high92.2Very high61 Ų6179 Ų7929%0.28540%0.399SS..Hα-helixtrans-63.7-41172.3-74.7177.3-20.500112.7K638 L639 E640 Q645 I646 L809K638-Q642 WeakPolarHBondContact O-CG 3.35Å; K638-Q642 PolarHBondContact O-N 3.2Å; K638-Q642 VanDerWaalsContact O-N 3.11Å; L639-Q642 PolarHBondContact O-N 3.15Å; E640-Q642 VanDerWaalsContact C-N 3.28Å; E640-Q642 PolarHBondContact O-N 2.92Å; Q642-Q645 PolarHBondContact O-N 3.12Å; Q642-I646 PolarHBondContact O-N 3.41Å; Q642-I646 VanDerWaalsContact O-N 3.13Å; Q642-L809 HydrophobicContact CB-CD1 4.1Å
643R89.6Confident92.6Very high121 Ų12180.9 Ų80.946%0.45741%0.406SS..Hα-helixtrans-65.7-44.7179.2-162.6-173.877.4-125.5-6.4111.1L639 E640 Q647 L809L639-R643 PolarHBondContact O-N 2.83Å; E640-R643 WeakPolarHBondContact O-CA 3.42Å; E640-R643 WeakPolarHBondContact O-CB 3.5Å; E640-R643 PolarHBondContact O-N 3.24Å; E640-R643 IonicContact OE1-CZ 2.81Å; E640-R643 IonicContact OE1-NH1 2.7Å; E640-R643 PolarHBondContact OE1-NH1 3.43Å; E640-R643 VanDerWaalsContact OE1-NH1 3.09Å; E640-R643 IonicContact OE1-NH2 2.66Å; E640-R643 PolarHBondContact OE1-NH2 3.31Å; E640-R643 IonicContact OE2-CZ 2.7Å; E640-R643 IonicContact OE2-NH1 2.7Å; E640-R643 PolarHBondContact OE2-NH1 2.99Å; E640-R643 IonicContact OE2-NH2 2.68Å; R643-Q647 PolarHBondContact O-N 3.01Å; R643-Q647 VanDerWaalsContact O-N 3.12Å; R643-L809 HydrophobicContact CB-CD2 4.42Å
644E93.8Very high92.8Very high119 Ų11977.6 Ų77.656%0.55638%0.382SS*.Hα-helixtrans-60.3-45.3173.4-66.9-172.7147.100112.1E640 I646 Q647 K648E640-E644 PolarHBondContact O-N 3.05Å; E644-I646 PolarHBondContact O-N 3.42Å; E644-Q647 PolarHBondContact O-N 3.22Å; E644-K648 VanDerWaalsContact O-CB 3.27Å; E644-K648 WeakPolarHBondContact O-CB 3.47Å; E644-K648 PolarHBondContact O-N 2.92Å
645Q94.4Very high92.9Very high106 Ų10677.1 Ų77.150%0.49538%0.376SS..Hα-helixtrans-63.1-41.1-177-165.8-17542.200112.1S641 Q642 R649S641-Q645 WeakPolarHBondContact O-CB 3.46Å; S641-Q645 PolarHBondContact O-N 3.06Å; Q642-Q645 PolarHBondContact O-N 3.12Å; Q645-R649 WeakPolarHBondContact O-CG 3.37Å; Q645-R649 PolarHBondContact O-N 3.21Å; Q645-R649 VanDerWaalsContact O-N 3.1Å
646I90.6Very high93Very high49 Ų4979.2 Ų79.225%0.25140%0.396SS..Hα-helixtrans-68.9-44.5177.2-80.7163.1000111.3Q642 E644 K648 R649 F650 L809Q642-I646 PolarHBondContact O-N 3.41Å; Q642-I646 VanDerWaalsContact O-N 3.13Å; E644-I646 PolarHBondContact O-N 3.42Å; I646-K648 VanDerWaalsContact C-N 3.35Å; I646-K648 PolarHBondContact O-N 2.88Å; I646-R649 PolarHBondContact O-N 3.4Å; I646-F650 PolarHBondContact O-N 3.49Å; I646-L809 HydrophobicContact CD1-CB 4.26Å; I646-L809 HydrophobicContact CD1-CD1 4.02Å; I646-L809 HydrophobicContact CD1-CD2 3.84Å; I646-L809 HydrophobicContact CD1-CG 4.24Å
647Q90.9Very high93.4Very high65 Ų6579.3 Ų79.330%0.30439%0.393SS..Hα-helixtrans-59.8-45.5176.1-177.957.845.300111.4R643 E644 R649 F650 D651R643-Q647 PolarHBondContact O-N 3.01Å; R643-Q647 VanDerWaalsContact O-N 3.12Å; E644-Q647 PolarHBondContact O-N 3.22Å; Q647-R649 PolarHBondContact O-N 3.28Å; Q647-F650 PolarHBondContact O-N 3.43Å; Q647-D651 PolarHBondContact NE2-OD1 2.81Å; Q647-D651 PolarHBondContact NE2-OD2 2.98Å; Q647-D651 PolarHBondContact O-N 2.81Å
648K94.8Very high93.5Very high140 Ų14080.5 Ų80.561%0.60938%0.384SS*.Hα-helixtrans-62.4-38.3178.6-173.4172.2-1771730113.2E644 I646 Q652E644-K648 VanDerWaalsContact O-CB 3.27Å; E644-K648 WeakPolarHBondContact O-CB 3.47Å; E644-K648 PolarHBondContact O-N 2.92Å; I646-K648 VanDerWaalsContact C-N 3.35Å; I646-K648 PolarHBondContact O-N 2.88Å; K648-Q652 WeakPolarHBondContact O-CB 3.47Å; K648-Q652 VanDerWaalsContact O-CG 3.24Å; K648-Q652 WeakPolarHBondContact O-CG 3.47Å; K648-Q652 PolarHBondContact O-N 2.76Å; K648-Q652 VanDerWaalsContact O-N 3.15Å
649R93.9Very high93.6Very high130 Ų13082.9 Ų82.949%0.49139%0.394SS..Hα-helixtrans-65-47.6173.5-73.5178.8-166.2-1538.3111.3Q645 I646 Q647 D651 Q652 E653Q645-R649 WeakPolarHBondContact O-CG 3.37Å; Q645-R649 PolarHBondContact O-N 3.21Å; Q645-R649 VanDerWaalsContact O-N 3.1Å; I646-R649 PolarHBondContact O-N 3.4Å; Q647-R649 PolarHBondContact O-N 3.28Å; R649-D651 PolarHBondContact O-N 2.97Å; R649-Q652 WeakPolarHBondContact O-CB 3.26Å; R649-Q652 PolarHBondContact O-N 3.19Å; R649-E653 WeakPolarHBondContact O-CG 3.27Å; R649-E653 PolarHBondContact O-N 3.07Å
650F94.9Very high93.8Very high32 Ų3287 Ų8714%0.1441%0.413CS..Hα-helixtrans-58-45.2178.3171.8-103.4000112.4I646 Q647 Q652 E653 I654 N802I646-F650 PolarHBondContact O-N 3.49Å; Q647-F650 PolarHBondContact O-N 3.43Å; F650-Q652 VanDerWaalsContact C-N 3.32Å; F650-Q652 PolarHBondContact O-N 3.22Å; F650-E653 PolarHBondContact O-N 3.15Å; F650-I654 HydrophobicContact CD2-CD1 4.37Å; F650-I654 HydrophobicContact CD2-CG1 4.35Å; F650-I654 HydrophobicContact CE1-CD1 3.76Å; F650-I654 HydrophobicContact CE1-CG1 4.47Å; F650-I654 HydrophobicContact CE2-CD1 3.51Å; F650-I654 HydrophobicContact CE2-CG1 3.9Å; F650-I654 HydrophobicContact CZ-CD1 3.17Å; F650-I654 HydrophobicContact CZ-CG1 4Å; F650-I654 WeakPolarHBondContact O-CB 3.49Å; F650-I654 PolarHBondContact O-N 3.2Å; F650-N802 WeakPolarHBondContact CD1-ND2 3.48Å; F650-N802 HydrophobicContact CD2-CB 3.48Å; F650-N802 VanDerWaalsContact CD2-CB 3.48Å; F650-N802 VanDerWaalsContact CD2-ND2 3.29Å; F650-N802 WeakPolarHBondContact CD2-ND2 3.47Å; F650-N802 WeakPolarHBondContact CE1-ND2 3.48Å; F650-N802 HydrophobicContact CE2-CB 3.37Å; F650-N802 WeakPolarHBondContact CE2-ND2 3.34Å; F650-N802 HydrophobicContact CG-CB 4.2Å; F650-N802 WeakPolarHBondContact CG-ND2 3.34Å; F650-N802 HydrophobicContact CZ-CB 4.02Å; F650-N802 WeakPolarHBondContact CZ-ND2 3.36Å
651D93.7Very high94Very high68 Ų6883.7 Ų83.736%0.36440%0.398SS..Hα-helixtrans-66.2-34.4178.3-66.5-35.9000112.2Q647 R649 N655Q647-D651 PolarHBondContact NE2-OD1 2.81Å; Q647-D651 PolarHBondContact NE2-OD2 2.98Å; Q647-D651 PolarHBondContact O-N 2.81Å; R649-D651 PolarHBondContact O-N 2.97Å; D651-N655 VanDerWaalsContact O-CB 3.3Å; D651-N655 WeakPolarHBondContact O-CB 3.21Å; D651-N655 PolarHBondContact O-N 2.67Å; D651-N655 VanDerWaalsContact O-N 3.12Å; D651-N655 PolarHBondContact O-ND2 3Å
652Q95Very high94Very high119 Ų11983.6 Ų83.656%0.55639%0.392SS*.Hα-helixtrans-66.7-48.5172.7-74.6173.2-2100111.9K648 R649 F650 N655 A656K648-Q652 WeakPolarHBondContact O-CB 3.47Å; K648-Q652 VanDerWaalsContact O-CG 3.24Å; K648-Q652 WeakPolarHBondContact O-CG 3.47Å; K648-Q652 PolarHBondContact O-N 2.76Å; K648-Q652 VanDerWaalsContact O-N 3.15Å; R649-Q652 WeakPolarHBondContact O-CB 3.26Å; R649-Q652 PolarHBondContact O-N 3.19Å; F650-Q652 VanDerWaalsContact C-N 3.32Å; F650-Q652 PolarHBondContact O-N 3.22Å; Q652-N655 PolarHBondContact O-N 2.67Å; Q652-A656 WeakPolarHBondContact O-CB 3.41Å; Q652-A656 PolarHBondContact O-N 2.89Å
653E94.9Very high94.1Very high95 Ų9583.5 Ų83.544%0.44440%0.395SS..Hα-helixtrans-61.6-46.1178.6-71.9178.3-151.200111.6R649 F650 N655 A656 K657 M798R649-E653 WeakPolarHBondContact O-CG 3.27Å; R649-E653 PolarHBondContact O-N 3.07Å; F650-E653 PolarHBondContact O-N 3.15Å; E653-N655 PolarHBondContact O-N 3.39Å; E653-A656 PolarHBondContact O-N 2.73Å; E653-K657 PolarHBondContact O-N 2.85Å; E653-M798 HydrophobicContact CB-CE 3.6Å
654I93.8Very high94.4Very high14 Ų1481.5 Ų81.57%0.07239%0.391CS..Hα-helixtrans-62.4-43.5177.9-86.5-159.6000111.8F650 K657 K658 L795 M798F650-I654 HydrophobicContact CD2-CD1 4.37Å; F650-I654 HydrophobicContact CD2-CG1 4.35Å; F650-I654 HydrophobicContact CE1-CD1 3.76Å; F650-I654 HydrophobicContact CE1-CG1 4.47Å; F650-I654 HydrophobicContact CE2-CD1 3.51Å; F650-I654 HydrophobicContact CE2-CG1 3.9Å; F650-I654 HydrophobicContact CZ-CD1 3.17Å; F650-I654 HydrophobicContact CZ-CG1 4Å; F650-I654 WeakPolarHBondContact O-CB 3.49Å; F650-I654 PolarHBondContact O-N 3.2Å; I654-K657 PolarHBondContact O-N 2.93Å; I654-K658 HydrophobicContact CG2-CD 3.86Å; I654-K658 VanDerWaalsContact CG2-CE 3.45Å; I654-K658 HydrophobicContact CG2-CG 4.46Å; I654-K658 VanDerWaalsContact CG2-NZ 3.26Å; I654-K658 WeakPolarHBondContact O-CB 3.48Å; I654-K658 WeakPolarHBondContact O-CG 3.43Å; I654-K658 PolarHBondContact O-N 2.94Å; I654-L795 HydrophobicContact CD1-CD2 4.25Å; I654-L795 HydrophobicContact CG1-CD2 4.23Å; I654-L795 HydrophobicContact CG2-CD2 4.31Å; I654-M798 HydrophobicContact CG1-CE 3.77Å; I654-M798 HydrophobicContact CG1-SD 4.4Å
655N94.6Very high94.4Very high92 Ų9277.9 Ų77.949%0.49238%0.375SS..Hα-helixtrans-71.8-32.8-178.1-70.9-33000111.9D651 Q652 E653 K659D651-N655 VanDerWaalsContact O-CB 3.3Å; D651-N655 WeakPolarHBondContact O-CB 3.21Å; D651-N655 PolarHBondContact O-N 2.67Å; D651-N655 VanDerWaalsContact O-N 3.12Å; D651-N655 PolarHBondContact O-ND2 3Å; Q652-N655 PolarHBondContact O-N 2.67Å; E653-N655 PolarHBondContact O-N 3.39Å; N655-K659 WeakPolarHBondContact O-CB 3.38Å; N655-K659 PolarHBondContact O-N 3.06Å
656A96.1Very high94.4Very high63 Ų6379 Ų7952%0.52138%0.38SS..Hα-helixtrans-63.4-47.2170.200000112Q652 E653 K659 H660Q652-A656 WeakPolarHBondContact O-CB 3.41Å; Q652-A656 PolarHBondContact O-N 2.89Å; E653-A656 PolarHBondContact O-N 2.73Å; A656-K659 PolarHBondContact O-N 2.84Å; A656-H660 PolarHBondContact O-N 3.1Å
657K94.5Very high94.6Very high86 Ų8680.4 Ų80.437%0.37439%0.388SS..Hα-helixtrans-66-41.5178.2-83.4-70-168171.60113.1E653 I654 H660 F661 T794 M798E653-K657 PolarHBondContact O-N 2.85Å; I654-K657 PolarHBondContact O-N 2.93Å; K657-H660 PolarHBondContact O-N 3.39Å; K657-F661 HydrophobicContact CD-CE2 4.45Å; K657-F661 VanDerWaalsContact O-CD2 3.26Å; K657-F661 WeakPolarHBondContact O-CD2 3.22Å; K657-F661 PolarHBondContact O-N 3.48Å; K657-T794 HydrophobicContact CD-CG2 4.1Å; K657-T794 HydrophobicContact CG-CG2 4.42Å; K657-M798 HydrophobicContact CB-SD 4.18Å; K657-M798 HydrophobicContact CG-CE 4.4Å; K657-M798 HydrophobicContact CG-SD 3.92Å
658K94.3Very high94.7Very high72 Ų7278.7 Ų78.731%0.31338%0.381SS..Hα-helixtrans-55.7-55.8171.7-76168.9179.1164.40110.9I654 H660 F661 D662 L795I654-K658 HydrophobicContact CG2-CD 3.86Å; I654-K658 VanDerWaalsContact CG2-CE 3.45Å; I654-K658 HydrophobicContact CG2-CG 4.46Å; I654-K658 VanDerWaalsContact CG2-NZ 3.26Å; I654-K658 WeakPolarHBondContact O-CB 3.48Å; I654-K658 WeakPolarHBondContact O-CG 3.43Å; I654-K658 PolarHBondContact O-N 2.94Å; K658-H660 PolarHBondContact O-N 2.96Å; K658-F661 PolarHBondContact O-N 3.39Å; K658-D662 WeakPolarHBondContact O-CB 3.31Å; K658-D662 PolarHBondContact O-N 2.72Å; K658-L795 HydrophobicContact CG-CD1 4.35Å; K658-L795 HydrophobicContact CG-CD2 4.15Å
659K96.1Very high94.5Very high151 Ų15176 Ų7666%0.65737%0.371SS*.Hα-helixtrans-55.4-39.3-179.7-175.4178.9178.6-176.60112.5N655 A656 T663N655-K659 WeakPolarHBondContact O-CB 3.38Å; N655-K659 PolarHBondContact O-N 3.06Å; A656-K659 PolarHBondContact O-N 2.84Å; K659-T663 WeakPolarHBondContact O-CB 3.14Å; K659-T663 PolarHBondContact O-N 3.42Å; K659-T663 PolarHBondContact O-OG1 3.28Å
660H96Very high94.5Very high93 Ų9375.8 Ų75.843%0.43137%0.374SS..Hα-helixtrans-60.8-54.9176.4171.342.6000112.2A656 K657 K658 D662 T663 E664A656-H660 PolarHBondContact O-N 3.1Å; K657-H660 PolarHBondContact O-N 3.39Å; K658-H660 PolarHBondContact O-N 2.96Å; H660-D662 VanDerWaalsContact C-N 3.31Å; H660-D662 PolarHBondContact O-N 3.43Å; H660-T663 WeakPolarHBondContact O-CB 3.45Å; H660-T663 PolarHBondContact O-N 3.31Å; H660-E664 PolarHBondContact O-N 2.88Å
661F95.5Very high94.4Very high12 Ų1279 Ų795%0.05339%0.392CS..Hα-helixtrans-64.7-34.3178.2-73.2-70000113.1K657 K658 T663 E664 L665 E790 R791 T794K657-F661 HydrophobicContact CD-CE2 4.45Å; K657-F661 VanDerWaalsContact O-CD2 3.26Å; K657-F661 WeakPolarHBondContact O-CD2 3.22Å; K657-F661 PolarHBondContact O-N 3.48Å; K658-F661 PolarHBondContact O-N 3.39Å; F661-T663 VanDerWaalsContact C-N 3.29Å; F661-T663 PolarHBondContact O-N 3.04Å; F661-E664 PolarHBondContact O-N 3.11Å; F661-L665 WeakPolarHBondContact O-CB 3.24Å; F661-L665 PolarHBondContact O-N 2.79Å; F661-E790 HydrophobicContact CE1-CB 4.22Å; F661-E790 HydrophobicContact CE1-CG 3.92Å; F661-E790 HydrophobicContact CZ-CG 4.02Å; F661-R791 HydrophobicContact CB-CB 3.91Å; F661-R791 HydrophobicContact CB-CG 3.61Å; F661-R791 HydrophobicContact CD1-CB 3.91Å; F661-R791 HydrophobicContact CD1-CG 4.49Å; F661-R791 HydrophobicContact CD2-CB 3.85Å; F661-R791 HydrophobicContact CD2-CG 3.75Å; F661-R791 HydrophobicContact CE1-CB 4.37Å; F661-R791 HydrophobicContact CE2-CB 4.31Å; F661-R791 HydrophobicContact CG-CB 3.63Å; F661-R791 HydrophobicContact CG-CG 3.72Å; F661-T794 HydrophobicContact CE2-CG2 4.05Å; F661-T794 WeakPolarHBondContact CZ-OG1 3.32Å
662D93.6Very high94.4Very high68 Ų6878.1 Ų78.136%0.36439%0.385SS..Hα-helixtrans-66.4-34.2177-60-17.8000110.9K658 H660 E666 R791K658-D662 WeakPolarHBondContact O-CB 3.31Å; K658-D662 PolarHBondContact O-N 2.72Å; H660-D662 VanDerWaalsContact C-N 3.31Å; H660-D662 PolarHBondContact O-N 3.43Å; D662-E666 PolarHBondContact O-N 3.36Å; D662-R791 IonicContact OD1-CZ 2.68Å; D662-R791 IonicContact OD1-NE 3.37Å; D662-R791 PolarHBondContact OD1-NE 3.41Å; D662-R791 IonicContact OD1-NH2 3.81Å; D662-R791 PolarHBondContact OD1-NH2 3.14Å; D662-R791 IonicContact OD2-NH2 3.58Å; D662-R791 PolarHBondContact OD2-NH2 3.01Å
663T95.9Very high94.3Very high58 Ų5879.6 Ų79.636%0.35639%0.39SS..Hα-helixtrans-70.4-43.8173-51.50000111.6K659 H660 F661 L665 E666 N667K659-T663 WeakPolarHBondContact O-CB 3.14Å; K659-T663 PolarHBondContact O-N 3.42Å; K659-T663 PolarHBondContact O-OG1 3.28Å; H660-T663 WeakPolarHBondContact O-CB 3.45Å; H660-T663 PolarHBondContact O-N 3.31Å; F661-T663 VanDerWaalsContact C-N 3.29Å; F661-T663 PolarHBondContact O-N 3.04Å; T663-L665 VanDerWaalsContact C-N 3.29Å; T663-L665 PolarHBondContact O-N 3.12Å; T663-E666 PolarHBondContact O-N 2.99Å; T663-N667 PolarHBondContact O-N 2.67Å; T663-N667 PolarHBondContact O-ND2 2.64Å
664E95.2Very high94.3Very high80 Ų8080.4 Ų80.437%0.37439%0.394SS..Hα-helixtrans-66.8-31.8179-70.4-6089.200112.6H660 F661 N667 L668H660-E664 PolarHBondContact O-N 2.88Å; F661-E664 PolarHBondContact O-N 3.11Å; E664-N667 PolarHBondContact O-N 3.09Å; E664-N667 PolarHBondContact OE1-ND2 3.01Å; E664-L668 WeakPolarHBondContact O-CB 3.29Å; E664-L668 PolarHBondContact O-N 3.04Å
665L93Very high94.2Very high42 Ų4282.3 Ų82.322%0.2241%0.406CS..Hα-helixtrans-65.1-45.4172-172.965.2000111.7F661 T663 L668 E669 K784F661-L665 WeakPolarHBondContact O-CB 3.24Å; F661-L665 PolarHBondContact O-N 2.79Å; T663-L665 VanDerWaalsContact C-N 3.29Å; T663-L665 PolarHBondContact O-N 3.12Å; L665-L668 PolarHBondContact O-N 3.44Å; L665-E669 WeakPolarHBondContact O-CG 3.48Å; L665-E669 PolarHBondContact O-N 3.12Å; L665-K784 HydrophobicContact CD1-CD 4.05Å; L665-K784 HydrophobicContact CD1-CG 3.81Å
666E94.3Very high94.2Very high130 Ų13079 Ų7961%0.60739%0.388SS*.Hα-helixtrans-62.5-42.5174.8-171.8-176.217200111.6D662 T663 L668 E669 K670D662-E666 PolarHBondContact O-N 3.36Å; T663-E666 PolarHBondContact O-N 2.99Å; E666-L668 PolarHBondContact O-N 2.89Å; E666-E669 PolarHBondContact O-N 2.82Å; E666-K670 VanDerWaalsContact O-CB 3.25Å; E666-K670 WeakPolarHBondContact O-CB 3.35Å; E666-K670 PolarHBondContact O-N 3.22Å
667N94.8Very high94.1Very high78 Ų7881.2 Ų81.242%0.41739%0.388SS..Hα-helixtrans-58.6-45.2174.7-76.1-27.4000111.8T663 E664 L671T663-N667 PolarHBondContact O-N 2.67Å; T663-N667 PolarHBondContact O-ND2 2.64Å; E664-N667 PolarHBondContact O-N 3.09Å; E664-N667 PolarHBondContact OE1-ND2 3.01Å; N667-L671 WeakPolarHBondContact O-CB 3.2Å; N667-L671 PolarHBondContact O-N 3.22Å
668L93.4Very high94.1Very high29 Ų2983.8 Ų83.815%0.15240%0.399CS..Hα-helixtrans-66.4-44.6179-178.863.3000112.3E664 L665 E666 K670 L671 Q672 K783 K784 L787E664-L668 WeakPolarHBondContact O-CB 3.29Å; E664-L668 PolarHBondContact O-N 3.04Å; L665-L668 PolarHBondContact O-N 3.44Å; E666-L668 PolarHBondContact O-N 2.89Å; L668-K670 VanDerWaalsContact C-N 3.32Å; L668-K670 PolarHBondContact O-N 3.29Å; L668-L671 PolarHBondContact O-N 3.37Å; L668-Q672 WeakPolarHBondContact O-CB 3.32Å; L668-Q672 PolarHBondContact O-N 2.94Å; L668-K783 HydrophobicContact CD1-CB 4.47Å; L668-K783 HydrophobicContact CD2-CB 4.01Å; L668-K784 HydrophobicContact CD2-CB 3.95Å; L668-L787 HydrophobicContact CB-CD1 4.38Å; L668-L787 HydrophobicContact CD2-CD1 3.76Å
669E90.8Very high94.1Very high85 Ų8582 Ų8240%0.39739%0.392SS..Hα-helixtrans-62.7-40177.8-72.8-176.8-179.500112L665 E666 Q672 K673 K784L665-E669 WeakPolarHBondContact O-CG 3.48Å; L665-E669 PolarHBondContact O-N 3.12Å; E666-E669 PolarHBondContact O-N 2.82Å; E669-Q672 PolarHBondContact O-N 2.85Å; E669-K673 PolarHBondContact O-N 3.24Å; E669-K784 WeakPolarHBondContact OE1-CE 3.41Å; E669-K784 IonicContact OE1-NZ 3.6Å; E669-K784 PolarHBondContact OE1-NZ 3.03Å
670K94.3Very high93.9Very high125 Ų12580.1 Ų80.154%0.54339%0.386SS..Hα-helixtrans-64.8-42.9175.2-173.6176.1-177.6176.60112.1E666 L668 K673 Q674E666-K670 VanDerWaalsContact O-CB 3.25Å; E666-K670 WeakPolarHBondContact O-CB 3.35Å; E666-K670 PolarHBondContact O-N 3.22Å; L668-K670 VanDerWaalsContact C-N 3.32Å; L668-K670 PolarHBondContact O-N 3.29Å; K670-K673 PolarHBondContact O-N 3.5Å; K670-Q674 WeakPolarHBondContact O-CG 3.48Å; K670-Q674 PolarHBondContact O-N 3.09Å; K670-Q674 VanDerWaalsContact O-N 3.11Å
671L92.9Very high93.8Very high100 Ų10079.6 Ų79.652%0.52439%0.389SS..Hα-helixtrans-67.5-40.8176.5-17862.1000112N667 L668 Q674 T675N667-L671 WeakPolarHBondContact O-CB 3.2Å; N667-L671 PolarHBondContact O-N 3.22Å; L668-L671 PolarHBondContact O-N 3.37Å; L671-Q674 PolarHBondContact O-N 3.01Å; L671-T675 WeakPolarHBondContact O-CB 3.24Å; L671-T675 PolarHBondContact O-N 3.47Å; L671-T675 PolarHBondContact O-OG1 2.98Å
672Q92.6Very high93.8Very high48 Ų4883.1 Ų83.122%0.22441%0.406CS..Hα-helixtrans-56.4-53.5172.4174.4177.10.600110L668 E669 Q674 T675 I676 C780L668-Q672 WeakPolarHBondContact O-CB 3.32Å; L668-Q672 PolarHBondContact O-N 2.94Å; E669-Q672 PolarHBondContact O-N 2.85Å; Q672-Q674 PolarHBondContact O-N 3.11Å; Q672-T675 WeakPolarHBondContact O-CB 3.11Å; Q672-T675 PolarHBondContact O-N 3.02Å; Q672-I676 HydrophobicContact CG-CG1 4.38Å; Q672-I676 WeakPolarHBondContact O-CG1 3.43Å; Q672-I676 PolarHBondContact O-N 2.87Å; Q672-C780 HydrophobicContact CB-CB 4.09Å; Q672-C780 HydrophobicContact CG-CB 3.71Å
673K92.9Very high93.8Very high150 Ų15080.5 Ų80.565%0.65239%0.391SS*.Hα-helixtrans-55.9-48.9-179-176.2178176.6-1790112.1E669 K670 T675 I676 E677E669-K673 PolarHBondContact O-N 3.24Å; K670-K673 PolarHBondContact O-N 3.5Å; K673-T675 VanDerWaalsContact C-N 3.27Å; K673-T675 PolarHBondContact O-N 3.49Å; K673-I676 PolarHBondContact O-N 3.05Å; K673-E677 WeakPolarHBondContact O-CB 3.35Å; K673-E677 PolarHBondContact O-N 3.18Å
674Q94.8Very high93.7Very high113 Ų11380 Ų8053%0.52839%0.39SS..Hα-helixtrans-61.8-34.5177.4-72.2179.8-10.500112.8K670 L671 Q672 K678K670-Q674 WeakPolarHBondContact O-CG 3.48Å; K670-Q674 PolarHBondContact O-N 3.09Å; K670-Q674 VanDerWaalsContact O-N 3.11Å; L671-Q674 PolarHBondContact O-N 3.01Å; Q672-Q674 PolarHBondContact O-N 3.11Å; Q674-K678 VanDerWaalsContact O-CB 3.28Å; Q674-K678 WeakPolarHBondContact O-CB 3.44Å; Q674-K678 PolarHBondContact O-N 3.06Å
675T93.5Very high93.6Very high53 Ų5381 Ų8133%0.32540%0.397SS..Hα-helixtrans-71.3-44.8179-56.80000111.6L671 Q672 K673 K678 M679 T776L671-T675 WeakPolarHBondContact O-CB 3.24Å; L671-T675 PolarHBondContact O-N 3.47Å; L671-T675 PolarHBondContact O-OG1 2.98Å; Q672-T675 WeakPolarHBondContact O-CB 3.11Å; Q672-T675 PolarHBondContact O-N 3.02Å; K673-T675 VanDerWaalsContact C-N 3.27Å; K673-T675 PolarHBondContact O-N 3.49Å; T675-K678 PolarHBondContact O-N 3.47Å; T675-M679 WeakPolarHBondContact O-CG 3.25Å; T675-M679 PolarHBondContact O-N 2.82Å; T675-T776 HydrophobicContact CG2-CG2 4.06Å
676I92.9Very high93.5Very high22 Ų2283.4 Ų83.411%0.11341%0.406CS..Hα-helixtrans-63.7-48.5176-57.9-51.1000110.6Q672 K673 K678 M679 E680 I773 T776 E777Q672-I676 HydrophobicContact CG-CG1 4.38Å; Q672-I676 WeakPolarHBondContact O-CG1 3.43Å; Q672-I676 PolarHBondContact O-N 2.87Å; K673-I676 PolarHBondContact O-N 3.05Å; I676-K678 VanDerWaalsContact C-N 3.29Å; I676-K678 PolarHBondContact O-N 2.86Å; I676-M679 HydrophobicContact CD1-CE 3.7Å; I676-M679 PolarHBondContact O-N 3.44Å; I676-E680 HydrophobicContact CG2-CG 4.23Å; I676-E680 WeakPolarHBondContact O-CG 3.5Å; I676-E680 PolarHBondContact O-N 3.08Å; I676-I773 HydrophobicContact CG2-CG2 4.46Å; I676-T776 HydrophobicContact CD1-CG2 3.93Å; I676-E777 HydrophobicContact CD1-CG 3.83Å; I676-E777 HydrophobicContact CG1-CG 4.36Å
677E94.4Very high93.5Very high111 Ų11179.2 Ų79.252%0.51939%0.388SS..Hα-helixtrans-58.3-39178.7-175.8173.7-175.100112.3K673 T681K673-E677 WeakPolarHBondContact O-CB 3.35Å; K673-E677 PolarHBondContact O-N 3.18Å; E677-T681 WeakPolarHBondContact O-CG2 3.39Å; E677-T681 PolarHBondContact O-N 3.16Å; E677-T681 VanDerWaalsContact O-N 3.11Å; E677-T681 PolarHBondContact O-OG1 3.38Å
678K94.8Very high93.4Very high139 Ų13981.7 Ų81.760%0.60440%0.395SS*.Hα-helixtrans-65.2-43.9172.7-174.8-174.9173.5-168.90112.3Q674 T675 I676 T681 E682Q674-K678 VanDerWaalsContact O-CB 3.28Å; Q674-K678 WeakPolarHBondContact O-CB 3.44Å; Q674-K678 PolarHBondContact O-N 3.06Å; T675-K678 PolarHBondContact O-N 3.47Å; I676-K678 VanDerWaalsContact C-N 3.29Å; I676-K678 PolarHBondContact O-N 2.86Å; K678-T681 PolarHBondContact O-OG1 3.36Å; K678-E682 WeakPolarHBondContact O-CB 3.45Å; K678-E682 PolarHBondContact O-N 3.23Å
679M93.6Very high93.4Very high34 Ų3486.7 Ų86.717%0.16742%0.417CS..Hα-helixtrans-65.8-43177.2-71.9-163.1-54.500112T675 I676 T681 E682 H683 I773 T776T675-M679 WeakPolarHBondContact O-CG 3.25Å; T675-M679 PolarHBondContact O-N 2.82Å; I676-M679 HydrophobicContact CD1-CE 3.7Å; I676-M679 PolarHBondContact O-N 3.44Å; M679-T681 VanDerWaalsContact C-N 3.32Å; M679-T681 PolarHBondContact O-N 3.21Å; M679-E682 PolarHBondContact O-N 2.99Å; M679-H683 WeakPolarHBondContact O-CB 3.27Å; M679-H683 PolarHBondContact O-N 2.95Å; M679-I773 HydrophobicContact CE-CG1 4.06Å; M679-T776 HydrophobicContact CE-CG2 3.78Å; M679-T776 WeakPolarHBondContact CE-OG1 3.38Å
680E93.1Very high93.5Very high113 Ų11385 Ų8553%0.52841%0.41SS..Hα-helixtrans-60.5-40.9178-71.9-171.7135.800112.2I676 S684 I773I676-E680 HydrophobicContact CG2-CG 4.23Å; I676-E680 WeakPolarHBondContact O-CG 3.5Å; I676-E680 PolarHBondContact O-N 3.08Å; E680-S684 VanDerWaalsContact O-CB 3.25Å; E680-S684 WeakPolarHBondContact O-CB 3.33Å; E680-S684 PolarHBondContact O-N 3.34Å; E680-I773 HydrophobicContact CG-CD1 4.06Å
681T94.5Very high93.5Very high82 Ų8281.3 Ų81.350%0.50340%0.398SS..Hα-helixtrans-67.7-42.8175.249.80000112.1E677 K678 M679 S684 L685E677-T681 WeakPolarHBondContact O-CG2 3.39Å; E677-T681 PolarHBondContact O-N 3.16Å; E677-T681 VanDerWaalsContact O-N 3.11Å; E677-T681 PolarHBondContact O-OG1 3.38Å; K678-T681 PolarHBondContact O-OG1 3.36Å; M679-T681 VanDerWaalsContact C-N 3.32Å; M679-T681 PolarHBondContact O-N 3.21Å; T681-S684 WeakPolarHBondContact O-CB 3.39Å; T681-S684 PolarHBondContact O-N 2.88Å; T681-L685 WeakPolarHBondContact O-CG 3.4Å; T681-L685 PolarHBondContact O-N 2.98Å
682E93.8Very high93.6Very high86 Ų8684 Ų8440%0.40241%0.405SS..Hα-helixtrans-65.2-42.2176.1-166.2-179.4139.300112.4K678 M679 L685 K686K678-E682 WeakPolarHBondContact O-CB 3.45Å; K678-E682 PolarHBondContact O-N 3.23Å; M679-E682 PolarHBondContact O-N 2.99Å; E682-L685 PolarHBondContact O-N 3.12Å; E682-K686 HydrophobicContact CG-CD 4.41Å; E682-K686 WeakPolarHBondContact O-CG 3.48Å; E682-K686 PolarHBondContact O-N 3.09Å; E682-K686 WeakPolarHBondContact OE1-CE 3.46Å; E682-K686 IonicContact OE1-NZ 2.69Å; E682-K686 PolarHBondContact OE1-NZ 2.83Å
683H94.3Very high93.7Very high12 Ų1289.6 Ų89.66%0.05642%0.424CS..Hα-helixtrans-61.3-41.1172.7-75.1170.5000112M679 L687 N769 E772M679-H683 WeakPolarHBondContact O-CB 3.27Å; M679-H683 PolarHBondContact O-N 2.95Å; H683-L687 VanDerWaalsContact O-CB 3.3Å; H683-L687 WeakPolarHBondContact O-CB 3.3Å; H683-L687 PolarHBondContact O-N 2.67Å; H683-N769 HydrophobicContact CB-CB 4.3Å; H683-N769 WeakPolarHBondContact CB-ND2 3.46Å; H683-N769 PolarHBondContact CE1-O 3.04Å; H683-N769 VanDerWaalsContact CE1-O 3.3Å; H683-N769 WeakPolarHBondContact ND1-CB 3.47Å; H683-E772 IonicContact CD2-OE2 2.62Å; H683-E772 IonicContact CE1-OE2 3.8Å; H683-E772 IonicContact NE2-OE2 3.89Å; H683-E772 PolarHBondContact NE2-OE2 2.95Å
684S93.3Very high93.7Very high48 Ų4882.9 Ų82.934%0.33640%0.395SS..Hα-helixtrans-63.7-39.4175.1-1680000112E680 T681 K688E680-S684 VanDerWaalsContact O-CB 3.25Å; E680-S684 WeakPolarHBondContact O-CB 3.33Å; E680-S684 PolarHBondContact O-N 3.34Å; T681-S684 WeakPolarHBondContact O-CB 3.39Å; T681-S684 PolarHBondContact O-N 2.88Å; S684-K688 VanDerWaalsContact O-CD 3.27Å; S684-K688 WeakPolarHBondContact O-CD 3.47Å; S684-K688 VanDerWaalsContact O-CG 3.24Å; S684-K688 WeakPolarHBondContact O-CG 3.44Å; S684-K688 PolarHBondContact O-N 2.62Å; S684-K688 PolarHBondContact OG-NZ 2.86Å
685L94.2Very high93.6Very high101 Ų10183.5 Ų83.553%0.52940%0.396SS..Hα-helixtrans-67.8-53.4175.8-71.3168.7000111.4T681 E682 L687 K688 E689T681-L685 WeakPolarHBondContact O-CG 3.4Å; T681-L685 PolarHBondContact O-N 2.98Å; E682-L685 PolarHBondContact O-N 3.12Å; L685-L687 VanDerWaalsContact C-N 3.26Å; L685-L687 PolarHBondContact O-N 3.33Å; L685-K688 WeakPolarHBondContact O-CB 3.34Å; L685-K688 PolarHBondContact O-N 2.97Å; L685-E689 PolarHBondContact O-N 3.29Å
686K91.6Very high93.5Very high93 Ų9384 Ų8440%0.40440%0.399SS..Hα-helixtrans-52.3-43.7176.5-73.2170.6-178.71670112.1E682 E689 E690E682-K686 HydrophobicContact CG-CD 4.41Å; E682-K686 WeakPolarHBondContact O-CG 3.48Å; E682-K686 PolarHBondContact O-N 3.09Å; E682-K686 WeakPolarHBondContact OE1-CE 3.46Å; E682-K686 IonicContact OE1-NZ 2.69Å; E682-K686 PolarHBondContact OE1-NZ 2.83Å; K686-E689 PolarHBondContact O-N 3.28Å; K686-E690 WeakPolarHBondContact O-CB 3.19Å; K686-E690 PolarHBondContact O-N 2.82Å
687L93.5Very high93.5Very high42 Ų4286.5 Ų86.522%0.2241%0.41CS..Hα-helixtrans-63.8-41.4178.2-169.173000112.2H683 L685 T691 L762 I765 L766H683-L687 VanDerWaalsContact O-CB 3.3Å; H683-L687 WeakPolarHBondContact O-CB 3.3Å; H683-L687 PolarHBondContact O-N 2.67Å; L685-L687 VanDerWaalsContact C-N 3.26Å; L685-L687 PolarHBondContact O-N 3.33Å; L687-T691 VanDerWaalsContact O-CB 3.27Å; L687-T691 WeakPolarHBondContact O-CB 3.44Å; L687-T691 PolarHBondContact O-N 3.48Å; L687-T691 PolarHBondContact O-OG1 3.12Å; L687-L762 HydrophobicContact CD1-CD2 3.74Å; L687-L762 HydrophobicContact CG-CD2 4.49Å; L687-I765 HydrophobicContact CD1-CB 4.27Å; L687-I765 HydrophobicContact CD1-CG2 3.82Å; L687-L766 HydrophobicContact CD1-CD2 4.36Å; L687-L766 HydrophobicContact CD1-CG 4.24Å; L687-L766 HydrophobicContact CD2-CD2 3.91Å
688K93.3Very high93.4Very high129 Ų12982.5 Ų82.556%0.56139%0.392SS*.Hα-helixtrans-66.9-43.2176.8-72.5160.8-177.1151.20111.8S684 L685 K692S684-K688 VanDerWaalsContact O-CD 3.27Å; S684-K688 WeakPolarHBondContact O-CD 3.47Å; S684-K688 VanDerWaalsContact O-CG 3.24Å; S684-K688 WeakPolarHBondContact O-CG 3.44Å; S684-K688 PolarHBondContact O-N 2.62Å; S684-K688 PolarHBondContact OG-NZ 2.86Å; L685-K688 WeakPolarHBondContact O-CB 3.34Å; L685-K688 PolarHBondContact O-N 2.97Å; K688-K692 WeakPolarHBondContact O-CB 3.37Å; K688-K692 PolarHBondContact O-N 3.43Å
689E93.7Very high93.2Very high135 Ų13579.7 Ų79.763%0.63138%0.383SS*.Hα-helixtrans-66.1-46.5179.6-69.8-172.1151.700112L685 K686 K692 R693L685-E689 PolarHBondContact O-N 3.29Å; K686-E689 PolarHBondContact O-N 3.28Å; E689-K692 WeakPolarHBondContact O-CB 3.32Å; E689-K692 PolarHBondContact O-N 3.43Å; E689-R693 WeakPolarHBondContact O-CB 3.41Å; E689-R693 PolarHBondContact O-N 3.35Å
690E92.2Very high93.2Very high50 Ų5085 Ų8523%0.23440%0.401CS..Hα-helixtrans-70-35.9179-164.457.4-146.500111.7K686 K692 R693 I694 I765K686-E690 WeakPolarHBondContact O-CB 3.19Å; K686-E690 PolarHBondContact O-N 2.82Å; E690-K692 VanDerWaalsContact C-N 3.32Å; E690-K692 PolarHBondContact O-N 2.91Å; E690-R693 PolarHBondContact O-N 3.38Å; E690-R693 IonicContact OE1-CZ 3.5Å; E690-R693 IonicContact OE1-NH1 2.68Å; E690-R693 PolarHBondContact OE1-NH1 3.43Å; E690-R693 WeakPolarHBondContact OE2-CD 3.35Å; E690-R693 IonicContact OE2-NH1 2.81Å; E690-I694 HydrophobicContact CG-CD1 4.03Å; E690-I694 HydrophobicContact CG-CG1 4.39Å; E690-I694 WeakPolarHBondContact O-CB 3.4Å; E690-I694 VanDerWaalsContact O-CG1 3.28Å; E690-I694 WeakPolarHBondContact O-CG1 3.23Å; E690-I694 PolarHBondContact O-N 3.14Å; E690-I765 HydrophobicContact CB-CD1 4.17Å; E690-I765 HydrophobicContact CG-CD1 3.87Å
691T93.6Very high93.2Very high47 Ų4783 Ų8329%0.28839%0.392SS..Hα-helixtrans-57.9-45.5170.1-590000111.3L687 K695 L762L687-T691 VanDerWaalsContact O-CB 3.27Å; L687-T691 WeakPolarHBondContact O-CB 3.44Å; L687-T691 PolarHBondContact O-N 3.48Å; L687-T691 PolarHBondContact O-OG1 3.12Å; T691-K695 WeakPolarHBondContact O-CB 3.48Å; T691-K695 PolarHBondContact O-N 2.69Å; T691-L762 VanDerWaalsContact OG1-CD2 3.29Å; T691-L762 WeakPolarHBondContact OG1-CD2 3.29Å
692K94.8Very high93.1Very high156 Ų15682.9 Ų82.968%0.67838%0.383SS*.Hα-helixtrans-64.1-44.2177.5-177.6-177.1177.4-174.30111.2K688 E689 E690 K695 T696K688-K692 WeakPolarHBondContact O-CB 3.37Å; K688-K692 PolarHBondContact O-N 3.43Å; E689-K692 WeakPolarHBondContact O-CB 3.32Å; E689-K692 PolarHBondContact O-N 3.43Å; E690-K692 VanDerWaalsContact C-N 3.32Å; E690-K692 PolarHBondContact O-N 2.91Å; K692-K695 PolarHBondContact O-N 3.09Å; K692-T696 WeakPolarHBondContact O-CG2 3.36Å; K692-T696 PolarHBondContact O-N 2.92Å; K692-T696 PolarHBondContact O-OG1 2.85Å
693R94.8Very high93Very high165 Ų16584.8 Ų84.862%0.62339%0.392SS*.Hα-helixtrans-60-54177.9-177.9-179.4174.3-1142111.6E689 E690 K695 T696 E697E689-R693 WeakPolarHBondContact O-CB 3.41Å; E689-R693 PolarHBondContact O-N 3.35Å; E690-R693 PolarHBondContact O-N 3.38Å; E690-R693 IonicContact OE1-CZ 3.5Å; E690-R693 IonicContact OE1-NH1 2.68Å; E690-R693 PolarHBondContact OE1-NH1 3.43Å; E690-R693 WeakPolarHBondContact OE2-CD 3.35Å; E690-R693 IonicContact OE2-NH1 2.81Å; R693-K695 VanDerWaalsContact C-N 3.29Å; R693-K695 PolarHBondContact O-N 3.42Å; R693-T696 PolarHBondContact O-N 3.21Å; R693-T696 PolarHBondContact O-OG1 3.5Å; R693-E697 PolarHBondContact O-N 2.97Å; R693-E697 VanDerWaalsContact O-N 3.1Å
694I92.5Very high92.9Very high10 Ų1089 Ų895%0.05141%0.41CS..Hα-helixtrans-57.3-45.1178.1-65.2165.1000109.9E690 T696 E697 Q698 F757 L758 T761E690-I694 HydrophobicContact CG-CD1 4.03Å; E690-I694 HydrophobicContact CG-CG1 4.39Å; E690-I694 WeakPolarHBondContact O-CB 3.4Å; E690-I694 VanDerWaalsContact O-CG1 3.28Å; E690-I694 WeakPolarHBondContact O-CG1 3.23Å; E690-I694 PolarHBondContact O-N 3.14Å; I694-T696 PolarHBondContact O-N 3.15Å; I694-E697 PolarHBondContact O-N 2.65Å; I694-Q698 HydrophobicContact CG2-CG 4.18Å; I694-Q698 WeakPolarHBondContact O-CG 3.47Å; I694-Q698 PolarHBondContact O-N 3.48Å; I694-F757 HydrophobicContact CG1-CE1 4.46Å; I694-F757 HydrophobicContact CG2-CD1 4.12Å; I694-F757 HydrophobicContact CG2-CE1 4.07Å; I694-L758 HydrophobicContact CB-CD1 4Å; I694-L758 HydrophobicContact CD1-CD1 3.95Å; I694-L758 HydrophobicContact CG2-CB 4.3Å; I694-L758 HydrophobicContact CG2-CD1 3.71Å; I694-T761 HydrophobicContact CD1-CG2 3.67Å
695K92.6Very high92.9Very high126 Ų12687.5 Ų87.555%0.54840%0.397SS..Hα-helixtrans-61.1-44.3178-171172.3-179.11780112.7T691 K692 R693 E697 Q698 D699T691-K695 WeakPolarHBondContact O-CB 3.48Å; T691-K695 PolarHBondContact O-N 2.69Å; K692-K695 PolarHBondContact O-N 3.09Å; R693-K695 VanDerWaalsContact C-N 3.29Å; R693-K695 PolarHBondContact O-N 3.42Å; K695-E697 VanDerWaalsContact C-N 3.26Å; K695-E697 PolarHBondContact O-N 3.4Å; K695-Q698 WeakPolarHBondContact O-CB 3.41Å; K695-Q698 PolarHBondContact O-N 2.72Å; K695-D699 PolarHBondContact O-N 2.93Å
696T93.1Very high92.6Very high64 Ų6485 Ų8539%0.39338%0.384SS..Hα-helixtrans-64.8-27177.1530000113.9K692 R693 I694 R700K692-T696 WeakPolarHBondContact O-CG2 3.36Å; K692-T696 PolarHBondContact O-N 2.92Å; K692-T696 PolarHBondContact O-OG1 2.85Å; R693-T696 PolarHBondContact O-N 3.21Å; R693-T696 PolarHBondContact O-OG1 3.5Å; I694-T696 PolarHBondContact O-N 3.15Å; T696-R700 WeakPolarHBondContact O-CG 3.27Å; T696-R700 PolarHBondContact O-N 2.86Å
697E92.9Very high92.5Very high73 Ų7384.7 Ų84.734%0.34139%0.386SS..Hα-helixtrans-83.5-34.3173.2-157.460.3-137.200112.2R693 I694 K695 D699 R700 E701 K704R693-E697 PolarHBondContact O-N 2.97Å; R693-E697 VanDerWaalsContact O-N 3.1Å; I694-E697 PolarHBondContact O-N 2.65Å; K695-E697 VanDerWaalsContact C-N 3.26Å; K695-E697 PolarHBondContact O-N 3.4Å; E697-D699 VanDerWaalsContact C-N 3.3Å; E697-D699 PolarHBondContact O-N 2.69Å; E697-R700 WeakPolarHBondContact O-CB 3.46Å; E697-R700 PolarHBondContact O-N 2.99Å; E697-R700 WeakPolarHBondContact OE1-CD 3.4Å; E697-R700 VanDerWaalsContact OE2-CD 3.26Å; E697-R700 WeakPolarHBondContact OE2-CD 3.49Å; E697-R700 IonicContact OE2-CZ 2.69Å; E697-R700 IonicContact OE2-NE 2.65Å; E697-R700 IonicContact OE2-NH1 3.67Å; E697-R700 PolarHBondContact OE2-NH1 3.18Å; E697-E701 PolarHBondContact O-N 3.3Å; E697-K704 IonicContact OE1-NZ 2.69Å
698Q92.2Very high92.3Very high28 Ų2887.7 Ų87.713%0.13140%0.399CS..Hα-helixtrans-56.4-45.2169-76.3173.9-28.100111.2I694 K695 R700 E701 Y702 Q754I694-Q698 HydrophobicContact CG2-CG 4.18Å; I694-Q698 WeakPolarHBondContact O-CG 3.47Å; I694-Q698 PolarHBondContact O-N 3.48Å; K695-Q698 WeakPolarHBondContact O-CB 3.41Å; K695-Q698 PolarHBondContact O-N 2.72Å; Q698-R700 PolarHBondContact O-N 2.85Å; Q698-E701 PolarHBondContact O-N 3.21Å; Q698-Y702 VanDerWaalsContact O-CB 3.29Å; Q698-Y702 WeakPolarHBondContact O-CB 3.43Å; Q698-Y702 PolarHBondContact O-N 3.09Å; Q698-Q754 HydrophobicContact CG-CB 4.24Å; Q698-Q754 HydrophobicContact CG-CG 4.2Å; Q698-Q754 PolarHBondContact NE2-O 2.87Å; Q698-Q754 PolarHBondContact O-NE2 3.41Å
699D90.8Very high92Very high80 Ų8081.9 Ų81.943%0.42837%0.374SS..Hα-helixtrans-60.4-43.7175.7-71.5-36.4000111.4K695 E697 Y702 H703K695-D699 PolarHBondContact O-N 2.93Å; E697-D699 VanDerWaalsContact C-N 3.3Å; E697-D699 PolarHBondContact O-N 2.69Å; D699-Y702 PolarHBondContact O-N 2.84Å; D699-H703 PolarHBondContact O-N 3.05Å; D699-H703 VanDerWaalsContact O-N 3.11Å; D699-H703 PolarHBondContact O-ND1 2.95Å
700R93.7Very high91.7Very high144 Ų14481 Ų8154%0.54337%0.368SS..Hα-helixtrans-63.4-48.8176-76169.4177.5155.82.4112.5T696 E697 Q698 Y702 H703 K704T696-R700 WeakPolarHBondContact O-CG 3.27Å; T696-R700 PolarHBondContact O-N 2.86Å; E697-R700 WeakPolarHBondContact O-CB 3.46Å; E697-R700 PolarHBondContact O-N 2.99Å; E697-R700 WeakPolarHBondContact OE1-CD 3.4Å; E697-R700 VanDerWaalsContact OE2-CD 3.26Å; E697-R700 WeakPolarHBondContact OE2-CD 3.49Å; E697-R700 IonicContact OE2-CZ 2.69Å; E697-R700 IonicContact OE2-NE 2.65Å; E697-R700 IonicContact OE2-NH1 3.67Å; E697-R700 PolarHBondContact OE2-NH1 3.18Å; Q698-R700 PolarHBondContact O-N 2.85Å; R700-Y702 VanDerWaalsContact C-N 3.31Å; R700-Y702 PolarHBondContact O-N 2.86Å; R700-H703 PolarHBondContact O-N 2.81Å; R700-K704 WeakPolarHBondContact O-CG 3.1Å; R700-K704 PolarHBondContact O-N 3.43Å
701E92.7Very high91.4Very high72 Ų7282.4 Ų82.434%0.33638%0.375SS..Hα-helixtrans-64.7-36.2179.2-73.9-56.9138.200111.6E697 Q698 H703 K704 F705 F750E697-E701 PolarHBondContact O-N 3.3Å; Q698-E701 PolarHBondContact O-N 3.21Å; E701-H703 PolarHBondContact O-N 3.48Å; E701-K704 PolarHBondContact O-N 3.26Å; E701-K704 WeakPolarHBondContact OE1-CD 3.27Å; E701-K704 WeakPolarHBondContact OE1-CE 3.39Å; E701-K704 IonicContact OE1-NZ 3.3Å; E701-K704 PolarHBondContact OE1-NZ 3.02Å; E701-F705 VanDerWaalsContact O-CB 3.26Å; E701-F705 WeakPolarHBondContact O-CB 3.48Å; E701-F705 PolarHBondContact O-N 2.86Å; E701-F750 HydrophobicContact CB-CZ 4.03Å
702Y91.7Very high91.1Very high79 Ų7983.9 Ų83.931%0.3138%0.377SS..Hα-helixtrans-63.6-39.7173.7-176.9-106.2000112.2Q698 D699 R700 F705 M706 F750Q698-Y702 VanDerWaalsContact O-CB 3.29Å; Q698-Y702 WeakPolarHBondContact O-CB 3.43Å; Q698-Y702 PolarHBondContact O-N 3.09Å; D699-Y702 PolarHBondContact O-N 2.84Å; R700-Y702 VanDerWaalsContact C-N 3.31Å; R700-Y702 PolarHBondContact O-N 2.86Å; Y702-F705 PolarHBondContact O-N 3Å; Y702-M706 HydrophobicContact CD1-CG 4.33Å; Y702-M706 HydrophobicContact CD2-CG 4.43Å; Y702-M706 HydrophobicContact CE1-CG 3.97Å; Y702-M706 HydrophobicContact CE2-CG 4.06Å; Y702-M706 WeakPolarHBondContact O-CB 3.34Å; Y702-M706 VanDerWaalsContact O-CG 3.28Å; Y702-M706 WeakPolarHBondContact O-CG 3.35Å; Y702-M706 PolarHBondContact O-N 3.38Å; Y702-F750 HydrophobicContact CD2-CD1 4.12Å; Y702-F750 AromaticContact CD2-CE1 3.92Å; Y702-F750 HydrophobicContact CD2-CE1 3.92Å; Y702-F750 HydrophobicContact CG-CE1 4.49Å
703H91.6Very high90.7Very high127 Ų12781.5 Ų81.559%0.58837%0.367SS*.Hα-helixtrans-62.4-47.7172.4-77.379.7000111.8D699 R700 E701 F705 M706 D707D699-H703 PolarHBondContact O-N 3.05Å; D699-H703 VanDerWaalsContact O-N 3.11Å; D699-H703 PolarHBondContact O-ND1 2.95Å; R700-H703 PolarHBondContact O-N 2.81Å; E701-H703 PolarHBondContact O-N 3.48Å; H703-F705 PolarHBondContact O-N 3.27Å; H703-M706 PolarHBondContact O-N 3.17Å; H703-D707 PolarHBondContact O-N 2.79Å
704K91.9Very high90.2Very high99 Ų9979.9 Ų79.943%0.4336%0.364SS..Hα-helixtrans-57.5-46.8176-66170.6-164.31680111.4E697 R700 E701 D707 Q708E697-K704 IonicContact OE1-NZ 2.69Å; R700-K704 WeakPolarHBondContact O-CG 3.1Å; R700-K704 PolarHBondContact O-N 3.43Å; E701-K704 PolarHBondContact O-N 3.26Å; E701-K704 WeakPolarHBondContact OE1-CD 3.27Å; E701-K704 WeakPolarHBondContact OE1-CE 3.39Å; E701-K704 IonicContact OE1-NZ 3.3Å; E701-K704 PolarHBondContact OE1-NZ 3.02Å; K704-D707 PolarHBondContact O-N 3.02Å; K704-Q708 WeakPolarHBondContact O-CG 3.39Å; K704-Q708 PolarHBondContact O-N 3.36Å
705F92.8Very high89.8Confident18 Ų1884 Ų848%0.07938%0.383CS..Hα-helixtrans-61.4-43.6177.5173.6-104.4000112.3E701 Y702 H703 D707 Q708 L709 Q746 E747 F750E701-F705 VanDerWaalsContact O-CB 3.26Å; E701-F705 WeakPolarHBondContact O-CB 3.48Å; E701-F705 PolarHBondContact O-N 2.86Å; Y702-F705 PolarHBondContact O-N 3Å; H703-F705 PolarHBondContact O-N 3.27Å; F705-D707 VanDerWaalsContact C-N 3.35Å; F705-D707 PolarHBondContact O-N 3.23Å; F705-Q708 WeakPolarHBondContact O-CB 3.21Å; F705-Q708 PolarHBondContact O-N 2.84Å; F705-L709 HydrophobicContact CD1-CD1 3.94Å; F705-L709 HydrophobicContact CE1-CD1 3.37Å; F705-L709 HydrophobicContact CE1-CG 4.24Å; F705-L709 HydrophobicContact CE2-CD1 4.33Å; F705-L709 HydrophobicContact CE2-CG 4.41Å; F705-L709 HydrophobicContact CZ-CD1 3.59Å; F705-L709 HydrophobicContact CZ-CD2 4.46Å; F705-L709 HydrophobicContact CZ-CG 4.13Å; F705-L709 WeakPolarHBondContact O-CG 3.3Å; F705-L709 PolarHBondContact O-N 3.3Å; F705-Q746 HydrophobicContact CE2-CB 4.47Å; F705-Q746 HydrophobicContact CZ-CB 4.1Å; F705-E747 HydrophobicContact CE1-CB 4.12Å; F705-E747 HydrophobicContact CE1-CG 4.34Å; F705-E747 HydrophobicContact CZ-CB 4.43Å; F705-F750 HydrophobicContact CB-CD2 4.29Å; F705-F750 HydrophobicContact CB-CE1 4.12Å; F705-F750 HydrophobicContact CB-CE2 3.83Å; F705-F750 HydrophobicContact CB-CZ 3.73Å; F705-F750 HydrophobicContact CD1-CB 4.4Å; F705-F750 AromaticContact CD1-CD1 3.9Å; F705-F750 HydrophobicContact CD1-CD1 3.9Å; F705-F750 HydrophobicContact CD1-CD2 4.32Å; F705-F750 HydrophobicContact CD1-CE1 4.21Å; F705-F750 AromaticContact CD1-CG 3.95Å; F705-F750 HydrophobicContact CD1-CG 3.95Å; F705-F750 AromaticContact CD2-CD2 3.72Å; F705-F750 HydrophobicContact CD2-CD2 3.72Å; F705-F750 HydrophobicContact CD2-CE2 4.03Å; F705-F750 HydrophobicContact CD2-CG 4.09Å; F705-F750 HydrophobicContact CE1-CB 3.99Å; F705-F750 HydrophobicContact CE1-CD1 4.25Å; F705-F750 HydrophobicContact CE1-CG 4.05Å; F705-F750 HydrophobicContact CE2-CB 4.15Å; F705-F750 HydrophobicContact CE2-CD2 4.07Å; F705-F750 HydrophobicContact CE2-CG 4.19Å; F705-F750 HydrophobicContact CG-CD1 4.16Å; F705-F750 AromaticContact CG-CD2 3.85Å; F705-F750 HydrophobicContact CG-CD2 3.85Å; F705-F750 HydrophobicContact CG-CE1 4.22Å; F705-F750 AromaticContact CG-CE2 3.92Å; F705-F750 HydrophobicContact CG-CE2 3.92Å; F705-F750 AromaticContact CG-CG 3.97Å; F705-F750 HydrophobicContact CG-CG 3.97Å; F705-F750 HydrophobicContact CG-CZ 4.09Å; F705-F750 HydrophobicContact CZ-CB 3.85Å; F705-F750 HydrophobicContact CZ-CG 4.17Å
706M88.3Confident89.3Confident48 Ų4879.6 Ų79.624%0.23637%0.367CS..Hα-helixtrans-65.7-35176.9-76.7-68.3-95.100112.8Y702 H703 L709 K710Y702-M706 HydrophobicContact CD1-CG 4.33Å; Y702-M706 HydrophobicContact CD2-CG 4.43Å; Y702-M706 HydrophobicContact CE1-CG 3.97Å; Y702-M706 HydrophobicContact CE2-CG 4.06Å; Y702-M706 WeakPolarHBondContact O-CB 3.34Å; Y702-M706 VanDerWaalsContact O-CG 3.28Å; Y702-M706 WeakPolarHBondContact O-CG 3.35Å; Y702-M706 PolarHBondContact O-N 3.38Å; H703-M706 PolarHBondContact O-N 3.17Å; M706-L709 PolarHBondContact O-N 3.02Å; M706-L709 HydrophobicContact SD-CD1 4.04Å; M706-K710 VanDerWaalsContact O-CG 3.3Å; M706-K710 WeakPolarHBondContact O-CG 3.39Å; M706-K710 PolarHBondContact O-N 3.28Å
707D89.3Confident88.6Confident86 Ų8682.2 Ų82.246%0.4637%0.373SS..Hα-helixtrans-71.5-36.5172.6-77.1-28.6000112.8H703 K704 F705 L709 K710 Q711H703-D707 PolarHBondContact O-N 2.79Å; K704-D707 PolarHBondContact O-N 3.02Å; F705-D707 VanDerWaalsContact C-N 3.35Å; F705-D707 PolarHBondContact O-N 3.23Å; D707-L709 VanDerWaalsContact C-N 3.32Å; D707-L709 PolarHBondContact O-N 3.28Å; D707-K710 PolarHBondContact O-N 3.28Å; D707-K710 VanDerWaalsContact OD1-CD 3.31Å; D707-K710 WeakPolarHBondContact OD1-CD 3.5Å; D707-K710 VanDerWaalsContact OD1-CE 3.31Å; D707-K710 WeakPolarHBondContact OD1-CE 3.32Å; D707-K710 IonicContact OD1-NZ 2.64Å; D707-K710 PolarHBondContact OD1-NZ 3.49Å; D707-Q711 WeakPolarHBondContact O-CB 3.47Å; D707-Q711 PolarHBondContact O-N 2.89Å
708Q89Confident88Confident106 Ų10683.8 Ų83.850%0.49538%0.38SS..Hα-helixtrans-60.6-40.4169.1-69.4175.826.100111.9K704 F705 Q711 K712K704-Q708 WeakPolarHBondContact O-CG 3.39Å; K704-Q708 PolarHBondContact O-N 3.36Å; F705-Q708 WeakPolarHBondContact O-CB 3.21Å; F705-Q708 PolarHBondContact O-N 2.84Å; Q708-Q711 PolarHBondContact O-N 2.93Å; Q708-K712 WeakPolarHBondContact O-CB 3.44Å; Q708-K712 WeakPolarHBondContact O-CG 3.48Å; Q708-K712 PolarHBondContact O-N 3.18Å
709L88.1Confident87.2Confident6 Ų685.1 Ų85.13%0.03139%0.393CS..Hα-helixtrans-66.2-40.3174.7-73.8174.7000112.2F705 M706 D707 Q711 K713 K743F705-L709 HydrophobicContact CD1-CD1 3.94Å; F705-L709 HydrophobicContact CE1-CD1 3.37Å; F705-L709 HydrophobicContact CE1-CG 4.24Å; F705-L709 HydrophobicContact CE2-CD1 4.33Å; F705-L709 HydrophobicContact CE2-CG 4.41Å; F705-L709 HydrophobicContact CZ-CD1 3.59Å; F705-L709 HydrophobicContact CZ-CD2 4.46Å; F705-L709 HydrophobicContact CZ-CG 4.13Å; F705-L709 WeakPolarHBondContact O-CG 3.3Å; F705-L709 PolarHBondContact O-N 3.3Å; M706-L709 PolarHBondContact O-N 3.02Å; M706-L709 HydrophobicContact SD-CD1 4.04Å; D707-L709 VanDerWaalsContact C-N 3.32Å; D707-L709 PolarHBondContact O-N 3.28Å; L709-Q711 VanDerWaalsContact C-N 3.27Å; L709-Q711 PolarHBondContact O-N 3.15Å; L709-K713 WeakPolarHBondContact O-CB 3.43Å; L709-K713 PolarHBondContact O-N 3.27Å; L709-K743 HydrophobicContact CD1-CG 4.04Å; L709-K743 HydrophobicContact CD2-CG 4.32Å
710K87.5Confident86.4Confident117 Ų11781.4 Ų81.451%0.50937%0.373SS..Hα-helixtrans-60.1-39.1171.7-69.3168.5-148.9165.50111.2M706 D707 K713 K714M706-K710 VanDerWaalsContact O-CG 3.3Å; M706-K710 WeakPolarHBondContact O-CG 3.39Å; M706-K710 PolarHBondContact O-N 3.28Å; D707-K710 PolarHBondContact O-N 3.28Å; D707-K710 VanDerWaalsContact OD1-CD 3.31Å; D707-K710 WeakPolarHBondContact OD1-CD 3.5Å; D707-K710 VanDerWaalsContact OD1-CE 3.31Å; D707-K710 WeakPolarHBondContact OD1-CE 3.32Å; D707-K710 IonicContact OD1-NZ 2.64Å; D707-K710 PolarHBondContact OD1-NZ 3.49Å; K710-K713 WeakPolarHBondContact O-CB 3.47Å; K710-K713 PolarHBondContact O-N 2.92Å; K710-K714 WeakPolarHBondContact O-CG 3.21Å; K710-K714 PolarHBondContact O-N 2.83Å
711Q86.6Confident85.3Confident80 Ų8078.3 Ų78.337%0.37437%0.367SS..Hα-helixtrans-70.6-49.5179.6-177.955.327.200112.1D707 Q708 L709 K713 K714 E715D707-Q711 WeakPolarHBondContact O-CB 3.47Å; D707-Q711 PolarHBondContact O-N 2.89Å; Q708-Q711 PolarHBondContact O-N 2.93Å; L709-Q711 VanDerWaalsContact C-N 3.27Å; L709-Q711 PolarHBondContact O-N 3.15Å; Q711-K713 PolarHBondContact O-N 3.5Å; Q711-K714 WeakPolarHBondContact O-CA 3.06Å; Q711-K714 WeakPolarHBondContact O-CB 3.46Å; Q711-K714 PolarHBondContact O-N 3.43Å; Q711-E715 WeakPolarHBondContact CG-OE1 3.43Å; Q711-E715 PolarHBondContact NE2-OE1 3.45Å; Q711-E715 PolarHBondContact O-N 3.04Å
712K85.6Confident84.5Confident77 Ų7782.2 Ų82.234%0.33538%0.383SS..Hα-helixtrans-54.1-37.4171.5-71.9168.8175.8170.30112.2Q708 K714 E715 V716 F739Q708-K712 WeakPolarHBondContact O-CB 3.44Å; Q708-K712 WeakPolarHBondContact O-CG 3.48Å; Q708-K712 PolarHBondContact O-N 3.18Å; K712-K714 PolarHBondContact O-N 3.27Å; K712-E715 PolarHBondContact O-N 3.11Å; K712-V716 WeakPolarHBondContact O-CG2 3.4Å; K712-V716 PolarHBondContact O-N 2.68Å; K712-F739 HydrophobicContact CB-CE2 3.9Å; K712-F739 HydrophobicContact CB-CZ 4.49Å
713K86.3Confident83.3Confident107 Ų10780.8 Ų80.847%0.46538%0.38SS..Hα-helixtrans-63.1-38174.6-171.8174.5178173.50112.9L709 K710 Q711 K717 M736 F739L709-K713 WeakPolarHBondContact O-CB 3.43Å; L709-K713 PolarHBondContact O-N 3.27Å; K710-K713 WeakPolarHBondContact O-CB 3.47Å; K710-K713 PolarHBondContact O-N 2.92Å; Q711-K713 PolarHBondContact O-N 3.5Å; K713-K717 PolarHBondContact O-N 3.31Å; K713-M736 HydrophobicContact CG-CE 4.39Å; K713-F739 HydrophobicContact CB-CE1 3.7Å; K713-F739 HydrophobicContact CB-CE2 4.49Å; K713-F739 HydrophobicContact CB-CZ 3.64Å; K713-F739 HydrophobicContact CD-CE1 4.14Å; K713-F739 HydrophobicContact CG-CD1 4.44Å; K713-F739 HydrophobicContact CG-CE1 3.84Å; K713-F739 HydrophobicContact CG-CZ 4.31Å
714K84.8Confident81.9Confident130 Ų13077.5 Ų77.557%0.56537%0.371SS*.Hα-helixtrans-67.2-41173.1-62.4172.8-160.8161.50111.1K710 Q711 K712 K717 H718K710-K714 WeakPolarHBondContact O-CG 3.21Å; K710-K714 PolarHBondContact O-N 2.83Å; Q711-K714 WeakPolarHBondContact O-CA 3.06Å; Q711-K714 WeakPolarHBondContact O-CB 3.46Å; Q711-K714 PolarHBondContact O-N 3.43Å; K712-K714 PolarHBondContact O-N 3.27Å; K714-K717 PolarHBondContact O-N 2.92Å; K714-H718 WeakPolarHBondContact O-CB 3.47Å; K714-H718 PolarHBondContact O-N 3.12Å
715E83.5Confident80.3Confident96 Ų9684.1 Ų84.145%0.44939%0.393SS..Hα-helixtrans-65.5-43.3-179.9-72.3156.9-168.900112.3Q711 K712 K717 H718 S719Q711-E715 WeakPolarHBondContact CG-OE1 3.43Å; Q711-E715 PolarHBondContact NE2-OE1 3.45Å; Q711-E715 PolarHBondContact O-N 3.04Å; K712-E715 PolarHBondContact O-N 3.11Å; E715-K717 VanDerWaalsContact C-N 3.31Å; E715-K717 PolarHBondContact O-N 3.23Å; E715-H718 PolarHBondContact O-N 2.97Å; E715-S719 VanDerWaalsContact O-CB 3.26Å; E715-S719 WeakPolarHBondContact O-CB 3.46Å; E715-S719 PolarHBondContact O-N 3.13Å
716V82.4Confident79Confident35 Ų3588.3 Ų88.321%0.21243%0.425CS..Hα-helixtrans-59.1-41.8172.7170.20000111.3K712 V720 R735 M736 F739K712-V716 WeakPolarHBondContact O-CG2 3.4Å; K712-V716 PolarHBondContact O-N 2.68Å; V716-V720 PolarHBondContact O-N 2.68Å; V716-R735 HydrophobicContact CG1-CB 4.15Å; V716-M736 HydrophobicContact CG1-SD 4.28Å; V716-F739 HydrophobicContact CG2-CD2 3.91Å; V716-F739 HydrophobicContact CG2-CG 4.42Å
717K79.4Confident77.9Confident119 Ų11990.8 Ų90.852%0.51744%0.436SS..Hα-helixtrans-65.1-51.6175.7-170.5-176.3175.3-174.10111.6K713 K714 E715 S719 V720 D721K713-K717 PolarHBondContact O-N 3.31Å; K714-K717 PolarHBondContact O-N 2.92Å; E715-K717 VanDerWaalsContact C-N 3.31Å; E715-K717 PolarHBondContact O-N 3.23Å; K717-S719 PolarHBondContact O-N 2.96Å; K717-V720 PolarHBondContact O-N 2.84Å; K717-D721 PolarHBondContact O-N 2.8Å
718H79.4Confident76.9Confident105 Ų10590.7 Ų90.749%0.48643%0.429SS..Hα-helixtrans-61.4-30.3179.3-176.965.8000113K714 E715 K722K714-H718 WeakPolarHBondContact O-CB 3.47Å; K714-H718 PolarHBondContact O-N 3.12Å; E715-H718 PolarHBondContact O-N 2.97Å; H718-K722 WeakPolarHBondContact NE2-CE 3.29Å; H718-K722 PolarHBondContact NE2-NZ 3.18Å
719S76.6Confident76Confident57 Ų5793.7 Ų93.740%0.39944%0.441SS..Hα-helixtrans-64.6-38.41721800000112.4E715 K717 R735E715-S719 VanDerWaalsContact O-CB 3.26Å; E715-S719 WeakPolarHBondContact O-CB 3.46Å; E715-S719 PolarHBondContact O-N 3.13Å; K717-S719 PolarHBondContact O-N 2.96Å; S719-R735 PolarHBondContact OG-NH1 3.26Å
720V73.9Confident75.3Confident2 Ų298.5 Ų98.51%0.01247%0.467CS..Hα-helixtrans-78.8-33.3176.3-178.50000111.7V716 K717 K722 M723 R728 L732V716-V720 PolarHBondContact O-N 2.68Å; K717-V720 PolarHBondContact O-N 2.84Å; V720-K722 PolarHBondContact O-N 2.96Å; V720-M723 WeakPolarHBondContact O-CB 3.23Å; V720-M723 PolarHBondContact O-N 3.34Å; V720-R728 HydrophobicContact CG1-CB 4.31Å; V720-R728 HydrophobicContact CG1-CG 4.18Å; V720-L732 HydrophobicContact CB-CD1 4.22Å; V720-L732 HydrophobicContact CG1-CB 4Å; V720-L732 HydrophobicContact CG1-CD1 4.37Å; V720-L732 HydrophobicContact CG2-CD1 4.25Å
721D70.7Confident74.7Confident78 Ų7894.4 Ų94.442%0.41745%0.451SS..THydrogen-bonded Turntrans-62.3-13.7176.2-73.3-39.6000113.9K717 R728K717-D721 PolarHBondContact O-N 2.8Å; D721-R728 PolarHBondContact O-NH1 3.47Å; D721-R728 PolarHBondContact O-NH2 2.82Å
722K74.5Confident74.2Confident154 Ų15493.6 Ų93.667%0.6745%0.449SS*.THydrogen-bonded Turntrans-89.4-6.5173.3-70177.8-176.5173.80114.9H718 V720H718-K722 WeakPolarHBondContact NE2-CE 3.29Å; H718-K722 PolarHBondContact NE2-NZ 3.18Å; V720-K722 PolarHBondContact O-N 2.96Å
723M67.8Low73.9Confident49 Ų4997.4 Ų97.424%0.24147%0.466CS..SBendtrans-85.6173.3-176.7-60.8-176.363.800113V720 R728 T731V720-M723 WeakPolarHBondContact O-CB 3.23Å; V720-M723 PolarHBondContact O-N 3.34Å; M723-R728 HydrophobicContact CB-CG 4.44Å; M723-R728 PolarHBondContact O-NE 2.95Å; M723-R728 PolarHBondContact O-NH2 3.43Å; M723-T731 HydrophobicContact CE-CG2 4.06Å; M723-T731 HydrophobicContact SD-CG2 3.89Å
724S61Low73.7Confident59 Ų5999.2 Ų99.241%0.41348%0.476SS..  trans-63.3158178.391.80000111.9S726 E727 R728S724-S726 PolarHBondContact O-N 3.3Å; S724-S726 PolarHBondContact OG-N 3.46Å; S724-E727 WeakPolarHBondContact CB-OE2 3.43Å; S724-E727 PolarHBondContact OG-OE2 2.93Å; S724-R728 VanDerWaalsContact O-CG 3.29Å; S724-R728 WeakPolarHBondContact O-CG 3.49Å; S724-R728 PolarHBondContact O-NE 3.43Å
725R59.1Low73.6Confident237 Ų23797.6 Ų97.689%0.89447%0.466SS*.THydrogen-bonded Turntrans-65.4-20.8-179.4-106.2-178.7177.4162.2-0.9113.9
726S65.9Low73.5Confident107 Ų10795.2 Ų95.275%0.74846%0.455SS*.THydrogen-bonded Turntrans-75.4-45-178.1-162.50000112.1S724S724-S726 PolarHBondContact O-N 3.3Å; S724-S726 PolarHBondContact OG-N 3.46Å
727E64.5Low73.5Confident100 Ų10097.3 Ų97.347%0.46747%0.472SS..THydrogen-bonded Turntrans-86.5-22.7-166.6-60.2151.2119.900113.5S724 K729 D730 T731S724-E727 WeakPolarHBondContact CB-OE2 3.43Å; S724-E727 PolarHBondContact OG-OE2 2.93Å; E727-K729 VanDerWaalsContact C-N 3.28Å; E727-K729 PolarHBondContact O-N 3.28Å; E727-K729 VanDerWaalsContact O-N 3.07Å; E727-D730 PolarHBondContact O-N 3.24Å; E727-T731 PolarHBondContact O-N 2.93Å; E727-T731 PolarHBondContact O-OG1 3.48Å; E727-T731 VanDerWaalsContact O-OG1 3.13Å
728R68.1Low73.8Confident84 Ų8498.7 Ų98.732%0.31748%0.478SS..Hα-helixtrans-49.6-40.8-170.1-80.9165.6-165.7-129.2-0.5114.6V720 D721 M723 S724 L732V720-R728 HydrophobicContact CG1-CB 4.31Å; V720-R728 HydrophobicContact CG1-CG 4.18Å; D721-R728 PolarHBondContact O-NH1 3.47Å; D721-R728 PolarHBondContact O-NH2 2.82Å; M723-R728 HydrophobicContact CB-CG 4.44Å; M723-R728 PolarHBondContact O-NE 2.95Å; M723-R728 PolarHBondContact O-NH2 3.43Å; S724-R728 VanDerWaalsContact O-CG 3.29Å; S724-R728 WeakPolarHBondContact O-CG 3.49Å; S724-R728 PolarHBondContact O-NE 3.43Å; R728-L732 WeakPolarHBondContact O-CB 3.16Å; R728-L732 PolarHBondContact O-N 3.47Å
729K70.7Confident74.2Confident168 Ų16894.7 Ų94.773%0.7346%0.459SS*.Hα-helixtrans-64.6-53-169.7-172.4-177.2178.5-172.90111.8E727 K733E727-K729 VanDerWaalsContact C-N 3.28Å; E727-K729 PolarHBondContact O-N 3.28Å; E727-K729 VanDerWaalsContact O-N 3.07Å; K729-K733 PolarHBondContact O-N 3.33Å
730D72.4Confident74.6Confident108 Ų10896.2 Ų96.258%0.57846%0.46SS*.Hα-helixtrans-83.7-33.9-174.3-60.1-50.5000111.5E727 L732 K733 Q734E727-D730 PolarHBondContact O-N 3.24Å; D730-L732 VanDerWaalsContact C-N 3.33Å; D730-L732 PolarHBondContact O-N 2.85Å; D730-K733 PolarHBondContact O-N 2.58Å; D730-Q734 WeakPolarHBondContact O-CB 3.27Å; D730-Q734 PolarHBondContact O-N 2.94Å
731T74.9Confident75.2Confident30 Ų30100.9 Ų100.918%0.18448%0.482CS..Hα-helixtrans-63.5-36.9169.7-51.40000112.1M723 E727 R735M723-T731 HydrophobicContact CE-CG2 4.06Å; M723-T731 HydrophobicContact SD-CG2 3.89Å; E727-T731 PolarHBondContact O-N 2.93Å; E727-T731 PolarHBondContact O-OG1 3.48Å; E727-T731 VanDerWaalsContact O-OG1 3.13Å; T731-R735 HydrophobicContact CG2-CG 4.23Å; T731-R735 VanDerWaalsContact O-CB 3.32Å; T731-R735 WeakPolarHBondContact O-CB 3.18Å; T731-R735 WeakPolarHBondContact O-CG 3.42Å; T731-R735 PolarHBondContact O-N 3.44Å
732L77.8Confident76Confident63 Ų6399 Ų9933%0.3348%0.475SS..Hα-helixtrans-63.6-46.6172.7-175.664.4000110.7V720 R728 D730 Q734 M736V720-L732 HydrophobicContact CB-CD1 4.22Å; V720-L732 HydrophobicContact CG1-CB 4Å; V720-L732 HydrophobicContact CG1-CD1 4.37Å; V720-L732 HydrophobicContact CG2-CD1 4.25Å; R728-L732 WeakPolarHBondContact O-CB 3.16Å; R728-L732 PolarHBondContact O-N 3.47Å; D730-L732 VanDerWaalsContact C-N 3.33Å; D730-L732 PolarHBondContact O-N 2.85Å; L732-Q734 PolarHBondContact O-N 2.92Å; L732-M736 HydrophobicContact CD1-CG 3.85Å; L732-M736 HydrophobicContact CG-CG 4.15Å; L732-M736 WeakPolarHBondContact O-CB 3.44Å; L732-M736 VanDerWaalsContact O-CG 3.23Å; L732-M736 WeakPolarHBondContact O-CG 3.4Å; L732-M736 PolarHBondContact O-N 2.92Å
733K79.3Confident76.7Confident158 Ų15893.6 Ų93.669%0.68745%0.451SS*.Hα-helixtrans-59.2-46.6178.5-170.6-178.6178.5-173.10111.4K729 D730 S737K729-K733 PolarHBondContact O-N 3.33Å; D730-K733 PolarHBondContact O-N 2.58Å; K733-S737 WeakPolarHBondContact O-CB 3.41Å; K733-S737 PolarHBondContact O-N 3.26Å
734Q81.8Confident77.7Confident145 Ų14596.3 Ų96.368%0.67847%0.465SS*.Hα-helixtrans-67-48.7-179.9-165.7-179.922.500112.2D730 L732 M736 S737 F738D730-Q734 WeakPolarHBondContact O-CB 3.27Å; D730-Q734 PolarHBondContact O-N 2.94Å; L732-Q734 PolarHBondContact O-N 2.92Å; Q734-M736 PolarHBondContact O-N 3.07Å; Q734-S737 PolarHBondContact O-N 3.27Å; Q734-F738 PolarHBondContact O-N 3.31Å
735R81.3Confident79Confident95 Ų9599.4 Ų99.436%0.35847%0.471SS..Hα-helixtrans-65.8-35.4177.5-73.2-174.7-179174.61.6112.7V716 S719 T731 F739V716-R735 HydrophobicContact CG1-CB 4.15Å; S719-R735 PolarHBondContact OG-NH1 3.26Å; T731-R735 HydrophobicContact CG2-CG 4.23Å; T731-R735 VanDerWaalsContact O-CB 3.32Å; T731-R735 WeakPolarHBondContact O-CB 3.18Å; T731-R735 WeakPolarHBondContact O-CG 3.42Å; T731-R735 PolarHBondContact O-N 3.44Å; R735-F739 WeakPolarHBondContact O-CB 3.4Å; R735-F739 PolarHBondContact O-N 3.38Å
736M82.8Confident80.4Confident46 Ų4691.5 Ų91.523%0.22744%0.444CS..Hα-helixtrans-68.8-37.2173.9-76.5-57.4-44.700112.3K713 V716 L732 Q734 F739 Q740K713-M736 HydrophobicContact CG-CE 4.39Å; V716-M736 HydrophobicContact CG1-SD 4.28Å; L732-M736 HydrophobicContact CD1-CG 3.85Å; L732-M736 HydrophobicContact CG-CG 4.15Å; L732-M736 WeakPolarHBondContact O-CB 3.44Å; L732-M736 VanDerWaalsContact O-CG 3.23Å; L732-M736 WeakPolarHBondContact O-CG 3.4Å; L732-M736 PolarHBondContact O-N 2.92Å; Q734-M736 PolarHBondContact O-N 3.07Å; M736-F739 HydrophobicContact CE-CD1 4.09Å; M736-F739 PolarHBondContact O-N 3.45Å; M736-Q740 WeakPolarHBondContact O-CB 3.43Å; M736-Q740 PolarHBondContact O-N 2.99Å
737S82.4Confident81.5Confident80 Ų8087.7 Ų87.756%0.55941%0.414SS*.Hα-helixtrans-64.4-47.7174.3-163.20000111.3K733 Q734 F739 Q740 E741K733-S737 WeakPolarHBondContact O-CB 3.41Å; K733-S737 PolarHBondContact O-N 3.26Å; Q734-S737 PolarHBondContact O-N 3.27Å; S737-F739 PolarHBondContact O-N 3.06Å; S737-Q740 PolarHBondContact O-N 3.4Å; S737-E741 PolarHBondContact O-N 2.95Å
738F85.9Confident82.8Confident147 Ų14789.8 Ų89.865%0.64542%0.424SS*.Hα-helixtrans-63.2-40.4176-176.7-98.3000112.2Q734 Q740 E741 S742Q734-F738 PolarHBondContact O-N 3.31Å; F738-Q740 VanDerWaalsContact C-N 3.34Å; F738-Q740 PolarHBondContact O-N 3.27Å; F738-E741 PolarHBondContact O-N 2.76Å; F738-S742 VanDerWaalsContact O-CB 3.22Å; F738-S742 WeakPolarHBondContact O-CB 3.46Å; F738-S742 PolarHBondContact O-N 3.34Å
739F87.7Confident83.9Confident21 Ų2192 Ų929%0.09244%0.436CS..Hα-helixtrans-62.9-39172.8176-94.5000112.1K712 K713 V716 R735 M736 S737 S742 K743K712-F739 HydrophobicContact CB-CE2 3.9Å; K712-F739 HydrophobicContact CB-CZ 4.49Å; K713-F739 HydrophobicContact CB-CE1 3.7Å; K713-F739 HydrophobicContact CB-CE2 4.49Å; K713-F739 HydrophobicContact CB-CZ 3.64Å; K713-F739 HydrophobicContact CD-CE1 4.14Å; K713-F739 HydrophobicContact CG-CD1 4.44Å; K713-F739 HydrophobicContact CG-CE1 3.84Å; K713-F739 HydrophobicContact CG-CZ 4.31Å; V716-F739 HydrophobicContact CG2-CD2 3.91Å; V716-F739 HydrophobicContact CG2-CG 4.42Å; R735-F739 WeakPolarHBondContact O-CB 3.4Å; R735-F739 PolarHBondContact O-N 3.38Å; M736-F739 HydrophobicContact CE-CD1 4.09Å; M736-F739 PolarHBondContact O-N 3.45Å; S737-F739 PolarHBondContact O-N 3.06Å; F739-S742 PolarHBondContact O-N 2.93Å; F739-K743 VanDerWaalsContact O-CB 3.28Å; F739-K743 WeakPolarHBondContact O-CB 3.48Å; F739-K743 PolarHBondContact O-N 2.99Å
740Q85.1Confident85Confident90 Ų9085.9 Ų85.942%0.42141%0.41SS..Hα-helixtrans-66.7-43178.3-169.570.31900111.3M736 S737 F738 K743 M744M736-Q740 WeakPolarHBondContact O-CB 3.43Å; M736-Q740 PolarHBondContact O-N 2.99Å; S737-Q740 PolarHBondContact O-N 3.4Å; F738-Q740 VanDerWaalsContact C-N 3.34Å; F738-Q740 PolarHBondContact O-N 3.27Å; Q740-K743 WeakPolarHBondContact O-CB 3.33Å; Q740-K743 PolarHBondContact O-N 3.35Å; Q740-M744 WeakPolarHBondContact O-CG 3.38Å; Q740-M744 PolarHBondContact O-N 2.85Å
741E86.5Confident85.9Confident100 Ų10084.4 Ų84.447%0.46740%0.404SS..Hα-helixtrans-65.9-43174.9-164.8-16414400111.8S737 F738 K743 M744 K745S737-E741 PolarHBondContact O-N 2.95Å; F738-E741 PolarHBondContact O-N 2.76Å; E741-K743 VanDerWaalsContact C-N 3.33Å; E741-K743 PolarHBondContact O-N 2.73Å; E741-M744 PolarHBondContact O-N 2.93Å; E741-K745 HydrophobicContact CG-CD 4.49Å; E741-K745 PolarHBondContact O-N 3.36Å; E741-K745 WeakPolarHBondContact OE1-CE 3.48Å; E741-K745 IonicContact OE1-NZ 3.61Å; E741-K745 PolarHBondContact OE1-NZ 3.49Å
742S87.5Confident86.7Confident38 Ų3885 Ų8527%0.26641%0.412SS..Hα-helixtrans-65.3-34.9175.9-165.80000112.3F738 F739 Q746F738-S742 VanDerWaalsContact O-CB 3.22Å; F738-S742 WeakPolarHBondContact O-CB 3.46Å; F738-S742 PolarHBondContact O-N 3.34Å; F739-S742 PolarHBondContact O-N 2.93Å; S742-Q746 WeakPolarHBondContact O-CB 3.49Å; S742-Q746 VanDerWaalsContact O-CG 3.3Å; S742-Q746 WeakPolarHBondContact O-CG 3.42Å; S742-Q746 PolarHBondContact O-N 3.49Å; S742-Q746 PolarHBondContact OG-NE2 3.21Å
743K88.3Confident87.4Confident41 Ų4185.9 Ų85.918%0.17842%0.417CS..Hα-helixtrans-59.8-54.9170.6178.7-173.5-177.8-72.50110.1L709 F739 Q740 E741 K745 Q746 E747L709-K743 HydrophobicContact CD1-CG 4.04Å; L709-K743 HydrophobicContact CD2-CG 4.32Å; F739-K743 VanDerWaalsContact O-CB 3.28Å; F739-K743 WeakPolarHBondContact O-CB 3.48Å; F739-K743 PolarHBondContact O-N 2.99Å; Q740-K743 WeakPolarHBondContact O-CB 3.33Å; Q740-K743 PolarHBondContact O-N 3.35Å; E741-K743 VanDerWaalsContact C-N 3.33Å; E741-K743 PolarHBondContact O-N 2.73Å; K743-K745 VanDerWaalsContact C-N 3.32Å; K743-K745 PolarHBondContact O-N 2.68Å; K743-Q746 PolarHBondContact O-N 2.86Å; K743-Q746 VanDerWaalsContact O-N 3.16Å; K743-E747 IonicContact NZ-OE1 3.51Å; K743-E747 PolarHBondContact NZ-OE1 2.91Å; K743-E747 IonicContact NZ-OE2 3.54Å; K743-E747 PolarHBondContact NZ-OE2 2.95Å; K743-E747 WeakPolarHBondContact O-CB 3.46Å; K743-E747 PolarHBondContact O-N 3.47Å
744M87.9Confident88Confident105 Ų10580 Ų8052%0.51739%0.392SS..Hα-helixtrans-54.8-48.3-179.3-68.4-62.2-6100111Q740 E741 Q746 E747 E748Q740-M744 WeakPolarHBondContact O-CG 3.38Å; Q740-M744 PolarHBondContact O-N 2.85Å; E741-M744 PolarHBondContact O-N 2.93Å; M744-Q746 PolarHBondContact O-N 3.38Å; M744-E747 PolarHBondContact O-N 3.24Å; M744-E748 VanDerWaalsContact O-CB 3.25Å; M744-E748 WeakPolarHBondContact O-CB 2.97Å; M744-E748 PolarHBondContact O-N 3.19Å
745K89.1Confident88.5Confident124 Ų12479.3 Ų79.354%0.53939%0.387SS..Hα-helixtrans-65.6-35.9178.8-73.2173.3172.3172.10113.6E741 K743 K749E741-K745 HydrophobicContact CG-CD 4.49Å; E741-K745 PolarHBondContact O-N 3.36Å; E741-K745 WeakPolarHBondContact OE1-CE 3.48Å; E741-K745 IonicContact OE1-NZ 3.61Å; E741-K745 PolarHBondContact OE1-NZ 3.49Å; K743-K745 VanDerWaalsContact C-N 3.32Å; K743-K745 PolarHBondContact O-N 2.68Å; K745-K749 VanDerWaalsContact O-CB 3.26Å; K745-K749 WeakPolarHBondContact O-CB 3.29Å; K745-K749 PolarHBondContact O-N 3.37Å; K745-K749 VanDerWaalsContact O-N 3.16Å
746Q89.5Confident89.1Confident71 Ų7179.1 Ų79.133%0.33239%0.393SS..Hα-helixtrans-71.6-37.1174.9-76.7174.750.400112F705 S742 K743 M744 F750F705-Q746 HydrophobicContact CE2-CB 4.47Å; F705-Q746 HydrophobicContact CZ-CB 4.1Å; S742-Q746 WeakPolarHBondContact O-CB 3.49Å; S742-Q746 VanDerWaalsContact O-CG 3.3Å; S742-Q746 WeakPolarHBondContact O-CG 3.42Å; S742-Q746 PolarHBondContact O-N 3.49Å; S742-Q746 PolarHBondContact OG-NE2 3.21Å; K743-Q746 PolarHBondContact O-N 2.86Å; K743-Q746 VanDerWaalsContact O-N 3.16Å; M744-Q746 PolarHBondContact O-N 3.38Å; Q746-F750 WeakPolarHBondContact O-CB 3.34Å; Q746-F750 PolarHBondContact O-N 3.01Å
747E89.3Confident89.6Confident28 Ų2882.9 Ų82.913%0.13141%0.408CS..Hα-helixtrans-74.5-44.3-178.4-173.4171.9-135.500111.8F705 K743 M744 F750 V751F705-E747 HydrophobicContact CE1-CB 4.12Å; F705-E747 HydrophobicContact CE1-CG 4.34Å; F705-E747 HydrophobicContact CZ-CB 4.43Å; K743-E747 IonicContact NZ-OE1 3.51Å; K743-E747 PolarHBondContact NZ-OE1 2.91Å; K743-E747 IonicContact NZ-OE2 3.54Å; K743-E747 PolarHBondContact NZ-OE2 2.95Å; K743-E747 WeakPolarHBondContact O-CB 3.46Å; K743-E747 PolarHBondContact O-N 3.47Å; M744-E747 PolarHBondContact O-N 3.24Å; E747-F750 PolarHBondContact O-N 2.92Å; E747-V751 WeakPolarHBondContact O-CG2 3.49Å; E747-V751 PolarHBondContact O-N 2.99Å
748E90.4Very high90.1Very high143 Ų14380.6 Ų80.667%0.66839%0.39SS*.Hα-helixtrans-58-48.7170.3-179.7176.9-153.300111.2M744 F750 V751 A752M744-E748 VanDerWaalsContact O-CB 3.25Å; M744-E748 WeakPolarHBondContact O-CB 2.97Å; M744-E748 PolarHBondContact O-N 3.19Å; E748-F750 PolarHBondContact O-N 2.91Å; E748-V751 PolarHBondContact O-N 2.89Å; E748-A752 WeakPolarHBondContact O-CB 3.39Å; E748-A752 PolarHBondContact O-N 3.12Å
749K92.4Very high90.4Very high130 Ų13076.6 Ų76.657%0.56538%0.375SS*.Hα-helixtrans-60.8-45.7175.3177.3169.5176.3174.80111.9K745 V751 A752 D753K745-K749 VanDerWaalsContact O-CB 3.26Å; K745-K749 WeakPolarHBondContact O-CB 3.29Å; K745-K749 PolarHBondContact O-N 3.37Å; K745-K749 VanDerWaalsContact O-N 3.16Å; K749-V751 VanDerWaalsContact C-N 3.35Å; K749-V751 PolarHBondContact O-N 3.26Å; K749-A752 PolarHBondContact O-N 2.7Å; K749-D753 WeakPolarHBondContact CE-OD2 3.34Å; K749-D753 WeakPolarHBondContact CG-OD2 3.42Å; K749-D753 WeakPolarHBondContact O-CB 3.32Å; K749-D753 VanDerWaalsContact O-CG 3.31Å; K749-D753 PolarHBondContact O-N 3.12Å
750F93.6Very high90.7Very high41 Ų4180 Ų8018%0.1840%0.397CS..Hα-helixtrans-61-42.9-178.8-178.5-90.6000112.1E701 Y702 F705 Q746 E747 E748 D753 Q754E701-F750 HydrophobicContact CB-CZ 4.03Å; Y702-F750 HydrophobicContact CD2-CD1 4.12Å; Y702-F750 AromaticContact CD2-CE1 3.92Å; Y702-F750 HydrophobicContact CD2-CE1 3.92Å; Y702-F750 HydrophobicContact CG-CE1 4.49Å; F705-F750 HydrophobicContact CB-CD2 4.29Å; F705-F750 HydrophobicContact CB-CE1 4.12Å; F705-F750 HydrophobicContact CB-CE2 3.83Å; F705-F750 HydrophobicContact CB-CZ 3.73Å; F705-F750 HydrophobicContact CD1-CB 4.4Å; F705-F750 AromaticContact CD1-CD1 3.9Å; F705-F750 HydrophobicContact CD1-CD1 3.9Å; F705-F750 HydrophobicContact CD1-CD2 4.32Å; F705-F750 HydrophobicContact CD1-CE1 4.21Å; F705-F750 AromaticContact CD1-CG 3.95Å; F705-F750 HydrophobicContact CD1-CG 3.95Å; F705-F750 AromaticContact CD2-CD2 3.72Å; F705-F750 HydrophobicContact CD2-CD2 3.72Å; F705-F750 HydrophobicContact CD2-CE2 4.03Å; F705-F750 HydrophobicContact CD2-CG 4.09Å; F705-F750 HydrophobicContact CE1-CB 3.99Å; F705-F750 HydrophobicContact CE1-CD1 4.25Å; F705-F750 HydrophobicContact CE1-CG 4.05Å; F705-F750 HydrophobicContact CE2-CB 4.15Å; F705-F750 HydrophobicContact CE2-CD2 4.07Å; F705-F750 HydrophobicContact CE2-CG 4.19Å; F705-F750 HydrophobicContact CG-CD1 4.16Å; F705-F750 AromaticContact CG-CD2 3.85Å; F705-F750 HydrophobicContact CG-CD2 3.85Å; F705-F750 HydrophobicContact CG-CE1 4.22Å; F705-F750 AromaticContact CG-CE2 3.92Å; F705-F750 HydrophobicContact CG-CE2 3.92Å; F705-F750 AromaticContact CG-CG 3.97Å; F705-F750 HydrophobicContact CG-CG 3.97Å; F705-F750 HydrophobicContact CG-CZ 4.09Å; F705-F750 HydrophobicContact CZ-CB 3.85Å; F705-F750 HydrophobicContact CZ-CG 4.17Å; Q746-F750 WeakPolarHBondContact O-CB 3.34Å; Q746-F750 PolarHBondContact O-N 3.01Å; E747-F750 PolarHBondContact O-N 2.92Å; E748-F750 PolarHBondContact O-N 2.91Å; F750-D753 PolarHBondContact O-N 3.03Å; F750-Q754 HydrophobicContact CD1-CG 4.39Å; F750-Q754 VanDerWaalsContact CE1-CD 3.49Å; F750-Q754 HydrophobicContact CE1-CG 4.06Å; F750-Q754 HydrophobicContact CZ-CG 4.35Å; F750-Q754 VanDerWaalsContact CZ-NE2 3.35Å; F750-Q754 WeakPolarHBondContact O-CB 3.38Å; F750-Q754 WeakPolarHBondContact O-CG 3.47Å; F750-Q754 PolarHBondContact O-N 3.48Å
751V90.8Very high91.1Very high76 Ų7676.9 Ų76.946%0.46139%0.385SS..Hα-helixtrans-67.5-38.4175.5173.10000111.5E747 E748 K749 K755E747-V751 WeakPolarHBondContact O-CG2 3.49Å; E747-V751 PolarHBondContact O-N 2.99Å; E748-V751 PolarHBondContact O-N 2.89Å; K749-V751 VanDerWaalsContact C-N 3.35Å; K749-V751 PolarHBondContact O-N 3.26Å; V751-K755 WeakPolarHBondContact O-CB 3.5Å; V751-K755 PolarHBondContact O-N 3.04Å
752A92.1Very high91.4Very high43 Ų4373.7 Ų73.736%0.35537%0.371SS..Hα-helixtrans-65.1-45.2174.700000112.3E748 K749 K755 N756E748-A752 WeakPolarHBondContact O-CB 3.39Å; E748-A752 PolarHBondContact O-N 3.12Å; K749-A752 PolarHBondContact O-N 2.7Å; A752-K755 PolarHBondContact O-N 3.19Å; A752-N756 WeakPolarHBondContact O-CB 3.21Å; A752-N756 PolarHBondContact O-N 3.5Å; A752-N756 PolarHBondContact O-ND2 2.82Å
753D92.3Very high91.7Very high81 Ų8178 Ų7843%0.43339%0.385SS..Hα-helixtrans-63.5-43.2177.3-71.6-17.8000110.9K749 F750 N756 F757K749-D753 WeakPolarHBondContact CE-OD2 3.34Å; K749-D753 WeakPolarHBondContact CG-OD2 3.42Å; K749-D753 WeakPolarHBondContact O-CB 3.32Å; K749-D753 VanDerWaalsContact O-CG 3.31Å; K749-D753 PolarHBondContact O-N 3.12Å; F750-D753 PolarHBondContact O-N 3.03Å; D753-N756 PolarHBondContact O-N 2.98Å; D753-F757 WeakPolarHBondContact O-CB 3.21Å; D753-F757 PolarHBondContact O-N 3.23Å
754Q92Very high92Very high35 Ų3581.8 Ų81.816%0.16440%0.404CS..Hα-helixtrans-60.1-45.1172.5-80.3-164.3-15.100112.4Q698 F750 F757 L758Q698-Q754 HydrophobicContact CG-CB 4.24Å; Q698-Q754 HydrophobicContact CG-CG 4.2Å; Q698-Q754 PolarHBondContact NE2-O 2.87Å; Q698-Q754 PolarHBondContact O-NE2 3.41Å; F750-Q754 HydrophobicContact CD1-CG 4.39Å; F750-Q754 VanDerWaalsContact CE1-CD 3.49Å; F750-Q754 HydrophobicContact CE1-CG 4.06Å; F750-Q754 HydrophobicContact CZ-CG 4.35Å; F750-Q754 VanDerWaalsContact CZ-NE2 3.35Å; F750-Q754 WeakPolarHBondContact O-CB 3.38Å; F750-Q754 WeakPolarHBondContact O-CG 3.47Å; F750-Q754 PolarHBondContact O-N 3.48Å; Q754-F757 PolarHBondContact O-N 3.12Å; Q754-L758 PolarHBondContact O-N 3.05Å; Q754-L758 VanDerWaalsContact O-N 3.14Å
755K92.1Very high92.3Very high131 Ų13178.3 Ų78.357%0.5739%0.388SS*.Hα-helixtrans-62.5-46.7177.6-176.8-175.8175.3-1740111.3V751 A752 F757 L758 D759V751-K755 WeakPolarHBondContact O-CB 3.5Å; V751-K755 PolarHBondContact O-N 3.04Å; A752-K755 PolarHBondContact O-N 3.19Å; K755-F757 VanDerWaalsContact C-N 3.29Å; K755-F757 PolarHBondContact O-N 2.79Å; K755-L758 PolarHBondContact O-N 3.43Å; K755-D759 WeakPolarHBondContact O-CB 3.34Å; K755-D759 PolarHBondContact O-N 2.62Å
756N93.9Very high92.5Very high91 Ų9176.2 Ų76.249%0.48738%0.382SS..Hα-helixtrans-60.3-38.6178.4-72-26.3000111.8A752 D753 T760A752-N756 WeakPolarHBondContact O-CB 3.21Å; A752-N756 PolarHBondContact O-N 3.5Å; A752-N756 PolarHBondContact O-ND2 2.82Å; D753-N756 PolarHBondContact O-N 2.98Å; N756-T760 VanDerWaalsContact O-CB 3.26Å; N756-T760 WeakPolarHBondContact O-CB 3.44Å; N756-T760 PolarHBondContact O-N 3.05Å; N756-T760 PolarHBondContact O-OG1 2.8Å
757F93.4Very high92.7Very high124 Ų12476 Ų7654%0.54439%0.388SS..Hα-helixtrans-63.5-44.2174.9177.9-98.8000112.7I694 D753 Q754 K755 T761I694-F757 HydrophobicContact CG1-CE1 4.46Å; I694-F757 HydrophobicContact CG2-CD1 4.12Å; I694-F757 HydrophobicContact CG2-CE1 4.07Å; D753-F757 WeakPolarHBondContact O-CB 3.21Å; D753-F757 PolarHBondContact O-N 3.23Å; Q754-F757 PolarHBondContact O-N 3.12Å; K755-F757 VanDerWaalsContact C-N 3.29Å; K755-F757 PolarHBondContact O-N 2.79Å; F757-T761 WeakPolarHBondContact O-CB 3.32Å; F757-T761 PolarHBondContact O-N 2.89Å; F757-T761 PolarHBondContact O-OG1 3.17Å
758L92.2Very high93Very high33 Ų3377.8 Ų77.817%0.17340%0.399CS..Hα-helixtrans-63.9-53.1175.9178.264.8000111.1I694 Q754 K755 T760 T761 L762I694-L758 HydrophobicContact CB-CD1 4Å; I694-L758 HydrophobicContact CD1-CD1 3.95Å; I694-L758 HydrophobicContact CG2-CB 4.3Å; I694-L758 HydrophobicContact CG2-CD1 3.71Å; Q754-L758 PolarHBondContact O-N 3.05Å; Q754-L758 VanDerWaalsContact O-N 3.14Å; K755-L758 PolarHBondContact O-N 3.43Å; L758-T760 VanDerWaalsContact C-N 3.26Å; L758-T760 PolarHBondContact O-N 2.7Å; L758-T761 PolarHBondContact O-N 3.01Å; L758-L762 HydrophobicContact CD1-CD1 3.77Å; L758-L762 HydrophobicContact CD1-CD2 4.39Å; L758-L762 HydrophobicContact CD1-CG 3.93Å; L758-L762 HydrophobicContact CG-CD1 3.9Å; L758-L762 HydrophobicContact CG-CG 4.36Å; L758-L762 WeakPolarHBondContact O-CG 3.07Å; L758-L762 PolarHBondContact O-N 3.34Å
759D92.1Very high93.1Very high62 Ų6271.7 Ų71.733%0.33237%0.371SS..Hα-helixtrans-55.1-41.1179-98.536.6000112.4K755 K763K755-D759 WeakPolarHBondContact O-CB 3.34Å; K755-D759 PolarHBondContact O-N 2.62Å; D759-K763 WeakPolarHBondContact O-CB 3.47Å; D759-K763 VanDerWaalsContact O-CD 3.25Å; D759-K763 WeakPolarHBondContact O-CD 3.37Å; D759-K763 WeakPolarHBondContact O-CG 3.42Å; D759-K763 PolarHBondContact O-N 3.35Å; D759-K763 VanDerWaalsContact O-N 3.09Å; D759-K763 IonicContact OD2-NZ 2.6Å; D759-K763 PolarHBondContact OD2-NZ 3.02Å
760T94.4Very high93.2Very high92 Ų9273 Ų7356%0.56438%0.377SS*.Hα-helixtrans-71.1-45.1-179.5-56.20000111.1N756 L758 K763 M764N756-T760 VanDerWaalsContact O-CB 3.26Å; N756-T760 WeakPolarHBondContact O-CB 3.44Å; N756-T760 PolarHBondContact O-N 3.05Å; N756-T760 PolarHBondContact O-OG1 2.8Å; L758-T760 VanDerWaalsContact C-N 3.26Å; L758-T760 PolarHBondContact O-N 2.7Å; T760-K763 PolarHBondContact O-N 3.47Å; T760-M764 PolarHBondContact O-N 3.05Å
761T93.6Very high93.2Very high25 Ų2576.9 Ų76.915%0.15339%0.39CS..Hα-helixtrans-63.1-43.8178.3-54.20000111.6I694 F757 L758 M764 I765I694-T761 HydrophobicContact CD1-CG2 3.67Å; F757-T761 WeakPolarHBondContact O-CB 3.32Å; F757-T761 PolarHBondContact O-N 2.89Å; F757-T761 PolarHBondContact O-OG1 3.17Å; L758-T761 PolarHBondContact O-N 3.01Å; T761-M764 WeakPolarHBondContact O-CB 3.23Å; T761-M764 PolarHBondContact O-N 3.03Å; T761-I765 HydrophobicContact CG2-CD1 4.05Å; T761-I765 WeakPolarHBondContact O-CG1 3.37Å; T761-I765 PolarHBondContact O-N 3.45Å
762L93Very high93.4Very high34 Ų3476.9 Ų76.918%0.17839%0.385CS..Hα-helixtrans-65.7-39.4176.8-64.6179.4000112.4L687 T691 L758 M764 I765 L766L687-L762 HydrophobicContact CD1-CD2 3.74Å; L687-L762 HydrophobicContact CG-CD2 4.49Å; T691-L762 VanDerWaalsContact OG1-CD2 3.29Å; T691-L762 WeakPolarHBondContact OG1-CD2 3.29Å; L758-L762 HydrophobicContact CD1-CD1 3.77Å; L758-L762 HydrophobicContact CD1-CD2 4.39Å; L758-L762 HydrophobicContact CD1-CG 3.93Å; L758-L762 HydrophobicContact CG-CD1 3.9Å; L758-L762 HydrophobicContact CG-CG 4.36Å; L758-L762 WeakPolarHBondContact O-CG 3.07Å; L758-L762 PolarHBondContact O-N 3.34Å; L762-M764 VanDerWaalsContact C-N 3.33Å; L762-M764 PolarHBondContact O-N 2.99Å; L762-I765 PolarHBondContact O-N 3.44Å; L762-L766 WeakPolarHBondContact O-CB 3.49Å; L762-L766 VanDerWaalsContact O-CG 3.27Å; L762-L766 WeakPolarHBondContact O-CG 3.49Å; L762-L766 PolarHBondContact O-N 3Å
763K94.3Very high93.4Very high128 Ų12876.2 Ų76.256%0.55738%0.375SS*.Hα-helixtrans-62.8-38.1173.2-74.6163.6-168157.30112.1D759 T760 S767D759-K763 WeakPolarHBondContact O-CB 3.47Å; D759-K763 VanDerWaalsContact O-CD 3.25Å; D759-K763 WeakPolarHBondContact O-CD 3.37Å; D759-K763 WeakPolarHBondContact O-CG 3.42Å; D759-K763 PolarHBondContact O-N 3.35Å; D759-K763 VanDerWaalsContact O-N 3.09Å; D759-K763 IonicContact OD2-NZ 2.6Å; D759-K763 PolarHBondContact OD2-NZ 3.02Å; T760-K763 PolarHBondContact O-N 3.47Å; K763-S767 VanDerWaalsContact O-CB 3.31Å; K763-S767 WeakPolarHBondContact O-CB 3.24Å; K763-S767 PolarHBondContact O-N 2.91Å
764M94.6Very high93.4Very high120 Ų12074.5 Ų74.559%0.59137%0.372SS*.Hα-helixtrans-65.3-46.5175.8-173.9178.469.800111.8T760 T761 L762 S767 N768T760-M764 PolarHBondContact O-N 3.05Å; T761-M764 WeakPolarHBondContact O-CB 3.23Å; T761-M764 PolarHBondContact O-N 3.03Å; L762-M764 VanDerWaalsContact C-N 3.33Å; L762-M764 PolarHBondContact O-N 2.99Å; M764-S767 WeakPolarHBondContact O-CB 3.36Å; M764-S767 PolarHBondContact O-N 3.34Å; M764-N768 PolarHBondContact O-N 2.89Å
765I93.4Very high93.5Very high33 Ų3377.4 Ų77.417%0.16939%0.386CS..Hα-helixtrans-60.9-49.6176.3-66.7164.2000110.4L687 E690 T761 L762 S767 N768 N769L687-I765 HydrophobicContact CD1-CB 4.27Å; L687-I765 HydrophobicContact CD1-CG2 3.82Å; E690-I765 HydrophobicContact CB-CD1 4.17Å; E690-I765 HydrophobicContact CG-CD1 3.87Å; T761-I765 HydrophobicContact CG2-CD1 4.05Å; T761-I765 WeakPolarHBondContact O-CG1 3.37Å; T761-I765 PolarHBondContact O-N 3.45Å; L762-I765 PolarHBondContact O-N 3.44Å; I765-S767 PolarHBondContact O-N 3.44Å; I765-N768 PolarHBondContact O-N 2.97Å; I765-N768 VanDerWaalsContact O-N 3.1Å; I765-N769 WeakPolarHBondContact O-CB 3.36Å; I765-N769 PolarHBondContact O-N 3.42Å; I765-N769 PolarHBondContact O-OD1 3.19Å; I765-N769 VanDerWaalsContact O-OD1 3.09Å
766L93.1Very high93.4Very high79 Ų7972.7 Ų72.741%0.41437%0.368SS..Hα-helixtrans-60.3-30.2177.3-71.5168.9000113.2L687 L762 K770L687-L766 HydrophobicContact CD1-CD2 4.36Å; L687-L766 HydrophobicContact CD1-CG 4.24Å; L687-L766 HydrophobicContact CD2-CD2 3.91Å; L762-L766 WeakPolarHBondContact O-CB 3.49Å; L762-L766 VanDerWaalsContact O-CG 3.27Å; L762-L766 WeakPolarHBondContact O-CG 3.49Å; L762-L766 PolarHBondContact O-N 3Å; L766-K770 WeakPolarHBondContact O-CB 3.36Å; L766-K770 VanDerWaalsContact O-CG 3.32Å; L766-K770 WeakPolarHBondContact O-CG 3.38Å; L766-K770 PolarHBondContact O-N 2.98Å
767S94.4Very high93.3Very high67 Ų6772.5 Ų72.547%0.46936%0.364SS..Hα-helixtrans-73.4-37.4174.6-176.20000112.9K763 M764 I765 R771K763-S767 VanDerWaalsContact O-CB 3.31Å; K763-S767 WeakPolarHBondContact O-CB 3.24Å; K763-S767 PolarHBondContact O-N 2.91Å; M764-S767 WeakPolarHBondContact O-CB 3.36Å; M764-S767 PolarHBondContact O-N 3.34Å; I765-S767 PolarHBondContact O-N 3.44Å; S767-R771 PolarHBondContact O-N 3.02Å; S767-R771 PolarHBondContact O-NH2 3.36Å
768N93.9Very high93.2Very high65 Ų6572.9 Ų72.935%0.34836%0.362SS..Hα-helixtrans-68.4-50.4171.7-92.925.9000111.6M764 I765 K770 R771 E772M764-N768 PolarHBondContact O-N 2.89Å; I765-N768 PolarHBondContact O-N 2.97Å; I765-N768 VanDerWaalsContact O-N 3.1Å; N768-K770 VanDerWaalsContact C-N 3.28Å; N768-K770 PolarHBondContact O-N 2.93Å; N768-R771 WeakPolarHBondContact O-CA 3.4Å; N768-R771 VanDerWaalsContact O-CB 3.31Å; N768-R771 WeakPolarHBondContact O-CB 3.43Å; N768-R771 PolarHBondContact O-N 3.42Å; N768-R771 VanDerWaalsContact OD1-CZ 3.28Å; N768-R771 PolarHBondContact OD1-NH1 2.92Å; N768-R771 PolarHBondContact OD1-NH2 3.4Å; N768-E772 PolarHBondContact O-N 2.95Å
769N94.3Very high93.1Very high16 Ų1676.1 Ų76.19%0.08638%0.376CS..Hα-helixtrans-53.4-45.4-179.8-66.88.7000111.6H683 I765 R771 E772 I773H683-N769 HydrophobicContact CB-CB 4.3Å; H683-N769 WeakPolarHBondContact CB-ND2 3.46Å; H683-N769 PolarHBondContact CE1-O 3.04Å; H683-N769 VanDerWaalsContact CE1-O 3.3Å; H683-N769 WeakPolarHBondContact ND1-CB 3.47Å; I765-N769 WeakPolarHBondContact O-CB 3.36Å; I765-N769 PolarHBondContact O-N 3.42Å; I765-N769 PolarHBondContact O-OD1 3.19Å; I765-N769 VanDerWaalsContact O-OD1 3.09Å; N769-R771 VanDerWaalsContact C-N 3.31Å; N769-R771 PolarHBondContact O-N 2.86Å; N769-E772 PolarHBondContact O-N 3.14Å; N769-I773 WeakPolarHBondContact O-CG1 3.32Å; N769-I773 PolarHBondContact O-N 2.93Å; N769-I773 VanDerWaalsContact O-N 3.07Å
770K93.5Very high93.1Very high157 Ų15773.7 Ų73.768%0.68336%0.364SS*.Hα-helixtrans-64.1-31.1174.9-77.1-176175-165.90113.9L766 N768 A774L766-K770 WeakPolarHBondContact O-CB 3.36Å; L766-K770 VanDerWaalsContact O-CG 3.32Å; L766-K770 WeakPolarHBondContact O-CG 3.38Å; L766-K770 PolarHBondContact O-N 2.98Å; N768-K770 VanDerWaalsContact C-N 3.28Å; N768-K770 PolarHBondContact O-N 2.93Å; K770-A774 VanDerWaalsContact O-CB 3.28Å; K770-A774 WeakPolarHBondContact O-CB 3.46Å; K770-A774 PolarHBondContact O-N 2.87Å; K770-A774 VanDerWaalsContact O-N 3.09Å
771R94.5Very high92.8Very high122 Ų12272.6 Ų72.646%0.4636%0.355SS..Hα-helixtrans-72.7-45.1176.5-162.3-174.1-46.3113.920.9110.9S767 N768 N769 I773 A774 E775S767-R771 PolarHBondContact O-N 3.02Å; S767-R771 PolarHBondContact O-NH2 3.36Å; N768-R771 WeakPolarHBondContact O-CA 3.4Å; N768-R771 VanDerWaalsContact O-CB 3.31Å; N768-R771 WeakPolarHBondContact O-CB 3.43Å; N768-R771 PolarHBondContact O-N 3.42Å; N768-R771 VanDerWaalsContact OD1-CZ 3.28Å; N768-R771 PolarHBondContact OD1-NH1 2.92Å; N768-R771 PolarHBondContact OD1-NH2 3.4Å; N769-R771 VanDerWaalsContact C-N 3.31Å; N769-R771 PolarHBondContact O-N 2.86Å; R771-I773 VanDerWaalsContact C-N 3.33Å; R771-I773 PolarHBondContact O-N 2.83Å; R771-A774 PolarHBondContact O-N 3.16Å; R771-E775 WeakPolarHBondContact O-CB 3.34Å; R771-E775 PolarHBondContact O-N 3.27Å
772E93.9Very high92.6Very high77 Ų7775.6 Ų75.636%0.3637%0.369SS..Hα-helixtrans-59.3-42.5176.9-69.6166.1-152.200111.6H683 N768 N769 T776H683-E772 IonicContact CD2-OE2 2.62Å; H683-E772 IonicContact CE1-OE2 3.8Å; H683-E772 IonicContact NE2-OE2 3.89Å; H683-E772 PolarHBondContact NE2-OE2 2.95Å; N768-E772 PolarHBondContact O-N 2.95Å; N769-E772 PolarHBondContact O-N 3.14Å; E772-T776 WeakPolarHBondContact O-CB 3.24Å; E772-T776 PolarHBondContact O-N 3.44Å; E772-T776 VanDerWaalsContact O-N 3.07Å; E772-T776 PolarHBondContact O-OG1 2.99Å
773I92.9Very high92.5Very high29 Ų2978.2 Ų78.215%0.14938%0.38CS..Hα-helixtrans-62.3-55.9172.7-68.4165.1000110.6I676 M679 E680 N769 R771 E775 T776 E777I676-I773 HydrophobicContact CG2-CG2 4.46Å; M679-I773 HydrophobicContact CE-CG1 4.06Å; E680-I773 HydrophobicContact CG-CD1 4.06Å; N769-I773 WeakPolarHBondContact O-CG1 3.32Å; N769-I773 PolarHBondContact O-N 2.93Å; N769-I773 VanDerWaalsContact O-N 3.07Å; R771-I773 VanDerWaalsContact C-N 3.33Å; R771-I773 PolarHBondContact O-N 2.83Å; I773-E775 PolarHBondContact O-N 3.21Å; I773-E775 VanDerWaalsContact O-N 3.14Å; I773-T776 PolarHBondContact O-N 2.9Å; I773-T776 VanDerWaalsContact O-N 3.11Å; I773-E777 HydrophobicContact CG2-CG 4.22Å; I773-E777 WeakPolarHBondContact O-CG 3.39Å; I773-E777 PolarHBondContact O-N 3.24Å
774A92.1Very high92.3Very high44 Ų4475 Ų7536%0.36437%0.366SS..Hα-helixtrans-68.7-12.2-176.600000114.8K770 R771 R778K770-A774 VanDerWaalsContact O-CB 3.28Å; K770-A774 WeakPolarHBondContact O-CB 3.46Å; K770-A774 PolarHBondContact O-N 2.87Å; K770-A774 VanDerWaalsContact O-N 3.09Å; R771-A774 PolarHBondContact O-N 3.16Å; A774-R778 WeakPolarHBondContact O-CB 3.34Å; A774-R778 PolarHBondContact O-NH2 2.84Å
775E93.4Very high92.1Very high96 Ų9670.6 Ų70.645%0.44934%0.343SS..Hα-helixtrans-85.6-45.3170.6-169.5137.4-112.400110.5R771 I773 R778 E779R771-E775 WeakPolarHBondContact O-CB 3.34Å; R771-E775 PolarHBondContact O-N 3.27Å; I773-E775 PolarHBondContact O-N 3.21Å; I773-E775 VanDerWaalsContact O-N 3.14Å; E775-R778 WeakPolarHBondContact O-CB 3.4Å; E775-R778 PolarHBondContact O-N 2.89Å; E775-R778 IonicContact OE1-NH1 2.62Å; E775-E779 PolarHBondContact O-N 2.86Å
776T91.3Very high91.9Very high33 Ų3375 Ų7520%0.20236%0.363CS..Hα-helixtrans-63.8-41.6174.8-54.20000112.4T675 I676 M679 E772 I773 R778 E779 C780T675-T776 HydrophobicContact CG2-CG2 4.06Å; I676-T776 HydrophobicContact CD1-CG2 3.93Å; M679-T776 HydrophobicContact CE-CG2 3.78Å; M679-T776 WeakPolarHBondContact CE-OG1 3.38Å; E772-T776 WeakPolarHBondContact O-CB 3.24Å; E772-T776 PolarHBondContact O-N 3.44Å; E772-T776 VanDerWaalsContact O-N 3.07Å; E772-T776 PolarHBondContact O-OG1 2.99Å; I773-T776 PolarHBondContact O-N 2.9Å; I773-T776 VanDerWaalsContact O-N 3.11Å; T776-R778 VanDerWaalsContact C-N 3.3Å; T776-R778 PolarHBondContact O-N 3.41Å; T776-E779 PolarHBondContact O-N 3.11Å; T776-C780 PolarHBondContact O-N 3.31Å; T776-C780 PolarHBondContact O-SG 3.31Å
777E90.7Very high91.9Very high87 Ų8773.3 Ų73.341%0.40735%0.354SS..Hα-helixtrans-61.2-38.7173.8-71.9-179.4129.400111.8I676 I773 C780 L781I676-E777 HydrophobicContact CD1-CG 3.83Å; I676-E777 HydrophobicContact CG1-CG 4.36Å; I773-E777 HydrophobicContact CG2-CG 4.22Å; I773-E777 WeakPolarHBondContact O-CG 3.39Å; I773-E777 PolarHBondContact O-N 3.24Å; E777-C780 PolarHBondContact O-N 2.75Å; E777-L781 WeakPolarHBondContact O-CB 3.37Å; E777-L781 PolarHBondContact O-N 3.18Å
778R91.4Very high91.6Very high131 Ų13172.4 Ų72.449%0.49434%0.344SS..Hα-helixtrans-67.6-40.5177-165.8-169.3-48.2140.618.3111.8A774 E775 T776 L781 N782A774-R778 WeakPolarHBondContact O-CB 3.34Å; A774-R778 PolarHBondContact O-NH2 2.84Å; E775-R778 WeakPolarHBondContact O-CB 3.4Å; E775-R778 PolarHBondContact O-N 2.89Å; E775-R778 IonicContact OE1-NH1 2.62Å; T776-R778 VanDerWaalsContact C-N 3.3Å; T776-R778 PolarHBondContact O-N 3.41Å; R778-L781 PolarHBondContact O-N 2.86Å; R778-N782 WeakPolarHBondContact O-CB 3.38Å; R778-N782 VanDerWaalsContact O-CG 3.23Å; R778-N782 PolarHBondContact O-N 3.12Å; R778-N782 PolarHBondContact O-ND2 3.41Å
779E90.8Very high91.4Very high101 Ų10174.8 Ų74.847%0.47235%0.348SS..Hα-helixtrans-61.6-44171.7-82.2-161.1-15500112.5E775 T776 N782 K783E775-E779 PolarHBondContact O-N 2.86Å; T776-E779 PolarHBondContact O-N 3.11Å; E779-N782 PolarHBondContact O-N 2.86Å; E779-K783 WeakPolarHBondContact O-CD 3.49Å; E779-K783 VanDerWaalsContact O-CG 3.31Å; E779-K783 WeakPolarHBondContact O-CG 3.36Å; E779-K783 PolarHBondContact O-N 3.41Å; E779-K783 IonicContact OE2-NZ 2.62Å; E779-K783 PolarHBondContact OE2-NZ 3.26Å
780C90.8Very high91.3Very high12 Ų1279 Ų798%0.08137%0.367CS..Hα-helixtrans-65.8-40.8178.5-63.10000111.4Q672 T776 E777 K783 K784Q672-C780 HydrophobicContact CB-CB 4.09Å; Q672-C780 HydrophobicContact CG-CB 3.71Å; T776-C780 PolarHBondContact O-N 3.31Å; T776-C780 PolarHBondContact O-SG 3.31Å; E777-C780 PolarHBondContact O-N 2.75Å; C780-K783 PolarHBondContact O-N 3.13Å; C780-K784 WeakPolarHBondContact O-CB 3.42Å; C780-K784 PolarHBondContact O-N 3.36Å
781L89.3Confident91.3Very high69 Ų6974.8 Ų74.836%0.36135%0.347SS..Hα-helixtrans-61-45.7173.4-176.961.6000111.4E777 R778 K783 K784 Q785E777-L781 WeakPolarHBondContact O-CB 3.37Å; E777-L781 PolarHBondContact O-N 3.18Å; R778-L781 PolarHBondContact O-N 2.86Å; L781-K783 PolarHBondContact O-N 3.23Å; L781-K784 PolarHBondContact O-N 3.3Å; L781-Q785 HydrophobicContact CD1-CG 4.44Å; L781-Q785 WeakPolarHBondContact O-CG 3.45Å; L781-Q785 PolarHBondContact O-N 3.37Å
782N89.4Confident91.1Very high87 Ų8771.2 Ų71.247%0.46534%0.335SS..Hα-helixtrans-58.2-49.8176.3-74.9-18.2000111.7R778 E779 K784 Q785 E786R778-N782 WeakPolarHBondContact O-CB 3.38Å; R778-N782 VanDerWaalsContact O-CG 3.23Å; R778-N782 PolarHBondContact O-N 3.12Å; R778-N782 PolarHBondContact O-ND2 3.41Å; E779-N782 PolarHBondContact O-N 2.86Å; N782-K784 VanDerWaalsContact C-N 3.31Å; N782-K784 PolarHBondContact O-N 3.01Å; N782-Q785 PolarHBondContact O-N 2.97Å; N782-E786 WeakPolarHBondContact O-CB 3.22Å; N782-E786 PolarHBondContact O-N 3Å
783K91Very high91Very high90 Ų9069.2 Ų69.239%0.39133%0.332SS..Hα-helixtrans-60.1-39.4177.4-69.5162.3-169.8161.80111.8L668 E779 C780 L781 E786 L787L668-K783 HydrophobicContact CD1-CB 4.47Å; L668-K783 HydrophobicContact CD2-CB 4.01Å; E779-K783 WeakPolarHBondContact O-CD 3.49Å; E779-K783 VanDerWaalsContact O-CG 3.31Å; E779-K783 WeakPolarHBondContact O-CG 3.36Å; E779-K783 PolarHBondContact O-N 3.41Å; E779-K783 IonicContact OE2-NZ 2.62Å; E779-K783 PolarHBondContact OE2-NZ 3.26Å; C780-K783 PolarHBondContact O-N 3.13Å; L781-K783 PolarHBondContact O-N 3.23Å; K783-E786 PolarHBondContact O-N 2.97Å; K783-L787 PolarHBondContact O-N 3.32Å
784K90.4Very high91Very high61 Ų6169.3 Ų69.327%0.26533%0.334SS..Hα-helixtrans-65.7-43.3174.6172.6163.8172.8173.10112.4L665 L668 E669 C780 L781 N782 E786 I788L665-K784 HydrophobicContact CD1-CD 4.05Å; L665-K784 HydrophobicContact CD1-CG 3.81Å; L668-K784 HydrophobicContact CD2-CB 3.95Å; E669-K784 WeakPolarHBondContact OE1-CE 3.41Å; E669-K784 IonicContact OE1-NZ 3.6Å; E669-K784 PolarHBondContact OE1-NZ 3.03Å; C780-K784 WeakPolarHBondContact O-CB 3.42Å; C780-K784 PolarHBondContact O-N 3.36Å; L781-K784 PolarHBondContact O-N 3.3Å; N782-K784 VanDerWaalsContact C-N 3.31Å; N782-K784 PolarHBondContact O-N 3.01Å; K784-E786 VanDerWaalsContact C-N 3.29Å; K784-E786 PolarHBondContact O-N 3.49Å; K784-I788 HydrophobicContact CG-CD1 4.05Å; K784-I788 WeakPolarHBondContact O-CD1 3.35Å; K784-I788 VanDerWaalsContact O-CG1 3.27Å; K784-I788 WeakPolarHBondContact O-CG1 3.27Å; K784-I788 PolarHBondContact O-N 2.88Å; K784-I788 VanDerWaalsContact O-N 3.16Å
785Q88.9Confident91Very high26 Ų2668.2 Ų68.212%0.12132%0.322CS..Hα-helixtrans-65.3-33.3174.9-68-166.51.500112.2L781 N782 R789 L980L781-Q785 HydrophobicContact CD1-CG 4.44Å; L781-Q785 WeakPolarHBondContact O-CG 3.45Å; L781-Q785 PolarHBondContact O-N 3.37Å; N782-Q785 PolarHBondContact O-N 2.97Å; Q785-R789 VanDerWaalsContact O-CG 3.27Å; Q785-R789 WeakPolarHBondContact O-CG 3.48Å; Q785-R789 PolarHBondContact O-N 3.45Å; Q785-R789 VanDerWaalsContact O-N 3.13Å; Q785-L980 HydrophobicContact CB-CD2 4.06Å; Q785-L980 HydrophobicContact CG-CD2 3.84Å; Q785-L980 PolarHBondContact NE2-O 3.23Å
786E90.6Very high90.9Very high125 Ų12564.8 Ų64.858%0.58431%0.305SS*.Hα-helixtrans-66.8-51.2176.8-171160.2-138.400111.9N782 K783 K784 I788 R789 E790N782-E786 WeakPolarHBondContact O-CB 3.22Å; N782-E786 PolarHBondContact O-N 3Å; K783-E786 PolarHBondContact O-N 2.97Å; K784-E786 VanDerWaalsContact C-N 3.29Å; K784-E786 PolarHBondContact O-N 3.49Å; E786-I788 VanDerWaalsContact C-N 3.27Å; E786-I788 PolarHBondContact O-N 2.81Å; E786-R789 WeakPolarHBondContact O-CB 3.31Å; E786-R789 PolarHBondContact O-N 3.37Å; E786-E790 PolarHBondContact O-N 2.81Å
787L91.6Very high91Very high44 Ų4468.2 Ų68.223%0.2332%0.322CS..Hα-helixtrans-56.9-37.8173.6-73.4177.5000112.8L668 K783 E790 R791L668-L787 HydrophobicContact CB-CD1 4.38Å; L668-L787 HydrophobicContact CD2-CD1 3.76Å; K783-L787 PolarHBondContact O-N 3.32Å; L787-E790 PolarHBondContact O-N 3.08Å; L787-R791 VanDerWaalsContact O-CB 3.24Å; L787-R791 WeakPolarHBondContact O-CB 3.37Å; L787-R791 PolarHBondContact O-N 2.73Å
788I89.6Confident91.2Very high49 Ų4965.4 Ų65.425%0.25131%0.309SS..Hα-helixtrans-65.5-41.5176.8-69.2165.7000111K784 E786 E792 L980K784-I788 HydrophobicContact CG-CD1 4.05Å; K784-I788 WeakPolarHBondContact O-CD1 3.35Å; K784-I788 VanDerWaalsContact O-CG1 3.27Å; K784-I788 WeakPolarHBondContact O-CG1 3.27Å; K784-I788 PolarHBondContact O-N 2.88Å; K784-I788 VanDerWaalsContact O-N 3.16Å; E786-I788 VanDerWaalsContact C-N 3.27Å; E786-I788 PolarHBondContact O-N 2.81Å; I788-E792 WeakPolarHBondContact O-CG 3.31Å; I788-E792 PolarHBondContact O-N 3.25Å; I788-L980 HydrophobicContact CG2-CD2 4.2Å
789R89.7Confident91.3Very high115 Ų11561.4 Ų61.443%0.43430%0.296SS..Hα-helixtrans-66.1-40.5175.6-68.8165.4-171.2131.19111.9Q785 E786 E792 A793 L980Q785-R789 VanDerWaalsContact O-CG 3.27Å; Q785-R789 WeakPolarHBondContact O-CG 3.48Å; Q785-R789 PolarHBondContact O-N 3.45Å; Q785-R789 VanDerWaalsContact O-N 3.13Å; E786-R789 WeakPolarHBondContact O-CB 3.31Å; E786-R789 PolarHBondContact O-N 3.37Å; R789-E792 PolarHBondContact O-N 3.5Å; R789-A793 WeakPolarHBondContact O-CB 3.4Å; R789-A793 PolarHBondContact O-N 3.19Å; R789-L980 HydrophobicContact CG-CD1 3.85Å
790E91.9Very high91.4Very high104 Ų10458.8 Ų58.849%0.48628%0.284SS..Hα-helixtrans-66.1-42.2177.7-170.3-175.3-168.700111.8F661 E786 L787 E792 A793 T794F661-E790 HydrophobicContact CE1-CB 4.22Å; F661-E790 HydrophobicContact CE1-CG 3.92Å; F661-E790 HydrophobicContact CZ-CG 4.02Å; E786-E790 PolarHBondContact O-N 2.81Å; L787-E790 PolarHBondContact O-N 3.08Å; E790-E792 PolarHBondContact O-N 3.39Å; E790-A793 PolarHBondContact O-N 3.4Å; E790-T794 WeakPolarHBondContact O-CB 3.33Å; E790-T794 PolarHBondContact O-N 2.82Å; E790-T794 PolarHBondContact O-OG1 3.41Å
791R92.6Very high91.5Very high69 Ų6963.4 Ų63.426%0.2630%0.303SS..Hα-helixtrans-57.8-45.9172.8-178.2-177.6-171.7-81.57.4111.7F661 D662 L787 L795F661-R791 HydrophobicContact CB-CB 3.91Å; F661-R791 HydrophobicContact CB-CG 3.61Å; F661-R791 HydrophobicContact CD1-CB 3.91Å; F661-R791 HydrophobicContact CD1-CG 4.49Å; F661-R791 HydrophobicContact CD2-CB 3.85Å; F661-R791 HydrophobicContact CD2-CG 3.75Å; F661-R791 HydrophobicContact CE1-CB 4.37Å; F661-R791 HydrophobicContact CE2-CB 4.31Å; F661-R791 HydrophobicContact CG-CB 3.63Å; F661-R791 HydrophobicContact CG-CG 3.72Å; D662-R791 IonicContact OD1-CZ 2.68Å; D662-R791 IonicContact OD1-NE 3.37Å; D662-R791 PolarHBondContact OD1-NE 3.41Å; D662-R791 IonicContact OD1-NH2 3.81Å; D662-R791 PolarHBondContact OD1-NH2 3.14Å; D662-R791 IonicContact OD2-NH2 3.58Å; D662-R791 PolarHBondContact OD2-NH2 3.01Å; L787-R791 VanDerWaalsContact O-CB 3.24Å; L787-R791 WeakPolarHBondContact O-CB 3.37Å; L787-R791 PolarHBondContact O-N 2.73Å; R791-L795 HydrophobicContact CG-CD1 4.42Å; R791-L795 VanDerWaalsContact O-CG 3.26Å; R791-L795 WeakPolarHBondContact O-CG 3.35Å; R791-L795 PolarHBondContact O-N 3.18Å
792E91.3Very high91.8Very high46 Ų4660.8 Ų60.822%0.21529%0.289CS..Hα-helixtrans-67-45.8176.4-74.4-168.814100112.7I788 R789 E790 T794 L795 W796 S976I788-E792 WeakPolarHBondContact O-CG 3.31Å; I788-E792 PolarHBondContact O-N 3.25Å; R789-E792 PolarHBondContact O-N 3.5Å; E790-E792 PolarHBondContact O-N 3.39Å; E792-T794 PolarHBondContact O-N 3.32Å; E792-L795 PolarHBondContact O-N 2.99Å; E792-W796 HydrophobicContact CB-CD2 4.44Å; E792-W796 HydrophobicContact CB-CE3 4.37Å; E792-W796 HydrophobicContact CB-CH2 3.6Å; E792-W796 HydrophobicContact CB-CZ2 3.71Å; E792-W796 HydrophobicContact CB-CZ3 3.94Å; E792-W796 HydrophobicContact CG-CH2 4.36Å; E792-W796 HydrophobicContact CG-CZ2 4.22Å; E792-W796 VanDerWaalsContact O-CG 3.25Å; E792-W796 PolarHBondContact O-N 2.9Å; E792-W796 WeakPolarHBondContact OE2-CH2 3.44Å; E792-S976 VanDerWaalsContact CD-OG 3.22Å; E792-S976 VanDerWaalsContact OE1-CB 3.26Å; E792-S976 WeakPolarHBondContact OE1-CB 3.46Å; E792-S976 PolarHBondContact OE1-OG 2.99Å; E792-S976 WeakPolarHBondContact OE2-CB 3.32Å; E792-S976 PolarHBondContact OE2-OG 3.1Å; E792-S976 VanDerWaalsContact OE2-OG 3.14Å
793A90.8Very high92Very high36 Ų3658.9 Ų58.930%0.29828%0.279SS..Hα-helixtrans-57-51.1177.200000111.5R789 E790 L795 W796 D797R789-A793 WeakPolarHBondContact O-CB 3.4Å; R789-A793 PolarHBondContact O-N 3.19Å; E790-A793 PolarHBondContact O-N 3.4Å; A793-L795 VanDerWaalsContact C-N 3.27Å; A793-L795 PolarHBondContact O-N 3.24Å; A793-W796 PolarHBondContact O-N 3.18Å; A793-D797 VanDerWaalsContact O-CG 3.31Å; A793-D797 PolarHBondContact O-N 3.27Å
794T93.4Very high92.1Very high30 Ų3058.5 Ų58.518%0.18428%0.28CS..Hα-helixtrans-55.8-41.7177.3-55.70000111.8K657 F661 E790 E792 M798K657-T794 HydrophobicContact CD-CG2 4.1Å; K657-T794 HydrophobicContact CG-CG2 4.42Å; F661-T794 HydrophobicContact CE2-CG2 4.05Å; F661-T794 WeakPolarHBondContact CZ-OG1 3.32Å; E790-T794 WeakPolarHBondContact O-CB 3.33Å; E790-T794 PolarHBondContact O-N 2.82Å; E790-T794 PolarHBondContact O-OG1 3.41Å; E792-T794 PolarHBondContact O-N 3.32Å; T794-M798 HydrophobicContact CG2-SD 4.16Å; T794-M798 WeakPolarHBondContact O-CB 3.43Å; T794-M798 WeakPolarHBondContact O-CG 3.34Å; T794-M798 PolarHBondContact O-N 3.04Å; T794-M798 VanDerWaalsContact O-N 3.11Å
795L92Very high92.3Very high22 Ų2259 Ų5912%0.11529%0.286CS..Hα-helixtrans-68.9-36.5178.4-72.5170.5000112.5I654 K658 R791 E792 A793 E799I654-L795 HydrophobicContact CD1-CD2 4.25Å; I654-L795 HydrophobicContact CG1-CD2 4.23Å; I654-L795 HydrophobicContact CG2-CD2 4.31Å; K658-L795 HydrophobicContact CG-CD1 4.35Å; K658-L795 HydrophobicContact CG-CD2 4.15Å; R791-L795 HydrophobicContact CG-CD1 4.42Å; R791-L795 VanDerWaalsContact O-CG 3.26Å; R791-L795 WeakPolarHBondContact O-CG 3.35Å; R791-L795 PolarHBondContact O-N 3.18Å; E792-L795 PolarHBondContact O-N 2.99Å; A793-L795 VanDerWaalsContact C-N 3.27Å; A793-L795 PolarHBondContact O-N 3.24Å; L795-E799 WeakPolarHBondContact O-CG 3.43Å; L795-E799 PolarHBondContact O-N 3.14Å
796W92.6Very high92.5Very high24 Ų2460.8 Ų60.89%0.09129%0.294CS..Hα-helixtrans-69.5-39.7176-60.2-33.5000112.7E792 A793 M798 E799 E800 W965 L969 R972 K973E792-W796 HydrophobicContact CB-CD2 4.44Å; E792-W796 HydrophobicContact CB-CE3 4.37Å; E792-W796 HydrophobicContact CB-CH2 3.6Å; E792-W796 HydrophobicContact CB-CZ2 3.71Å; E792-W796 HydrophobicContact CB-CZ3 3.94Å; E792-W796 HydrophobicContact CG-CH2 4.36Å; E792-W796 HydrophobicContact CG-CZ2 4.22Å; E792-W796 VanDerWaalsContact O-CG 3.25Å; E792-W796 PolarHBondContact O-N 2.9Å; E792-W796 WeakPolarHBondContact OE2-CH2 3.44Å; A793-W796 PolarHBondContact O-N 3.18Å; W796-M798 VanDerWaalsContact C-N 3.3Å; W796-M798 PolarHBondContact O-N 3.26Å; W796-E799 WeakPolarHBondContact O-CB 3.47Å; W796-E799 PolarHBondContact O-N 2.99Å; W796-E800 PolarHBondContact O-N 3.13Å; W796-W965 HydrophobicContact CB-CZ2 4.38Å; W796-W965 WeakPolarHBondContact O-CZ2 3.44Å; W796-L969 HydrophobicContact CB-CD1 3.84Å; W796-L969 HydrophobicContact CD2-CD1 3.35Å; W796-L969 HydrophobicContact CE3-CD1 3.97Å; W796-L969 HydrophobicContact CG-CD1 3.28Å; W796-L969 HydrophobicContact CZ2-CD1 4.42Å; W796-R972 HydrophobicContact CZ2-CB 4.48Å; W796-K973 HydrophobicContact CE3-CD 4.34Å; W796-K973 HydrophobicContact CE3-CG 4.16Å; W796-K973 HydrophobicContact CH2-CB 4.43Å; W796-K973 HydrophobicContact CH2-CD 4.4Å; W796-K973 HydrophobicContact CH2-CG 3.42Å; W796-K973 VanDerWaalsContact CH2-CG 3.42Å; W796-K973 HydrophobicContact CZ2-CG 3.99Å; W796-K973 HydrophobicContact CZ3-CD 4.02Å; W796-K973 HydrophobicContact CZ3-CG 3.53Å
797D93.3Very high92.7Very high104 Ų10456 Ų5656%0.55627%0.271SS*.Hα-helixtrans-66.8-35.8177.5-61.3-16.8000110.9A793 K801A793-D797 VanDerWaalsContact O-CG 3.31Å; A793-D797 PolarHBondContact O-N 3.27Å; D797-K801 WeakPolarHBondContact O-CB 3.36Å; D797-K801 PolarHBondContact O-N 2.77Å
798M93.5Very high92.9Very high28 Ų2859.8 Ų59.814%0.13829%0.287CS..Hα-helixtrans-67.6-36.5170.9-70.1176.876.700113E653 I654 K657 T794 W796 N802E653-M798 HydrophobicContact CB-CE 3.6Å; I654-M798 HydrophobicContact CG1-CE 3.77Å; I654-M798 HydrophobicContact CG1-SD 4.4Å; K657-M798 HydrophobicContact CB-SD 4.18Å; K657-M798 HydrophobicContact CG-CE 4.4Å; K657-M798 HydrophobicContact CG-SD 3.92Å; T794-M798 HydrophobicContact CG2-SD 4.16Å; T794-M798 WeakPolarHBondContact O-CB 3.43Å; T794-M798 WeakPolarHBondContact O-CG 3.34Å; T794-M798 PolarHBondContact O-N 3.04Å; T794-M798 VanDerWaalsContact O-N 3.11Å; W796-M798 VanDerWaalsContact C-N 3.3Å; W796-M798 PolarHBondContact O-N 3.26Å; M798-N802 WeakPolarHBondContact O-CB 3.49Å; M798-N802 PolarHBondContact O-N 3.27Å
799E93.3Very high93.2Very high48 Ų4858.5 Ų58.522%0.22428%0.281CS..Hα-helixtrans-63.4-46.9172.3-77.3175.6-159.400111.8L795 W796 N802 L803 W965 R972L795-E799 WeakPolarHBondContact O-CG 3.43Å; L795-E799 PolarHBondContact O-N 3.14Å; W796-E799 WeakPolarHBondContact O-CB 3.47Å; W796-E799 PolarHBondContact O-N 2.99Å; E799-N802 PolarHBondContact O-N 2.9Å; E799-L803 WeakPolarHBondContact O-CG 3.21Å; E799-L803 PolarHBondContact O-N 3.47Å; E799-W965 HydrophobicContact CB-CZ2 3.92Å; E799-W965 PolarHBondContact OE2-NE1 3.21Å; E799-R972 VanDerWaalsContact CD-NH1 3.32Å; E799-R972 IonicContact OE1-CZ 2.62Å; E799-R972 IonicContact OE1-NH1 2.68Å; E799-R972 PolarHBondContact OE1-NH1 3.1Å; E799-R972 IonicContact OE1-NH2 2.66Å; E799-R972 IonicContact OE2-CZ 2.68Å; E799-R972 VanDerWaalsContact OE2-CZ 3.29Å; E799-R972 IonicContact OE2-NH1 3.13Å; E799-R972 PolarHBondContact OE2-NH1 3.47Å; E799-R972 IonicContact OE2-NH2 2.64Å; E799-R972 PolarHBondContact OE2-NH2 2.99Å
800E93.8Very high93.4Very high46 Ų4656.6 Ų56.622%0.21528%0.279CS..Hα-helixtrans-60.8-46.3177.4-175.6140.4-136.100111.2W796 N802 L803 L804 M962 W965 R966W796-E800 PolarHBondContact O-N 3.13Å; E800-N802 PolarHBondContact O-N 3.47Å; E800-L803 PolarHBondContact O-N 2.78Å; E800-L804 HydrophobicContact CG-CD1 4.19Å; E800-L804 WeakPolarHBondContact O-CG 3.34Å; E800-L804 PolarHBondContact O-N 2.93Å; E800-L804 VanDerWaalsContact O-N 3.07Å; E800-M962 HydrophobicContact CG-CE 3.71Å; E800-M962 WeakPolarHBondContact OE1-CE 3.39Å; E800-W965 HydrophobicContact CB-CH2 3.58Å; E800-W965 HydrophobicContact CB-CZ2 4.19Å; E800-W965 HydrophobicContact CB-CZ3 3.86Å; E800-W965 VanDerWaalsContact CD-CZ3 3.5Å; E800-W965 HydrophobicContact CG-CH2 4.29Å; E800-W965 HydrophobicContact CG-CZ3 4.08Å; E800-R966 IonicContact OE1-CZ 2.72Å; E800-R966 IonicContact OE1-NE 2.65Å; E800-R966 PolarHBondContact OE1-NE 3.16Å; E800-R966 IonicContact OE1-NH2 2.74Å; E800-R966 PolarHBondContact OE1-NH2 3.43Å
801K93.8Very high93.6Very high109 Ų10953.8 Ų53.847%0.47427%0.265SS..Hα-helixtrans-58.4-44.6175.4-172.8-167.2167.4-159.80112D797 L803 L804 D805D797-K801 WeakPolarHBondContact O-CB 3.36Å; D797-K801 PolarHBondContact O-N 2.77Å; K801-L803 VanDerWaalsContact C-N 3.35Å; K801-L803 PolarHBondContact O-N 2.93Å; K801-L804 WeakPolarHBondContact O-CB 3.5Å; K801-L804 PolarHBondContact O-N 3.44Å; K801-D805 WeakPolarHBondContact CE-OD2 3.41Å; K801-D805 WeakPolarHBondContact O-CB 3.47Å; K801-D805 PolarHBondContact O-N 3.23Å
802N94.1Very high93.7Very high13 Ų1354.9 Ų54.97%0.0727%0.273CS..Hα-helixtrans-65.9-34.9179.6-173.728.5000113F650 M798 E799 E800 K806F650-N802 WeakPolarHBondContact CD1-ND2 3.48Å; F650-N802 HydrophobicContact CD2-CB 3.48Å; F650-N802 VanDerWaalsContact CD2-CB 3.48Å; F650-N802 VanDerWaalsContact CD2-ND2 3.29Å; F650-N802 WeakPolarHBondContact CD2-ND2 3.47Å; F650-N802 WeakPolarHBondContact CE1-ND2 3.48Å; F650-N802 HydrophobicContact CE2-CB 3.37Å; F650-N802 WeakPolarHBondContact CE2-ND2 3.34Å; F650-N802 HydrophobicContact CG-CB 4.2Å; F650-N802 WeakPolarHBondContact CG-ND2 3.34Å; F650-N802 HydrophobicContact CZ-CB 4.02Å; F650-N802 WeakPolarHBondContact CZ-ND2 3.36Å; M798-N802 WeakPolarHBondContact O-CB 3.49Å; M798-N802 PolarHBondContact O-N 3.27Å; E799-N802 PolarHBondContact O-N 2.9Å; E800-N802 PolarHBondContact O-N 3.47Å; N802-K806 PolarHBondContact ND2-NZ 2.86Å; N802-K806 VanDerWaalsContact O-CB 3.23Å; N802-K806 WeakPolarHBondContact O-CB 3.38Å; N802-K806 WeakPolarHBondContact O-CD 3.43Å; N802-K806 WeakPolarHBondContact O-CG 3.22Å; N802-K806 PolarHBondContact O-N 3.44Å; N802-K806 WeakPolarHBondContact OD1-CE 3.29Å; N802-K806 PolarHBondContact OD1-NZ 2.83Å
803L93.7Very high93.8Very high47 Ų4753.7 Ų53.725%0.24627%0.268CS..Hα-helixtrans-64.9-43.7173.5-70.1169.7000111E799 E800 K801 K806 H807 M962 W965E799-L803 WeakPolarHBondContact O-CG 3.21Å; E799-L803 PolarHBondContact O-N 3.47Å; E800-L803 PolarHBondContact O-N 2.78Å; K801-L803 VanDerWaalsContact C-N 3.35Å; K801-L803 PolarHBondContact O-N 2.93Å; L803-K806 PolarHBondContact O-N 3.47Å; L803-H807 WeakPolarHBondContact O-CB 3.4Å; L803-H807 PolarHBondContact O-N 3.11Å; L803-M962 HydrophobicContact CB-SD 3.65Å; L803-M962 HydrophobicContact CD1-SD 3.7Å; L803-M962 HydrophobicContact CG-SD 4.3Å; L803-W965 HydrophobicContact CD1-CB 3.98Å; L803-W965 HydrophobicContact CD1-CD2 3.95Å; L803-W965 HydrophobicContact CD1-CG 3.62Å
804L94Very high94Very high82 Ų8254 Ų5443%0.42926%0.264SS..Hα-helixtrans-63.2-48.3175.1-69.2165.2000112.3E800 K801 K806 H807 Q808E800-L804 HydrophobicContact CG-CD1 4.19Å; E800-L804 WeakPolarHBondContact O-CG 3.34Å; E800-L804 PolarHBondContact O-N 2.93Å; E800-L804 VanDerWaalsContact O-N 3.07Å; K801-L804 WeakPolarHBondContact O-CB 3.5Å; K801-L804 PolarHBondContact O-N 3.44Å; L804-K806 VanDerWaalsContact C-N 3.33Å; L804-K806 PolarHBondContact O-N 2.94Å; L804-H807 PolarHBondContact O-N 3.35Å; L804-Q808 WeakPolarHBondContact O-CB 3.3Å; L804-Q808 PolarHBondContact O-N 3.03Å
805D93.5Very high94.1Very high73 Ų7356.8 Ų56.839%0.3927%0.273SS..Hα-helixtrans-62.1-39.5178.5-74.4-21.8000111.3K801 L809K801-D805 WeakPolarHBondContact CE-OD2 3.41Å; K801-D805 WeakPolarHBondContact O-CB 3.47Å; K801-D805 PolarHBondContact O-N 3.23Å; D805-L809 WeakPolarHBondContact O-CB 3.43Å; D805-L809 PolarHBondContact O-N 3.01Å
806K93.7Very high94.2Very high63 Ų6357.2 Ų57.227%0.27428%0.276SS..Hα-helixtrans-67.5-41.6174.2-78169.71741690112.9N802 L803 L804 L809 L810N802-K806 PolarHBondContact ND2-NZ 2.86Å; N802-K806 VanDerWaalsContact O-CB 3.23Å; N802-K806 WeakPolarHBondContact O-CB 3.38Å; N802-K806 WeakPolarHBondContact O-CD 3.43Å; N802-K806 WeakPolarHBondContact O-CG 3.22Å; N802-K806 PolarHBondContact O-N 3.44Å; N802-K806 WeakPolarHBondContact OD1-CE 3.29Å; N802-K806 PolarHBondContact OD1-NZ 2.83Å; L803-K806 PolarHBondContact O-N 3.47Å; L804-K806 VanDerWaalsContact C-N 3.33Å; L804-K806 PolarHBondContact O-N 2.94Å; K806-L809 PolarHBondContact O-N 3.28Å; K806-L810 WeakPolarHBondContact O-CB 3.28Å; K806-L810 VanDerWaalsContact O-CG 3.29Å; K806-L810 WeakPolarHBondContact O-CG 3.34Å; K806-L810 PolarHBondContact O-N 3.05Å
807H95.3Very high94.3Very high23 Ų2359 Ų5911%0.10629%0.285CS..Hα-helixtrans-63.5-46.5174.617065.9000111.4L803 L804 L809 L810 K811 D955 H958L803-H807 WeakPolarHBondContact O-CB 3.4Å; L803-H807 PolarHBondContact O-N 3.11Å; L804-H807 PolarHBondContact O-N 3.35Å; H807-L809 VanDerWaalsContact C-N 3.32Å; H807-L809 PolarHBondContact O-N 3.14Å; H807-L810 PolarHBondContact O-N 3.38Å; H807-K811 VanDerWaalsContact O-CB 3.27Å; H807-K811 WeakPolarHBondContact O-CB 3.44Å; H807-K811 PolarHBondContact O-N 3.4Å; H807-D955 IonicContact CE1-OD1 2.83Å; H807-D955 PolarHBondContact CE1-OD1 2.96Å; H807-D955 IonicContact NE2-OD1 3.71Å; H807-D955 PolarHBondContact NE2-OD1 3.35Å; H807-H958 HydrophobicContact CB-CB 4.26Å; H807-H958 AromaticContact CD2-CE1 3.67Å; H807-H958 AromaticContact CD2-CG 3.82Å; H807-H958 AromaticContact CD2-ND1 3.31Å; H807-H958 PolarHBondContact CD2-ND1 3.47Å; H807-H958 VanDerWaalsContact CD2-ND1 3.31Å; H807-H958 AromaticContact CE1-CG 4Å; H807-H958 AromaticContact CE1-ND1 3.88Å; H807-H958 AromaticContact CG-CD2 3.79Å; H807-H958 AromaticContact CG-CE1 3.78Å; H807-H958 AromaticContact CG-CG 3.34Å; H807-H958 AromaticContact CG-ND1 3.35Å; H807-H958 VanDerWaalsContact CG-ND1 3.35Å; H807-H958 VanDerWaalsContact ND1-CB 3.31Å; H807-H958 WeakPolarHBondContact ND1-CB 3.18Å; H807-H958 AromaticContact ND1-CG 3.49Å; H807-H958 AromaticContact ND1-ND1 3.73Å; H807-H958 AromaticContact NE2-ND1 3.66Å
808Q95.8Very high94.4Very high124 Ų12454.8 Ų54.858%0.57926%0.261SS*.Hα-helixtrans-63-38.9178.3-173.567.3-0.400111.6L804 Q812L804-Q808 WeakPolarHBondContact O-CB 3.3Å; L804-Q808 PolarHBondContact O-N 3.03Å; Q808-Q812 PolarHBondContact O-N 3.07Å; Q808-Q812 VanDerWaalsContact O-N 3.11Å
809L94.4Very high94.5Very high23 Ų2359.7 Ų59.712%0.1228%0.282CS..Hα-helixtrans-57.5-61.8169.2177.168.8000110.3Q642 R643 I646 D805 K806 H807 K811 Q812 Q813Q642-L809 HydrophobicContact CB-CD1 4.1Å; R643-L809 HydrophobicContact CB-CD2 4.42Å; I646-L809 HydrophobicContact CD1-CB 4.26Å; I646-L809 HydrophobicContact CD1-CD1 4.02Å; I646-L809 HydrophobicContact CD1-CD2 3.84Å; I646-L809 HydrophobicContact CD1-CG 4.24Å; D805-L809 WeakPolarHBondContact O-CB 3.43Å; D805-L809 PolarHBondContact O-N 3.01Å; K806-L809 PolarHBondContact O-N 3.28Å; H807-L809 VanDerWaalsContact C-N 3.32Å; H807-L809 PolarHBondContact O-N 3.14Å; L809-K811 PolarHBondContact O-N 2.72Å; L809-K811 VanDerWaalsContact O-N 3.16Å; L809-Q812 CarbonylContact O-C 3.47Å; L809-Q812 WeakPolarHBondContact O-CA 3.32Å; L809-Q812 WeakPolarHBondContact O-CB 3.22Å; L809-Q812 PolarHBondContact O-N 3.24Å; L809-Q813 HydrophobicContact CD1-CG 4.1Å; L809-Q813 HydrophobicContact CG-CG 4Å; L809-Q813 VanDerWaalsContact O-CG 3.24Å; L809-Q813 WeakPolarHBondContact O-CG 3.43Å; L809-Q813 PolarHBondContact O-N 2.75Å
810L94Very high94.6Very high74 Ų7458.5 Ų58.539%0.38728%0.277SS..Hα-helixtrans-53.6-38.6-177.3-72.9168.6000112.3K806 H807 Q812 Q813 M814 L954K806-L810 WeakPolarHBondContact O-CB 3.28Å; K806-L810 VanDerWaalsContact O-CG 3.29Å; K806-L810 WeakPolarHBondContact O-CG 3.34Å; K806-L810 PolarHBondContact O-N 3.05Å; H807-L810 PolarHBondContact O-N 3.38Å; L810-Q812 VanDerWaalsContact C-N 3.33Å; L810-Q812 PolarHBondContact O-N 3.27Å; L810-Q813 PolarHBondContact O-N 3.26Å; L810-M814 VanDerWaalsContact O-CG 3.31Å; L810-M814 WeakPolarHBondContact O-CG 3.29Å; L810-M814 PolarHBondContact O-N 3.48Å; L810-L954 HydrophobicContact CB-CD1 4.35Å; L810-L954 HydrophobicContact CB-CD2 4.11Å
811K96Very high94.5Very high46 Ų4659.8 Ų59.820%0.228%0.283CS..Hα-helixtrans-65.3-34.5176.3-165.9169-165.41610112.6H807 L809 K815 L951 L954 D955H807-K811 VanDerWaalsContact O-CB 3.27Å; H807-K811 WeakPolarHBondContact O-CB 3.44Å; H807-K811 PolarHBondContact O-N 3.4Å; L809-K811 PolarHBondContact O-N 2.72Å; L809-K811 VanDerWaalsContact O-N 3.16Å; K811-K815 WeakPolarHBondContact O-CG 3.45Å; K811-K815 PolarHBondContact O-N 3.01Å; K811-L951 HydrophobicContact CG-CD2 4.06Å; K811-L954 HydrophobicContact CB-CD2 4.04Å; K811-D955 WeakPolarHBondContact CE-OD1 3.31Å; K811-D955 IonicContact NZ-OD1 3.81Å; K811-D955 PolarHBondContact NZ-OD1 2.9Å; K811-D955 IonicContact NZ-OD2 3.62Å; K811-D955 PolarHBondContact NZ-OD2 3.42Å
812Q95.4Very high94.6Very high92 Ų9257.9 Ų57.943%0.4327%0.273SS..Hα-helixtrans-74.5-39.4169.8-170.858.843.800112.1Q808 L809 L810 M814 K815 D816Q808-Q812 PolarHBondContact O-N 3.07Å; Q808-Q812 VanDerWaalsContact O-N 3.11Å; L809-Q812 CarbonylContact O-C 3.47Å; L809-Q812 WeakPolarHBondContact O-CA 3.32Å; L809-Q812 WeakPolarHBondContact O-CB 3.22Å; L809-Q812 PolarHBondContact O-N 3.24Å; L810-Q812 VanDerWaalsContact C-N 3.33Å; L810-Q812 PolarHBondContact O-N 3.27Å; Q812-M814 VanDerWaalsContact C-N 3.32Å; Q812-M814 PolarHBondContact O-N 3.42Å; Q812-K815 WeakPolarHBondContact O-CB 3.15Å; Q812-K815 PolarHBondContact O-N 3.45Å; Q812-K815 VanDerWaalsContact O-N 3.11Å; Q812-D816 PolarHBondContact NE2-OD1 2.91Å; Q812-D816 PolarHBondContact O-N 2.64Å
813Q94.4Very high94.6Very high20 Ų2062.4 Ų62.49%0.09329%0.293CS..Hα-helixtrans-59.5-43.5177.6-55.1-153.6-44.100111.5L639 L809 L810 D816 Q817L639-Q813 HydrophobicContact CD1-CB 4.2Å; L639-Q813 HydrophobicContact CD2-CB 3.78Å; L639-Q813 HydrophobicContact CD2-CG 3.75Å; L639-Q813 HydrophobicContact CG-CB 4.47Å; L639-Q813 PolarHBondContact O-NE2 2.85Å; L809-Q813 HydrophobicContact CD1-CG 4.1Å; L809-Q813 HydrophobicContact CG-CG 4Å; L809-Q813 VanDerWaalsContact O-CG 3.24Å; L809-Q813 WeakPolarHBondContact O-CG 3.43Å; L809-Q813 PolarHBondContact O-N 2.75Å; L810-Q813 PolarHBondContact O-N 3.26Å; Q813-D816 PolarHBondContact O-N 2.92Å; Q813-Q817 WeakPolarHBondContact O-CG 3.31Å; Q813-Q817 PolarHBondContact O-N 3.49Å
814M94.1Very high94.4Very high43 Ų4361 Ų6121%0.21229%0.286CS..Hα-helixtrans-61.1-43.7173.3-69.5-67.9-7700111.8L810 Q812 Q817 Y818 R950 L951 L954L810-M814 VanDerWaalsContact O-CG 3.31Å; L810-M814 WeakPolarHBondContact O-CG 3.29Å; L810-M814 PolarHBondContact O-N 3.48Å; Q812-M814 VanDerWaalsContact C-N 3.32Å; Q812-M814 PolarHBondContact O-N 3.42Å; M814-Q817 PolarHBondContact O-N 3.08Å; M814-Y818 HydrophobicContact CE-CE2 3.97Å; M814-Y818 VanDerWaalsContact O-CD2 3.28Å; M814-Y818 WeakPolarHBondContact O-CD2 3.45Å; M814-Y818 PolarHBondContact O-N 3.29Å; M814-R950 HydrophobicContact CE-CB 3.83Å; M814-L951 HydrophobicContact CB-CD2 4.03Å; M814-L954 HydrophobicContact CG-CD2 4.21Å
815K95.4Very high94.4Very high88 Ų8858.8 Ų58.838%0.38328%0.275SS..Hα-helixtrans-63.4-41.1176-74.9173.9178.9-177.40112.9K811 Q812 Q817 Y818 F819 L951K811-K815 WeakPolarHBondContact O-CG 3.45Å; K811-K815 PolarHBondContact O-N 3.01Å; Q812-K815 WeakPolarHBondContact O-CB 3.15Å; Q812-K815 PolarHBondContact O-N 3.45Å; Q812-K815 VanDerWaalsContact O-N 3.11Å; K815-Q817 VanDerWaalsContact C-N 3.32Å; K815-Y818 PolarHBondContact O-N 2.92Å; K815-F819 WeakPolarHBondContact O-CB 3.48Å; K815-F819 PolarHBondContact O-N 2.68Å; K815-L951 HydrophobicContact CG-CD1 4.43Å; K815-L951 HydrophobicContact CG-CD2 4.38Å
816D94.9Very high94.3Very high32 Ų3260.2 Ų60.217%0.17128%0.282CS..Hα-helixtrans-62.4-40.2175.4-80.729.3000110.5L635 K638 Q812 Q813 L820L635-D816 HydrophobicContact CD1-CB 4.04Å; K638-D816 IonicContact NZ-OD2 3.69Å; K638-D816 PolarHBondContact NZ-OD2 3.42Å; Q812-D816 PolarHBondContact NE2-OD1 2.91Å; Q812-D816 PolarHBondContact O-N 2.64Å; Q813-D816 PolarHBondContact O-N 2.92Å; D816-L820 PolarHBondContact O-N 3.38Å
817Q93.9Very high94.2Very high62 Ų6260 Ų6029%0.2928%0.281SS..Hα-helixtrans-64.8-49.6174.9-72.3177.84.100112.6L635 L639 Q813 M814 K815 F819 L820 Q821L635-Q817 HydrophobicContact CD2-CB 4.46Å; L635-Q817 HydrophobicContact CD2-CG 3.94Å; L639-Q817 HydrophobicContact CD1-CG 3.94Å; Q813-Q817 WeakPolarHBondContact O-CG 3.31Å; Q813-Q817 PolarHBondContact O-N 3.49Å; M814-Q817 PolarHBondContact O-N 3.08Å; K815-Q817 VanDerWaalsContact C-N 3.32Å; Q817-F819 VanDerWaalsContact C-N 3.31Å; Q817-F819 PolarHBondContact O-N 2.78Å; Q817-L820 PolarHBondContact O-N 2.88Å; Q817-Q821 WeakPolarHBondContact O-CG 3.28Å; Q817-Q821 PolarHBondContact O-N 2.94Å
818Y95.1Very high93.9Very high14 Ų1463.4 Ų63.46%0.05530%0.295CS..Hα-helixtrans-67.6-30.4177.3-79.9-73.2000112.7M814 K815 Q821 R822 L943 N946 E947 R950M814-Y818 HydrophobicContact CE-CE2 3.97Å; M814-Y818 VanDerWaalsContact O-CD2 3.28Å; M814-Y818 WeakPolarHBondContact O-CD2 3.45Å; M814-Y818 PolarHBondContact O-N 3.29Å; K815-Y818 PolarHBondContact O-N 2.92Å; Y818-Q821 PolarHBondContact O-N 3.36Å; Y818-R822 WeakPolarHBondContact O-CB 3.49Å; Y818-R822 WeakPolarHBondContact O-CG 3.27Å; Y818-R822 PolarHBondContact O-N 2.84Å; Y818-L943 HydrophobicContact CD1-CD1 3.82Å; Y818-L943 HydrophobicContact CD1-CG 4.49Å; Y818-L943 HydrophobicContact CE1-CD1 3.9Å; Y818-N946 PolarHBondContact OH-OD1 3.45Å; Y818-E947 WeakPolarHBondContact CB-OE1 3.34Å; Y818-E947 HydrophobicContact CD1-CB 3.66Å; Y818-E947 HydrophobicContact CD1-CG 4.22Å; Y818-E947 HydrophobicContact CD2-CB 3.93Å; Y818-E947 HydrophobicContact CD2-CG 3.78Å; Y818-E947 HydrophobicContact CE1-CB 3.93Å; Y818-E947 HydrophobicContact CE2-CB 4.21Å; Y818-E947 HydrophobicContact CE2-CG 4.42Å; Y818-E947 HydrophobicContact CG-CB 3.66Å; Y818-E947 HydrophobicContact CG-CG 3.69Å; Y818-R950 HydrophobicContact CE2-CB 4.33Å; Y818-R950 WeakPolarHBondContact OH-CG 3.34Å
819F96.3Very high93.8Very high131 Ų13158 Ų5858%0.57527%0.27SS*.Hα-helixtrans-61.1-47.5170179.2-86.8000111.6K815 Q817 R822 H823K815-F819 WeakPolarHBondContact O-CB 3.48Å; K815-F819 PolarHBondContact O-N 2.68Å; Q817-F819 VanDerWaalsContact C-N 3.31Å; Q817-F819 PolarHBondContact O-N 2.78Å; F819-R822 PolarHBondContact O-N 3.15Å; F819-H823 WeakPolarHBondContact O-CB 3.38Å; F819-H823 PolarHBondContact O-N 2.62Å
820L94.2Very high93.7Very high23 Ų2362 Ų6212%0.1229%0.288CS..Hα-helixtrans-62.6-44.5175.8178.458.6000111.5A631 L632 L635 D816 Q817 R822 H823 L824A631-L820 HydrophobicContact CB-CD1 3.88Å; A631-L820 HydrophobicContact CB-CD2 4.1Å; L632-L820 HydrophobicContact CD2-CD2 3.94Å; L632-L820 HydrophobicContact CG-CD2 4.26Å; L635-L820 HydrophobicContact CB-CD2 4.13Å; L635-L820 HydrophobicContact CD2-CB 4.13Å; L635-L820 HydrophobicContact CD2-CD2 3.75Å; D816-L820 PolarHBondContact O-N 3.38Å; Q817-L820 PolarHBondContact O-N 2.88Å; L820-R822 PolarHBondContact O-N 3.05Å; L820-H823 PolarHBondContact O-N 2.85Å; L820-L824 HydrophobicContact CD1-CD1 3.83Å; L820-L824 HydrophobicContact CD1-CD2 4.47Å; L820-L824 HydrophobicContact CD1-CG 3.9Å; L820-L824 HydrophobicContact CG-CD1 3.81Å; L820-L824 HydrophobicContact CG-CG 4.34Å; L820-L824 WeakPolarHBondContact O-CB 3.47Å; L820-L824 WeakPolarHBondContact O-CG 3.13Å; L820-L824 PolarHBondContact O-N 2.66Å
821Q93.3Very high93.4Very high73 Ų7361.5 Ų61.534%0.34128%0.283SS..Hα-helixtrans-60.1-43.7176.4-70.8174.710.100112.3Q817 Y818 L825 L943Q817-Q821 WeakPolarHBondContact O-CG 3.28Å; Q817-Q821 PolarHBondContact O-N 2.94Å; Y818-Q821 PolarHBondContact O-N 3.36Å; Q821-L825 WeakPolarHBondContact O-CB 3.41Å; Q821-L825 PolarHBondContact O-N 2.92Å; Q821-L943 HydrophobicContact CB-CD1 4.3Å; Q821-L943 HydrophobicContact CB-CD2 4.21Å
822R94.8Very high93Very high70 Ų7061.1 Ų61.126%0.26428%0.282SS..Hα-helixtrans-62-42.6174.4-73.6-172.9-54.1-94.2-1.6111.8Y818 F819 L820 L825 L826 L943 E947Y818-R822 WeakPolarHBondContact O-CB 3.49Å; Y818-R822 WeakPolarHBondContact O-CG 3.27Å; Y818-R822 PolarHBondContact O-N 2.84Å; F819-R822 PolarHBondContact O-N 3.15Å; L820-R822 PolarHBondContact O-N 3.05Å; R822-L825 PolarHBondContact O-N 3.09Å; R822-L826 VanDerWaalsContact O-CG 3.3Å; R822-L826 WeakPolarHBondContact O-CG 3.31Å; R822-L826 PolarHBondContact O-N 2.84Å; R822-L943 HydrophobicContact CB-CD2 4.4Å; R822-L943 HydrophobicContact CG-CD2 3.71Å; R822-L943 HydrophobicContact CG-CG 4.36Å; R822-E947 IonicContact CZ-OE1 2.73Å; R822-E947 IonicContact CZ-OE2 2.98Å; R822-E947 IonicContact NH1-OE1 3.75Å; R822-E947 PolarHBondContact NH1-OE1 3Å; R822-E947 IonicContact NH1-OE2 2.78Å; R822-E947 PolarHBondContact NH1-OE2 2.72Å
823H93.9Very high92.8Very high107 Ų10760.3 Ų60.350%0.49528%0.278SS..Hα-helixtrans-64.8-45.3179.6-178.166.2000112.2F819 L820 L826 K827F819-H823 WeakPolarHBondContact O-CB 3.38Å; F819-H823 PolarHBondContact O-N 2.62Å; L820-H823 PolarHBondContact O-N 2.85Å; H823-L826 PolarHBondContact O-N 2.69Å; H823-K827 PolarHBondContact O-N 2.89Å
824L90.8Very high92.5Very high19 Ų1963 Ų6310%0.09929%0.29CS..Hα-helixtrans-65.3-40.1175.7-67.7169.8000112E628 L820 L826 K827 K828E628-L824 HydrophobicContact CB-CD1 4.07Å; E628-L824 HydrophobicContact CB-CD2 4.11Å; E628-L824 HydrophobicContact CG-CD1 3.81Å; L820-L824 HydrophobicContact CD1-CD1 3.83Å; L820-L824 HydrophobicContact CD1-CD2 4.47Å; L820-L824 HydrophobicContact CD1-CG 3.9Å; L820-L824 HydrophobicContact CG-CD1 3.81Å; L820-L824 HydrophobicContact CG-CG 4.34Å; L820-L824 WeakPolarHBondContact O-CB 3.47Å; L820-L824 WeakPolarHBondContact O-CG 3.13Å; L820-L824 PolarHBondContact O-N 2.66Å; L824-L826 PolarHBondContact O-N 2.72Å; L824-K827 PolarHBondContact O-N 2.7Å; L824-K828 WeakPolarHBondContact O-CB 3.28Å; L824-K828 PolarHBondContact O-N 3.48Å
825L92.6Very high92.2Very high34 Ų3462.7 Ų62.718%0.17829%0.288CS..Hα-helixtrans-61.4-42.9175.3-175.764.9000111.6Q821 R822 K828 H829 K939 L943Q821-L825 WeakPolarHBondContact O-CB 3.41Å; Q821-L825 PolarHBondContact O-N 2.92Å; R822-L825 PolarHBondContact O-N 3.09Å; L825-K828 PolarHBondContact O-N 2.68Å; L825-H829 VanDerWaalsContact CD1-NE2 3.3Å; L825-H829 WeakPolarHBondContact CD1-NE2 3.5Å; L825-H829 WeakPolarHBondContact O-CB 3.39Å; L825-H829 PolarHBondContact O-CD2 3Å; L825-H829 PolarHBondContact O-N 2.66Å; L825-K939 HydrophobicContact CD1-CB 4.43Å; L825-K939 HydrophobicContact CD1-CD 4.41Å; L825-K939 HydrophobicContact CD2-CB 4.32Å; L825-L943 HydrophobicContact CB-CD2 4.49Å; L825-L943 HydrophobicContact CD2-CB 4.49Å; L825-L943 HydrophobicContact CD2-CD2 3.75Å
826L92.9Very high91.9Very high104 Ų10460.9 Ų60.955%0.54528%0.282SS..Hα-helixtrans-63.1-45.6174.8-72.7168.4000112R822 H823 L824 K828 H829 E830R822-L826 VanDerWaalsContact O-CG 3.3Å; R822-L826 WeakPolarHBondContact O-CG 3.31Å; R822-L826 PolarHBondContact O-N 2.84Å; H823-L826 PolarHBondContact O-N 2.69Å; L824-L826 PolarHBondContact O-N 2.72Å; L826-K828 VanDerWaalsContact C-N 3.25Å; L826-K828 PolarHBondContact O-N 2.7Å; L826-H829 PolarHBondContact O-N 2.67Å; L826-H829 VanDerWaalsContact O-N 3.09Å; L826-E830 PolarHBondContact O-N 2.7Å
827K90.7Very high91.6Very high57 Ų5764 Ų6425%0.24830%0.295CS..Hα-helixtrans-60.3-35.7175.6-163.5-178.6-169.6-1770112.2L624 E627 H823 L824 K831L624-K827 HydrophobicContact CD1-CD 4.05Å; L624-K827 HydrophobicContact CD1-CG 4.27Å; E627-K827 IonicContact OE1-NZ 3.86Å; E627-K827 PolarHBondContact OE1-NZ 2.88Å; E627-K827 IonicContact OE2-NZ 3.25Å; E627-K827 PolarHBondContact OE2-NZ 3.19Å; H823-K827 PolarHBondContact O-N 2.89Å; L824-K827 PolarHBondContact O-N 2.7Å; K827-K831 PolarHBondContact O-N 2.7Å
828K89.2Confident91.3Very high95 Ų9564 Ų6441%0.41330%0.303SS..Hα-helixtrans-70.5-39.5173.2-175.5172-178.7170.40112.3L624 L824 L825 L826 K831 E832L624-K828 HydrophobicContact CD2-CB 4.2Å; L824-K828 WeakPolarHBondContact O-CB 3.28Å; L824-K828 PolarHBondContact O-N 3.48Å; L825-K828 PolarHBondContact O-N 2.68Å; L826-K828 VanDerWaalsContact C-N 3.25Å; L826-K828 PolarHBondContact O-N 2.7Å; K828-K831 PolarHBondContact O-N 2.81Å; K828-E832 HydrophobicContact CG-CG 4.44Å; K828-E832 WeakPolarHBondContact O-CB 3.35Å; K828-E832 WeakPolarHBondContact O-CG 3.46Å; K828-E832 PolarHBondContact O-N 2.66Å
829H92.9Very high90.8Very high11 Ų1169 Ų695%0.05132%0.322CS..Hα-helixtrans-65-39.6177.4-71.5177.5000112.6L825 L826 E832 Q833 Q936 K939L825-H829 VanDerWaalsContact CD1-NE2 3.3Å; L825-H829 WeakPolarHBondContact CD1-NE2 3.5Å; L825-H829 WeakPolarHBondContact O-CB 3.39Å; L825-H829 PolarHBondContact O-CD2 3Å; L825-H829 PolarHBondContact O-N 2.66Å; L826-H829 PolarHBondContact O-N 2.67Å; L826-H829 VanDerWaalsContact O-N 3.09Å; H829-E832 IonicContact CD2-OE2 3.8Å; H829-E832 PolarHBondContact O-N 2.97Å; H829-Q833 WeakPolarHBondContact O-CB 3.31Å; H829-Q833 PolarHBondContact O-N 3.33Å; H829-Q936 VanDerWaalsContact CA-NE2 3.33Å; H829-Q936 HydrophobicContact CB-CG 4.16Å; H829-Q936 PolarHBondContact CE1-O 3.24Å; H829-Q936 VanDerWaalsContact CE1-O 3.23Å; H829-Q936 PolarHBondContact O-NE2 3.43Å; H829-K939 WeakPolarHBondContact NE2-CD 3.33Å
830E92.1Very high90.5Very high108 Ų10863 Ų6351%0.50530%0.297SS..Hα-helixtrans-56.2-49.7171-179.1176.6-12800111L826 Q833 E834L826-E830 PolarHBondContact O-N 2.7Å; E830-Q833 WeakPolarHBondContact O-CB 3.32Å; E830-Q833 PolarHBondContact O-N 2.95Å; E830-Q833 VanDerWaalsContact O-N 3.15Å; E830-E834 PolarHBondContact O-N 3.22Å
831K87.8Confident90.3Very high62 Ų6266.8 Ų66.827%0.2731%0.314SS..Hα-helixtrans-68-38.1177.5-66.1-66.8164.1-150.50114.1K827 K828 Q833 E834 Q835K827-K831 PolarHBondContact O-N 2.7Å; K828-K831 PolarHBondContact O-N 2.81Å; K831-Q833 PolarHBondContact O-N 3.14Å; K831-E834 WeakPolarHBondContact CD-OE2 3.49Å; K831-E834 IonicContact NZ-OE1 2.9Å; K831-E834 PolarHBondContact NZ-OE1 3.04Å; K831-E834 IonicContact NZ-OE2 2.7Å; K831-E834 PolarHBondContact NZ-OE2 3.31Å; K831-Q835 WeakPolarHBondContact O-CB 3.45Å; K831-Q835 VanDerWaalsContact O-CG 3.25Å; K831-Q835 WeakPolarHBondContact O-CG 3.43Å; K831-Q835 PolarHBondContact O-N 2.93Å; K831-Q835 VanDerWaalsContact O-N 3.08Å
832E87.9Confident90Very high39 Ų3966 Ų6618%0.18231%0.307CS..Hα-helixtrans-59.6-37.3170.3-75.3174.2-179.100111.3K828 H829 M836 L932 Q936 K939K828-E832 HydrophobicContact CG-CG 4.44Å; K828-E832 WeakPolarHBondContact O-CB 3.35Å; K828-E832 WeakPolarHBondContact O-CG 3.46Å; K828-E832 PolarHBondContact O-N 2.66Å; H829-E832 IonicContact CD2-OE2 3.8Å; H829-E832 PolarHBondContact O-N 2.97Å; E832-M836 WeakPolarHBondContact O-CB 3.45Å; E832-M836 PolarHBondContact O-N 3.32Å; E832-L932 HydrophobicContact CB-CD1 4.36Å; E832-L932 HydrophobicContact CB-CD2 4.44Å; E832-L932 WeakPolarHBondContact O-CD2 3.5Å; E832-Q936 PolarHBondContact OE2-NE2 2.94Å; E832-Q936 VanDerWaalsContact OE2-NE2 3.11Å; E832-K939 IonicContact OE1-NZ 3.62Å; E832-K939 PolarHBondContact OE1-NZ 3.44Å; E832-K939 IonicContact OE2-NZ 2.67Å; E832-K939 PolarHBondContact OE2-NZ 3.47Å
833Q90.7Very high89.5Confident74 Ų7465.6 Ų65.635%0.34631%0.309SS..Hα-helixtrans-73.4-43.9179.6-168.717918.300112.5H829 E830 K831 Q835 M836 Q837H829-Q833 WeakPolarHBondContact O-CB 3.31Å; H829-Q833 PolarHBondContact O-N 3.33Å; E830-Q833 WeakPolarHBondContact O-CB 3.32Å; E830-Q833 PolarHBondContact O-N 2.95Å; E830-Q833 VanDerWaalsContact O-N 3.15Å; K831-Q833 PolarHBondContact O-N 3.14Å; Q833-Q835 VanDerWaalsContact C-N 3.31Å; Q833-Q835 PolarHBondContact O-N 3.49Å; Q833-M836 PolarHBondContact O-N 3.49Å; Q833-Q837 WeakPolarHBondContact O-CG 3.46Å; Q833-Q837 PolarHBondContact O-N 2.91Å
834E89.7Confident89.3Confident76 Ų7661.5 Ų61.536%0.35529%0.291SS..Hα-helixtrans-56.1-44.8172-74.6176.5-163.700111.8E830 K831 Q837 S838E830-E834 PolarHBondContact O-N 3.22Å; K831-E834 WeakPolarHBondContact CD-OE2 3.49Å; K831-E834 IonicContact NZ-OE1 2.9Å; K831-E834 PolarHBondContact NZ-OE1 3.04Å; K831-E834 IonicContact NZ-OE2 2.7Å; K831-E834 PolarHBondContact NZ-OE2 3.31Å; E834-Q837 PolarHBondContact O-N 3.21Å; E834-S838 VanDerWaalsContact O-CB 3.31Å; E834-S838 WeakPolarHBondContact O-CB 3.33Å; E834-S838 PolarHBondContact O-N 3.46Å; E834-S838 PolarHBondContact O-OG 3.38Å
835Q86.7Confident89.3Confident37 Ų3765.4 Ų65.417%0.17331%0.309CS..Hα-helixtrans-63.6-44.2177.8-72.2175.56.300111.5E617 K831 Q833 S838 Y839E617-Q835 HydrophobicContact CG-CG 4.16Å; K831-Q835 WeakPolarHBondContact O-CB 3.45Å; K831-Q835 VanDerWaalsContact O-CG 3.25Å; K831-Q835 WeakPolarHBondContact O-CG 3.43Å; K831-Q835 PolarHBondContact O-N 2.93Å; K831-Q835 VanDerWaalsContact O-N 3.08Å; Q833-Q835 VanDerWaalsContact C-N 3.31Å; Q833-Q835 PolarHBondContact O-N 3.49Å; Q835-S838 PolarHBondContact O-N 2.9Å; Q835-Y839 WeakPolarHBondContact O-CB 3.29Å; Q835-Y839 PolarHBondContact O-N 3.44Å
836M89.1Confident88.9Confident51 Ų5167.1 Ų67.125%0.25132%0.317SS..Hα-helixtrans-64.3-41.5177.2-175.660.976.400112.7E832 Q833 Y839 N840 N928 I929 L932E832-M836 WeakPolarHBondContact O-CB 3.45Å; E832-M836 PolarHBondContact O-N 3.32Å; Q833-M836 PolarHBondContact O-N 3.49Å; M836-Y839 HydrophobicContact SD-CD1 4.45Å; M836-N840 WeakPolarHBondContact O-CB 3.49Å; M836-N840 VanDerWaalsContact O-CG 3.26Å; M836-N840 PolarHBondContact O-N 2.72Å; M836-N840 PolarHBondContact O-ND2 2.9Å; M836-N928 HydrophobicContact CE-CB 4.49Å; M836-N928 HydrophobicContact SD-CB 3.75Å; M836-I929 HydrophobicContact CG-CG1 4.16Å; M836-L932 HydrophobicContact CB-CD2 3.6Å; M836-L932 HydrophobicContact CE-CB 4.35Å; M836-L932 HydrophobicContact CE-CD2 4.29Å; M836-L932 HydrophobicContact CG-CD2 3.95Å
837Q89.9Confident88.8Confident96 Ų9663.1 Ų63.145%0.44930%0.296SS..Hα-helixtrans-62.6-46.2174-71.9176.110.800111.3Q833 E834 Y839 N840 Q841Q833-Q837 WeakPolarHBondContact O-CG 3.46Å; Q833-Q837 PolarHBondContact O-N 2.91Å; E834-Q837 PolarHBondContact O-N 3.21Å; Q837-Y839 PolarHBondContact O-N 2.88Å; Q837-N840 PolarHBondContact O-N 3.34Å; Q837-Q841 WeakPolarHBondContact O-CB 3.21Å; Q837-Q841 PolarHBondContact O-N 2.97Å
838S86.4Confident88.8Confident64 Ų6465.1 Ų65.145%0.44831%0.305SS..Hα-helixtrans-61.2-41.7178.4-59.60000112.5E834 Q835 R842E834-S838 VanDerWaalsContact O-CB 3.31Å; E834-S838 WeakPolarHBondContact O-CB 3.33Å; E834-S838 PolarHBondContact O-N 3.46Å; E834-S838 PolarHBondContact O-OG 3.38Å; Q835-S838 PolarHBondContact O-N 2.9Å; S838-R842 WeakPolarHBondContact O-CB 3.37Å; S838-R842 PolarHBondContact O-N 3.12Å; S838-R842 VanDerWaalsContact O-N 3.12Å
839Y84.8Confident88.7Confident118 Ų11864.7 Ų64.746%0.46331%0.307SS..Hα-helixtrans-63.8-50.9174.4171.8-101.9000112Q835 M836 Q837 Q841 R842 M843Q835-Y839 WeakPolarHBondContact O-CB 3.29Å; Q835-Y839 PolarHBondContact O-N 3.44Å; M836-Y839 HydrophobicContact SD-CD1 4.45Å; Q837-Y839 PolarHBondContact O-N 2.88Å; Y839-Q841 VanDerWaalsContact C-N 3.33Å; Y839-Q841 PolarHBondContact O-N 3.43Å; Y839-R842 WeakPolarHBondContact O-CB 3.23Å; Y839-R842 PolarHBondContact O-N 2.96Å; Y839-R842 VanDerWaalsContact O-N 3.16Å; Y839-M843 HydrophobicContact CE1-CG 4.08Å; Y839-M843 HydrophobicContact CE2-CG 4.06Å; Y839-M843 HydrophobicContact CE2-SD 4.28Å; Y839-M843 WeakPolarHBondContact O-CG 3.45Å; Y839-M843 PolarHBondContact O-N 2.65Å
840N90.8Very high88.4Confident6 Ų672 Ų723%0.03234%0.335CS..Hα-helixtrans-58.7-43.7178.9-78.8-17.7000112M836 Q837 R842 M843 I844 C925 N928M836-N840 WeakPolarHBondContact O-CB 3.49Å; M836-N840 VanDerWaalsContact O-CG 3.26Å; M836-N840 PolarHBondContact O-N 2.72Å; M836-N840 PolarHBondContact O-ND2 2.9Å; Q837-N840 PolarHBondContact O-N 3.34Å; N840-R842 PolarHBondContact O-N 3.28Å; N840-M843 PolarHBondContact O-N 3.33Å; N840-I844 WeakPolarHBondContact O-CG1 3.38Å; N840-I844 PolarHBondContact O-N 2.98Å; N840-C925 HydrophobicContact CB-CB 3.81Å; N840-C925 VanDerWaalsContact CB-SG 3.59Å; N840-C925 PolarHBondContact ND2-O 3.01Å; N840-C925 VanDerWaalsContact ND2-O 3.12Å; N840-N928 PolarHBondContact OD1-ND2 3.24Å
841Q90.5Very high88.4Confident102 Ų10267.4 Ų67.448%0.47731%0.313SS..Hα-helixtrans-60.1-44.5175.8177.861.717.500111.6Q837 Y839 M843 I844 E845Q837-Q841 WeakPolarHBondContact O-CB 3.21Å; Q837-Q841 PolarHBondContact O-N 2.97Å; Y839-Q841 VanDerWaalsContact C-N 3.33Å; Y839-Q841 PolarHBondContact O-N 3.43Å; Q841-M843 VanDerWaalsContact C-N 3.33Å; Q841-M843 PolarHBondContact O-N 3.13Å; Q841-I844 PolarHBondContact O-N 3.2Å; Q841-E845 WeakPolarHBondContact O-CB 3.38Å; Q841-E845 PolarHBondContact O-N 2.9Å
842R85.2Confident88.5Confident56 Ų5669.5 Ų69.521%0.21132%0.324CS..Hα-helixtrans-61.1-39.7175.9-165.8-178-57.5148.311112S838 Y839 N840 E845 L846S838-R842 WeakPolarHBondContact O-CB 3.37Å; S838-R842 PolarHBondContact O-N 3.12Å; S838-R842 VanDerWaalsContact O-N 3.12Å; Y839-R842 WeakPolarHBondContact O-CB 3.23Å; Y839-R842 PolarHBondContact O-N 2.96Å; Y839-R842 VanDerWaalsContact O-N 3.16Å; N840-R842 PolarHBondContact O-N 3.28Å; R842-E845 PolarHBondContact O-N 2.75Å; R842-L846 HydrophobicContact CG-CD1 4.34Å; R842-L846 WeakPolarHBondContact O-CB 3.32Å; R842-L846 VanDerWaalsContact O-CG 3.3Å; R842-L846 WeakPolarHBondContact O-CG 3.37Å; R842-L846 PolarHBondContact O-N 2.85Å
843M85.2Confident88.4Confident61 Ų6172.3 Ų72.330%0.334%0.337SS..Hα-helixtrans-65.7-41.1176.6-69.7-59.8-68.200112.7Y839 N840 Q841 E845 L846 L847 M921Y839-M843 HydrophobicContact CE1-CG 4.08Å; Y839-M843 HydrophobicContact CE2-CG 4.06Å; Y839-M843 HydrophobicContact CE2-SD 4.28Å; Y839-M843 WeakPolarHBondContact O-CG 3.45Å; Y839-M843 PolarHBondContact O-N 2.65Å; N840-M843 PolarHBondContact O-N 3.33Å; Q841-M843 VanDerWaalsContact C-N 3.33Å; Q841-M843 PolarHBondContact O-N 3.13Å; M843-E845 VanDerWaalsContact C-N 3.33Å; M843-E845 PolarHBondContact O-N 2.97Å; M843-L846 HydrophobicContact SD-CD1 4.28Å; M843-L847 PolarHBondContact O-N 2.73Å; M843-L847 VanDerWaalsContact O-N 3.13Å; M843-M921 HydrophobicContact CB-SD 4.17Å
844I90.3Very high88.3Confident22 Ų2271.4 Ų71.411%0.11333%0.333CS..Hα-helixtrans-62.4-40.7173-70.1167.5000110.9N840 Q841 L847 K848 L918 M921 M922N840-I844 WeakPolarHBondContact O-CG1 3.38Å; N840-I844 PolarHBondContact O-N 2.98Å; Q841-I844 PolarHBondContact O-N 3.2Å; I844-L847 PolarHBondContact O-N 3.49Å; I844-K848 HydrophobicContact CG2-CD 4.09Å; I844-K848 WeakPolarHBondContact O-CG 3.2Å; I844-K848 PolarHBondContact O-N 2.99Å; I844-L918 HydrophobicContact CG2-CD1 4.07Å; I844-M921 HydrophobicContact CG1-CG 3.98Å; I844-M922 HydrophobicContact CD1-CG 4.28Å
845E89.1Confident88.2Confident101 Ų10172.7 Ų72.747%0.47234%0.337SS..Hα-helixtrans-71-42.4179.9-175.7151.3-141.800113.2Q841 R842 M843 L847 K848 N849Q841-E845 WeakPolarHBondContact O-CB 3.38Å; Q841-E845 PolarHBondContact O-N 2.9Å; R842-E845 PolarHBondContact O-N 2.75Å; M843-E845 VanDerWaalsContact C-N 3.33Å; M843-E845 PolarHBondContact O-N 2.97Å; E845-L847 VanDerWaalsContact C-N 3.26Å; E845-L847 PolarHBondContact O-N 3.16Å; E845-K848 PolarHBondContact O-N 3.04Å; E845-N849 WeakPolarHBondContact O-CB 3.29Å; E845-N849 PolarHBondContact O-N 3.3Å; E845-N849 PolarHBondContact O-ND2 3.16Å
846L85.8Confident88.2Confident69 Ų6974.7 Ų74.736%0.36135%0.352SS..Hα-helixtrans-57.6-39171.5-74.3169.2000111.8R842 M843 R850R842-L846 HydrophobicContact CG-CD1 4.34Å; R842-L846 WeakPolarHBondContact O-CB 3.32Å; R842-L846 VanDerWaalsContact O-CG 3.3Å; R842-L846 WeakPolarHBondContact O-CG 3.37Å; R842-L846 PolarHBondContact O-N 2.85Å; M843-L846 HydrophobicContact SD-CD1 4.28Å; L846-R850 PolarHBondContact O-N 2.83Å
847L89.7Confident88.2Confident20 Ų2079.8 Ų79.811%0.10537%0.368CS..Hα-helixtrans-66.5-49.1173.6178.760.8000111.8M843 I844 E845 N849 R850 Q851 Q917 M921M843-L847 PolarHBondContact O-N 2.73Å; M843-L847 VanDerWaalsContact O-N 3.13Å; I844-L847 PolarHBondContact O-N 3.49Å; E845-L847 VanDerWaalsContact C-N 3.26Å; E845-L847 PolarHBondContact O-N 3.16Å; L847-N849 VanDerWaalsContact C-N 3.29Å; L847-N849 PolarHBondContact O-N 2.92Å; L847-R850 PolarHBondContact O-N 3.46Å; L847-Q851 HydrophobicContact CD1-CG 4.25Å; L847-Q851 WeakPolarHBondContact O-CG 3.48Å; L847-Q851 PolarHBondContact O-N 3.27Å; L847-Q917 HydrophobicContact CD1-CB 4.45Å; L847-Q917 HydrophobicContact CD2-CB 4.31Å; L847-Q917 WeakPolarHBondContact CD2-O 3.34Å; L847-M921 HydrophobicContact CD2-CB 3.62Å; L847-M921 HydrophobicContact CD2-CE 4.24Å; L847-M921 HydrophobicContact CD2-CG 3.96Å
848K90.9Very high87.9Confident100 Ų10077.1 Ų77.144%0.43536%0.356SS..Hα-helixtrans-55.4-43.8176.4-74.6168179.4171.20111.7I844 E845 Q851 Q852I844-K848 HydrophobicContact CG2-CD 4.09Å; I844-K848 WeakPolarHBondContact O-CG 3.2Å; I844-K848 PolarHBondContact O-N 2.99Å; E845-K848 PolarHBondContact O-N 3.04Å; K848-Q851 PolarHBondContact O-N 3.33Å; K848-Q852 WeakPolarHBondContact O-CB 3.35Å; K848-Q852 PolarHBondContact O-N 2.78Å
849N87.8Confident87.9Confident85 Ų8576.3 Ų76.346%0.45535%0.349SS..Hα-helixtrans-64.4-42.7178.2-75.8-32.9000112.2E845 L847 Q852 Q853E845-N849 WeakPolarHBondContact O-CB 3.29Å; E845-N849 PolarHBondContact O-N 3.3Å; E845-N849 PolarHBondContact O-ND2 3.16Å; L847-N849 VanDerWaalsContact C-N 3.29Å; L847-N849 PolarHBondContact O-N 2.92Å; N849-Q852 PolarHBondContact O-N 2.89Å; N849-Q853 WeakPolarHBondContact O-CG 3.37Å; N849-Q853 PolarHBondContact O-N 2.9Å
850R87.1Confident88.1Confident166 Ų16677.6 Ų77.663%0.62636%0.357SS*.Hα-helixtrans-59.5-47.1172-172.4-176.2-60.4-158.21111.7L846 L847 Q852 Q853 E854L846-R850 PolarHBondContact O-N 2.83Å; L847-R850 PolarHBondContact O-N 3.46Å; R850-Q852 VanDerWaalsContact C-N 3.28Å; R850-Q852 PolarHBondContact O-N 3.38Å; R850-Q853 PolarHBondContact O-N 3.49Å; R850-E854 PolarHBondContact O-N 3.07Å
851Q91.1Very high87.9Confident10 Ų1081.9 Ų81.95%0.04738%0.379CS..Hα-helixtrans-61.3-36.1178-68-176.3-3.400112.2L847 K848 E854 K855 H914L847-Q851 HydrophobicContact CD1-CG 4.25Å; L847-Q851 WeakPolarHBondContact O-CG 3.48Å; L847-Q851 PolarHBondContact O-N 3.27Å; K848-Q851 PolarHBondContact O-N 3.33Å; Q851-E854 PolarHBondContact O-N 3.4Å; Q851-K855 WeakPolarHBondContact O-CB 3.33Å; Q851-K855 VanDerWaalsContact O-CG 3.26Å; Q851-K855 WeakPolarHBondContact O-CG 3.01Å; Q851-K855 PolarHBondContact O-N 3.31Å; Q851-H914 HydrophobicContact CG-CB 4.17Å; Q851-H914 PolarHBondContact NE2-O 3.02Å; Q851-H914 PolarHBondContact O-CE1 2.88Å
852Q89.1Confident87.8Confident107 Ų10777.4 Ų77.450%0.536%0.358SS..Hα-helixtrans-71-37.1176.9-171.664.7-5.100112.8K848 N849 R850 E854 K855 T856K848-Q852 WeakPolarHBondContact O-CB 3.35Å; K848-Q852 PolarHBondContact O-N 2.78Å; N849-Q852 PolarHBondContact O-N 2.89Å; R850-Q852 VanDerWaalsContact C-N 3.28Å; R850-Q852 PolarHBondContact O-N 3.38Å; Q852-E854 VanDerWaalsContact C-N 3.34Å; Q852-K855 PolarHBondContact O-N 3.02Å; Q852-T856 WeakPolarHBondContact O-CG2 3.36Å; Q852-T856 PolarHBondContact O-N 3.37Å; Q852-T856 PolarHBondContact O-OG1 2.82Å
853Q87.3Confident87.8Confident98 Ų9882.4 Ų82.446%0.45838%0.377SS..Hα-helixtrans-63.5-39.3170.5-68.8-177.411.800111.9N849 R850 T856 R857N849-Q853 WeakPolarHBondContact O-CG 3.37Å; N849-Q853 PolarHBondContact O-N 2.9Å; R850-Q853 PolarHBondContact O-N 3.49Å; Q853-T856 PolarHBondContact O-OG1 2.84Å; Q853-T856 VanDerWaalsContact O-OG1 3.07Å; Q853-R857 WeakPolarHBondContact O-CB 3.3Å; Q853-R857 WeakPolarHBondContact O-CD 3.3Å; Q853-R857 WeakPolarHBondContact O-CG 3.14Å; Q853-R857 PolarHBondContact O-N 2.71Å; Q853-R857 VanDerWaalsContact O-N 3.1Å
854E87.6Confident88Confident55 Ų5584.1 Ų84.126%0.25739%0.388SS..Hα-helixtrans-65-47.8173.3-71177.6-163.200111.6R850 Q851 Q852 T856 R857 M858 Q910 H914R850-E854 PolarHBondContact O-N 3.07Å; Q851-E854 PolarHBondContact O-N 3.4Å; Q852-E854 VanDerWaalsContact C-N 3.34Å; E854-T856 VanDerWaalsContact C-N 3.28Å; E854-T856 PolarHBondContact O-N 2.78Å; E854-R857 PolarHBondContact O-N 3.09Å; E854-M858 WeakPolarHBondContact O-CB 3.31Å; E854-M858 VanDerWaalsContact O-CG 3.28Å; E854-M858 WeakPolarHBondContact O-CG 3.36Å; E854-M858 PolarHBondContact O-N 2.85Å; E854-Q910 PolarHBondContact OE2-NE2 3.42Å; E854-H914 IonicContact OE2-CD2 2.69Å; E854-H914 IonicContact OE2-CE1 3.15Å; E854-H914 IonicContact OE2-NE2 3.65Å; E854-H914 PolarHBondContact OE2-NE2 2.91Å
855K87.9Confident87.9Confident103 Ų10385.9 Ų85.945%0.44840%0.396SS..Hα-helixtrans-57.6-36.3178.1-76.6167.4-174.71700113.1Q851 Q852 P859 H914Q851-K855 WeakPolarHBondContact O-CB 3.33Å; Q851-K855 VanDerWaalsContact O-CG 3.26Å; Q851-K855 WeakPolarHBondContact O-CG 3.01Å; Q851-K855 PolarHBondContact O-N 3.31Å; Q852-K855 PolarHBondContact O-N 3.02Å; K855-P859 WeakPolarHBondContact O-CD 3.44Å; K855-H914 VanDerWaalsContact CE-ND1 3.29Å; K855-H914 WeakPolarHBondContact CE-ND1 3.48Å
856T86.9Confident88Confident79 Ų7981.9 Ų81.949%0.48538%0.379SS..Hα-helixtrans-81.5-30.4179.150.50000113.4Q852 Q853 E854Q852-T856 WeakPolarHBondContact O-CG2 3.36Å; Q852-T856 PolarHBondContact O-N 3.37Å; Q852-T856 PolarHBondContact O-OG1 2.82Å; Q853-T856 PolarHBondContact O-OG1 2.84Å; Q853-T856 VanDerWaalsContact O-OG1 3.07Å; E854-T856 VanDerWaalsContact C-N 3.28Å; E854-T856 PolarHBondContact O-N 2.78Å
857R88.1Confident88.2Confident157 Ų15785.2 Ų85.259%0.59239%0.391SS*.Hα-helixtrans-77.9-41.6176.5-70.7172.6-177.7-170.72.4112.8Q853 E854 K860 I861Q853-R857 WeakPolarHBondContact O-CB 3.3Å; Q853-R857 WeakPolarHBondContact O-CD 3.3Å; Q853-R857 WeakPolarHBondContact O-CG 3.14Å; Q853-R857 PolarHBondContact O-N 2.71Å; Q853-R857 VanDerWaalsContact O-N 3.1Å; E854-R857 PolarHBondContact O-N 3.09Å; R857-K860 WeakPolarHBondContact O-CB 3.48Å; R857-K860 PolarHBondContact O-N 2.86Å; R857-I861 PolarHBondContact O-N 3.3Å
858M85.4Confident88.3Confident41 Ų4188.6 Ų88.620%0.20241%0.412CS..Hα-helixtrans-53.6-44.8-173.1-80.1-64-72.100115.1E854 K860 I861 Q862 E906E854-M858 WeakPolarHBondContact O-CB 3.31Å; E854-M858 VanDerWaalsContact O-CG 3.28Å; E854-M858 WeakPolarHBondContact O-CG 3.36Å; E854-M858 PolarHBondContact O-N 2.85Å; M858-K860 VanDerWaalsContact C-N 3.27Å; M858-K860 PolarHBondContact O-N 3.31Å; M858-I861 PolarHBondContact O-N 2.98Å; M858-I861 VanDerWaalsContact O-N 3.16Å; M858-I861 HydrophobicContact SD-CD1 4.42Å; M858-Q862 PolarHBondContact O-N 2.77Å; M858-E906 HydrophobicContact CE-CG 4.28Å
859P86.2Confident88.3Confident46 Ų4688.9 Ų88.930%0.29941%0.411SS..Hα-helixtrans-63.5-28.2178.2-24.835.3000114.1K855 R863K855-P859 WeakPolarHBondContact O-CD 3.44Å; P859-R863 WeakPolarHBondContact O-CB 3.39Å; P859-R863 WeakPolarHBondContact O-CD 3.35Å; P859-R863 WeakPolarHBondContact O-CG 3.26Å; P859-R863 PolarHBondContact O-N 3.33Å
860K88.6Confident88.4Confident145 Ų14586.4 Ų86.463%0.6340%0.397SS*.Hα-helixtrans-71.9-42.4174.8-61.2-176-179.4-178.10110.3R857 M858 N864R857-K860 WeakPolarHBondContact O-CB 3.48Å; R857-K860 PolarHBondContact O-N 2.86Å; M858-K860 VanDerWaalsContact C-N 3.27Å; M858-K860 PolarHBondContact O-N 3.31Å; K860-N864 PolarHBondContact O-N 2.95Å
861I86.8Confident88.6Confident96 Ų9683 Ų8349%0.49240%0.395SS..Hα-helixtrans-62.8-52.9176.3-60.8169000110.4R857 M858 R863 N864 E865R857-I861 PolarHBondContact O-N 3.3Å; M858-I861 PolarHBondContact O-N 2.98Å; M858-I861 VanDerWaalsContact O-N 3.16Å; M858-I861 HydrophobicContact SD-CD1 4.42Å; I861-R863 VanDerWaalsContact C-N 3.3Å; I861-R863 PolarHBondContact O-N 3.34Å; I861-N864 PolarHBondContact O-N 3.36Å; I861-N864 VanDerWaalsContact O-N 3.08Å; I861-E865 PolarHBondContact O-N 3.04Å
862Q87.6Confident88.4Confident8 Ų888.5 Ų88.54%0.03742%0.422CS..Hα-helixtrans-56.2-40179.6-76.1-171.6-3400113.2M858 A866 Q903 E906M858-Q862 PolarHBondContact O-N 2.77Å; Q862-A866 VanDerWaalsContact O-CB 3.23Å; Q862-A866 WeakPolarHBondContact O-CB 3.35Å; Q862-A866 PolarHBondContact O-N 2.79Å; Q862-Q903 HydrophobicContact CB-CG 4.19Å; Q862-Q903 HydrophobicContact CG-CG 4.38Å; Q862-Q903 PolarHBondContact NE2-O 2.74Å; Q862-Q903 VanDerWaalsContact NE2-O 3.11Å; Q862-Q903 PolarHBondContact O-NE2 3.41Å; Q862-E906 PolarHBondContact NE2-OE2 3.11Å
863R86.4Confident88.5Confident162 Ų16285.9 Ų85.961%0.61141%0.409SS*.Hα-helixtrans-65.6-42176.2-75.1169-175.3159.80.6112.3P859 I861 K867P859-R863 WeakPolarHBondContact O-CB 3.39Å; P859-R863 WeakPolarHBondContact O-CD 3.35Å; P859-R863 WeakPolarHBondContact O-CG 3.26Å; P859-R863 PolarHBondContact O-N 3.33Å; I861-R863 VanDerWaalsContact C-N 3.3Å; I861-R863 PolarHBondContact O-N 3.34Å; R863-K867 WeakPolarHBondContact O-CG 3.49Å; R863-K867 PolarHBondContact O-N 2.63Å; R863-K867 VanDerWaalsContact O-N 3.12Å
864N88.5Confident88.5Confident97 Ų9786.2 Ų86.252%0.51941%0.409SS..Hα-helixtrans-71.4-42.9180-72.1-7.3000111.3K860 I861 A866 K867 T868K860-N864 PolarHBondContact O-N 2.95Å; I861-N864 PolarHBondContact O-N 3.36Å; I861-N864 VanDerWaalsContact O-N 3.08Å; N864-A866 PolarHBondContact O-N 3.23Å; N864-K867 WeakPolarHBondContact O-CB 3.13Å; N864-K867 PolarHBondContact O-N 3Å; N864-T868 PolarHBondContact O-N 3.4Å; N864-T868 VanDerWaalsContact O-N 3.1Å; N864-T868 PolarHBondContact O-OG1 3.29Å
865E89.1Confident88.5Confident59 Ų5990.1 Ų90.128%0.27643%0.425SS..Hα-helixtrans-61.5-43.6175.6-160.4-160173.900111.6I861 K867 T868 R869 R902I861-E865 PolarHBondContact O-N 3.04Å; E865-K867 PolarHBondContact O-N 3.15Å; E865-T868 PolarHBondContact O-N 3.5Å; E865-T868 VanDerWaalsContact O-N 3.14Å; E865-R869 WeakPolarHBondContact O-CB 3.33Å; E865-R869 WeakPolarHBondContact O-CG 3.48Å; E865-R869 PolarHBondContact O-N 3.07Å; E865-R869 IonicContact OE1-CZ 2.7Å; E865-R869 IonicContact OE1-NE 3.5Å; E865-R869 PolarHBondContact OE1-NE 3.45Å; E865-R869 IonicContact OE1-NH2 3.57Å; E865-R869 PolarHBondContact OE1-NH2 2.98Å; E865-R902 VanDerWaalsContact CD-NH2 3.27Å; E865-R902 IonicContact OE1-CZ 3.52Å; E865-R902 IonicContact OE1-NH1 2.81Å; E865-R902 IonicContact OE1-NH2 3.63Å; E865-R902 IonicContact OE2-CZ 2.76Å; E865-R902 VanDerWaalsContact OE2-CZ 3.26Å; E865-R902 IonicContact OE2-NH1 3.8Å; E865-R902 PolarHBondContact OE2-NH1 3.29Å; E865-R902 IonicContact OE2-NH2 3.61Å; E865-R902 PolarHBondContact OE2-NH2 2.9Å
866A89.3Confident88.4Confident16 Ų1688.1 Ų88.113%0.13242%0.424CS..Hα-helixtrans-64.2-36.4176.800000113.1Q862 N864 M870 E899 Q903Q862-A866 VanDerWaalsContact O-CB 3.23Å; Q862-A866 WeakPolarHBondContact O-CB 3.35Å; Q862-A866 PolarHBondContact O-N 2.79Å; N864-A866 PolarHBondContact O-N 3.23Å; A866-M870 WeakPolarHBondContact O-CB 3.29Å; A866-M870 PolarHBondContact O-N 3.47Å; A866-E899 WeakPolarHBondContact CA-OE1 3.25Å; A866-E899 HydrophobicContact CB-CG 3.79Å; A866-E899 WeakPolarHBondContact CB-OE1 3.49Å; A866-Q903 VanDerWaalsContact CB-NE2 3.32Å
867K90.9Very high88.2Confident140 Ų14085.7 Ų85.761%0.60941%0.408SS*.Hα-helixtrans-59.7-45.4170.7-75.8172.8177.6-178.20111.1R863 N864 E865 T871R863-K867 WeakPolarHBondContact O-CG 3.49Å; R863-K867 PolarHBondContact O-N 2.63Å; R863-K867 VanDerWaalsContact O-N 3.12Å; N864-K867 WeakPolarHBondContact O-CB 3.13Å; N864-K867 PolarHBondContact O-N 3Å; E865-K867 PolarHBondContact O-N 3.15Å; K867-T871 WeakPolarHBondContact O-CB 3.45Å; K867-T871 PolarHBondContact O-N 2.79Å; K867-T871 PolarHBondContact O-OG1 3.48Å
868T90.9Very high87.7Confident90 Ų9088.9 Ų88.955%0.55242%0.42SS*.Hα-helixtrans-65.3-48.6178.2-570000111.4N864 E865 M870 T871 M872N864-T868 PolarHBondContact O-N 3.4Å; N864-T868 VanDerWaalsContact O-N 3.1Å; N864-T868 PolarHBondContact O-OG1 3.29Å; E865-T868 PolarHBondContact O-N 3.5Å; E865-T868 VanDerWaalsContact O-N 3.14Å; T868-M870 PolarHBondContact O-N 2.92Å; T868-T871 PolarHBondContact O-N 2.86Å; T868-T871 VanDerWaalsContact O-N 3.16Å; T868-M872 WeakPolarHBondContact O-CG 3.38Å; T868-M872 PolarHBondContact O-N 3.23Å
869R90.6Very high87.4Confident106 Ų10692.7 Ų92.740%0.444%0.44SS..Hα-helixtrans-59.1-45.7176.9-74.6176.5178.3-105.23.1112.1E865 T871 M872 F873 F895 E899E865-R869 WeakPolarHBondContact O-CB 3.33Å; E865-R869 WeakPolarHBondContact O-CG 3.48Å; E865-R869 PolarHBondContact O-N 3.07Å; E865-R869 IonicContact OE1-CZ 2.7Å; E865-R869 IonicContact OE1-NE 3.5Å; E865-R869 PolarHBondContact OE1-NE 3.45Å; E865-R869 IonicContact OE1-NH2 3.57Å; E865-R869 PolarHBondContact OE1-NH2 2.98Å; R869-T871 VanDerWaalsContact C-N 3.34Å; R869-T871 PolarHBondContact O-N 2.87Å; R869-M872 PolarHBondContact O-N 3.39Å; R869-F873 WeakPolarHBondContact O-CB 3.46Å; R869-F873 PolarHBondContact O-N 3.08Å; R869-F895 HydrophobicContact CB-CE1 4.48Å; R869-F895 HydrophobicContact CB-CZ 4.26Å; R869-E899 WeakPolarHBondContact CD-OE1 3.37Å
870M90.9Very high86.7Confident34 Ų3496.1 Ų96.117%0.16746%0.456CS..Hα-helixtrans-62-38.4174.9178.860.370.400112.4A866 T868 K874 V892 F895A866-M870 WeakPolarHBondContact O-CB 3.29Å; A866-M870 PolarHBondContact O-N 3.47Å; T868-M870 PolarHBondContact O-N 2.92Å; M870-K874 HydrophobicContact CG-CD 4.35Å; M870-K874 WeakPolarHBondContact O-CB 3.44Å; M870-K874 WeakPolarHBondContact O-CG 3.25Å; M870-K874 PolarHBondContact O-N 3.09Å; M870-K874 HydrophobicContact SD-CD 4.31Å; M870-K874 HydrophobicContact SD-CG 4.32Å; M870-V892 HydrophobicContact CE-CG1 4.45Å; M870-V892 HydrophobicContact SD-CG1 3.96Å; M870-F895 HydrophobicContact CE-CD1 3.8Å; M870-F895 HydrophobicContact CE-CE1 4.4Å; M870-F895 HydrophobicContact SD-CD1 4.23Å
871T90.8Very high85.7Confident94 Ų9491.7 Ų91.758%0.57744%0.443SS*.Hα-helixtrans-68.2-43.2176.9-56.60000111.3K867 T868 R869 K874 K875K867-T871 WeakPolarHBondContact O-CB 3.45Å; K867-T871 PolarHBondContact O-N 2.79Å; K867-T871 PolarHBondContact O-OG1 3.48Å; T868-T871 PolarHBondContact O-N 2.86Å; T868-T871 VanDerWaalsContact O-N 3.16Å; R869-T871 VanDerWaalsContact C-N 3.34Å; R869-T871 PolarHBondContact O-N 2.87Å; T871-K874 PolarHBondContact O-N 3.31Å; T871-K875 WeakPolarHBondContact O-CB 3.4Å; T871-K875 PolarHBondContact O-N 3.49Å
872M87.8Confident84.6Confident125 Ų12594 Ų9462%0.61646%0.462SS*.Hα-helixtrans-64.2-41174.4-69-68.3-81.900112T868 R869 K875 S876T868-M872 WeakPolarHBondContact O-CG 3.38Å; T868-M872 PolarHBondContact O-N 3.23Å; R869-M872 PolarHBondContact O-N 3.39Å; M872-K875 PolarHBondContact O-N 2.67Å; M872-S876 WeakPolarHBondContact O-CB 3.45Å; M872-S876 PolarHBondContact O-N 3.28Å
873F90.1Very high83.5Confident53 Ų5395.1 Ų95.123%0.23248%0.476CS..Hα-helixtrans-63.7-45.5175.9-175.1-106.1000112R869 K875 S876 L877 V892 F895R869-F873 WeakPolarHBondContact O-CB 3.46Å; R869-F873 PolarHBondContact O-N 3.08Å; F873-K875 VanDerWaalsContact C-N 3.3Å; F873-K875 PolarHBondContact O-N 2.69Å; F873-S876 WeakPolarHBondContact O-CB 3.32Å; F873-S876 PolarHBondContact O-N 3.07Å; F873-L877 HydrophobicContact CD1-CD1 3.97Å; F873-L877 HydrophobicContact CD1-CG 4.49Å; F873-L877 HydrophobicContact CE1-CD1 3.52Å; F873-L877 HydrophobicContact CE1-CG 4.13Å; F873-L877 HydrophobicContact CZ-CD1 4.05Å; F873-L877 HydrophobicContact CZ-CD2 4.44Å; F873-L877 HydrophobicContact CZ-CG 4.26Å; F873-L877 PolarHBondContact O-N 3.34Å; F873-V892 HydrophobicContact CD1-CG2 4.42Å; F873-V892 HydrophobicContact CE1-CG2 4.23Å; F873-F895 HydrophobicContact CB-CD1 4.03Å; F873-F895 HydrophobicContact CB-CD2 4.34Å; F873-F895 HydrophobicContact CB-CE1 3.77Å; F873-F895 HydrophobicContact CB-CE2 4.08Å; F873-F895 HydrophobicContact CB-CG 4.31Å; F873-F895 HydrophobicContact CB-CZ 3.79Å; F873-F895 HydrophobicContact CD1-CB 3.76Å; F873-F895 AromaticContact CD1-CD1 3.78Å; F873-F895 HydrophobicContact CD1-CD1 3.78Å; F873-F895 HydrophobicContact CD1-CD2 4.02Å; F873-F895 HydrophobicContact CD1-CE1 4.4Å; F873-F895 AromaticContact CD1-CG 3.56Å; F873-F895 HydrophobicContact CD1-CG 3.56Å; F873-F895 AromaticContact CD2-CD2 3.52Å; F873-F895 HydrophobicContact CD2-CD2 3.52Å; F873-F895 AromaticContact CD2-CE2 3.7Å; F873-F895 HydrophobicContact CD2-CE2 3.7Å; F873-F895 AromaticContact CD2-CG 3.97Å; F873-F895 HydrophobicContact CD2-CG 3.97Å; F873-F895 HydrophobicContact CD2-CZ 4.3Å; F873-F895 HydrophobicContact CE1-CB 3.46Å; F873-F895 VanDerWaalsContact CE1-CB 3.46Å; F873-F895 HydrophobicContact CE1-CD1 4.39Å; F873-F895 HydrophobicContact CE1-CD2 4.18Å; F873-F895 AromaticContact CE1-CG 3.76Å; F873-F895 HydrophobicContact CE1-CG 3.76Å; F873-F895 HydrophobicContact CE2-CB 4.36Å; F873-F895 AromaticContact CE2-CD2 3.71Å; F873-F895 HydrophobicContact CE2-CD2 3.71Å; F873-F895 HydrophobicContact CE2-CE2 4.29Å; F873-F895 HydrophobicContact CE2-CG 4.16Å; F873-F895 HydrophobicContact CG-CB 4.33Å; F873-F895 AromaticContact CG-CD1 3.86Å; F873-F895 HydrophobicContact CG-CD1 3.86Å; F873-F895 AromaticContact CG-CD2 3.69Å; F873-F895 HydrophobicContact CG-CD2 3.69Å; F873-F895 HydrophobicContact CG-CE1 4.06Å; F873-F895 AromaticContact CG-CE2 3.88Å; F873-F895 HydrophobicContact CG-CE2 3.88Å; F873-F895 AromaticContact CG-CG 3.68Å; F873-F895 HydrophobicContact CG-CG 3.68Å; F873-F895 HydrophobicContact CG-CZ 4.06Å; F873-F895 HydrophobicContact CZ-CB 3.8Å; F873-F895 HydrophobicContact CZ-CD2 4.03Å; F873-F895 HydrophobicContact CZ-CG 4.06Å
874K87.8Confident83Confident104 Ų10490.1 Ų90.145%0.45247%0.466SS..Hα-helixtrans-61.8-34.8173-75.1175.9177.3-178.50112.7M870 T871 R878 V892M870-K874 HydrophobicContact CG-CD 4.35Å; M870-K874 WeakPolarHBondContact O-CB 3.44Å; M870-K874 WeakPolarHBondContact O-CG 3.25Å; M870-K874 PolarHBondContact O-N 3.09Å; M870-K874 HydrophobicContact SD-CD 4.31Å; M870-K874 HydrophobicContact SD-CG 4.32Å; T871-K874 PolarHBondContact O-N 3.31Å; K874-R878 WeakPolarHBondContact O-CG 3.39Å; K874-R878 PolarHBondContact O-N 2.91Å; K874-V892 HydrophobicContact CG-CG2 4.27Å
875K86.9Confident82.3Confident137 Ų13789 Ų8960%0.59647%0.47SS*.Hα-helixtrans-68.6-41.1173.4-170.8176.9179.7-178.80111.6T871 M872 F873 R878 I879T871-K875 WeakPolarHBondContact O-CB 3.4Å; T871-K875 PolarHBondContact O-N 3.49Å; M872-K875 PolarHBondContact O-N 2.67Å; F873-K875 VanDerWaalsContact C-N 3.3Å; F873-K875 PolarHBondContact O-N 2.69Å; K875-R878 PolarHBondContact O-N 3.31Å; K875-I879 HydrophobicContact CG-CD1 4.35Å; K875-I879 WeakPolarHBondContact O-CG1 3.49Å; K875-I879 PolarHBondContact O-N 3.39Å
876S86Confident81.9Confident62 Ų6289.5 Ų89.543%0.43448%0.48SS..Hα-helixtrans-62.5-46.8175.9-172.30000112.1M872 F873 R878 I879 N880M872-S876 WeakPolarHBondContact O-CB 3.45Å; M872-S876 PolarHBondContact O-N 3.28Å; F873-S876 WeakPolarHBondContact O-CB 3.32Å; F873-S876 PolarHBondContact O-N 3.07Å; S876-R878 VanDerWaalsContact C-N 3.3Å; S876-R878 PolarHBondContact O-N 2.91Å; S876-I879 PolarHBondContact O-N 3.4Å; S876-N880 PolarHBondContact O-N 2.9Å
877L83.5Confident81.4Confident28 Ų2893.7 Ų93.715%0.14750%0.497CS..Hα-helixtrans-57.1-41.1174.3-75.4175000112.2F873 I879 N880 S881 K891 V892F873-L877 HydrophobicContact CD1-CD1 3.97Å; F873-L877 HydrophobicContact CD1-CG 4.49Å; F873-L877 HydrophobicContact CE1-CD1 3.52Å; F873-L877 HydrophobicContact CE1-CG 4.13Å; F873-L877 HydrophobicContact CZ-CD1 4.05Å; F873-L877 HydrophobicContact CZ-CD2 4.44Å; F873-L877 HydrophobicContact CZ-CG 4.26Å; F873-L877 PolarHBondContact O-N 3.34Å; L877-I879 PolarHBondContact O-N 3.15Å; L877-N880 PolarHBondContact O-N 3.08Å; L877-S881 WeakPolarHBondContact O-CA 3.4Å; L877-S881 WeakPolarHBondContact O-CB 3.29Å; L877-S881 PolarHBondContact O-N 3.44Å; L877-K891 HydrophobicContact CD1-CB 4.44Å; L877-K891 HydrophobicContact CD2-CD 3.93Å; L877-V892 HydrophobicContact CD1-CG2 3.62Å
878R78.4Confident80.9Confident223 Ų22388.5 Ų88.584%0.84248%0.476SS*.Hα-helixtrans-63.5-19.6177-76.1177.6178.6-168.3-0.9114.8K874 K875 S876K874-R878 WeakPolarHBondContact O-CG 3.39Å; K874-R878 PolarHBondContact O-N 2.91Å; K875-R878 PolarHBondContact O-N 3.31Å; S876-R878 VanDerWaalsContact C-N 3.3Å; S876-R878 PolarHBondContact O-N 2.91Å
879I77.6Confident80.5Confident122 Ų12292 Ų9263%0.62648%0.479SS*.Hα-helixtrans-97.3-36.3-179-59164.3000110.4K875 S876 L877K875-I879 HydrophobicContact CG-CD1 4.35Å; K875-I879 WeakPolarHBondContact O-CG1 3.49Å; K875-I879 PolarHBondContact O-N 3.39Å; S876-I879 PolarHBondContact O-N 3.4Å; L877-I879 PolarHBondContact O-N 3.15Å
880N72.2Confident80.2Confident118 Ų11890.9 Ų90.963%0.63148%0.478SS*.Hα-helixtrans-115.921.2-172.4-66.43.9000114.1S876 L877 T882S876-N880 PolarHBondContact O-N 2.9Å; L877-N880 PolarHBondContact O-N 3.08Å; N880-T882 PolarHBondContact O-N 3.41Å
881S67.2Low80Confident52 Ų5292.4 Ų92.436%0.36448%0.484SS..  trans-72.5128.1179.7-170.30000112L877 D888L877-S881 WeakPolarHBondContact O-CA 3.4Å; L877-S881 WeakPolarHBondContact O-CB 3.29Å; L877-S881 PolarHBondContact O-N 3.44Å; S881-D888 VanDerWaalsContact CB-OD2 3.31Å; S881-D888 WeakPolarHBondContact CB-OD2 3.34Å; S881-D888 PolarHBondContact OG-OD1 2.91Å; S881-D888 PolarHBondContact OG-OD2 3.27Å
882T63.8Low79.8Confident143 Ų14389.6 Ų89.688%0.87747%0.466SS*.  trans-12212.517753.70000112.1N880N880-T882 PolarHBondContact O-N 3.41Å
883G65.3Low79.9Confident33 Ų3389.6 Ų89.634%0.3446%0.463SS..SBendtrans-132.6178.7-172.500000113.9
884S75Confident79.8Confident57 Ų5792.9 Ų92.940%0.39948%0.479SS..  trans-69.8156.8177.469.70000112.7S886 E887 D888S884-S886 PolarHBondContact O-N 3.18Å; S884-S886 PolarHBondContact OG-N 3.09Å; S884-E887 WeakPolarHBondContact CB-OE2 3.49Å; S884-E887 PolarHBondContact N-OE2 2.99Å; S884-E887 PolarHBondContact O-N 2.9Å; S884-E887 WeakPolarHBondContact OG-CG 3.44Å; S884-E887 PolarHBondContact OG-N 3.4Å; S884-E887 PolarHBondContact OG-OE2 3.44Å; S884-D888 PolarHBondContact O-N 3.26Å; S884-D888 VanDerWaalsContact O-N 3.09Å
885A75.1Confident80Confident72 Ų7289.7 Ų89.760%0.59547%0.465SS*.Hα-helixtrans-60.8-12.7172.700000114R889A885-R889 WeakPolarHBondContact O-CG 3.3Å; A885-R889 VanDerWaalsContact O-CZ 3.25Å; A885-R889 PolarHBondContact O-NE 3.28Å
886S78.9Confident80.1Confident71 Ų7185.5 Ų85.550%0.49745%0.453SS..Hα-helixtrans-82.5-44.7169.7-114.50000112.3S884 D888 R889 E890S884-S886 PolarHBondContact O-N 3.18Å; S884-S886 PolarHBondContact OG-N 3.09Å; S886-D888 VanDerWaalsContact C-N 3.31Å; S886-D888 PolarHBondContact O-N 3.09Å; S886-R889 WeakPolarHBondContact O-CB 3.31Å; S886-R889 PolarHBondContact O-N 2.78Å; S886-R889 VanDerWaalsContact O-N 3.16Å; S886-R889 PolarHBondContact OG-NH2 2.64Å; S886-E890 PolarHBondContact O-N 3.36Å
887E79.8Confident80.3Confident103 Ų10388.3 Ų88.348%0.48146%0.463SS..Hα-helixtrans-64-37.7178.3-68.6158.4133.600111.4S884 R889 E890 K891S884-E887 WeakPolarHBondContact CB-OE2 3.49Å; S884-E887 PolarHBondContact N-OE2 2.99Å; S884-E887 PolarHBondContact O-N 2.9Å; S884-E887 WeakPolarHBondContact OG-CG 3.44Å; S884-E887 PolarHBondContact OG-N 3.4Å; S884-E887 PolarHBondContact OG-OE2 3.44Å; E887-R889 VanDerWaalsContact C-N 3.31Å; E887-R889 PolarHBondContact O-N 3.21Å; E887-E890 PolarHBondContact O-N 2.9Å; E887-K891 VanDerWaalsContact O-CG 3.26Å; E887-K891 WeakPolarHBondContact O-CG 3.33Å; E887-K891 PolarHBondContact O-N 2.69Å
888D79.4Confident80.6Confident32 Ų3293.3 Ų93.317%0.17149%0.486CS..Hα-helixtrans-67.7-29.7175.5-78.7-1.5000113.2S881 S884 S886 K891 V892S881-D888 VanDerWaalsContact CB-OD2 3.31Å; S881-D888 WeakPolarHBondContact CB-OD2 3.34Å; S881-D888 PolarHBondContact OG-OD1 2.91Å; S881-D888 PolarHBondContact OG-OD2 3.27Å; S884-D888 PolarHBondContact O-N 3.26Å; S884-D888 VanDerWaalsContact O-N 3.09Å; S886-D888 VanDerWaalsContact C-N 3.31Å; S886-D888 PolarHBondContact O-N 3.09Å; D888-K891 WeakPolarHBondContact OD1-CD 3.46Å; D888-K891 WeakPolarHBondContact OD1-CE 3.36Å; D888-K891 IonicContact OD1-NZ 2.65Å; D888-K891 PolarHBondContact OD1-NZ 3.12Å; D888-V892 WeakPolarHBondContact O-CG2 3.33Å; D888-V892 PolarHBondContact O-N 2.97Å; D888-V892 VanDerWaalsContact O-N 3.1Å
889R83.1Confident81.2Confident164 Ų16483.5 Ų83.562%0.61945%0.449SS*.Hα-helixtrans-67.7-41.5169.5-73.8-179.6-65.3-130.9-0.1111.2A885 S886 E887 V892 K893A885-R889 WeakPolarHBondContact O-CG 3.3Å; A885-R889 VanDerWaalsContact O-CZ 3.25Å; A885-R889 PolarHBondContact O-NE 3.28Å; S886-R889 WeakPolarHBondContact O-CB 3.31Å; S886-R889 PolarHBondContact O-N 2.78Å; S886-R889 VanDerWaalsContact O-N 3.16Å; S886-R889 PolarHBondContact OG-NH2 2.64Å; E887-R889 VanDerWaalsContact C-N 3.31Å; E887-R889 PolarHBondContact O-N 3.21Å; R889-V892 PolarHBondContact O-N 3.29Å; R889-K893 WeakPolarHBondContact O-CB 3.32Å; R889-K893 PolarHBondContact O-N 3.39Å
890E84.9Confident81.7Confident81 Ų8183.1 Ų83.138%0.37945%0.445SS..Hα-helixtrans-68.1-39.4177.8-157.660-141.600111.6S886 E887 V892 K893 Q894S886-E890 PolarHBondContact O-N 3.36Å; E887-E890 PolarHBondContact O-N 2.9Å; E890-V892 PolarHBondContact O-N 3.48Å; E890-K893 VanDerWaalsContact CD-NZ 3.27Å; E890-K893 WeakPolarHBondContact O-CB 3.4Å; E890-K893 PolarHBondContact O-N 3.34Å; E890-K893 WeakPolarHBondContact OE1-CD 3.39Å; E890-K893 WeakPolarHBondContact OE1-CE 3.49Å; E890-K893 IonicContact OE1-NZ 2.7Å; E890-K893 PolarHBondContact OE1-NZ 2.72Å; E890-K893 IonicContact OE2-NZ 3Å; E890-K893 PolarHBondContact OE2-NZ 2.75Å; E890-Q894 WeakPolarHBondContact O-CG 3.45Å; E890-Q894 PolarHBondContact O-N 3.42Å
891K86.1Confident82.7Confident66 Ų6685.3 Ų85.329%0.28745%0.449SS..Hα-helixtrans-59-44.3171.7-68.8167.4-153.7164.70112.1L877 E887 D888 K893 Q894 F895L877-K891 HydrophobicContact CD1-CB 4.44Å; L877-K891 HydrophobicContact CD2-CD 3.93Å; E887-K891 VanDerWaalsContact O-CG 3.26Å; E887-K891 WeakPolarHBondContact O-CG 3.33Å; E887-K891 PolarHBondContact O-N 2.69Å; D888-K891 WeakPolarHBondContact OD1-CD 3.46Å; D888-K891 WeakPolarHBondContact OD1-CE 3.36Å; D888-K891 IonicContact OD1-NZ 2.65Å; D888-K891 PolarHBondContact OD1-NZ 3.12Å; K891-K893 VanDerWaalsContact C-N 3.34Å; K891-K893 PolarHBondContact O-N 2.98Å; K891-Q894 PolarHBondContact O-N 3.16Å; K891-F895 WeakPolarHBondContact O-CB 3.41Å; K891-F895 PolarHBondContact O-N 2.91Å
892V87.3Confident83.8Confident35 Ų3585.8 Ų85.821%0.21244%0.442CS..Hα-helixtrans-63.6-38.5175.7167.20000111.9M870 F873 K874 L877 D888 R889 E890 S896M870-V892 HydrophobicContact CE-CG1 4.45Å; M870-V892 HydrophobicContact SD-CG1 3.96Å; F873-V892 HydrophobicContact CD1-CG2 4.42Å; F873-V892 HydrophobicContact CE1-CG2 4.23Å; K874-V892 HydrophobicContact CG-CG2 4.27Å; L877-V892 HydrophobicContact CD1-CG2 3.62Å; D888-V892 WeakPolarHBondContact O-CG2 3.33Å; D888-V892 PolarHBondContact O-N 2.97Å; D888-V892 VanDerWaalsContact O-N 3.1Å; R889-V892 PolarHBondContact O-N 3.29Å; E890-V892 PolarHBondContact O-N 3.48Å; V892-S896 WeakPolarHBondContact O-CB 3.39Å; V892-S896 PolarHBondContact O-N 2.99Å
893K89.9Confident85Confident125 Ų12580.5 Ų80.554%0.54341%0.408SS..Hα-helixtrans-67.3-43.6176.2177.5178.4159.2-1440111.8R889 E890 K891 S896 L897R889-K893 WeakPolarHBondContact O-CB 3.32Å; R889-K893 PolarHBondContact O-N 3.39Å; E890-K893 VanDerWaalsContact CD-NZ 3.27Å; E890-K893 WeakPolarHBondContact O-CB 3.4Å; E890-K893 PolarHBondContact O-N 3.34Å; E890-K893 WeakPolarHBondContact OE1-CD 3.39Å; E890-K893 WeakPolarHBondContact OE1-CE 3.49Å; E890-K893 IonicContact OE1-NZ 2.7Å; E890-K893 PolarHBondContact OE1-NZ 2.72Å; E890-K893 IonicContact OE2-NZ 3Å; E890-K893 PolarHBondContact OE2-NZ 2.75Å; K891-K893 VanDerWaalsContact C-N 3.34Å; K891-K893 PolarHBondContact O-N 2.98Å; K893-S896 WeakPolarHBondContact O-CB 3.46Å; K893-S896 PolarHBondContact O-N 3.45Å; K893-L897 PolarHBondContact O-N 2.91Å
894Q88.6Confident86.2Confident122 Ų12284.9 Ų84.957%0.5742%0.417SS*.Hα-helixtrans-61.8-45.7173.3-72176.65.300112.1E890 K891 S896 L897 Q898E890-Q894 WeakPolarHBondContact O-CG 3.45Å; E890-Q894 PolarHBondContact O-N 3.42Å; K891-Q894 PolarHBondContact O-N 3.16Å; Q894-S896 VanDerWaalsContact C-N 3.33Å; Q894-S896 PolarHBondContact O-N 2.91Å; Q894-L897 WeakPolarHBondContact O-CB 3.48Å; Q894-L897 PolarHBondContact O-N 3.4Å; Q894-L897 VanDerWaalsContact O-N 3.16Å; Q894-Q898 PolarHBondContact O-N 3.12Å
895F91.2Very high87Confident37 Ų3784.8 Ų84.816%0.16242%0.42CS..Hα-helixtrans-61.3-40.1175.8-176.3-93.8000112.1R869 M870 F873 K891 L897 Q898 E899R869-F895 HydrophobicContact CB-CE1 4.48Å; R869-F895 HydrophobicContact CB-CZ 4.26Å; M870-F895 HydrophobicContact CE-CD1 3.8Å; M870-F895 HydrophobicContact CE-CE1 4.4Å; M870-F895 HydrophobicContact SD-CD1 4.23Å; F873-F895 HydrophobicContact CB-CD1 4.03Å; F873-F895 HydrophobicContact CB-CD2 4.34Å; F873-F895 HydrophobicContact CB-CE1 3.77Å; F873-F895 HydrophobicContact CB-CE2 4.08Å; F873-F895 HydrophobicContact CB-CG 4.31Å; F873-F895 HydrophobicContact CB-CZ 3.79Å; F873-F895 HydrophobicContact CD1-CB 3.76Å; F873-F895 AromaticContact CD1-CD1 3.78Å; F873-F895 HydrophobicContact CD1-CD1 3.78Å; F873-F895 HydrophobicContact CD1-CD2 4.02Å; F873-F895 HydrophobicContact CD1-CE1 4.4Å; F873-F895 AromaticContact CD1-CG 3.56Å; F873-F895 HydrophobicContact CD1-CG 3.56Å; F873-F895 AromaticContact CD2-CD2 3.52Å; F873-F895 HydrophobicContact CD2-CD2 3.52Å; F873-F895 AromaticContact CD2-CE2 3.7Å; F873-F895 HydrophobicContact CD2-CE2 3.7Å; F873-F895 AromaticContact CD2-CG 3.97Å; F873-F895 HydrophobicContact CD2-CG 3.97Å; F873-F895 HydrophobicContact CD2-CZ 4.3Å; F873-F895 HydrophobicContact CE1-CB 3.46Å; F873-F895 VanDerWaalsContact CE1-CB 3.46Å; F873-F895 HydrophobicContact CE1-CD1 4.39Å; F873-F895 HydrophobicContact CE1-CD2 4.18Å; F873-F895 AromaticContact CE1-CG 3.76Å; F873-F895 HydrophobicContact CE1-CG 3.76Å; F873-F895 HydrophobicContact CE2-CB 4.36Å; F873-F895 AromaticContact CE2-CD2 3.71Å; F873-F895 HydrophobicContact CE2-CD2 3.71Å; F873-F895 HydrophobicContact CE2-CE2 4.29Å; F873-F895 HydrophobicContact CE2-CG 4.16Å; F873-F895 HydrophobicContact CG-CB 4.33Å; F873-F895 AromaticContact CG-CD1 3.86Å; F873-F895 HydrophobicContact CG-CD1 3.86Å; F873-F895 AromaticContact CG-CD2 3.69Å; F873-F895 HydrophobicContact CG-CD2 3.69Å; F873-F895 HydrophobicContact CG-CE1 4.06Å; F873-F895 AromaticContact CG-CE2 3.88Å; F873-F895 HydrophobicContact CG-CE2 3.88Å; F873-F895 AromaticContact CG-CG 3.68Å; F873-F895 HydrophobicContact CG-CG 3.68Å; F873-F895 HydrophobicContact CG-CZ 4.06Å; F873-F895 HydrophobicContact CZ-CB 3.8Å; F873-F895 HydrophobicContact CZ-CD2 4.03Å; F873-F895 HydrophobicContact CZ-CG 4.06Å; K891-F895 WeakPolarHBondContact O-CB 3.41Å; K891-F895 PolarHBondContact O-N 2.91Å; F895-L897 VanDerWaalsContact C-N 3.34Å; F895-L897 PolarHBondContact O-N 2.88Å; F895-Q898 PolarHBondContact O-N 3.15Å; F895-E899 WeakPolarHBondContact O-CB 3.41Å; F895-E899 PolarHBondContact O-N 3.12Å
896S88.2Confident87.7Confident49 Ų4984.4 Ų84.434%0.34341%0.406SS..Hα-helixtrans-59.8-43173.5-164.80000112.1V892 K893 Q894 E899 Q900V892-S896 WeakPolarHBondContact O-CB 3.39Å; V892-S896 PolarHBondContact O-N 2.99Å; K893-S896 WeakPolarHBondContact O-CB 3.46Å; K893-S896 PolarHBondContact O-N 3.45Å; Q894-S896 VanDerWaalsContact C-N 3.33Å; Q894-S896 PolarHBondContact O-N 2.91Å; S896-E899 PolarHBondContact O-N 3.44Å; S896-Q900 WeakPolarHBondContact O-CG 3.29Å; S896-Q900 PolarHBondContact O-N 2.93Å
897L91.1Very high88.1Confident122 Ų12287 Ų8764%0.63941%0.405SS*.Hα-helixtrans-66.2-40.1177.1-15184.8000112.1K893 Q894 F895 Q900 K901K893-L897 PolarHBondContact O-N 2.91Å; Q894-L897 WeakPolarHBondContact O-CB 3.48Å; Q894-L897 PolarHBondContact O-N 3.4Å; Q894-L897 VanDerWaalsContact O-N 3.16Å; F895-L897 VanDerWaalsContact C-N 3.34Å; F895-L897 PolarHBondContact O-N 2.88Å; L897-Q900 PolarHBondContact O-N 3.49Å; L897-K901 PolarHBondContact O-N 3.06Å
898Q90.2Very high88.6Confident133 Ų13387.5 Ų87.562%0.62141%0.407SS*.Hα-helixtrans-64.7-41.7176.1-172.7179.312.400111.7Q894 F895 K901 R902Q894-Q898 PolarHBondContact O-N 3.12Å; F895-Q898 PolarHBondContact O-N 3.15Å; Q898-K901 WeakPolarHBondContact O-CB 3.45Å; Q898-K901 PolarHBondContact O-N 3.06Å; Q898-R902 PolarHBondContact O-N 2.98Å
899E89.9Confident89.2Confident16 Ų1692 Ų928%0.07543%0.427CS..Hα-helixtrans-68-39177.3-178.266.117300111.8A866 R869 F895 S896 K901 R902 Q903A866-E899 WeakPolarHBondContact CA-OE1 3.25Å; A866-E899 HydrophobicContact CB-CG 3.79Å; A866-E899 WeakPolarHBondContact CB-OE1 3.49Å; R869-E899 WeakPolarHBondContact CD-OE1 3.37Å; F895-E899 WeakPolarHBondContact O-CB 3.41Å; F895-E899 PolarHBondContact O-N 3.12Å; S896-E899 PolarHBondContact O-N 3.44Å; E899-K901 VanDerWaalsContact C-N 3.31Å; E899-K901 PolarHBondContact O-N 2.88Å; E899-R902 WeakPolarHBondContact O-CB 3.42Å; E899-R902 PolarHBondContact O-N 3.36Å; E899-R902 IonicContact OE1-CZ 3.74Å; E899-R902 IonicContact OE1-NE 2.67Å; E899-R902 PolarHBondContact OE1-NE 3.31Å; E899-R902 IonicContact OE1-NH2 3.21Å; E899-R902 PolarHBondContact OE1-NH2 3.35Å; E899-R902 IonicContact OE2-CZ 3.09Å; E899-R902 IonicContact OE2-NE 3.57Å; E899-R902 PolarHBondContact OE2-NE 2.57Å; E899-R902 IonicContact OE2-NH2 2.64Å; E899-Q903 WeakPolarHBondContact O-CG 3.46Å; E899-Q903 PolarHBondContact O-N 3.26Å
900Q89.1Confident89.5Confident115 Ų11585.8 Ų85.854%0.53741%0.405SS..Hα-helixtrans-60.7-39.2169.6-74-177.23.500112.1S896 L897 Q903 K904S896-Q900 WeakPolarHBondContact O-CG 3.29Å; S896-Q900 PolarHBondContact O-N 2.93Å; L897-Q900 PolarHBondContact O-N 3.49Å; Q900-Q903 PolarHBondContact O-N 3.29Å; Q900-K904 PolarHBondContact O-N 2.85Å
901K92Very high89.7Confident164 Ų16488 Ų8871%0.71342%0.415SS*.Hα-helixtrans-64.5-41.4174.9-169.1177.3179.8-179.70111.6L897 Q898 E899 K904 A905L897-K901 PolarHBondContact O-N 3.06Å; Q898-K901 WeakPolarHBondContact O-CB 3.45Å; Q898-K901 PolarHBondContact O-N 3.06Å; E899-K901 VanDerWaalsContact C-N 3.31Å; E899-K901 PolarHBondContact O-N 2.88Å; K901-K904 PolarHBondContact O-N 3.07Å; K901-A905 PolarHBondContact O-N 2.86Å
902R91.3Very high90.1Very high61 Ų6190.1 Ų90.123%0.2343%0.426CS..Hα-helixtrans-58-53.2172.1-174.2-176.472.595.6-4.5111E865 Q898 E899 K904 A905 E906E865-R902 VanDerWaalsContact CD-NH2 3.27Å; E865-R902 IonicContact OE1-CZ 3.52Å; E865-R902 IonicContact OE1-NH1 2.81Å; E865-R902 IonicContact OE1-NH2 3.63Å; E865-R902 IonicContact OE2-CZ 2.76Å; E865-R902 VanDerWaalsContact OE2-CZ 3.26Å; E865-R902 IonicContact OE2-NH1 3.8Å; E865-R902 PolarHBondContact OE2-NH1 3.29Å; E865-R902 IonicContact OE2-NH2 3.61Å; E865-R902 PolarHBondContact OE2-NH2 2.9Å; Q898-R902 PolarHBondContact O-N 2.98Å; E899-R902 WeakPolarHBondContact O-CB 3.42Å; E899-R902 PolarHBondContact O-N 3.36Å; E899-R902 IonicContact OE1-CZ 3.74Å; E899-R902 IonicContact OE1-NE 2.67Å; E899-R902 PolarHBondContact OE1-NE 3.31Å; E899-R902 IonicContact OE1-NH2 3.21Å; E899-R902 PolarHBondContact OE1-NH2 3.35Å; E899-R902 IonicContact OE2-CZ 3.09Å; E899-R902 IonicContact OE2-NE 3.57Å; E899-R902 PolarHBondContact OE2-NE 2.57Å; E899-R902 IonicContact OE2-NH2 2.64Å; R902-K904 PolarHBondContact O-N 2.88Å; R902-A905 PolarHBondContact O-N 2.91Å; R902-E906 IonicContact NH1-OE1 3.73Å; R902-E906 IonicContact NH1-OE2 2.7Å; R902-E906 WeakPolarHBondContact O-CB 3.5Å; R902-E906 PolarHBondContact O-N 2.89Å
903Q89.8Confident90.4Very high33 Ų3392.8 Ų92.815%0.15444%0.435CS..Hα-helixtrans-60.1-31.3180-71.8177.4-14.200113.3Q862 A866 E899 Q900 R907Q862-Q903 HydrophobicContact CB-CG 4.19Å; Q862-Q903 HydrophobicContact CG-CG 4.38Å; Q862-Q903 PolarHBondContact NE2-O 2.74Å; Q862-Q903 VanDerWaalsContact NE2-O 3.11Å; Q862-Q903 PolarHBondContact O-NE2 3.41Å; A866-Q903 VanDerWaalsContact CB-NE2 3.32Å; E899-Q903 WeakPolarHBondContact O-CG 3.46Å; E899-Q903 PolarHBondContact O-N 3.26Å; Q900-Q903 PolarHBondContact O-N 3.29Å; Q903-R907 WeakPolarHBondContact O-CG 3.34Å; Q903-R907 PolarHBondContact O-N 2.96Å; Q903-R907 PolarHBondContact O-NE 3.24Å
904K90.1Very high90.6Very high124 Ų12487 Ų8754%0.53941%0.41SS..Hα-helixtrans-71-49.4174.2-173.2178.7177.4179.40111.3Q900 K901 R902 E906 R907 Q908Q900-K904 PolarHBondContact O-N 2.85Å; K901-K904 PolarHBondContact O-N 3.07Å; R902-K904 PolarHBondContact O-N 2.88Å; K904-E906 PolarHBondContact O-N 3.19Å; K904-R907 PolarHBondContact O-N 3.28Å; K904-Q908 WeakPolarHBondContact O-CG 3.48Å; K904-Q908 PolarHBondContact O-N 3.34Å
905A90.8Very high90.8Very high55 Ų5587.3 Ų87.346%0.45541%0.411SS..Hα-helixtrans-61.4-42.417900000112.2K901 R902 R907 Q908 H909K901-A905 PolarHBondContact O-N 2.86Å; R902-A905 PolarHBondContact O-N 2.91Å; A905-R907 PolarHBondContact O-N 3.03Å; A905-Q908 PolarHBondContact O-N 3.1Å; A905-H909 PolarHBondContact O-N 3.3Å
906E89.7Confident91Very high64 Ų6490 Ų9030%0.29943%0.428SS..Hα-helixtrans-62.6-39.6176.7-177174.8-129.400112.4M858 Q862 R902 K904 H909 Q910M858-E906 HydrophobicContact CE-CG 4.28Å; Q862-E906 PolarHBondContact NE2-OE2 3.11Å; R902-E906 IonicContact NH1-OE1 3.73Å; R902-E906 IonicContact NH1-OE2 2.7Å; R902-E906 WeakPolarHBondContact O-CB 3.5Å; R902-E906 PolarHBondContact O-N 2.89Å; K904-E906 PolarHBondContact O-N 3.19Å; E906-H909 PolarHBondContact O-N 3.5Å; E906-Q910 WeakPolarHBondContact O-CB 3.34Å; E906-Q910 PolarHBondContact O-N 3.37Å
907R87.9Confident91.3Very high126 Ų12690.5 Ų90.548%0.47542%0.424SS..Hα-helixtrans-65.6-39.6173.2-79.7177.8-69.3139.9-7.5112.6Q903 K904 A905 Q910 Q911Q903-R907 WeakPolarHBondContact O-CG 3.34Å; Q903-R907 PolarHBondContact O-N 2.96Å; Q903-R907 PolarHBondContact O-NE 3.24Å; K904-R907 PolarHBondContact O-N 3.28Å; A905-R907 PolarHBondContact O-N 3.03Å; R907-Q910 PolarHBondContact O-N 3.43Å; R907-Q911 WeakPolarHBondContact O-CB 3.44Å; R907-Q911 PolarHBondContact O-N 3.41Å
908Q90.2Very high91.4Very high114 Ų11486.9 Ų86.953%0.53341%0.406SS..Hα-helixtrans-65.5-42.3175.6-69178.2-82.700111.4K904 A905 Q911 Q912K904-Q908 WeakPolarHBondContact O-CG 3.48Å; K904-Q908 PolarHBondContact O-N 3.34Å; A905-Q908 PolarHBondContact O-N 3.1Å; Q908-Q911 PolarHBondContact O-N 3.07Å; Q908-Q912 PolarHBondContact O-N 3.24Å
909H91.7Very high91.6Very high125 Ų12588.3 Ų88.358%0.57941%0.41SS*.Hα-helixtrans-63-43.6175.3-177.863.5000112.2A905 E906 Q911 Q912 K913A905-H909 PolarHBondContact O-N 3.3Å; E906-H909 PolarHBondContact O-N 3.5Å; H909-Q911 VanDerWaalsContact C-N 3.34Å; H909-Q911 PolarHBondContact O-N 2.99Å; H909-Q912 PolarHBondContact O-N 3.13Å; H909-K913 WeakPolarHBondContact O-CB 3.4Å; H909-K913 PolarHBondContact O-N 3.03Å
910Q89.3Confident91.9Very high34 Ų3494.6 Ų94.616%0.15944%0.439CS..Hα-helixtrans-64.1-38.1176-172.967.211.300112.1E854 E906 R907 K913 H914E854-Q910 PolarHBondContact OE2-NE2 3.42Å; E906-Q910 WeakPolarHBondContact O-CB 3.34Å; E906-Q910 PolarHBondContact O-N 3.37Å; R907-Q910 PolarHBondContact O-N 3.43Å; Q910-K913 PolarHBondContact O-N 3.12Å; Q910-H914 PolarHBondContact NE2-NE2 3.48Å; Q910-H914 VanDerWaalsContact NE2-NE2 3.13Å; Q910-H914 PolarHBondContact O-N 2.92Å
911Q90.2Very high92.1Very high128 Ų12891.5 Ų91.560%0.59843%0.425SS*.Hα-helixtrans-63.5-46.4173.8179.5174.7-9.400111.7R907 Q908 H909 K913 H914 E915R907-Q911 WeakPolarHBondContact O-CB 3.44Å; R907-Q911 PolarHBondContact O-N 3.41Å; Q908-Q911 PolarHBondContact O-N 3.07Å; H909-Q911 VanDerWaalsContact C-N 3.34Å; H909-Q911 PolarHBondContact O-N 2.99Å; Q911-K913 VanDerWaalsContact C-N 3.31Å; Q911-K913 PolarHBondContact O-N 3Å; Q911-H914 WeakPolarHBondContact O-CB 3.38Å; Q911-H914 PolarHBondContact O-N 2.83Å; Q911-H914 VanDerWaalsContact O-N 3.17Å; Q911-E915 PolarHBondContact O-N 3.19Å
912Q93.8Very high92.2Very high111 Ų11187.9 Ų87.952%0.51941%0.412SS..Hα-helixtrans-64.3-36177.7-168.3178.22400112.2Q908 H909 E915 N916Q908-Q912 PolarHBondContact O-N 3.24Å; H909-Q912 PolarHBondContact O-N 3.13Å; Q912-E915 PolarHBondContact O-N 3.27Å; Q912-N916 WeakPolarHBondContact O-CB 3.45Å; Q912-N916 VanDerWaalsContact O-CG 3.29Å; Q912-N916 PolarHBondContact O-N 3.34Å
913K93.4Very high92.3Very high90 Ų9086.5 Ų86.539%0.39142%0.416SS..Hα-helixtrans-61.3-45.1171.5180-174.9175.2-171.70111.6H909 Q910 Q911 N916 Q917H909-K913 WeakPolarHBondContact O-CB 3.4Å; H909-K913 PolarHBondContact O-N 3.03Å; Q910-K913 PolarHBondContact O-N 3.12Å; Q911-K913 VanDerWaalsContact C-N 3.31Å; Q911-K913 PolarHBondContact O-N 3Å; K913-N916 PolarHBondContact O-N 2.91Å; K913-Q917 WeakPolarHBondContact O-CB 3.49Å; K913-Q917 VanDerWaalsContact O-CG 3.28Å; K913-Q917 WeakPolarHBondContact O-CG 3.46Å; K913-Q917 PolarHBondContact O-N 3.29Å
914H93.9Very high92.5Very high4 Ų489.7 Ų89.72%0.01943%0.431CS..Hα-helixtrans-63.9-40177.2-74.5178.4000112.6Q851 E854 K855 Q910 Q911 L918Q851-H914 HydrophobicContact CG-CB 4.17Å; Q851-H914 PolarHBondContact NE2-O 3.02Å; Q851-H914 PolarHBondContact O-CE1 2.88Å; E854-H914 IonicContact OE2-CD2 2.69Å; E854-H914 IonicContact OE2-CE1 3.15Å; E854-H914 IonicContact OE2-NE2 3.65Å; E854-H914 PolarHBondContact OE2-NE2 2.91Å; K855-H914 VanDerWaalsContact CE-ND1 3.29Å; K855-H914 WeakPolarHBondContact CE-ND1 3.48Å; Q910-H914 PolarHBondContact NE2-NE2 3.48Å; Q910-H914 VanDerWaalsContact NE2-NE2 3.13Å; Q910-H914 PolarHBondContact O-N 2.92Å; Q911-H914 WeakPolarHBondContact O-CB 3.38Å; Q911-H914 PolarHBondContact O-N 2.83Å; Q911-H914 VanDerWaalsContact O-N 3.17Å; H914-L918 PolarHBondContact O-N 3.44Å
915E93.6Very high92.6Very high128 Ų12884.2 Ų84.260%0.59841%0.408SS*.Hα-helixtrans-63.3-48.4175.7-171.7179.216400112Q911 Q912 Q917 L918 K919Q911-E915 PolarHBondContact O-N 3.19Å; Q912-E915 PolarHBondContact O-N 3.27Å; E915-Q917 PolarHBondContact O-N 2.97Å; E915-L918 PolarHBondContact O-N 2.93Å; E915-K919 PolarHBondContact O-N 3.49Å
916N94.8Very high92.7Very high95 Ų9586.7 Ų86.751%0.50841%0.411SS..Hα-helixtrans-59.5-45.3176.5-73.4-15.1000112.2Q912 K913 L918 K919 E920Q912-N916 WeakPolarHBondContact O-CB 3.45Å; Q912-N916 VanDerWaalsContact O-CG 3.29Å; Q912-N916 PolarHBondContact O-N 3.34Å; K913-N916 PolarHBondContact O-N 2.91Å; N916-L918 VanDerWaalsContact C-N 3.32Å; N916-L918 PolarHBondContact O-N 2.94Å; N916-K919 PolarHBondContact O-N 3.36Å; N916-E920 WeakPolarHBondContact O-CB 3.21Å; N916-E920 PolarHBondContact O-N 3.09Å
917Q94.3Very high92.9Very high58 Ų5885.4 Ų85.427%0.27141%0.409SS..Hα-helixtrans-61.2-38.6176.8-75.6175.6-32.300112.7L847 K913 E915 M921L847-Q917 HydrophobicContact CD1-CB 4.45Å; L847-Q917 HydrophobicContact CD2-CB 4.31Å; L847-Q917 WeakPolarHBondContact CD2-O 3.34Å; K913-Q917 WeakPolarHBondContact O-CB 3.49Å; K913-Q917 VanDerWaalsContact O-CG 3.28Å; K913-Q917 WeakPolarHBondContact O-CG 3.46Å; K913-Q917 PolarHBondContact O-N 3.29Å; E915-Q917 PolarHBondContact O-N 2.97Å; Q917-M921 WeakPolarHBondContact O-CB 3.46Å; Q917-M921 PolarHBondContact O-N 3Å
918L93.8Very high93Very high47 Ų4780.9 Ų80.925%0.24639%0.394CS..Hα-helixtrans-68.1-40.8177.9-178.961.3000111I844 H914 E915 N916 M921 M922I844-L918 HydrophobicContact CG2-CD1 4.07Å; H914-L918 PolarHBondContact O-N 3.44Å; E915-L918 PolarHBondContact O-N 2.93Å; N916-L918 VanDerWaalsContact C-N 3.32Å; N916-L918 PolarHBondContact O-N 2.94Å; L918-M921 PolarHBondContact O-N 3.48Å; L918-M922 HydrophobicContact CG-SD 4.42Å; L918-M922 WeakPolarHBondContact O-CG 3.42Å; L918-M922 PolarHBondContact O-N 2.92Å
919K95.2Very high93.2Very high162 Ų16278 Ų7870%0.70438%0.381SS*.Hα-helixtrans-64.2-41176.1-172.7174.4-178175.40112.5E915 N916 M922 G923E915-K919 PolarHBondContact O-N 3.49Å; N916-K919 PolarHBondContact O-N 3.36Å; K919-M922 PolarHBondContact O-N 3.04Å; K919-G923 PolarHBondContact O-N 3.07Å
920E94.8Very high93.3Very high148 Ų14879.1 Ų79.169%0.69238%0.381SS*.Hα-helixtrans-62.3-45.9173.8-175.1175-158.800111.4N916 M922 G923 Q924N916-E920 WeakPolarHBondContact O-CB 3.21Å; N916-E920 PolarHBondContact O-N 3.09Å; E920-M922 PolarHBondContact O-N 3.26Å; E920-G923 PolarHBondContact O-N 3.34Å; E920-Q924 PolarHBondContact O-N 3.03Å
921M94.3Very high93.4Very high50 Ų5082.1 Ų82.125%0.24640%0.395CS..Hα-helixtrans-62.7-41.6177.1-17059.958.100112.7M843 I844 L847 Q917 L918 Q924 C925M843-M921 HydrophobicContact CB-SD 4.17Å; I844-M921 HydrophobicContact CG1-CG 3.98Å; L847-M921 HydrophobicContact CD2-CB 3.62Å; L847-M921 HydrophobicContact CD2-CE 4.24Å; L847-M921 HydrophobicContact CD2-CG 3.96Å; Q917-M921 WeakPolarHBondContact O-CB 3.46Å; Q917-M921 PolarHBondContact O-N 3Å; L918-M921 PolarHBondContact O-N 3.48Å; M921-Q924 PolarHBondContact O-N 3.28Å; M921-C925 PolarHBondContact O-N 2.95Å; M921-C925 PolarHBondContact O-SG 3.01Å
922M93.6Very high93.5Very high89 Ų8977.1 Ų77.144%0.43837%0.372SS..Hα-helixtrans-62.8-45.2174.2-73.6177.66300111.7I844 L918 K919 E920 Q924 C925 E926I844-M922 HydrophobicContact CD1-CG 4.28Å; L918-M922 HydrophobicContact CG-SD 4.42Å; L918-M922 WeakPolarHBondContact O-CG 3.42Å; L918-M922 PolarHBondContact O-N 2.92Å; K919-M922 PolarHBondContact O-N 3.04Å; E920-M922 PolarHBondContact O-N 3.26Å; M922-Q924 VanDerWaalsContact C-N 3.29Å; M922-Q924 PolarHBondContact O-N 3.23Å; M922-C925 WeakPolarHBondContact O-CB 3.29Å; M922-C925 PolarHBondContact O-N 3.1Å; M922-C925 VanDerWaalsContact O-N 3.09Å; M922-E926 WeakPolarHBondContact O-CG 3.38Å; M922-E926 PolarHBondContact O-N 3.01Å
923G94.1Very high93.5Very high31 Ų3176.6 Ų76.632%0.3237%0.37SS..Hα-helixtrans-59.9-36.717600000113.4K919 E920 S927K919-G923 PolarHBondContact O-N 3.07Å; E920-G923 PolarHBondContact O-N 3.34Å; G923-S927 PolarHBondContact O-N 2.9Å
924Q92.4Very high93.5Very high100 Ų10077.9 Ų77.947%0.46738%0.377SS..Hα-helixtrans-66.5-43.3172.6-173.161.859.400111.7E920 M921 M922 E926 S927 N928E920-Q924 PolarHBondContact O-N 3.03Å; M921-Q924 PolarHBondContact O-N 3.28Å; M922-Q924 VanDerWaalsContact C-N 3.29Å; M922-Q924 PolarHBondContact O-N 3.23Å; Q924-E926 VanDerWaalsContact C-N 3.32Å; Q924-E926 PolarHBondContact O-N 3.39Å; Q924-S927 WeakPolarHBondContact O-CB 3.44Å; Q924-S927 PolarHBondContact O-N 3.28Å; Q924-S927 VanDerWaalsContact O-N 3.07Å; Q924-N928 PolarHBondContact NE2-OD1 2.78Å; Q924-N928 PolarHBondContact O-N 3.35Å; Q924-N928 PolarHBondContact O-OD1 3.35Å; Q924-N928 VanDerWaalsContact O-OD1 3.06Å
925C92.7Very high93.4Very high9 Ų982.2 Ų82.26%0.06140%0.4CS..Hα-helixtrans-60.2-41.7176.3-64.80000111.9N840 M921 M922 S927 N928 I929N840-C925 HydrophobicContact CB-CB 3.81Å; N840-C925 VanDerWaalsContact CB-SG 3.59Å; N840-C925 PolarHBondContact ND2-O 3.01Å; N840-C925 VanDerWaalsContact ND2-O 3.12Å; M921-C925 PolarHBondContact O-N 2.95Å; M921-C925 PolarHBondContact O-SG 3.01Å; M922-C925 WeakPolarHBondContact O-CB 3.29Å; M922-C925 PolarHBondContact O-N 3.1Å; M922-C925 VanDerWaalsContact O-N 3.09Å; C925-S927 VanDerWaalsContact C-N 3.32Å; C925-S927 PolarHBondContact O-N 3.41Å; C925-N928 PolarHBondContact O-N 2.88Å; C925-I929 WeakPolarHBondContact O-CG1 3.46Å; C925-I929 PolarHBondContact O-N 3.13Å; C925-I929 VanDerWaalsContact O-N 3.12Å
926E93.8Very high93.3Very high108 Ų10876.8 Ų76.851%0.50537%0.374SS..Hα-helixtrans-65.9-30.2173.7-70.8170.4-161.400112.8M922 Q924 R930M922-E926 WeakPolarHBondContact O-CG 3.38Å; M922-E926 PolarHBondContact O-N 3.01Å; Q924-E926 VanDerWaalsContact C-N 3.32Å; Q924-E926 PolarHBondContact O-N 3.39Å; E926-R930 WeakPolarHBondContact O-CG 3.26Å; E926-R930 PolarHBondContact O-N 3.22Å; E926-R930 PolarHBondContact O-NE 3.44Å
927S93.9Very high93.2Very high36 Ų3677.1 Ų77.125%0.25238%0.376SS..Hα-helixtrans-68.5-52.8171.6-151.80000110.6G923 Q924 C925 I929 R930 E931G923-S927 PolarHBondContact O-N 2.9Å; Q924-S927 WeakPolarHBondContact O-CB 3.44Å; Q924-S927 PolarHBondContact O-N 3.28Å; Q924-S927 VanDerWaalsContact O-N 3.07Å; C925-S927 VanDerWaalsContact C-N 3.32Å; C925-S927 PolarHBondContact O-N 3.41Å; S927-I929 PolarHBondContact O-N 2.75Å; S927-I929 VanDerWaalsContact O-N 3.15Å; S927-R930 PolarHBondContact O-N 2.95Å; S927-E931 VanDerWaalsContact CB-OE1 3.29Å; S927-E931 WeakPolarHBondContact CB-OE1 3.28Å; S927-E931 WeakPolarHBondContact O-CG 3.42Å; S927-E931 PolarHBondContact O-N 2.83Å; S927-E931 PolarHBondContact OG-OE1 3.45Å
928N89.9Confident93.2Very high31 Ų3178.7 Ų78.717%0.16638%0.384CS..Hα-helixtrans-52.5-40.9179.7-59-10.8000112.5M836 N840 Q924 C925 L932M836-N928 HydrophobicContact CE-CB 4.49Å; M836-N928 HydrophobicContact SD-CB 3.75Å; N840-N928 PolarHBondContact OD1-ND2 3.24Å; Q924-N928 PolarHBondContact NE2-OD1 2.78Å; Q924-N928 PolarHBondContact O-N 3.35Å; Q924-N928 PolarHBondContact O-OD1 3.35Å; Q924-N928 VanDerWaalsContact O-OD1 3.06Å; C925-N928 PolarHBondContact O-N 2.88Å; N928-L932 WeakPolarHBondContact O-CB 3.43Å; N928-L932 PolarHBondContact O-N 3.49Å
929I92.9Very high93.1Very high53 Ų5380.1 Ų80.127%0.27239%0.388SS..Hα-helixtrans-69.4-41.8178.3-69.4165.7000111.7M836 C925 S927 L932 Q933M836-I929 HydrophobicContact CG-CG1 4.16Å; C925-I929 WeakPolarHBondContact O-CG1 3.46Å; C925-I929 PolarHBondContact O-N 3.13Å; C925-I929 VanDerWaalsContact O-N 3.12Å; S927-I929 PolarHBondContact O-N 2.75Å; S927-I929 VanDerWaalsContact O-N 3.15Å; I929-L932 PolarHBondContact O-N 3.07Å; I929-Q933 WeakPolarHBondContact O-CB 3.28Å; I929-Q933 PolarHBondContact O-N 3.42Å
930R94.1Very high92.9Very high149 Ų14974 Ų7456%0.56237%0.365SS*.Hα-helixtrans-69.1-39.8178.3-76.5176.4-70.6170.8-2.1112.1E926 S927 Q933 Q934E926-R930 WeakPolarHBondContact O-CG 3.26Å; E926-R930 PolarHBondContact O-N 3.22Å; E926-R930 PolarHBondContact O-NE 3.44Å; S927-R930 PolarHBondContact O-N 2.95Å; R930-Q933 PolarHBondContact O-N 3.27Å; R930-Q934 PolarHBondContact O-N 3.2Å
931E92.7Very high92.9Very high98 Ų9872.9 Ų72.946%0.45836%0.359SS..Hα-helixtrans-62.3-44.7174.8-71.1164.7-127.700111S927 Q934 L935S927-E931 VanDerWaalsContact CB-OE1 3.29Å; S927-E931 WeakPolarHBondContact CB-OE1 3.28Å; S927-E931 WeakPolarHBondContact O-CG 3.42Å; S927-E931 PolarHBondContact O-N 2.83Å; S927-E931 PolarHBondContact OG-OE1 3.45Å; E931-Q934 PolarHBondContact O-N 3.04Å; E931-L935 WeakPolarHBondContact O-CG 3.34Å; E931-L935 PolarHBondContact O-N 3.26Å; E931-L935 VanDerWaalsContact O-N 3.09Å
932L92.1Very high92.8Very high22 Ų2276.3 Ų76.312%0.11538%0.377CS..Hα-helixtrans-60.8-47.7172.5177.661.2000111.8E832 M836 N928 I929 Q934 L935 Q936E832-L932 HydrophobicContact CB-CD1 4.36Å; E832-L932 HydrophobicContact CB-CD2 4.44Å; E832-L932 WeakPolarHBondContact O-CD2 3.5Å; M836-L932 HydrophobicContact CB-CD2 3.6Å; M836-L932 HydrophobicContact CE-CB 4.35Å; M836-L932 HydrophobicContact CE-CD2 4.29Å; M836-L932 HydrophobicContact CG-CD2 3.95Å; N928-L932 WeakPolarHBondContact O-CB 3.43Å; N928-L932 PolarHBondContact O-N 3.49Å; I929-L932 PolarHBondContact O-N 3.07Å; L932-Q934 VanDerWaalsContact C-N 3.29Å; L932-Q934 PolarHBondContact O-N 2.99Å; L932-L935 PolarHBondContact O-N 3.27Å; L932-Q936 HydrophobicContact CD1-CG 4.14Å; L932-Q936 HydrophobicContact CG-CG 4.37Å; L932-Q936 VanDerWaalsContact O-CG 3.29Å; L932-Q936 WeakPolarHBondContact O-CG 3.19Å; L932-Q936 PolarHBondContact O-N 3.1Å
933Q94Very high92.8Very high101 Ų10173.5 Ų73.547%0.47236%0.363SS..Hα-helixtrans-63.3-34.8-179.3-167.9176.613.900112.2I929 R930 Q936 N937I929-Q933 WeakPolarHBondContact O-CB 3.28Å; I929-Q933 PolarHBondContact O-N 3.42Å; R930-Q933 PolarHBondContact O-N 3.27Å; Q933-Q936 PolarHBondContact O-N 3.27Å; Q933-N937 VanDerWaalsContact O-CG 3.23Å; Q933-N937 PolarHBondContact O-N 3.46Å; Q933-N937 PolarHBondContact O-ND2 3.03Å
934Q93.4Very high92.8Very high116 Ų11676.1 Ų76.154%0.54237%0.369SS..Hα-helixtrans-62.2-51.5171.5-179.8179.8-25.400111.2R930 E931 L932 Q936 N937 E938R930-Q934 PolarHBondContact O-N 3.2Å; E931-Q934 PolarHBondContact O-N 3.04Å; L932-Q934 VanDerWaalsContact C-N 3.29Å; L932-Q934 PolarHBondContact O-N 2.99Å; Q934-Q936 PolarHBondContact O-N 3.26Å; Q934-N937 WeakPolarHBondContact O-CB 3.48Å; Q934-N937 PolarHBondContact O-N 3.08Å; Q934-N937 VanDerWaalsContact O-N 3.09Å; Q934-E938 WeakPolarHBondContact CG-OE1 3.47Å; Q934-E938 PolarHBondContact NE2-OE1 2.96Å; Q934-E938 WeakPolarHBondContact O-CG 3.47Å; Q934-E938 PolarHBondContact O-N 2.88Å
935L90.6Very high92.8Very high95 Ų9575.1 Ų75.150%0.49736%0.364SS..Hα-helixtrans-59.5-34.6178-68.5169.2000112.2E931 L932 K939E931-L935 WeakPolarHBondContact O-CG 3.34Å; E931-L935 PolarHBondContact O-N 3.26Å; E931-L935 VanDerWaalsContact O-N 3.09Å; L932-L935 PolarHBondContact O-N 3.27Å; L935-K939 VanDerWaalsContact O-CG 3.26Å; L935-K939 WeakPolarHBondContact O-CG 3.43Å; L935-K939 PolarHBondContact O-N 2.88Å
936Q92.5Very high92.8Very high15 Ų1577.9 Ų77.97%0.0738%0.378CS..Hα-helixtrans-68.4-41.6174.6-71.4-178.5-14.800112.4H829 E832 L932 Q933 Q934 K939 C940H829-Q936 VanDerWaalsContact CA-NE2 3.33Å; H829-Q936 HydrophobicContact CB-CG 4.16Å; H829-Q936 PolarHBondContact CE1-O 3.24Å; H829-Q936 VanDerWaalsContact CE1-O 3.23Å; H829-Q936 PolarHBondContact O-NE2 3.43Å; E832-Q936 PolarHBondContact OE2-NE2 2.94Å; E832-Q936 VanDerWaalsContact OE2-NE2 3.11Å; L932-Q936 HydrophobicContact CD1-CG 4.14Å; L932-Q936 HydrophobicContact CG-CG 4.37Å; L932-Q936 VanDerWaalsContact O-CG 3.29Å; L932-Q936 WeakPolarHBondContact O-CG 3.19Å; L932-Q936 PolarHBondContact O-N 3.1Å; Q933-Q936 PolarHBondContact O-N 3.27Å; Q934-Q936 PolarHBondContact O-N 3.26Å; Q936-K939 PolarHBondContact O-N 3.32Å; Q936-C940 PolarHBondContact O-N 3.45Å; Q936-C940 PolarHBondContact O-SG 3.17Å; Q936-C940 VanDerWaalsContact O-SG 3.36Å
937N92.4Very high92.9Very high102 Ų10273.9 Ų73.955%0.54536%0.359SS..Hα-helixtrans-64.3-40.1173.6-70.2-25.6000111.9Q933 Q934 C940 H941Q933-N937 VanDerWaalsContact O-CG 3.23Å; Q933-N937 PolarHBondContact O-N 3.46Å; Q933-N937 PolarHBondContact O-ND2 3.03Å; Q934-N937 WeakPolarHBondContact O-CB 3.48Å; Q934-N937 PolarHBondContact O-N 3.08Å; Q934-N937 VanDerWaalsContact O-N 3.09Å; N937-C940 PolarHBondContact O-N 3.02Å; N937-H941 PolarHBondContact O-N 2.7Å
938E93.8Very high92.9Very high91 Ų9176.1 Ų76.143%0.42537%0.372SS..Hα-helixtrans-63.2-45.7175.6-72171.7-170.300111.7Q934 C940 H941 M942Q934-E938 WeakPolarHBondContact CG-OE1 3.47Å; Q934-E938 PolarHBondContact NE2-OE1 2.96Å; Q934-E938 WeakPolarHBondContact O-CG 3.47Å; Q934-E938 PolarHBondContact O-N 2.88Å; E938-C940 VanDerWaalsContact C-N 3.33Å; E938-C940 PolarHBondContact O-N 3.43Å; E938-H941 PolarHBondContact O-N 3.27Å; E938-M942 WeakPolarHBondContact O-CG 3.08Å; E938-M942 PolarHBondContact O-N 3.16Å
939K91.2Very high93.2Very high77 Ų7779.8 Ų79.834%0.33539%0.388SS..Hα-helixtrans-55.1-46171.6-72.2166.5-176.5177.70111.7L825 H829 E832 L935 Q936 L943L825-K939 HydrophobicContact CD1-CB 4.43Å; L825-K939 HydrophobicContact CD1-CD 4.41Å; L825-K939 HydrophobicContact CD2-CB 4.32Å; H829-K939 WeakPolarHBondContact NE2-CD 3.33Å; E832-K939 IonicContact OE1-NZ 3.62Å; E832-K939 PolarHBondContact OE1-NZ 3.44Å; E832-K939 IonicContact OE2-NZ 2.67Å; E832-K939 PolarHBondContact OE2-NZ 3.47Å; L935-K939 VanDerWaalsContact O-CG 3.26Å; L935-K939 WeakPolarHBondContact O-CG 3.43Å; L935-K939 PolarHBondContact O-N 2.88Å; Q936-K939 PolarHBondContact O-N 3.32Å; K939-L943 PolarHBondContact O-N 2.9Å; K939-L943 VanDerWaalsContact O-N 3.13Å
940C92.4Very high93.2Very high34 Ų3483.9 Ų83.923%0.2340%0.4CS..Hα-helixtrans-64.6-42.7178.7-73.60000112.6Q936 N937 E938 L943 I944Q936-C940 PolarHBondContact O-N 3.45Å; Q936-C940 PolarHBondContact O-SG 3.17Å; Q936-C940 VanDerWaalsContact O-SG 3.36Å; N937-C940 PolarHBondContact O-N 3.02Å; E938-C940 VanDerWaalsContact C-N 3.33Å; E938-C940 PolarHBondContact O-N 3.43Å; C940-L943 PolarHBondContact O-N 2.69Å; C940-I944 WeakPolarHBondContact O-CG1 3.38Å; C940-I944 PolarHBondContact O-N 2.91Å; C940-I944 VanDerWaalsContact O-N 3.12Å
941H93.3Very high93.3Very high123 Ų12378 Ų7857%0.56938%0.38SS*.Hα-helixtrans-62.5-48.1177.4-171.6-71.9000111.3N937 E938 L943 I944 E945N937-H941 PolarHBondContact O-N 2.7Å; E938-H941 PolarHBondContact O-N 3.27Å; H941-L943 PolarHBondContact O-N 2.76Å; H941-I944 PolarHBondContact O-N 3.32Å; H941-E945 IonicContact CE1-OE2 2.71Å; H941-E945 IonicContact ND1-OE2 2.77Å; H941-E945 WeakPolarHBondContact O-CB 3.4Å; H941-E945 PolarHBondContact O-N 3.3Å
942M93.7Very high93.4Very high123 Ų12379.3 Ų79.361%0.60638%0.384SS*.Hα-helixtrans-57.6-37177.1-72.7-60.8-56.600112.5E938 N946E938-M942 WeakPolarHBondContact O-CG 3.08Å; E938-M942 PolarHBondContact O-N 3.16Å; M942-N946 VanDerWaalsContact O-CB 3.29Å; M942-N946 WeakPolarHBondContact O-CB 3.36Å; M942-N946 PolarHBondContact O-N 2.73Å
943L92.9Very high93.5Very high29 Ų2982.5 Ų82.515%0.15240%0.398CS..Hα-helixtrans-68.9-44.7177.8-177.159.6000112.4Y818 Q821 R822 L825 K939 C940 H941 N946 E947Y818-L943 HydrophobicContact CD1-CD1 3.82Å; Y818-L943 HydrophobicContact CD1-CG 4.49Å; Y818-L943 HydrophobicContact CE1-CD1 3.9Å; Q821-L943 HydrophobicContact CB-CD1 4.3Å; Q821-L943 HydrophobicContact CB-CD2 4.21Å; R822-L943 HydrophobicContact CB-CD2 4.4Å; R822-L943 HydrophobicContact CG-CD2 3.71Å; R822-L943 HydrophobicContact CG-CG 4.36Å; L825-L943 HydrophobicContact CB-CD2 4.49Å; L825-L943 HydrophobicContact CD2-CB 4.49Å; L825-L943 HydrophobicContact CD2-CD2 3.75Å; K939-L943 PolarHBondContact O-N 2.9Å; K939-L943 VanDerWaalsContact O-N 3.13Å; C940-L943 PolarHBondContact O-N 2.69Å; H941-L943 PolarHBondContact O-N 2.76Å; L943-N946 PolarHBondContact O-N 2.97Å; L943-E947 PolarHBondContact O-N 2.94Å
944I93.6Very high93.6Very high86 Ų8678.8 Ų78.844%0.44138%0.381SS..Hα-helixtrans-67.7-36.9178.3-66.1165.4000111C940 H941 T948C940-I944 WeakPolarHBondContact O-CG1 3.38Å; C940-I944 PolarHBondContact O-N 2.91Å; C940-I944 VanDerWaalsContact O-N 3.12Å; H941-I944 PolarHBondContact O-N 3.32Å; I944-T948 WeakPolarHBondContact O-CB 3.36Å; I944-T948 PolarHBondContact O-N 3.11Å; I944-T948 PolarHBondContact O-OG1 2.97Å
945E93.1Very high93.7Very high80 Ų8076 Ų7637%0.37437%0.37SS..Hα-helixtrans-65.5-44.2173.8-169.9179.7165.900111.1H941 E947 T948 Q949H941-E945 IonicContact CE1-OE2 2.71Å; H941-E945 IonicContact ND1-OE2 2.77Å; H941-E945 WeakPolarHBondContact O-CB 3.4Å; H941-E945 PolarHBondContact O-N 3.3Å; E945-E947 PolarHBondContact O-N 2.86Å; E945-T948 PolarHBondContact O-N 2.91Å; E945-Q949 HydrophobicContact CG-CG 4.45Å; E945-Q949 WeakPolarHBondContact O-CB 3.35Å; E945-Q949 VanDerWaalsContact O-CG 3.31Å; E945-Q949 WeakPolarHBondContact O-CG 3.38Å; E945-Q949 PolarHBondContact O-N 3.27Å; E945-Q949 PolarHBondContact OE1-NE2 3.28Å
946N93.2Very high94Very high67 Ų6775.9 Ų75.936%0.35837%0.367SS..Hα-helixtrans-60.5-45.9176.8-162.6-79.7000111.9Y818 M942 L943 T948 Q949 R950Y818-N946 PolarHBondContact OH-OD1 3.45Å; M942-N946 VanDerWaalsContact O-CB 3.29Å; M942-N946 WeakPolarHBondContact O-CB 3.36Å; M942-N946 PolarHBondContact O-N 2.73Å; L943-N946 PolarHBondContact O-N 2.97Å; N946-T948 PolarHBondContact O-N 3.14Å; N946-Q949 PolarHBondContact O-N 3.12Å; N946-R950 VanDerWaalsContact O-CB 3.3Å; N946-R950 WeakPolarHBondContact O-CB 3.36Å; N946-R950 WeakPolarHBondContact O-CG 3.45Å; N946-R950 PolarHBondContact O-N 3.47Å
947E94.3Very high94.1Very high23 Ų2379.4 Ų79.411%0.10738%0.383CS..Hα-helixtrans-54.8-49.4172176.2178.4-153.900111.6Y818 R822 L943 E945 R950 L951Y818-E947 WeakPolarHBondContact CB-OE1 3.34Å; Y818-E947 HydrophobicContact CD1-CB 3.66Å; Y818-E947 HydrophobicContact CD1-CG 4.22Å; Y818-E947 HydrophobicContact CD2-CB 3.93Å; Y818-E947 HydrophobicContact CD2-CG 3.78Å; Y818-E947 HydrophobicContact CE1-CB 3.93Å; Y818-E947 HydrophobicContact CE2-CB 4.21Å; Y818-E947 HydrophobicContact CE2-CG 4.42Å; Y818-E947 HydrophobicContact CG-CB 3.66Å; Y818-E947 HydrophobicContact CG-CG 3.69Å; R822-E947 IonicContact CZ-OE1 2.73Å; R822-E947 IonicContact CZ-OE2 2.98Å; R822-E947 IonicContact NH1-OE1 3.75Å; R822-E947 PolarHBondContact NH1-OE1 3Å; R822-E947 IonicContact NH1-OE2 2.78Å; R822-E947 PolarHBondContact NH1-OE2 2.72Å; L943-E947 PolarHBondContact O-N 2.94Å; E945-E947 PolarHBondContact O-N 2.86Å; E947-R950 PolarHBondContact O-N 3.46Å; E947-L951 HydrophobicContact CG-CD1 3.85Å; E947-L951 HydrophobicContact CG-CG 4.44Å; E947-L951 WeakPolarHBondContact O-CB 3.11Å; E947-L951 WeakPolarHBondContact O-CG 3.39Å; E947-L951 PolarHBondContact O-N 3.05Å
948T95.3Very high94.2Very high83 Ų8375.6 Ų75.651%0.50936%0.362SS..Hα-helixtrans-63.1-45.3-178.4-57.80000111.4I944 E945 N946 R950 K952I944-T948 WeakPolarHBondContact O-CB 3.36Å; I944-T948 PolarHBondContact O-N 3.11Å; I944-T948 PolarHBondContact O-OG1 2.97Å; E945-T948 PolarHBondContact O-N 2.91Å; N946-T948 PolarHBondContact O-N 3.14Å; T948-R950 PolarHBondContact O-N 3.05Å; T948-K952 WeakPolarHBondContact O-CB 3.23Å; T948-K952 PolarHBondContact O-N 2.9Å
949Q94.8Very high94.3Very high109 Ų10974.1 Ų74.151%0.50937%0.366SS..Hα-helixtrans-62.7-40.4175.8-69.5178.11300111.7E945 N946 H953E945-Q949 HydrophobicContact CG-CG 4.45Å; E945-Q949 WeakPolarHBondContact O-CB 3.35Å; E945-Q949 VanDerWaalsContact O-CG 3.31Å; E945-Q949 WeakPolarHBondContact O-CG 3.38Å; E945-Q949 PolarHBondContact O-N 3.27Å; E945-Q949 PolarHBondContact OE1-NE2 3.28Å; N946-Q949 PolarHBondContact O-N 3.12Å; Q949-H953 WeakPolarHBondContact O-CB 3.45Å; Q949-H953 PolarHBondContact O-N 3.46Å
950R94.5Very high94.5Very high139 Ų13974.3 Ų74.353%0.52537%0.368SS..Hα-helixtrans-72.4-39.6-179.6-73.9-79.1-162.6165.64.7113.2M814 Y818 N946 E947 T948 H953 L954M814-R950 HydrophobicContact CE-CB 3.83Å; Y818-R950 HydrophobicContact CE2-CB 4.33Å; Y818-R950 WeakPolarHBondContact OH-CG 3.34Å; N946-R950 VanDerWaalsContact O-CB 3.3Å; N946-R950 WeakPolarHBondContact O-CB 3.36Å; N946-R950 WeakPolarHBondContact O-CG 3.45Å; N946-R950 PolarHBondContact O-N 3.47Å; E947-R950 PolarHBondContact O-N 3.46Å; T948-R950 PolarHBondContact O-N 3.05Å; R950-H953 PolarHBondContact O-N 3.22Å; R950-L954 PolarHBondContact O-N 3.5Å
951L95.3Very high94.5Very high26 Ų2677.6 Ų77.614%0.13638%0.38CS..Hα-helixtrans-64.1-43.1172.4-71.7171.6000110.9K811 M814 K815 E947 H953 L954 D955K811-L951 HydrophobicContact CG-CD2 4.06Å; M814-L951 HydrophobicContact CB-CD2 4.03Å; K815-L951 HydrophobicContact CG-CD1 4.43Å; K815-L951 HydrophobicContact CG-CD2 4.38Å; E947-L951 HydrophobicContact CG-CD1 3.85Å; E947-L951 HydrophobicContact CG-CG 4.44Å; E947-L951 WeakPolarHBondContact O-CB 3.11Å; E947-L951 WeakPolarHBondContact O-CG 3.39Å; E947-L951 PolarHBondContact O-N 3.05Å; L951-H953 VanDerWaalsContact C-N 3.34Å; L951-H953 PolarHBondContact O-N 3.47Å; L951-L954 PolarHBondContact O-N 2.81Å; L951-D955 PolarHBondContact O-N 2.91Å
952K95.4Very high94.6Very high125 Ų12572.5 Ų72.554%0.54336%0.356SS..Hα-helixtrans-59.7-42.7173.5-177.1174.3-178.8-71.40112T948 D955 E956T948-K952 WeakPolarHBondContact O-CB 3.23Å; T948-K952 PolarHBondContact O-N 2.9Å; K952-D955 PolarHBondContact O-N 3.43Å; K952-E956 IonicContact NZ-OE1 2.67Å; K952-E956 PolarHBondContact NZ-OE1 3.16Å; K952-E956 WeakPolarHBondContact O-CG 3.33Å; K952-E956 PolarHBondContact O-N 2.98Å
953H94.9Very high94.6Very high88 Ų8873.1 Ų73.141%0.40736%0.356SS..Hα-helixtrans-66.5-36.8177.2-170.857000112.9Q949 R950 L951 D955 E956 Q957Q949-H953 WeakPolarHBondContact O-CB 3.45Å; Q949-H953 PolarHBondContact O-N 3.46Å; R950-H953 PolarHBondContact O-N 3.22Å; L951-H953 VanDerWaalsContact C-N 3.34Å; L951-H953 PolarHBondContact O-N 3.47Å; H953-D955 VanDerWaalsContact C-N 3.34Å; H953-E956 IonicContact ND1-OE2 2.72Å; H953-E956 PolarHBondContact O-N 2.82Å; H953-Q957 PolarHBondContact CD2-NE2 3.24Å; H953-Q957 VanDerWaalsContact CD2-NE2 3.34Å; H953-Q957 PolarHBondContact NE2-NE2 3.39Å; H953-Q957 WeakPolarHBondContact O-CB 3.38Å; H953-Q957 WeakPolarHBondContact O-CG 3.43Å; H953-Q957 PolarHBondContact O-N 2.7Å
954L94.8Very high94.7Very high24 Ų2476.3 Ų76.313%0.12637%0.37CS..Hα-helixtrans-64.5-38.9173.7-178.266.3000111.9L810 K811 M814 R950 L951 Q957 H958L810-L954 HydrophobicContact CB-CD1 4.35Å; L810-L954 HydrophobicContact CB-CD2 4.11Å; K811-L954 HydrophobicContact CB-CD2 4.04Å; M814-L954 HydrophobicContact CG-CD2 4.21Å; R950-L954 PolarHBondContact O-N 3.5Å; L951-L954 PolarHBondContact O-N 2.81Å; L954-Q957 PolarHBondContact O-N 3.18Å; L954-H958 WeakPolarHBondContact O-CB 3.42Å; L954-H958 PolarHBondContact O-N 3.24Å
955D95.7Very high94.7Very high57 Ų5773.2 Ų73.231%0.30535%0.353SS..Hα-helixtrans-65.5-41.4175-68.8-4.7000111.5H807 K811 L951 K952 H953 H958 A959H807-D955 IonicContact CE1-OD1 2.83Å; H807-D955 PolarHBondContact CE1-OD1 2.96Å; H807-D955 IonicContact NE2-OD1 3.71Å; H807-D955 PolarHBondContact NE2-OD1 3.35Å; K811-D955 WeakPolarHBondContact CE-OD1 3.31Å; K811-D955 IonicContact NZ-OD1 3.81Å; K811-D955 PolarHBondContact NZ-OD1 2.9Å; K811-D955 IonicContact NZ-OD2 3.62Å; K811-D955 PolarHBondContact NZ-OD2 3.42Å; L951-D955 PolarHBondContact O-N 2.91Å; K952-D955 PolarHBondContact O-N 3.43Å; H953-D955 VanDerWaalsContact C-N 3.34Å; D955-H958 PolarHBondContact O-N 2.93Å; D955-A959 WeakPolarHBondContact O-CB 3.49Å; D955-A959 PolarHBondContact O-N 3.35Å
956E96.4Very high94.7Very high93 Ų9376.4 Ų76.444%0.43536%0.361SS..Hα-helixtrans-64.5-44.2174.4-72.8167175.800112.5K952 H953 A959 Q960K952-E956 IonicContact NZ-OE1 2.67Å; K952-E956 PolarHBondContact NZ-OE1 3.16Å; K952-E956 WeakPolarHBondContact O-CG 3.33Å; K952-E956 PolarHBondContact O-N 2.98Å; H953-E956 IonicContact ND1-OE2 2.72Å; H953-E956 PolarHBondContact O-N 2.82Å; E956-A959 PolarHBondContact O-N 3.46Å; E956-Q960 PolarHBondContact O-N 3.47Å
957Q94.3Very high94.6Very high88 Ų8877.3 Ų77.341%0.41136%0.363SS..Hα-helixtrans-60.1-47.4175.1-77.1-174.9500111.4H953 L954 Q960 Q961H953-Q957 PolarHBondContact CD2-NE2 3.24Å; H953-Q957 VanDerWaalsContact CD2-NE2 3.34Å; H953-Q957 PolarHBondContact NE2-NE2 3.39Å; H953-Q957 WeakPolarHBondContact O-CB 3.38Å; H953-Q957 WeakPolarHBondContact O-CG 3.43Å; H953-Q957 PolarHBondContact O-N 2.7Å; L954-Q957 PolarHBondContact O-N 3.18Å; Q957-Q960 PolarHBondContact O-N 3Å; Q957-Q961 WeakPolarHBondContact O-CG 3.37Å; Q957-Q961 PolarHBondContact O-N 3.35Å
958H95.1Very high94.4Very high22 Ų2281.6 Ų81.610%0.10238%0.383CS..Hα-helixtrans-64.4-40.8178.1170.9-118.7000112.1H807 L954 D955 Q960 Q961 M962H807-H958 HydrophobicContact CB-CB 4.26Å; H807-H958 AromaticContact CD2-CE1 3.67Å; H807-H958 AromaticContact CD2-CG 3.82Å; H807-H958 AromaticContact CD2-ND1 3.31Å; H807-H958 PolarHBondContact CD2-ND1 3.47Å; H807-H958 VanDerWaalsContact CD2-ND1 3.31Å; H807-H958 AromaticContact CE1-CG 4Å; H807-H958 AromaticContact CE1-ND1 3.88Å; H807-H958 AromaticContact CG-CD2 3.79Å; H807-H958 AromaticContact CG-CE1 3.78Å; H807-H958 AromaticContact CG-CG 3.34Å; H807-H958 AromaticContact CG-ND1 3.35Å; H807-H958 VanDerWaalsContact CG-ND1 3.35Å; H807-H958 VanDerWaalsContact ND1-CB 3.31Å; H807-H958 WeakPolarHBondContact ND1-CB 3.18Å; H807-H958 AromaticContact ND1-CG 3.49Å; H807-H958 AromaticContact ND1-ND1 3.73Å; H807-H958 AromaticContact NE2-ND1 3.66Å; L954-H958 WeakPolarHBondContact O-CB 3.42Å; L954-H958 PolarHBondContact O-N 3.24Å; D955-H958 PolarHBondContact O-N 2.93Å; H958-Q960 VanDerWaalsContact C-N 3.29Å; H958-Q960 PolarHBondContact O-N 3.44Å; H958-Q961 PolarHBondContact O-N 2.95Å; H958-M962 VanDerWaalsContact NE2-CG 3.33Å; H958-M962 WeakPolarHBondContact NE2-CG 3.41Å; H958-M962 WeakPolarHBondContact O-CB 3.38Å; H958-M962 WeakPolarHBondContact O-CG 3.45Å; H958-M962 PolarHBondContact O-N 2.92Å
959A95.8Very high94.1Very high60 Ų6078.4 Ų78.450%0.49636%0.363SS..Hα-helixtrans-60.2-38.2174.700000112.5D955 E956 K963D955-A959 WeakPolarHBondContact O-CB 3.49Å; D955-A959 PolarHBondContact O-N 3.35Å; E956-A959 PolarHBondContact O-N 3.46Å; A959-K963 WeakPolarHBondContact O-CB 3.5Å; A959-K963 PolarHBondContact O-N 3.21Å; A959-K963 VanDerWaalsContact O-N 3.12Å
960Q95.3Very high93.7Very high82 Ų8279.4 Ų79.438%0.38336%0.362SS..Hα-helixtrans-70.9-42174.4179.261.122.700112.1E956 Q957 H958 M962 K963 E964E956-Q960 PolarHBondContact O-N 3.47Å; Q957-Q960 PolarHBondContact O-N 3Å; H958-Q960 VanDerWaalsContact C-N 3.29Å; H958-Q960 PolarHBondContact O-N 3.44Å; Q960-M962 PolarHBondContact O-N 3.43Å; Q960-K963 WeakPolarHBondContact O-CB 3.46Å; Q960-K963 PolarHBondContact O-N 2.85Å; Q960-E964 PolarHBondContact NE2-OE1 2.86Å; Q960-E964 WeakPolarHBondContact O-CG 3.47Å; Q960-E964 PolarHBondContact O-N 3.02Å
961Q93.5Very high93.3Very high102 Ų10276.9 Ų76.948%0.47736%0.362SS..Hα-helixtrans-59.4-44.5173.9-74174.4-5.600112Q957 H958 K963 E964 W965Q957-Q961 WeakPolarHBondContact O-CG 3.37Å; Q957-Q961 PolarHBondContact O-N 3.35Å; H958-Q961 PolarHBondContact O-N 2.95Å; Q961-K963 VanDerWaalsContact C-N 3.32Å; Q961-K963 PolarHBondContact O-N 2.9Å; Q961-E964 PolarHBondContact O-N 2.92Å; Q961-W965 WeakPolarHBondContact O-CB 3.33Å; Q961-W965 PolarHBondContact O-N 3.25Å
962M94.6Very high92.9Very high16 Ų1679.2 Ų79.28%0.07937%0.369CS..Hα-helixtrans-63.8-36.2176.3-73.5-53.6-6000112.6E800 L803 H958 Q960 W965 R966E800-M962 HydrophobicContact CG-CE 3.71Å; E800-M962 WeakPolarHBondContact OE1-CE 3.39Å; L803-M962 HydrophobicContact CB-SD 3.65Å; L803-M962 HydrophobicContact CD1-SD 3.7Å; L803-M962 HydrophobicContact CG-SD 4.3Å; H958-M962 VanDerWaalsContact NE2-CG 3.33Å; H958-M962 WeakPolarHBondContact NE2-CG 3.41Å; H958-M962 WeakPolarHBondContact O-CB 3.38Å; H958-M962 WeakPolarHBondContact O-CG 3.45Å; H958-M962 PolarHBondContact O-N 2.92Å; Q960-M962 PolarHBondContact O-N 3.43Å; M962-W965 HydrophobicContact CE-CE3 3.88Å; M962-W965 HydrophobicContact CE-CZ3 4.19Å; M962-R966 WeakPolarHBondContact O-CB 3.4Å; M962-R966 WeakPolarHBondContact O-CG 3.32Å; M962-R966 PolarHBondContact O-N 3.06Å
963K94.6Very high92.3Very high136 Ų13677.8 Ų77.859%0.59136%0.363SS*.Hα-helixtrans-67.2-41.9174.5175.9-178.7164.4-1600112.1A959 Q960 Q961 R966 E967A959-K963 WeakPolarHBondContact O-CB 3.5Å; A959-K963 PolarHBondContact O-N 3.21Å; A959-K963 VanDerWaalsContact O-N 3.12Å; Q960-K963 WeakPolarHBondContact O-CB 3.46Å; Q960-K963 PolarHBondContact O-N 2.85Å; Q961-K963 VanDerWaalsContact C-N 3.32Å; Q961-K963 PolarHBondContact O-N 2.9Å; K963-R966 PolarHBondContact O-N 3.47Å; K963-E967 PolarHBondContact O-N 3.23Å; K963-E967 VanDerWaalsContact O-N 3.15Å
964E93.4Very high91.7Very high96 Ų9679.4 Ų79.445%0.44937%0.369SS..Hα-helixtrans-66.3-46.2175.4-73.3173.8-162.200111.9Q960 Q961 R966 E967 Q968Q960-E964 PolarHBondContact NE2-OE1 2.86Å; Q960-E964 WeakPolarHBondContact O-CG 3.47Å; Q960-E964 PolarHBondContact O-N 3.02Å; Q961-E964 PolarHBondContact O-N 2.92Å; E964-R966 VanDerWaalsContact C-N 3.33Å; E964-R966 PolarHBondContact O-N 3.05Å; E964-E967 PolarHBondContact O-N 3.19Å; E964-Q968 WeakPolarHBondContact O-CG 3.21Å; E964-Q968 PolarHBondContact O-N 3.19Å
965W94.4Very high90.9Very high22 Ų2280.4 Ų80.48%0.08338%0.381CS..Hα-helixtrans-59.6-41.1175.3176.383.8000111.8W796 E799 E800 L803 Q961 M962 E967 Q968 L969W796-W965 HydrophobicContact CB-CZ2 4.38Å; W796-W965 WeakPolarHBondContact O-CZ2 3.44Å; E799-W965 HydrophobicContact CB-CZ2 3.92Å; E799-W965 PolarHBondContact OE2-NE1 3.21Å; E800-W965 HydrophobicContact CB-CH2 3.58Å; E800-W965 HydrophobicContact CB-CZ2 4.19Å; E800-W965 HydrophobicContact CB-CZ3 3.86Å; E800-W965 VanDerWaalsContact CD-CZ3 3.5Å; E800-W965 HydrophobicContact CG-CH2 4.29Å; E800-W965 HydrophobicContact CG-CZ3 4.08Å; L803-W965 HydrophobicContact CD1-CB 3.98Å; L803-W965 HydrophobicContact CD1-CD2 3.95Å; L803-W965 HydrophobicContact CD1-CG 3.62Å; Q961-W965 WeakPolarHBondContact O-CB 3.33Å; Q961-W965 PolarHBondContact O-N 3.25Å; M962-W965 HydrophobicContact CE-CE3 3.88Å; M962-W965 HydrophobicContact CE-CZ3 4.19Å; W965-E967 PolarHBondContact O-N 3.44Å; W965-Q968 PolarHBondContact O-N 3.32Å; W965-L969 HydrophobicContact CH2-CD2 3.59Å; W965-L969 HydrophobicContact CZ2-CD2 4.08Å; W965-L969 HydrophobicContact CZ3-CD2 3.94Å; W965-L969 WeakPolarHBondContact O-CB 3.42Å; W965-L969 PolarHBondContact O-N 3.33Å
966R92.8Very high89.7Confident146 Ų14678.4 Ų78.455%0.55137%0.371SS*.Hα-helixtrans-64.9-35.4176.1-76.3171.6-179.8-173.8-1.1113.3E800 M962 K963 E964 R970E800-R966 IonicContact OE1-CZ 2.72Å; E800-R966 IonicContact OE1-NE 2.65Å; E800-R966 PolarHBondContact OE1-NE 3.16Å; E800-R966 IonicContact OE1-NH2 2.74Å; E800-R966 PolarHBondContact OE1-NH2 3.43Å; M962-R966 WeakPolarHBondContact O-CB 3.4Å; M962-R966 WeakPolarHBondContact O-CG 3.32Å; M962-R966 PolarHBondContact O-N 3.06Å; K963-R966 PolarHBondContact O-N 3.47Å; E964-R966 VanDerWaalsContact C-N 3.33Å; E964-R966 PolarHBondContact O-N 3.05Å; R966-R970 PolarHBondContact O-N 2.93Å
967E92.2Very high88.5Confident86 Ų8678.1 Ų78.140%0.40238%0.375SS..Hα-helixtrans-73.9-40.4174-177.253.3-149.500111.9K963 E964 W965 L969 R970 V971K963-E967 PolarHBondContact O-N 3.23Å; K963-E967 VanDerWaalsContact O-N 3.15Å; E964-E967 PolarHBondContact O-N 3.19Å; W965-E967 PolarHBondContact O-N 3.44Å; E967-L969 VanDerWaalsContact C-N 3.3Å; E967-L969 PolarHBondContact O-N 2.94Å; E967-R970 VanDerWaalsContact CD-NE 3.29Å; E967-R970 WeakPolarHBondContact O-CB 3.42Å; E967-R970 PolarHBondContact O-N 2.98Å; E967-R970 VanDerWaalsContact O-N 3.12Å; E967-R970 IonicContact OE1-CZ 3.92Å; E967-R970 VanDerWaalsContact OE1-CZ 3.23Å; E967-R970 IonicContact OE1-NE 2.92Å; E967-R970 PolarHBondContact OE1-NE 2.91Å; E967-R970 IonicContact OE1-NH2 3.48Å; E967-R970 PolarHBondContact OE1-NH2 3.43Å; E967-R970 IonicContact OE2-CZ 3.32Å; E967-R970 IonicContact OE2-NE 2.7Å; E967-R970 PolarHBondContact OE2-NE 2.93Å; E967-R970 IonicContact OE2-NH2 3.24Å; E967-V971 PolarHBondContact O-N 3.32Å
968Q90.1Very high87.3Confident114 Ų11476.8 Ų76.853%0.53338%0.376SS..Hα-helixtrans-60.7-39.7171.5-68.7178.325.400111.8E964 W965 R970 V971 R972E964-Q968 WeakPolarHBondContact O-CG 3.21Å; E964-Q968 PolarHBondContact O-N 3.19Å; W965-Q968 PolarHBondContact O-N 3.32Å; Q968-R970 VanDerWaalsContact C-N 3.34Å; Q968-V971 PolarHBondContact O-N 3.04Å; Q968-R972 WeakPolarHBondContact O-CG 3.48Å; Q968-R972 PolarHBondContact O-N 3.21Å
969L88.9Confident85.6Confident16 Ų1681.4 Ų81.48%0.08440%0.401CS..Hα-helixtrans-60.9-40.9172.5178.865.2000111.7W796 W965 E967 V971 R972 K973W796-L969 HydrophobicContact CB-CD1 3.84Å; W796-L969 HydrophobicContact CD2-CD1 3.35Å; W796-L969 HydrophobicContact CE3-CD1 3.97Å; W796-L969 HydrophobicContact CG-CD1 3.28Å; W796-L969 HydrophobicContact CZ2-CD1 4.42Å; W965-L969 HydrophobicContact CH2-CD2 3.59Å; W965-L969 HydrophobicContact CZ2-CD2 4.08Å; W965-L969 HydrophobicContact CZ3-CD2 3.94Å; W965-L969 WeakPolarHBondContact O-CB 3.42Å; W965-L969 PolarHBondContact O-N 3.33Å; E967-L969 VanDerWaalsContact C-N 3.3Å; E967-L969 PolarHBondContact O-N 2.94Å; L969-V971 VanDerWaalsContact C-N 3.29Å; L969-V971 PolarHBondContact O-N 3.42Å; L969-R972 PolarHBondContact O-N 3.03Å; L969-K973 HydrophobicContact CD1-CD 4.25Å; L969-K973 HydrophobicContact CD1-CG 4.31Å; L969-K973 HydrophobicContact CG-CD 4.11Å; L969-K973 WeakPolarHBondContact O-CB 3.49Å; L969-K973 WeakPolarHBondContact O-CG 3.35Å; L969-K973 PolarHBondContact O-N 3.42Å
970R86.6Confident83.9Confident129 Ų12979.7 Ų79.749%0.48738%0.383SS..Hα-helixtrans-62.5-35.6175-164.5-17673119.10.9112.2R966 E967 Q968 K974R966-R970 PolarHBondContact O-N 2.93Å; E967-R970 VanDerWaalsContact CD-NE 3.29Å; E967-R970 WeakPolarHBondContact O-CB 3.42Å; E967-R970 PolarHBondContact O-N 2.98Å; E967-R970 VanDerWaalsContact O-N 3.12Å; E967-R970 IonicContact OE1-CZ 3.92Å; E967-R970 VanDerWaalsContact OE1-CZ 3.23Å; E967-R970 IonicContact OE1-NE 2.92Å; E967-R970 PolarHBondContact OE1-NE 2.91Å; E967-R970 IonicContact OE1-NH2 3.48Å; E967-R970 PolarHBondContact OE1-NH2 3.43Å; E967-R970 IonicContact OE2-CZ 3.32Å; E967-R970 IonicContact OE2-NE 2.7Å; E967-R970 PolarHBondContact OE2-NE 2.93Å; E967-R970 IonicContact OE2-NH2 3.24Å; Q968-R970 VanDerWaalsContact C-N 3.34Å; R970-K974 WeakPolarHBondContact O-CG 3.44Å; R970-K974 PolarHBondContact O-N 2.83Å
971V86.4Confident82.1Confident86 Ų8680.9 Ų80.952%0.52140%0.396SS..Hα-helixtrans-71.3-46.5173.3177.10000111.2E967 Q968 L969 K974 A975E967-V971 PolarHBondContact O-N 3.32Å; Q968-V971 PolarHBondContact O-N 3.04Å; L969-V971 VanDerWaalsContact C-N 3.29Å; L969-V971 PolarHBondContact O-N 3.42Å; V971-K974 PolarHBondContact O-N 3.02Å; V971-A975 PolarHBondContact O-N 3.49Å
972R85.3Confident80Confident75 Ų7580.6 Ų80.628%0.28341%0.405SS..Hα-helixtrans-57.3-51.4176-73.8-172.7-70.1167.8-0.4111.8W796 E799 Q968 L969 K974 A975 S976W796-R972 HydrophobicContact CZ2-CB 4.48Å; E799-R972 VanDerWaalsContact CD-NH1 3.32Å; E799-R972 IonicContact OE1-CZ 2.62Å; E799-R972 IonicContact OE1-NH1 2.68Å; E799-R972 PolarHBondContact OE1-NH1 3.1Å; E799-R972 IonicContact OE1-NH2 2.66Å; E799-R972 IonicContact OE2-CZ 2.68Å; E799-R972 VanDerWaalsContact OE2-CZ 3.29Å; E799-R972 IonicContact OE2-NH1 3.13Å; E799-R972 PolarHBondContact OE2-NH1 3.47Å; E799-R972 IonicContact OE2-NH2 2.64Å; E799-R972 PolarHBondContact OE2-NH2 2.99Å; Q968-R972 WeakPolarHBondContact O-CG 3.48Å; Q968-R972 PolarHBondContact O-N 3.21Å; L969-R972 PolarHBondContact O-N 3.03Å; R972-K974 VanDerWaalsContact C-N 3.26Å; R972-K974 PolarHBondContact O-N 3.38Å; R972-A975 WeakPolarHBondContact O-CA 3.46Å; R972-A975 WeakPolarHBondContact O-CB 3.35Å; R972-A975 PolarHBondContact O-N 3.34Å; R972-S976 PolarHBondContact O-N 3.44Å; R972-S976 PolarHBondContact O-OG 3.16Å
973K84Confident77.5Confident95 Ų9586 Ų8641%0.41345%0.445SS..Hα-helixtrans-53.4-39.5176.3-79.3176.6174176.20112.8W796 L969 V977W796-K973 HydrophobicContact CE3-CD 4.34Å; W796-K973 HydrophobicContact CE3-CG 4.16Å; W796-K973 HydrophobicContact CH2-CB 4.43Å; W796-K973 HydrophobicContact CH2-CD 4.4Å; W796-K973 HydrophobicContact CH2-CG 3.42Å; W796-K973 VanDerWaalsContact CH2-CG 3.42Å; W796-K973 HydrophobicContact CZ2-CG 3.99Å; W796-K973 HydrophobicContact CZ3-CD 4.02Å; W796-K973 HydrophobicContact CZ3-CG 3.53Å; L969-K973 HydrophobicContact CD1-CD 4.25Å; L969-K973 HydrophobicContact CD1-CG 4.31Å; L969-K973 HydrophobicContact CG-CD 4.11Å; L969-K973 WeakPolarHBondContact O-CB 3.49Å; L969-K973 WeakPolarHBondContact O-CG 3.35Å; L969-K973 PolarHBondContact O-N 3.42Å; K973-V977 WeakPolarHBondContact O-CB 3.42Å; K973-V977 VanDerWaalsContact O-CG2 3.27Å; K973-V977 WeakPolarHBondContact O-CG2 3.45Å; K973-V977 PolarHBondContact O-N 3.05Å; K973-V977 VanDerWaalsContact O-N 3.11Å
974K81.6Confident76.6Confident122 Ų12283.6 Ų83.653%0.5344%0.438SS..Hα-helixtrans-68.4-42.2174.4-74.1175179-178.50112.9R970 V971 R972 S978R970-K974 WeakPolarHBondContact O-CG 3.44Å; R970-K974 PolarHBondContact O-N 2.83Å; V971-K974 PolarHBondContact O-N 3.02Å; R972-K974 VanDerWaalsContact C-N 3.26Å; R972-K974 PolarHBondContact O-N 3.38Å; K974-S978 WeakPolarHBondContact O-CB 3.36Å; K974-S978 PolarHBondContact O-N 3Å; K974-S978 PolarHBondContact O-OG 2.7Å
975A76.9Confident75.7Confident46 Ų4682.9 Ų82.938%0.3844%0.437SS..Hα-helixtrans-62.1-48.217800000111.1V971 R972 V977 S978 L979V971-A975 PolarHBondContact O-N 3.49Å; R972-A975 WeakPolarHBondContact O-CA 3.46Å; R972-A975 WeakPolarHBondContact O-CB 3.35Å; R972-A975 PolarHBondContact O-N 3.34Å; A975-V977 PolarHBondContact O-N 2.85Å; A975-S978 PolarHBondContact O-N 2.61Å; A975-S978 VanDerWaalsContact O-N 3.1Å; A975-S978 PolarHBondContact O-OG 3.42Å; A975-L979 WeakPolarHBondContact O-CG 3.26Å; A975-L979 PolarHBondContact O-N 3.02Å
976S71.6Confident74.7Confident14 Ų1486.3 Ų86.310%0.09846%0.457CS..Hα-helixtrans-63-42.3178.6-510000112.5E792 R972 S978 L979 L980E792-S976 VanDerWaalsContact CD-OG 3.22Å; E792-S976 VanDerWaalsContact OE1-CB 3.26Å; E792-S976 WeakPolarHBondContact OE1-CB 3.46Å; E792-S976 PolarHBondContact OE1-OG 2.99Å; E792-S976 WeakPolarHBondContact OE2-CB 3.32Å; E792-S976 PolarHBondContact OE2-OG 3.1Å; E792-S976 VanDerWaalsContact OE2-OG 3.14Å; R972-S976 PolarHBondContact O-N 3.44Å; R972-S976 PolarHBondContact O-OG 3.16Å; S976-S978 VanDerWaalsContact C-N 3.34Å; S976-S978 PolarHBondContact O-N 2.7Å; S976-L979 PolarHBondContact O-N 3.48Å; S976-L980 WeakPolarHBondContact O-CB 3.31Å; S976-L980 VanDerWaalsContact O-CG 3.25Å; S976-L980 WeakPolarHBondContact O-CG 3.42Å; S976-L980 PolarHBondContact O-N 3.43Å
977V71.1Confident73.6Confident87 Ų8782.8 Ų82.853%0.52745%0.451SS..Hα-helixtrans-58.9-44.9171168.90000111.2K973 A975 L979 L980 T981K973-V977 WeakPolarHBondContact O-CB 3.42Å; K973-V977 VanDerWaalsContact O-CG2 3.27Å; K973-V977 WeakPolarHBondContact O-CG2 3.45Å; K973-V977 PolarHBondContact O-N 3.05Å; K973-V977 VanDerWaalsContact O-N 3.11Å; A975-V977 PolarHBondContact O-N 2.85Å; V977-L979 VanDerWaalsContact C-N 3.32Å; V977-L979 PolarHBondContact O-N 3.09Å; V977-L980 PolarHBondContact O-N 3.42Å; V977-T981 WeakPolarHBondContact O-CG2 3.45Å; V977-T981 PolarHBondContact O-N 3.17Å; V977-T981 PolarHBondContact O-OG1 3.04Å
978S68.3Low72.5Confident60 Ų6082.6 Ų82.642%0.4245%0.454SS..Hα-helixtrans-65.8-32.5-179.471.30000113.7K974 A975 S976 T981 S982K974-S978 WeakPolarHBondContact O-CB 3.36Å; K974-S978 PolarHBondContact O-N 3Å; K974-S978 PolarHBondContact O-OG 2.7Å; A975-S978 PolarHBondContact O-N 2.61Å; A975-S978 VanDerWaalsContact O-N 3.1Å; A975-S978 PolarHBondContact O-OG 3.42Å; S976-S978 VanDerWaalsContact C-N 3.34Å; S976-S978 PolarHBondContact O-N 2.7Å; S978-T981 WeakPolarHBondContact CA-OG1 3.44Å; S978-T981 PolarHBondContact O-OG1 3.26Å; S978-T981 VanDerWaalsContact O-OG1 3.1Å; S978-S982 WeakPolarHBondContact O-CB 3.36Å; S978-S982 PolarHBondContact O-N 3.05Å; S978-S982 PolarHBondContact O-OG 2.78Å
979L61.2Low71.3Confident120 Ų12080.5 Ų80.563%0.62845%0.449SS*.Hα-helixtrans-68.2-46.3172.4-72.2164.5000110.8A975 S976 V977 T981 S982A975-L979 WeakPolarHBondContact O-CG 3.26Å; A975-L979 PolarHBondContact O-N 3.02Å; S976-L979 PolarHBondContact O-N 3.48Å; V977-L979 VanDerWaalsContact C-N 3.32Å; V977-L979 PolarHBondContact O-N 3.09Å; L979-T981 PolarHBondContact O-N 3.04Å; L979-S982 PolarHBondContact O-N 2.71Å
980L59.9Low70Confident23 Ų2385.1 Ų85.112%0.1248%0.475CS..Hα-helixtrans-67-17.6177.9-66.7166.7000113.9Q785 I788 R789 S976 V977Q785-L980 HydrophobicContact CB-CD2 4.06Å; Q785-L980 HydrophobicContact CG-CD2 3.84Å; Q785-L980 PolarHBondContact NE2-O 3.23Å; I788-L980 HydrophobicContact CG2-CD2 4.2Å; R789-L980 HydrophobicContact CG-CD1 3.85Å; S976-L980 WeakPolarHBondContact O-CB 3.31Å; S976-L980 VanDerWaalsContact O-CG 3.25Å; S976-L980 WeakPolarHBondContact O-CG 3.42Å; S976-L980 PolarHBondContact O-N 3.43Å; V977-L980 PolarHBondContact O-N 3.42Å
981T57.1Low68.8Low107 Ų10781.7 Ų81.766%0.65647%0.474SS*.THydrogen-bonded Turntrans-95.90.2171.256.90000114V977 S978 L979V977-T981 WeakPolarHBondContact O-CG2 3.45Å; V977-T981 PolarHBondContact O-N 3.17Å; V977-T981 PolarHBondContact O-OG1 3.04Å; S978-T981 WeakPolarHBondContact CA-OG1 3.44Å; S978-T981 PolarHBondContact O-OG1 3.26Å; S978-T981 VanDerWaalsContact O-OG1 3.1Å; L979-T981 PolarHBondContact O-N 3.04Å
982S48.3Very low67.3Low96 Ų9681.3 Ų81.367%0.67147%0.47SS*.  trans-108.914.9-178.6-58.50000112.9S978 L979S978-S982 WeakPolarHBondContact O-CB 3.36Å; S978-S982 PolarHBondContact O-N 3.05Å; S978-S982 PolarHBondContact O-OG 2.78Å; L979-S982 PolarHBondContact O-N 2.71Å
983S42.3Very low65.7Low131 Ų13181.9 Ų81.992%0.91649%0.487SS*.  trans-143.80179.5-63.50000110

Retrieved 983 of 983 residues in 325.4 ms (Link to these results)

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