A0A087XKC9_POEFO Loading...

Signal transducing adaptor family member 2b

AlphaFold DB , UniProt , Accession A0A087XKC9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 391 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
1M33.4Very low45.8Very low241 Ų241144.1 Ų144.1100%1.18769%0.685SS**  0114.70-65.3-170.2-171.900107.9R3M1-R3 PolarHBondContact O-N 3.33Å
2A30.5Very low47.5Very low102 Ų102134.7 Ų134.784%0.84364%0.642SS**  trans-69.5118.5-172.800000110.7R4A2-R4 PolarHBondContact O-N 3.23Å
3R35.7Very low49.1Very low228 Ų228128 Ų12886%0.8662%0.616SS**  trans-65114.8169.5-70.7-170.5175.2-137.71.2107.5M1 N5M1-R3 PolarHBondContact O-N 3.33Å; R3-N5 PolarHBondContact O-N 3.23Å
4R40.9Very low51.2Low245 Ų245125.4 Ų125.493%0.92561%0.607SS**  trans-71.7119168.6-78.3179.7176.2167-1106.8A2 G6A2-R4 PolarHBondContact O-N 3.23Å; R4-G6 PolarHBondContact O-N 3.09Å
5N36.4Very low53.6Low161 Ų161122.5 Ų122.586%0.86160%0.596SS**  trans-56.6102.7176.1-69.77.8000109.3R3R3-N5 PolarHBondContact O-N 3.23Å
6G46.5Very low55.8Low19 Ų19116.4 Ų116.420%0.19656%0.564CS.*PPolyproline II helixtrans-61.4142.9167.900000108.8R4 K8R4-G6 PolarHBondContact O-N 3.09Å; G6-K8 PolarHBondContact O-N 3Å
7R53.6Low57.9Low146 Ų146112.2 Ų112.255%0.55154%0.542SS*.PPolyproline II helixtrans-65.4132.5165.7-75.9-175.6-179175.8-1107.4Q11R7-Q11 HydrophobicContact CB-CB 4.32Å
8K57.5Low59.8Low111 Ų111110.3 Ų110.348%0.48353%0.532SS..PPolyproline II helixtrans-56.9145.5175.5-61.9-169.2174.5-158.80109.7G6 N10 Q11 E52G6-K8 PolarHBondContact O-N 3Å; K8-N10 PolarHBondContact O-N 3.25Å; K8-Q11 WeakPolarHBondContact O-CB 3.23Å; K8-Q11 PolarHBondContact O-N 2.98Å; K8-E52 CarbonylContact C-O 3.46Å; K8-E52 IonicContact NZ-OE2 3.87Å
9K56.6Low61.5Low64 Ų64105.2 Ų105.228%0.27851%0.51SS..G310 helixtrans-45-34.1175.7-169.3176.7179.2-178.20113.7Q11 L12 F46 K49 E52K9-Q11 PolarHBondContact O-N 2.71Å; K9-L12 HydrophobicContact CG-CD1 4.47Å; K9-L12 PolarHBondContact O-N 2.97Å; K9-F46 HydrophobicContact CB-CE1 4.49Å; K9-F46 HydrophobicContact CG-CZ 4.41Å; K9-K49 PolarHBondContact NZ-O 3.32Å; K9-E52 PolarHBondContact N-O 2.85Å
10N53.9Low63Low152 Ų152103.7 Ų103.781%0.81350%0.5SS*.G310 helixtrans-73.4-3.4178.1-56.6-2.5000114.8K8K8-N10 PolarHBondContact O-N 3.25Å
11Q58.8Low64.3Low116 Ų11698.8 Ų98.854%0.54248%0.476SS..G310 helixtrans-112.39.8178.2-59.7-179.4-2.700112.2R7 K8 K9R7-Q11 HydrophobicContact CB-CB 4.32Å; K8-Q11 WeakPolarHBondContact O-CB 3.23Å; K8-Q11 PolarHBondContact O-N 2.98Å; K9-Q11 PolarHBondContact O-N 2.71Å
12L65.7Low67Low31 Ų3190.6 Ų90.616%0.16244%0.435CS..SBendtrans-81.5148.4177.3-64.6177.9000110.3K9 C39 F44 F46K9-L12 HydrophobicContact CG-CD1 4.47Å; K9-L12 PolarHBondContact O-N 2.97Å; L12-C39 HydrophobicContact CB-CB 4.49Å; L12-F44 HydrophobicContact CD1-CB 4.49Å; L12-F44 HydrophobicContact CD1-CD2 4.28Å; L12-F44 HydrophobicContact CD1-CG 4.18Å; L12-F44 HydrophobicContact CD2-CD1 3.94Å; L12-F44 HydrophobicContact CD2-CD2 4.19Å; L12-F44 HydrophobicContact CD2-CE1 3.63Å; L12-F44 HydrophobicContact CD2-CE2 3.92Å; L12-F44 HydrophobicContact CD2-CG 4.21Å; L12-F44 HydrophobicContact CD2-CZ 3.62Å; L12-F46 HydrophobicContact CD1-CZ 3.88Å
13P68.6Low69.7Low48 Ų4886.5 Ų86.531%0.31240%0.398SS..  trans-57.5167.4171.2-20.532000111.9L15 C39P13-L15 PolarHBondContact O-N 2.81Å; P13-C39 HydrophobicContact CB-CB 4.35Å; P13-C39 WeakPolarHBondContact O-CB 3.16Å; P13-C39 PolarHBondContact O-SG 2.85Å; P13-C39 VanDerWaalsContact O-SG 3.4Å
14D78.8Confident72Confident92 Ų9279.8 Ų79.849%0.49237%0.373SS..  trans-40.6123.6178.2-71.9-22.3000112.8Y16 C39D14-Y16 HydrophobicContact CB-CE1 4.06Å; D14-Y16 PolarHBondContact O-N 3.39Å; D14-C39 WeakPolarHBondContact O-CA 3.38Å
15L87.6Confident73.3Confident82 Ų8268.8 Ų68.843%0.42933%0.333SS..EExtended strand (participates in β ladder)trans-78.4118.3178.7179.567000109.3P13 E18 C37P13-L15 PolarHBondContact O-N 2.81Å; L15-E18 HydrophobicContact CD1-CB 4.27Å; L15-E18 HydrophobicContact CD2-CB 4.34Å; L15-E18 HydrophobicContact CD2-CG 4.08Å; L15-C37 HydrophobicContact CD1-CB 3.61Å
16Y88.1Confident74.5Confident24 Ų2470.2 Ų70.29%0.09433%0.332CS..EExtended strand (participates in β ladder)trans-93.3-41178.7-59.9-47.3000112.5D14 L38 V110 T132 K135 E136D14-Y16 HydrophobicContact CB-CE1 4.06Å; D14-Y16 PolarHBondContact O-N 3.39Å; Y16-L38 PolarHBondContact N-O 3.15Å; Y16-V110 HydrophobicContact CD2-CG1 3.81Å; Y16-V110 HydrophobicContact CE2-CG1 4.14Å; Y16-T132 HydrophobicContact CD1-CG2 3.75Å; Y16-T132 HydrophobicContact CD2-CG2 3.93Å; Y16-T132 HydrophobicContact CE1-CG2 4.33Å; Y16-T132 HydrophobicContact CE2-CG2 4.45Å; Y16-T132 HydrophobicContact CG-CG2 3.54Å; Y16-K135 HydrophobicContact CE1-CB 3.9Å; Y16-K135 HydrophobicContact CE1-CD 4.38Å; Y16-E136 HydrophobicContact CE2-CB 4.34Å; Y16-E136 PolarHBondContact OH-OE2 2.84Å; Y16-E136 VanDerWaalsContact OH-OE2 3.07Å
17Y91Very high75.2Confident46 Ų4677.6 Ų77.618%0.1836%0.359CS..EExtended strand (participates in β ladder)trans-154.9144.3-178.9-169.1-122.8000111.1L38 L102 W103 F106Y17-L38 PolarHBondContact O-N 2.61Å; Y17-L102 HydrophobicContact CE1-CB 4.17Å; Y17-L102 HydrophobicContact CE2-CD1 4.4Å; Y17-L102 WeakPolarHBondContact OH-CD1 3.36Å; Y17-W103 AromaticContact CD1-CD2 3.73Å; Y17-W103 HydrophobicContact CD1-CD2 3.73Å; Y17-W103 AromaticContact CD1-CE2 3.76Å; Y17-W103 AromaticContact CD1-CE3 3.75Å; Y17-W103 HydrophobicContact CD1-CE3 3.75Å; Y17-W103 HydrophobicContact CD1-CG 4.43Å; Y17-W103 AromaticContact CD1-CH2 3.81Å; Y17-W103 HydrophobicContact CD1-CH2 3.81Å; Y17-W103 AromaticContact CD1-CZ2 3.82Å; Y17-W103 HydrophobicContact CD1-CZ2 3.82Å; Y17-W103 AromaticContact CD1-CZ3 3.78Å; Y17-W103 HydrophobicContact CD1-CZ3 3.78Å; Y17-W103 AromaticContact CE1-CD1 3.98Å; Y17-W103 AromaticContact CE1-CD2 3.63Å; Y17-W103 HydrophobicContact CE1-CD2 3.63Å; Y17-W103 AromaticContact CE1-CE2 3.47Å; Y17-W103 VanDerWaalsContact CE1-CE2 3.47Å; Y17-W103 HydrophobicContact CE1-CE3 4.14Å; Y17-W103 AromaticContact CE1-CG 3.95Å; Y17-W103 HydrophobicContact CE1-CG 3.95Å; Y17-W103 HydrophobicContact CE1-CH2 4.32Å; Y17-W103 AromaticContact CE1-CZ2 3.85Å; Y17-W103 HydrophobicContact CE1-CZ2 3.85Å; Y17-W103 HydrophobicContact CE1-CZ3 4.46Å; Y17-W103 AromaticContact CE1-NE1 3.69Å; Y17-F106 AromaticContact CD1-CD2 3.66Å; Y17-F106 HydrophobicContact CD1-CD2 3.66Å; Y17-F106 HydrophobicContact CD1-CE2 4.09Å; Y17-F106 HydrophobicContact CD1-CG 4.31Å; Y17-F106 AromaticContact CD2-CD2 3.88Å; Y17-F106 HydrophobicContact CD2-CD2 3.88Å; Y17-F106 AromaticContact CD2-CE2 3.42Å; Y17-F106 HydrophobicContact CD2-CE2 3.42Å; Y17-F106 VanDerWaalsContact CD2-CE2 3.42Å; Y17-F106 AromaticContact CD2-CZ 3.93Å; Y17-F106 HydrophobicContact CD2-CZ 3.93Å; Y17-F106 HydrophobicContact CE1-CD2 4.21Å; Y17-F106 HydrophobicContact CE2-CD2 4.43Å; Y17-F106 AromaticContact CE2-CE2 3.93Å; Y17-F106 HydrophobicContact CE2-CE2 3.93Å; Y17-F106 AromaticContact CG-CD2 3.47Å; Y17-F106 HydrophobicContact CG-CD2 3.47Å; Y17-F106 VanDerWaalsContact CG-CD2 3.47Å; Y17-F106 AromaticContact CG-CE2 3.53Å; Y17-F106 HydrophobicContact CG-CE2 3.53Å; Y17-F106 HydrophobicContact CG-CG 4.06Å; Y17-F106 HydrophobicContact CG-CZ 4.13Å
18E92.8Very high75.7Confident78 Ų7874.5 Ų74.536%0.36435%0.353SS..EExtended strand (participates in β ladder)trans-140.3153175.958.9175.7-169.400112.3L15 W35 T36L15-E18 HydrophobicContact CD1-CB 4.27Å; L15-E18 HydrophobicContact CD2-CB 4.34Å; L15-E18 HydrophobicContact CD2-CG 4.08Å; E18-W35 HydrophobicContact CB-CZ2 3.84Å; E18-W35 HydrophobicContact CG-CH2 4.35Å; E18-W35 HydrophobicContact CG-CZ2 3.69Å; E18-W35 WeakPolarHBondContact OE2-CZ2 3.36Å; E18-W35 PolarHBondContact OE2-NE1 3.42Å; E18-T36 CarbonylContact C-O 3.53Å; E18-T36 VanDerWaalsContact CA-O 3.23Å; E18-T36 WeakPolarHBondContact CA-O 3.43Å
19G92.1Very high75.9Confident12 Ų1279.2 Ų79.212%0.12437%0.374CS..EExtended strand (participates in β ladder)trans171.8167.1177.400000112.9T36G19-T36 PolarHBondContact N-O 3.42Å; G19-T36 PolarHBondContact O-N 3.09Å
20Y91.2Very high76.7Confident75 Ų7580 Ų8029%0.29438%0.384SS..EExtended strand (participates in β ladder)trans-72.8134.2171.9-73.7-74.9000110.6K33 W35 D48 P95Y20-K33 HydrophobicContact CD1-CG 4.25Å; Y20-W35 HydrophobicContact CD1-CB 4.36Å; Y20-W35 AromaticContact CD1-CE3 3.92Å; Y20-W35 HydrophobicContact CD1-CE3 3.92Å; Y20-W35 AromaticContact CD2-CE3 3.53Å; Y20-W35 HydrophobicContact CD2-CE3 3.53Å; Y20-W35 AromaticContact CD2-CZ3 3.53Å; Y20-W35 HydrophobicContact CD2-CZ3 3.53Å; Y20-W35 HydrophobicContact CE1-CB 4.08Å; Y20-W35 AromaticContact CE1-CE3 3.83Å; Y20-W35 HydrophobicContact CE1-CE3 3.83Å; Y20-W35 AromaticContact CE2-CE3 3.42Å; Y20-W35 HydrophobicContact CE2-CE3 3.42Å; Y20-W35 VanDerWaalsContact CE2-CE3 3.42Å; Y20-W35 AromaticContact CE2-CZ3 3.47Å; Y20-W35 HydrophobicContact CE2-CZ3 3.47Å; Y20-W35 VanDerWaalsContact CE2-CZ3 3.47Å; Y20-W35 AromaticContact CG-CE3 3.78Å; Y20-W35 HydrophobicContact CG-CE3 3.78Å; Y20-W35 HydrophobicContact CG-CZ3 4.19Å; Y20-W35 AromaticContact CZ-CE3 3.57Å; Y20-D48 PolarHBondContact OH-OD1 2.87Å; Y20-P95 WeakPolarHBondContact O-CD 3.43Å
21M89.9Confident77.9Confident1 Ų175.3 Ų75.31%0.00536%0.363CS..EExtended strand (participates in β ladder)trans-145.4140.6175.5-169.3165.156.500109.1L34 T36 F45 F81 F92 W103M21-L34 PolarHBondContact N-O 3.03Å; M21-L34 PolarHBondContact O-N 2.9Å; M21-L34 VanDerWaalsContact O-O 3.05Å; M21-T36 HydrophobicContact CE-CG2 3.84Å; M21-F45 HydrophobicContact CE-CE1 4.13Å; M21-F81 HydrophobicContact SD-CE1 3.79Å; M21-F81 HydrophobicContact SD-CZ 3.51Å; M21-F81 VanDerWaalsContact SD-CZ 3.51Å; M21-F92 HydrophobicContact CE-CD1 3.51Å; M21-F92 HydrophobicContact CE-CE1 3.72Å; M21-F92 HydrophobicContact CE-CG 3.97Å; M21-F92 HydrophobicContact CE-CZ 4.35Å; M21-F92 HydrophobicContact CG-CB 4.02Å; M21-F92 HydrophobicContact CG-CD1 3.98Å; M21-F92 HydrophobicContact CG-CG 4.34Å; M21-F92 HydrophobicContact SD-CB 3.7Å; M21-F92 HydrophobicContact SD-CD1 3.77Å; M21-F92 HydrophobicContact SD-CG 3.79Å; M21-W103 HydrophobicContact CE-CD2 4.43Å; M21-W103 HydrophobicContact CE-CE3 4.45Å; M21-W103 HydrophobicContact SD-CD2 4.06Å; M21-W103 HydrophobicContact SD-CG 4.08Å
22E90.1Very high79.2Confident70 Ų7076.9 Ų76.933%0.32736%0.364SS..EExtended strand (participates in β ladder)trans-90.2129.2172.2-48-170.7160.300109.8R32 K33 F92 T93E22-R32 VanDerWaalsContact CA-O 3.28Å; E22-R32 WeakPolarHBondContact CA-O 3.39Å; E22-K33 HydrophobicContact CG-CB 4.04Å; E22-K33 HydrophobicContact CG-CG 4.31Å; E22-F92 CarbonylContact O-C 3.59Å; E22-F92 VanDerWaalsContact O-CA 3.28Å; E22-F92 WeakPolarHBondContact O-CA 3.41Å; E22-T93 PolarHBondContact N-O 2.95Å; E22-T93 PolarHBondContact O-N 3.44Å
23K88.2Confident80.3Confident15 Ų1581.6 Ų81.67%0.06538%0.383CS..EExtended strand (participates in β ladder)trans-101.5129.7175.4-179.4170.2174-87.10109.6S31 R32 L34 F45 E56 I90 F92K23-S31 WeakPolarHBondContact O-CA 3.42Å; K23-R32 PolarHBondContact N-O 3Å; K23-R32 PolarHBondContact O-N 3Å; K23-R32 VanDerWaalsContact O-N 3.15Å; K23-L34 HydrophobicContact CB-CD1 4.47Å; K23-F45 HydrophobicContact CD-CE1 4.14Å; K23-F45 HydrophobicContact CD-CE2 4.12Å; K23-F45 HydrophobicContact CD-CZ 3.93Å; K23-E56 VanDerWaalsContact CE-OE1 3.32Å; K23-E56 WeakPolarHBondContact CE-OE1 3.28Å; K23-E56 WeakPolarHBondContact CE-OE2 3.4Å; K23-E56 IonicContact NZ-OE1 3.85Å; K23-E56 PolarHBondContact NZ-OE1 3.23Å; K23-E56 IonicContact NZ-OE2 2.78Å; K23-E56 PolarHBondContact NZ-OE2 2.85Å; K23-I90 HydrophobicContact CD-CG2 4.48Å; K23-I90 HydrophobicContact CG-CG2 4.03Å; K23-F92 HydrophobicContact CB-CD1 4.15Å; K23-F92 HydrophobicContact CB-CE1 3.93Å; K23-F92 HydrophobicContact CD-CE1 4.01Å; K23-F92 HydrophobicContact CG-CD1 4.34Å; K23-F92 HydrophobicContact CG-CE1 3.8Å
24R83.4Confident81.4Confident88 Ų8879.8 Ų79.833%0.33237%0.371SS..EExtended strand (participates in β ladder)trans-125.6107.8170.2-175.6-172.7-67.4172.1-0.5108.1K91R24-K91 HydrophobicContact CB-CB 4.26Å; R24-K91 PolarHBondContact N-O 3.42Å; R24-K91 PolarHBondContact O-N 2.77Å; R24-K91 VanDerWaalsContact O-O 3.14Å
25S69.2Low82.1Confident13 Ų1377 Ų779%0.09135%0.354CS..EExtended strand (participates in β ladder)trans-80.6150.6169.6-179.40000109.3K27 D28S25-K27 PolarHBondContact O-N 3.5Å; S25-K27 PolarHBondContact OG-N 3.01Å; S25-D28 CarbonylContact O-C 3.58Å; S25-D28 PolarHBondContact O-N 2.8Å
26F60.6Low82.3Confident192 Ų19273.1 Ų73.184%0.84233%0.333SS*.SBendtrans-61.4-25.7171.6-169.4-97.1000112.2
27K61.6Low82.5Confident173 Ų17372.1 Ų72.175%0.75233%0.33SS*.SBendtrans-81.2-30.2177.7-65.4179.3-179.3172.50113.2S25S25-K27 PolarHBondContact O-N 3.5Å; S25-K27 PolarHBondContact OG-N 3.01Å
28D63.1Low82.5Confident81 Ų8169.9 Ų69.943%0.43332%0.321SS..  trans-104108.3-178.1-69.5-37.2000110.3S25 T30S25-D28 CarbonylContact O-C 3.58Å; S25-D28 PolarHBondContact O-N 2.8Å; D28-T30 PolarHBondContact O-N 3.1Å; D28-T30 VanDerWaalsContact O-N 3.09Å
29K62.7Low82.3Confident210 Ų21066.5 Ų66.591%0.91331%0.306SS*.SBendtrans-66-9.2178.5-69.4-176.2178.7-179.20114.1
30T72.5Confident82.1Confident81 Ų8166 Ų6650%0.49730%0.301SS..SBendtrans-101.9119.6-179.558.90000110.7D28D28-T30 PolarHBondContact O-N 3.1Å; D28-T30 VanDerWaalsContact O-N 3.09Å
31S79.6Confident81.9Confident53 Ų5364.8 Ų64.837%0.37130%0.297SS..  trans-70.5136.1165.546.30000109.8K23K23-S31 WeakPolarHBondContact O-CA 3.42Å
32R86Confident81.9Confident149 Ų14966.1 Ų66.156%0.56231%0.305SS*.EExtended strand (participates in β ladder)trans-123.4126.4176.3-62.7-176.1-174.6-177.52.8109.3E22 K23 L34E22-R32 VanDerWaalsContact CA-O 3.28Å; E22-R32 WeakPolarHBondContact CA-O 3.39Å; K23-R32 PolarHBondContact N-O 3Å; K23-R32 PolarHBondContact O-N 3Å; K23-R32 VanDerWaalsContact O-N 3.15Å; R32-L34 HydrophobicContact CB-CD1 4.38Å; R32-L34 HydrophobicContact CB-CG 4.28Å
33K90.1Very high81.9Confident131 Ų13162.8 Ų62.857%0.5729%0.29SS*.EExtended strand (participates in β ladder)trans-77.3119.7171.7-174.5175.9-179.3175.80109Y20 E22Y20-K33 HydrophobicContact CD1-CG 4.25Å; E22-K33 HydrophobicContact CG-CB 4.04Å; E22-K33 HydrophobicContact CG-CG 4.31Å
34L91.4Very high82.1Confident10 Ų1063 Ų635%0.05229%0.291CS..EExtended strand (participates in β ladder)trans-130.5144.9-175.8-62.7167.9000109.1M21 K23 R32 T36 F45 F46M21-L34 PolarHBondContact N-O 3.03Å; M21-L34 PolarHBondContact O-N 2.9Å; M21-L34 VanDerWaalsContact O-O 3.05Å; K23-L34 HydrophobicContact CB-CD1 4.47Å; R32-L34 HydrophobicContact CB-CD1 4.38Å; R32-L34 HydrophobicContact CB-CG 4.28Å; L34-T36 PolarHBondContact O-N 3.21Å; L34-F45 HydrophobicContact CB-CB 4.21Å; L34-F45 HydrophobicContact CB-CD1 4.23Å; L34-F45 HydrophobicContact CD1-CB 3.91Å; L34-F45 HydrophobicContact CD1-CD1 4.22Å; L34-F45 HydrophobicContact CD1-CG 4.27Å; L34-F46 CarbonylContact C-O 3.59Å; L34-F46 WeakPolarHBondContact CA-O 3.28Å; L34-F46 WeakPolarHBondContact CB-O 3.49Å; L34-F46 WeakPolarHBondContact CD2-O 3.2Å
35W92.3Very high82.5Confident33 Ų3358.8 Ų58.813%0.12528%0.275CS..EExtended strand (participates in β ladder)trans-72.9122.2166-178.1-100.1000108E18 Y20 C37 F45 F46 K49E18-W35 HydrophobicContact CB-CZ2 3.84Å; E18-W35 HydrophobicContact CG-CH2 4.35Å; E18-W35 HydrophobicContact CG-CZ2 3.69Å; E18-W35 WeakPolarHBondContact OE2-CZ2 3.36Å; E18-W35 PolarHBondContact OE2-NE1 3.42Å; Y20-W35 HydrophobicContact CD1-CB 4.36Å; Y20-W35 AromaticContact CD1-CE3 3.92Å; Y20-W35 HydrophobicContact CD1-CE3 3.92Å; Y20-W35 AromaticContact CD2-CE3 3.53Å; Y20-W35 HydrophobicContact CD2-CE3 3.53Å; Y20-W35 AromaticContact CD2-CZ3 3.53Å; Y20-W35 HydrophobicContact CD2-CZ3 3.53Å; Y20-W35 HydrophobicContact CE1-CB 4.08Å; Y20-W35 AromaticContact CE1-CE3 3.83Å; Y20-W35 HydrophobicContact CE1-CE3 3.83Å; Y20-W35 AromaticContact CE2-CE3 3.42Å; Y20-W35 HydrophobicContact CE2-CE3 3.42Å; Y20-W35 VanDerWaalsContact CE2-CE3 3.42Å; Y20-W35 AromaticContact CE2-CZ3 3.47Å; Y20-W35 HydrophobicContact CE2-CZ3 3.47Å; Y20-W35 VanDerWaalsContact CE2-CZ3 3.47Å; Y20-W35 AromaticContact CG-CE3 3.78Å; Y20-W35 HydrophobicContact CG-CE3 3.78Å; Y20-W35 HydrophobicContact CG-CZ3 4.19Å; Y20-W35 AromaticContact CZ-CE3 3.57Å; W35-C37 PolarHBondContact NE1-SG 2.73Å; W35-F45 CarbonylContact O-C 3.51Å; W35-F45 WeakPolarHBondContact O-CA 3.49Å; W35-F46 HydrophobicContact CB-CB 4.2Å; W35-F46 PolarHBondContact N-O 2.98Å; W35-F46 PolarHBondContact O-N 3.14Å; W35-K49 HydrophobicContact CD2-CB 3.89Å; W35-K49 HydrophobicContact CE3-CB 4.23Å; W35-K49 HydrophobicContact CG-CB 4.2Å; W35-K49 HydrophobicContact CZ2-CB 4.31Å
36T92.4Very high83.4Confident0 Ų058.2 Ų58.20%027%0.271CS..EExtended strand (participates in β ladder)trans-113.9130.7-175.9-50.60000109.6E18 G19 M21 L34 L43 F44 F45 W103E18-T36 CarbonylContact C-O 3.53Å; E18-T36 VanDerWaalsContact CA-O 3.23Å; E18-T36 WeakPolarHBondContact CA-O 3.43Å; G19-T36 PolarHBondContact N-O 3.42Å; G19-T36 PolarHBondContact O-N 3.09Å; M21-T36 HydrophobicContact CE-CG2 3.84Å; L34-T36 PolarHBondContact O-N 3.21Å; T36-L43 HydrophobicContact CG2-CB 4.24Å; T36-L43 HydrophobicContact CG2-CD2 3.8Å; T36-F44 CarbonylContact C-O 3.54Å; T36-F44 VanDerWaalsContact CA-O 3.32Å; T36-F44 WeakPolarHBondContact CA-O 3.49Å; T36-F45 HydrophobicContact CG2-CD1 3.8Å; T36-F45 HydrophobicContact CG2-CE1 3.56Å; T36-F45 HydrophobicContact CG2-CZ 4.23Å; T36-F45 VanDerWaalsContact OG1-CD1 3.25Å; T36-F45 WeakPolarHBondContact OG1-CD1 3.28Å; T36-F45 WeakPolarHBondContact OG1-CE1 3.36Å; T36-W103 HydrophobicContact CG2-CH2 3.84Å; T36-W103 HydrophobicContact CG2-CZ3 4.22Å; T36-W103 WeakPolarHBondContact O-CH2 3.3Å
37C92.1Very high84.8Confident3 Ų354.1 Ų54.12%0.0226%0.257CS..EExtended strand (participates in β ladder)trans-116.9130.5173.5-65.50000109L15 W35 F44 F46L15-C37 HydrophobicContact CD1-CB 3.61Å; W35-C37 PolarHBondContact NE1-SG 2.73Å; C37-F44 PolarHBondContact N-O 3.45Å; C37-F44 PolarHBondContact O-N 3.14Å; C37-F46 HydrophobicContact CB-CE2 4.06Å
38L91.8Very high86.1Confident0 Ų047.8 Ų47.80%023%0.232CC..EExtended strand (participates in β ladder)trans-96.2111.3171.8-178.966.4000109.8Y16 Y17 L43 L60 W103 F106 V110Y16-L38 PolarHBondContact N-O 3.15Å; Y17-L38 PolarHBondContact O-N 2.61Å; L38-L43 HydrophobicContact CB-CD2 3.86Å; L38-L43 HydrophobicContact CD1-CD2 3.51Å; L38-L43 HydrophobicContact CD1-CG 4Å; L38-L43 HydrophobicContact CG-CD2 4.25Å; L38-L60 HydrophobicContact CD1-CD1 3.73Å; L38-W103 HydrophobicContact CB-CZ3 4.21Å; L38-F106 HydrophobicContact CD2-CB 3.69Å; L38-F106 HydrophobicContact CD2-CG 4.49Å; L38-V110 HydrophobicContact CD1-CG2 3.99Å; L38-V110 HydrophobicContact CD2-CG1 3.88Å; L38-V110 HydrophobicContact CD2-CG2 4.13Å; L38-V110 HydrophobicContact CG-CG1 4.39Å
39C88.8Confident87.2Confident6 Ų649.4 Ų49.44%0.04124%0.235CC..EExtended strand (participates in β ladder)trans-127.1119.8179.4-61.30000109.1L12 P13 D14 K41 T42 F44L12-C39 HydrophobicContact CB-CB 4.49Å; P13-C39 HydrophobicContact CB-CB 4.35Å; P13-C39 WeakPolarHBondContact O-CB 3.16Å; P13-C39 PolarHBondContact O-SG 2.85Å; P13-C39 VanDerWaalsContact O-SG 3.4Å; D14-C39 WeakPolarHBondContact O-CA 3.38Å; C39-K41 PolarHBondContact O-N 3.46Å; C39-T42 PolarHBondContact N-O 2.86Å; C39-T42 PolarHBondContact O-N 2.86Å; C39-T42 VanDerWaalsContact O-N 3.08Å; C39-T42 VanDerWaalsContact O-O 3.06Å; C39-F44 HydrophobicContact CB-CD2 3.99Å; C39-F44 HydrophobicContact CB-CE2 3.83Å
40G86.2Confident88.2Confident2 Ų248.5 Ų48.52%0.02123%0.226CC..THydrogen-bonded Turntrans57.9-129.2-17300000111.6V110 E136G40-V110 WeakPolarHBondContact O-CB 3.44Å; G40-E136 WeakPolarHBondContact CA-OE2 3.39Å
41K86.9Confident88.7Confident49 Ų4947 Ų4721%0.21322%0.215CC..THydrogen-bonded Turntrans-9619.5174.9-56.1-165.9172.8-173.50114C39 L60 V110 E136C39-K41 PolarHBondContact O-N 3.46Å; K41-L60 VanDerWaalsContact O-CB 3.28Å; K41-L60 WeakPolarHBondContact O-CB 3.47Å; K41-L60 WeakPolarHBondContact O-CG 3.16Å; K41-L60 PolarHBondContact O-N 2.94Å; K41-V110 VanDerWaalsContact CE-O 3.31Å; K41-V110 WeakPolarHBondContact CE-O 3.48Å; K41-E136 VanDerWaalsContact CE-OE1 3.3Å; K41-E136 WeakPolarHBondContact CE-OE1 3.42Å; K41-E136 WeakPolarHBondContact CG-OE1 3.27Å
42T90.2Very high88.5Confident30 Ų3049.9 Ų49.918%0.18422%0.222CC..EExtended strand (participates in β ladder)trans-130.1133.4-173.7-54.20000110.9C39 F44 K57 L58C39-T42 PolarHBondContact N-O 2.86Å; C39-T42 PolarHBondContact O-N 2.86Å; C39-T42 VanDerWaalsContact O-N 3.08Å; C39-T42 VanDerWaalsContact O-O 3.06Å; T42-F44 HydrophobicContact CG2-CD2 4.26Å; T42-F44 HydrophobicContact CG2-CE1 4.12Å; T42-F44 HydrophobicContact CG2-CE2 3.71Å; T42-F44 HydrophobicContact CG2-CZ 3.64Å; T42-K57 HydrophobicContact CG2-CB 4.17Å; T42-L58 CarbonylContact C-O 3.55Å; T42-L58 WeakPolarHBondContact CA-O 3.28Å; T42-L58 WeakPolarHBondContact CG2-O 3.32Å
43L91.6Very high88.3Confident0 Ų047 Ų470%022%0.218CC..EExtended strand (participates in β ladder)trans-89.4126.9168.1-69.9170.3000109.2T36 L38 F45 K57 L58 L60 F92 W103 I107T36-L43 HydrophobicContact CG2-CB 4.24Å; T36-L43 HydrophobicContact CG2-CD2 3.8Å; L38-L43 HydrophobicContact CB-CD2 3.86Å; L38-L43 HydrophobicContact CD1-CD2 3.51Å; L38-L43 HydrophobicContact CD1-CG 4Å; L38-L43 HydrophobicContact CG-CD2 4.25Å; L43-F45 HydrophobicContact CB-CE2 4.07Å; L43-F45 HydrophobicContact CB-CZ 3.98Å; L43-F45 HydrophobicContact CD1-CZ 4.36Å; L43-K57 CarbonylContact O-C 3.48Å; L43-K57 VanDerWaalsContact O-CA 3.3Å; L43-K57 WeakPolarHBondContact O-CA 3.41Å; L43-L58 HydrophobicContact CB-CB 4.29Å; L43-L58 HydrophobicContact CD1-CD2 4.22Å; L43-L58 PolarHBondContact N-O 2.81Å; L43-L58 PolarHBondContact O-N 3.34Å; L43-L60 HydrophobicContact CD1-CD2 3.82Å; L43-L60 HydrophobicContact CG-CD1 4.33Å; L43-L60 HydrophobicContact CG-CD2 4.15Å; L43-L60 HydrophobicContact CG-CG 4.48Å; L43-F92 HydrophobicContact CD1-CZ 4.49Å; L43-W103 HydrophobicContact CD2-CE3 4.43Å; L43-W103 HydrophobicContact CD2-CZ3 3.71Å; L43-I107 HydrophobicContact CD1-CD1 4.15Å; L43-I107 HydrophobicContact CD1-CG1 4.39Å
44F91.1Very high88.1Confident19 Ų1943.5 Ų43.58%0.08320%0.202CC..EExtended strand (participates in β ladder)trans-108.3130174.9-65-87.5000109.3L12 T36 C37 C39 T42 F46 Y54 K57L12-F44 HydrophobicContact CD1-CB 4.49Å; L12-F44 HydrophobicContact CD1-CD2 4.28Å; L12-F44 HydrophobicContact CD1-CG 4.18Å; L12-F44 HydrophobicContact CD2-CD1 3.94Å; L12-F44 HydrophobicContact CD2-CD2 4.19Å; L12-F44 HydrophobicContact CD2-CE1 3.63Å; L12-F44 HydrophobicContact CD2-CE2 3.92Å; L12-F44 HydrophobicContact CD2-CG 4.21Å; L12-F44 HydrophobicContact CD2-CZ 3.62Å; T36-F44 CarbonylContact C-O 3.54Å; T36-F44 VanDerWaalsContact CA-O 3.32Å; T36-F44 WeakPolarHBondContact CA-O 3.49Å; C37-F44 PolarHBondContact N-O 3.45Å; C37-F44 PolarHBondContact O-N 3.14Å; C39-F44 HydrophobicContact CB-CD2 3.99Å; C39-F44 HydrophobicContact CB-CE2 3.83Å; T42-F44 HydrophobicContact CG2-CD2 4.26Å; T42-F44 HydrophobicContact CG2-CE1 4.12Å; T42-F44 HydrophobicContact CG2-CE2 3.71Å; T42-F44 HydrophobicContact CG2-CZ 3.64Å; F44-F46 HydrophobicContact CB-CE2 3.62Å; F44-F46 HydrophobicContact CB-CZ 4.02Å; F44-Y54 AromaticContact CD1-CD1 3.97Å; F44-Y54 HydrophobicContact CD1-CD1 3.97Å; F44-Y54 HydrophobicContact CD1-CD2 4.4Å; F44-Y54 HydrophobicContact CD1-CE1 4.34Å; F44-Y54 AromaticContact CD1-CG 4Å; F44-Y54 HydrophobicContact CD1-CG 4Å; F44-Y54 HydrophobicContact CE1-CD1 4.42Å; F44-Y54 HydrophobicContact CE1-CE1 4.36Å; F44-K57 HydrophobicContact CD1-CB 4.04Å; F44-K57 HydrophobicContact CE1-CB 4.15Å
45F91.5Very high87.9Confident0 Ų046.7 Ų46.70%022%0.222CC..EExtended strand (participates in β ladder)trans-111.5130.9-178.5-57.1-84.2000110.8M21 K23 L34 W35 T36 L43 Y54 V55 E56 L58 F92M21-F45 HydrophobicContact CE-CE1 4.13Å; K23-F45 HydrophobicContact CD-CE1 4.14Å; K23-F45 HydrophobicContact CD-CE2 4.12Å; K23-F45 HydrophobicContact CD-CZ 3.93Å; L34-F45 HydrophobicContact CB-CB 4.21Å; L34-F45 HydrophobicContact CB-CD1 4.23Å; L34-F45 HydrophobicContact CD1-CB 3.91Å; L34-F45 HydrophobicContact CD1-CD1 4.22Å; L34-F45 HydrophobicContact CD1-CG 4.27Å; W35-F45 CarbonylContact O-C 3.51Å; W35-F45 WeakPolarHBondContact O-CA 3.49Å; T36-F45 HydrophobicContact CG2-CD1 3.8Å; T36-F45 HydrophobicContact CG2-CE1 3.56Å; T36-F45 HydrophobicContact CG2-CZ 4.23Å; T36-F45 VanDerWaalsContact OG1-CD1 3.25Å; T36-F45 WeakPolarHBondContact OG1-CD1 3.28Å; T36-F45 WeakPolarHBondContact OG1-CE1 3.36Å; L43-F45 HydrophobicContact CB-CE2 4.07Å; L43-F45 HydrophobicContact CB-CZ 3.98Å; L43-F45 HydrophobicContact CD1-CZ 4.36Å; F45-Y54 CarbonylContact O-C 3.55Å; F45-Y54 WeakPolarHBondContact O-CA 3.43Å; F45-V55 PolarHBondContact O-N 3.34Å; F45-E56 HydrophobicContact CB-CB 4.17Å; F45-E56 HydrophobicContact CD2-CB 3.98Å; F45-E56 HydrophobicContact CD2-CG 4.22Å; F45-E56 HydrophobicContact CG-CB 4.47Å; F45-E56 PolarHBondContact N-O 3.32Å; F45-E56 PolarHBondContact O-N 3.42Å; F45-L58 HydrophobicContact CE2-CB 3.74Å; F45-L58 HydrophobicContact CZ-CB 4.39Å; F45-F92 AromaticContact CE1-CE1 3.81Å; F45-F92 HydrophobicContact CE1-CE1 3.81Å; F45-F92 HydrophobicContact CE1-CZ 4.45Å; F45-F92 AromaticContact CZ-CE1 3.73Å; F45-F92 HydrophobicContact CZ-CE1 3.73Å; F45-F92 AromaticContact CZ-CZ 3.94Å; F45-F92 HydrophobicContact CZ-CZ 3.94Å
46F89.8Confident87.6Confident1 Ų148.3 Ų48.30%0.00423%0.23CC..EExtended strand (participates in β ladder)trans-123.9157.3-179.2-55.1-98.8000109.5K9 L12 L34 W35 C37 F44 D51 D53K9-F46 HydrophobicContact CB-CE1 4.49Å; K9-F46 HydrophobicContact CG-CZ 4.41Å; L12-F46 HydrophobicContact CD1-CZ 3.88Å; L34-F46 CarbonylContact C-O 3.59Å; L34-F46 WeakPolarHBondContact CA-O 3.28Å; L34-F46 WeakPolarHBondContact CB-O 3.49Å; L34-F46 WeakPolarHBondContact CD2-O 3.2Å; W35-F46 HydrophobicContact CB-CB 4.2Å; W35-F46 PolarHBondContact N-O 2.98Å; W35-F46 PolarHBondContact O-N 3.14Å; C37-F46 HydrophobicContact CB-CE2 4.06Å; F44-F46 HydrophobicContact CB-CE2 3.62Å; F44-F46 HydrophobicContact CB-CZ 4.02Å; F46-D51 HydrophobicContact CB-CB 4.29Å; F46-D51 HydrophobicContact CD1-CB 4.25Å; F46-D53 WeakPolarHBondContact CD1-O 3.3Å
47N89Confident87.5Confident105 Ų10554.3 Ų54.356%0.56126%0.257SS*.SBendtrans-75.2-43175.9-63.1-54.4000110.7D51 V55N47-D51 WeakPolarHBondContact CA-OD2 3.46Å; N47-D51 VanDerWaalsContact CB-OD2 3.26Å; N47-D51 WeakPolarHBondContact CB-OD2 3.45Å; N47-D51 PolarHBondContact N-OD2 2.84Å; N47-D51 VanDerWaalsContact N-OD2 3.07Å; N47-V55 WeakPolarHBondContact ND2-CG2 3.25Å
48D88Confident87.3Confident41 Ų4154.7 Ų54.722%0.21926%0.258CS..SBendtrans-130.4158.8177.8-165.8-2.3000110.6Y20 R50 D51Y20-D48 PolarHBondContact OH-OD1 2.87Å; D48-R50 PolarHBondContact O-N 2.81Å; D48-R50 VanDerWaalsContact O-N 3.15Å; D48-R50 IonicContact OD2-CZ 2.84Å; D48-R50 IonicContact OD2-NE 3.83Å; D48-R50 PolarHBondContact OD2-NE 2.85Å; D48-R50 IonicContact OD2-NH2 3.52Å; D48-R50 PolarHBondContact OD2-NH2 3.39Å; D48-D51 PolarHBondContact N-OD2 2.79Å; D48-D51 WeakPolarHBondContact O-CB 3.45Å; D48-D51 PolarHBondContact O-N 3.04Å; D48-D51 VanDerWaalsContact O-N 3.16Å
49K86.4Confident87.2Confident114 Ų11458.7 Ų58.750%0.49628%0.28SS..THydrogen-bonded Turntrans-60.2-23.7177.971.4-176.3178.9174.60113.4K9 W35K9-K49 PolarHBondContact NZ-O 3.32Å; W35-K49 HydrophobicContact CD2-CB 3.89Å; W35-K49 HydrophobicContact CE3-CB 4.23Å; W35-K49 HydrophobicContact CG-CB 4.2Å; W35-K49 HydrophobicContact CZ2-CB 4.31Å
50R84.2Confident87.2Confident191 Ų19158.5 Ų58.572%0.72128%0.278SS*.THydrogen-bonded Turntrans-90.1-8.7-177.4-66.5177.6-68.2-1781.8113.3D48D48-R50 PolarHBondContact O-N 2.81Å; D48-R50 VanDerWaalsContact O-N 3.15Å; D48-R50 IonicContact OD2-CZ 2.84Å; D48-R50 IonicContact OD2-NE 3.83Å; D48-R50 PolarHBondContact OD2-NE 2.85Å; D48-R50 IonicContact OD2-NH2 3.52Å; D48-R50 PolarHBondContact OD2-NH2 3.39Å
51D82.4Confident87Confident50 Ų5062.1 Ų62.127%0.26730%0.302SS..  trans-68.7135.3-177.8-65.9-13.9000110.3F46 N47 D48F46-D51 HydrophobicContact CB-CB 4.29Å; F46-D51 HydrophobicContact CD1-CB 4.25Å; N47-D51 WeakPolarHBondContact CA-OD2 3.46Å; N47-D51 VanDerWaalsContact CB-OD2 3.26Å; N47-D51 WeakPolarHBondContact CB-OD2 3.45Å; N47-D51 PolarHBondContact N-OD2 2.84Å; N47-D51 VanDerWaalsContact N-OD2 3.07Å; D48-D51 PolarHBondContact N-OD2 2.79Å; D48-D51 WeakPolarHBondContact O-CB 3.45Å; D48-D51 PolarHBondContact O-N 3.04Å; D48-D51 VanDerWaalsContact O-N 3.16Å
52E77.1Confident86.7Confident113 Ų11361.6 Ų61.653%0.52831%0.31SS..SBendtrans-81.4-29.4175-65.5-169.3-175.500112.2K8 K9K8-E52 CarbonylContact C-O 3.46Å; K8-E52 IonicContact NZ-OE2 3.87Å; K9-E52 PolarHBondContact N-O 2.85Å
53D81.3Confident86.5Confident88 Ų8861.2 Ų61.247%0.47131%0.307SS..SBendtrans-104.4131.7-175.8-70.6-37.8000111.2F46F46-D53 WeakPolarHBondContact CD1-O 3.3Å
54Y85.3Confident86.3Confident59 Ų5965.3 Ų65.323%0.23133%0.328CS..  trans-77.4142.4171.666.6-91.8000110.8F44 F45 K57F44-Y54 AromaticContact CD1-CD1 3.97Å; F44-Y54 HydrophobicContact CD1-CD1 3.97Å; F44-Y54 HydrophobicContact CD1-CD2 4.4Å; F44-Y54 HydrophobicContact CD1-CE1 4.34Å; F44-Y54 AromaticContact CD1-CG 4Å; F44-Y54 HydrophobicContact CD1-CG 4Å; F44-Y54 HydrophobicContact CE1-CD1 4.42Å; F44-Y54 HydrophobicContact CE1-CE1 4.36Å; F45-Y54 CarbonylContact O-C 3.55Å; F45-Y54 WeakPolarHBondContact O-CA 3.43Å; Y54-K57 HydrophobicContact CD2-CB 4.19Å; Y54-K57 HydrophobicContact CE2-CB 3.99Å; Y54-K57 HydrophobicContact CE2-CD 4.08Å; Y54-K57 HydrophobicContact CE2-CG 4.13Å
55V86.7Confident86Confident77 Ų7765.9 Ų65.947%0.46734%0.335SS..SBendtrans-81.4-41.4175.4-177.10000110.4F45 N47F45-V55 PolarHBondContact O-N 3.34Å; N47-V55 WeakPolarHBondContact ND2-CG2 3.25Å
56E86.8Confident85.8Confident66 Ų6667.2 Ų67.231%0.30834%0.343SS..EExtended strand (participates in β ladder)trans-142.7152.2-176.1-169.8175.717800110.4K23 F45K23-E56 VanDerWaalsContact CE-OE1 3.32Å; K23-E56 WeakPolarHBondContact CE-OE1 3.28Å; K23-E56 WeakPolarHBondContact CE-OE2 3.4Å; K23-E56 IonicContact NZ-OE1 3.85Å; K23-E56 PolarHBondContact NZ-OE1 3.23Å; K23-E56 IonicContact NZ-OE2 2.78Å; K23-E56 PolarHBondContact NZ-OE2 2.85Å; F45-E56 HydrophobicContact CB-CB 4.17Å; F45-E56 HydrophobicContact CD2-CB 3.98Å; F45-E56 HydrophobicContact CD2-CG 4.22Å; F45-E56 HydrophobicContact CG-CB 4.47Å; F45-E56 PolarHBondContact N-O 3.32Å; F45-E56 PolarHBondContact O-N 3.42Å
57K89.9Confident85.6Confident127 Ų12770.5 Ų70.555%0.55236%0.363SS*.EExtended strand (participates in β ladder)trans-130.6140.5170.369.5178.3-174.7176.30110T42 L43 F44 Y54T42-K57 HydrophobicContact CG2-CB 4.17Å; L43-K57 CarbonylContact O-C 3.48Å; L43-K57 VanDerWaalsContact O-CA 3.3Å; L43-K57 WeakPolarHBondContact O-CA 3.41Å; F44-K57 HydrophobicContact CD1-CB 4.04Å; F44-K57 HydrophobicContact CE1-CB 4.15Å; Y54-K57 HydrophobicContact CD2-CB 4.19Å; Y54-K57 HydrophobicContact CE2-CB 3.99Å; Y54-K57 HydrophobicContact CE2-CD 4.08Å; Y54-K57 HydrophobicContact CE2-CG 4.13Å
58L88.8Confident85.5Confident10 Ų1068.6 Ų68.65%0.05235%0.353CS..EExtended strand (participates in β ladder)trans-124.2115.2176.1175.866.3000109.2T42 L43 F45 M85 I90 F92T42-L58 CarbonylContact C-O 3.55Å; T42-L58 WeakPolarHBondContact CA-O 3.28Å; T42-L58 WeakPolarHBondContact CG2-O 3.32Å; L43-L58 HydrophobicContact CB-CB 4.29Å; L43-L58 HydrophobicContact CD1-CD2 4.22Å; L43-L58 PolarHBondContact N-O 2.81Å; L43-L58 PolarHBondContact O-N 3.34Å; F45-L58 HydrophobicContact CE2-CB 3.74Å; F45-L58 HydrophobicContact CZ-CB 4.39Å; L58-M85 HydrophobicContact CD2-CE 4.36Å; L58-M85 HydrophobicContact CG-CE 4.49Å; L58-I90 HydrophobicContact CD1-CD1 3.49Å; L58-I90 VanDerWaalsContact CD1-CD1 3.49Å; L58-I90 HydrophobicContact CD2-CD1 3.44Å; L58-I90 VanDerWaalsContact CD2-CD1 3.44Å; L58-I90 HydrophobicContact CG-CD1 4.1Å; L58-F92 HydrophobicContact CD2-CE2 4.36Å; L58-F92 HydrophobicContact CD2-CZ 3.88Å
59D89.4Confident85Confident85 Ų8567.6 Ų67.646%0.45535%0.347SS..EExtended strand (participates in β ladder)trans-81.1127.3174-173.87.2000109.7C61D59-C61 PolarHBondContact O-N 2.95Å; D59-C61 WeakPolarHBondContact OD1-CB 3.39Å; D59-C61 PolarHBondContact OD1-N 3.13Å; D59-C61 VanDerWaalsContact OD1-N 3.1Å; D59-C61 PolarHBondContact OD1-SG 3.1Å
60L88.9Confident84Confident2 Ų267.2 Ų67.21%0.0136%0.359CS..  trans-84.83.4-179.5-53.7173.8000112.1L38 K41 L43 G62 L63 M85 I107 V110 A111L38-L60 HydrophobicContact CD1-CD1 3.73Å; K41-L60 VanDerWaalsContact O-CB 3.28Å; K41-L60 WeakPolarHBondContact O-CB 3.47Å; K41-L60 WeakPolarHBondContact O-CG 3.16Å; K41-L60 PolarHBondContact O-N 2.94Å; L43-L60 HydrophobicContact CD1-CD2 3.82Å; L43-L60 HydrophobicContact CG-CD1 4.33Å; L43-L60 HydrophobicContact CG-CD2 4.15Å; L43-L60 HydrophobicContact CG-CG 4.48Å; L60-G62 PolarHBondContact O-N 2.86Å; L60-G62 VanDerWaalsContact O-N 3.14Å; L60-L63 PolarHBondContact O-N 2.83Å; L60-L63 VanDerWaalsContact O-N 3.14Å; L60-M85 HydrophobicContact CB-CE 4.21Å; L60-M85 HydrophobicContact CD2-CE 3.26Å; L60-M85 HydrophobicContact CG-CE 4.3Å; L60-I107 HydrophobicContact CD1-CG2 4.24Å; L60-I107 HydrophobicContact CD2-CG2 4.19Å; L60-V110 HydrophobicContact CD1-CG2 3.46Å; L60-V110 VanDerWaalsContact CD1-CG2 3.46Å; L60-A111 HydrophobicContact CB-CB 4.4Å
61C81.2Confident83.2Confident78 Ų7860 Ų6053%0.52734%0.338SS..THydrogen-bonded Turntrans-59.3115.4172.7-71.20000111.1D59D59-C61 PolarHBondContact O-N 2.95Å; D59-C61 WeakPolarHBondContact OD1-CB 3.39Å; D59-C61 PolarHBondContact OD1-N 3.13Å; D59-C61 VanDerWaalsContact OD1-N 3.1Å; D59-C61 PolarHBondContact OD1-SG 3.1Å
62G81.3Confident81.8Confident37 Ų3764.1 Ų64.138%0.38137%0.368SS..THydrogen-bonded Turntrans87.130.9-176.600000114L60 I64 T86L60-G62 PolarHBondContact O-N 2.86Å; L60-G62 VanDerWaalsContact O-N 3.14Å; G62-I64 PolarHBondContact O-N 2.88Å; G62-T86 WeakPolarHBondContact O-CG2 3.49Å; G62-T86 PolarHBondContact O-N 3.37Å
63L87Confident80.8Confident22 Ų2261.7 Ų61.712%0.11536%0.358CS..EExtended strand (participates in β ladder)trans-61.5125.9164-176.870.8000110.6L60 V66 V83 M85 I107 A111L60-L63 PolarHBondContact O-N 2.83Å; L60-L63 VanDerWaalsContact O-N 3.14Å; L63-V66 HydrophobicContact CD1-CG2 3.94Å; L63-V66 HydrophobicContact CD2-CG2 3.76Å; L63-V66 HydrophobicContact CG-CG2 4.3Å; L63-V83 HydrophobicContact CD1-CG1 3.39Å; L63-M85 VanDerWaalsContact CA-SD 3.53Å; L63-M85 HydrophobicContact CB-SD 3.85Å; L63-M85 HydrophobicContact CD1-CE 3.77Å; L63-M85 HydrophobicContact CD1-SD 3.56Å; L63-M85 VanDerWaalsContact CD1-SD 3.56Å; L63-M85 HydrophobicContact CG-SD 4.34Å; L63-I107 HydrophobicContact CD2-CG2 3.84Å; L63-A111 HydrophobicContact CB-CB 3.8Å; L63-A111 HydrophobicContact CD2-CB 3.32Å; L63-A111 HydrophobicContact CG-CB 4.21Å
64I85.8Confident79.8Confident86 Ų8663.5 Ų63.544%0.44138%0.375SS..EExtended strand (participates in β ladder)trans-89.9-56.8176.1-60.6173.6000109.1G62 Q84 T86G62-I64 PolarHBondContact O-N 2.88Å; I64-Q84 HydrophobicContact CB-CB 4.48Å; I64-Q84 HydrophobicContact CB-CG 4.32Å; I64-Q84 WeakPolarHBondContact CB-O 3.27Å; I64-Q84 HydrophobicContact CD1-CG 4.3Å; I64-Q84 PolarHBondContact N-O 3.39Å; I64-T86 HydrophobicContact CD1-CG2 4.25Å; I64-T86 HydrophobicContact CG1-CG2 4.16Å
65S85.1Confident78.5Confident32 Ų3266.2 Ų66.222%0.22439%0.393CS..EExtended strand (participates in β ladder)trans-154.3156.3-175.971.70000112Q84S65-Q84 PolarHBondContact N-O 3.28Å; S65-Q84 PolarHBondContact O-N 3.24Å; S65-Q84 PolarHBondContact OG-OE1 3.27Å; S65-Q84 VanDerWaalsContact OG-OE1 3.09Å
66V88.6Confident77Confident28 Ų2871 Ų7117%0.1742%0.416CS..EExtended strand (participates in β ladder)trans-124.3116.5169.3-171.10000107L63 F81 N82 V83 K104 I107L63-V66 HydrophobicContact CD1-CG2 3.94Å; L63-V66 HydrophobicContact CD2-CG2 3.76Å; L63-V66 HydrophobicContact CG-CG2 4.3Å; V66-F81 HydrophobicContact CG1-CD2 3.85Å; V66-F81 HydrophobicContact CG1-CE2 4.37Å; V66-N82 WeakPolarHBondContact CA-O 3.19Å; V66-V83 HydrophobicContact CG1-CG2 4.11Å; V66-V83 HydrophobicContact CG2-CG2 4.47Å; V66-K104 HydrophobicContact CG1-CB 4.11Å; V66-K104 HydrophobicContact CG1-CD 4.22Å; V66-K104 HydrophobicContact CG1-CG 3.64Å; V66-I107 HydrophobicContact CG2-CG2 3.91Å
67T85.4Confident75.7Confident69 Ų6975.1 Ų75.142%0.42344%0.439SS..EExtended strand (participates in β ladder)trans-127.8156.9-174.365.10000111.1F81 N82T67-F81 CarbonylContact O-C 3.59Å; T67-F81 WeakPolarHBondContact O-CA 3.25Å; T67-F81 WeakPolarHBondContact O-CB 3.24Å; T67-N82 PolarHBondContact N-O 3.12Å; T67-N82 PolarHBondContact O-N 3.34Å
68D85.1Confident74.8Confident65 Ų6570.8 Ų70.835%0.34843%0.427SS..EExtended strand (participates in β ladder)trans-68.4147172-156.610.5000110.5R100D68-R100 IonicContact OD1-CZ 3.47Å; D68-R100 IonicContact OD1-NE 3.17Å; D68-R100 IonicContact OD1-NH1 3.05Å; D68-R100 PolarHBondContact OD1-NH1 2.89Å; D68-R100 IonicContact OD2-CZ 3.53Å; D68-R100 IonicContact OD2-NH1 3.26Å; D68-R100 PolarHBondContact OD2-NH1 2.93Å; D68-R100 IonicContact OD2-NH2 2.88Å
69D79.6Confident74.6Confident20 Ų2070.6 Ų70.611%0.10743%0.427CS..  trans-99.294.1171.8-168.6-11.9000109.2S71 R80 N82 K91D69-S71 PolarHBondContact O-N 2.89Å; D69-S71 WeakPolarHBondContact OD1-CB 3.15Å; D69-S71 PolarHBondContact OD1-N 3.42Å; D69-S71 PolarHBondContact OD1-OG 3.26Å; D69-S71 PolarHBondContact OD2-OG 2.82Å; D69-R80 HydrophobicContact CB-CB 3.94Å; D69-R80 PolarHBondContact N-O 3.44Å; D69-N82 WeakPolarHBondContact CB-ND2 3.19Å; D69-N82 PolarHBondContact OD2-OD1 3.24Å; D69-K91 IonicContact OD1-NZ 3.83Å; D69-K91 IonicContact OD2-NZ 3.35Å; D69-K91 PolarHBondContact OD2-NZ 2.88Å
70S65.3Low74.5Confident107 Ų10767.7 Ų67.775%0.74841%0.41SS*.  trans-8120.3176.9-48.50000113.6
71S65.9Low74.6Confident40 Ų4067.6 Ų67.628%0.2841%0.409SS..  trans-59.2127.617951.70000111.5D69 D73 R80D69-S71 PolarHBondContact O-N 2.89Å; D69-S71 WeakPolarHBondContact OD1-CB 3.15Å; D69-S71 PolarHBondContact OD1-N 3.42Å; D69-S71 PolarHBondContact OD1-OG 3.26Å; D69-S71 PolarHBondContact OD2-OG 2.82Å; S71-D73 PolarHBondContact O-N 3.41Å; S71-R80 PolarHBondContact O-NH2 2.72Å; S71-R80 VanDerWaalsContact O-NH2 3.1Å; S71-R80 PolarHBondContact OG-NH1 2.85Å
72P53.8Low74.9Confident136 Ų13664.8 Ų64.888%0.88339%0.389SS*.  trans-68.6104.5177.626.8-31.1000108.2
73D56.6Low75.4Confident61 Ų6163 Ų6333%0.32637%0.371SS..  trans-121.9142.2-179.4-153-21.6000107.1S71 N75 R80S71-D73 PolarHBondContact O-N 3.41Å; D73-N75 PolarHBondContact O-N 3.43Å; D73-R80 IonicContact OD2-CZ 3.55Å; D73-R80 IonicContact OD2-NH1 3.57Å; D73-R80 PolarHBondContact OD2-NH1 3.14Å; D73-R80 IonicContact OD2-NH2 3.55Å
74P59.3Low75.5Confident126 Ų12665.9 Ų65.982%0.81838%0.384SS*.SBendtrans-52.6-20.2174.614.5-33.1000115.6L76P74-L76 PolarHBondContact O-N 2.97Å
75N58.5Low75.6Confident116 Ų11662.4 Ų62.462%0.6237%0.366SS*.  trans-92.686.5173-101.8-29.5000110.9D73 D77 A78D73-N75 PolarHBondContact O-N 3.43Å; N75-D77 PolarHBondContact O-N 3.34Å; N75-A78 PolarHBondContact O-N 2.95Å
76L55.8Low75.6Confident179 Ų17965.3 Ų65.394%0.93738%0.383SS*.THydrogen-bonded Turntrans-58.8-12.7178.8-75.7157.3000114.6P74P74-L76 PolarHBondContact O-N 2.97Å
77D59.3Low75.3Confident151 Ų15173.4 Ų73.481%0.80742%0.415SS*.THydrogen-bonded Turntrans-105.4-1.2-172-161.431.8000114.2N75 A79N75-D77 PolarHBondContact O-N 3.34Å; D77-A79 PolarHBondContact O-N 3.36Å
78A70.1Confident75.2Confident36 Ų3673.5 Ų73.530%0.29841%0.411SS..  trans-80.7109.5-177.400000111.6N75 R80 T93N75-A78 PolarHBondContact O-N 2.95Å; A78-R80 VanDerWaalsContact C-N 3.27Å; A78-R80 HydrophobicContact CB-CG 4.05Å; A78-R80 PolarHBondContact O-N 3.44Å; A78-T93 HydrophobicContact CB-CG2 4.13Å
79A85.3Confident75.3Confident7 Ų773.5 Ų73.56%0.05841%0.411CS..EExtended strand (participates in β ladder)trans-73.973.2178.600000112.4D77 A94 N96 R100D77-A79 PolarHBondContact O-N 3.36Å; A79-A94 HydrophobicContact CB-CB 4.3Å; A79-A94 PolarHBondContact O-N 3.34Å; A79-N96 VanDerWaalsContact CB-O 3.25Å; A79-N96 WeakPolarHBondContact CB-O 3.27Å; A79-R100 HydrophobicContact CB-CB 3.99Å
80R87.2Confident75.7Confident23 Ų2372.5 Ų72.59%0.08741%0.406CS..EExtended strand (participates in β ladder)trans-89.6145.3-173.7-69.3173.6-75.314910.3112.2D69 S71 D73 A78 F92 T93D69-R80 HydrophobicContact CB-CB 3.94Å; D69-R80 PolarHBondContact N-O 3.44Å; S71-R80 PolarHBondContact O-NH2 2.72Å; S71-R80 VanDerWaalsContact O-NH2 3.1Å; S71-R80 PolarHBondContact OG-NH1 2.85Å; D73-R80 IonicContact OD2-CZ 3.55Å; D73-R80 IonicContact OD2-NH1 3.57Å; D73-R80 PolarHBondContact OD2-NH1 3.14Å; D73-R80 IonicContact OD2-NH2 3.55Å; A78-R80 VanDerWaalsContact C-N 3.27Å; A78-R80 HydrophobicContact CB-CG 4.05Å; A78-R80 PolarHBondContact O-N 3.44Å; R80-F92 CarbonylContact C-O 3.57Å; R80-F92 VanDerWaalsContact CA-O 3.28Å; R80-F92 WeakPolarHBondContact CA-O 3.33Å; R80-T93 HydrophobicContact CG-CG2 3.8Å
81F89.9Confident76.9Confident0 Ų070.8 Ų70.80%039%0.385CS..EExtended strand (participates in β ladder)trans-148.1154.417467.5-79.2000110.8M21 V66 T67 V83 F92 A94 R100 W103 K104 I107M21-F81 HydrophobicContact SD-CE1 3.79Å; M21-F81 HydrophobicContact SD-CZ 3.51Å; M21-F81 VanDerWaalsContact SD-CZ 3.51Å; V66-F81 HydrophobicContact CG1-CD2 3.85Å; V66-F81 HydrophobicContact CG1-CE2 4.37Å; T67-F81 CarbonylContact O-C 3.59Å; T67-F81 WeakPolarHBondContact O-CA 3.25Å; T67-F81 WeakPolarHBondContact O-CB 3.24Å; F81-V83 HydrophobicContact CD2-CG2 3.86Å; F81-V83 HydrophobicContact CE2-CG2 3.59Å; F81-F92 HydrophobicContact CD1-CB 3.94Å; F81-F92 HydrophobicContact CD2-CB 4.38Å; F81-F92 HydrophobicContact CE1-CB 3.45Å; F81-F92 VanDerWaalsContact CE1-CB 3.45Å; F81-F92 HydrophobicContact CE1-CG 4.46Å; F81-F92 HydrophobicContact CE2-CB 3.93Å; F81-F92 AromaticContact CE2-CD2 3.88Å; F81-F92 HydrophobicContact CE2-CD2 3.88Å; F81-F92 HydrophobicContact CE2-CG 4.27Å; F81-F92 HydrophobicContact CG-CB 4.4Å; F81-F92 HydrophobicContact CZ-CB 3.45Å; F81-F92 VanDerWaalsContact CZ-CB 3.45Å; F81-F92 HydrophobicContact CZ-CD2 4.05Å; F81-F92 AromaticContact CZ-CG 4Å; F81-F92 HydrophobicContact CZ-CG 4Å; F81-F92 PolarHBondContact N-O 2.82Å; F81-F92 PolarHBondContact O-N 2.85Å; F81-A94 HydrophobicContact CE1-CB 4.4Å; F81-R100 HydrophobicContact CB-CG 4.03Å; F81-R100 HydrophobicContact CD1-CG 3.77Å; F81-R100 HydrophobicContact CG-CG 4.17Å; F81-W103 HydrophobicContact CE1-CB 4.14Å; F81-W103 HydrophobicContact CE2-CB 4.48Å; F81-W103 HydrophobicContact CZ-CB 3.73Å; F81-W103 HydrophobicContact CZ-CG 4.37Å; F81-K104 HydrophobicContact CB-CD 4.33Å; F81-K104 HydrophobicContact CB-CG 4.34Å; F81-K104 HydrophobicContact CD2-CG 4.04Å; F81-K104 HydrophobicContact CG-CG 4.22Å; F81-I107 HydrophobicContact CE2-CD1 3.96Å; F81-I107 HydrophobicContact CZ-CD1 4.31Å
82N89.3Confident78Confident20 Ų2069 Ų6911%0.10737%0.372CS..EExtended strand (participates in β ladder)trans-109.5133.6-178.3-61.6-46.6000110V66 T67 D69 K91V66-N82 WeakPolarHBondContact CA-O 3.19Å; T67-N82 PolarHBondContact N-O 3.12Å; T67-N82 PolarHBondContact O-N 3.34Å; D69-N82 WeakPolarHBondContact CB-ND2 3.19Å; D69-N82 PolarHBondContact OD2-OD1 3.24Å; N82-K91 WeakPolarHBondContact OD1-CD 3.26Å; N82-K91 WeakPolarHBondContact OD1-CE 3.4Å; N82-K91 WeakPolarHBondContact OD1-CG 3.35Å
83V91Very high79.8Confident0 Ų063.3 Ų63.30%034%0.335CS..EExtended strand (participates in β ladder)trans-112.4108.5174.7178.10000107.3L63 V66 F81 M85 I90 F92 I107L63-V83 HydrophobicContact CD1-CG1 3.39Å; V66-V83 HydrophobicContact CG1-CG2 4.11Å; V66-V83 HydrophobicContact CG2-CG2 4.47Å; F81-V83 HydrophobicContact CD2-CG2 3.86Å; F81-V83 HydrophobicContact CE2-CG2 3.59Å; V83-M85 HydrophobicContact CG1-CE 3.44Å; V83-M85 VanDerWaalsContact CG1-CE 3.44Å; V83-M85 HydrophobicContact CG1-SD 4.25Å; V83-I90 PolarHBondContact N-O 2.79Å; V83-I90 PolarHBondContact O-N 2.86Å; V83-F92 HydrophobicContact CB-CD2 4.11Å; V83-F92 HydrophobicContact CB-CE2 3.87Å; V83-F92 HydrophobicContact CG2-CD2 3.55Å; V83-F92 HydrophobicContact CG2-CE2 3.65Å; V83-I107 HydrophobicContact CG2-CD1 4.29Å
84Q88.4Confident81.4Confident81 Ų8160.7 Ų60.738%0.37932%0.322SS..EExtended strand (participates in β ladder)trans-93.9110.7-178.9-169.2178.522.500109.7I64 S65I64-Q84 HydrophobicContact CB-CB 4.48Å; I64-Q84 HydrophobicContact CB-CG 4.32Å; I64-Q84 WeakPolarHBondContact CB-O 3.27Å; I64-Q84 HydrophobicContact CD1-CG 4.3Å; I64-Q84 PolarHBondContact N-O 3.39Å; S65-Q84 PolarHBondContact N-O 3.28Å; S65-Q84 PolarHBondContact O-N 3.24Å; S65-Q84 PolarHBondContact OG-OE1 3.27Å; S65-Q84 VanDerWaalsContact OG-OE1 3.09Å
85M88.4Confident82.7Confident13 Ų1359 Ų596%0.06431%0.311CS..EExtended strand (participates in β ladder)trans-96.5162.9170.7-56-61.1-173.800110.4L58 L60 L63 V83 K87 E88L58-M85 HydrophobicContact CD2-CE 4.36Å; L58-M85 HydrophobicContact CG-CE 4.49Å; L60-M85 HydrophobicContact CB-CE 4.21Å; L60-M85 HydrophobicContact CD2-CE 3.26Å; L60-M85 HydrophobicContact CG-CE 4.3Å; L63-M85 VanDerWaalsContact CA-SD 3.53Å; L63-M85 HydrophobicContact CB-SD 3.85Å; L63-M85 HydrophobicContact CD1-CE 3.77Å; L63-M85 HydrophobicContact CD1-SD 3.56Å; L63-M85 VanDerWaalsContact CD1-SD 3.56Å; L63-M85 HydrophobicContact CG-SD 4.34Å; V83-M85 HydrophobicContact CG1-CE 3.44Å; V83-M85 VanDerWaalsContact CG1-CE 3.44Å; V83-M85 HydrophobicContact CG1-SD 4.25Å; M85-K87 PolarHBondContact O-N 2.91Å; M85-E88 WeakPolarHBondContact CA-O 3.35Å; M85-E88 VanDerWaalsContact CB-O 3.23Å; M85-E88 WeakPolarHBondContact CB-O 3.37Å; M85-E88 PolarHBondContact N-O 2.74Å
86T85.7Confident84.1Confident94 Ų9456.8 Ų56.858%0.57730%0.299SS*.SBendtrans-55.4-32.5170.646.90000113.9G62 I64G62-T86 WeakPolarHBondContact O-CG2 3.49Å; G62-T86 PolarHBondContact O-N 3.37Å; I64-T86 HydrophobicContact CD1-CG2 4.25Å; I64-T86 HydrophobicContact CG1-CG2 4.16Å
87K82.1Confident85.6Confident197 Ų19751 Ų5186%0.85728%0.277SS*.SBendtrans-97.2-31-175.6-63.1177.8-176.5171.50113.6M85M85-K87 PolarHBondContact O-N 2.91Å
88E83.2Confident87Confident72 Ų7250.2 Ų50.234%0.33627%0.269SS..  trans-159.1157.3-172.959.5-174.817800112.5M85 I90M85-E88 WeakPolarHBondContact CA-O 3.35Å; M85-E88 VanDerWaalsContact CB-O 3.23Å; M85-E88 WeakPolarHBondContact CB-O 3.37Å; M85-E88 PolarHBondContact N-O 2.74Å; E88-I90 HydrophobicContact CG-CD1 4.12Å; E88-I90 HydrophobicContact CG-CG1 4.09Å
89N86.7Confident88Confident64 Ų6449.4 Ų49.434%0.34226%0.26SS..EExtended strand (participates in β ladder)trans-107.7125.9171.2-173.1-61.6000108.7
90I87.9Confident88.3Confident0 Ų051 Ų510%027%0.265CS..EExtended strand (participates in β ladder)trans-118.3132.6-177.9-56.9169000108.5K23 L58 V83 E88 F92K23-I90 HydrophobicContact CD-CG2 4.48Å; K23-I90 HydrophobicContact CG-CG2 4.03Å; L58-I90 HydrophobicContact CD1-CD1 3.49Å; L58-I90 VanDerWaalsContact CD1-CD1 3.49Å; L58-I90 HydrophobicContact CD2-CD1 3.44Å; L58-I90 VanDerWaalsContact CD2-CD1 3.44Å; L58-I90 HydrophobicContact CG-CD1 4.1Å; V83-I90 PolarHBondContact N-O 2.79Å; V83-I90 PolarHBondContact O-N 2.86Å; E88-I90 HydrophobicContact CG-CD1 4.12Å; E88-I90 HydrophobicContact CG-CG1 4.09Å; I90-F92 HydrophobicContact CB-CE2 4.08Å; I90-F92 HydrophobicContact CB-CZ 4.28Å; I90-F92 HydrophobicContact CG2-CD1 4.45Å; I90-F92 HydrophobicContact CG2-CD2 4.23Å; I90-F92 HydrophobicContact CG2-CE1 3.91Å; I90-F92 HydrophobicContact CG2-CE2 3.65Å; I90-F92 HydrophobicContact CG2-CZ 3.48Å; I90-F92 VanDerWaalsContact CG2-CZ 3.48Å
91K89.6Confident88.4Confident71 Ų7150.3 Ų50.331%0.30926%0.263SS..EExtended strand (participates in β ladder)trans-98133.5175.5-53.4-156164.1-160.20109.8R24 D69 N82R24-K91 HydrophobicContact CB-CB 4.26Å; R24-K91 PolarHBondContact N-O 3.42Å; R24-K91 PolarHBondContact O-N 2.77Å; R24-K91 VanDerWaalsContact O-O 3.14Å; D69-K91 IonicContact OD1-NZ 3.83Å; D69-K91 IonicContact OD2-NZ 3.35Å; D69-K91 PolarHBondContact OD2-NZ 2.88Å; N82-K91 WeakPolarHBondContact OD1-CD 3.26Å; N82-K91 WeakPolarHBondContact OD1-CE 3.4Å; N82-K91 WeakPolarHBondContact OD1-CG 3.35Å
92F90.6Very high88.5Confident1 Ų151.6 Ų51.60%0.00427%0.269CS..EExtended strand (participates in β ladder)trans-120.7145.2176.4-67.9-69.8000110.8M21 E22 K23 L43 F45 L58 R80 F81 V83 I90M21-F92 HydrophobicContact CE-CD1 3.51Å; M21-F92 HydrophobicContact CE-CE1 3.72Å; M21-F92 HydrophobicContact CE-CG 3.97Å; M21-F92 HydrophobicContact CE-CZ 4.35Å; M21-F92 HydrophobicContact CG-CB 4.02Å; M21-F92 HydrophobicContact CG-CD1 3.98Å; M21-F92 HydrophobicContact CG-CG 4.34Å; M21-F92 HydrophobicContact SD-CB 3.7Å; M21-F92 HydrophobicContact SD-CD1 3.77Å; M21-F92 HydrophobicContact SD-CG 3.79Å; E22-F92 CarbonylContact O-C 3.59Å; E22-F92 VanDerWaalsContact O-CA 3.28Å; E22-F92 WeakPolarHBondContact O-CA 3.41Å; K23-F92 HydrophobicContact CB-CD1 4.15Å; K23-F92 HydrophobicContact CB-CE1 3.93Å; K23-F92 HydrophobicContact CD-CE1 4.01Å; K23-F92 HydrophobicContact CG-CD1 4.34Å; K23-F92 HydrophobicContact CG-CE1 3.8Å; L43-F92 HydrophobicContact CD1-CZ 4.49Å; F45-F92 AromaticContact CE1-CE1 3.81Å; F45-F92 HydrophobicContact CE1-CE1 3.81Å; F45-F92 HydrophobicContact CE1-CZ 4.45Å; F45-F92 AromaticContact CZ-CE1 3.73Å; F45-F92 HydrophobicContact CZ-CE1 3.73Å; F45-F92 AromaticContact CZ-CZ 3.94Å; F45-F92 HydrophobicContact CZ-CZ 3.94Å; L58-F92 HydrophobicContact CD2-CE2 4.36Å; L58-F92 HydrophobicContact CD2-CZ 3.88Å; R80-F92 CarbonylContact C-O 3.57Å; R80-F92 VanDerWaalsContact CA-O 3.28Å; R80-F92 WeakPolarHBondContact CA-O 3.33Å; F81-F92 HydrophobicContact CD1-CB 3.94Å; F81-F92 HydrophobicContact CD2-CB 4.38Å; F81-F92 HydrophobicContact CE1-CB 3.45Å; F81-F92 VanDerWaalsContact CE1-CB 3.45Å; F81-F92 HydrophobicContact CE1-CG 4.46Å; F81-F92 HydrophobicContact CE2-CB 3.93Å; F81-F92 AromaticContact CE2-CD2 3.88Å; F81-F92 HydrophobicContact CE2-CD2 3.88Å; F81-F92 HydrophobicContact CE2-CG 4.27Å; F81-F92 HydrophobicContact CG-CB 4.4Å; F81-F92 HydrophobicContact CZ-CB 3.45Å; F81-F92 VanDerWaalsContact CZ-CB 3.45Å; F81-F92 HydrophobicContact CZ-CD2 4.05Å; F81-F92 AromaticContact CZ-CG 4Å; F81-F92 HydrophobicContact CZ-CG 4Å; F81-F92 PolarHBondContact N-O 2.82Å; F81-F92 PolarHBondContact O-N 2.85Å; V83-F92 HydrophobicContact CB-CD2 4.11Å; V83-F92 HydrophobicContact CB-CE2 3.87Å; V83-F92 HydrophobicContact CG2-CD2 3.55Å; V83-F92 HydrophobicContact CG2-CE2 3.65Å; I90-F92 HydrophobicContact CB-CE2 4.08Å; I90-F92 HydrophobicContact CB-CZ 4.28Å; I90-F92 HydrophobicContact CG2-CD1 4.45Å; I90-F92 HydrophobicContact CG2-CD2 4.23Å; I90-F92 HydrophobicContact CG2-CE1 3.91Å; I90-F92 HydrophobicContact CG2-CE2 3.65Å; I90-F92 HydrophobicContact CG2-CZ 3.48Å; I90-F92 VanDerWaalsContact CG2-CZ 3.48Å
93T90.1Very high88.7Confident18 Ų1850.7 Ų50.711%0.1127%0.265CS..EExtended strand (participates in β ladder)trans-117.9117.9170.8-46.30000108.7E22 A78 R80E22-T93 PolarHBondContact N-O 2.95Å; E22-T93 PolarHBondContact O-N 3.44Å; A78-T93 HydrophobicContact CB-CG2 4.13Å; R80-T93 HydrophobicContact CG-CG2 3.8Å
94A90.4Very high88.7Confident5 Ų551.7 Ų51.74%0.04127%0.269CS..EExtended strand (participates in β ladder)trans-86.7158.8172.800000110.5A79 F81 N96 R100A79-A94 HydrophobicContact CB-CB 4.3Å; A79-A94 PolarHBondContact O-N 3.34Å; F81-A94 HydrophobicContact CE1-CB 4.4Å; A94-N96 VanDerWaalsContact C-N 3.3Å; A94-N96 PolarHBondContact O-N 3.04Å; A94-R100 HydrophobicContact CB-CB 3.92Å
95P87.4Confident88.9Confident91 Ų9147.8 Ų47.859%0.59125%0.251SS*.SBendtrans-69.1-26.1-179.426.4-35000113.6Y20Y20-P95 WeakPolarHBondContact O-CD 3.43Å
96N88.6Confident89Confident70 Ų7047.5 Ų47.537%0.37425%0.249SC..SBendtrans-153.2168178.259.834.3000110.9A79 A94 E98 S99 R100A79-N96 VanDerWaalsContact CB-O 3.25Å; A79-N96 WeakPolarHBondContact CB-O 3.27Å; A94-N96 VanDerWaalsContact C-N 3.3Å; A94-N96 PolarHBondContact O-N 3.04Å; N96-E98 VanDerWaalsContact C-N 3.31Å; N96-E98 PolarHBondContact O-N 3.08Å; N96-E98 PolarHBondContact OD1-N 2.94Å; N96-S99 PolarHBondContact O-N 2.72Å; N96-S99 WeakPolarHBondContact OD1-CA 3.32Å; N96-S99 WeakPolarHBondContact OD1-CB 3.45Å; N96-S99 PolarHBondContact OD1-N 3.46Å; N96-S99 PolarHBondContact OD1-OG 2.83Å; N96-R100 PolarHBondContact O-N 3.36Å; N96-R100 VanDerWaalsContact O-N 3.07Å
97A87.4Confident89.4Confident58 Ų5843 Ų4348%0.47922%0.222SC..Hα-helixtrans-61.7-36.7-178.400000112.9R100 E101A97-R100 WeakPolarHBondContact O-CB 3.48Å; A97-R100 PolarHBondContact O-N 3.3Å; A97-E101 PolarHBondContact O-N 3.38Å
98E88.6Confident89.8Confident134 Ų13435.3 Ų35.363%0.62619%0.189SC*.Hα-helixtrans-63.7-47.1177.7-61.2-176.3152.600111.7N96 R100 E101 L102N96-E98 VanDerWaalsContact C-N 3.31Å; N96-E98 PolarHBondContact O-N 3.08Å; N96-E98 PolarHBondContact OD1-N 2.94Å; E98-R100 VanDerWaalsContact C-N 3.26Å; E98-R100 PolarHBondContact O-N 3.07Å; E98-E101 PolarHBondContact O-N 3.47Å; E98-E101 VanDerWaalsContact O-N 3.14Å; E98-L102 WeakPolarHBondContact O-CG 3.43Å; E98-L102 PolarHBondContact O-N 2.75Å
99S90Very high90.2Very high18 Ų1831.9 Ų31.913%0.12617%0.173CC..Hα-helixtrans-62.3-36.6177.1-60.40000110.8N96 L102 W103N96-S99 PolarHBondContact O-N 2.72Å; N96-S99 WeakPolarHBondContact OD1-CA 3.32Å; N96-S99 WeakPolarHBondContact OD1-CB 3.45Å; N96-S99 PolarHBondContact OD1-N 3.46Å; N96-S99 PolarHBondContact OD1-OG 2.83Å; S99-L102 PolarHBondContact O-N 3.39Å; S99-W103 WeakPolarHBondContact O-CB 3.25Å; S99-W103 PolarHBondContact O-N 3.4Å
100R90.9Very high90.3Very high41 Ų4128.9 Ų28.916%0.15516%0.156CC..Hα-helixtrans-59.9-49.9173-178.4-164.569.2-176.6-2.7110.9D68 A79 F81 A94 N96 A97 E98 L102 W103 K104D68-R100 IonicContact OD1-CZ 3.47Å; D68-R100 IonicContact OD1-NE 3.17Å; D68-R100 IonicContact OD1-NH1 3.05Å; D68-R100 PolarHBondContact OD1-NH1 2.89Å; D68-R100 IonicContact OD2-CZ 3.53Å; D68-R100 IonicContact OD2-NH1 3.26Å; D68-R100 PolarHBondContact OD2-NH1 2.93Å; D68-R100 IonicContact OD2-NH2 2.88Å; A79-R100 HydrophobicContact CB-CB 3.99Å; F81-R100 HydrophobicContact CB-CG 4.03Å; F81-R100 HydrophobicContact CD1-CG 3.77Å; F81-R100 HydrophobicContact CG-CG 4.17Å; A94-R100 HydrophobicContact CB-CB 3.92Å; N96-R100 PolarHBondContact O-N 3.36Å; N96-R100 VanDerWaalsContact O-N 3.07Å; A97-R100 WeakPolarHBondContact O-CB 3.48Å; A97-R100 PolarHBondContact O-N 3.3Å; E98-R100 VanDerWaalsContact C-N 3.26Å; E98-R100 PolarHBondContact O-N 3.07Å; R100-L102 VanDerWaalsContact C-N 3.31Å; R100-L102 PolarHBondContact O-N 2.67Å; R100-W103 PolarHBondContact O-N 3.36Å; R100-K104 VanDerWaalsContact O-CG 3.27Å; R100-K104 WeakPolarHBondContact O-CG 3.22Å; R100-K104 PolarHBondContact O-N 3.23Å
101E90.6Very high90.3Very high9 Ų930 Ų304%0.04217%0.166CC..Hα-helixtrans-60.8-41.8177.9-62.8-51.7124.600111.7A97 E98 K104 G105 N120 L121A97-E101 PolarHBondContact O-N 3.38Å; E98-E101 PolarHBondContact O-N 3.47Å; E98-E101 VanDerWaalsContact O-N 3.14Å; E101-K104 VanDerWaalsContact CD-CE 3.41Å; E101-K104 PolarHBondContact O-N 2.89Å; E101-K104 WeakPolarHBondContact OE1-CE 3.31Å; E101-K104 IonicContact OE1-NZ 2.77Å; E101-K104 PolarHBondContact OE1-NZ 2.84Å; E101-K104 WeakPolarHBondContact OE2-CE 3.41Å; E101-K104 IonicContact OE2-NZ 2.71Å; E101-K104 PolarHBondContact OE2-NZ 3.06Å; E101-G105 PolarHBondContact O-N 2.91Å; E101-N120 HydrophobicContact CG-CB 4.3Å; E101-L121 HydrophobicContact CB-CD2 3.66Å; E101-L121 HydrophobicContact CB-CG 4.42Å
102L91.4Very high90.2Very high26 Ų2631.1 Ų31.114%0.13617%0.171CC..Hα-helixtrans-60.8-52.6175.6-71.9171.7000111.5Y17 E98 S99 R100 K104 G105 F106 L121 Q125Y17-L102 HydrophobicContact CE1-CB 4.17Å; Y17-L102 HydrophobicContact CE2-CD1 4.4Å; Y17-L102 WeakPolarHBondContact OH-CD1 3.36Å; E98-L102 WeakPolarHBondContact O-CG 3.43Å; E98-L102 PolarHBondContact O-N 2.75Å; S99-L102 PolarHBondContact O-N 3.39Å; R100-L102 VanDerWaalsContact C-N 3.31Å; R100-L102 PolarHBondContact O-N 2.67Å; L102-K104 VanDerWaalsContact C-N 3.32Å; L102-K104 PolarHBondContact O-N 3.07Å; L102-G105 WeakPolarHBondContact O-CA 3.41Å; L102-G105 PolarHBondContact O-N 2.93Å; L102-F106 HydrophobicContact CB-CD2 4.34Å; L102-F106 HydrophobicContact CB-CE2 4.43Å; L102-F106 HydrophobicContact CD2-CE2 4.23Å; L102-F106 WeakPolarHBondContact O-CD2 3.4Å; L102-F106 PolarHBondContact O-N 3.14Å; L102-L121 HydrophobicContact CD2-CD2 3.91Å; L102-L121 HydrophobicContact CG-CD2 4.25Å; L102-Q125 HydrophobicContact CD2-CB 4.05Å; L102-Q125 HydrophobicContact CD2-CG 3.93Å
103W93Very high90Very high2 Ų233.1 Ų33.11%0.00818%0.181CC..Hα-helixtrans-57-44.6178.3-83.2116000111.9Y17 M21 T36 L38 L43 F81 S99 R100 G105 I107Y17-W103 AromaticContact CD1-CD2 3.73Å; Y17-W103 HydrophobicContact CD1-CD2 3.73Å; Y17-W103 AromaticContact CD1-CE2 3.76Å; Y17-W103 AromaticContact CD1-CE3 3.75Å; Y17-W103 HydrophobicContact CD1-CE3 3.75Å; Y17-W103 HydrophobicContact CD1-CG 4.43Å; Y17-W103 AromaticContact CD1-CH2 3.81Å; Y17-W103 HydrophobicContact CD1-CH2 3.81Å; Y17-W103 AromaticContact CD1-CZ2 3.82Å; Y17-W103 HydrophobicContact CD1-CZ2 3.82Å; Y17-W103 AromaticContact CD1-CZ3 3.78Å; Y17-W103 HydrophobicContact CD1-CZ3 3.78Å; Y17-W103 AromaticContact CE1-CD1 3.98Å; Y17-W103 AromaticContact CE1-CD2 3.63Å; Y17-W103 HydrophobicContact CE1-CD2 3.63Å; Y17-W103 AromaticContact CE1-CE2 3.47Å; Y17-W103 VanDerWaalsContact CE1-CE2 3.47Å; Y17-W103 HydrophobicContact CE1-CE3 4.14Å; Y17-W103 AromaticContact CE1-CG 3.95Å; Y17-W103 HydrophobicContact CE1-CG 3.95Å; Y17-W103 HydrophobicContact CE1-CH2 4.32Å; Y17-W103 AromaticContact CE1-CZ2 3.85Å; Y17-W103 HydrophobicContact CE1-CZ2 3.85Å; Y17-W103 HydrophobicContact CE1-CZ3 4.46Å; Y17-W103 AromaticContact CE1-NE1 3.69Å; M21-W103 HydrophobicContact CE-CD2 4.43Å; M21-W103 HydrophobicContact CE-CE3 4.45Å; M21-W103 HydrophobicContact SD-CD2 4.06Å; M21-W103 HydrophobicContact SD-CG 4.08Å; T36-W103 HydrophobicContact CG2-CH2 3.84Å; T36-W103 HydrophobicContact CG2-CZ3 4.22Å; T36-W103 WeakPolarHBondContact O-CH2 3.3Å; L38-W103 HydrophobicContact CB-CZ3 4.21Å; L43-W103 HydrophobicContact CD2-CE3 4.43Å; L43-W103 HydrophobicContact CD2-CZ3 3.71Å; F81-W103 HydrophobicContact CE1-CB 4.14Å; F81-W103 HydrophobicContact CE2-CB 4.48Å; F81-W103 HydrophobicContact CZ-CB 3.73Å; F81-W103 HydrophobicContact CZ-CG 4.37Å; S99-W103 WeakPolarHBondContact O-CB 3.25Å; S99-W103 PolarHBondContact O-N 3.4Å; R100-W103 PolarHBondContact O-N 3.36Å; W103-G105 VanDerWaalsContact C-N 3.33Å; W103-G105 PolarHBondContact O-N 3.04Å; W103-I107 HydrophobicContact CE3-CD1 4.36Å; W103-I107 VanDerWaalsContact O-CB 3.27Å; W103-I107 WeakPolarHBondContact O-CB 3.48Å; W103-I107 WeakPolarHBondContact O-CD1 3.11Å; W103-I107 WeakPolarHBondContact O-CG1 3.39Å; W103-I107 PolarHBondContact O-N 3.07Å
104K91.9Very high89.8Confident20 Ų2038.2 Ų38.29%0.08720%0.204CC..Hα-helixtrans-59.3-45.5174.5-69.9-170.3-61.6175.70111.5V66 F81 R100 E101 L102 H108 L119V66-K104 HydrophobicContact CG1-CB 4.11Å; V66-K104 HydrophobicContact CG1-CD 4.22Å; V66-K104 HydrophobicContact CG1-CG 3.64Å; F81-K104 HydrophobicContact CB-CD 4.33Å; F81-K104 HydrophobicContact CB-CG 4.34Å; F81-K104 HydrophobicContact CD2-CG 4.04Å; F81-K104 HydrophobicContact CG-CG 4.22Å; R100-K104 VanDerWaalsContact O-CG 3.27Å; R100-K104 WeakPolarHBondContact O-CG 3.22Å; R100-K104 PolarHBondContact O-N 3.23Å; E101-K104 VanDerWaalsContact CD-CE 3.41Å; E101-K104 PolarHBondContact O-N 2.89Å; E101-K104 WeakPolarHBondContact OE1-CE 3.31Å; E101-K104 IonicContact OE1-NZ 2.77Å; E101-K104 PolarHBondContact OE1-NZ 2.84Å; E101-K104 WeakPolarHBondContact OE2-CE 3.41Å; E101-K104 IonicContact OE2-NZ 2.71Å; E101-K104 PolarHBondContact OE2-NZ 3.06Å; L102-K104 VanDerWaalsContact C-N 3.32Å; L102-K104 PolarHBondContact O-N 3.07Å; K104-H108 VanDerWaalsContact O-CB 3.24Å; K104-H108 WeakPolarHBondContact O-CB 3.49Å; K104-H108 PolarHBondContact O-N 3.48Å; K104-L119 HydrophobicContact CB-CD1 4.16Å; K104-L119 HydrophobicContact CB-CD2 4.39Å
105G91.7Very high89.6Confident0 Ų039.6 Ų39.60%021%0.212CC..Hα-helixtrans-60.7-53.1179.300000112.2E101 L102 W103 H108 C109 L119E101-G105 PolarHBondContact O-N 2.91Å; L102-G105 WeakPolarHBondContact O-CA 3.41Å; L102-G105 PolarHBondContact O-N 2.93Å; W103-G105 VanDerWaalsContact C-N 3.33Å; W103-G105 PolarHBondContact O-N 3.04Å; G105-H108 PolarHBondContact O-N 2.86Å; G105-C109 WeakPolarHBondContact O-CB 3.36Å; G105-C109 PolarHBondContact O-N 3.12Å; G105-C109 PolarHBondContact O-SG 3.48Å; G105-L119 VanDerWaalsContact N-CD1 3.34Å
106F92.4Very high89.3Confident7 Ų736 Ų363%0.03119%0.188CC..Hα-helixtrans-62-46.9179.8-81.7-70.4000112.3Y17 L38 L102 H108 C109 V110 I128 L129 T132Y17-F106 AromaticContact CD1-CD2 3.66Å; Y17-F106 HydrophobicContact CD1-CD2 3.66Å; Y17-F106 HydrophobicContact CD1-CE2 4.09Å; Y17-F106 HydrophobicContact CD1-CG 4.31Å; Y17-F106 AromaticContact CD2-CD2 3.88Å; Y17-F106 HydrophobicContact CD2-CD2 3.88Å; Y17-F106 AromaticContact CD2-CE2 3.42Å; Y17-F106 HydrophobicContact CD2-CE2 3.42Å; Y17-F106 VanDerWaalsContact CD2-CE2 3.42Å; Y17-F106 AromaticContact CD2-CZ 3.93Å; Y17-F106 HydrophobicContact CD2-CZ 3.93Å; Y17-F106 HydrophobicContact CE1-CD2 4.21Å; Y17-F106 HydrophobicContact CE2-CD2 4.43Å; Y17-F106 AromaticContact CE2-CE2 3.93Å; Y17-F106 HydrophobicContact CE2-CE2 3.93Å; Y17-F106 AromaticContact CG-CD2 3.47Å; Y17-F106 HydrophobicContact CG-CD2 3.47Å; Y17-F106 VanDerWaalsContact CG-CD2 3.47Å; Y17-F106 AromaticContact CG-CE2 3.53Å; Y17-F106 HydrophobicContact CG-CE2 3.53Å; Y17-F106 HydrophobicContact CG-CG 4.06Å; Y17-F106 HydrophobicContact CG-CZ 4.13Å; L38-F106 HydrophobicContact CD2-CB 3.69Å; L38-F106 HydrophobicContact CD2-CG 4.49Å; L102-F106 HydrophobicContact CB-CD2 4.34Å; L102-F106 HydrophobicContact CB-CE2 4.43Å; L102-F106 HydrophobicContact CD2-CE2 4.23Å; L102-F106 WeakPolarHBondContact O-CD2 3.4Å; L102-F106 PolarHBondContact O-N 3.14Å; F106-H108 VanDerWaalsContact C-N 3.33Å; F106-H108 PolarHBondContact O-N 3.14Å; F106-C109 PolarHBondContact O-N 3.48Å; F106-V110 WeakPolarHBondContact O-CG2 3.2Å; F106-V110 PolarHBondContact O-N 3.42Å; F106-I128 HydrophobicContact CE1-CG2 4.12Å; F106-I128 HydrophobicContact CZ-CG2 3.78Å; F106-L129 HydrophobicContact CB-CD2 4.28Å; F106-L129 HydrophobicContact CD1-CD2 3.52Å; F106-L129 HydrophobicContact CD2-CD2 3.97Å; F106-L129 HydrophobicContact CE1-CD2 3.73Å; F106-L129 HydrophobicContact CE2-CD2 4.14Å; F106-L129 HydrophobicContact CG-CD2 3.64Å; F106-L129 HydrophobicContact CZ-CD2 4.03Å; F106-T132 HydrophobicContact CD1-CG2 4.21Å; F106-T132 HydrophobicContact CE1-CG2 4.43Å; F106-T132 WeakPolarHBondContact CE1-OG1 3.22Å
107I92.6Very high88.6Confident0 Ų039 Ų390%020%0.203CC..Hα-helixtrans-61.1-42.9177.9-69167.3000110.7L43 L60 L63 V66 F81 V83 W103 V110 A111L43-I107 HydrophobicContact CD1-CD1 4.15Å; L43-I107 HydrophobicContact CD1-CG1 4.39Å; L60-I107 HydrophobicContact CD1-CG2 4.24Å; L60-I107 HydrophobicContact CD2-CG2 4.19Å; L63-I107 HydrophobicContact CD2-CG2 3.84Å; V66-I107 HydrophobicContact CG2-CG2 3.91Å; F81-I107 HydrophobicContact CE2-CD1 3.96Å; F81-I107 HydrophobicContact CZ-CD1 4.31Å; V83-I107 HydrophobicContact CG2-CD1 4.29Å; W103-I107 HydrophobicContact CE3-CD1 4.36Å; W103-I107 VanDerWaalsContact O-CB 3.27Å; W103-I107 WeakPolarHBondContact O-CB 3.48Å; W103-I107 WeakPolarHBondContact O-CD1 3.11Å; W103-I107 WeakPolarHBondContact O-CG1 3.39Å; W103-I107 PolarHBondContact O-N 3.07Å; I107-V110 WeakPolarHBondContact O-CG2 3.44Å; I107-A111 WeakPolarHBondContact O-CB 3.22Å; I107-A111 PolarHBondContact O-N 3.43Å; I107-A111 VanDerWaalsContact O-N 3.14Å
108H90.5Very high88.1Confident35 Ų3542.4 Ų42.416%0.16222%0.219CC..Hα-helixtrans-63.6-44.4176.4-171.9-78.9000111.7K104 G105 F106 A111 K112 E114 P116K104-H108 VanDerWaalsContact O-CB 3.24Å; K104-H108 WeakPolarHBondContact O-CB 3.49Å; K104-H108 PolarHBondContact O-N 3.48Å; G105-H108 PolarHBondContact O-N 2.86Å; F106-H108 VanDerWaalsContact C-N 3.33Å; F106-H108 PolarHBondContact O-N 3.14Å; H108-A111 PolarHBondContact O-N 3.14Å; H108-K112 WeakPolarHBondContact NE2-CD 3.44Å; H108-K112 PolarHBondContact NE2-NZ 3.43Å; H108-K112 PolarHBondContact O-N 3.38Å; H108-E114 PolarHBondContact ND1-O 2.95Å; H108-E114 VanDerWaalsContact ND1-O 3.12Å; H108-P116 HydrophobicContact CB-CG 3.97Å
109C91.2Very high87.6Confident0 Ų037.4 Ų37.40%020%0.196CC..Hα-helixtrans-59.4-49.8-179.4-73.90000112.3G105 F106 L113 E114 V133G105-C109 WeakPolarHBondContact O-CB 3.36Å; G105-C109 PolarHBondContact O-N 3.12Å; G105-C109 PolarHBondContact O-SG 3.48Å; F106-C109 PolarHBondContact O-N 3.48Å; C109-L113 WeakPolarHBondContact O-CA 3.39Å; C109-L113 PolarHBondContact O-N 3.09Å; C109-E114 WeakPolarHBondContact CA-O 3.05Å; C109-V133 HydrophobicContact CB-CG2 3.59Å
110V90.2Very high87.3Confident0 Ų043.3 Ų43.30%023%0.226CC..Hα-helixtrans-72.7-31.7-178.4-60.10000112.7Y16 L38 G40 K41 L60 F106 I107 T132Y16-V110 HydrophobicContact CD2-CG1 3.81Å; Y16-V110 HydrophobicContact CE2-CG1 4.14Å; L38-V110 HydrophobicContact CD1-CG2 3.99Å; L38-V110 HydrophobicContact CD2-CG1 3.88Å; L38-V110 HydrophobicContact CD2-CG2 4.13Å; L38-V110 HydrophobicContact CG-CG1 4.39Å; G40-V110 WeakPolarHBondContact O-CB 3.44Å; K41-V110 VanDerWaalsContact CE-O 3.31Å; K41-V110 WeakPolarHBondContact CE-O 3.48Å; L60-V110 HydrophobicContact CD1-CG2 3.46Å; L60-V110 VanDerWaalsContact CD1-CG2 3.46Å; F106-V110 WeakPolarHBondContact O-CG2 3.2Å; F106-V110 PolarHBondContact O-N 3.42Å; I107-V110 WeakPolarHBondContact O-CG2 3.44Å; V110-T132 HydrophobicContact CG1-CG2 4.12Å
111A88.1Confident87.1Confident25 Ų2542.3 Ų42.321%0.20722%0.224CC..Hα-helixtrans-79.1-44.1-177.100000112.5L60 L63 I107 H108L60-A111 HydrophobicContact CB-CB 4.4Å; L63-A111 HydrophobicContact CB-CB 3.8Å; L63-A111 HydrophobicContact CD2-CB 3.32Å; L63-A111 HydrophobicContact CG-CB 4.21Å; I107-A111 WeakPolarHBondContact O-CB 3.22Å; I107-A111 PolarHBondContact O-N 3.43Å; I107-A111 VanDerWaalsContact O-N 3.14Å; H108-A111 PolarHBondContact O-N 3.14Å
112K86.5Confident87Confident94 Ų9447.4 Ų47.441%0.40925%0.251SS..Hα-helixtrans-100.2-8.8-178.7-61.8-159.2-169.2164.40114.6H108 E114H108-K112 WeakPolarHBondContact NE2-CD 3.44Å; H108-K112 PolarHBondContact NE2-NZ 3.43Å; H108-K112 PolarHBondContact O-N 3.38Å; K112-E114 HydrophobicContact CB-CB 4.46Å; K112-E114 PolarHBondContact O-N 3.13Å
113L86Confident86.8Confident43 Ų4351.2 Ų51.223%0.22528%0.277CS..SBendtrans58.530.4-173.5-56.1172.7000113.1C109 V133 E136 Q137 L140C109-L113 WeakPolarHBondContact O-CA 3.39Å; C109-L113 PolarHBondContact O-N 3.09Å; L113-V133 VanDerWaalsContact O-CG1 3.22Å; L113-V133 WeakPolarHBondContact O-CG1 3.36Å; L113-E136 HydrophobicContact CD2-CB 4.16Å; L113-E136 HydrophobicContact CD2-CG 3.51Å; L113-Q137 HydrophobicContact CD2-CG 4.39Å; L113-L140 HydrophobicContact CD1-CD1 3.63Å; L113-L140 HydrophobicContact CD2-CD1 4Å; L113-L140 HydrophobicContact CG-CD1 4.43Å
114E86.4Confident86.6Confident125 Ų12553.3 Ų53.358%0.58430%0.299SS*.SBendtrans-138.9140.6-176.8-71.1178.8179.100110.9H108 C109 K112 P116H108-E114 PolarHBondContact ND1-O 2.95Å; H108-E114 VanDerWaalsContact ND1-O 3.12Å; C109-E114 WeakPolarHBondContact CA-O 3.05Å; K112-E114 HydrophobicContact CB-CB 4.46Å; K112-E114 PolarHBondContact O-N 3.13Å; E114-P116 WeakPolarHBondContact O-CD 3.49Å
115V87.1Confident86.5Confident34 Ų3454.4 Ų54.421%0.20631%0.305CS..  trans-85.7116.2179.1-177.30000110.1L117 I126 L129 R130 V133V115-L117 PolarHBondContact O-N 3.24Å; V115-I126 HydrophobicContact CG1-CG2 4.11Å; V115-L129 HydrophobicContact CG1-CB 4Å; V115-L129 HydrophobicContact CG1-CD1 4.33Å; V115-L129 HydrophobicContact CG2-CB 4.31Å; V115-R130 HydrophobicContact CG2-CB 4.39Å; V115-R130 HydrophobicContact CG2-CG 3.76Å; V115-V133 HydrophobicContact CG2-CB 4.49Å; V115-V133 HydrophobicContact CG2-CG2 3.82Å
116P80.8Confident86.4Confident14 Ų1456.2 Ų56.29%0.09131%0.314CS..  trans-73.1114.7178.830.2-33.7000110.4H108 E114 T118 L119H108-P116 HydrophobicContact CB-CG 3.97Å; E114-P116 WeakPolarHBondContact O-CD 3.49Å; P116-T118 VanDerWaalsContact C-N 3.28Å; P116-T118 PolarHBondContact O-N 3.32Å; P116-L119 HydrophobicContact CB-CD1 4.18Å; P116-L119 HydrophobicContact CB-CG 4.15Å; P116-L119 HydrophobicContact CG-CD1 3.52Å; P116-L119 HydrophobicContact CG-CG 4.02Å
117L74.3Confident86.3Confident133 Ų13360.8 Ų60.870%0.69634%0.335SS*.THydrogen-bonded Turntrans-79.9-8.7178.7-60.6176.9000113.5V115V115-L117 PolarHBondContact O-N 3.24Å
118T75.2Confident86.2Confident131 Ų13164.6 Ų64.680%0.80436%0.355SS*.THydrogen-bonded Turntrans-89.32-175.858.20000113.7P116P116-T118 VanDerWaalsContact C-N 3.28Å; P116-T118 PolarHBondContact O-N 3.32Å
119L78.6Confident86.2Confident29 Ų2962.9 Ų62.915%0.15235%0.347CS..SBendtrans-90.1150.4179.9-61.5-177.5000111.1K104 G105 P116 L121K104-L119 HydrophobicContact CB-CD1 4.16Å; K104-L119 HydrophobicContact CB-CD2 4.39Å; G105-L119 VanDerWaalsContact N-CD1 3.34Å; P116-L119 HydrophobicContact CB-CD1 4.18Å; P116-L119 HydrophobicContact CB-CG 4.15Å; P116-L119 HydrophobicContact CG-CD1 3.52Å; P116-L119 HydrophobicContact CG-CG 4.02Å; L119-L121 HydrophobicContact CB-CD1 3.97Å; L119-L121 HydrophobicContact CB-CG 3.89Å; L119-L121 HydrophobicContact CD1-CD1 4.11Å; L119-L121 PolarHBondContact O-N 3.48Å
120N83.6Confident86.2Confident141 Ų14169.8 Ų69.875%0.75437%0.373SS*.  trans-79.263.1179.3-65.6-37000110.9E101E101-N120 HydrophobicContact CG-CB 4.3Å
121L86.5Confident86.2Confident20 Ų2073.5 Ų73.511%0.10539%0.39CS..  trans-110.3145.2-176.6-64.5177.2000111.3E101 L102 L119 Q125 I126 L129E101-L121 HydrophobicContact CB-CD2 3.66Å; E101-L121 HydrophobicContact CB-CG 4.42Å; L102-L121 HydrophobicContact CD2-CD2 3.91Å; L102-L121 HydrophobicContact CG-CD2 4.25Å; L119-L121 HydrophobicContact CB-CD1 3.97Å; L119-L121 HydrophobicContact CB-CG 3.89Å; L119-L121 HydrophobicContact CD1-CD1 4.11Å; L119-L121 PolarHBondContact O-N 3.48Å; L121-Q125 HydrophobicContact CB-CB 4.15Å; L121-Q125 HydrophobicContact CD2-CB 4.4Å; L121-I126 HydrophobicContact CB-CD1 4.5Å; L121-I126 HydrophobicContact CB-CG1 3.91Å; L121-L129 HydrophobicContact CD1-CD1 3.42Å; L121-L129 VanDerWaalsContact CD1-CD1 3.42Å
122L89.6Confident86.3Confident116 Ų11672.6 Ų72.661%0.60738%0.382SS*.  trans-71.7155.2174.5-60.2178.4000110.8G124 Q125 I126L122-G124 PolarHBondContact O-N 3.46Å; L122-G124 VanDerWaalsContact O-N 3.15Å; L122-Q125 HydrophobicContact CB-CG 4.28Å; L122-Q125 WeakPolarHBondContact O-CA 3.37Å; L122-Q125 WeakPolarHBondContact O-CB 3.42Å; L122-Q125 PolarHBondContact O-N 3.07Å; L122-I126 PolarHBondContact O-N 2.89Å
123P86.8Confident86.5Confident107 Ų10768.6 Ų68.670%0.69537%0.366SS*.Hα-helixtrans-53.3-39-179.7-28.335.2000114.1I126 H127P123-I126 PolarHBondContact O-N 2.8Å; P123-H127 PolarHBondContact O-N 2.98Å
124G88.3Confident86.6Confident46 Ų4671.7 Ų71.747%0.47438%0.379SS..Hα-helixtrans-65.1-37175.600000113.3L122 H127 I128L122-G124 PolarHBondContact O-N 3.46Å; L122-G124 VanDerWaalsContact O-N 3.15Å; G124-H127 WeakPolarHBondContact O-CB 3.4Å; G124-H127 PolarHBondContact O-N 3.16Å; G124-I128 WeakPolarHBondContact O-CG1 3.34Å; G124-I128 PolarHBondContact O-N 3.48Å; G124-I128 VanDerWaalsContact O-N 3.15Å
125Q89.8Confident86.6Confident43 Ų4370.6 Ų70.620%0.20137%0.372CS..Hα-helixtrans-68.9-40.2176.2-63.9169.9-28.800110.9L102 L121 L122 H127 I128 L129L102-Q125 HydrophobicContact CD2-CB 4.05Å; L102-Q125 HydrophobicContact CD2-CG 3.93Å; L121-Q125 HydrophobicContact CB-CB 4.15Å; L121-Q125 HydrophobicContact CD2-CB 4.4Å; L122-Q125 HydrophobicContact CB-CG 4.28Å; L122-Q125 WeakPolarHBondContact O-CA 3.37Å; L122-Q125 WeakPolarHBondContact O-CB 3.42Å; L122-Q125 PolarHBondContact O-N 3.07Å; Q125-H127 VanDerWaalsContact C-N 3.29Å; Q125-H127 PolarHBondContact O-N 3.15Å; Q125-I128 PolarHBondContact O-N 2.85Å; Q125-L129 WeakPolarHBondContact O-CG 3.39Å; Q125-L129 PolarHBondContact O-N 3.39Å
126I89.5Confident86.5Confident37 Ų3769 Ų6919%0.1936%0.362CS..Hα-helixtrans-62.6-38.4174.7-62.8171.1000110.8V115 L121 L122 P123 L129 R130V115-I126 HydrophobicContact CG1-CG2 4.11Å; L121-I126 HydrophobicContact CB-CD1 4.5Å; L121-I126 HydrophobicContact CB-CG1 3.91Å; L122-I126 PolarHBondContact O-N 2.89Å; P123-I126 PolarHBondContact O-N 2.8Å; I126-L129 WeakPolarHBondContact O-CB 3.49Å; I126-L129 PolarHBondContact O-N 3.4Å; I126-R130 WeakPolarHBondContact O-CG 3.47Å; I126-R130 PolarHBondContact O-N 3.21Å
127H90.1Very high86.8Confident104 Ų10472.5 Ų72.548%0.48138%0.378SS..Hα-helixtrans-60.6-48175.5-173.276.9000111.7P123 G124 Q125 L129 R130 E131P123-H127 PolarHBondContact O-N 2.98Å; G124-H127 WeakPolarHBondContact O-CB 3.4Å; G124-H127 PolarHBondContact O-N 3.16Å; Q125-H127 VanDerWaalsContact C-N 3.29Å; Q125-H127 PolarHBondContact O-N 3.15Å; H127-L129 VanDerWaalsContact C-N 3.26Å; H127-L129 PolarHBondContact O-N 3.47Å; H127-R130 WeakPolarHBondContact O-CB 3.45Å; H127-R130 PolarHBondContact O-N 2.89Å; H127-E131 IonicContact CD2-OE1 2.79Å; H127-E131 PolarHBondContact CD2-OE1 3.42Å; H127-E131 IonicContact NE2-OE1 3.35Å; H127-E131 PolarHBondContact NE2-OE1 2.97Å; H127-E131 VanDerWaalsContact NE2-OE1 3.17Å; H127-E131 PolarHBondContact O-N 2.79Å
128I91Very high87.2Confident79 Ų7971.1 Ų71.141%0.40537%0.368SS..Hα-helixtrans-59.9-37.8176.6-63.8163.8000111.4F106 G124 Q125 E131 T132F106-I128 HydrophobicContact CE1-CG2 4.12Å; F106-I128 HydrophobicContact CZ-CG2 3.78Å; G124-I128 WeakPolarHBondContact O-CG1 3.34Å; G124-I128 PolarHBondContact O-N 3.48Å; G124-I128 VanDerWaalsContact O-N 3.15Å; Q125-I128 PolarHBondContact O-N 2.85Å; I128-E131 PolarHBondContact O-N 3.31Å; I128-T132 WeakPolarHBondContact O-CB 3.23Å; I128-T132 PolarHBondContact O-N 2.72Å; I128-T132 PolarHBondContact O-OG1 3.41Å
129L91.5Very high87.5Confident0 Ų068.1 Ų68.10%034%0.342CS..Hα-helixtrans-64.1-40.2174.4-70.5-178.1000112.4F106 V115 L121 Q125 I126 H127 T132 V133F106-L129 HydrophobicContact CB-CD2 4.28Å; F106-L129 HydrophobicContact CD1-CD2 3.52Å; F106-L129 HydrophobicContact CD2-CD2 3.97Å; F106-L129 HydrophobicContact CE1-CD2 3.73Å; F106-L129 HydrophobicContact CE2-CD2 4.14Å; F106-L129 HydrophobicContact CG-CD2 3.64Å; F106-L129 HydrophobicContact CZ-CD2 4.03Å; V115-L129 HydrophobicContact CG1-CB 4Å; V115-L129 HydrophobicContact CG1-CD1 4.33Å; V115-L129 HydrophobicContact CG2-CB 4.31Å; L121-L129 HydrophobicContact CD1-CD1 3.42Å; L121-L129 VanDerWaalsContact CD1-CD1 3.42Å; Q125-L129 WeakPolarHBondContact O-CG 3.39Å; Q125-L129 PolarHBondContact O-N 3.39Å; I126-L129 WeakPolarHBondContact O-CB 3.49Å; I126-L129 PolarHBondContact O-N 3.4Å; H127-L129 VanDerWaalsContact C-N 3.26Å; H127-L129 PolarHBondContact O-N 3.47Å; L129-T132 WeakPolarHBondContact O-CB 3.39Å; L129-T132 PolarHBondContact O-N 3.31Å; L129-V133 WeakPolarHBondContact O-CG2 3.35Å; L129-V133 PolarHBondContact O-N 2.89Å
130R90.7Very high87.5Confident145 Ų14570.3 Ų70.355%0.54735%0.353SS..Hα-helixtrans-62.6-45.8174.8-70.6175.7-177.4177.21.5111.5V115 I126 H127 T132 V133 Q134V115-R130 HydrophobicContact CG2-CB 4.39Å; V115-R130 HydrophobicContact CG2-CG 3.76Å; I126-R130 WeakPolarHBondContact O-CG 3.47Å; I126-R130 PolarHBondContact O-N 3.21Å; H127-R130 WeakPolarHBondContact O-CB 3.45Å; H127-R130 PolarHBondContact O-N 2.89Å; R130-T132 VanDerWaalsContact C-N 3.26Å; R130-T132 PolarHBondContact O-N 3.17Å; R130-V133 PolarHBondContact O-N 3.3Å; R130-Q134 PolarHBondContact O-N 2.78Å
131E90.1Very high87Confident78 Ų7869.5 Ų69.536%0.36435%0.354SS..Hα-helixtrans-59-40.2174.6-68.7-175.1176.600111.6H127 I128 Q134 K135H127-E131 IonicContact CD2-OE1 2.79Å; H127-E131 PolarHBondContact CD2-OE1 3.42Å; H127-E131 IonicContact NE2-OE1 3.35Å; H127-E131 PolarHBondContact NE2-OE1 2.97Å; H127-E131 VanDerWaalsContact NE2-OE1 3.17Å; H127-E131 PolarHBondContact O-N 2.79Å; I128-E131 PolarHBondContact O-N 3.31Å; E131-Q134 PolarHBondContact O-N 3.07Å; E131-K135 WeakPolarHBondContact O-CB 3.31Å; E131-K135 VanDerWaalsContact O-CG 3.3Å; E131-K135 WeakPolarHBondContact O-CG 3.48Å; E131-K135 PolarHBondContact O-N 3.45Å
132T90.1Very high86Confident5 Ų574.4 Ų74.43%0.03138%0.38CS..Hα-helixtrans-63.9-44.3178.2-60.30000111.7Y16 F106 V110 I128 L129 R130 Q134 K135 E136Y16-T132 HydrophobicContact CD1-CG2 3.75Å; Y16-T132 HydrophobicContact CD2-CG2 3.93Å; Y16-T132 HydrophobicContact CE1-CG2 4.33Å; Y16-T132 HydrophobicContact CE2-CG2 4.45Å; Y16-T132 HydrophobicContact CG-CG2 3.54Å; F106-T132 HydrophobicContact CD1-CG2 4.21Å; F106-T132 HydrophobicContact CE1-CG2 4.43Å; F106-T132 WeakPolarHBondContact CE1-OG1 3.22Å; V110-T132 HydrophobicContact CG1-CG2 4.12Å; I128-T132 WeakPolarHBondContact O-CB 3.23Å; I128-T132 PolarHBondContact O-N 2.72Å; I128-T132 PolarHBondContact O-OG1 3.41Å; L129-T132 WeakPolarHBondContact O-CB 3.39Å; L129-T132 PolarHBondContact O-N 3.31Å; R130-T132 VanDerWaalsContact C-N 3.26Å; R130-T132 PolarHBondContact O-N 3.17Å; T132-Q134 VanDerWaalsContact C-N 3.34Å; T132-K135 PolarHBondContact O-N 2.99Å; T132-E136 WeakPolarHBondContact O-CB 3.39Å; T132-E136 PolarHBondContact O-N 2.82Å
133V89.8Confident84.5Confident11 Ų1173 Ų737%0.06738%0.377CS..Hα-helixtrans-61.4-45175170.40000110.5C109 L113 V115 L129 R130 E136 Q137C109-V133 HydrophobicContact CB-CG2 3.59Å; L113-V133 VanDerWaalsContact O-CG1 3.22Å; L113-V133 WeakPolarHBondContact O-CG1 3.36Å; V115-V133 HydrophobicContact CG2-CB 4.49Å; V115-V133 HydrophobicContact CG2-CG2 3.82Å; L129-V133 WeakPolarHBondContact O-CG2 3.35Å; L129-V133 PolarHBondContact O-N 2.89Å; R130-V133 PolarHBondContact O-N 3.3Å; V133-E136 PolarHBondContact O-N 2.8Å; V133-Q137 HydrophobicContact CG1-CG 4.29Å; V133-Q137 WeakPolarHBondContact O-CB 3.37Å; V133-Q137 VanDerWaalsContact O-CG 3.27Å; V133-Q137 WeakPolarHBondContact O-CG 3.44Å; V133-Q137 PolarHBondContact O-N 3.39Å
134Q88.8Confident82.9Confident108 Ų10874.2 Ų74.251%0.50537%0.374SS..Hα-helixtrans-61.4-48.3177.9-178.2178.6-12.600111.4R130 E131 T132 E136 Q137 E138R130-Q134 PolarHBondContact O-N 2.78Å; E131-Q134 PolarHBondContact O-N 3.07Å; T132-Q134 VanDerWaalsContact C-N 3.34Å; Q134-E136 VanDerWaalsContact C-N 3.32Å; Q134-E136 PolarHBondContact O-N 3.16Å; Q134-Q137 WeakPolarHBondContact O-CB 3.46Å; Q134-Q137 PolarHBondContact O-N 3.35Å; Q134-Q137 VanDerWaalsContact O-N 3.16Å; Q134-E138 HydrophobicContact CG-CG 4.44Å; Q134-E138 WeakPolarHBondContact CG-OE1 3.39Å; Q134-E138 PolarHBondContact NE2-OE1 2.94Å; Q134-E138 WeakPolarHBondContact O-CB 3.36Å; Q134-E138 WeakPolarHBondContact O-CG 3.44Å; Q134-E138 PolarHBondContact O-N 2.94Å
135K86.4Confident80.9Confident101 Ų10177 Ų7744%0.43938%0.384SS..Hα-helixtrans-58.1-43.4176.4-75.4174.9-179.5172.70112Y16 E131 T132 E138 R139Y16-K135 HydrophobicContact CE1-CB 3.9Å; Y16-K135 HydrophobicContact CE1-CD 4.38Å; E131-K135 WeakPolarHBondContact O-CB 3.31Å; E131-K135 VanDerWaalsContact O-CG 3.3Å; E131-K135 WeakPolarHBondContact O-CG 3.48Å; E131-K135 PolarHBondContact O-N 3.45Å; T132-K135 PolarHBondContact O-N 2.99Å; K135-E138 PolarHBondContact O-N 2.74Å; K135-R139 WeakPolarHBondContact O-CB 3.44Å; K135-R139 PolarHBondContact O-N 3.26Å
136E85.8Confident78.5Confident0 Ų083.8 Ų83.80%041%0.413CS..Hα-helixtrans-69.3-36177.5179.562-169.100111.8Y16 G40 K41 L113 T132 V133 Q134 R139 L140Y16-E136 HydrophobicContact CE2-CB 4.34Å; Y16-E136 PolarHBondContact OH-OE2 2.84Å; Y16-E136 VanDerWaalsContact OH-OE2 3.07Å; G40-E136 WeakPolarHBondContact CA-OE2 3.39Å; K41-E136 VanDerWaalsContact CE-OE1 3.3Å; K41-E136 WeakPolarHBondContact CE-OE1 3.42Å; K41-E136 WeakPolarHBondContact CG-OE1 3.27Å; L113-E136 HydrophobicContact CD2-CB 4.16Å; L113-E136 HydrophobicContact CD2-CG 3.51Å; T132-E136 WeakPolarHBondContact O-CB 3.39Å; T132-E136 PolarHBondContact O-N 2.82Å; V133-E136 PolarHBondContact O-N 2.8Å; Q134-E136 VanDerWaalsContact C-N 3.32Å; Q134-E136 PolarHBondContact O-N 3.16Å; E136-R139 PolarHBondContact O-N 2.97Å; E136-R139 IonicContact OE1-CZ 3.63Å; E136-R139 IonicContact OE1-NE 2.89Å; E136-R139 IonicContact OE1-NH2 3.98Å; E136-R139 PolarHBondContact OE1-NH2 3.38Å; E136-R139 IonicContact OE2-CZ 2.61Å; E136-R139 IonicContact OE2-NE 3.54Å; E136-R139 PolarHBondContact OE2-NE 3.43Å; E136-R139 IonicContact OE2-NH2 2.73Å; E136-L140 HydrophobicContact CG-CD1 4.39Å; E136-L140 VanDerWaalsContact O-CG 3.25Å; E136-L140 WeakPolarHBondContact O-CG 3.49Å; E136-L140 PolarHBondContact O-N 3.26Å
137Q86.1Confident76.1Confident88 Ų8887.3 Ų87.341%0.41144%0.438SS..Hα-helixtrans-65.7-42.9172.9-76.3178.66.600111.9L113 V133 Q134 R139 L140 T141L113-Q137 HydrophobicContact CD2-CG 4.39Å; V133-Q137 HydrophobicContact CG1-CG 4.29Å; V133-Q137 WeakPolarHBondContact O-CB 3.37Å; V133-Q137 VanDerWaalsContact O-CG 3.27Å; V133-Q137 WeakPolarHBondContact O-CG 3.44Å; V133-Q137 PolarHBondContact O-N 3.39Å; Q134-Q137 WeakPolarHBondContact O-CB 3.46Å; Q134-Q137 PolarHBondContact O-N 3.35Å; Q134-Q137 VanDerWaalsContact O-N 3.16Å; Q137-R139 VanDerWaalsContact C-N 3.34Å; Q137-L140 PolarHBondContact O-N 2.93Å; Q137-T141 VanDerWaalsContact O-CB 3.31Å; Q137-T141 WeakPolarHBondContact O-CB 3.47Å; Q137-T141 PolarHBondContact O-N 3.42Å; Q137-T141 PolarHBondContact O-OG1 3.04Å
138E84.3Confident73.7Confident105 Ų10586 Ų8649%0.49144%0.44SS..Hα-helixtrans-61-44173.6-74.8172.7-167.900110.4Q134 K135 L140 T141 N142Q134-E138 HydrophobicContact CG-CG 4.44Å; Q134-E138 WeakPolarHBondContact CG-OE1 3.39Å; Q134-E138 PolarHBondContact NE2-OE1 2.94Å; Q134-E138 WeakPolarHBondContact O-CB 3.36Å; Q134-E138 WeakPolarHBondContact O-CG 3.44Å; Q134-E138 PolarHBondContact O-N 2.94Å; K135-E138 PolarHBondContact O-N 2.74Å; E138-L140 VanDerWaalsContact C-N 3.26Å; E138-L140 PolarHBondContact O-N 2.81Å; E138-T141 PolarHBondContact O-N 3.32Å; E138-N142 CarbonylContact O-C 3.51Å; E138-N142 WeakPolarHBondContact O-CA 3.44Å; E138-N142 WeakPolarHBondContact O-CB 3.49Å; E138-N142 PolarHBondContact O-N 3.02Å
139R80.6Confident71.3Confident68 Ų6886.7 Ų86.726%0.25745%0.45SS..Hα-helixtrans-62.6-29.8174.5-163.3-163.166.168.72.9113.2K135 E136 Q137 N142 P143K135-R139 WeakPolarHBondContact O-CB 3.44Å; K135-R139 PolarHBondContact O-N 3.26Å; E136-R139 PolarHBondContact O-N 2.97Å; E136-R139 IonicContact OE1-CZ 3.63Å; E136-R139 IonicContact OE1-NE 2.89Å; E136-R139 IonicContact OE1-NH2 3.98Å; E136-R139 PolarHBondContact OE1-NH2 3.38Å; E136-R139 IonicContact OE2-CZ 2.61Å; E136-R139 IonicContact OE2-NE 3.54Å; E136-R139 PolarHBondContact OE2-NE 3.43Å; E136-R139 IonicContact OE2-NH2 2.73Å; Q137-R139 VanDerWaalsContact C-N 3.34Å; R139-N142 CarbonylContact O-C 3.53Å; R139-P143 WeakPolarHBondContact O-CA 3.39Å
140L78.3Confident68.7Low74 Ų7492 Ų9239%0.38748%0.484SS..Hα-helixtrans-82.3-37.1176.5-71.4170.5000112.5L113 E136 Q137 E138L113-L140 HydrophobicContact CD1-CD1 3.63Å; L113-L140 HydrophobicContact CD2-CD1 4Å; L113-L140 HydrophobicContact CG-CD1 4.43Å; E136-L140 HydrophobicContact CG-CD1 4.39Å; E136-L140 VanDerWaalsContact O-CG 3.25Å; E136-L140 WeakPolarHBondContact O-CG 3.49Å; E136-L140 PolarHBondContact O-N 3.26Å; Q137-L140 PolarHBondContact O-N 2.93Å; E138-L140 VanDerWaalsContact C-N 3.26Å; E138-L140 PolarHBondContact O-N 2.81Å
141T74.1Confident66.3Low125 Ų12589.9 Ų89.977%0.76750%0.498SS*.Hα-helixtrans-78.8-36.1-178.6-51.30000111.2Q137 E138 P143Q137-T141 VanDerWaalsContact O-CB 3.31Å; Q137-T141 WeakPolarHBondContact O-CB 3.47Å; Q137-T141 PolarHBondContact O-N 3.42Å; Q137-T141 PolarHBondContact O-OG1 3.04Å; E138-T141 PolarHBondContact O-N 3.32Å; T141-P143 WeakPolarHBondContact O-CD 3.48Å
142N64.6Low63.9Low122 Ų12289.3 Ų89.365%0.65251%0.506SS*.SBendtrans-116.978.5170.6-168.813.3000107.4E138 R139 E144E138-N142 CarbonylContact O-C 3.51Å; E138-N142 WeakPolarHBondContact O-CA 3.44Å; E138-N142 WeakPolarHBondContact O-CB 3.49Å; E138-N142 PolarHBondContact O-N 3.02Å; R139-N142 CarbonylContact O-C 3.53Å; N142-E144 PolarHBondContact O-N 3.29Å
143P58.2Low61.7Low86 Ų8692.9 Ų92.956%0.55853%0.528SS*.  trans-56108.1174.323.9-31.4000107.4R139 T141 P145R139-P143 WeakPolarHBondContact O-CA 3.39Å; T141-P143 WeakPolarHBondContact O-CD 3.48Å; P143-P145 VanDerWaalsContact O-N 3.14Å
144E53.2Low59.6Low133 Ų133101.7 Ų101.762%0.62157%0.566SS**  trans-39.5125.5172.2-164.8-177.2-167.400107.2N142 K146N142-E144 PolarHBondContact O-N 3.29Å; E144-K146 PolarHBondContact O-N 3.31Å
145P45.3Very low57.8Low106 Ų106102.2 Ų102.269%0.68858%0.576SS**  trans-52.4120.6-175.717.6-27.5000106.6P143P143-P145 VanDerWaalsContact O-N 3.14Å
146K40.2Very low56.7Low185 Ų185103.4 Ų103.480%0.80458%0.583SS**  trans-31.8134.6172.6-75177.3177.9178.30107.8E144 S148E144-K146 PolarHBondContact O-N 3.31Å; K146-S148 VanDerWaalsContact C-N 3.3Å; K146-S148 PolarHBondContact O-N 3.05Å
147P39.5Very low56.4Low110 Ų110106.5 Ų106.571%0.71460%0.599SS**  trans-45105.9-176.418.9-31.5000106.9
148S39.9Very low56.3Low76 Ų76102.7 Ų102.753%0.53158%0.581SS.*  trans-57.3144.9173.828.70000105K146K146-S148 VanDerWaalsContact C-N 3.3Å; K146-S148 PolarHBondContact O-N 3.05Å
149P39.5Very low56.3Low94 Ų94101.4 Ų101.461%0.6159%0.589SS**SBendtrans-45.5141169.318.6-29.3000109A151P149-A151 PolarHBondContact O-N 2.97Å
150P37.6Very low56.7Low112 Ų11298.2 Ų98.273%0.72758%0.577SS**SBendtrans-44.4123.1-157.118.2-33.7000111.7A152P150-A152 VanDerWaalsContact O-CB 3.32Å; P150-A152 WeakPolarHBondContact O-CB 3.49Å; P150-A152 PolarHBondContact O-N 3.34Å
151A39.4Very low57.3Low101 Ų10197.5 Ų97.584%0.83557%0.57SS**SBendtrans20.425.6153.800000120.9P149P149-A151 PolarHBondContact O-N 2.97Å
152A40.5Very low58.1Low65 Ų6593.3 Ų93.354%0.53754%0.54SS..  trans-121.1-12.8-177.100000111.5P150P150-A152 VanDerWaalsContact O-CB 3.32Å; P150-A152 WeakPolarHBondContact O-CB 3.49Å; P150-A152 PolarHBondContact O-N 3.34Å
153V43.6Very low59.3Low81 Ų8195.3 Ų95.349%0.49155%0.546SS..G310 helixtrans-93.5-10.3-177.8-170.50000112.9T155 E156V153-T155 PolarHBondContact O-N 3.43Å; V153-E156 PolarHBondContact O-N 3.01Å
154K46.3Very low60.7Low196 Ų19691.9 Ų91.985%0.85252%0.523SS*.G310 helixtrans-70-8.3166.9-69.8-170.7179.8-175.60112.6
155T49.9Very low62.5Low119 Ų11989.3 Ų89.373%0.7352%0.518SS*.G310 helixtrans-97-8.3179.2-49.50000113.1V153V153-T155 PolarHBondContact O-N 3.43Å
156E64.2Low64.5Low125 Ų12589 Ų8958%0.58450%0.503SS*.SBendtrans-1006.6-178.5-88-167162.600114.7V153 H233V153-E156 PolarHBondContact O-N 3.01Å; E156-H233 PolarHBondContact O-CE1 3.3Å; E156-H233 PolarHBondContact O-ND1 3.37Å
157M79.5Confident66.9Low66 Ų6685.5 Ų85.533%0.32549%0.493SS..SBendtrans-93.4128.8177.3-160.366.671.700110.6Y161 L184 F193 L232M157-Y161 HydrophobicContact CE-CD1 4.4Å; M157-Y161 HydrophobicContact CE-CD2 4.27Å; M157-Y161 HydrophobicContact CE-CE1 4.25Å; M157-Y161 HydrophobicContact CE-CE2 4.11Å; M157-Y161 HydrophobicContact CE-CG 4.4Å; M157-Y161 HydrophobicContact CG-CD1 3.43Å; M157-Y161 VanDerWaalsContact CG-CD1 3.43Å; M157-Y161 HydrophobicContact CG-CD2 3.85Å; M157-Y161 HydrophobicContact CG-CE1 4.18Å; M157-Y161 HydrophobicContact CG-CG 3.22Å; M157-Y161 HydrophobicContact SD-CD1 4.05Å; M157-Y161 HydrophobicContact SD-CD2 3.46Å; M157-Y161 WeakPolarHBondContact SD-CD2 3.47Å; M157-Y161 HydrophobicContact SD-CE1 4.42Å; M157-Y161 HydrophobicContact SD-CE2 3.88Å; M157-Y161 HydrophobicContact SD-CG 3.54Å; M157-Y161 VanDerWaalsContact SD-CG 3.54Å; M157-L184 HydrophobicContact SD-CD2 4.38Å; M157-F193 HydrophobicContact CE-CE1 4.29Å; M157-L232 HydrophobicContact SD-CD1 3.93Å
158P84.5Confident69.3Low7 Ų785.2 Ų85.25%0.04548%0.482CS..  trans-63.4151-179.325-33.5000111.6C160 Y161 L184 L232 H233 V236P158-C160 PolarHBondContact O-N 3.15Å; P158-Y161 VanDerWaalsContact O-CB 3.26Å; P158-Y161 WeakPolarHBondContact O-CB 3.42Å; P158-Y161 PolarHBondContact O-N 2.91Å; P158-L184 HydrophobicContact CG-CD2 3.52Å; P158-L232 HydrophobicContact CG-CB 4.41Å; P158-H233 WeakPolarHBondContact CA-NE2 3.44Å; P158-V236 HydrophobicContact CB-CG2 4.29Å; P158-V236 HydrophobicContact CG-CG2 4.15Å
159A83.7Confident71.8Confident78 Ų7881.6 Ų81.665%0.64546%0.457SS*.THydrogen-bonded Turntrans-56.3-25.4-17700000114Y161A159-Y161 VanDerWaalsContact C-N 3.29Å; A159-Y161 PolarHBondContact O-N 3.49Å
160C88Confident74.4Confident2 Ų278.8 Ų78.81%0.01444%0.435CS..THydrogen-bonded Turntrans-88.915.7177.365.10000114.4P158 Y162 L184 P249 L250P158-C160 PolarHBondContact O-N 3.15Å; C160-Y162 WeakPolarHBondContact O-CD2 3.46Å; C160-L184 PolarHBondContact O-N 3.24Å; C160-P249 HydrophobicContact CB-CB 3.69Å; C160-L250 VanDerWaalsContact CA-O 3.26Å; C160-L250 WeakPolarHBondContact CA-O 3.3Å; C160-L250 WeakPolarHBondContact CB-O 3.31Å
161Y91.3Very high77.1Confident58 Ų5878 Ų7823%0.22743%0.425CS..BIsolated β-bridgetrans-83.5125.8174.3177.6-96.6000112M157 P158 A159 E163 L184 F193M157-Y161 HydrophobicContact CE-CD1 4.4Å; M157-Y161 HydrophobicContact CE-CD2 4.27Å; M157-Y161 HydrophobicContact CE-CE1 4.25Å; M157-Y161 HydrophobicContact CE-CE2 4.11Å; M157-Y161 HydrophobicContact CE-CG 4.4Å; M157-Y161 HydrophobicContact CG-CD1 3.43Å; M157-Y161 VanDerWaalsContact CG-CD1 3.43Å; M157-Y161 HydrophobicContact CG-CD2 3.85Å; M157-Y161 HydrophobicContact CG-CE1 4.18Å; M157-Y161 HydrophobicContact CG-CG 3.22Å; M157-Y161 HydrophobicContact SD-CD1 4.05Å; M157-Y161 HydrophobicContact SD-CD2 3.46Å; M157-Y161 WeakPolarHBondContact SD-CD2 3.47Å; M157-Y161 HydrophobicContact SD-CE1 4.42Å; M157-Y161 HydrophobicContact SD-CE2 3.88Å; M157-Y161 HydrophobicContact SD-CG 3.54Å; M157-Y161 VanDerWaalsContact SD-CG 3.54Å; P158-Y161 VanDerWaalsContact O-CB 3.26Å; P158-Y161 WeakPolarHBondContact O-CB 3.42Å; P158-Y161 PolarHBondContact O-N 2.91Å; A159-Y161 VanDerWaalsContact C-N 3.29Å; A159-Y161 PolarHBondContact O-N 3.49Å; Y161-E163 HydrophobicContact CE1-CB 4.38Å; Y161-L184 CarbonylContact C-O 3.56Å; Y161-L184 WeakPolarHBondContact CA-O 3.22Å; Y161-L184 HydrophobicContact CD2-CB 4.36Å; Y161-L184 HydrophobicContact CD2-CD2 4Å; Y161-L184 HydrophobicContact CD2-CG 4.02Å; Y161-F193 HydrophobicContact CE2-CD1 4.18Å; Y161-F193 HydrophobicContact CE2-CE1 4Å
162Y90.4Very high79.5Confident38 Ų3874.9 Ų74.915%0.14939%0.394CS..  trans-129.3131.5174.8-64.4-85.9000109.8C160 V164 L172 L183 L184 R185 P186 L250 I252C160-Y162 WeakPolarHBondContact O-CD2 3.46Å; Y162-V164 PolarHBondContact O-N 3.37Å; Y162-L172 HydrophobicContact CD1-CD2 4.1Å; Y162-L172 HydrophobicContact CD2-CD2 4.31Å; Y162-L172 HydrophobicContact CG-CD2 3.97Å; Y162-L183 HydrophobicContact CD2-CB 4.1Å; Y162-L183 HydrophobicContact CD2-CD2 4.46Å; Y162-L184 PolarHBondContact N-O 3.08Å; Y162-R185 WeakPolarHBondContact O-CA 3.39Å; Y162-R185 WeakPolarHBondContact O-CB 3.4Å; Y162-P186 WeakPolarHBondContact O-CD 3.1Å; Y162-L250 HydrophobicContact CD2-CD2 4.21Å; Y162-L250 HydrophobicContact CE2-CB 4.25Å; Y162-L250 HydrophobicContact CE2-CD2 3.72Å; Y162-L250 HydrophobicContact CE2-CG 3.95Å; Y162-I252 HydrophobicContact CE1-CB 4.35Å; Y162-I252 HydrophobicContact CE1-CD1 4.41Å; Y162-I252 HydrophobicContact CE1-CG1 4.46Å; Y162-I252 WeakPolarHBondContact OH-CB 3.42Å; Y162-I252 WeakPolarHBondContact OH-CG1 3.46Å; Y162-I252 PolarHBondContact OH-N 3.32Å
163E89.6Confident82Confident164 Ų16471.8 Ų71.877%0.76637%0.368SS*.  trans-8068.9177.7-166.5170.6-170.200110.8Y161 P186Y161-E163 HydrophobicContact CE1-CB 4.38Å; E163-P186 HydrophobicContact CG-CG 4.27Å
164V89Confident84.3Confident13 Ų1373 Ų738%0.07937%0.369CS..  trans-128.7145.9-175.2-63.90000111.8Y162 E168 A169 R185Y162-V164 PolarHBondContact O-N 3.37Å; V164-E168 HydrophobicContact CB-CB 4.07Å; V164-E168 HydrophobicContact CB-CG 3.94Å; V164-E168 HydrophobicContact CG1-CG 3.91Å; V164-A169 HydrophobicContact CG2-CB 3.91Å; V164-R185 HydrophobicContact CG2-CB 4.27Å
165P89.7Confident86.4Confident79 Ų7973.6 Ų73.651%0.51337%0.366SS..  trans-68.9171171.630.4-35.8000112.1L167 E168 A169P165-L167 VanDerWaalsContact C-N 3.34Å; P165-L167 PolarHBondContact O-N 3.2Å; P165-E168 VanDerWaalsContact CD-OE2 3.22Å; P165-E168 WeakPolarHBondContact CD-OE2 3.47Å; P165-E168 HydrophobicContact CG-CB 3.86Å; P165-E168 PolarHBondContact O-N 3.4Å; P165-A169 PolarHBondContact O-N 2.88Å
166Y88.2Confident88.2Confident99 Ų9969.4 Ų69.439%0.38834%0.338SS..Hα-helixtrans-48.3-50.3-179.2171.7-77.7000113.6A169 E170 H208Y166-A169 WeakPolarHBondContact O-CB 3.44Å; Y166-A169 PolarHBondContact O-N 3.26Å; Y166-E170 HydrophobicContact CE1-CG 4.26Å; Y166-E170 WeakPolarHBondContact CE1-OE1 3.29Å; Y166-E170 WeakPolarHBondContact CE1-OE2 3.32Å; Y166-E170 PolarHBondContact O-N 2.96Å; Y166-E170 PolarHBondContact OH-OE1 3.12Å; Y166-H208 AromaticContact CD2-CE1 3.56Å; Y166-H208 AromaticContact CD2-CG 3.8Å; Y166-H208 AromaticContact CD2-ND1 3.54Å; Y166-H208 AromaticContact CD2-NE2 3.93Å; Y166-H208 HydrophobicContact CE2-CB 4.23Å; Y166-H208 AromaticContact CE2-CD2 3.12Å; Y166-H208 WeakPolarHBondContact CE2-CD2 3.46Å; Y166-H208 AromaticContact CE2-CE1 3.21Å; Y166-H208 WeakPolarHBondContact CE2-CE1 3.3Å; Y166-H208 AromaticContact CE2-CG 3.32Å; Y166-H208 AromaticContact CE2-ND1 3.42Å; Y166-H208 WeakPolarHBondContact CE2-ND1 3.36Å; Y166-H208 AromaticContact CE2-NE2 3.1Å; Y166-H208 WeakPolarHBondContact CE2-NE2 3.42Å; Y166-H208 AromaticContact CZ-CD2 3.56Å; Y166-H208 AromaticContact CZ-CE1 3.5Å; Y166-H208 AromaticContact CZ-NE2 3.13Å; Y166-H208 PolarHBondContact OH-CD2 2.9Å; Y166-H208 PolarHBondContact OH-NE2 3.35Å
167L90.6Very high89.3Confident113 Ų11365.5 Ų65.559%0.59233%0.327SS*.Hα-helixtrans-70.7-40.9-172.4-176.965.2000111.4P165 A169 E170 L171P165-L167 VanDerWaalsContact C-N 3.34Å; P165-L167 PolarHBondContact O-N 3.2Å; L167-A169 VanDerWaalsContact C-N 3.28Å; L167-A169 PolarHBondContact O-N 2.88Å; L167-E170 PolarHBondContact O-N 2.68Å; L167-L171 HydrophobicContact CG-CD1 4.5Å; L167-L171 WeakPolarHBondContact O-CG 3.38Å; L167-L171 PolarHBondContact O-N 3.24Å
168E90.6Very high89.6Confident103 Ų10367.5 Ų67.548%0.48135%0.347SS..Hα-helixtrans-67.6-32.3178.1-174.8173.6175.300111.6V164 P165 L171 L172V164-E168 HydrophobicContact CB-CB 4.07Å; V164-E168 HydrophobicContact CB-CG 3.94Å; V164-E168 HydrophobicContact CG1-CG 3.91Å; P165-E168 VanDerWaalsContact CD-OE2 3.22Å; P165-E168 WeakPolarHBondContact CD-OE2 3.47Å; P165-E168 HydrophobicContact CG-CB 3.86Å; P165-E168 PolarHBondContact O-N 3.4Å; E168-L171 PolarHBondContact O-N 3.41Å; E168-L172 VanDerWaalsContact O-CB 3.27Å; E168-L172 WeakPolarHBondContact O-CB 3.41Å; E168-L172 PolarHBondContact O-N 2.84Å
169A92.5Very high89.6Confident0 Ų071.6 Ų71.60%036%0.364CS..Hα-helixtrans-65.1-39.5174.100000113.5V164 P165 Y166 L167 L172 L173 L183 T196V164-A169 HydrophobicContact CG2-CB 3.91Å; P165-A169 PolarHBondContact O-N 2.88Å; Y166-A169 WeakPolarHBondContact O-CB 3.44Å; Y166-A169 PolarHBondContact O-N 3.26Å; L167-A169 VanDerWaalsContact C-N 3.28Å; L167-A169 PolarHBondContact O-N 2.88Å; A169-L172 PolarHBondContact O-N 2.98Å; A169-L173 WeakPolarHBondContact O-CG 3.13Å; A169-L173 PolarHBondContact O-N 3.19Å; A169-L173 VanDerWaalsContact O-N 3.15Å; A169-L183 HydrophobicContact CB-CD1 3.88Å; A169-L183 HydrophobicContact CB-CD2 4.19Å; A169-L183 HydrophobicContact CB-CG 4.48Å; A169-T196 HydrophobicContact CB-CG2 4.39Å
170E93.7Very high89.9Confident35 Ų3568.1 Ų68.116%0.16434%0.337CS..Hα-helixtrans-63.2-48.9174.3-67.7179.7150.800110.2Y166 L167 L172 L173 E174 T196 F206 H208Y166-E170 HydrophobicContact CE1-CG 4.26Å; Y166-E170 WeakPolarHBondContact CE1-OE1 3.29Å; Y166-E170 WeakPolarHBondContact CE1-OE2 3.32Å; Y166-E170 PolarHBondContact O-N 2.96Å; Y166-E170 PolarHBondContact OH-OE1 3.12Å; L167-E170 PolarHBondContact O-N 2.68Å; E170-L172 VanDerWaalsContact C-N 3.29Å; E170-L172 PolarHBondContact O-N 2.94Å; E170-L173 PolarHBondContact O-N 3.35Å; E170-E174 WeakPolarHBondContact O-CB 3.02Å; E170-E174 PolarHBondContact O-N 2.68Å; E170-T196 HydrophobicContact CG-CG2 4.47Å; E170-F206 HydrophobicContact CB-CD1 4.04Å; E170-F206 HydrophobicContact CB-CE1 4.11Å; E170-F206 HydrophobicContact CB-CG 4.37Å; E170-F206 HydrophobicContact CG-CB 4.17Å; E170-F206 HydrophobicContact CG-CD1 3.95Å; E170-F206 HydrophobicContact CG-CG 4.01Å; E170-F206 WeakPolarHBondContact O-CE1 3.49Å; E170-H208 IonicContact OE1-CE1 2.72Å; E170-H208 IonicContact OE1-NE2 2.85Å; E170-H208 PolarHBondContact OE1-NE2 3.44Å
171L93Very high90.2Very high96 Ų9669.3 Ų69.350%0.50334%0.343SS..Hα-helixtrans-60.5-37177.7-67.8172.4000112.5L167 E168 E174 R175L167-L171 HydrophobicContact CG-CD1 4.5Å; L167-L171 WeakPolarHBondContact O-CG 3.38Å; L167-L171 PolarHBondContact O-N 3.24Å; E168-L171 PolarHBondContact O-N 3.41Å; L171-E174 PolarHBondContact O-N 2.83Å; L171-R175 VanDerWaalsContact O-CB 3.28Å; L171-R175 WeakPolarHBondContact O-CB 3.42Å; L171-R175 PolarHBondContact O-N 2.88Å
172L91.6Very high90.3Very high36 Ų3666.6 Ų66.619%0.18833%0.332CS..Hα-helixtrans-67.6-42.2179.2-168.864000111.5Y162 E168 A169 E170 E174 E176 L183 L250 I252Y162-L172 HydrophobicContact CD1-CD2 4.1Å; Y162-L172 HydrophobicContact CD2-CD2 4.31Å; Y162-L172 HydrophobicContact CG-CD2 3.97Å; E168-L172 VanDerWaalsContact O-CB 3.27Å; E168-L172 WeakPolarHBondContact O-CB 3.41Å; E168-L172 PolarHBondContact O-N 2.84Å; A169-L172 PolarHBondContact O-N 2.98Å; E170-L172 VanDerWaalsContact C-N 3.29Å; E170-L172 PolarHBondContact O-N 2.94Å; L172-E174 VanDerWaalsContact C-N 3.32Å; L172-E176 VanDerWaalsContact O-CB 3.32Å; L172-E176 WeakPolarHBondContact O-CB 3.29Å; L172-E176 PolarHBondContact O-N 3.47Å; L172-L183 HydrophobicContact CB-CD2 4.34Å; L172-L183 HydrophobicContact CD2-CD2 4.01Å; L172-L183 HydrophobicContact CG-CD2 4.5Å; L172-L250 HydrophobicContact CD2-CD2 3.95Å; L172-L250 HydrophobicContact CG-CD2 4Å; L172-I252 HydrophobicContact CD1-CD1 3.59Å; L172-I252 HydrophobicContact CD2-CD1 4.11Å; L172-I252 HydrophobicContact CG-CD1 3.88Å
173L92.3Very high90.5Very high0 Ų064.8 Ų64.80%033%0.325CS..Hα-helixtrans-70.8-28.5174.8-70.5173.3000112.9A169 E170 A177 L183 T196 R198 F206 L250A169-L173 WeakPolarHBondContact O-CG 3.13Å; A169-L173 PolarHBondContact O-N 3.19Å; A169-L173 VanDerWaalsContact O-N 3.15Å; E170-L173 PolarHBondContact O-N 3.35Å; L173-A177 WeakPolarHBondContact O-CA 3.27Å; L173-A177 PolarHBondContact O-N 3Å; L173-L183 HydrophobicContact CD1-CD2 4.21Å; L173-L183 HydrophobicContact CD1-CG 4.19Å; L173-L183 HydrophobicContact CD2-CB 4.36Å; L173-L183 HydrophobicContact CD2-CD2 3.97Å; L173-L183 HydrophobicContact CD2-CG 4.26Å; L173-L183 HydrophobicContact CG-CD2 3.71Å; L173-L183 HydrophobicContact CG-CG 4.17Å; L173-T196 HydrophobicContact CD1-CG2 3.6Å; L173-R198 HydrophobicContact CB-CB 4.12Å; L173-R198 HydrophobicContact CD1-CB 4.24Å; L173-R198 VanDerWaalsContact O-CD 3.31Å; L173-R198 WeakPolarHBondContact O-CD 3.36Å; L173-F206 HydrophobicContact CB-CE1 4.16Å; L173-L250 HydrophobicContact CD2-CB 4.27Å; L173-L250 HydrophobicContact CD2-CD2 4.05Å
174E91.8Very high90.7Very high107 Ų10757 Ų5750%0.529%0.288SS..Hα-helixtrans-71.2-48.5173.5-172.7170-149.100111.3E170 L171 L172 E176 F206E170-E174 WeakPolarHBondContact O-CB 3.02Å; E170-E174 PolarHBondContact O-N 2.68Å; L171-E174 PolarHBondContact O-N 2.83Å; L172-E174 VanDerWaalsContact C-N 3.32Å; E174-E176 VanDerWaalsContact C-N 3.32Å; E174-E176 PolarHBondContact O-N 3.15Å; E174-F206 HydrophobicContact CB-CZ 4.2Å
175R90Very high90.9Very high208 Ų20857.1 Ų57.179%0.78529%0.288SS*.Hα-helixtrans-62.8-40.5178.4179.4178.1173170.41112L171L171-R175 VanDerWaalsContact O-CB 3.28Å; L171-R175 WeakPolarHBondContact O-CB 3.42Å; L171-R175 PolarHBondContact O-N 2.88Å
176E88.4Confident91Very high30 Ų3055.3 Ų55.314%0.1428%0.276CS..THydrogen-bonded Turntrans-111.836.9-171.4-145.972.8-145.300113.1L172 E174 S178 K179 L250 I252L172-E176 VanDerWaalsContact O-CB 3.32Å; L172-E176 WeakPolarHBondContact O-CB 3.29Å; L172-E176 PolarHBondContact O-N 3.47Å; E174-E176 VanDerWaalsContact C-N 3.32Å; E174-E176 PolarHBondContact O-N 3.15Å; E176-S178 PolarHBondContact O-N 3.03Å; E176-K179 HydrophobicContact CG-CB 3.76Å; E176-K179 HydrophobicContact CG-CD 3.59Å; E176-K179 HydrophobicContact CG-CG 3.72Å; E176-K179 PolarHBondContact O-N 2.78Å; E176-K179 WeakPolarHBondContact OE1-CD 3.35Å; E176-K179 WeakPolarHBondContact OE1-CE 3.47Å; E176-K179 IonicContact OE1-NZ 3.5Å; E176-K179 PolarHBondContact OE1-NZ 2.83Å; E176-L250 HydrophobicContact CB-CD1 4.05Å; E176-L250 HydrophobicContact CG-CD1 4.2Å; E176-I252 HydrophobicContact CB-CD1 4.15Å; E176-I252 HydrophobicContact CG-CD1 4.08Å; E176-I252 HydrophobicContact CG-CG1 4.04Å
177A86.7Confident91Very high43 Ų4351.6 Ų51.636%0.35527%0.267SS..THydrogen-bonded Turntrans-53.5-25.7-179.500000114.3L173 R198L173-A177 WeakPolarHBondContact O-CA 3.27Å; L173-A177 PolarHBondContact O-N 3Å; A177-R198 VanDerWaalsContact CB-NH1 3.31Å
178S85.7Confident90.6Very high109 Ų10956.1 Ų56.176%0.76228%0.282SS*.THydrogen-bonded Turntrans-79.5-22179.7560000114.5E176E176-S178 PolarHBondContact O-N 3.03Å
179K85.8Confident90.2Very high92 Ų9256.6 Ų56.640%0.429%0.285SS..THydrogen-bonded Turntrans-100.7-4.4-175-60.2-172.5-178.3145.10114E176 L250 N251E176-K179 HydrophobicContact CG-CB 3.76Å; E176-K179 HydrophobicContact CG-CD 3.59Å; E176-K179 HydrophobicContact CG-CG 3.72Å; E176-K179 PolarHBondContact O-N 2.78Å; E176-K179 WeakPolarHBondContact OE1-CD 3.35Å; E176-K179 WeakPolarHBondContact OE1-CE 3.47Å; E176-K179 IonicContact OE1-NZ 3.5Å; E176-K179 PolarHBondContact OE1-NZ 2.83Å; K179-L250 HydrophobicContact CB-CD1 4.04Å; K179-N251 PolarHBondContact O-N 3.14Å
180G89.9Confident89.5Confident6 Ų667 Ų676%0.06233%0.33CS..  trans149.3164.3176.400000111.7T248G180-T248 WeakPolarHBondContact CA-O 3.49Å
181N92.9Very high88.8Confident27 Ų2767.5 Ų67.514%0.14435%0.345CS..SBendtrans-129.812.8-172.465.6-31.7000112.5T197 R198 S246 T248N181-T197 CarbonylContact O-C 3.53Å; N181-T197 VanDerWaalsContact O-CA 3.3Å; N181-T197 WeakPolarHBondContact O-CA 3.29Å; N181-R198 HydrophobicContact CB-CB 4.38Å; N181-R198 WeakPolarHBondContact CB-O 3.42Å; N181-R198 PolarHBondContact ND2-O 2.58Å; N181-R198 VanDerWaalsContact ND2-O 3.14Å; N181-R198 PolarHBondContact O-N 2.91Å; N181-S246 PolarHBondContact ND2-O 2.95Å; N181-T248 PolarHBondContact N-O 3.4Å; N181-T248 PolarHBondContact OD1-N 3.4Å; N181-T248 PolarHBondContact OD1-O 3.16Å
182L93.6Very high88.6Confident0 Ų063.2 Ų63.20%032%0.323CS..EExtended strand (participates in β ladder)trans-136.8130.2176.4174.6140.8000110.6I195 T197 V236 M239 F247 T248 P249 L250L182-I195 HydrophobicContact CD1-CG2 3.83Å; L182-I195 HydrophobicContact CG-CG2 3.95Å; L182-T197 HydrophobicContact CB-CG2 4.33Å; L182-T197 HydrophobicContact CD1-CG2 3.71Å; L182-T197 HydrophobicContact CG-CG2 4.12Å; L182-V236 HydrophobicContact CD2-CG1 3.97Å; L182-M239 HydrophobicContact CD1-CB 3.76Å; L182-M239 HydrophobicContact CD1-CG 4.3Å; L182-F247 HydrophobicContact CB-CB 4.14Å; L182-F247 HydrophobicContact CD1-CB 3.82Å; L182-F247 HydrophobicContact CD1-CD2 4.21Å; L182-F247 HydrophobicContact CD1-CG 3.99Å; L182-T248 PolarHBondContact N-O 3.42Å; L182-T248 VanDerWaalsContact N-O 3.13Å; L182-P249 HydrophobicContact CD2-CB 4.39Å; L182-P249 HydrophobicContact CD2-CG 4.41Å; L182-P249 CarbonylContact O-C 3.57Å; L182-P249 WeakPolarHBondContact O-CA 3.45Å; L182-L250 WeakPolarHBondContact O-CB 3.31Å; L182-L250 PolarHBondContact O-N 2.91Å
183L94.1Very high88.7Confident0 Ų063 Ų630%032%0.32CS..EExtended strand (participates in β ladder)trans-137.7153.5172.973.877000112.3Y162 A169 L172 L173 R185 I195 T196 L250Y162-L183 HydrophobicContact CD2-CB 4.1Å; Y162-L183 HydrophobicContact CD2-CD2 4.46Å; A169-L183 HydrophobicContact CB-CD1 3.88Å; A169-L183 HydrophobicContact CB-CD2 4.19Å; A169-L183 HydrophobicContact CB-CG 4.48Å; L172-L183 HydrophobicContact CB-CD2 4.34Å; L172-L183 HydrophobicContact CD2-CD2 4.01Å; L172-L183 HydrophobicContact CG-CD2 4.5Å; L173-L183 HydrophobicContact CD1-CD2 4.21Å; L173-L183 HydrophobicContact CD1-CG 4.19Å; L173-L183 HydrophobicContact CD2-CB 4.36Å; L173-L183 HydrophobicContact CD2-CD2 3.97Å; L173-L183 HydrophobicContact CD2-CG 4.26Å; L173-L183 HydrophobicContact CG-CD2 3.71Å; L173-L183 HydrophobicContact CG-CG 4.17Å; L183-R185 HydrophobicContact CD1-CB 3.97Å; L183-R185 HydrophobicContact CD1-CG 4.25Å; L183-I195 WeakPolarHBondContact O-CA 3.26Å; L183-T196 PolarHBondContact N-O 3.37Å; L183-T196 PolarHBondContact O-N 3.04Å; L183-L250 HydrophobicContact CB-CB 4.18Å; L183-L250 HydrophobicContact CB-CD2 4.2Å; L183-L250 HydrophobicContact CD2-CD2 3.84Å
184L93.8Very high88.7Confident0 Ų063.3 Ų63.30%032%0.323CS..EExtended strand (participates in β ladder)trans-102.7139.4174.5-174.771.1000109.6M157 P158 C160 Y161 Y162 F193 I195 I211 L232M157-L184 HydrophobicContact SD-CD2 4.38Å; P158-L184 HydrophobicContact CG-CD2 3.52Å; C160-L184 PolarHBondContact O-N 3.24Å; Y161-L184 CarbonylContact C-O 3.56Å; Y161-L184 WeakPolarHBondContact CA-O 3.22Å; Y161-L184 HydrophobicContact CD2-CB 4.36Å; Y161-L184 HydrophobicContact CD2-CD2 4Å; Y161-L184 HydrophobicContact CD2-CG 4.02Å; Y162-L184 PolarHBondContact N-O 3.08Å; L184-F193 HydrophobicContact CD1-CB 4.18Å; L184-I195 HydrophobicContact CD1-CD1 4.36Å; L184-I195 HydrophobicContact CD1-CG1 3.57Å; L184-I211 HydrophobicContact CD1-CD1 3.66Å; L184-L232 HydrophobicContact CD2-CB 4.12Å; L184-L232 HydrophobicContact CD2-CD1 4.11Å; L184-L232 HydrophobicContact CD2-CD2 4.29Å; L184-L232 HydrophobicContact CD2-CG 4.4Å
185R93.4Very high88.8Confident17 Ų1758.2 Ų58.26%0.06430%0.299CS..EExtended strand (participates in β ladder)trans-146.4162.6-179.465.2176.5-178.175.71.1112.5Y162 V164 L183 A194 T196Y162-R185 WeakPolarHBondContact O-CA 3.39Å; Y162-R185 WeakPolarHBondContact O-CB 3.4Å; V164-R185 HydrophobicContact CG2-CB 4.27Å; L183-R185 HydrophobicContact CD1-CB 3.97Å; L183-R185 HydrophobicContact CD1-CG 4.25Å; R185-A194 HydrophobicContact CG-CB 4.24Å; R185-A194 WeakPolarHBondContact CG-O 3.46Å; R185-A194 PolarHBondContact N-O 3.17Å; R185-A194 PolarHBondContact O-N 2.81Å; R185-T196 PolarHBondContact NE-OG1 3.38Å
186P92.7Very high89Confident40 Ų4048.3 Ų48.326%0.2626%0.262SS..EExtended strand (participates in β ladder)trans-62.1141.8171.925.3-34.6000112.1Y162 E163Y162-P186 WeakPolarHBondContact O-CD 3.1Å; E163-P186 HydrophobicContact CG-CG 4.27Å
187G87.3Confident89.3Confident21 Ų2146.9 Ų46.922%0.21626%0.255CS..  trans-85172.7174.700000112.8Q189 S192G187-Q189 VanDerWaalsContact C-N 3.29Å; G187-Q189 PolarHBondContact O-N 2.93Å; G187-S192 WeakPolarHBondContact CA-O 3.42Å; G187-S192 WeakPolarHBondContact CA-OG 3.22Å; G187-S192 PolarHBondContact N-O 2.92Å
188K82.5Confident89.6Confident208 Ų20846.2 Ų46.290%0.90424%0.243SC*.SBendtrans-69.4-25.5179.7-67.6-175.3179.3-179.30113.3
189Q82.2Confident89.8Confident114 Ų11443.2 Ų43.253%0.53322%0.217SC..SBendtrans-99.1148.2179.4-67.7-176.8-9.300110.6G187 G191 S192 R210G187-Q189 VanDerWaalsContact C-N 3.29Å; G187-Q189 PolarHBondContact O-N 2.93Å; Q189-G191 PolarHBondContact O-N 3.25Å; Q189-S192 WeakPolarHBondContact CA-OG 3.41Å; Q189-S192 WeakPolarHBondContact CB-OG 3.12Å; Q189-S192 PolarHBondContact N-OG 2.82Å; Q189-S192 VanDerWaalsContact N-OG 3.12Å; Q189-S192 WeakPolarHBondContact O-CB 3.21Å; Q189-S192 PolarHBondContact O-N 2.87Å; Q189-S192 PolarHBondContact O-OG 2.86Å; Q189-R210 VanDerWaalsContact NE2-NH2 3.11Å
190K78Confident89.8Confident217 Ų21743.5 Ų43.594%0.94322%0.223SC*.THydrogen-bonded Turntrans-58.9120.4-179.6-171.4179.3-179.5-1760110.7S192K190-S192 VanDerWaalsContact C-N 3.29Å; K190-S192 PolarHBondContact O-N 2.95Å
191G79.6Confident89.4Confident46 Ų4648.9 Ų48.947%0.47426%0.255SS..THydrogen-bonded Turntrans79.43.5-178.800000115.2Q189 P213Q189-G191 PolarHBondContact O-N 3.25Å; G191-P213 WeakPolarHBondContact O-CD 3.49Å; G191-P213 WeakPolarHBondContact O-CG 3.4Å
192S88.7Confident88.9Confident6 Ų656.6 Ų56.64%0.04229%0.29CS..  trans-88.4151.6169.768.60000111.1G187 Q189 K190G187-S192 WeakPolarHBondContact CA-O 3.42Å; G187-S192 WeakPolarHBondContact CA-OG 3.22Å; G187-S192 PolarHBondContact N-O 2.92Å; Q189-S192 WeakPolarHBondContact CA-OG 3.41Å; Q189-S192 WeakPolarHBondContact CB-OG 3.12Å; Q189-S192 PolarHBondContact N-OG 2.82Å; Q189-S192 VanDerWaalsContact N-OG 3.12Å; Q189-S192 WeakPolarHBondContact O-CB 3.21Å; Q189-S192 PolarHBondContact O-N 2.87Å; Q189-S192 PolarHBondContact O-OG 2.86Å; K190-S192 VanDerWaalsContact C-N 3.29Å; K190-S192 PolarHBondContact O-N 2.95Å
193F92.6Very high88.4Confident32 Ų3266 Ų6614%0.1433%0.326CS..EExtended strand (participates in β ladder)trans-121.5164.9176.3-64.5-85.1000110.1M157 Y161 L184 I211 F219 L232M157-F193 HydrophobicContact CE-CE1 4.29Å; Y161-F193 HydrophobicContact CE2-CD1 4.18Å; Y161-F193 HydrophobicContact CE2-CE1 4Å; L184-F193 HydrophobicContact CD1-CB 4.18Å; F193-I211 HydrophobicContact CB-CB 4Å; F193-I211 HydrophobicContact CB-CD1 4.37Å; F193-I211 HydrophobicContact CB-CG2 4.35Å; F193-I211 PolarHBondContact N-O 3.33Å; F193-I211 WeakPolarHBondContact O-CA 3.06Å; F193-I211 PolarHBondContact O-N 3.02Å; F193-F219 HydrophobicContact CD2-CD1 4.29Å; F193-F219 AromaticContact CD2-CE1 3.79Å; F193-F219 HydrophobicContact CD2-CE1 3.79Å; F193-F219 AromaticContact CE2-CE1 3.71Å; F193-F219 HydrophobicContact CE2-CE1 3.71Å; F193-F219 HydrophobicContact CE2-CZ 4.15Å; F193-L232 HydrophobicContact CB-CD2 4.36Å; F193-L232 HydrophobicContact CD1-CD1 4.27Å; F193-L232 HydrophobicContact CD2-CD1 4.1Å; F193-L232 HydrophobicContact CD2-CD2 3.96Å; F193-L232 HydrophobicContact CE1-CD1 4.06Å; F193-L232 HydrophobicContact CE2-CD1 3.89Å; F193-L232 HydrophobicContact CE2-CD2 4.49Å; F193-L232 HydrophobicContact CG-CD1 4.29Å; F193-L232 HydrophobicContact CG-CD2 4.13Å; F193-L232 HydrophobicContact CZ-CD1 3.86Å
194A93.6Very high88Confident7 Ų769 Ų696%0.05834%0.344CS..EExtended strand (participates in β ladder)trans-141.4141.6171.300000110.2R185 Y209R185-A194 HydrophobicContact CG-CB 4.24Å; R185-A194 WeakPolarHBondContact CG-O 3.46Å; R185-A194 PolarHBondContact N-O 3.17Å; R185-A194 PolarHBondContact O-N 2.81Å; A194-Y209 CarbonylContact C-O 3.51Å; A194-Y209 WeakPolarHBondContact CA-O 3.46Å
195I94.1Very high87.9Confident0 Ų072.6 Ų72.60%036%0.363CS..EExtended strand (participates in β ladder)trans-97.3127.7167.7-74.2170.9000107.8L182 L183 L184 T197 H208 Y209 I211 V235 M239L182-I195 HydrophobicContact CD1-CG2 3.83Å; L182-I195 HydrophobicContact CG-CG2 3.95Å; L183-I195 WeakPolarHBondContact O-CA 3.26Å; L184-I195 HydrophobicContact CD1-CD1 4.36Å; L184-I195 HydrophobicContact CD1-CG1 3.57Å; I195-T197 HydrophobicContact CG2-CG2 3.66Å; I195-H208 CarbonylContact O-C 3.58Å; I195-H208 VanDerWaalsContact O-CA 3.29Å; I195-H208 WeakPolarHBondContact O-CA 3.46Å; I195-Y209 HydrophobicContact CB-CD2 4.5Å; I195-Y209 HydrophobicContact CG2-CD2 4.22Å; I195-Y209 PolarHBondContact N-O 3.03Å; I195-Y209 PolarHBondContact O-N 2.97Å; I195-I211 HydrophobicContact CB-CD1 4.47Å; I195-I211 HydrophobicContact CD1-CD1 3.67Å; I195-I211 HydrophobicContact CG1-CD1 3.6Å; I195-V235 HydrophobicContact CD1-CG1 3.72Å; I195-M239 HydrophobicContact CB-CE 4.46Å; I195-M239 HydrophobicContact CD1-CE 3.99Å; I195-M239 HydrophobicContact CD1-CG 3.92Å; I195-M239 HydrophobicContact CG2-CE 4.38Å
196T94.2Very high87.8Confident0 Ų074.1 Ų74.10%037%0.37CS..EExtended strand (participates in β ladder)trans-103132.7167.3-59.80000108.3A169 E170 L173 L183 R185 R207 H208A169-T196 HydrophobicContact CB-CG2 4.39Å; E170-T196 HydrophobicContact CG-CG2 4.47Å; L173-T196 HydrophobicContact CD1-CG2 3.6Å; L183-T196 PolarHBondContact N-O 3.37Å; L183-T196 PolarHBondContact O-N 3.04Å; R185-T196 PolarHBondContact NE-OG1 3.38Å; T196-R207 WeakPolarHBondContact CA-O 3.46Å; T196-H208 WeakPolarHBondContact CG2-CE1 3.35Å; T196-H208 WeakPolarHBondContact CG2-ND1 3.22Å; T196-H208 PolarHBondContact OG1-CE1 2.99Å; T196-H208 PolarHBondContact OG1-ND1 3.05Å
197T94.1Very high87.7Confident0 Ų078.4 Ų78.40%038%0.381CS..EExtended strand (participates in β ladder)trans-126.2147.8176.164.90000111.1N181 L182 I195 F206 R207 Y209 F247N181-T197 CarbonylContact O-C 3.53Å; N181-T197 VanDerWaalsContact O-CA 3.3Å; N181-T197 WeakPolarHBondContact O-CA 3.29Å; L182-T197 HydrophobicContact CB-CG2 4.33Å; L182-T197 HydrophobicContact CD1-CG2 3.71Å; L182-T197 HydrophobicContact CG-CG2 4.12Å; I195-T197 HydrophobicContact CG2-CG2 3.66Å; T197-F206 CarbonylContact O-C 3.51Å; T197-F206 VanDerWaalsContact O-CA 3.29Å; T197-F206 WeakPolarHBondContact O-CA 3.27Å; T197-R207 PolarHBondContact N-O 3.33Å; T197-R207 PolarHBondContact O-N 2.87Å; T197-R207 PolarHBondContact OG1-O 2.98Å; T197-Y209 HydrophobicContact CG2-CD2 4.16Å; T197-Y209 HydrophobicContact CG2-CE2 3.82Å; T197-F247 VanDerWaalsContact CB-CE1 3.45Å; T197-F247 HydrophobicContact CG2-CD1 4.15Å; T197-F247 HydrophobicContact CG2-CD2 4.48Å; T197-F247 HydrophobicContact CG2-CE1 3.83Å; T197-F247 HydrophobicContact CG2-CE2 4.15Å; T197-F247 HydrophobicContact CG2-CG 4.48Å; T197-F247 HydrophobicContact CG2-CZ 3.82Å
198R92.8Very high88Confident29 Ų2980 Ų8011%0.10938%0.383CS..EExtended strand (participates in β ladder)trans-117.2131.6173-179177.4172.4-81.7-9109.4L173 A177 N181 D200 P204 I205 F206L173-R198 HydrophobicContact CB-CB 4.12Å; L173-R198 HydrophobicContact CD1-CB 4.24Å; L173-R198 VanDerWaalsContact O-CD 3.31Å; L173-R198 WeakPolarHBondContact O-CD 3.36Å; A177-R198 VanDerWaalsContact CB-NH1 3.31Å; N181-R198 HydrophobicContact CB-CB 4.38Å; N181-R198 WeakPolarHBondContact CB-O 3.42Å; N181-R198 PolarHBondContact ND2-O 2.58Å; N181-R198 VanDerWaalsContact ND2-O 3.14Å; N181-R198 PolarHBondContact O-N 2.91Å; R198-D200 VanDerWaalsContact CZ-CG 3.5Å; R198-D200 IonicContact CZ-OD1 3.11Å; R198-D200 IonicContact CZ-OD2 2.72Å; R198-D200 IonicContact NE-OD1 2.67Å; R198-D200 IonicContact NH1-OD1 3.69Å; R198-D200 PolarHBondContact NH1-OD1 3.41Å; R198-D200 IonicContact NH1-OD2 2.69Å; R198-D200 PolarHBondContact NH1-OD2 2.82Å; R198-D200 IonicContact NH2-OD1 3.08Å; R198-D200 PolarHBondContact NH2-OD1 3.23Å; R198-D200 IonicContact NH2-OD2 2.85Å; R198-D200 PolarHBondContact NH2-OD2 2.86Å; R198-P204 HydrophobicContact CG-CB 4.49Å; R198-I205 WeakPolarHBondContact CA-O 3.33Å; R198-F206 HydrophobicContact CB-CD1 3.99Å; R198-F206 HydrophobicContact CB-CE1 3.82Å; R198-F206 HydrophobicContact CG-CD1 4.21Å; R198-F206 HydrophobicContact CG-CE1 3.71Å; R198-F206 HydrophobicContact CG-CZ 4.04Å
199Q90.7Very high88.4Confident45 Ų4572.4 Ų72.421%0.2135%0.349CS..EExtended strand (participates in β ladder)trans-127.5129.7175-69.1-174.4-27.100110.4P204 I205 F247Q199-P204 WeakPolarHBondContact O-CA 3.37Å; Q199-I205 PolarHBondContact N-O 2.88Å; Q199-I205 PolarHBondContact O-N 3.23Å; Q199-F247 HydrophobicContact CG-CE1 3.55Å; Q199-F247 HydrophobicContact CG-CZ 4.02Å; Q199-F247 VanDerWaalsContact NE2-CE1 3.34Å
200D86.3Confident88.8Confident98 Ų9872.3 Ų72.352%0.52434%0.344SS..EExtended strand (participates in β ladder)trans-104.879.4-179.9-66.9-20.3000109.3R198 P204R198-D200 VanDerWaalsContact CZ-CG 3.5Å; R198-D200 IonicContact CZ-OD1 3.11Å; R198-D200 IonicContact CZ-OD2 2.72Å; R198-D200 IonicContact NE-OD1 2.67Å; R198-D200 IonicContact NH1-OD1 3.69Å; R198-D200 PolarHBondContact NH1-OD1 3.41Å; R198-D200 IonicContact NH1-OD2 2.69Å; R198-D200 PolarHBondContact NH1-OD2 2.82Å; R198-D200 IonicContact NH2-OD1 3.08Å; R198-D200 PolarHBondContact NH2-OD1 3.23Å; R198-D200 IonicContact NH2-OD2 2.85Å; R198-D200 PolarHBondContact NH2-OD2 2.86Å; D200-P204 WeakPolarHBondContact OD1-CA 3.43Å; D200-P204 WeakPolarHBondContact OD1-CB 3.39Å
201V81.4Confident89.5Confident120 Ų12062 Ų6273%0.72730%0.299SS*.SBendtrans-89.5-55.5176.2-175.50000110.4
202E81.1Confident90Very high188 Ų18861 Ų6188%0.87928%0.283SS*.SBendtrans-135.6-37.5175.8-174176.9-163.400110.7
203R83.4Confident89.9Confident199 Ų19963.5 Ų63.575%0.75130%0.299SS*.SBendtrans-131.1157.2166-69.7-179.9-179.1-108.3-1.8108.6I205R203-I205 PolarHBondContact O-N 2.9Å; R203-I205 VanDerWaalsContact O-N 3.1Å
204P86.1Confident89.6Confident61 Ų6164.8 Ų64.840%0.39630%0.304SS..EExtended strand (participates in β ladder)trans-62.8114.3173.524.7-32.6000109.6R198 Q199 D200 F206R198-P204 HydrophobicContact CG-CB 4.49Å; Q199-P204 WeakPolarHBondContact O-CA 3.37Å; D200-P204 WeakPolarHBondContact OD1-CA 3.43Å; D200-P204 WeakPolarHBondContact OD1-CB 3.39Å; P204-F206 HydrophobicContact CB-CE2 4.19Å
205I90.6Very high88.8Confident77 Ų7770.1 Ų70.140%0.39534%0.338SS..EExtended strand (participates in β ladder)trans-105.4122.8175.9-62.8167.9000108.2R198 Q199 R203 R207R198-I205 WeakPolarHBondContact CA-O 3.33Å; Q199-I205 PolarHBondContact N-O 2.88Å; Q199-I205 PolarHBondContact O-N 3.23Å; R203-I205 PolarHBondContact O-N 2.9Å; R203-I205 VanDerWaalsContact O-N 3.1Å; I205-R207 HydrophobicContact CG2-CG 4.34Å
206F91.9Very high87.9Confident49 Ų4977.8 Ų77.822%0.21537%0.374CS..EExtended strand (participates in β ladder)trans-95.5133.9174-60.9-88.4000110.3E170 L173 E174 T197 R198 P204E170-F206 HydrophobicContact CB-CD1 4.04Å; E170-F206 HydrophobicContact CB-CE1 4.11Å; E170-F206 HydrophobicContact CB-CG 4.37Å; E170-F206 HydrophobicContact CG-CB 4.17Å; E170-F206 HydrophobicContact CG-CD1 3.95Å; E170-F206 HydrophobicContact CG-CG 4.01Å; E170-F206 WeakPolarHBondContact O-CE1 3.49Å; L173-F206 HydrophobicContact CB-CE1 4.16Å; E174-F206 HydrophobicContact CB-CZ 4.2Å; T197-F206 CarbonylContact O-C 3.51Å; T197-F206 VanDerWaalsContact O-CA 3.29Å; T197-F206 WeakPolarHBondContact O-CA 3.27Å; R198-F206 HydrophobicContact CB-CD1 3.99Å; R198-F206 HydrophobicContact CB-CE1 3.82Å; R198-F206 HydrophobicContact CG-CD1 4.21Å; R198-F206 HydrophobicContact CG-CE1 3.71Å; R198-F206 HydrophobicContact CG-CZ 4.04Å; P204-F206 HydrophobicContact CB-CE2 4.19Å
207R91.5Very high87.1Confident129 Ų12980 Ų8049%0.48740%0.397SS..EExtended strand (participates in β ladder)trans-127.1145.7173.5-64.4-179.1178.6-112.40.1109.8T196 T197 I205 Y209T196-R207 WeakPolarHBondContact CA-O 3.46Å; T197-R207 PolarHBondContact N-O 3.33Å; T197-R207 PolarHBondContact O-N 2.87Å; T197-R207 PolarHBondContact OG1-O 2.98Å; I205-R207 HydrophobicContact CG2-CG 4.34Å; R207-Y209 HydrophobicContact CB-CE2 3.93Å; R207-Y209 WeakPolarHBondContact CD-OH 3.42Å
208H92.4Very high86.6Confident54 Ų5480.8 Ų80.825%0.2541%0.405CS..EExtended strand (participates in β ladder)trans-126.9115.4-178.1-54.7-90.9000110.1Y166 E170 I195 T196Y166-H208 AromaticContact CD2-CE1 3.56Å; Y166-H208 AromaticContact CD2-CG 3.8Å; Y166-H208 AromaticContact CD2-ND1 3.54Å; Y166-H208 AromaticContact CD2-NE2 3.93Å; Y166-H208 HydrophobicContact CE2-CB 4.23Å; Y166-H208 AromaticContact CE2-CD2 3.12Å; Y166-H208 WeakPolarHBondContact CE2-CD2 3.46Å; Y166-H208 AromaticContact CE2-CE1 3.21Å; Y166-H208 WeakPolarHBondContact CE2-CE1 3.3Å; Y166-H208 AromaticContact CE2-CG 3.32Å; Y166-H208 AromaticContact CE2-ND1 3.42Å; Y166-H208 WeakPolarHBondContact CE2-ND1 3.36Å; Y166-H208 AromaticContact CE2-NE2 3.1Å; Y166-H208 WeakPolarHBondContact CE2-NE2 3.42Å; Y166-H208 AromaticContact CZ-CD2 3.56Å; Y166-H208 AromaticContact CZ-CE1 3.5Å; Y166-H208 AromaticContact CZ-NE2 3.13Å; Y166-H208 PolarHBondContact OH-CD2 2.9Å; Y166-H208 PolarHBondContact OH-NE2 3.35Å; E170-H208 IonicContact OE1-CE1 2.72Å; E170-H208 IonicContact OE1-NE2 2.85Å; E170-H208 PolarHBondContact OE1-NE2 3.44Å; I195-H208 CarbonylContact O-C 3.58Å; I195-H208 VanDerWaalsContact O-CA 3.29Å; I195-H208 WeakPolarHBondContact O-CA 3.46Å; T196-H208 WeakPolarHBondContact CG2-CE1 3.35Å; T196-H208 WeakPolarHBondContact CG2-ND1 3.22Å; T196-H208 PolarHBondContact OG1-CE1 2.99Å; T196-H208 PolarHBondContact OG1-ND1 3.05Å
209Y91.4Very high86.4Confident49 Ų4981.3 Ų81.319%0.19241%0.408CS..EExtended strand (participates in β ladder)trans-100.4124.6179.1-56.6-84.3000108.9A194 I195 T197 R207 V223 M239A194-Y209 CarbonylContact C-O 3.51Å; A194-Y209 WeakPolarHBondContact CA-O 3.46Å; I195-Y209 HydrophobicContact CB-CD2 4.5Å; I195-Y209 HydrophobicContact CG2-CD2 4.22Å; I195-Y209 PolarHBondContact N-O 3.03Å; I195-Y209 PolarHBondContact O-N 2.97Å; T197-Y209 HydrophobicContact CG2-CD2 4.16Å; T197-Y209 HydrophobicContact CG2-CE2 3.82Å; R207-Y209 HydrophobicContact CB-CE2 3.93Å; R207-Y209 WeakPolarHBondContact CD-OH 3.42Å; Y209-V223 HydrophobicContact CD1-CG1 4.01Å; Y209-V223 HydrophobicContact CE1-CG1 4.48Å; Y209-M239 HydrophobicContact CD1-CE 4.04Å; Y209-M239 HydrophobicContact CD2-CE 3.6Å; Y209-M239 HydrophobicContact CE2-CE 4.22Å; Y209-M239 HydrophobicContact CG-CE 3.49Å; Y209-M239 VanDerWaalsContact CG-CE 3.49Å
210R91.4Very high86.3Confident112 Ų11282.4 Ų82.442%0.42341%0.411SS..EExtended strand (participates in β ladder)trans-85.7129.4-179.9-172.1175.9180-172.2-3.5109.7Q189 L212 A222Q189-R210 VanDerWaalsContact NE2-NH2 3.11Å; R210-L212 HydrophobicContact CG-CD2 4.29Å; R210-L212 HydrophobicContact CG-CG 4.26Å; R210-A222 HydrophobicContact CB-CB 4.34Å; R210-A222 PolarHBondContact O-N 3.23Å
211I91.8Very high86.5Confident0 Ų078 Ų780%039%0.387CS..EExtended strand (participates in β ladder)trans-113123.9177.1-60.1161.5000108.2L184 F193 I195 F219 Y220 I221 L232 V235L184-I211 HydrophobicContact CD1-CD1 3.66Å; F193-I211 HydrophobicContact CB-CB 4Å; F193-I211 HydrophobicContact CB-CD1 4.37Å; F193-I211 HydrophobicContact CB-CG2 4.35Å; F193-I211 PolarHBondContact N-O 3.33Å; F193-I211 WeakPolarHBondContact O-CA 3.06Å; F193-I211 PolarHBondContact O-N 3.02Å; I195-I211 HydrophobicContact CB-CD1 4.47Å; I195-I211 HydrophobicContact CD1-CD1 3.67Å; I195-I211 HydrophobicContact CG1-CD1 3.6Å; I211-F219 HydrophobicContact CG2-CB 3.77Å; I211-F219 HydrophobicContact CG2-CD1 4.04Å; I211-F219 HydrophobicContact CG2-CG 4.22Å; I211-Y220 WeakPolarHBondContact CA-O 3.46Å; I211-I221 HydrophobicContact CG1-CG1 4.31Å; I211-L232 HydrophobicContact CG2-CD2 4.28Å; I211-V235 HydrophobicContact CD1-CG1 3.74Å; I211-V235 HydrophobicContact CG1-CG1 4.23Å
212L89.8Confident86.7Confident26 Ų2674.5 Ų74.514%0.13637%0.371CS..EExtended strand (participates in β ladder)trans-114.7139.7-178-68.5175.4000110.2R210 F219 Y220 A222R210-L212 HydrophobicContact CG-CD2 4.29Å; R210-L212 HydrophobicContact CG-CG 4.26Å; L212-F219 WeakPolarHBondContact O-CA 3.22Å; L212-Y220 HydrophobicContact CB-CD1 4.18Å; L212-Y220 HydrophobicContact CB-CE1 3.58Å; L212-Y220 HydrophobicContact CB-CE2 4.08Å; L212-Y220 HydrophobicContact CD1-CE2 4.13Å; L212-Y220 VanDerWaalsContact CD1-OH 3.3Å; L212-Y220 WeakPolarHBondContact CD1-OH 3.4Å; L212-Y220 PolarHBondContact N-O 3.18Å; L212-Y220 VanDerWaalsContact O-CD1 3.31Å; L212-Y220 WeakPolarHBondContact O-CD1 3.47Å; L212-Y220 PolarHBondContact O-N 3.27Å; L212-A222 HydrophobicContact CD1-CB 4.39Å
213P87.9Confident86.9Confident59 Ų5968.4 Ų68.438%0.38335%0.347SS..EExtended strand (participates in β ladder)trans-7214617331.6-34.7000109.9G191 F219G191-P213 WeakPolarHBondContact O-CD 3.49Å; G191-P213 WeakPolarHBondContact O-CG 3.4Å; P213-F219 HydrophobicContact CB-CD1 4.4Å; P213-F219 HydrophobicContact CB-CE1 4.3Å
214K85.3Confident86.5Confident59 Ų5967.2 Ų67.226%0.25736%0.355SS..  trans-89.1150.5170.9-67.2-176.8176.6-174.90111.6E216 G217 G218 Y220 H228K214-E216 VanDerWaalsContact C-N 3.29Å; K214-E216 PolarHBondContact O-N 2.65Å; K214-G217 WeakPolarHBondContact CB-O 3.37Å; K214-G217 PolarHBondContact O-N 3.31Å; K214-G218 PolarHBondContact N-O 3.37Å; K214-Y220 HydrophobicContact CG-CD1 3.75Å; K214-Y220 HydrophobicContact CG-CE1 4.33Å; K214-H228 WeakPolarHBondContact CE-CD2 3.29Å; K214-H228 VanDerWaalsContact NZ-CB 3.28Å; K214-H228 PolarHBondContact NZ-CD2 2.83Å
215P76.1Confident86.2Confident119 Ų11972.8 Ų72.877%0.77337%0.373SS*.THydrogen-bonded Turntrans-66.4-29.3172.118.2-19.7000113.2G217P215-G217 VanDerWaalsContact C-N 3.31Å
216E76.9Confident85.9Confident161 Ų16172.5 Ų72.575%0.75238%0.376SS*.THydrogen-bonded Turntrans-84.6-0.8179.4-57.875-160.500114K214K214-E216 VanDerWaalsContact C-N 3.29Å; K214-E216 PolarHBondContact O-N 2.65Å
217G76.1Confident85.6Confident46 Ų4671.9 Ų71.947%0.47438%0.377SS..SBendtrans99.4148.9-171.200000112.8K214 P215K214-G217 WeakPolarHBondContact CB-O 3.37Å; K214-G217 PolarHBondContact O-N 3.31Å; P215-G217 VanDerWaalsContact C-N 3.31Å
218G84.2Confident85.4Confident17 Ų1771.1 Ų71.118%0.17538%0.378CS..SBendtrans88.5-172.2-176.200000114.6K214 F229K214-G218 PolarHBondContact N-O 3.37Å; G218-F229 CarbonylContact C-O 3.6Å; G218-F229 VanDerWaalsContact CA-O 3.29Å; G218-F229 WeakPolarHBondContact CA-O 3.46Å
219F88.3Confident85.2Confident40 Ų4069.5 Ų69.518%0.17537%0.37CS..EExtended strand (participates in β ladder)trans-131.9157.7-170.8-60-79.3000111.6F193 I211 L212 P213 F229 L232 V235F193-F219 HydrophobicContact CD2-CD1 4.29Å; F193-F219 AromaticContact CD2-CE1 3.79Å; F193-F219 HydrophobicContact CD2-CE1 3.79Å; F193-F219 AromaticContact CE2-CE1 3.71Å; F193-F219 HydrophobicContact CE2-CE1 3.71Å; F193-F219 HydrophobicContact CE2-CZ 4.15Å; I211-F219 HydrophobicContact CG2-CB 3.77Å; I211-F219 HydrophobicContact CG2-CD1 4.04Å; I211-F219 HydrophobicContact CG2-CG 4.22Å; L212-F219 WeakPolarHBondContact O-CA 3.22Å; P213-F219 HydrophobicContact CB-CD1 4.4Å; P213-F219 HydrophobicContact CB-CE1 4.3Å; F219-F229 PolarHBondContact N-O 3.47Å; F219-F229 PolarHBondContact O-N 3.44Å; F219-L232 HydrophobicContact CD1-CD2 4.06Å; F219-L232 HydrophobicContact CD2-CD2 4.03Å; F219-L232 HydrophobicContact CD2-CG 4.04Å; F219-L232 HydrophobicContact CE1-CD2 4.18Å; F219-L232 HydrophobicContact CE1-CG 4.44Å; F219-L232 HydrophobicContact CE2-CD1 4.48Å; F219-L232 HydrophobicContact CE2-CD2 4.15Å; F219-L232 HydrophobicContact CE2-CG 3.78Å; F219-L232 HydrophobicContact CG-CD2 3.98Å; F219-L232 HydrophobicContact CG-CG 4.48Å; F219-L232 HydrophobicContact CZ-CD1 4.28Å; F219-L232 HydrophobicContact CZ-CD2 4.22Å; F219-L232 HydrophobicContact CZ-CG 3.99Å; F219-V235 HydrophobicContact CB-CG2 4.33Å
220Y89.3Confident84.9Confident68 Ų6874 Ų7427%0.26740%0.398SS..EExtended strand (participates in β ladder)trans-142.6146.7169.170.8-86.8000112.3I211 L212 K214 A222 P226 V227I211-Y220 WeakPolarHBondContact CA-O 3.46Å; L212-Y220 HydrophobicContact CB-CD1 4.18Å; L212-Y220 HydrophobicContact CB-CE1 3.58Å; L212-Y220 HydrophobicContact CB-CE2 4.08Å; L212-Y220 HydrophobicContact CD1-CE2 4.13Å; L212-Y220 VanDerWaalsContact CD1-OH 3.3Å; L212-Y220 WeakPolarHBondContact CD1-OH 3.4Å; L212-Y220 PolarHBondContact N-O 3.18Å; L212-Y220 VanDerWaalsContact O-CD1 3.31Å; L212-Y220 WeakPolarHBondContact O-CD1 3.47Å; L212-Y220 PolarHBondContact O-N 3.27Å; K214-Y220 HydrophobicContact CG-CD1 3.75Å; K214-Y220 HydrophobicContact CG-CE1 4.33Å; Y220-A222 HydrophobicContact CE2-CB 4.39Å; Y220-P226 HydrophobicContact CD2-CB 4.42Å; Y220-V227 WeakPolarHBondContact CA-O 3.39Å; Y220-V227 VanDerWaalsContact CB-O 3.27Å; Y220-V227 WeakPolarHBondContact CB-O 3.35Å
221I90.8Very high84.8Confident4 Ų470 Ų702%0.02139%0.387CS..EExtended strand (participates in β ladder)trans-85.4122174.3-55.9165.3000107.9I211 V223 V227 F229 V235 Y238 M239I211-I221 HydrophobicContact CG1-CG1 4.31Å; I221-V223 HydrophobicContact CB-CG2 4.31Å; I221-V223 HydrophobicContact CG2-CB 4.42Å; I221-V223 HydrophobicContact CG2-CG1 3.79Å; I221-V223 HydrophobicContact CG2-CG2 3.96Å; I221-V223 PolarHBondContact O-N 3.32Å; I221-V227 PolarHBondContact N-O 3.11Å; I221-V227 VanDerWaalsContact N-O 3.08Å; I221-F229 HydrophobicContact CD1-CE2 3.57Å; I221-F229 HydrophobicContact CD1-CZ 3.94Å; I221-F229 HydrophobicContact CG1-CD2 4.44Å; I221-F229 HydrophobicContact CG1-CE2 3.74Å; I221-V235 HydrophobicContact CD1-CG1 3.89Å; I221-V235 HydrophobicContact CG1-CG1 3.88Å; I221-Y238 HydrophobicContact CD1-CD1 4.02Å; I221-Y238 HydrophobicContact CD1-CE1 4.21Å; I221-M239 HydrophobicContact CD1-CE 3.84Å; I221-M239 HydrophobicContact CD1-SD 4.27Å
222A85.3Confident84.7Confident48 Ų4870.5 Ų70.540%0.39739%0.39SS..  trans-78.871.6177.500000111R210 L212 Y220R210-A222 HydrophobicContact CB-CB 4.34Å; R210-A222 PolarHBondContact O-N 3.23Å; L212-A222 HydrophobicContact CD1-CB 4.39Å; Y220-A222 HydrophobicContact CE2-CB 4.39Å
223V83.9Confident84.7Confident60 Ų6073 Ų7336%0.36440%0.4SS..SBendtrans-114.8170170.5-75.20000109.7Y209 I221 K225Y209-V223 HydrophobicContact CD1-CG1 4.01Å; Y209-V223 HydrophobicContact CE1-CG1 4.48Å; I221-V223 HydrophobicContact CB-CG2 4.31Å; I221-V223 HydrophobicContact CG2-CB 4.42Å; I221-V223 HydrophobicContact CG2-CG1 3.79Å; I221-V223 HydrophobicContact CG2-CG2 3.96Å; I221-V223 PolarHBondContact O-N 3.32Å; V223-K225 WeakPolarHBondContact CG2-O 3.32Å; V223-K225 CarbonylContact O-C 3.59Å; V223-K225 PolarHBondContact O-N 3.39Å
224D74.8Confident84.8Confident173 Ų17373.6 Ų73.693%0.92540%0.401SS*.SBendtrans-50.4-30.2-174.7-63-31.6000114.3
225K80.8Confident85Confident178 Ų17870.8 Ų70.877%0.77439%0.389SS*.SBendtrans-117.5100.8167.7-68.3-178.1-178.3178.30109.1V223 V227V223-K225 WeakPolarHBondContact CG2-O 3.32Å; V223-K225 CarbonylContact O-C 3.59Å; V223-K225 PolarHBondContact O-N 3.39Å; K225-V227 WeakPolarHBondContact O-CG2 3.3Å; K225-V227 PolarHBondContact O-N 3.11Å
226P84.4Confident85.7Confident72 Ų7265.6 Ų65.647%0.46836%0.355SS..  trans-58.5124.5-178.5-24.933.9000111.5Y220Y220-P226 HydrophobicContact CD2-CB 4.42Å
227V85.3Confident86.3Confident36 Ų3660.5 Ų60.522%0.21834%0.34CS..EExtended strand (participates in β ladder)trans-108.4137.2175.7-166.50000108.5Y220 I221 K225 F229 Y238Y220-V227 WeakPolarHBondContact CA-O 3.39Å; Y220-V227 VanDerWaalsContact CB-O 3.27Å; Y220-V227 WeakPolarHBondContact CB-O 3.35Å; I221-V227 PolarHBondContact N-O 3.11Å; I221-V227 VanDerWaalsContact N-O 3.08Å; K225-V227 WeakPolarHBondContact O-CG2 3.3Å; K225-V227 PolarHBondContact O-N 3.11Å; V227-F229 HydrophobicContact CB-CE2 3.75Å; V227-F229 HydrophobicContact CB-CZ 3.73Å; V227-F229 HydrophobicContact CG1-CE1 3.94Å; V227-F229 HydrophobicContact CG1-CE2 3.74Å; V227-F229 HydrophobicContact CG1-CZ 3.28Å; V227-F229 VanDerWaalsContact O-CE2 3.29Å; V227-F229 WeakPolarHBondContact O-CE2 3.26Å; V227-Y238 HydrophobicContact CG1-CE1 4.47Å; V227-Y238 HydrophobicContact CG1-CE2 4.16Å; V227-Y238 HydrophobicContact CG2-CE1 4.41Å
228H88Confident87Confident112 Ų11261.6 Ų61.652%0.51933%0.33SS..EExtended strand (participates in β ladder)trans-112.2142.7-168.2-58.2115.1000111.2K214K214-H228 WeakPolarHBondContact CE-CD2 3.29Å; K214-H228 VanDerWaalsContact NZ-CB 3.28Å; K214-H228 PolarHBondContact NZ-CD2 2.83Å
229F88.1Confident87.3Confident20 Ų2061.4 Ų61.49%0.08833%0.325CS..EExtended strand (participates in β ladder)trans-144.1150.5-173.7-54.4-80.4000110.8G218 F219 I221 V227 D234 V235 Y238G218-F229 CarbonylContact C-O 3.6Å; G218-F229 VanDerWaalsContact CA-O 3.29Å; G218-F229 WeakPolarHBondContact CA-O 3.46Å; F219-F229 PolarHBondContact N-O 3.47Å; F219-F229 PolarHBondContact O-N 3.44Å; I221-F229 HydrophobicContact CD1-CE2 3.57Å; I221-F229 HydrophobicContact CD1-CZ 3.94Å; I221-F229 HydrophobicContact CG1-CD2 4.44Å; I221-F229 HydrophobicContact CG1-CE2 3.74Å; V227-F229 HydrophobicContact CB-CE2 3.75Å; V227-F229 HydrophobicContact CB-CZ 3.73Å; V227-F229 HydrophobicContact CG1-CE1 3.94Å; V227-F229 HydrophobicContact CG1-CE2 3.74Å; V227-F229 HydrophobicContact CG1-CZ 3.28Å; V227-F229 VanDerWaalsContact O-CE2 3.29Å; V227-F229 WeakPolarHBondContact O-CE2 3.26Å; F229-D234 HydrophobicContact CB-CB 4.33Å; F229-D234 HydrophobicContact CD1-CB 4.07Å; F229-V235 HydrophobicContact CB-CG2 3.62Å; F229-V235 HydrophobicContact CD1-CG2 4.36Å; F229-V235 HydrophobicContact CD2-CB 4.35Å; F229-V235 HydrophobicContact CD2-CG1 4.47Å; F229-V235 HydrophobicContact CD2-CG2 3.57Å; F229-V235 HydrophobicContact CE2-CG1 4.49Å; F229-V235 HydrophobicContact CE2-CG2 4.33Å; F229-V235 HydrophobicContact CG-CB 4.36Å; F229-V235 HydrophobicContact CG-CG2 3.57Å; F229-Y238 VanDerWaalsContact CE1-CB 3.44Å; F229-Y238 HydrophobicContact CE1-CD1 4.08Å; F229-Y238 AromaticContact CE1-CD2 3.99Å; F229-Y238 HydrophobicContact CE1-CD2 3.99Å; F229-Y238 AromaticContact CE1-CG 3.55Å; F229-Y238 HydrophobicContact CE1-CG 3.55Å; F229-Y238 AromaticContact CZ-CD1 3.51Å; F229-Y238 HydrophobicContact CZ-CD1 3.51Å; F229-Y238 HydrophobicContact CZ-CD2 4.07Å; F229-Y238 HydrophobicContact CZ-CE1 4.1Å; F229-Y238 AromaticContact CZ-CG 3.49Å; F229-Y238 HydrophobicContact CZ-CG 3.49Å; F229-Y238 VanDerWaalsContact CZ-CG 3.49Å
230D85.1Confident87.4Confident145 Ų14561.4 Ų61.478%0.77533%0.328SS*.SBendtrans-89.4-37.3177.9-62.8-38.3000111.1
231S89.1Confident87.4Confident28 Ų2865.3 Ų65.320%0.19635%0.349CS..SBendtrans-122.3157176.6-171.90000113.3H233 D234 V235S231-H233 PolarHBondContact O-N 3.38Å; S231-H233 PolarHBondContact OG-N 3.45Å; S231-D234 WeakPolarHBondContact CB-OD2 3.27Å; S231-D234 PolarHBondContact N-OD2 3.12Å; S231-D234 PolarHBondContact O-N 2.86Å; S231-V235 WeakPolarHBondContact O-CG2 3.49Å; S231-V235 PolarHBondContact O-N 2.83Å
232L89.2Confident87.2Confident10 Ų1072 Ų725%0.05238%0.378CS..Hα-helixtrans-64.5-26.7170.2-69.9169.6000112.2M157 P158 L184 F193 I211 F219 D234 V235 V236M157-L232 HydrophobicContact SD-CD1 3.93Å; P158-L232 HydrophobicContact CG-CB 4.41Å; L184-L232 HydrophobicContact CD2-CB 4.12Å; L184-L232 HydrophobicContact CD2-CD1 4.11Å; L184-L232 HydrophobicContact CD2-CD2 4.29Å; L184-L232 HydrophobicContact CD2-CG 4.4Å; F193-L232 HydrophobicContact CB-CD2 4.36Å; F193-L232 HydrophobicContact CD1-CD1 4.27Å; F193-L232 HydrophobicContact CD2-CD1 4.1Å; F193-L232 HydrophobicContact CD2-CD2 3.96Å; F193-L232 HydrophobicContact CE1-CD1 4.06Å; F193-L232 HydrophobicContact CE2-CD1 3.89Å; F193-L232 HydrophobicContact CE2-CD2 4.49Å; F193-L232 HydrophobicContact CG-CD1 4.29Å; F193-L232 HydrophobicContact CG-CD2 4.13Å; F193-L232 HydrophobicContact CZ-CD1 3.86Å; I211-L232 HydrophobicContact CG2-CD2 4.28Å; F219-L232 HydrophobicContact CD1-CD2 4.06Å; F219-L232 HydrophobicContact CD2-CD2 4.03Å; F219-L232 HydrophobicContact CD2-CG 4.04Å; F219-L232 HydrophobicContact CE1-CD2 4.18Å; F219-L232 HydrophobicContact CE1-CG 4.44Å; F219-L232 HydrophobicContact CE2-CD1 4.48Å; F219-L232 HydrophobicContact CE2-CD2 4.15Å; F219-L232 HydrophobicContact CE2-CG 3.78Å; F219-L232 HydrophobicContact CG-CD2 3.98Å; F219-L232 HydrophobicContact CG-CG 4.48Å; F219-L232 HydrophobicContact CZ-CD1 4.28Å; F219-L232 HydrophobicContact CZ-CD2 4.22Å; F219-L232 HydrophobicContact CZ-CG 3.99Å; L232-D234 VanDerWaalsContact C-N 3.35Å; L232-V235 WeakPolarHBondContact O-CB 3.28Å; L232-V235 PolarHBondContact O-N 3.18Å; L232-V236 WeakPolarHBondContact O-CG2 3.44Å; L232-V236 PolarHBondContact O-N 3.42Å; L232-V236 VanDerWaalsContact O-N 3.14Å
233H90.1Very high87.1Confident77 Ų7771.6 Ų71.636%0.35637%0.371SS..Hα-helixtrans-62-43.6172.9-72.791.1000111.6E156 P158 S231 V235 V236 A237E156-H233 PolarHBondContact O-CE1 3.3Å; E156-H233 PolarHBondContact O-ND1 3.37Å; P158-H233 WeakPolarHBondContact CA-NE2 3.44Å; S231-H233 PolarHBondContact O-N 3.38Å; S231-H233 PolarHBondContact OG-N 3.45Å; H233-V235 VanDerWaalsContact C-N 3.28Å; H233-V235 PolarHBondContact O-N 3.14Å; H233-V236 PolarHBondContact O-N 3.37Å; H233-A237 WeakPolarHBondContact O-CB 3.41Å; H233-A237 PolarHBondContact O-N 2.92Å
234D89.4Confident87Confident73 Ų7376.4 Ų76.439%0.3939%0.394SS..Hα-helixtrans-66.5-34.6179.4-50.9-34.7000111.2F229 S231 L232 A237 Y238F229-D234 HydrophobicContact CB-CB 4.33Å; F229-D234 HydrophobicContact CD1-CB 4.07Å; S231-D234 WeakPolarHBondContact CB-OD2 3.27Å; S231-D234 PolarHBondContact N-OD2 3.12Å; S231-D234 PolarHBondContact O-N 2.86Å; L232-D234 VanDerWaalsContact C-N 3.35Å; D234-A237 PolarHBondContact O-N 3.47Å; D234-Y238 WeakPolarHBondContact O-CB 3.48Å; D234-Y238 PolarHBondContact O-N 2.87Å
235V90.4Very high87.3Confident0 Ų070.1 Ų70.10%037%0.37CS..Hα-helixtrans-61.6-46.3173.8-174.10000110.5I195 I211 F219 I221 F229 S231 L232 H233 M239I195-V235 HydrophobicContact CD1-CG1 3.72Å; I211-V235 HydrophobicContact CD1-CG1 3.74Å; I211-V235 HydrophobicContact CG1-CG1 4.23Å; F219-V235 HydrophobicContact CB-CG2 4.33Å; I221-V235 HydrophobicContact CD1-CG1 3.89Å; I221-V235 HydrophobicContact CG1-CG1 3.88Å; F229-V235 HydrophobicContact CB-CG2 3.62Å; F229-V235 HydrophobicContact CD1-CG2 4.36Å; F229-V235 HydrophobicContact CD2-CB 4.35Å; F229-V235 HydrophobicContact CD2-CG1 4.47Å; F229-V235 HydrophobicContact CD2-CG2 3.57Å; F229-V235 HydrophobicContact CE2-CG1 4.49Å; F229-V235 HydrophobicContact CE2-CG2 4.33Å; F229-V235 HydrophobicContact CG-CB 4.36Å; F229-V235 HydrophobicContact CG-CG2 3.57Å; S231-V235 WeakPolarHBondContact O-CG2 3.49Å; S231-V235 PolarHBondContact O-N 2.83Å; L232-V235 WeakPolarHBondContact O-CB 3.28Å; L232-V235 PolarHBondContact O-N 3.18Å; H233-V235 VanDerWaalsContact C-N 3.28Å; H233-V235 PolarHBondContact O-N 3.14Å; V235-M239 WeakPolarHBondContact O-CG 3.41Å; V235-M239 PolarHBondContact O-N 2.91Å; V235-M239 VanDerWaalsContact O-N 3.11Å
236V90.8Very high87.5Confident10 Ų1064.9 Ų64.96%0.06136%0.356CS..Hα-helixtrans-65.1-47.7178.2173.60000110.1P158 L182 L232 H233 Y238 M239 V240 P249P158-V236 HydrophobicContact CB-CG2 4.29Å; P158-V236 HydrophobicContact CG-CG2 4.15Å; L182-V236 HydrophobicContact CD2-CG1 3.97Å; L232-V236 WeakPolarHBondContact O-CG2 3.44Å; L232-V236 PolarHBondContact O-N 3.42Å; L232-V236 VanDerWaalsContact O-N 3.14Å; H233-V236 PolarHBondContact O-N 3.37Å; V236-Y238 VanDerWaalsContact C-N 3.31Å; V236-Y238 PolarHBondContact O-N 2.93Å; V236-M239 WeakPolarHBondContact O-CB 3.27Å; V236-M239 PolarHBondContact O-N 2.91Å; V236-M239 VanDerWaalsContact O-N 3.11Å; V236-V240 WeakPolarHBondContact O-CG2 3.41Å; V236-V240 PolarHBondContact O-N 3.03Å; V236-V240 VanDerWaalsContact O-N 3.12Å; V236-P249 HydrophobicContact CG1-CB 4.34Å; V236-P249 HydrophobicContact CG1-CG 3.81Å
237A89.8Confident87.8Confident54 Ų5461.6 Ų61.645%0.44633%0.334SS..Hα-helixtrans-57.3-44.5177.500000111.8H233 D234 M239 V240 E241H233-A237 WeakPolarHBondContact O-CB 3.41Å; H233-A237 PolarHBondContact O-N 2.92Å; D234-A237 PolarHBondContact O-N 3.47Å; A237-M239 VanDerWaalsContact C-N 3.33Å; A237-M239 PolarHBondContact O-N 3.15Å; A237-V240 PolarHBondContact O-N 3.48Å; A237-V240 VanDerWaalsContact O-N 3.16Å; A237-E241 WeakPolarHBondContact O-CB 3.44Å; A237-E241 PolarHBondContact O-N 3.34Å
238Y90.6Very high88Confident68 Ų6863.3 Ų63.327%0.26735%0.345SS..Hα-helixtrans-59.7-40.9175.6173.2-95.9000112.6I221 V227 F229 D234 V236 V240 K242I221-Y238 HydrophobicContact CD1-CD1 4.02Å; I221-Y238 HydrophobicContact CD1-CE1 4.21Å; V227-Y238 HydrophobicContact CG1-CE1 4.47Å; V227-Y238 HydrophobicContact CG1-CE2 4.16Å; V227-Y238 HydrophobicContact CG2-CE1 4.41Å; F229-Y238 VanDerWaalsContact CE1-CB 3.44Å; F229-Y238 HydrophobicContact CE1-CD1 4.08Å; F229-Y238 AromaticContact CE1-CD2 3.99Å; F229-Y238 HydrophobicContact CE1-CD2 3.99Å; F229-Y238 AromaticContact CE1-CG 3.55Å; F229-Y238 HydrophobicContact CE1-CG 3.55Å; F229-Y238 AromaticContact CZ-CD1 3.51Å; F229-Y238 HydrophobicContact CZ-CD1 3.51Å; F229-Y238 HydrophobicContact CZ-CD2 4.07Å; F229-Y238 HydrophobicContact CZ-CE1 4.1Å; F229-Y238 AromaticContact CZ-CG 3.49Å; F229-Y238 HydrophobicContact CZ-CG 3.49Å; F229-Y238 VanDerWaalsContact CZ-CG 3.49Å; D234-Y238 WeakPolarHBondContact O-CB 3.48Å; D234-Y238 PolarHBondContact O-N 2.87Å; V236-Y238 VanDerWaalsContact C-N 3.31Å; V236-Y238 PolarHBondContact O-N 2.93Å; Y238-V240 VanDerWaalsContact C-N 3.32Å; Y238-V240 PolarHBondContact O-N 2.84Å; Y238-K242 HydrophobicContact CE1-CB 4.35Å; Y238-K242 HydrophobicContact CE1-CG 4.43Å; Y238-K242 HydrophobicContact CE2-CB 4.4Å; Y238-K242 HydrophobicContact CE2-CD 4.5Å; Y238-K242 WeakPolarHBondContact O-CB 3.35Å; Y238-K242 PolarHBondContact O-N 3.46Å
239M89.4Confident88.2Confident13 Ų1360.1 Ų60.16%0.06433%0.334CS..Hα-helixtrans-64-38.9176.9-70-66.8-150.200111.9L182 I195 Y209 I221 V235 V236 A237 T243L182-M239 HydrophobicContact CD1-CB 3.76Å; L182-M239 HydrophobicContact CD1-CG 4.3Å; I195-M239 HydrophobicContact CB-CE 4.46Å; I195-M239 HydrophobicContact CD1-CE 3.99Å; I195-M239 HydrophobicContact CD1-CG 3.92Å; I195-M239 HydrophobicContact CG2-CE 4.38Å; Y209-M239 HydrophobicContact CD1-CE 4.04Å; Y209-M239 HydrophobicContact CD2-CE 3.6Å; Y209-M239 HydrophobicContact CE2-CE 4.22Å; Y209-M239 HydrophobicContact CG-CE 3.49Å; Y209-M239 VanDerWaalsContact CG-CE 3.49Å; I221-M239 HydrophobicContact CD1-CE 3.84Å; I221-M239 HydrophobicContact CD1-SD 4.27Å; V235-M239 WeakPolarHBondContact O-CG 3.41Å; V235-M239 PolarHBondContact O-N 2.91Å; V235-M239 VanDerWaalsContact O-N 3.11Å; V236-M239 WeakPolarHBondContact O-CB 3.27Å; V236-M239 PolarHBondContact O-N 2.91Å; V236-M239 VanDerWaalsContact O-N 3.11Å; A237-M239 VanDerWaalsContact C-N 3.33Å; A237-M239 PolarHBondContact O-N 3.15Å; M239-T243 WeakPolarHBondContact O-CG2 3.37Å; M239-T243 PolarHBondContact O-N 2.85Å; M239-T243 PolarHBondContact O-OG1 3.17Å
240V90.3Very high88.2Confident40 Ų4059.2 Ų59.224%0.24233%0.33CS..Hα-helixtrans-68.4-48.7177.1179.90000110.7V236 A237 Y238 T243 D244 G245 F247 P249V236-V240 WeakPolarHBondContact O-CG2 3.41Å; V236-V240 PolarHBondContact O-N 3.03Å; V236-V240 VanDerWaalsContact O-N 3.12Å; A237-V240 PolarHBondContact O-N 3.48Å; A237-V240 VanDerWaalsContact O-N 3.16Å; Y238-V240 VanDerWaalsContact C-N 3.32Å; Y238-V240 PolarHBondContact O-N 2.84Å; V240-T243 PolarHBondContact O-N 3.36Å; V240-T243 PolarHBondContact O-OG1 3.41Å; V240-D244 PolarHBondContact O-N 2.91Å; V240-G245 PolarHBondContact O-N 3.26Å; V240-F247 WeakPolarHBondContact CG2-O 3.5Å; V240-P249 HydrophobicContact CG2-CG 3.96Å
241E90Very high88.3Confident151 Ų15156.6 Ų56.671%0.70632%0.316SS*.Hα-helixtrans-65.1-44.7-179-174.1-177.3178.100111.5A237 T243 D244A237-E241 WeakPolarHBondContact O-CB 3.44Å; A237-E241 PolarHBondContact O-N 3.34Å; E241-T243 PolarHBondContact O-N 3.45Å; E241-T243 VanDerWaalsContact O-N 3.16Å; E241-D244 PolarHBondContact O-N 2.83Å; E241-D244 VanDerWaalsContact O-N 3.17Å
242K86.9Confident87.7Confident143 Ų14357 Ų5762%0.62232%0.316SS*.Hα-helixtrans-66.8-19.8-177.5-169.258.8179.9175.80113.4Y238Y238-K242 HydrophobicContact CE1-CB 4.35Å; Y238-K242 HydrophobicContact CE1-CG 4.43Å; Y238-K242 HydrophobicContact CE2-CB 4.4Å; Y238-K242 HydrophobicContact CE2-CD 4.5Å; Y238-K242 WeakPolarHBondContact O-CB 3.35Å; Y238-K242 PolarHBondContact O-N 3.46Å
243T83.6Confident86.6Confident41 Ų4162.1 Ų62.125%0.25234%0.339SS..THydrogen-bonded Turntrans-108.218179.860.30000113.1M239 V240 E241 G245 S246 F247M239-T243 WeakPolarHBondContact O-CG2 3.37Å; M239-T243 PolarHBondContact O-N 2.85Å; M239-T243 PolarHBondContact O-OG1 3.17Å; V240-T243 PolarHBondContact O-N 3.36Å; V240-T243 PolarHBondContact O-OG1 3.41Å; E241-T243 PolarHBondContact O-N 3.45Å; E241-T243 VanDerWaalsContact O-N 3.16Å; T243-G245 PolarHBondContact O-N 3.16Å; T243-G245 VanDerWaalsContact O-N 3.12Å; T243-S246 WeakPolarHBondContact O-CB 3.49Å; T243-S246 PolarHBondContact O-N 3.38Å; T243-F247 HydrophobicContact CG2-CD2 3.47Å; T243-F247 VanDerWaalsContact CG2-CD2 3.47Å; T243-F247 HydrophobicContact CG2-CE2 3.49Å; T243-F247 VanDerWaalsContact CG2-CE2 3.49Å; T243-F247 VanDerWaalsContact OG1-CD2 3.27Å; T243-F247 WeakPolarHBondContact OG1-CD2 3.36Å; T243-F247 PolarHBondContact OG1-N 2.85Å
244D81.9Confident85Confident161 Ų16160.4 Ų60.486%0.86134%0.339SS*.THydrogen-bonded Turntrans50.236.5179.5-62-38.5000112.8V240 E241V240-D244 PolarHBondContact O-N 2.91Å; E241-D244 PolarHBondContact O-N 2.83Å; E241-D244 VanDerWaalsContact O-N 3.17Å
245G79.4Confident83.1Confident41 Ų4164.1 Ų64.142%0.42335%0.353SS..THydrogen-bonded Turntrans80.58.4-179.600000115.6V240 T243 F247V240-G245 PolarHBondContact O-N 3.26Å; T243-G245 PolarHBondContact O-N 3.16Å; T243-G245 VanDerWaalsContact O-N 3.12Å; G245-F247 PolarHBondContact O-N 2.95Å
246S85.1Confident81.2Confident67 Ų6771.8 Ų71.847%0.46938%0.383SS..  trans-64.8-27.6173.7177.50000112.8N181 T243N181-S246 PolarHBondContact ND2-O 2.95Å; T243-S246 WeakPolarHBondContact O-CB 3.49Å; T243-S246 PolarHBondContact O-N 3.38Å
247F90.9Very high79.4Confident4 Ų477.2 Ų77.22%0.01841%0.412CS..  trans-95.9124.8169.8-67.6-45.3000111.5L182 T197 Q199 V240 T243 G245L182-F247 HydrophobicContact CB-CB 4.14Å; L182-F247 HydrophobicContact CD1-CB 3.82Å; L182-F247 HydrophobicContact CD1-CD2 4.21Å; L182-F247 HydrophobicContact CD1-CG 3.99Å; T197-F247 VanDerWaalsContact CB-CE1 3.45Å; T197-F247 HydrophobicContact CG2-CD1 4.15Å; T197-F247 HydrophobicContact CG2-CD2 4.48Å; T197-F247 HydrophobicContact CG2-CE1 3.83Å; T197-F247 HydrophobicContact CG2-CE2 4.15Å; T197-F247 HydrophobicContact CG2-CG 4.48Å; T197-F247 HydrophobicContact CG2-CZ 3.82Å; Q199-F247 HydrophobicContact CG-CE1 3.55Å; Q199-F247 HydrophobicContact CG-CZ 4.02Å; Q199-F247 VanDerWaalsContact NE2-CE1 3.34Å; V240-F247 WeakPolarHBondContact CG2-O 3.5Å; T243-F247 HydrophobicContact CG2-CD2 3.47Å; T243-F247 VanDerWaalsContact CG2-CD2 3.47Å; T243-F247 HydrophobicContact CG2-CE2 3.49Å; T243-F247 VanDerWaalsContact CG2-CE2 3.49Å; T243-F247 VanDerWaalsContact OG1-CD2 3.27Å; T243-F247 WeakPolarHBondContact OG1-CD2 3.36Å; T243-F247 PolarHBondContact OG1-N 2.85Å; G245-F247 PolarHBondContact O-N 2.95Å
248T89.7Confident77.7Confident72 Ų7282.7 Ų82.744%0.44243%0.426SS..  trans-113.3120.2174.6-57.60000108.6G180 N181 L182 L250G180-T248 WeakPolarHBondContact CA-O 3.49Å; N181-T248 PolarHBondContact N-O 3.4Å; N181-T248 PolarHBondContact OD1-N 3.4Å; N181-T248 PolarHBondContact OD1-O 3.16Å; L182-T248 PolarHBondContact N-O 3.42Å; L182-T248 VanDerWaalsContact N-O 3.13Å; T248-L250 PolarHBondContact O-N 3.37Å
249P91.8Very high75.8Confident45 Ų4585.2 Ų85.229%0.29244%0.444SS..BIsolated β-bridgetrans-55.7126.5174.8-24.434.4000110.9C160 L182 V236 V240 N251C160-P249 HydrophobicContact CB-CB 3.69Å; L182-P249 HydrophobicContact CD2-CB 4.39Å; L182-P249 HydrophobicContact CD2-CG 4.41Å; L182-P249 CarbonylContact O-C 3.57Å; L182-P249 WeakPolarHBondContact O-CA 3.45Å; V236-P249 HydrophobicContact CG1-CB 4.34Å; V236-P249 HydrophobicContact CG1-CG 3.81Å; V240-P249 HydrophobicContact CG2-CG 3.96Å; P249-N251 PolarHBondContact O-N 2.7Å
250L89.6Confident74.3Confident0 Ų087.9 Ų87.90%046%0.458CS..  trans-63.5119.2178.317866.9000109.1C160 Y162 L172 L173 E176 K179 L182 L183 T248 I252C160-L250 VanDerWaalsContact CA-O 3.26Å; C160-L250 WeakPolarHBondContact CA-O 3.3Å; C160-L250 WeakPolarHBondContact CB-O 3.31Å; Y162-L250 HydrophobicContact CD2-CD2 4.21Å; Y162-L250 HydrophobicContact CE2-CB 4.25Å; Y162-L250 HydrophobicContact CE2-CD2 3.72Å; Y162-L250 HydrophobicContact CE2-CG 3.95Å; L172-L250 HydrophobicContact CD2-CD2 3.95Å; L172-L250 HydrophobicContact CG-CD2 4Å; L173-L250 HydrophobicContact CD2-CB 4.27Å; L173-L250 HydrophobicContact CD2-CD2 4.05Å; E176-L250 HydrophobicContact CB-CD1 4.05Å; E176-L250 HydrophobicContact CG-CD1 4.2Å; K179-L250 HydrophobicContact CB-CD1 4.04Å; L182-L250 WeakPolarHBondContact O-CB 3.31Å; L182-L250 PolarHBondContact O-N 2.91Å; L183-L250 HydrophobicContact CB-CB 4.18Å; L183-L250 HydrophobicContact CB-CD2 4.2Å; L183-L250 HydrophobicContact CD2-CD2 3.84Å; T248-L250 PolarHBondContact O-N 3.37Å; L250-I252 HydrophobicContact CD1-CD1 4.27Å; L250-I252 HydrophobicContact CD1-CG1 3.81Å; L250-I252 HydrophobicContact CD2-CD1 3.89Å; L250-I252 HydrophobicContact CD2-CG1 4.06Å; L250-I252 HydrophobicContact CG-CD1 4.22Å; L250-I252 HydrophobicContact CG-CG1 3.83Å
251N85.4Confident72.4Confident90 Ų9089 Ų8948%0.48147%0.468SS..  trans-121.588.2173.7-174.421.2000109.6K179 P249 E253K179-N251 PolarHBondContact O-N 3.14Å; P249-N251 PolarHBondContact O-N 2.7Å; N251-E253 PolarHBondContact O-N 3.13Å
252I77.1Confident70.9Confident37 Ų3788.3 Ų88.319%0.1946%0.463CS..  trans-83.9102.8166.2-46.8-177.3000105.4Y162 L172 E176 L250 A254Y162-I252 HydrophobicContact CE1-CB 4.35Å; Y162-I252 HydrophobicContact CE1-CD1 4.41Å; Y162-I252 HydrophobicContact CE1-CG1 4.46Å; Y162-I252 WeakPolarHBondContact OH-CB 3.42Å; Y162-I252 WeakPolarHBondContact OH-CG1 3.46Å; Y162-I252 PolarHBondContact OH-N 3.32Å; L172-I252 HydrophobicContact CD1-CD1 3.59Å; L172-I252 HydrophobicContact CD2-CD1 4.11Å; L172-I252 HydrophobicContact CG-CD1 3.88Å; E176-I252 HydrophobicContact CB-CD1 4.15Å; E176-I252 HydrophobicContact CG-CD1 4.08Å; E176-I252 HydrophobicContact CG-CG1 4.04Å; L250-I252 HydrophobicContact CD1-CD1 4.27Å; L250-I252 HydrophobicContact CD1-CG1 3.81Å; L250-I252 HydrophobicContact CD2-CD1 3.89Å; L250-I252 HydrophobicContact CD2-CG1 4.06Å; L250-I252 HydrophobicContact CG-CD1 4.22Å; L250-I252 HydrophobicContact CG-CG1 3.83Å; I252-A254 PolarHBondContact O-N 2.96Å
253E66.2Low69.7Low117 Ų11786 Ų8655%0.54746%0.456SS..  trans-62.672.4-178.2-157.2169.9-152.300111.2N251 H255 Y256N251-E253 PolarHBondContact O-N 3.13Å; E253-H255 PolarHBondContact O-N 3.28Å; E253-H255 VanDerWaalsContact O-N 3.13Å; E253-Y256 HydrophobicContact CG-CD2 4.05Å
254A55.7Low68.6Low41 Ų4186.6 Ų86.634%0.33947%0.465SS..THydrogen-bonded Turntrans-75.6-1-168.500000114I252I252-A254 PolarHBondContact O-N 2.96Å
255H50.1Low67.4Low151 Ų15182.6 Ų82.670%0.69945%0.446SS*.THydrogen-bonded Turntrans-106.1-20.3-174.7-74.7-67.2000114.7E253 N259E253-H255 PolarHBondContact O-N 3.28Å; E253-H255 VanDerWaalsContact O-N 3.13Å; H255-N259 PolarHBondContact O-ND2 2.74Å
256Y50.8Low66.5Low161 Ų16184.5 Ų84.563%0.63145%0.447SS*.THydrogen-bonded Turntrans-83-47.7176.3-91.1-83000111.5E253 K258 N259 I260E253-Y256 HydrophobicContact CG-CD2 4.05Å; Y256-K258 VanDerWaalsContact C-N 3.26Å; Y256-K258 PolarHBondContact O-N 3.23Å; Y256-N259 PolarHBondContact O-N 2.82Å; Y256-I260 WeakPolarHBondContact O-CG1 3.45Å; Y256-I260 PolarHBondContact O-N 2.75Å
257D53.9Low65.6Low124 Ų12491.6 Ų91.666%0.66347%0.469SS*.THydrogen-bonded Turntrans-65.1-26.9-175-70-17.4000114.2
258K53.9Low64.3Low170 Ų170100.1 Ų100.174%0.73951%0.509SS*.THydrogen-bonded Turntrans-84.8-14.7-179.5-65.7-179-175.4172.30114.1Y256Y256-K258 VanDerWaalsContact C-N 3.26Å; Y256-K258 PolarHBondContact O-N 3.23Å
259N50Low62.9Low120 Ų120102 Ų10264%0.64252%0.517SS*.THydrogen-bonded Turntrans-113.40.4-172.3-69.2-30.4000113.9H255 Y256 S261H255-N259 PolarHBondContact O-ND2 2.74Å; Y256-N259 PolarHBondContact O-N 2.82Å; N259-S261 PolarHBondContact O-N 2.88Å; N259-S261 VanDerWaalsContact O-N 3.13Å
260I56.9Low61.7Low69 Ų69102.5 Ų102.535%0.35453%0.53SS..  trans-80.196.2173.4-60.2158.9000108.3Y256 F262 L277Y256-I260 WeakPolarHBondContact O-CG1 3.45Å; Y256-I260 PolarHBondContact O-N 2.75Å; I260-F262 HydrophobicContact CG2-CD2 4.27Å; I260-F262 HydrophobicContact CG2-CE2 3.61Å; I260-F262 HydrophobicContact CG2-CZ 3.92Å; I260-L277 HydrophobicContact CB-CD1 3.84Å; I260-L277 HydrophobicContact CG2-CD1 3.77Å
261S51Low60.1Low65 Ų65108 Ų10846%0.45556%0.555SS.*EExtended strand (participates in β ladder)trans-103.8128.1169.262.10000110N259N259-S261 PolarHBondContact O-N 2.88Å; N259-S261 VanDerWaalsContact O-N 3.13Å
262F58.3Low59Low136 Ų136112.5 Ų112.560%0.59657%0.566SS**EExtended strand (participates in β ladder)trans-91.9140.4170.5-67.6-85.9000110.1I260 A264 Q275 L277I260-F262 HydrophobicContact CG2-CD2 4.27Å; I260-F262 HydrophobicContact CG2-CE2 3.61Å; I260-F262 HydrophobicContact CG2-CZ 3.92Å; F262-A264 PolarHBondContact O-N 2.67Å; F262-Q275 PolarHBondContact O-N 2.95Å; F262-L277 HydrophobicContact CD2-CG 4.47Å; F262-L277 HydrophobicContact CE2-CD1 4.24Å; F262-L277 HydrophobicContact CE2-CD2 4.15Å; F262-L277 HydrophobicContact CE2-CG 4.22Å
263I62Low58.2Low93 Ų93113.6 Ų113.648%0.47757%0.574SS.*EExtended strand (participates in β ladder)trans-87.998.9170.4-58.8172.7000106.8T265 R272 Q274I263-T265 PolarHBondContact O-N 3.43Å; I263-R272 HydrophobicContact CG2-CB 3.74Å; I263-R272 HydrophobicContact CG2-CG 3.81Å; I263-Q274 HydrophobicContact CG1-CG 4.46Å
264A61.5Low57.7Low54 Ų54114.7 Ų114.745%0.44658%0.58SS.*EExtended strand (participates in β ladder)trans-75.4121169.100000107.6F262 T273F262-A264 PolarHBondContact O-N 2.67Å; A264-T273 PolarHBondContact N-O 3.3Å; A264-T273 VanDerWaalsContact N-O 3.12Å; A264-T273 PolarHBondContact O-N 3.46Å
265T56.1Low57.8Low77 Ų77118.6 Ų118.647%0.47259%0.591SS.*EExtended strand (participates in β ladder)trans-97.9117.3172-44.40000107.4I263 K267 R272I263-T265 PolarHBondContact O-N 3.43Å; T265-K267 PolarHBondContact O-N 3.13Å; T265-R272 HydrophobicContact CG2-CG 4.16Å
266D61.1Low57.8Low82 Ų82116.6 Ų116.644%0.43959%0.591SS.*PPolyproline II helixtrans-66.4122.7172.5-171-17.7000108.8E268 G270 E271D266-E268 PolarHBondContact O-N 2.86Å; D266-E268 WeakPolarHBondContact OD1-CB 3.32Å; D266-E268 PolarHBondContact OD1-N 2.9Å; D266-G270 WeakPolarHBondContact O-CA 3.21Å; D266-G270 PolarHBondContact O-N 3.18Å; D266-E271 PolarHBondContact N-O 2.89Å
267K65.7Low57.8Low215 Ų215113.9 Ų113.994%0.93559%0.587SS**THydrogen-bonded Turntrans-73.3-14.1-179.2-69.3-175.2179.6179.60112.6T265T265-K267 PolarHBondContact O-N 3.13Å
268E64.4Low57.7Low184 Ų184118.1 Ų118.186%0.8659%0.594SS**THydrogen-bonded Turntrans-97.1-41.6-178.8-167.3175.8165.100111.9D266D266-E268 PolarHBondContact O-N 2.86Å; D266-E268 WeakPolarHBondContact OD1-CB 3.32Å; D266-E268 PolarHBondContact OD1-N 2.9Å
269N58.9Low57.3Low112 Ų112115.3 Ų115.360%0.59959%0.593SS**THydrogen-bonded Turntrans-107.4-8.5-175.1-154.636.3000114.8E271N269-E271 PolarHBondContact ND2-OE2 3.35Å; N269-E271 PolarHBondContact O-N 3.1Å; N269-E271 VanDerWaalsContact O-N 3.07Å
270G67.9Low57.1Low55 Ų55115.7 Ų115.757%0.56760%0.602SS**  trans67.24.3-177.500000114.7D266D266-G270 WeakPolarHBondContact O-CA 3.21Å; D266-G270 PolarHBondContact O-N 3.18Å
271E54.2Low56.6Low114 Ų114121 Ų12153%0.53363%0.625SS.*  trans-74.2136.3179.7-159.2177.6151.600110.3D266 N269D266-E271 PolarHBondContact N-O 2.89Å; N269-E271 PolarHBondContact ND2-OE2 3.35Å; N269-E271 PolarHBondContact O-N 3.1Å; N269-E271 VanDerWaalsContact O-N 3.07Å
272R62.7Low56.1Low186 Ų186125 Ų12570%0.70264%0.641SS**EExtended strand (participates in β ladder)trans-104.8105.7180-76.5-178.6179-1802.4109I263 T265I263-R272 HydrophobicContact CG2-CB 3.74Å; I263-R272 HydrophobicContact CG2-CG 3.81Å; T265-R272 HydrophobicContact CG2-CG 4.16Å
273T60.3Low55.4Low60 Ų60124.4 Ų124.437%0.36865%0.651SS.*EExtended strand (participates in β ladder)trans-106126.4-179.4-50.80000109.5A264 Q275A264-T273 PolarHBondContact N-O 3.3Å; A264-T273 VanDerWaalsContact N-O 3.12Å; A264-T273 PolarHBondContact O-N 3.46Å; T273-Q275 HydrophobicContact CG2-CG 4.19Å
274Q56Low54.5Low140 Ų140126.8 Ų126.865%0.65466%0.664SS**EExtended strand (participates in β ladder)trans-82.5119.6172.6-67.4-178.9-5.700108.5I263I263-Q274 HydrophobicContact CG1-CG 4.46Å
275Q57.7Low53.2Low122 Ų122129.9 Ų129.957%0.5768%0.679SS**EExtended strand (participates in β ladder)trans-120.6132.4176.3-68.7-170.3-0.200110.9F262 T273F262-Q275 PolarHBondContact O-N 2.95Å; T273-Q275 HydrophobicContact CG2-CG 4.19Å
276P50.8Low52.2Low110 Ų110132.6 Ų132.671%0.71470%0.695SS**EExtended strand (participates in β ladder)trans-66.8146.4170.8-16.129.3000111.5R278P276-R278 PolarHBondContact O-N 2.92Å; P276-R278 VanDerWaalsContact O-N 3.14Å
277L50.1Low50.9Low103 Ų103135 Ų13554%0.53971%0.713SS.*  trans-56.2115.3171.5-85.3156.4000110.2I260 F262I260-L277 HydrophobicContact CB-CD1 3.84Å; I260-L277 HydrophobicContact CG2-CD1 3.77Å; F262-L277 HydrophobicContact CD2-CG 4.47Å; F262-L277 HydrophobicContact CE2-CD1 4.24Å; F262-L277 HydrophobicContact CE2-CD2 4.15Å; F262-L277 HydrophobicContact CE2-CG 4.22Å
278R52.3Low49.4Very low214 Ų214130.7 Ų130.781%0.80870%0.704SS**PPolyproline II helixtrans-82.6143.2163.4-70.9-176.1-178.3175.81.8108.8P276P276-R278 PolarHBondContact O-N 2.92Å; P276-R278 VanDerWaalsContact O-N 3.14Å
279P45.2Very low47.8Very low111 Ų111131.8 Ų131.872%0.72171%0.706SS**PPolyproline II helixtrans-55.4144.1169.9-18.730.1000109.7E281P279-E281 PolarHBondContact O-N 3.12Å
280P45.9Very low46.6Very low128 Ų128130.4 Ų130.483%0.83171%0.71SS**PPolyproline II helixtrans-57.4125.4174.8-18.830.2000109.8
281E46.8Very low44.9Very low180 Ų180139.5 Ų139.584%0.84173%0.728SS**PPolyproline II helixtrans-65.3145165.4-70.6180169.300109P279P279-E281 PolarHBondContact O-N 3.12Å
282D40.2Very low43.9Very low148 Ų148140.8 Ų140.879%0.79174%0.738SS**PPolyproline II helixtrans-46.2140-171-64.8-52.9000113.4I284D282-I284 PolarHBondContact O-N 3.39Å
283P44.3Very low42.4Very low125 Ų125139.9 Ų139.981%0.81275%0.747SS**PPolyproline II helixtrans-67.8120.7-17925.9-31.1000110.9
284I42.3Very low41.2Very low143 Ų143145.7 Ų145.773%0.73377%0.77SS**PPolyproline II helixtrans-54.4130.8166.5-58.6167.9000108.3D282 V286D282-I284 PolarHBondContact O-N 3.39Å; I284-V286 PolarHBondContact O-N 3.02Å
285P33.9Very low40.5Very low119 Ų119143.5 Ų143.577%0.77377%0.768SS**  trans-68.1107.2178.225.8-31.2000109.8T287P285-T287 PolarHBondContact O-N 2.67Å
286V36.2Very low39.2Very low133 Ų133145.8 Ų145.881%0.80678%0.779SS**  trans-84.4112.3171.7179.50000108.7I284 V288I284-V286 PolarHBondContact O-N 3.02Å; V286-V288 PolarHBondContact O-N 3.01Å
287T33Very low38.6Very low133 Ų133145.9 Ų145.982%0.81678%0.779SS**  trans-61.3126.3174.8-39.70000110.9P285P285-T287 PolarHBondContact O-N 2.67Å
288V34Very low38Very low124 Ų124147 Ų14775%0.75279%0.791SS**  trans-54130.2177.3178.50000112.1V286V286-V288 PolarHBondContact O-N 3.01Å
289K31.9Very low37Very low207 Ų207146.5 Ų146.590%0.979%0.794SS**  trans-131.5112.1143.3-78.4-166.7177.2179.20109.5
290A32.4Very low36.1Very low83 Ų83148.8 Ų148.869%0.68680%0.8SS**  trans-62.2141.117500000111.6
291R33.6Very low36.1Very low247 Ų247148.2 Ų148.293%0.93280%0.797SS**  trans-150.6124.1140.4-106.3172.8-170.6-171.90.8108.8
292N32Very low35.6Very low140 Ų140145.8 Ų145.875%0.74980%0.796SS**  trans-58.3144.8173.4-64.2-23.4000110.4
293D32.5Very low35Very low167 Ų167143.5 Ų143.589%0.89380%0.798SS**  -179.8135.7112.2-80.8-28.5000110
294E33.8Very low34.3Very low182 Ų182142 Ų14285%0.8580%0.796SS**  trans-142.1156.6178.9-177.4-173.4142.300106.1
295P41.1Very low33.6Very low95 Ų95142.3 Ų142.362%0.61780%0.799SS**  cis-139.1179.4-25.836.7-19.2000116.6
296E32.1Very low33.6Very low170 Ų170146.4 Ų146.479%0.79481%0.805SS**  trans76.2162143.2-68.8-114.3146.600121.2
297P37.3Very low33.3Very low111 Ų111150.8 Ų150.872%0.72181%0.807SS**  cis-134.3173.2-14.5213.8000116.7
298V37.7Very low33.2Very low128 Ų128149.5 Ų149.578%0.77680%0.799SS**  trans-51.8139.4170.6176.50000115.8
299K29.9Very low33Very low203 Ų203152.5 Ų152.588%0.88381%0.805SS**  trans-154.9126.6143.2-67.9-164.8-178.9173.90113.1
300N28.3Very low32.9Very low158 Ų158152.1 Ų152.185%0.84580%0.803SS**  trans-122.4170.2154.5-83.3-21.4000106.7
301P45.9Very low32.8Very low117 Ų117152.3 Ų152.376%0.7680%0.804SS**  cis-126.1-163.5-2935.3-14.2000110
302P34.3Very low32.5Very low129 Ų129145.4 Ų145.484%0.83879%0.794SS**  -153.6174.285.937.9-16.4000116.8
303A28.8Very low32.5Very low100 Ų100144.6 Ų144.683%0.82679%0.794SS**  trans-84.3154.4177.900000114.6
304A28.6Very low32.4Very low94 Ų94141.9 Ų141.978%0.77778%0.784SS**  trans-176.3110.4145.300000107.4
305D28Very low32.2Very low149 Ų149140.7 Ų140.780%0.79778%0.783SS**  78.3118.679.4-15911.8000113.7
306K33.8Very low31.5Very low205 Ų205139.6 Ų139.689%0.89179%0.789SS**  trans-177.883.3148.4-100.3175.2-170-170.90112.6
307R30.5Very low31.3Very low224 Ų224137.7 Ų137.785%0.84579%0.793SS**  11.9151.5125.9-148.7-165.3176.3-178.9-0.5122
308V30.5Very low31Very low106 Ų106137.2 Ų137.264%0.64279%0.792SS**  trans93.5127.3151.7-1640000114.9
309E30.2Very low30.7Very low188 Ų188136.9 Ų136.988%0.87980%0.796SS**  cis-158.7175.342-146154.3-168.400114.2
310K30Very low30.6Very low199 Ų199130.9 Ų130.987%0.86579%0.792SS**  trans-129141.5-159.4-175.5-166-170.4-172.10110.4
311A29.3Very low30.7Very low86 Ų86132.6 Ų132.671%0.71180%0.795SS**  trans-171.6118.7150.500000107.7
312S28.3Very low29.9Very low103 Ų103133.5 Ų133.572%0.7280%0.798SS**  57.4123.365.777.80000111.5
313V31.7Very low29.9Very low122 Ų122138.6 Ų138.674%0.73980%0.801SS**  -168.5163.151.6165.60000109.5
314T29.6Very low30.3Very low111 Ų111139 Ų13968%0.68179%0.794SS**  trans-31.4172171.966.10000118.8
315D29.4Very low30.7Very low156 Ų156140.9 Ų140.983%0.83480%0.796SS**  cis-173.916732.7-123.2-36.9000109.8
316G26.7Very low31.3Very low72 Ų72139.3 Ų139.374%0.74279%0.794SS**  trans124.984.514300000122.4
317C29.3Very low31.5Very low131 Ų131138.7 Ų138.789%0.88579%0.794SS**  trans17.4129.7140.8-114.60000126.2
318S29.9Very low31.8Very low100 Ų100133.5 Ų133.570%0.69979%0.79SS**  87.9125117.8-149.10000125.5
319S31.8Very low32Very low122 Ų122140 Ų14085%0.85380%0.803SS**  trans84.1131.8137.7-73.20000123.8
320G27.3Very low32.4Very low77 Ų77141.1 Ų141.179%0.79481%0.805SS**  trans171.192.4161.500000113
321E32Very low33.1Very low194 Ų194139.4 Ų139.491%0.90780%0.804SS**  trans-59.6151.4166.2-78.9172.9112.400112.2
322T28Very low33.9Very low135 Ų135140.4 Ų140.483%0.82880%0.803SS**  178.3128.7124-63.80000110.4
323R35Very low34.7Very low237 Ų237141.7 Ų141.789%0.89481%0.809SS**  trans-118.2149.7152.5-112.2-174.6175.4-164.8-0105.6
324P36.9Very low35.1Very low107 Ų107141.6 Ų141.670%0.69581%0.813SS**  -162.5174.576.543.1-21.1000119.3
325V36.1Very low35.7Very low135 Ų135142.2 Ų142.282%0.81882%0.819SS**  trans87.7141.7151.1-173.90000121.3
326P40.5Very low36.3Very low116 Ų116139.3 Ų139.375%0.75382%0.816SS**  trans-111.6167.3-162.939.1-23.1000115.4
327E37.8Very low36.7Very low192 Ų192141.4 Ų141.490%0.89782%0.817SS**  trans-116.8162.1179.4-93.8-160.1171.500114.2
328P37Very low37.1Very low115 Ų115147.2 Ų147.275%0.74782%0.82SS**PPolyproline II helix-101.1165.9-128.935.7-34.7000117.9
329R34.8Very low37.2Very low242 Ų242148.6 Ų148.691%0.91382%0.824SS**PPolyproline II helixtrans-59.5133.5-179.6-61.7173.2178.2-172-2.1113.1
330K38.5Very low37.3Very low212 Ų212148 Ų14892%0.92282%0.82SS**PPolyproline II helixtrans-86.4119.2166.5-67.1-178179.3-178.20109.8
331L44.9Very low37.5Very low162 Ų162148.9 Ų148.985%0.84882%0.82SS**PPolyproline II helixtrans-83.2150.2170.6-72166.3000110.5
332P46.9Very low38Very low107 Ų107144.9 Ų144.970%0.69581%0.811SS**PPolyproline II helixtrans-77.5157.1172.632.2-32.7000111.9
333P44.1Very low38.2Very low130 Ų130145 Ų14584%0.84481%0.811SS**PPolyproline II helixtrans-76.2137.3-171.928.6-31.9000113.2
334C41.7Very low38.6Very low121 Ų121138.9 Ų138.982%0.81880%0.803SS**PPolyproline II helixtrans-72.9148.3169.3-71.10000112
335P40.7Very low39.1Very low124 Ų124139.5 Ų139.581%0.80581%0.806SS**PPolyproline II helixtrans-79.2147.1177.230.7-32.2000112.9
336A42.1Very low38.7Very low94 Ų94137.8 Ų137.878%0.77781%0.807SS**PPolyproline II helixtrans-72.7148.217900000113.1
337P34.6Very low38.3Very low117 Ų117137 Ų13776%0.7681%0.81SS**PPolyproline II helixtrans-84.8141.1-179.233.7-31.8000111.7
338R39.4Very low38.1Very low253 Ų253137.4 Ų137.496%0.95581%0.809SS**  trans-125.9123.5160.4-71.5-169-172.5-141.22.5109.8
339T31.7Very low38.2Very low129 Ų129137.9 Ų137.979%0.79181%0.812SS**  trans-98.7143.7-174.7-3.60000111.3
340S33.8Very low38Very low108 Ų108130.9 Ų130.976%0.75581%0.806SS**  trans64.2103.6147.957.90000122.7
341A31.3Very low37.5Very low96 Ų96126.5 Ų126.579%0.79380%0.8SS**  21.5173.2112.600000121.9
342P42.3Very low37Very low111 Ų111124.5 Ų124.572%0.72180%0.797SS**  cis-136.9-171.2-41.436.1-16000115
343T32.5Very low36.3Very low136 Ų136125 Ų12583%0.83480%0.799SS**  trans100.1149.815129.20000123.4
344P42.8Very low35.6Very low110 Ų110126.6 Ų126.671%0.71480%0.8SS**  trans-112.3-148.4-154.949.5-39.7000112.6
345P48.2Very low35.5Very low119 Ų119125 Ų12577%0.77380%0.796SS**  cis-138.2-165.4-9.639.5-17.7000116.5
346A27.4Very low35.2Very low100 Ų100125.3 Ų125.383%0.82680%0.798SS**  trans100.9140.4164.200000115.5
347A31.1Very low34.7Very low100 Ų100129.8 Ų129.883%0.82680%0.802SS**  cis-159.6165.64.800000110
348K33.9Very low34.8Very low200 Ų200133.7 Ų133.787%0.8781%0.807SS**  trans-61.2158.6164.3-74.6-177.3-179.3-179.70110.5
349P40.4Very low34.5Very low124 Ų124127.4 Ų127.481%0.80580%0.799SS**  -157177.564.141-18000119.6
350A29.9Very low34.4Very low96 Ų96132.8 Ų132.879%0.79381%0.805SS**  trans88.4121.3146.700000120.6
351C27.7Very low34.3Very low119 Ų119134.8 Ų134.880%0.80481%0.806SS**  trans-72.2158.3164.5-151.70000110
352P34.5Very low34.3Very low120 Ų120138.1 Ų138.178%0.77981%0.809SS**  -139.4145.5114.833.7-19.3000115
353T32Very low33.9Very low118 Ų118137.4 Ų137.472%0.72481%0.807SS**  trans-27.8132.2155.1-47.70000115
354N29Very low34.4Very low164 Ų164137.2 Ų137.288%0.87780%0.801SS**  trans-163.3133.1136.5-91.5-34.6000110.9
355A40.2Very low34.4Very low88 Ų88136.6 Ų136.673%0.72780%0.797SS**PPolyproline II helixtrans-69.6155.217400000111.4
356P34.7Very low34.2Very low130 Ų130138.4 Ų138.484%0.84480%0.795SS**PPolyproline II helixtrans-90117.4167.813.92.7000111
357E31.3Very low35Very low188 Ų188141.1 Ų141.188%0.87979%0.792SS**PPolyproline II helixtrans-63.5144.1162.8-70.6-179.2138.900111.5
358K37.9Very low35.5Very low199 Ų199144.2 Ų144.287%0.86579%0.79SS**PPolyproline II helixtrans-70133.9164.8-91.5176.4172175.50110.4
359P31.7Very low36.1Very low121 Ų121143.1 Ų143.179%0.78679%0.785SS**PPolyproline II helixtrans-85.1120.2155.4-7.825.7000110.3
360R30.4Very low36.5Very low241 Ų241144.8 Ų144.891%0.90978%0.782SS**PPolyproline II helixtrans-70126.5165.1-77.3173.7169.8165.7-3.5109.1
361I30.9Very low37.3Very low150 Ų150146.1 Ų146.177%0.76978%0.775SS**PPolyproline II helixtrans-83.2116.9163.5-63.4173000107S363I361-S363 PolarHBondContact O-N 3.46Å
362L31.9Very low38.1Very low166 Ų166146.5 Ų146.587%0.86977%0.768SS**  trans-81.2101.5163.9-121.5108.7000107.2
363S34.3Very low39Very low96 Ų96144.5 Ų144.567%0.67176%0.755SS**  trans-89.6120.5166.5-47.30000107.5I361 P365I361-S363 PolarHBondContact O-N 3.46Å; S363-P365 WeakPolarHBondContact O-CD 2.92Å
364N41.9Very low40.1Very low133 Ų133142 Ų14271%0.71175%0.746SS**  trans-93.5110.5175.2-15218000108.8E366N364-E366 PolarHBondContact O-N 3.17Å
365P42.8Very low41.2Very low97 Ų97137 Ų13763%0.6373%0.727SS**THydrogen-bonded Turntrans-89.914.5-169.334.4-33.3000115.1S363S363-P365 WeakPolarHBondContact O-CD 2.92Å
366E44.5Very low41.9Very low156 Ų156138.6 Ų138.673%0.72972%0.723SS**THydrogen-bonded Turntrans-98.5-8.9-171.5-86.1177.1135.900116N364N364-E366 PolarHBondContact O-N 3.17Å
367M43.3Very low43.1Very low157 Ų157136.4 Ų136.477%0.77371%0.711SS**SBendtrans-89.8-22.9-178.5-158.6171.4-7700114
368E41.7Very low44.6Very low165 Ų165133.3 Ų133.377%0.77170%0.697SS**THydrogen-bonded Turntrans-82.2-14.1-177.6-81.1-175.6148.100114.5
369K46.5Very low45.6Very low177 Ų177129.3 Ų129.377%0.7768%0.684SS**THydrogen-bonded Turntrans-85.2-7.8-178.3-75.5-175.1178.8178.10114.9
370Q48.6Very low47.3Very low160 Ų160131.9 Ų131.975%0.74868%0.683SS**THydrogen-bonded Turntrans-101.3-13.6-178.1-83.9177-2.400115.1P373Q370-P373 WeakPolarHBondContact O-CD 3.14Å
371I47.4Very low49.1Very low123 Ų123126.6 Ų126.663%0.63167%0.669SS**Hα-helixtrans-87.8-28-175.2-57.6176.3000111.9
372L45.6Very low50.7Low128 Ų128127.5 Ų127.567%0.6766%0.662SS**Hα-helixtrans-73.3-34.3-178.8-69.2171000115.8
373P53.2Low52.1Low78 Ų78125.5 Ų125.551%0.50665%0.652SS.*Hα-helixtrans-72.8-31-179.6-17.230.7000113.8Q370 S377Q370-P373 WeakPolarHBondContact O-CD 3.14Å; P373-S377 PolarHBondContact O-N 2.69Å
374A54.1Low53.4Low65 Ų65122.7 Ų122.754%0.53764%0.638SS.*Hα-helixtrans-71.3-43.6-176.200000112L376 S377 E378A374-L376 VanDerWaalsContact C-N 3.31Å; A374-L376 PolarHBondContact O-N 3.13Å; A374-S377 PolarHBondContact O-N 3.42Å; A374-E378 PolarHBondContact O-N 3.12Å
375A53.2Low54.1Low58 Ų58121.3 Ų121.348%0.47963%0.627SS.*Hα-helixtrans-65.9-32.5179.200000112.9L379A375-L379 PolarHBondContact O-N 3.14Å
376L54.9Low54.6Low122 Ų122124.3 Ų124.364%0.63963%0.63SS**Hα-helixtrans-74.9-31.3176.9-77.8170.2000113A374 K380A374-L376 VanDerWaalsContact C-N 3.31Å; A374-L376 PolarHBondContact O-N 3.13Å; L376-K380 PolarHBondContact O-N 2.85Å
377S59.6Low55Low84 Ų84121.6 Ų121.659%0.58762%0.624SS**Hα-helixtrans-69.1-39.4175.4-110.80000112.1P373 A374 K380 Q381P373-S377 PolarHBondContact O-N 2.69Å; A374-S377 PolarHBondContact O-N 3.42Å; S377-K380 PolarHBondContact O-N 3.34Å; S377-Q381 PolarHBondContact O-N 3.21Å; S377-Q381 VanDerWaalsContact O-N 3.13Å
378E63.1Low55.5Low124 Ų124122.7 Ų122.758%0.57963%0.625SS**Hα-helixtrans-69.5-37179.6-161.2170.1-173.900112.2A374 Q381 R382A374-E378 PolarHBondContact O-N 3.12Å; E378-Q381 PolarHBondContact O-N 3.41Å; E378-R382 WeakPolarHBondContact O-CG 3.38Å; E378-R382 PolarHBondContact O-N 3.04Å; E378-R382 VanDerWaalsContact O-N 3.09Å
379L57.5Low55.9Low114 Ų114122 Ų12260%0.59763%0.626SS**Hα-helixtrans-65.7-39.5174.8-109.2153.7000112.8A375 L383A375-L379 PolarHBondContact O-N 3.14Å; L379-L383 PolarHBondContact O-N 3.43Å; L379-L383 VanDerWaalsContact O-N 3.14Å
380K67.4Low56.2Low175 Ų175121 Ų12176%0.76163%0.628SS**Hα-helixtrans-67.1-38.1174.9-97.1-174.2174.3-1780112.4L376 S377 L383 G384L376-K380 PolarHBondContact O-N 2.85Å; S377-K380 PolarHBondContact O-N 3.34Å; K380-L383 PolarHBondContact O-N 3.03Å; K380-G384 PolarHBondContact O-N 3Å; K380-G384 VanDerWaalsContact O-N 3.12Å
381Q69.3Low56Low131 Ų131120.7 Ų120.761%0.61265%0.653SS**Hα-helixtrans-68.5-37.8179.3-159.3174.91100111.9S377 E378 G384 Q385S377-Q381 PolarHBondContact O-N 3.21Å; S377-Q381 VanDerWaalsContact O-N 3.13Å; E378-Q381 PolarHBondContact O-N 3.41Å; Q381-G384 PolarHBondContact O-N 3.18Å; Q381-Q385 WeakPolarHBondContact O-CG 3.38Å; Q381-Q385 PolarHBondContact O-N 3.35Å
382R63.7Low56.4Low169 Ų169120.6 Ų120.664%0.63865%0.654SS**Hα-helixtrans-68.4-35.7175-70.7-72.4-1771750.2113E378 K386E378-R382 WeakPolarHBondContact O-CG 3.38Å; E378-R382 PolarHBondContact O-N 3.04Å; E378-R382 VanDerWaalsContact O-N 3.09Å; R382-K386 PolarHBondContact O-N 3.38Å
383L61.2Low56.9Low124 Ų124120.2 Ų120.265%0.64965%0.653SS**Hα-helixtrans-70.1-35.7176.2-125.386.2000112.7L379 K380 K386 T387L379-L383 PolarHBondContact O-N 3.43Å; L379-L383 VanDerWaalsContact O-N 3.14Å; K380-L383 PolarHBondContact O-N 3.03Å; L383-K386 PolarHBondContact O-N 3.07Å; L383-T387 PolarHBondContact O-N 2.89Å; L383-T387 PolarHBondContact O-OG1 3.01Å
384G61.5Low57.2Low36 Ų36122.5 Ų122.537%0.37166%0.661SS.*Hα-helixtrans-71.2-31.6177.500000114.1K380 Q381 T387K380-G384 PolarHBondContact O-N 3Å; K380-G384 VanDerWaalsContact O-N 3.12Å; Q381-G384 PolarHBondContact O-N 3.18Å; G384-T387 WeakPolarHBondContact CA-OG1 3.48Å; G384-T387 PolarHBondContact O-OG1 3.49Å
385Q56.8Low57.3Low105 Ų105125.9 Ų125.949%0.49167%0.668SS.*Hα-helixtrans-73-31.8174.9-74.2177.2-8.500112.3Q381 T387 K388Q381-Q385 WeakPolarHBondContact O-CG 3.38Å; Q381-Q385 PolarHBondContact O-N 3.35Å; Q385-T387 VanDerWaalsContact C-N 3.34Å; Q385-K388 PolarHBondContact O-N 3.41Å
386K54.4Low57.6Low159 Ų159130.1 Ų130.169%0.69168%0.68SS**Hα-helixtrans-74.8-23.6180-150.1174.2-175.31800113.3R382 L383R382-K386 PolarHBondContact O-N 3.38Å; L383-K386 PolarHBondContact O-N 3.07Å
387T52.3Low57.8Low99 Ų99130.7 Ų130.761%0.60768%0.683SS**Hα-helixtrans-83.9-19.8176.529.90000113.5L383 G384 Q385L383-T387 PolarHBondContact O-N 2.89Å; L383-T387 PolarHBondContact O-OG1 3.01Å; G384-T387 WeakPolarHBondContact CA-OG1 3.48Å; G384-T387 PolarHBondContact O-OG1 3.49Å; Q385-T387 VanDerWaalsContact C-N 3.34Å
388K52.9Low57.7Low181 Ų181134 Ų13479%0.78769%0.69SS**THydrogen-bonded Turntrans-85.2-9.4172.9-80.5-173.6175.5-175.70114.8Q385Q385-K388 PolarHBondContact O-N 3.41Å
389L51.3Low57.2Low150 Ų150134.8 Ų134.879%0.78570%0.698SS**THydrogen-bonded Turntrans-95.92.5176.9-91.3156.8000113.3
390L52.1Low57.2Low155 Ų155136.5 Ų136.581%0.81271%0.706SS**  trans-124.519-179.3-85.8161.7000112.5
391A43.7Very low56.3Low154 Ų154133 Ų133100%1.27370%0.701SS**  trans-115.20171.900000110.1

Retrieved 391 of 391 residues in 264.4 ms (Link to these results)

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