A0A044TW81_ONCVO Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A044TW81, Species ONCVO (Onchocerca volvulus), Gene n/a, Length 164 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
1M39.8Very low56.6Low227 Ų227121.6 Ų121.6100%1.11865%0.648SS**  043.90-68.1-177.9131.900113.2
2H51.8Low58Low190 Ų190119.6 Ų119.688%0.8864%0.635SS**  trans-130.29.2-177-71.1-71.5000116
3G55.1Low59.4Low48 Ų48118.5 Ų118.550%0.49562%0.624SS.*SBendtrans-100.9-28.4-175.900000116.6S6G3-S6 PolarHBondContact O-OG 3.25Å; G3-S6 VanDerWaalsContact O-OG 3.11Å
4L52.5Low60.8Low145 Ų145118.3 Ų118.376%0.75962%0.622SS**Hα-helixtrans-84.9-27.1-169.4-76.6165.9000114.2S6 L7L4-S6 VanDerWaalsContact C-N 3.33Å; L4-S6 PolarHBondContact O-N 3.29Å; L4-L7 PolarHBondContact O-N 2.73Å
5L52.2Low62Low135 Ų135120 Ų12071%0.70763%0.625SS**Hα-helixtrans-70.7-27.8178.3-74.5168.2000112.6L7 T8 V9L5-L7 VanDerWaalsContact C-N 3.3Å; L5-L7 PolarHBondContact O-N 2.75Å; L5-T8 PolarHBondContact O-N 3.49Å; L5-T8 PolarHBondContact O-OG1 3.11Å; L5-V9 VanDerWaalsContact O-CG2 3.24Å; L5-V9 WeakPolarHBondContact O-CG2 3.42Å; L5-V9 PolarHBondContact O-N 3.2Å
6S55.7Low63.1Low71 Ų71123.1 Ų123.150%0.49763%0.626SS.*Hα-helixtrans-71.6-27.5178.6680000112.6G3 L4G3-S6 PolarHBondContact O-OG 3.25Å; G3-S6 VanDerWaalsContact O-OG 3.11Å; L4-S6 VanDerWaalsContact C-N 3.33Å; L4-S6 PolarHBondContact O-N 3.29Å
7L57.1Low64.2Low117 Ų117121.2 Ų121.261%0.61362%0.617SS**Hα-helixtrans-75.6-29.7177.7-81.7161.9000112.7L4 L5 P11L4-L7 PolarHBondContact O-N 2.73Å; L5-L7 VanDerWaalsContact C-N 3.3Å; L5-L7 PolarHBondContact O-N 2.75Å; L7-P11 WeakPolarHBondContact O-CD 3.38Å
8T60.1Low65.2Low76 Ų76117.9 Ų117.947%0.46661%0.607SS.*Hα-helixtrans-87.3-26.6179.258.10000113.3L5 P11L5-T8 PolarHBondContact O-N 3.49Å; L5-T8 PolarHBondContact O-OG1 3.11Å; T8-P11 WeakPolarHBondContact O-CD 3.32Å; T8-P11 VanDerWaalsContact O-CG 3.25Å; T8-P11 WeakPolarHBondContact O-CG 3.42Å
9V60.6Low66Low74 Ų74114.3 Ų114.345%0.44860%0.596SS.*Hα-helixtrans-70.2-34.6176.2173.10000111.8L5 I12 H13L5-V9 VanDerWaalsContact O-CG2 3.24Å; L5-V9 WeakPolarHBondContact O-CG2 3.42Å; L5-V9 PolarHBondContact O-N 3.2Å; V9-I12 PolarHBondContact O-N 3.1Å; V9-H13 PolarHBondContact O-N 3.42Å
10R65.7Low66.8Low188 Ų188114.2 Ų114.271%0.70960%0.596SS**Hα-helixtrans-58.9-50.8178.4-78.7-173.3175.7-158.70.1114.5I12 H13 I14R10-I12 VanDerWaalsContact C-N 3.33Å; R10-I12 PolarHBondContact O-N 3.24Å; R10-H13 PolarHBondContact O-N 3.15Å; R10-I14 WeakPolarHBondContact O-CG1 3.29Å; R10-I14 PolarHBondContact O-N 3.14Å; R10-I14 VanDerWaalsContact O-N 3.09Å
11P71.6Confident67.6Low67 Ų67116 Ų11644%0.43560%0.599SS.*Hα-helixtrans-65.4-35.3-178.923.2-33.5000112.7L7 T8 H13 I14 Q15L7-P11 WeakPolarHBondContact O-CD 3.38Å; T8-P11 WeakPolarHBondContact O-CD 3.32Å; T8-P11 VanDerWaalsContact O-CG 3.25Å; T8-P11 WeakPolarHBondContact O-CG 3.42Å; P11-H13 PolarHBondContact O-N 2.98Å; P11-I14 PolarHBondContact O-N 3.39Å; P11-Q15 WeakPolarHBondContact O-CB 3.13Å; P11-Q15 WeakPolarHBondContact O-CG 3.47Å; P11-Q15 PolarHBondContact O-N 3.05Å
12I74.4Confident69.5Low97 Ų97107.3 Ų107.350%0.49756%0.563SS.*Hα-helixtrans-64.4-42.1177.9-61.6170.3000110.7V9 R10 R16V9-I12 PolarHBondContact O-N 3.1Å; R10-I12 VanDerWaalsContact C-N 3.33Å; R10-I12 PolarHBondContact O-N 3.24Å; I12-R16 WeakPolarHBondContact O-CG 3.49Å; I12-R16 PolarHBondContact O-N 2.9Å
13H75.4Confident70.7Confident106 Ų106103.6 Ų103.649%0.49155%0.549SS..Hα-helixtrans-66.1-40.8175.8-93.2-75.4000112.7V9 R10 P11 R16 I17V9-H13 PolarHBondContact O-N 3.42Å; R10-H13 PolarHBondContact O-N 3.15Å; P11-H13 PolarHBondContact O-N 2.98Å; H13-R16 PolarHBondContact O-N 3.46Å; H13-I17 WeakPolarHBondContact O-CB 3.47Å; H13-I17 WeakPolarHBondContact O-CD1 3.46Å; H13-I17 VanDerWaalsContact O-CG1 3.22Å; H13-I17 WeakPolarHBondContact O-CG1 3.5Å; H13-I17 PolarHBondContact O-N 2.93Å
14I79.1Confident71.8Confident115 Ų115109.9 Ų109.959%0.5956%0.557SS**Hα-helixtrans-63.2-43.8178.2-66165.2000110.6R10 P11 R16 I17 S18R10-I14 WeakPolarHBondContact O-CG1 3.29Å; R10-I14 PolarHBondContact O-N 3.14Å; R10-I14 VanDerWaalsContact O-N 3.09Å; P11-I14 PolarHBondContact O-N 3.39Å; I14-R16 PolarHBondContact O-N 2.87Å; I14-I17 PolarHBondContact O-N 3.35Å; I14-S18 PolarHBondContact O-N 3.01Å; I14-S18 PolarHBondContact O-OG 3.47Å
15Q79.5Confident72.9Confident144 Ų144110.7 Ų110.767%0.67355%0.551SS**Hα-helixtrans-60.5-42.3175-79.9-110.2-15.900112.6P11 S18 A19P11-Q15 WeakPolarHBondContact O-CB 3.13Å; P11-Q15 WeakPolarHBondContact O-CG 3.47Å; P11-Q15 PolarHBondContact O-N 3.05Å; Q15-S18 WeakPolarHBondContact CA-OG 3.32Å; Q15-S18 PolarHBondContact O-N 3.46Å; Q15-S18 PolarHBondContact O-OG 3.04Å; Q15-A19 WeakPolarHBondContact O-CB 3.42Å; Q15-A19 PolarHBondContact O-N 3.36Å
16R78.9Confident73.6Confident169 Ų169110.8 Ų110.864%0.63855%0.546SS*.Hα-helixtrans-66.2-40.7176-75.9-176.8173.3-169.4-1.3112.2I12 H13 I14 A19 L20I12-R16 WeakPolarHBondContact O-CG 3.49Å; I12-R16 PolarHBondContact O-N 2.9Å; H13-R16 PolarHBondContact O-N 3.46Å; I14-R16 PolarHBondContact O-N 2.87Å; R16-A19 PolarHBondContact O-N 3.24Å; R16-L20 WeakPolarHBondContact O-CB 3.47Å; R16-L20 WeakPolarHBondContact O-CG 3.26Å; R16-L20 PolarHBondContact O-N 2.89Å
17I82Confident74Confident91 Ų91111.1 Ų111.147%0.46755%0.549SS..Hα-helixtrans-66.2-40.4177.8-67.6164.4000110.7H13 I14 K21H13-I17 WeakPolarHBondContact O-CB 3.47Å; H13-I17 WeakPolarHBondContact O-CD1 3.46Å; H13-I17 VanDerWaalsContact O-CG1 3.22Å; H13-I17 WeakPolarHBondContact O-CG1 3.5Å; H13-I17 PolarHBondContact O-N 2.93Å; I14-I17 PolarHBondContact O-N 3.35Å; I17-K21 WeakPolarHBondContact O-CB 3.37Å; I17-K21 WeakPolarHBondContact O-CG 3.49Å; I17-K21 PolarHBondContact O-N 3.19Å
18S81.9Confident74.3Confident63 Ų63113.5 Ų113.544%0.44155%0.554SS.*Hα-helixtrans-68.5-41.817764.10000111.9I14 Q15 K21 A22I14-S18 PolarHBondContact O-N 3.01Å; I14-S18 PolarHBondContact O-OG 3.47Å; Q15-S18 WeakPolarHBondContact CA-OG 3.32Å; Q15-S18 PolarHBondContact O-N 3.46Å; Q15-S18 PolarHBondContact O-OG 3.04Å; S18-K21 PolarHBondContact O-N 3.36Å; S18-A22 WeakPolarHBondContact O-CB 3.34Å; S18-A22 PolarHBondContact O-N 3.29Å
19A81.5Confident74.3Confident48 Ų48113.3 Ų113.340%0.39755%0.553SS.*Hα-helixtrans-61.9-44.817500000112.1Q15 R16 K21 A22 I23Q15-A19 WeakPolarHBondContact O-CB 3.42Å; Q15-A19 PolarHBondContact O-N 3.36Å; R16-A19 PolarHBondContact O-N 3.24Å; A19-K21 VanDerWaalsContact C-N 3.33Å; A19-K21 PolarHBondContact O-N 2.98Å; A19-A22 PolarHBondContact O-N 2.88Å; A19-I23 WeakPolarHBondContact O-CG1 3.12Å; A19-I23 PolarHBondContact O-N 3.36Å
20L80.8Confident73.8Confident113 Ų113114.1 Ų114.159%0.59256%0.558SS**Hα-helixtrans-64.1-37.6175.2-76170.2000112.2R16 R24R16-L20 WeakPolarHBondContact O-CB 3.47Å; R16-L20 WeakPolarHBondContact O-CG 3.26Å; R16-L20 PolarHBondContact O-N 2.89Å; L20-R24 VanDerWaalsContact O-CB 3.22Å; L20-R24 WeakPolarHBondContact O-CB 2.87Å; L20-R24 PolarHBondContact O-N 3.15Å
21K83.5Confident73.1Confident152 Ų152110.8 Ų110.866%0.66155%0.551SS**Hα-helixtrans-64.2-41.9172.2-83.8-176.4-178.7179.90111.5I17 S18 A19 R24 Y25I17-K21 WeakPolarHBondContact O-CB 3.37Å; I17-K21 WeakPolarHBondContact O-CG 3.49Å; I17-K21 PolarHBondContact O-N 3.19Å; S18-K21 PolarHBondContact O-N 3.36Å; A19-K21 VanDerWaalsContact C-N 3.33Å; A19-K21 PolarHBondContact O-N 2.98Å; K21-R24 PolarHBondContact O-N 3.15Å; K21-Y25 VanDerWaalsContact O-CB 3.27Å; K21-Y25 WeakPolarHBondContact O-CB 3.03Å; K21-Y25 PolarHBondContact O-N 3.03Å
22A80.3Confident72.2Confident45 Ų45112 Ų11237%0.37256%0.559SS.*Hα-helixtrans-64.3-48177.400000111.4S18 A19 R24 Y25 F26S18-A22 WeakPolarHBondContact O-CB 3.34Å; S18-A22 PolarHBondContact O-N 3.29Å; A19-A22 PolarHBondContact O-N 2.88Å; A22-R24 VanDerWaalsContact C-N 3.33Å; A22-R24 PolarHBondContact O-N 3.01Å; A22-Y25 PolarHBondContact O-N 3.41Å; A22-Y25 VanDerWaalsContact O-N 3.17Å; A22-F26 WeakPolarHBondContact O-CB 3.36Å; A22-F26 WeakPolarHBondContact O-CD2 3.38Å; A22-F26 PolarHBondContact O-N 3.13Å
23I77.3Confident71.1Confident112 Ų112113.7 Ų113.757%0.57457%0.568SS**Hα-helixtrans-60.5-42.9175.8-66.2165.5000110.8A19 Y25 F26 S27A19-I23 WeakPolarHBondContact O-CG1 3.12Å; A19-I23 PolarHBondContact O-N 3.36Å; I23-Y25 VanDerWaalsContact C-N 3.34Å; I23-F26 PolarHBondContact O-N 3.34Å; I23-S27 VanDerWaalsContact O-CB 3.27Å; I23-S27 WeakPolarHBondContact O-CB 3.15Å; I23-S27 PolarHBondContact O-N 3Å
24R76.8Confident69.9Low179 Ų179115.8 Ų115.868%0.67557%0.571SS**Hα-helixtrans-67.2-35.8177-170.8179.2-69.9-179-2.6112L20 K21 A22 K28L20-R24 VanDerWaalsContact O-CB 3.22Å; L20-R24 WeakPolarHBondContact O-CB 2.87Å; L20-R24 PolarHBondContact O-N 3.15Å; K21-R24 PolarHBondContact O-N 3.15Å; A22-R24 VanDerWaalsContact C-N 3.33Å; A22-R24 PolarHBondContact O-N 3.01Å; R24-K28 WeakPolarHBondContact O-CB 3.18Å; R24-K28 WeakPolarHBondContact O-CG 3.12Å; R24-K28 PolarHBondContact O-N 3.2Å
25Y75.6Confident68.4Low162 Ų162114.4 Ų114.464%0.63557%0.571SS**Hα-helixtrans-66.9-47.7174.4-164.8-92.5000110.2K21 A22 I23 S27 K28 T29K21-Y25 VanDerWaalsContact O-CB 3.27Å; K21-Y25 WeakPolarHBondContact O-CB 3.03Å; K21-Y25 PolarHBondContact O-N 3.03Å; A22-Y25 PolarHBondContact O-N 3.41Å; A22-Y25 VanDerWaalsContact O-N 3.17Å; I23-Y25 VanDerWaalsContact C-N 3.34Å; Y25-S27 VanDerWaalsContact C-N 3.34Å; Y25-S27 PolarHBondContact O-N 2.93Å; Y25-K28 CarbonylContact O-C 2.91Å; Y25-K28 WeakPolarHBondContact O-CB 3.21Å; Y25-K28 PolarHBondContact O-N 2.66Å; Y25-K28 VanDerWaalsContact O-N 3.08Å; Y25-T29 HydrophobicContact CD1-CG2 3.93Å; Y25-T29 HydrophobicContact CE1-CG2 3.68Å; Y25-T29 WeakPolarHBondContact O-CG2 3.23Å; Y25-T29 PolarHBondContact O-N 2.8Å; Y25-T29 PolarHBondContact O-OG1 3.49Å
26F67.8Low67.1Low138 Ų138115.5 Ų115.561%0.60557%0.573SS**Hα-helixtrans-60.4-40.3174.1-89.2-73.3000112.4A22 I23 K28 T29 T30A22-F26 WeakPolarHBondContact O-CB 3.36Å; A22-F26 WeakPolarHBondContact O-CD2 3.38Å; A22-F26 PolarHBondContact O-N 3.13Å; I23-F26 PolarHBondContact O-N 3.34Å; F26-K28 VanDerWaalsContact C-N 3.31Å; F26-K28 PolarHBondContact O-N 2.72Å; F26-T29 WeakPolarHBondContact CA-OG1 3.46Å; F26-T29 PolarHBondContact O-N 3.17Å; F26-T29 PolarHBondContact O-OG1 3.36Å; F26-T30 WeakPolarHBondContact O-CB 3.16Å; F26-T30 PolarHBondContact O-N 2.84Å; F26-T30 PolarHBondContact O-OG1 3.07Å
27S64.6Low66.1Low78 Ų78110.6 Ų110.655%0.54556%0.562SS.*Hα-helixtrans-66.7-30.8174.7169.50000112.7I23 Y25I23-S27 VanDerWaalsContact O-CB 3.27Å; I23-S27 WeakPolarHBondContact O-CB 3.15Å; I23-S27 PolarHBondContact O-N 3Å; Y25-S27 VanDerWaalsContact C-N 3.34Å; Y25-S27 PolarHBondContact O-N 2.93Å
28K63.2Low65Low166 Ų166110.9 Ų110.972%0.72256%0.562SS**Hα-helixtrans-75.3-32.2172.1-77.7-176.5176.5-168.60112.4R24 Y25 F26R24-K28 WeakPolarHBondContact O-CB 3.18Å; R24-K28 WeakPolarHBondContact O-CG 3.12Å; R24-K28 PolarHBondContact O-N 3.2Å; Y25-K28 CarbonylContact O-C 2.91Å; Y25-K28 WeakPolarHBondContact O-CB 3.21Å; Y25-K28 PolarHBondContact O-N 2.66Å; Y25-K28 VanDerWaalsContact O-N 3.08Å; F26-K28 VanDerWaalsContact C-N 3.31Å; F26-K28 PolarHBondContact O-N 2.72Å
29T59.9Low64Low73 Ų73112.1 Ų112.145%0.44857%0.567SS.*Hα-helixtrans-90.2-25.6-178.7590000113.7Y25 F26 Q31Y25-T29 HydrophobicContact CD1-CG2 3.93Å; Y25-T29 HydrophobicContact CE1-CG2 3.68Å; Y25-T29 WeakPolarHBondContact O-CG2 3.23Å; Y25-T29 PolarHBondContact O-N 2.8Å; Y25-T29 PolarHBondContact O-OG1 3.49Å; F26-T29 WeakPolarHBondContact CA-OG1 3.46Å; F26-T29 PolarHBondContact O-N 3.17Å; F26-T29 PolarHBondContact O-OG1 3.36Å; T29-Q31 PolarHBondContact O-N 3.43Å
30T50.4Low63.2Low91 Ų91111.2 Ų111.256%0.55856%0.562SS**SBendtrans-74.279.8165.134.90000108F26 P32F26-T30 WeakPolarHBondContact O-CB 3.16Å; F26-T30 PolarHBondContact O-N 2.84Å; F26-T30 PolarHBondContact O-OG1 3.07Å; T30-P32 WeakPolarHBondContact O-CD 3.48Å; T30-P32 WeakPolarHBondContact O-CG 3.36Å
31Q49.6Very low62.7Low118 Ų118112.5 Ų112.555%0.55156%0.563SS**  trans-50.2102.7170-69.8-175-3200110.6T29 R34T29-Q31 PolarHBondContact O-N 3.43Å; Q31-R34 HydrophobicContact CB-CB 4.3Å
32P53.7Low62.1Low92 Ų92111.5 Ų111.560%0.59756%0.56SS**Hα-helixtrans-87.1-1.2167.916.44.7000110.6T30T30-P32 WeakPolarHBondContact O-CD 3.48Å; T30-P32 WeakPolarHBondContact O-CG 3.36Å
33L50.3Low61.8Low132 Ų132111.7 Ų111.769%0.69156%0.562SS**Hα-helixtrans-93.2-36.4-177.2-67.1174.4000112.2V37L33-V37 WeakPolarHBondContact O-CB 2.96Å; L33-V37 WeakPolarHBondContact O-CG2 3.45Å; L33-V37 PolarHBondContact O-N 2.94Å
34R50.5Low61.8Low150 Ų150114 Ų11457%0.56657%0.568SS**Hα-helixtrans-70.5-44-173.9-143.9-173.6-167.6176.74.4112.1Q31 V37 E38Q31-R34 HydrophobicContact CB-CB 4.3Å; R34-V37 PolarHBondContact O-N 2.89Å; R34-E38 IonicContact NE-OE1 3.74Å; R34-E38 VanDerWaalsContact O-CB 3.32Å; R34-E38 WeakPolarHBondContact O-CB 3.3Å; R34-E38 VanDerWaalsContact O-CG 3.3Å; R34-E38 WeakPolarHBondContact O-CG 3.4Å; R34-E38 PolarHBondContact O-N 3.07Å
35C48.4Very low61.9Low86 Ų86107.6 Ų107.658%0.58155%0.551SS**Hα-helixtrans-69.4-39178.9-1460000112.2E38 V39C35-E38 PolarHBondContact O-N 3.08Å; C35-V39 WeakPolarHBondContact O-CB 3.32Å; C35-V39 VanDerWaalsContact O-CG2 3.23Å; C35-V39 WeakPolarHBondContact O-CG2 3.47Å; C35-V39 PolarHBondContact O-N 3.38Å
36K53Low62Low167 Ų167105.2 Ų105.273%0.72655%0.548SS*.Hα-helixtrans-67.5-35.7172.3-80-169.5174.8-175.20113G40K36-G40 WeakPolarHBondContact O-CA 3.12Å; K36-G40 PolarHBondContact O-N 3Å
37V57.4Low62.6Low67 Ų67103.5 Ų103.541%0.40655%0.549SS..Hα-helixtrans-71.9-37.2175.8169.30000110.7L33 R34 K41L33-V37 WeakPolarHBondContact O-CB 2.96Å; L33-V37 WeakPolarHBondContact O-CG2 3.45Å; L33-V37 PolarHBondContact O-N 2.94Å; R34-V37 PolarHBondContact O-N 2.89Å; V37-K41 HydrophobicContact CG1-CD 3.84Å; V37-K41 VanDerWaalsContact CG1-CE 3.42Å; V37-K41 HydrophobicContact CG1-CG 4.31Å; V37-K41 WeakPolarHBondContact O-CB 3.31Å; V37-K41 WeakPolarHBondContact O-CD 3.39Å; V37-K41 WeakPolarHBondContact O-CG 3.29Å; V37-K41 PolarHBondContact O-N 3.16Å
38E58.2Low63.3Low96 Ų96104.6 Ų104.645%0.44955%0.545SS..Hα-helixtrans-70.1-50.5176.6-76.7173.9-172.400111.2R34 C35 G40 K41 E42R34-E38 IonicContact NE-OE1 3.74Å; R34-E38 VanDerWaalsContact O-CB 3.32Å; R34-E38 WeakPolarHBondContact O-CB 3.3Å; R34-E38 VanDerWaalsContact O-CG 3.3Å; R34-E38 WeakPolarHBondContact O-CG 3.4Å; R34-E38 PolarHBondContact O-N 3.07Å; C35-E38 PolarHBondContact O-N 3.08Å; E38-G40 VanDerWaalsContact C-N 3.27Å; E38-G40 PolarHBondContact O-N 3.07Å; E38-K41 PolarHBondContact O-N 3.22Å; E38-K41 VanDerWaalsContact O-N 3.09Å; E38-E42 WeakPolarHBondContact O-CG 3.36Å; E38-E42 PolarHBondContact O-N 3.36Å
39V60.4Low64Low90 Ų90103.1 Ų103.155%0.54554%0.539SS..Hα-helixtrans-60.8-38.9174176.20000111.1C35 A43C35-V39 WeakPolarHBondContact O-CB 3.32Å; C35-V39 VanDerWaalsContact O-CG2 3.23Å; C35-V39 WeakPolarHBondContact O-CG2 3.47Å; C35-V39 PolarHBondContact O-N 3.38Å; V39-A43 WeakPolarHBondContact O-CB 3.23Å; V39-A43 PolarHBondContact O-N 2.99Å
40G66.4Low64.7Low29 Ų29101.9 Ų101.930%0.29954%0.536SS..Hα-helixtrans-67.3-35.2175.400000113.4K36 E38 K44K36-G40 WeakPolarHBondContact O-CA 3.12Å; K36-G40 PolarHBondContact O-N 3Å; E38-G40 VanDerWaalsContact C-N 3.27Å; E38-G40 PolarHBondContact O-N 3.07Å; G40-K44 WeakPolarHBondContact O-CB 3.46Å; G40-K44 VanDerWaalsContact O-CG 3.22Å; G40-K44 WeakPolarHBondContact O-CG 3.26Å; G40-K44 PolarHBondContact O-N 3.48Å
41K69.6Low65.9Low140 Ų14099.8 Ų99.861%0.60953%0.528SS*.Hα-helixtrans-72.6-42.6174.8-80.1170.8178.4-177.40111.3V37 E38 K44 S45V37-K41 HydrophobicContact CG1-CD 3.84Å; V37-K41 VanDerWaalsContact CG1-CE 3.42Å; V37-K41 HydrophobicContact CG1-CG 4.31Å; V37-K41 WeakPolarHBondContact O-CB 3.31Å; V37-K41 WeakPolarHBondContact O-CD 3.39Å; V37-K41 WeakPolarHBondContact O-CG 3.29Å; V37-K41 PolarHBondContact O-N 3.16Å; E38-K41 PolarHBondContact O-N 3.22Å; E38-K41 VanDerWaalsContact O-N 3.09Å; K41-K44 PolarHBondContact O-N 3.39Å; K41-S45 VanDerWaalsContact O-CB 3.27Å; K41-S45 WeakPolarHBondContact O-CB 3.38Å; K41-S45 PolarHBondContact O-N 2.73Å; K41-S45 PolarHBondContact O-OG 3.3Å
42E71.1Confident66.8Low130 Ų130101.2 Ų101.261%0.60753%0.528SS*.Hα-helixtrans-64.1-48.8176.5-72.3-166.3172.400110.7E38 K44 S45 L46E38-E42 WeakPolarHBondContact O-CG 3.36Å; E38-E42 PolarHBondContact O-N 3.36Å; E42-K44 PolarHBondContact O-N 2.89Å; E42-S45 PolarHBondContact O-N 3.35Å; E42-S45 VanDerWaalsContact O-N 3.12Å; E42-S45 PolarHBondContact O-OG 2.81Å; E42-L46 WeakPolarHBondContact O-CG 3.31Å; E42-L46 PolarHBondContact O-N 3.12Å
43A74Confident67.4Low50 Ų50104.5 Ų104.541%0.41353%0.533SS..Hα-helixtrans-60.2-45.4175.900000111.9V39 S45 L46 V47V39-A43 WeakPolarHBondContact O-CB 3.23Å; V39-A43 PolarHBondContact O-N 2.99Å; A43-S45 VanDerWaalsContact C-N 3.33Å; A43-S45 PolarHBondContact O-N 3.33Å; A43-L46 PolarHBondContact O-N 3.1Å; A43-V47 WeakPolarHBondContact O-CB 3.19Å; A43-V47 VanDerWaalsContact O-CG2 3.28Å; A43-V47 WeakPolarHBondContact O-CG2 3.48Å; A43-V47 PolarHBondContact O-N 2.92Å
44K75.9Confident68.2Low160 Ų160105.1 Ų105.170%0.69654%0.536SS*.Hα-helixtrans-60.5-41.6173.6-80.8-176.8177.1-168.20112G40 K41 E42 L46 V47 E48G40-K44 WeakPolarHBondContact O-CB 3.46Å; G40-K44 VanDerWaalsContact O-CG 3.22Å; G40-K44 WeakPolarHBondContact O-CG 3.26Å; G40-K44 PolarHBondContact O-N 3.48Å; K41-K44 PolarHBondContact O-N 3.39Å; E42-K44 PolarHBondContact O-N 2.89Å; K44-L46 PolarHBondContact O-N 2.97Å; K44-V47 PolarHBondContact O-N 3.35Å; K44-E48 VanDerWaalsContact O-CB 3.24Å; K44-E48 WeakPolarHBondContact O-CB 3.26Å; K44-E48 PolarHBondContact O-N 2.71Å
45S80Confident68.9Low45 Ų45101.9 Ų101.932%0.31553%0.531SS..Hα-helixtrans-68.4-33.9179.779.30000112.8K41 E42 A43 K49K41-S45 VanDerWaalsContact O-CB 3.27Å; K41-S45 WeakPolarHBondContact O-CB 3.38Å; K41-S45 PolarHBondContact O-N 2.73Å; K41-S45 PolarHBondContact O-OG 3.3Å; E42-S45 PolarHBondContact O-N 3.35Å; E42-S45 VanDerWaalsContact O-N 3.12Å; E42-S45 PolarHBondContact O-OG 2.81Å; A43-S45 VanDerWaalsContact C-N 3.33Å; A43-S45 PolarHBondContact O-N 3.33Å; S45-K49 VanDerWaalsContact O-CB 3.26Å; S45-K49 WeakPolarHBondContact O-CB 3.3Å; S45-K49 WeakPolarHBondContact O-CG 3.36Å; S45-K49 PolarHBondContact O-N 2.87Å
46L77.2Confident69.6Low112 Ų112101.8 Ų101.859%0.58653%0.529SS*.Hα-helixtrans-72-43175.8-72.1173.6000111E42 A43 K44 K49 A50E42-L46 WeakPolarHBondContact O-CG 3.31Å; E42-L46 PolarHBondContact O-N 3.12Å; A43-L46 PolarHBondContact O-N 3.1Å; K44-L46 PolarHBondContact O-N 2.97Å; L46-K49 PolarHBondContact O-N 3.46Å; L46-A50 WeakPolarHBondContact O-CB 3.41Å; L46-A50 PolarHBondContact O-N 2.74Å
47V80.4Confident70.1Confident101 Ų101102.5 Ų102.561%0.61253%0.532SS*.Hα-helixtrans-64.7-42.3175.1172.90000110.9A43 K44 A50 A51A43-V47 WeakPolarHBondContact O-CB 3.19Å; A43-V47 VanDerWaalsContact O-CG2 3.28Å; A43-V47 WeakPolarHBondContact O-CG2 3.48Å; A43-V47 PolarHBondContact O-N 2.92Å; K44-V47 PolarHBondContact O-N 3.35Å; V47-A50 PolarHBondContact O-N 2.75Å; V47-A51 VanDerWaalsContact O-CB 3.32Å; V47-A51 WeakPolarHBondContact O-CB 3.3Å; V47-A51 PolarHBondContact O-N 2.81Å
48E80Confident70Confident101 Ų101100.4 Ų100.447%0.47252%0.52SS..Hα-helixtrans-66.9-40.1176.8-167.6-177.4163.500111.6K44 A50 A51 R52K44-E48 VanDerWaalsContact O-CB 3.24Å; K44-E48 WeakPolarHBondContact O-CB 3.26Å; K44-E48 PolarHBondContact O-N 2.71Å; E48-A50 VanDerWaalsContact C-N 3.33Å; E48-A50 PolarHBondContact O-N 3.27Å; E48-A51 PolarHBondContact O-N 3.06Å; E48-R52 WeakPolarHBondContact O-CB 3.42Å; E48-R52 VanDerWaalsContact O-CG 3.3Å; E48-R52 WeakPolarHBondContact O-CG 3.35Å; E48-R52 PolarHBondContact O-N 3.24Å; E48-R52 IonicContact OE1-CZ 3.47Å; E48-R52 IonicContact OE1-NE 3.43Å; E48-R52 PolarHBondContact OE1-NE 2.86Å; E48-R52 IonicContact OE1-NH2 2.73Å; E48-R52 PolarHBondContact OE1-NH2 3.18Å
49K77.1Confident69.8Low135 Ų13598.9 Ų98.959%0.58752%0.524SS*.Hα-helixtrans-63.7-37.4172.2-79.3174.4-179177.50112.2S45 L46 K53S45-K49 VanDerWaalsContact O-CB 3.26Å; S45-K49 WeakPolarHBondContact O-CB 3.3Å; S45-K49 WeakPolarHBondContact O-CG 3.36Å; S45-K49 PolarHBondContact O-N 2.87Å; L46-K49 PolarHBondContact O-N 3.46Å; K49-K53 WeakPolarHBondContact O-CG 3.38Å; K49-K53 PolarHBondContact O-N 3.08Å; K49-K53 VanDerWaalsContact O-N 3.15Å
50A75.6Confident69.5Low48 Ų48100.2 Ų100.240%0.39753%0.533SS..Hα-helixtrans-70.7-43.5176.600000111.6L46 V47 E48 K53 L54L46-A50 WeakPolarHBondContact O-CB 3.41Å; L46-A50 PolarHBondContact O-N 2.74Å; V47-A50 PolarHBondContact O-N 2.75Å; E48-A50 VanDerWaalsContact C-N 3.33Å; E48-A50 PolarHBondContact O-N 3.27Å; A50-K53 PolarHBondContact O-N 2.69Å; A50-K53 VanDerWaalsContact O-N 3.15Å; A50-L54 PolarHBondContact O-N 3.04Å; A50-L54 VanDerWaalsContact O-N 3.07Å
51A74.3Confident68.8Low46 Ų46104.5 Ų104.538%0.3855%0.545SS..Hα-helixtrans-60-47.7174.900000111.1V47 E48 K53 L54 D55V47-A51 VanDerWaalsContact O-CB 3.32Å; V47-A51 WeakPolarHBondContact O-CB 3.3Å; V47-A51 PolarHBondContact O-N 2.81Å; E48-A51 PolarHBondContact O-N 3.06Å; A51-K53 VanDerWaalsContact C-N 3.25Å; A51-K53 PolarHBondContact O-N 3.22Å; A51-L54 CarbonylContact O-C 3.09Å; A51-L54 PolarHBondContact O-N 3.38Å; A51-D55 PolarHBondContact O-N 2.76Å
52R69Low67.9Low148 Ų148102.2 Ų102.256%0.55854%0.539SS*.Hα-helixtrans-61.9-28.3174.8-72.4-177.2-169.5-1555.2113.8E48 S58E48-R52 WeakPolarHBondContact O-CB 3.42Å; E48-R52 VanDerWaalsContact O-CG 3.3Å; E48-R52 WeakPolarHBondContact O-CG 3.35Å; E48-R52 PolarHBondContact O-N 3.24Å; E48-R52 IonicContact OE1-CZ 3.47Å; E48-R52 IonicContact OE1-NE 3.43Å; E48-R52 PolarHBondContact OE1-NE 2.86Å; E48-R52 IonicContact OE1-NH2 2.73Å; E48-R52 PolarHBondContact OE1-NH2 3.18Å; R52-S58 PolarHBondContact O-OG 3.08Å
53K67.3Low66.6Low162 Ų162102.9 Ų102.970%0.70454%0.542SS*.Hα-helixtrans-77.5-26175-79.5-178178.2-170.40112.9K49 A50 A51 Q61K49-K53 WeakPolarHBondContact O-CG 3.38Å; K49-K53 PolarHBondContact O-N 3.08Å; K49-K53 VanDerWaalsContact O-N 3.15Å; A50-K53 PolarHBondContact O-N 2.69Å; A50-K53 VanDerWaalsContact O-N 3.15Å; A51-K53 VanDerWaalsContact C-N 3.25Å; A51-K53 PolarHBondContact O-N 3.22Å; K53-Q61 PolarHBondContact O-NE2 3.35Å
54L66.7Low65.7Low144 Ų144104.8 Ų104.875%0.75455%0.551SS**Hα-helixtrans-96.9-16.4-177.6-105.2134.4000113.5A50 A51 P56A50-L54 PolarHBondContact O-N 3.04Å; A50-L54 VanDerWaalsContact O-N 3.07Å; A51-L54 CarbonylContact O-C 3.09Å; A51-L54 PolarHBondContact O-N 3.38Å; L54-P56 WeakPolarHBondContact O-CD 3.3Å
55D65.4Low64.6Low83 Ų83102.6 Ų102.644%0.44455%0.551SS.*  trans-69.2108.1176-83.2-29000110.1A51 F57 S58A51-D55 PolarHBondContact O-N 2.76Å; D55-F57 PolarHBondContact O-N 2.79Å; D55-F57 VanDerWaalsContact O-N 3.09Å; D55-S58 PolarHBondContact O-N 2.73Å; D55-S58 PolarHBondContact O-OG 3.01Å
56P62Low63.1Low84 Ų84103.4 Ų103.455%0.54556%0.56SS.*THydrogen-bonded Turntrans-68.4-10.8-178.930-35.2000112.8L54L54-P56 WeakPolarHBondContact O-CD 3.3Å
57F63.6Low61.8Low182 Ų182104.9 Ų104.980%0.79857%0.568SS**THydrogen-bonded Turntrans-104.9-4.8176.7-58.3-73.1000112.8D55 A59 N62D55-F57 PolarHBondContact O-N 2.79Å; D55-F57 VanDerWaalsContact O-N 3.09Å; F57-A59 PolarHBondContact O-N 3.41Å; F57-N62 PolarHBondContact O-ND2 3.45Å
58S56.1Low60.4Low22 Ų22105.9 Ų105.915%0.15457%0.565CS.*  trans-68.4124177.669.80000109.2R52 D55 V60 Q61R52-S58 PolarHBondContact O-OG 3.08Å; D55-S58 PolarHBondContact O-N 2.73Å; D55-S58 PolarHBondContact O-OG 3.01Å; S58-V60 PolarHBondContact O-N 3.34Å; S58-Q61 PolarHBondContact O-N 2.8Å; S58-Q61 VanDerWaalsContact O-N 3.09Å
59A53.8Low59.1Low65 Ų65105 Ų10554%0.53757%0.57SS.*THydrogen-bonded Turntrans-57.4-14.4-17000000114.5F57 N62 E63F57-A59 PolarHBondContact O-N 3.41Å; A59-N62 CarbonylContact O-C 3.58Å; A59-N62 WeakPolarHBondContact O-CA 3.43Å; A59-N62 PolarHBondContact O-N 3.49Å; A59-E63 PolarHBondContact O-N 3.47Å
60V55.2Low57.8Low118 Ų118107.2 Ų107.272%0.71558%0.582SS**THydrogen-bonded Turntrans-70.9-31.3178.4177.50000112.4S58 N62S58-V60 PolarHBondContact O-N 3.34Å; V60-N62 VanDerWaalsContact C-N 3.31Å
61Q50.5Low56.7Low119 Ų119109.5 Ų109.556%0.55658%0.584SS**THydrogen-bonded Turntrans-78.8-22.4166-78.9-176-13.800111.8K53 S58 E63K53-Q61 PolarHBondContact O-NE2 3.35Å; S58-Q61 PolarHBondContact O-N 2.8Å; S58-Q61 VanDerWaalsContact O-N 3.09Å; Q61-E63 VanDerWaalsContact C-N 3.33Å
62N50.5Low55.7Low92 Ų92111.8 Ų111.849%0.49259%0.589SS.*THydrogen-bonded Turntrans-92.916.6178.4-46.9-27.2000113.1F57 A59 V60 P64F57-N62 PolarHBondContact O-ND2 3.45Å; A59-N62 CarbonylContact O-C 3.58Å; A59-N62 WeakPolarHBondContact O-CA 3.43Å; A59-N62 PolarHBondContact O-N 3.49Å; V60-N62 VanDerWaalsContact C-N 3.31Å; N62-P64 WeakPolarHBondContact O-CD 3.32Å
63E44.8Very low54.8Low143 Ų143107.4 Ų107.467%0.66859%0.591SS**  trans-96.468.5160.1-72.9-168.2-172.300110.1A59 Q61 T65A59-E63 PolarHBondContact O-N 3.47Å; Q61-E63 VanDerWaalsContact C-N 3.33Å; E63-T65 PolarHBondContact O-N 2.84Å
64P53.8Low54.1Low91 Ų91109 Ų10959%0.59160%0.598SS**  trans-84.254.7178.939.1-38.7000110.1N62N62-P64 WeakPolarHBondContact O-CD 3.32Å
65T52.6Low53.5Low114 Ų114107.8 Ų107.870%0.69959%0.588SS**SBendtrans-151.6-25.5-179.838.80000119.1E63E63-T65 PolarHBondContact O-N 2.84Å
66A49.8Very low53.2Low62 Ų62104.9 Ų104.951%0.51258%0.578SS.*THydrogen-bonded Turntrans-79.6-46.3-173.200000113.8F68 S69A66-F68 PolarHBondContact O-N 3.3Å; A66-S69 PolarHBondContact O-OG 3.4Å
67N49.9Very low53.2Low142 Ų142107.9 Ų107.976%0.75958%0.583SS**THydrogen-bonded Turntrans-85.2-6.8-175.8-65.7-28.9000114.2S69 H71N67-S69 VanDerWaalsContact C-N 3.34Å; N67-H71 PolarHBondContact O-ND1 2.88Å
68F49.9Very low53.6Low123 Ų123104.6 Ų104.654%0.53957%0.57SS.*THydrogen-bonded Turntrans-74.1-26.1171.2-92.1-87.9000113A66 H70 H71 L72A66-F68 PolarHBondContact O-N 3.3Å; F68-H70 VanDerWaalsContact C-N 3.34Å; F68-H70 PolarHBondContact O-N 2.95Å; F68-H71 WeakPolarHBondContact CA-CE1 3.26Å; F68-H71 AromaticContact CD1-CE1 3.17Å; F68-H71 WeakPolarHBondContact CD1-CE1 3.37Å; F68-H71 AromaticContact CD1-NE2 3.02Å; F68-H71 WeakPolarHBondContact CD1-NE2 3.21Å; F68-H71 AromaticContact CE1-CE1 3.54Å; F68-H71 AromaticContact CE1-NE2 3.2Å; F68-H71 WeakPolarHBondContact CE1-NE2 3.49Å; F68-H71 AromaticContact CG-CE1 3.49Å; F68-H71 VanDerWaalsContact CG-CE1 3.49Å; F68-H71 WeakPolarHBondContact CG-CE1 3.35Å; F68-H71 AromaticContact CG-NE2 3.84Å; F68-L72 HydrophobicContact CB-CD1 4.15Å; F68-L72 HydrophobicContact CD1-CD1 3.63Å; F68-L72 HydrophobicContact CG-CD1 4.39Å; F68-L72 WeakPolarHBondContact O-CD1 3.36Å; F68-L72 PolarHBondContact O-N 3.48Å
69S52.6Low54.6Low82 Ų82108 Ų10857%0.57359%0.586SS**Hα-helixtrans-61.6-38.4-179.663.90000113.5A66 N67A66-S69 PolarHBondContact O-OG 3.4Å; N67-S69 VanDerWaalsContact C-N 3.34Å
70H50.2Low56Low181 Ų181112 Ų11284%0.83859%0.588SS**Hα-helixtrans-82.7-16.9-171.3-131.4-82.3000114.5F68F68-H70 VanDerWaalsContact C-N 3.34Å; F68-H70 PolarHBondContact O-N 2.95Å
71H53.3Low57.5Low96 Ų96110.5 Ų110.544%0.44458%0.581SS.*Hα-helixtrans-105.3-16.417669.5-99.2000113.8N67 F68 G73N67-H71 PolarHBondContact O-ND1 2.88Å; F68-H71 WeakPolarHBondContact CA-CE1 3.26Å; F68-H71 AromaticContact CD1-CE1 3.17Å; F68-H71 WeakPolarHBondContact CD1-CE1 3.37Å; F68-H71 AromaticContact CD1-NE2 3.02Å; F68-H71 WeakPolarHBondContact CD1-NE2 3.21Å; F68-H71 AromaticContact CE1-CE1 3.54Å; F68-H71 AromaticContact CE1-NE2 3.2Å; F68-H71 WeakPolarHBondContact CE1-NE2 3.49Å; F68-H71 AromaticContact CG-CE1 3.49Å; F68-H71 VanDerWaalsContact CG-CE1 3.49Å; F68-H71 WeakPolarHBondContact CG-CE1 3.35Å; F68-H71 AromaticContact CG-NE2 3.84Å; H71-G73 VanDerWaalsContact C-N 3.31Å
72L51.8Low59.3Low94 Ų94110 Ų11049%0.49258%0.58SS.*Hα-helixtrans-75.9-15.5167.9-92.890.9000113.6F68 F74 G76F68-L72 HydrophobicContact CB-CD1 4.15Å; F68-L72 HydrophobicContact CD1-CD1 3.63Å; F68-L72 HydrophobicContact CG-CD1 4.39Å; F68-L72 WeakPolarHBondContact O-CD1 3.36Å; F68-L72 PolarHBondContact O-N 3.48Å; L72-F74 VanDerWaalsContact C-N 3.34Å; L72-F74 PolarHBondContact O-N 2.92Å; L72-G76 WeakPolarHBondContact O-CA 3.25Å; L72-G76 PolarHBondContact O-N 3.1Å
73G51.7Low61.1Low57 Ų57109.9 Ų109.959%0.58858%0.577SS**Hα-helixtrans-64-35.7-178.800000114.1H71H71-G73 VanDerWaalsContact C-N 3.31Å
74F52.3Low63.3Low194 Ų194104.9 Ų104.985%0.85156%0.564SS**Hα-helixtrans-104.5-27.7-177.5-150.2-99.8000113.2L72L72-F74 VanDerWaalsContact C-N 3.34Å; L72-F74 PolarHBondContact O-N 2.92Å
75H54.1Low65.2Low119 Ų119105.9 Ų105.955%0.55156%0.561SS**Hα-helixtrans-93.7-7.8173.9-111.9-6.9000114.1F77 E78H75-F77 PolarHBondContact O-N 3.38Å; H75-F77 VanDerWaalsContact O-N 3.11Å; H75-E78 VanDerWaalsContact CE1-CD 3.41Å; H75-E78 IonicContact CE1-OE1 3.07Å; H75-E78 PolarHBondContact CE1-OE1 2.91Å; H75-E78 IonicContact CE1-OE2 3.73Å; H75-E78 VanDerWaalsContact ND1-CD 3.34Å; H75-E78 IonicContact ND1-OE1 3.93Å; H75-E78 PolarHBondContact ND1-OE1 2.92Å; H75-E78 VanDerWaalsContact ND1-OE1 3.07Å; H75-E78 IonicContact ND1-OE2 2.88Å; H75-E78 IonicContact NE2-OE1 3.45Å; H75-E78 WeakPolarHBondContact O-CB 3.09Å; H75-E78 PolarHBondContact O-N 3.42Å
76G59.2Low67.2Low23 Ų23105 Ų10524%0.23756%0.555CS.*G310 helixtrans-62.5-17.8177.100000113.5L72 E78 L79L72-G76 WeakPolarHBondContact O-CA 3.25Å; L72-G76 PolarHBondContact O-N 3.1Å; G76-E78 VanDerWaalsContact C-N 3.25Å; G76-E78 PolarHBondContact O-N 3.38Å; G76-L79 PolarHBondContact O-N 3.28Å
77F62.6Low69.4Low146 Ų146107 Ų10764%0.6456%0.556SS**G310 helixtrans-69.6-19.6173.7-73.5-73.3000114H75 L79 Y80 P81H75-F77 PolarHBondContact O-N 3.38Å; H75-F77 VanDerWaalsContact O-N 3.11Å; F77-L79 VanDerWaalsContact C-N 3.27Å; F77-L79 PolarHBondContact O-N 3.5Å; F77-Y80 AromaticContact CD1-CD2 3.91Å; F77-Y80 HydrophobicContact CD1-CD2 3.91Å; F77-Y80 AromaticContact CD1-CE2 3.93Å; F77-Y80 HydrophobicContact CD1-CE2 3.93Å; F77-Y80 HydrophobicContact CE1-CE2 4.22Å; F77-P81 WeakPolarHBondContact O-CD 3.15Å
78E71.5Confident71.6Confident113 Ų113102.3 Ų102.353%0.52854%0.537SS..G310 helixtrans-75.4-17.3176.2-64.1-173.2175.300112.9H75 G76 P81H75-E78 VanDerWaalsContact CE1-CD 3.41Å; H75-E78 IonicContact CE1-OE1 3.07Å; H75-E78 PolarHBondContact CE1-OE1 2.91Å; H75-E78 IonicContact CE1-OE2 3.73Å; H75-E78 VanDerWaalsContact ND1-CD 3.34Å; H75-E78 IonicContact ND1-OE1 3.93Å; H75-E78 PolarHBondContact ND1-OE1 2.92Å; H75-E78 VanDerWaalsContact ND1-OE1 3.07Å; H75-E78 IonicContact ND1-OE2 2.88Å; H75-E78 IonicContact NE2-OE1 3.45Å; H75-E78 WeakPolarHBondContact O-CB 3.09Å; H75-E78 PolarHBondContact O-N 3.42Å; G76-E78 VanDerWaalsContact C-N 3.25Å; G76-E78 PolarHBondContact O-N 3.38Å; E78-P81 VanDerWaalsContact O-CD 3.25Å; E78-P81 WeakPolarHBondContact O-CD 3.2Å; E78-P81 WeakPolarHBondContact O-CG 3.47Å
79L77.3Confident73.8Confident93 Ų93103.3 Ų103.349%0.48754%0.537SS..Hα-helixtrans-75.8-33.6177.2-169.663.5000112.1G76 F77 I82 Q83G76-L79 PolarHBondContact O-N 3.28Å; F77-L79 VanDerWaalsContact C-N 3.27Å; F77-L79 PolarHBondContact O-N 3.5Å; L79-I82 PolarHBondContact O-N 3.31Å; L79-Q83 HydrophobicContact CD1-CG 4.42Å; L79-Q83 HydrophobicContact CG-CG 4.05Å; L79-Q83 WeakPolarHBondContact O-CB 3.49Å; L79-Q83 WeakPolarHBondContact O-CG 3.17Å; L79-Q83 PolarHBondContact O-N 3.39Å
80Y82.2Confident75.9Confident151 Ų151101.7 Ų101.759%0.59253%0.529SS*.Hα-helixtrans-57.8-46.3178.8-69.5-67.1000114.5F77 I82 Q83 G84F77-Y80 AromaticContact CD1-CD2 3.91Å; F77-Y80 HydrophobicContact CD1-CD2 3.91Å; F77-Y80 AromaticContact CD1-CE2 3.93Å; F77-Y80 HydrophobicContact CD1-CE2 3.93Å; F77-Y80 HydrophobicContact CE1-CE2 4.22Å; Y80-I82 VanDerWaalsContact C-N 3.3Å; Y80-I82 PolarHBondContact O-N 3.04Å; Y80-Q83 PolarHBondContact O-N 2.86Å; Y80-G84 PolarHBondContact O-N 3.43Å
81P87.2Confident78.1Confident85 Ų8597.8 Ų97.855%0.55251%0.513SS*.Hα-helixtrans-65-35.8177.324.2-34000112F77 E78 G84 Q85F77-P81 WeakPolarHBondContact O-CD 3.15Å; E78-P81 VanDerWaalsContact O-CD 3.25Å; E78-P81 WeakPolarHBondContact O-CD 3.2Å; E78-P81 WeakPolarHBondContact O-CG 3.47Å; P81-G84 PolarHBondContact O-N 2.86Å; P81-Q85 VanDerWaalsContact O-CB 3.3Å; P81-Q85 WeakPolarHBondContact O-CB 3.38Å; P81-Q85 PolarHBondContact O-N 2.99Å
82I87.8Confident80.1Confident108 Ų10896.3 Ų96.355%0.55451%0.511SS*.Hα-helixtrans-66.9-45.7176.5-61.1173.9000110.3L79 Y80 Q85 V86L79-I82 PolarHBondContact O-N 3.31Å; Y80-I82 VanDerWaalsContact C-N 3.3Å; Y80-I82 PolarHBondContact O-N 3.04Å; I82-Q85 PolarHBondContact O-N 2.97Å; I82-V86 WeakPolarHBondContact O-CG2 3.02Å; I82-V86 PolarHBondContact O-N 3.24Å
83Q87.9Confident82.2Confident90 Ų9096.6 Ų96.642%0.42151%0.512SS..Hα-helixtrans-62.4-44.2176.1-73.9177.5-17.900111.8L79 Y80 Q85 V86 I87L79-Q83 HydrophobicContact CD1-CG 4.42Å; L79-Q83 HydrophobicContact CG-CG 4.05Å; L79-Q83 WeakPolarHBondContact O-CB 3.49Å; L79-Q83 WeakPolarHBondContact O-CG 3.17Å; L79-Q83 PolarHBondContact O-N 3.39Å; Y80-Q83 PolarHBondContact O-N 2.86Å; Q83-Q85 VanDerWaalsContact C-N 3.31Å; Q83-Q85 PolarHBondContact O-N 2.97Å; Q83-V86 PolarHBondContact O-N 3.47Å; Q83-I87 WeakPolarHBondContact O-CD1 3.49Å; Q83-I87 VanDerWaalsContact O-CG1 3.26Å; Q83-I87 WeakPolarHBondContact O-CG1 3.15Å; Q83-I87 PolarHBondContact O-N 3.42Å
84G92.7Very high84.2Confident38 Ų3898.7 Ų98.739%0.39251%0.513SS..Hα-helixtrans-59.1-42.117500000112.2Y80 P81 I87 A88Y80-G84 PolarHBondContact O-N 3.43Å; P81-G84 PolarHBondContact O-N 2.86Å; G84-I87 PolarHBondContact O-N 3.45Å; G84-A88 VanDerWaalsContact O-CB 3.32Å; G84-A88 WeakPolarHBondContact O-CB 3.13Å; G84-A88 PolarHBondContact O-N 3.29Å
85Q92.2Very high86.2Confident113 Ų11393.9 Ų93.953%0.52850%0.496SS..Hα-helixtrans-64.7-41.8176.9-174.167.80.100112.4P81 I82 Q83 A88 W89P81-Q85 VanDerWaalsContact O-CB 3.3Å; P81-Q85 WeakPolarHBondContact O-CB 3.38Å; P81-Q85 PolarHBondContact O-N 2.99Å; I82-Q85 PolarHBondContact O-N 2.97Å; Q83-Q85 VanDerWaalsContact C-N 3.31Å; Q83-Q85 PolarHBondContact O-N 2.97Å; Q85-A88 PolarHBondContact O-N 3.42Å; Q85-W89 PolarHBondContact O-N 3Å
86V95.4Very high88.1Confident96 Ų9693 Ų9358%0.58249%0.494SS*.Hα-helixtrans-64.7-42.7176.4172.70000110.9I82 Q83 W89 A90I82-V86 WeakPolarHBondContact O-CG2 3.02Å; I82-V86 PolarHBondContact O-N 3.24Å; Q83-V86 PolarHBondContact O-N 3.47Å; V86-W89 PolarHBondContact O-N 3.24Å; V86-A90 WeakPolarHBondContact O-CB 2.9Å; V86-A90 PolarHBondContact O-N 2.85Å
87I95.3Very high89.6Confident103 Ų10394.6 Ų94.653%0.52851%0.505SS..Hα-helixtrans-65.1-43.3177.1-66.2164.2000110.6Q83 G84 W89 A90 I91Q83-I87 WeakPolarHBondContact O-CD1 3.49Å; Q83-I87 VanDerWaalsContact O-CG1 3.26Å; Q83-I87 WeakPolarHBondContact O-CG1 3.15Å; Q83-I87 PolarHBondContact O-N 3.42Å; G84-I87 PolarHBondContact O-N 3.45Å; I87-W89 PolarHBondContact O-N 2.92Å; I87-A90 PolarHBondContact O-N 3.28Å; I87-I91 HydrophobicContact CG2-CD1 4.06Å; I87-I91 WeakPolarHBondContact O-CG1 3.32Å; I87-I91 PolarHBondContact O-N 3Å
88A95.8Very high90.9Very high44 Ų4495.2 Ų95.236%0.36451%0.505SS..Hα-helixtrans-60-45.4176.700000111.7G84 Q85 I91 V92G84-A88 VanDerWaalsContact O-CB 3.32Å; G84-A88 WeakPolarHBondContact O-CB 3.13Å; G84-A88 PolarHBondContact O-N 3.29Å; Q85-A88 PolarHBondContact O-N 3.42Å; A88-I91 PolarHBondContact O-N 3.38Å; A88-V92 WeakPolarHBondContact O-CG2 3.33Å; A88-V92 PolarHBondContact O-N 3.43Å
89W96.5Very high91.5Very high144 Ų14498.1 Ų98.155%0.54551%0.512SS..Hα-helixtrans-64.1-39.4175.2-93.599000112.9Q85 V86 I87 I91 V92 L93Q85-W89 PolarHBondContact O-N 3Å; V86-W89 PolarHBondContact O-N 3.24Å; I87-W89 PolarHBondContact O-N 2.92Å; W89-I91 VanDerWaalsContact C-N 3.32Å; W89-I91 PolarHBondContact O-N 2.97Å; W89-V92 PolarHBondContact O-N 3.48Å; W89-L93 WeakPolarHBondContact O-CB 3.39Å; W89-L93 VanDerWaalsContact O-CG 3.31Å; W89-L93 WeakPolarHBondContact O-CG 3.3Å; W89-L93 PolarHBondContact O-N 2.86Å
90A96.2Very high91.8Very high48 Ų4896.2 Ų96.240%0.39751%0.51SS..Hα-helixtrans-60.4-42.1174.900000111.6V86 I87 L93 V94V86-A90 WeakPolarHBondContact O-CB 2.9Å; V86-A90 PolarHBondContact O-N 2.85Å; I87-A90 PolarHBondContact O-N 3.28Å; A90-L93 PolarHBondContact O-N 3.37Å; A90-V94 VanDerWaalsContact O-CG2 3.3Å; A90-V94 WeakPolarHBondContact O-CG2 3.34Å; A90-V94 PolarHBondContact O-N 3.07Å
91I96.3Very high91.8Very high99 Ų9991.7 Ų91.751%0.50850%0.5SS..Hα-helixtrans-63.2-46.3176.2-65.6163.8000111I87 A88 W89 L93 V94 L95I87-I91 HydrophobicContact CG2-CD1 4.06Å; I87-I91 WeakPolarHBondContact O-CG1 3.32Å; I87-I91 PolarHBondContact O-N 3Å; A88-I91 PolarHBondContact O-N 3.38Å; W89-I91 VanDerWaalsContact C-N 3.32Å; W89-I91 PolarHBondContact O-N 2.97Å; I91-L93 VanDerWaalsContact C-N 3.32Å; I91-L93 PolarHBondContact O-N 2.88Å; I91-V94 PolarHBondContact O-N 3.28Å; I91-L95 HydrophobicContact CG2-CD1 4.24Å; I91-L95 WeakPolarHBondContact O-CG 3.32Å; I91-L95 PolarHBondContact O-N 2.9Å
92V96.3Very high91.3Very high65 Ų6589.6 Ų89.639%0.39449%0.49SS..Hα-helixtrans-60.1-42.8177.6172.30000111.1A88 W89 V94 L95 I96A88-V92 WeakPolarHBondContact O-CG2 3.33Å; A88-V92 PolarHBondContact O-N 3.43Å; W89-V92 PolarHBondContact O-N 3.48Å; V92-V94 PolarHBondContact O-N 2.82Å; V92-L95 PolarHBondContact O-N 3.44Å; V92-I96 HydrophobicContact CG1-CD1 3.75Å; V92-I96 HydrophobicContact CG1-CG1 4.39Å; V92-I96 VanDerWaalsContact O-CG1 3.3Å; V92-I96 WeakPolarHBondContact O-CG1 3.18Å; V92-I96 PolarHBondContact O-N 3.23Å
93L94.9Very high90.4Very high100 Ų10089.2 Ų89.252%0.52448%0.484SS..Hα-helixtrans-64.9-38.8177.4-72174.8000112.5W89 A90 I91 I96 A97W89-L93 WeakPolarHBondContact O-CB 3.39Å; W89-L93 VanDerWaalsContact O-CG 3.31Å; W89-L93 WeakPolarHBondContact O-CG 3.3Å; W89-L93 PolarHBondContact O-N 2.86Å; A90-L93 PolarHBondContact O-N 3.37Å; I91-L93 VanDerWaalsContact C-N 3.32Å; I91-L93 PolarHBondContact O-N 2.88Å; L93-I96 PolarHBondContact O-N 3.04Å; L93-A97 VanDerWaalsContact O-CB 3.26Å; L93-A97 WeakPolarHBondContact O-CB 3.37Å; L93-A97 PolarHBondContact O-N 2.96Å
94V95.2Very high89.5Confident100 Ų10089.2 Ų89.261%0.60649%0.486SS*.Hα-helixtrans-64.4-41.3174.5172.10000111A90 I91 V92 A97 Y98A90-V94 VanDerWaalsContact O-CG2 3.3Å; A90-V94 WeakPolarHBondContact O-CG2 3.34Å; A90-V94 PolarHBondContact O-N 3.07Å; I91-V94 PolarHBondContact O-N 3.28Å; V92-V94 PolarHBondContact O-N 2.82Å; V94-A97 PolarHBondContact O-N 3.35Å; V94-Y98 WeakPolarHBondContact O-CB 3.28Å; V94-Y98 PolarHBondContact O-N 3.46Å
95L93.7Very high88Confident94 Ų9493.8 Ų93.849%0.49250%0.497SS..Hα-helixtrans-64.6-44.3175.9-69.5173.8000111.9I91 V92 A97 Y98 Y99I91-L95 HydrophobicContact CG2-CD1 4.24Å; I91-L95 WeakPolarHBondContact O-CG 3.32Å; I91-L95 PolarHBondContact O-N 2.9Å; V92-L95 PolarHBondContact O-N 3.44Å; L95-A97 VanDerWaalsContact C-N 3.34Å; L95-Y98 PolarHBondContact O-N 3.33Å; L95-Y99 WeakPolarHBondContact O-CD2 3.48Å; L95-Y99 PolarHBondContact O-N 3.4Å
96I93.3Very high86.2Confident99 Ų9993.3 Ų93.351%0.50850%0.502SS..Hα-helixtrans-61.8-44.7175.8-68.2166.7000110.3V92 L93 Y98 Y99 A100V92-I96 HydrophobicContact CG1-CD1 3.75Å; V92-I96 HydrophobicContact CG1-CG1 4.39Å; V92-I96 VanDerWaalsContact O-CG1 3.3Å; V92-I96 WeakPolarHBondContact O-CG1 3.18Å; V92-I96 PolarHBondContact O-N 3.23Å; L93-I96 PolarHBondContact O-N 3.04Å; I96-Y98 VanDerWaalsContact C-N 3.34Å; I96-Y98 PolarHBondContact O-N 3.11Å; I96-Y99 PolarHBondContact O-N 2.81Å; I96-A100 VanDerWaalsContact O-CB 3.23Å; I96-A100 WeakPolarHBondContact O-CB 3.27Å; I96-A100 PolarHBondContact O-N 3.39Å
97A90.9Very high84.5Confident57 Ų5791.5 Ų91.547%0.47149%0.491SS..Hα-helixtrans-62-41.4177.200000111.6L93 V94 L95 A100 S101L93-A97 VanDerWaalsContact O-CB 3.26Å; L93-A97 WeakPolarHBondContact O-CB 3.37Å; L93-A97 PolarHBondContact O-N 2.96Å; V94-A97 PolarHBondContact O-N 3.35Å; L95-A97 VanDerWaalsContact C-N 3.34Å; A97-A100 PolarHBondContact O-N 3.19Å; A97-S101 WeakPolarHBondContact O-CB 3.19Å; A97-S101 PolarHBondContact O-N 3.09Å; A97-S101 PolarHBondContact O-OG 3.49Å; A97-S101 VanDerWaalsContact O-OG 3.1Å
98Y89.6Confident82.7Confident159 Ų15992.6 Ų92.662%0.62450%0.496SS*.Hα-helixtrans-63.5-46.4176.4-178.7-99.8000112.5V94 L95 I96 S101 A102V94-Y98 WeakPolarHBondContact O-CB 3.28Å; V94-Y98 PolarHBondContact O-N 3.46Å; L95-Y98 PolarHBondContact O-N 3.33Å; I96-Y98 VanDerWaalsContact C-N 3.34Å; I96-Y98 PolarHBondContact O-N 3.11Å; Y98-S101 WeakPolarHBondContact CA-OG 3.26Å; Y98-S101 PolarHBondContact O-N 3.02Å; Y98-S101 PolarHBondContact O-OG 2.87Å; Y98-A102 PolarHBondContact O-N 3.04Å
99Y85.8Confident80.6Confident175 Ų17595.9 Ų95.969%0.68651%0.508SS*.Hα-helixtrans-64.1-40.5174.9-90.7-76.5000112.2L95 I96 A102 K103L95-Y99 WeakPolarHBondContact O-CD2 3.48Å; L95-Y99 PolarHBondContact O-N 3.4Å; I96-Y99 PolarHBondContact O-N 2.81Å; Y99-A102 PolarHBondContact O-N 3.07Å; Y99-K103 WeakPolarHBondContact O-CB 3.23Å; Y99-K103 PolarHBondContact O-N 3.09Å
100A82.5Confident78.5Confident53 Ų5394.9 Ų94.944%0.43850%0.504SS..Hα-helixtrans-66.3-38.3176.300000111.5I96 A97 K103 I104I96-A100 VanDerWaalsContact O-CB 3.23Å; I96-A100 WeakPolarHBondContact O-CB 3.27Å; I96-A100 PolarHBondContact O-N 3.39Å; A97-A100 PolarHBondContact O-N 3.19Å; A100-K103 PolarHBondContact O-N 3.33Å; A100-I104 WeakPolarHBondContact O-CB 3.24Å; A100-I104 PolarHBondContact O-N 2.86Å
101S82.2Confident76.4Confident56 Ų5696.3 Ų96.339%0.39251%0.511SS..Hα-helixtrans-70.4-38.3176.359.30000112.2A97 Y98 K103 I104 E105A97-S101 WeakPolarHBondContact O-CB 3.19Å; A97-S101 PolarHBondContact O-N 3.09Å; A97-S101 PolarHBondContact O-OG 3.49Å; A97-S101 VanDerWaalsContact O-OG 3.1Å; Y98-S101 WeakPolarHBondContact CA-OG 3.26Å; Y98-S101 PolarHBondContact O-N 3.02Å; Y98-S101 PolarHBondContact O-OG 2.87Å; S101-K103 VanDerWaalsContact C-N 3.3Å; S101-K103 PolarHBondContact O-N 2.89Å; S101-I104 WeakPolarHBondContact O-CG2 3.37Å; S101-I104 PolarHBondContact O-N 3.37Å; S101-E105 WeakPolarHBondContact O-CB 3.22Å; S101-E105 PolarHBondContact O-N 2.92Å
102A76.2Confident74.1Confident40 Ų4099.9 Ų99.933%0.33152%0.519SS..Hα-helixtrans-63.5-40.3173.200000111.1Y98 Y99 E105 V106Y98-A102 PolarHBondContact O-N 3.04Å; Y99-A102 PolarHBondContact O-N 3.07Å; A102-E105 PolarHBondContact O-N 3.02Å; A102-V106 VanDerWaalsContact O-CG2 3.31Å; A102-V106 WeakPolarHBondContact O-CG2 3.22Å; A102-V106 PolarHBondContact O-N 3.02Å
103K68.9Low72Confident100 Ų100105.9 Ų105.944%0.43554%0.54SS..Hα-helixtrans-69.3-40.8175.9-168.7175.5-175.8177.70112.3Y99 A100 S101 E105 V106 V107 A131Y99-K103 WeakPolarHBondContact O-CB 3.23Å; Y99-K103 PolarHBondContact O-N 3.09Å; A100-K103 PolarHBondContact O-N 3.33Å; S101-K103 VanDerWaalsContact C-N 3.3Å; S101-K103 PolarHBondContact O-N 2.89Å; K103-E105 VanDerWaalsContact C-N 3.33Å; K103-V106 PolarHBondContact O-N 2.74Å; K103-V107 WeakPolarHBondContact O-CG2 3.44Å; K103-V107 PolarHBondContact O-N 3.45Å; K103-V107 VanDerWaalsContact O-N 3.08Å; K103-A131 PolarHBondContact NZ-O 2.97Å; K103-A131 VanDerWaalsContact NZ-O 3.08Å
104I68.7Low70Confident91 Ų91107.9 Ų107.947%0.46755%0.552SS.*Hα-helixtrans-68.8-35.2176.8-151.178.2000110.5A100 S101 V107 I108A100-I104 WeakPolarHBondContact O-CB 3.24Å; A100-I104 PolarHBondContact O-N 2.86Å; S101-I104 WeakPolarHBondContact O-CG2 3.37Å; S101-I104 PolarHBondContact O-N 3.37Å; I104-V107 CarbonylContact O-C 3.58Å; I104-V107 WeakPolarHBondContact O-CA 3.42Å; I104-V107 PolarHBondContact O-N 2.79Å; I104-I108 HydrophobicContact CB-CD1 4.49Å; I104-I108 HydrophobicContact CG1-CD1 3.63Å; I104-I108 HydrophobicContact CG1-CG1 4.09Å; I104-I108 HydrophobicContact CG2-CD1 4.2Å; I104-I108 VanDerWaalsContact O-CB 3.3Å; I104-I108 WeakPolarHBondContact O-CB 3.12Å; I104-I108 VanDerWaalsContact O-CG1 3.29Å; I104-I108 WeakPolarHBondContact O-CG1 3.3Å; I104-I108 PolarHBondContact O-N 3.49Å
105E61.3Low68.1Low133 Ų133106.5 Ų106.562%0.62155%0.55SS**Hα-helixtrans-62.7-43.7173.4-174.5175.4-174.500110.1S101 A102 K103 V107 I108 D109S101-E105 WeakPolarHBondContact O-CB 3.22Å; S101-E105 PolarHBondContact O-N 2.92Å; A102-E105 PolarHBondContact O-N 3.02Å; K103-E105 VanDerWaalsContact C-N 3.33Å; E105-V107 PolarHBondContact O-N 3.15Å; E105-I108 PolarHBondContact O-N 3.26Å; E105-D109 WeakPolarHBondContact O-CA 3.32Å; E105-D109 WeakPolarHBondContact O-CB 3.47Å; E105-D109 PolarHBondContact O-N 2.86Å
106V56.3Low66.2Low104 Ų104106.2 Ų106.263%0.6355%0.554SS**Hα-helixtrans-60.2-30.1171.7171.60000112.6A102 K103A102-V106 VanDerWaalsContact O-CG2 3.31Å; A102-V106 WeakPolarHBondContact O-CG2 3.22Å; A102-V106 PolarHBondContact O-N 3.02Å; K103-V106 PolarHBondContact O-N 2.74Å
107V59.3Low64.7Low58 Ų58107.3 Ų107.335%0.35256%0.555SS.*Hα-helixtrans-84-35.4177.9174.30000112.6K103 I104 E105 R110K103-V107 WeakPolarHBondContact O-CG2 3.44Å; K103-V107 PolarHBondContact O-N 3.45Å; K103-V107 VanDerWaalsContact O-N 3.08Å; I104-V107 CarbonylContact O-C 3.58Å; I104-V107 WeakPolarHBondContact O-CA 3.42Å; I104-V107 PolarHBondContact O-N 2.79Å; E105-V107 PolarHBondContact O-N 3.15Å; V107-R110 WeakPolarHBondContact O-CG 3.09Å
108I57.4Low63.5Low125 Ų125106 Ų10664%0.64154%0.542SS*.Hα-helixtrans-85.2-30.3-177.7-69.3173000111.2I104 E105 R110I104-I108 HydrophobicContact CB-CD1 4.49Å; I104-I108 HydrophobicContact CG1-CD1 3.63Å; I104-I108 HydrophobicContact CG1-CG1 4.09Å; I104-I108 HydrophobicContact CG2-CD1 4.2Å; I104-I108 VanDerWaalsContact O-CB 3.3Å; I104-I108 WeakPolarHBondContact O-CB 3.12Å; I104-I108 VanDerWaalsContact O-CG1 3.29Å; I104-I108 WeakPolarHBondContact O-CG1 3.3Å; I104-I108 PolarHBondContact O-N 3.49Å; E105-I108 PolarHBondContact O-N 3.26Å; I108-R110 PolarHBondContact O-N 3.15Å
109D51.3Low62.7Low114 Ų114100.8 Ų100.861%0.6152%0.521SS*.  trans-68.731.1169.1-164.235.2000112.4E105 S111E105-D109 WeakPolarHBondContact O-CA 3.32Å; E105-D109 WeakPolarHBondContact O-CB 3.47Å; E105-D109 PolarHBondContact O-N 2.86Å; D109-S111 PolarHBondContact O-N 2.89Å; D109-S111 VanDerWaalsContact OD1-CB 3.26Å; D109-S111 WeakPolarHBondContact OD1-CB 3.2Å
110R51.5Low61.9Low123 Ų12395.9 Ų95.946%0.46452%0.517SS..  trans-60.739.3144.4-75.8-178.3178.7-171.20.4111.8V107 I108 Y112V107-R110 WeakPolarHBondContact O-CG 3.09Å; I108-R110 PolarHBondContact O-N 3.15Å; R110-Y112 VanDerWaalsContact C-N 3.29Å; R110-Y112 HydrophobicContact CB-CE2 4.45Å; R110-Y112 WeakPolarHBondContact O-CD2 3.5Å; R110-Y112 WeakPolarHBondContact O-CE2 2.91Å; R110-Y112 PolarHBondContact O-N 3.24Å
111S53.2Low61.2Low77 Ų7796.9 Ų96.954%0.53852%0.517SS..  trans-52.2101.5152.81720000106.8D109 K113D109-S111 PolarHBondContact O-N 2.89Å; D109-S111 VanDerWaalsContact OD1-CB 3.26Å; D109-S111 WeakPolarHBondContact OD1-CB 3.2Å; S111-K113 PolarHBondContact O-N 3.4Å
112Y46.9Very low60.6Low175 Ų17596.2 Ų96.269%0.68651%0.509SS*.THydrogen-bonded Turntrans-6859.8-170.1-78.3-91.2000112.9R110R110-Y112 VanDerWaalsContact C-N 3.29Å; R110-Y112 HydrophobicContact CB-CE2 4.45Å; R110-Y112 WeakPolarHBondContact O-CD2 3.5Å; R110-Y112 WeakPolarHBondContact O-CE2 2.91Å; R110-Y112 PolarHBondContact O-N 3.24Å
113K54Low60.3Low190 Ų19098.1 Ų98.183%0.82651%0.509SS*.THydrogen-bonded Turntrans-93.7-31.2158.8-86.5-173.1177.1179.80112.1S111S111-K113 PolarHBondContact O-N 3.4Å
114N51.7Low60.2Low143 Ų143100.1 Ų100.177%0.76553%0.525SS*.SBendtrans-86.4131.1175-63.1-36.6000108.5
115A55.1Low59.9Low70 Ų70100.7 Ų100.758%0.57952%0.521SS*.  trans-38146.1-166.500000115F117A115-F117 PolarHBondContact O-N 2.84Å
116P55.1Low59.8Low88 Ų8898.8 Ų98.857%0.57152%0.516SS*.  trans-49.8145.1178.122.9-34.2000110T118P116-T118 VanDerWaalsContact C-N 3.34Å; P116-T118 HydrophobicContact CG-CG2 4.43Å; P116-T118 WeakPolarHBondContact O-CB 3.04Å; P116-T118 WeakPolarHBondContact O-CG2 3.42Å; P116-T118 PolarHBondContact O-N 3.26Å; P116-T118 PolarHBondContact O-OG1 2.94Å
117F60.1Low59.7Low122 Ų122105.3 Ų105.354%0.53553%0.529SS..SBendtrans-3996.5171.6-174.2-108000110.4A115 M122A115-F117 PolarHBondContact O-N 2.84Å; F117-M122 HydrophobicContact CD1-SD 3.77Å; F117-M122 HydrophobicContact CD2-CG 4.15Å; F117-M122 HydrophobicContact CD2-SD 4.11Å; F117-M122 HydrophobicContact CE1-CE 3.62Å; F117-M122 HydrophobicContact CE1-CG 4.4Å; F117-M122 HydrophobicContact CE1-SD 3.18Å; F117-M122 WeakPolarHBondContact CE1-SD 3.32Å; F117-M122 HydrophobicContact CE2-CE 3.58Å; F117-M122 HydrophobicContact CE2-CG 3.82Å; F117-M122 HydrophobicContact CE2-SD 3.57Å; F117-M122 VanDerWaalsContact CE2-SD 3.57Å; F117-M122 HydrophobicContact CG-SD 4.23Å; F117-M122 HydrophobicContact CZ-CE 3Å; F117-M122 HydrophobicContact CZ-CG 4.02Å; F117-M122 HydrophobicContact CZ-SD 3.12Å; F117-M122 WeakPolarHBondContact CZ-SD 3.45Å
118T66.9Low59.4Low31 Ų31110.1 Ų110.119%0.1955%0.548CS..  trans-112.3141.2-173.343.50000107.5P116 A120 T121 M122P116-T118 VanDerWaalsContact C-N 3.34Å; P116-T118 HydrophobicContact CG-CG2 4.43Å; P116-T118 WeakPolarHBondContact O-CB 3.04Å; P116-T118 WeakPolarHBondContact O-CG2 3.42Å; P116-T118 PolarHBondContact O-N 3.26Å; P116-T118 PolarHBondContact O-OG1 2.94Å; T118-A120 PolarHBondContact O-N 3.43Å; T118-T121 PolarHBondContact N-OG1 2.76Å; T118-T121 PolarHBondContact O-N 2.87Å; T118-T121 PolarHBondContact O-OG1 3.43Å; T118-T121 PolarHBondContact OG1-OG1 3.12Å; T118-M122 PolarHBondContact O-N 2.82Å; T118-M122 VanDerWaalsContact O-N 3.1Å
119W71.8Confident59Low48 Ų48109.2 Ų109.218%0.18254%0.537CS..Hα-helixtrans-44.7-40.8173.6177.7-114.6000113.3T121 M122 K123 E147 Q150 I154W119-T121 VanDerWaalsContact C-N 3.33Å; W119-T121 PolarHBondContact O-N 3.33Å; W119-M122 PolarHBondContact O-N 3.44Å; W119-K123 WeakPolarHBondContact O-CB 3.27Å; W119-K123 PolarHBondContact O-N 3.43Å; W119-E147 HydrophobicContact CZ2-CB 4.08Å; W119-E147 HydrophobicContact CZ2-CG 3.89Å; W119-Q150 HydrophobicContact CD2-CB 4.38Å; W119-Q150 HydrophobicContact CZ2-CB 4.33Å; W119-I154 HydrophobicContact CB-CD1 3.45Å; W119-I154 VanDerWaalsContact CB-CD1 3.45Å; W119-I154 HydrophobicContact CG-CD1 3.6Å
120A70.4Confident59.2Low73 Ų73106.1 Ų106.160%0.60352%0.522SS*.Hα-helixtrans-59.3-38.5177.400000113.5T118T118-A120 PolarHBondContact O-N 3.43Å
121T67.9Low59.3Low73 Ų73103.1 Ų103.145%0.44852%0.524SS..Hα-helixtrans-81-27.7177.860.10000112.6T118 W119 R125T118-T121 PolarHBondContact N-OG1 2.76Å; T118-T121 PolarHBondContact O-N 2.87Å; T118-T121 PolarHBondContact O-OG1 3.43Å; T118-T121 PolarHBondContact OG1-OG1 3.12Å; W119-T121 VanDerWaalsContact C-N 3.33Å; W119-T121 PolarHBondContact O-N 3.33Å; T121-R125 WeakPolarHBondContact O-CB 3.35Å; T121-R125 PolarHBondContact O-N 3.49Å
122M69.7Low59.3Low43 Ų43108.1 Ų108.121%0.21254%0.536CS..Hα-helixtrans-73.3-43.5175.2-67.4-178.582.500112.6F117 T118 W119 D124 R125 D126F117-M122 HydrophobicContact CD1-SD 3.77Å; F117-M122 HydrophobicContact CD2-CG 4.15Å; F117-M122 HydrophobicContact CD2-SD 4.11Å; F117-M122 HydrophobicContact CE1-CE 3.62Å; F117-M122 HydrophobicContact CE1-CG 4.4Å; F117-M122 HydrophobicContact CE1-SD 3.18Å; F117-M122 WeakPolarHBondContact CE1-SD 3.32Å; F117-M122 HydrophobicContact CE2-CE 3.58Å; F117-M122 HydrophobicContact CE2-CG 3.82Å; F117-M122 HydrophobicContact CE2-SD 3.57Å; F117-M122 VanDerWaalsContact CE2-SD 3.57Å; F117-M122 HydrophobicContact CG-SD 4.23Å; F117-M122 HydrophobicContact CZ-CE 3Å; F117-M122 HydrophobicContact CZ-CG 4.02Å; F117-M122 HydrophobicContact CZ-SD 3.12Å; F117-M122 WeakPolarHBondContact CZ-SD 3.45Å; T118-M122 PolarHBondContact O-N 2.82Å; T118-M122 VanDerWaalsContact O-N 3.1Å; W119-M122 PolarHBondContact O-N 3.44Å; M122-D124 PolarHBondContact O-N 2.92Å; M122-R125 PolarHBondContact O-N 2.82Å; M122-D126 PolarHBondContact O-N 2.73Å; M122-D126 VanDerWaalsContact O-N 3.16Å
123K69.4Low59.8Low79 Ų79103.2 Ų103.234%0.34354%0.539SS..Hα-helixtrans-49.7-37.8179.6171171.3-179.6141.80112.2W119 R142 E147 E151W119-K123 WeakPolarHBondContact O-CB 3.27Å; W119-K123 PolarHBondContact O-N 3.43Å; K123-R142 PolarHBondContact O-NH1 2.72Å; K123-E147 WeakPolarHBondContact CD-OE1 3.27Å; K123-E147 WeakPolarHBondContact CE-OE1 3.22Å; K123-E147 WeakPolarHBondContact CG-OE1 3.48Å; K123-E147 IonicContact NZ-OE1 3.49Å; K123-E147 PolarHBondContact NZ-OE1 3.08Å; K123-E151 IonicContact NZ-OE1 2.72Å; K123-E151 PolarHBondContact NZ-OE1 2.9Å
124D67.3Low59.6Low142 Ų142101.9 Ų101.976%0.75953%0.533SS*.Hα-helixtrans-86.7-33.1-179.3-155.233.9000112.7M122M122-D124 PolarHBondContact O-N 2.92Å
125R61.8Low59.9Low103 Ų103102.7 Ų102.739%0.38953%0.532SS..Hα-helixtrans-83.6-21.9-170.5-160.1178.387.3155.415.2115.4T121 M122 R127 E128 Y129T121-R125 WeakPolarHBondContact O-CB 3.35Å; T121-R125 PolarHBondContact O-N 3.49Å; M122-R125 PolarHBondContact O-N 2.82Å; R125-R127 PolarHBondContact O-N 2.87Å; R125-E128 PolarHBondContact O-N 3.33Å; R125-E128 VanDerWaalsContact O-N 3.12Å; R125-Y129 HydrophobicContact CG-CD2 4.43Å
126D58.4Low60Low94 Ų94102.2 Ų102.250%0.50352%0.523SS..THydrogen-bonded Turntrans-65.9-6-170-77.4-14.8000115.1M122 E128M122-D126 PolarHBondContact O-N 2.73Å; M122-D126 VanDerWaalsContact O-N 3.16Å; D126-E128 VanDerWaalsContact C-N 3.34Å
127R54.1Low60.1Low240 Ų240104.2 Ų104.291%0.90653%0.534SS*.THydrogen-bonded Turntrans-73-23.6171.6-68.1-171.6-179.1-159.11.3113.7R125R125-R127 PolarHBondContact O-N 2.87Å
128E53.9Low60Low160 Ų160104 Ų10475%0.74855%0.545SS*.THydrogen-bonded Turntrans-99.7-21.7-168.2-64.2-179.3173.300114.1R125 D126 V130R125-E128 PolarHBondContact O-N 3.33Å; R125-E128 VanDerWaalsContact O-N 3.12Å; D126-E128 VanDerWaalsContact C-N 3.34Å; E128-V130 PolarHBondContact O-N 2.87Å
129Y49.6Very low59.7Low105 Ų105106.4 Ų106.441%0.41257%0.568SS.*  trans-95.775.2-172.8-91.2-92.6000112.5R125R125-Y129 HydrophobicContact CG-CD2 4.43Å
130V53.7Low59.3Low49 Ų49111 Ų11130%0.29760%0.595SS.*  trans-92.8117.4146.2-172.90000108.1E128 F132 G133 F134 P136E128-V130 PolarHBondContact O-N 2.87Å; V130-F132 PolarHBondContact O-N 3.47Å; V130-G133 PolarHBondContact O-N 3.46Å; V130-F134 WeakPolarHBondContact CB-O 3.36Å; V130-F134 HydrophobicContact CG1-CB 3.9Å; V130-F134 VanDerWaalsContact CG1-O 3.23Å; V130-F134 WeakPolarHBondContact CG1-O 3.47Å; V130-F134 WeakPolarHBondContact CG2-O 3.37Å; V130-P136 HydrophobicContact CG2-CG 3.81Å
131A54Low59.1Low61 Ų61112.3 Ų112.350%0.50460%0.6SS.*THydrogen-bonded Turntrans-49.5-25.7-178.800000112.9K103K103-A131 PolarHBondContact NZ-O 2.97Å; K103-A131 VanDerWaalsContact NZ-O 3.08Å
132F54.3Low59.1Low181 Ų181114.7 Ų114.779%0.79460%0.601SS**THydrogen-bonded Turntrans-12639.8-176.1-61.8-74.9000114.3V130 F134V130-F132 PolarHBondContact O-N 3.47Å; F132-F134 PolarHBondContact O-N 2.8Å
133G55.9Low59.5Low73 Ų73118.4 Ų118.475%0.75362%0.621SS**SBendtrans54.416170.300000115.2V130 E135V130-G133 PolarHBondContact O-N 3.46Å; G133-E135 PolarHBondContact O-N 3.09Å
134F51.5Low60.1Low162 Ų162120.4 Ų120.471%0.71164%0.635SS**  trans-9882.8-174.3-146.3-84.4000104.5V130 F132 P136V130-F134 WeakPolarHBondContact CB-O 3.36Å; V130-F134 HydrophobicContact CG1-CB 3.9Å; V130-F134 VanDerWaalsContact CG1-O 3.23Å; V130-F134 WeakPolarHBondContact CG1-O 3.47Å; V130-F134 WeakPolarHBondContact CG2-O 3.37Å; F132-F134 PolarHBondContact O-N 2.8Å; F134-P136 WeakPolarHBondContact O-CD 3.4Å
135E57.7Low60.8Low159 Ų159119.8 Ų119.874%0.74363%0.631SS**  trans-53.5111.6170.5-73.9-179.3179.600107G133 T137G133-E135 PolarHBondContact O-N 3.09Å; E135-T137 VanDerWaalsContact C-N 3.31Å; E135-T137 PolarHBondContact O-N 2.82Å; E135-T137 PolarHBondContact O-OG1 2.85Å
136P56.2Low61.7Low60 Ų60119 Ų11939%0.3963%0.633SS.*  trans-67.7104.7-179.4-7.325000103.8V130 F134 P138 A139V130-P136 HydrophobicContact CG2-CG 3.81Å; F134-P136 WeakPolarHBondContact O-CD 3.4Å; P136-P138 CarbonylContact C-O 3.5Å; P136-P138 CarbonylContact O-C 3.48Å; P136-P138 VanDerWaalsContact O-O 3.09Å; P136-A139 WeakPolarHBondContact O-CA 3.48Å; P136-A139 PolarHBondContact O-N 3.31Å
137T57.4Low62.9Low130 Ų130115.5 Ų115.580%0.79861%0.613SS**SBendtrans-100.7110.5172.8-48.80000105.6E135E135-T137 VanDerWaalsContact C-N 3.31Å; E135-T137 PolarHBondContact O-N 2.82Å; E135-T137 PolarHBondContact O-OG1 2.85Å
138P57.7Low64.5Low117 Ų117106.9 Ų106.976%0.7659%0.587SS**SBendcis-83.9153.43.433.5-33.5000113.7P136 I140P136-P138 CarbonylContact C-O 3.5Å; P136-P138 CarbonylContact O-C 3.48Å; P136-P138 VanDerWaalsContact O-O 3.09Å; P138-I140 PolarHBondContact O-N 3.42Å
139A62Low66.2Low83 Ų83103.2 Ų103.269%0.68657%0.573SS**PPolyproline II helixtrans-54.3132.9176.500000109.8P136 S141P136-A139 WeakPolarHBondContact O-CA 3.48Å; P136-A139 PolarHBondContact O-N 3.31Å; A139-S141 PolarHBondContact O-N 2.87Å; A139-S141 VanDerWaalsContact O-N 3.08Å
140I63.5Low68Low145 Ų145102.1 Ų102.174%0.74457%0.571SS**PPolyproline II helixtrans-55120.5177.1-59.2169.2000107.6P138 R142P138-I140 PolarHBondContact O-N 3.42Å; I140-R142 PolarHBondContact O-N 2.78Å; I140-R142 VanDerWaalsContact O-N 3.15Å
141S66.2Low69.6Low100 Ų100103.8 Ų103.870%0.69958%0.576SS**PPolyproline II helixtrans-61.5118.6178.555.70000109.1A139A139-S141 PolarHBondContact O-N 2.87Å; A139-S141 VanDerWaalsContact O-N 3.08Å
142R66.1Low71.4Confident123 Ų123106.1 Ų106.146%0.46458%0.576SS.*PPolyproline II helixtrans-63.6138.3175-65.3-179.770.2167.3-0.4109.3K123 I140 D144 E147K123-R142 PolarHBondContact O-NH1 2.72Å; I140-R142 PolarHBondContact O-N 2.78Å; I140-R142 VanDerWaalsContact O-N 3.15Å; R142-D144 PolarHBondContact O-N 2.57Å; R142-D144 VanDerWaalsContact O-N 3.15Å; R142-E147 IonicContact CZ-OE1 2.8Å; R142-E147 IonicContact CZ-OE2 2.93Å; R142-E147 IonicContact NE-OE2 2.66Å; R142-E147 PolarHBondContact NE-OE2 2.76Å; R142-E147 IonicContact NH1-OE1 3.66Å; R142-E147 IonicContact NH2-OE1 3.93Å; R142-E147 PolarHBondContact NH2-OE1 3.46Å; R142-E147 IonicContact NH2-OE2 3.2Å; R142-E147 PolarHBondContact NH2-OE2 3.41Å
143L78.7Confident73Confident121 Ų121103.5 Ų103.563%0.63457%0.568SS**  trans-76.297.4168.9-103.175.8000108.5L145 M146 E147L143-L145 PolarHBondContact O-N 2.87Å; L143-M146 HydrophobicContact CB-CB 4.14Å; L143-M146 HydrophobicContact CB-CG 3.98Å; L143-M146 HydrophobicContact CD2-CG 3.81Å; L143-M146 PolarHBondContact O-N 3.17Å; L143-M146 VanDerWaalsContact O-N 3.1Å; L143-E147 PolarHBondContact O-N 2.89Å
144D81.6Confident74.5Confident120 Ų120101.4 Ų101.464%0.64254%0.539SS*.Hα-helixtrans-51.6-43.5179.2-166.943.2000112.1R142 M146 E147 T148R142-D144 PolarHBondContact O-N 2.57Å; R142-D144 VanDerWaalsContact O-N 3.15Å; D144-M146 VanDerWaalsContact C-N 3.34Å; D144-M146 PolarHBondContact O-N 3.41Å; D144-E147 WeakPolarHBondContact O-CB 3.47Å; D144-E147 PolarHBondContact O-N 3.19Å; D144-E147 VanDerWaalsContact O-N 3.17Å; D144-T148 PolarHBondContact O-N 3.23Å; D144-T148 PolarHBondContact O-OG1 2.93Å; D144-T148 VanDerWaalsContact O-OG1 3.11Å
145L83Confident76.3Confident130 Ų13097.7 Ų97.768%0.68152%0.524SS*.Hα-helixtrans-58.9-39.7179.1-174.968.5000113.8L143 E147 L149L143-L145 PolarHBondContact O-N 2.87Å; L145-E147 VanDerWaalsContact C-N 3.32Å; L145-L149 WeakPolarHBondContact O-CB 3.32Å; L145-L149 PolarHBondContact O-N 2.78Å; L145-L149 VanDerWaalsContact O-N 3.14Å
146M80.7Confident77.8Confident87 Ų8793.9 Ų93.943%0.42951%0.506SS..Hα-helixtrans-72.6-32.2-178.3-69.3-67.79900111.5L143 D144 L149 Q150L143-M146 HydrophobicContact CB-CB 4.14Å; L143-M146 HydrophobicContact CB-CG 3.98Å; L143-M146 HydrophobicContact CD2-CG 3.81Å; L143-M146 PolarHBondContact O-N 3.17Å; L143-M146 VanDerWaalsContact O-N 3.1Å; D144-M146 VanDerWaalsContact C-N 3.34Å; D144-M146 PolarHBondContact O-N 3.41Å; M146-L149 HydrophobicContact CE-CD2 4.27Å; M146-Q150 WeakPolarHBondContact O-CG 3.35Å; M146-Q150 PolarHBondContact O-N 3.17Å
147E82.7Confident79.3Confident19 Ų1992 Ų929%0.08950%0.496CS..Hα-helixtrans-70.1-45.3176.4170.3154.6-150.700111.5W119 K123 R142 L143 D144 L145 L149 Q150 E151W119-E147 HydrophobicContact CZ2-CB 4.08Å; W119-E147 HydrophobicContact CZ2-CG 3.89Å; K123-E147 WeakPolarHBondContact CD-OE1 3.27Å; K123-E147 WeakPolarHBondContact CE-OE1 3.22Å; K123-E147 WeakPolarHBondContact CG-OE1 3.48Å; K123-E147 IonicContact NZ-OE1 3.49Å; K123-E147 PolarHBondContact NZ-OE1 3.08Å; R142-E147 IonicContact CZ-OE1 2.8Å; R142-E147 IonicContact CZ-OE2 2.93Å; R142-E147 IonicContact NE-OE2 2.66Å; R142-E147 PolarHBondContact NE-OE2 2.76Å; R142-E147 IonicContact NH1-OE1 3.66Å; R142-E147 IonicContact NH2-OE1 3.93Å; R142-E147 PolarHBondContact NH2-OE1 3.46Å; R142-E147 IonicContact NH2-OE2 3.2Å; R142-E147 PolarHBondContact NH2-OE2 3.41Å; L143-E147 PolarHBondContact O-N 2.89Å; D144-E147 WeakPolarHBondContact O-CB 3.47Å; D144-E147 PolarHBondContact O-N 3.19Å; D144-E147 VanDerWaalsContact O-N 3.17Å; L145-E147 VanDerWaalsContact C-N 3.32Å; E147-L149 VanDerWaalsContact C-N 3.32Å; E147-L149 PolarHBondContact O-N 3.4Å; E147-Q150 PolarHBondContact O-N 2.87Å; E147-E151 WeakPolarHBondContact O-CG 3.41Å; E147-E151 PolarHBondContact O-N 2.99Å
148T87.9Confident80.7Confident59 Ų5992.8 Ų92.836%0.36248%0.484SS..Hα-helixtrans-58.3-45.8173.9-46.70000111.3D144 Q150 E151 E152D144-T148 PolarHBondContact O-N 3.23Å; D144-T148 PolarHBondContact O-OG1 2.93Å; D144-T148 VanDerWaalsContact O-OG1 3.11Å; T148-Q150 VanDerWaalsContact C-N 3.33Å; T148-Q150 PolarHBondContact O-N 3.49Å; T148-E151 WeakPolarHBondContact O-CB 3.43Å; T148-E151 PolarHBondContact O-N 2.8Å; T148-E151 VanDerWaalsContact O-N 3.15Å; T148-E152 PolarHBondContact O-N 3.41Å
149L89.4Confident82.1Confident84 Ų8495.1 Ų95.144%0.4448%0.478SS..Hα-helixtrans-62.2-39.7179-174.467000112.2L145 M146 E147 E151 E152 M153L145-L149 WeakPolarHBondContact O-CB 3.32Å; L145-L149 PolarHBondContact O-N 2.78Å; L145-L149 VanDerWaalsContact O-N 3.14Å; M146-L149 HydrophobicContact CE-CD2 4.27Å; E147-L149 VanDerWaalsContact C-N 3.32Å; E147-L149 PolarHBondContact O-N 3.4Å; L149-E151 VanDerWaalsContact C-N 3.34Å; L149-E152 PolarHBondContact O-N 3.46Å; L149-M153 WeakPolarHBondContact O-CG 3.5Å; L149-M153 PolarHBondContact O-N 2.94Å
150Q87.8Confident83.3Confident82 Ų82100.2 Ų100.238%0.38348%0.48SS..Hα-helixtrans-66-37175.6-82175-44.300112.2W119 M146 E147 T148 I154W119-Q150 HydrophobicContact CD2-CB 4.38Å; W119-Q150 HydrophobicContact CZ2-CB 4.33Å; M146-Q150 WeakPolarHBondContact O-CG 3.35Å; M146-Q150 PolarHBondContact O-N 3.17Å; E147-Q150 PolarHBondContact O-N 2.87Å; T148-Q150 VanDerWaalsContact C-N 3.33Å; T148-Q150 PolarHBondContact O-N 3.49Å; Q150-I154 WeakPolarHBondContact O-CB 3.47Å; Q150-I154 VanDerWaalsContact O-CD1 3.32Å; Q150-I154 WeakPolarHBondContact O-CD1 3.47Å; Q150-I154 WeakPolarHBondContact O-CG1 3.47Å; Q150-I154 PolarHBondContact O-N 2.95Å
151E88.4Confident84.3Confident83 Ų8396.2 Ų96.239%0.38847%0.474SS..Hα-helixtrans-64.6-45.4175.1-71.8179175.200111.8K123 E147 T148 L149 M153 I154 E155K123-E151 IonicContact NZ-OE1 2.72Å; K123-E151 PolarHBondContact NZ-OE1 2.9Å; E147-E151 WeakPolarHBondContact O-CG 3.41Å; E147-E151 PolarHBondContact O-N 2.99Å; T148-E151 WeakPolarHBondContact O-CB 3.43Å; T148-E151 PolarHBondContact O-N 2.8Å; T148-E151 VanDerWaalsContact O-N 3.15Å; L149-E151 VanDerWaalsContact C-N 3.34Å; E151-M153 PolarHBondContact O-N 3.19Å; E151-I154 PolarHBondContact O-N 2.84Å; E151-E155 PolarHBondContact O-N 3.19Å
152E91Very high85Confident111 Ų11196.7 Ų96.752%0.51947%0.473SS..Hα-helixtrans-60.2-45.5175.6-71.2-179.2175.400111.8T148 L149 I154 E155 E156T148-E152 PolarHBondContact O-N 3.41Å; L149-E152 PolarHBondContact O-N 3.46Å; E152-I154 VanDerWaalsContact C-N 3.28Å; E152-I154 PolarHBondContact O-N 3.46Å; E152-E155 PolarHBondContact O-N 3.34Å; E152-E156 WeakPolarHBondContact O-CB 3.24Å; E152-E156 WeakPolarHBondContact O-CG 3.22Å; E152-E156 PolarHBondContact O-N 3.49Å
153M88.7Confident85.1Confident125 Ų12595.2 Ų95.262%0.61647%0.468SS*.Hα-helixtrans-62.3-35.9177.1-73.8-176.169.500112.5L149 E151 A157L149-M153 WeakPolarHBondContact O-CG 3.5Å; L149-M153 PolarHBondContact O-N 2.94Å; E151-M153 PolarHBondContact O-N 3.19Å; M153-A157 VanDerWaalsContact O-CB 3.26Å; M153-A157 WeakPolarHBondContact O-CB 3.22Å; M153-A157 PolarHBondContact O-N 3.32Å
154I86.6Confident84.3Confident29 Ų29101.8 Ų101.815%0.14949%0.491CS..Hα-helixtrans-71.3-40.4177.2-69.8165.8000110.7W119 Q150 E151 E152 A157 R158W119-I154 HydrophobicContact CB-CD1 3.45Å; W119-I154 VanDerWaalsContact CB-CD1 3.45Å; W119-I154 HydrophobicContact CG-CD1 3.6Å; Q150-I154 WeakPolarHBondContact O-CB 3.47Å; Q150-I154 VanDerWaalsContact O-CD1 3.32Å; Q150-I154 WeakPolarHBondContact O-CD1 3.47Å; Q150-I154 WeakPolarHBondContact O-CG1 3.47Å; Q150-I154 PolarHBondContact O-N 2.95Å; E151-I154 PolarHBondContact O-N 2.84Å; E152-I154 VanDerWaalsContact C-N 3.28Å; E152-I154 PolarHBondContact O-N 3.46Å; I154-A157 PolarHBondContact O-N 2.98Å; I154-R158 WeakPolarHBondContact O-CB 3.47Å; I154-R158 PolarHBondContact O-N 3.25Å
155E88.9Confident84.5Confident85 Ų85100.9 Ų100.940%0.39748%0.483SS..Hα-helixtrans-63-45.4175.4-167-175.7160.500110.9E151 E152 A157 R158 R159E151-E155 PolarHBondContact O-N 3.19Å; E152-E155 PolarHBondContact O-N 3.34Å; E155-A157 VanDerWaalsContact C-N 3.35Å; E155-A157 PolarHBondContact O-N 3.3Å; E155-R158 WeakPolarHBondContact O-CB 3.45Å; E155-R158 PolarHBondContact O-N 2.93Å; E155-R158 VanDerWaalsContact O-N 3.13Å; E155-R159 WeakPolarHBondContact O-CG 3.32Å; E155-R159 PolarHBondContact O-N 3.05Å; E155-R159 IonicContact OE1-CZ 3.53Å; E155-R159 IonicContact OE1-NE 3.84Å; E155-R159 PolarHBondContact OE1-NE 2.9Å; E155-R159 IonicContact OE1-NH2 2.73Å; E155-R159 PolarHBondContact OE1-NH2 3.48Å
156E90.2Very high84.6Confident78 Ų7899.3 Ų99.336%0.36447%0.473SS..Hα-helixtrans-62.6-40.3175-74.5-60140.300112.1E152 R158 R159 R160E152-E156 WeakPolarHBondContact O-CB 3.24Å; E152-E156 WeakPolarHBondContact O-CG 3.22Å; E152-E156 PolarHBondContact O-N 3.49Å; E156-R158 VanDerWaalsContact C-N 3.29Å; E156-R158 PolarHBondContact O-N 3.49Å; E156-R159 PolarHBondContact O-N 3.29Å; E156-R159 IonicContact OE1-CZ 3.49Å; E156-R159 IonicContact OE1-NE 3.16Å; E156-R159 IonicContact OE1-NH1 2.75Å; E156-R159 PolarHBondContact OE1-NH1 2.96Å; E156-R160 VanDerWaalsContact O-CG 3.29Å; E156-R160 WeakPolarHBondContact O-CG 2.95Å; E156-R160 PolarHBondContact O-N 3.42Å
157A86.4Confident84.8Confident22 Ų22100 Ų10018%0.18248%0.475CS..Hα-helixtrans-64.1-34.1174.300000112.6M153 I154 E155 G161 T162 R163M153-A157 VanDerWaalsContact O-CB 3.26Å; M153-A157 WeakPolarHBondContact O-CB 3.22Å; M153-A157 PolarHBondContact O-N 3.32Å; I154-A157 PolarHBondContact O-N 2.98Å; E155-A157 VanDerWaalsContact C-N 3.35Å; E155-A157 PolarHBondContact O-N 3.3Å; A157-G161 PolarHBondContact O-N 3.45Å; A157-T162 WeakPolarHBondContact CA-OG1 3.25Å; A157-T162 PolarHBondContact O-N 3.47Å; A157-T162 VanDerWaalsContact O-N 3.07Å; A157-T162 PolarHBondContact O-OG1 3.18Å; A157-R163 HydrophobicContact CB-CB 4.24Å; A157-R163 PolarHBondContact O-N 3.44Å
158R86.5Confident84.9Confident145 Ų145104.8 Ų104.855%0.54750%0.498SS..Hα-helixtrans-69.3-43.6173.7-171.1-174.5-65126.8-0.7111.1I154 E155 E156 R160 G161I154-R158 WeakPolarHBondContact O-CB 3.47Å; I154-R158 PolarHBondContact O-N 3.25Å; E155-R158 WeakPolarHBondContact O-CB 3.45Å; E155-R158 PolarHBondContact O-N 2.93Å; E155-R158 VanDerWaalsContact O-N 3.13Å; E156-R158 VanDerWaalsContact C-N 3.29Å; E156-R158 PolarHBondContact O-N 3.49Å; R158-R160 VanDerWaalsContact C-N 3.26Å; R158-R160 PolarHBondContact O-N 3.09Å; R158-G161 PolarHBondContact O-N 3.3Å
159R87.8Confident84.7Confident166 Ų166107.6 Ų107.663%0.62651%0.507SS*.Hα-helixtrans-58.5-38.6174.2-70.9176-175.4-177.9-1.3111.9E155 E156 G161E155-R159 WeakPolarHBondContact O-CG 3.32Å; E155-R159 PolarHBondContact O-N 3.05Å; E155-R159 IonicContact OE1-CZ 3.53Å; E155-R159 IonicContact OE1-NE 3.84Å; E155-R159 PolarHBondContact OE1-NE 2.9Å; E155-R159 IonicContact OE1-NH2 2.73Å; E155-R159 PolarHBondContact OE1-NH2 3.48Å; E156-R159 PolarHBondContact O-N 3.29Å; E156-R159 IonicContact OE1-CZ 3.49Å; E156-R159 IonicContact OE1-NE 3.16Å; E156-R159 IonicContact OE1-NH1 2.75Å; E156-R159 PolarHBondContact OE1-NH1 2.96Å; R159-G161 PolarHBondContact O-N 3.24Å
160R87.8Confident84.4Confident191 Ų191109.2 Ų109.272%0.72151%0.511SS*.THydrogen-bonded Turntrans-74.8-7176.4-67.7173.9-173.1-148.11.6114.1E156 R158 T162E156-R160 VanDerWaalsContact O-CG 3.29Å; E156-R160 WeakPolarHBondContact O-CG 2.95Å; E156-R160 PolarHBondContact O-N 3.42Å; R158-R160 VanDerWaalsContact C-N 3.26Å; R158-R160 PolarHBondContact O-N 3.09Å; R160-T162 HydrophobicContact CB-CG2 4.14Å; R160-T162 PolarHBondContact O-N 3.47Å
161G84.6Confident84.1Confident61 Ų61111.1 Ų111.163%0.62952%0.52SS*.THydrogen-bonded Turntrans68.78.8-175.100000114.4A157 R158 R159 R163A157-G161 PolarHBondContact O-N 3.45Å; R158-G161 PolarHBondContact O-N 3.3Å; R159-G161 PolarHBondContact O-N 3.24Å; G161-R163 VanDerWaalsContact C-N 3.29Å; G161-R163 PolarHBondContact O-N 3.11Å
162T80.7Confident83.8Confident110 Ų110113.3 Ų113.368%0.67553%0.53SS*.SBendtrans-76.8-16.4179.352.20000113.2A157 R160A157-T162 WeakPolarHBondContact CA-OG1 3.25Å; A157-T162 PolarHBondContact O-N 3.47Å; A157-T162 VanDerWaalsContact O-N 3.07Å; A157-T162 PolarHBondContact O-OG1 3.18Å; R160-T162 HydrophobicContact CB-CG2 4.14Å; R160-T162 PolarHBondContact O-N 3.47Å
163R66.5Low83.2Confident92 Ų92113.5 Ų113.535%0.34753%0.531SS..  trans-139.4127.7178.9-170.2170.6173.1172.5-7.2109.5A157 G161A157-R163 HydrophobicContact CB-CB 4.24Å; A157-R163 PolarHBondContact O-N 3.44Å; G161-R163 VanDerWaalsContact C-N 3.29Å; G161-R163 PolarHBondContact O-N 3.11Å
164K63.8Low82.7Confident258 Ų258112.5 Ų112.5100%1.12252%0.524SS*.  trans-83.20174.6-66.7-175.2-179.7-1790110.8

Retrieved 164 of 164 residues in 373.6 ms (Link to these results)