A0A087XJ38_POEFO Loading...

VPS37B subunit of ESCRT-I b

Component of the ESCRT-I complex, a regulator of vesicular trafficking process. Required for the sorting of endocytic ubiquitinated cargos into multivesicular bodies. May be involved in cell growth and differentiation.

AlphaFold DB , UniProt , Accession A0A087XJ38, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 284 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
1M48.6Very low71Confident208 Ų20889.2 Ų89.2100%1.02555%0.548SS*.  0-44.40-72.8-79.4174.800111.7S3M1-S3 PolarHBondContact O-N 3.45Å
2S55.4Low72.3Confident102 Ų10287.9 Ų87.971%0.71354%0.54SS*.Hα-helixtrans-65-31.8179.1-64.10000115.4F4 T6S2-F4 PolarHBondContact O-N 3.37Å; S2-T6 PolarHBondContact O-N 2.98Å; S2-T6 PolarHBondContact O-OG1 3.18Å
3S63Low73.2Confident51 Ų5192.9 Ų92.936%0.35756%0.556SS.*Hα-helixtrans-60.4-39.7179.946.70000113.7M1 T6 K7 E35M1-S3 PolarHBondContact O-N 3.45Å; S3-T6 PolarHBondContact O-N 3Å; S3-K7 PolarHBondContact O-N 3.46Å; S3-E35 WeakPolarHBondContact CB-OE1 3.39Å; S3-E35 PolarHBondContact OG-OE1 3.15Å
4F70.4Confident74Confident69 Ų6994.3 Ų94.330%0.30357%0.566SS.*Hα-helixtrans-66.2-48.6-177.2-169.9-117.2000111.5S2 T6 K7 F8 V30 M33S2-F4 PolarHBondContact O-N 3.37Å; F4-T6 PolarHBondContact O-N 3.18Å; F4-K7 PolarHBondContact O-N 3.31Å; F4-K7 VanDerWaalsContact O-N 3.17Å; F4-F8 HydrophobicContact CD1-CD2 4.36Å; F4-F8 AromaticContact CD1-CE2 3.61Å; F4-F8 HydrophobicContact CD1-CE2 3.61Å; F4-F8 AromaticContact CD2-CE2 3.84Å; F4-F8 HydrophobicContact CD2-CE2 3.84Å; F4-F8 HydrophobicContact CD2-CZ 4.49Å; F4-F8 HydrophobicContact CE1-CD2 4.37Å; F4-F8 AromaticContact CE1-CE2 3.33Å; F4-F8 HydrophobicContact CE1-CE2 3.33Å; F4-F8 AromaticContact CE1-CZ 3.88Å; F4-F8 HydrophobicContact CE1-CZ 3.88Å; F4-F8 AromaticContact CE2-CE2 3.58Å; F4-F8 HydrophobicContact CE2-CE2 3.58Å; F4-F8 AromaticContact CE2-CZ 3.81Å; F4-F8 HydrophobicContact CE2-CZ 3.81Å; F4-F8 AromaticContact CG-CE2 3.88Å; F4-F8 HydrophobicContact CG-CE2 3.88Å; F4-F8 AromaticContact CZ-CE2 3.32Å; F4-F8 HydrophobicContact CZ-CE2 3.32Å; F4-F8 AromaticContact CZ-CZ 3.46Å; F4-F8 HydrophobicContact CZ-CZ 3.46Å; F4-F8 VanDerWaalsContact CZ-CZ 3.46Å; F4-F8 WeakPolarHBondContact O-CD2 3.4Å; F4-V30 HydrophobicContact CE2-CG2 4.16Å; F4-V30 HydrophobicContact CZ-CG2 4.37Å; F4-M33 HydrophobicContact CB-CE 4.2Å; F4-M33 HydrophobicContact CD2-CE 3.72Å; F4-M33 HydrophobicContact CD2-CG 4.48Å; F4-M33 HydrophobicContact CD2-SD 3.34Å; F4-M33 WeakPolarHBondContact CD2-SD 3.45Å; F4-M33 HydrophobicContact CE2-CE 4.5Å; F4-M33 HydrophobicContact CE2-SD 3.57Å; F4-M33 VanDerWaalsContact CE2-SD 3.57Å; F4-M33 HydrophobicContact CG-CE 4.31Å; F4-M33 HydrophobicContact CG-SD 4.41Å
5S70.7Confident74.5Confident88 Ų8893.2 Ų93.262%0.61555%0.552SS**Hα-helixtrans-61.1-32.1175-70.20000113.1F8 G9S5-F8 PolarHBondContact O-N 3.23Å; S5-G9 PolarHBondContact O-N 2.98Å
6T74.4Confident75.1Confident108 Ų10890.6 Ų90.666%0.66353%0.534SS*.Hα-helixtrans-68.9-34.4177-48.70000112.4S2 S3 F4 F8 G9S2-T6 PolarHBondContact O-N 2.98Å; S2-T6 PolarHBondContact O-OG1 3.18Å; S3-T6 PolarHBondContact O-N 3Å; F4-T6 PolarHBondContact O-N 3.18Å; T6-F8 VanDerWaalsContact C-N 3.32Å; T6-F8 PolarHBondContact O-N 3.43Å; T6-G9 PolarHBondContact O-N 3.33Å
7K75.2Confident75.6Confident85 Ų8590.2 Ų90.237%0.3753%0.529SS..Hα-helixtrans-63.3-35.5174.3-86-157.1-179.5-176.60112.4S3 F4 G9 Y11S3-K7 PolarHBondContact O-N 3.46Å; F4-K7 PolarHBondContact O-N 3.31Å; F4-K7 VanDerWaalsContact O-N 3.17Å; K7-G9 VanDerWaalsContact C-N 3.32Å; K7-G9 PolarHBondContact O-N 3.48Å; K7-Y11 WeakPolarHBondContact O-CD2 3.48Å; K7-Y11 VanDerWaalsContact O-CE2 3.26Å; K7-Y11 WeakPolarHBondContact O-CE2 3.26Å
8F78.6Confident76.2Confident46 Ų4690.2 Ų90.220%0.20252%0.524CS..Hα-helixtrans-73.2-21.7178.6-66.5-74.8000114.5F4 S5 T6 G10 Y11 L16 M29F4-F8 HydrophobicContact CD1-CD2 4.36Å; F4-F8 AromaticContact CD1-CE2 3.61Å; F4-F8 HydrophobicContact CD1-CE2 3.61Å; F4-F8 AromaticContact CD2-CE2 3.84Å; F4-F8 HydrophobicContact CD2-CE2 3.84Å; F4-F8 HydrophobicContact CD2-CZ 4.49Å; F4-F8 HydrophobicContact CE1-CD2 4.37Å; F4-F8 AromaticContact CE1-CE2 3.33Å; F4-F8 HydrophobicContact CE1-CE2 3.33Å; F4-F8 AromaticContact CE1-CZ 3.88Å; F4-F8 HydrophobicContact CE1-CZ 3.88Å; F4-F8 AromaticContact CE2-CE2 3.58Å; F4-F8 HydrophobicContact CE2-CE2 3.58Å; F4-F8 AromaticContact CE2-CZ 3.81Å; F4-F8 HydrophobicContact CE2-CZ 3.81Å; F4-F8 AromaticContact CG-CE2 3.88Å; F4-F8 HydrophobicContact CG-CE2 3.88Å; F4-F8 AromaticContact CZ-CE2 3.32Å; F4-F8 HydrophobicContact CZ-CE2 3.32Å; F4-F8 AromaticContact CZ-CZ 3.46Å; F4-F8 HydrophobicContact CZ-CZ 3.46Å; F4-F8 VanDerWaalsContact CZ-CZ 3.46Å; F4-F8 WeakPolarHBondContact O-CD2 3.4Å; S5-F8 PolarHBondContact O-N 3.23Å; T6-F8 VanDerWaalsContact C-N 3.32Å; T6-F8 PolarHBondContact O-N 3.43Å; F8-G10 PolarHBondContact O-N 2.86Å; F8-Y11 HydrophobicContact CD1-CD2 4.18Å; F8-Y11 PolarHBondContact O-N 2.62Å; F8-L16 HydrophobicContact CB-CD2 4.28Å; F8-L16 HydrophobicContact CD1-CD2 3.65Å; F8-L16 HydrophobicContact CG-CD2 4.34Å; F8-M29 HydrophobicContact CE1-CE 4.19Å; F8-M29 HydrophobicContact CE1-SD 3.76Å; F8-M29 HydrophobicContact CZ-SD 3.72Å
9G79.4Confident76.5Confident74 Ų7487.1 Ų87.176%0.76350%0.503SS*.THydrogen-bonded Turntrans-65.7-14.2178.500000114.7S5 T6 K7S5-G9 PolarHBondContact O-N 2.98Å; T6-G9 PolarHBondContact O-N 3.33Å; K7-G9 VanDerWaalsContact C-N 3.32Å; K7-G9 PolarHBondContact O-N 3.48Å
10G80.2Confident76.9Confident67 Ų6789.4 Ų89.469%0.69151%0.513SS*.THydrogen-bonded Turntrans-98.3-3.7179.200000115.6F8F8-G10 PolarHBondContact O-N 2.86Å
11Y85.3Confident77.5Confident83 Ų8392.9 Ų92.933%0.32553%0.525SS..SBendtrans-97.3150-176.8-64.7-58.7000112.5K7 F8 F19 M29K7-Y11 WeakPolarHBondContact O-CD2 3.48Å; K7-Y11 VanDerWaalsContact O-CE2 3.26Å; K7-Y11 WeakPolarHBondContact O-CE2 3.26Å; F8-Y11 HydrophobicContact CD1-CD2 4.18Å; F8-Y11 PolarHBondContact O-N 2.62Å; Y11-F19 HydrophobicContact CD1-CE2 4.41Å; Y11-F19 HydrophobicContact CD2-CE2 4.32Å; Y11-F19 HydrophobicContact CE1-CE2 4.42Å; Y11-F19 HydrophobicContact CE2-CE2 4.36Å; Y11-F19 HydrophobicContact CG-CE2 4.38Å; Y11-M29 HydrophobicContact CD2-CE 4.44Å; Y11-M29 HydrophobicContact CE2-CE 3.61Å; Y11-M29 HydrophobicContact CE2-SD 4.2Å
12T86.6Confident79.4Confident74 Ų7485.8 Ų85.845%0.45449%0.491SS..  trans-79158.4174.362.60000111.4T14 Q15 L16T12-T14 PolarHBondContact O-N 3.31Å; T12-T14 PolarHBondContact OG1-OG1 3.31Å; T12-Q15 VanDerWaalsContact N-OE1 3.11Å; T12-Q15 WeakPolarHBondContact O-CB 3.39Å; T12-Q15 PolarHBondContact O-N 3.02Å; T12-Q15 WeakPolarHBondContact OG1-CG 3.24Å; T12-Q15 PolarHBondContact OG1-OE1 3.37Å; T12-L16 PolarHBondContact O-N 3.48Å
13M83.9Confident80.9Confident153 Ų15386.4 Ų86.475%0.75449%0.486SS*.Hα-helixtrans-56-35.4-179.4-172.863.485.200112.9L16 N17M13-L16 PolarHBondContact O-N 3.44Å; M13-N17 WeakPolarHBondContact O-CB 3.34Å; M13-N17 PolarHBondContact O-N 3.23Å
14T84.6Confident82.1Confident112 Ų11291.6 Ų91.669%0.68751%0.505SS*.Hα-helixtrans-67.4-38.1175.4230000113T12 E18T12-T14 PolarHBondContact O-N 3.31Å; T12-T14 PolarHBondContact OG1-OG1 3.31Å; T14-E18 WeakPolarHBondContact O-CB 3.38Å; T14-E18 PolarHBondContact O-N 2.97Å
15Q81.6Confident82.8Confident78 Ų7891.9 Ų91.936%0.36451%0.506SS..Hα-helixtrans-69.9-38.7175.3-70.7168.9-1600111.6T12 E18 F19T12-Q15 VanDerWaalsContact N-OE1 3.11Å; T12-Q15 WeakPolarHBondContact O-CB 3.39Å; T12-Q15 PolarHBondContact O-N 3.02Å; T12-Q15 WeakPolarHBondContact OG1-CG 3.24Å; T12-Q15 PolarHBondContact OG1-OE1 3.37Å; Q15-E18 WeakPolarHBondContact O-CB 3.44Å; Q15-E18 PolarHBondContact O-N 3.48Å; Q15-F19 HydrophobicContact CB-CE2 4.49Å; Q15-F19 WeakPolarHBondContact O-CD2 3.44Å; Q15-F19 PolarHBondContact O-N 3.13Å
16L83.9Confident83.6Confident51 Ų5190.4 Ų90.427%0.26749%0.491SS..Hα-helixtrans-63.6-41.5174-78.4153.7000112.1F8 T12 M13 E18 F19 L20F8-L16 HydrophobicContact CB-CD2 4.28Å; F8-L16 HydrophobicContact CD1-CD2 3.65Å; F8-L16 HydrophobicContact CG-CD2 4.34Å; T12-L16 PolarHBondContact O-N 3.48Å; M13-L16 PolarHBondContact O-N 3.44Å; L16-E18 VanDerWaalsContact C-N 3.31Å; L16-F19 PolarHBondContact O-N 2.84Å; L16-L20 WeakPolarHBondContact O-CG 3.36Å; L16-L20 PolarHBondContact O-N 3.23Å
17N83.2Confident84.2Confident84 Ų8491 Ų9145%0.44949%0.489SS..Hα-helixtrans-67.8-33.7175.8-153.864.1000111.8M13 L20 E21M13-N17 WeakPolarHBondContact O-CB 3.34Å; M13-N17 PolarHBondContact O-N 3.23Å; N17-L20 PolarHBondContact O-N 3.47Å; N17-E21 PolarHBondContact O-N 3.05Å; N17-E21 VanDerWaalsContact O-N 3.15Å
18E85.7Confident84.7Confident91 Ų9192.9 Ų92.943%0.42550%0.498SS..Hα-helixtrans-64.6-41173-168.7-178.5-154.500112.2T14 Q15 L16 L20 E21 D22 K25T14-E18 WeakPolarHBondContact O-CB 3.38Å; T14-E18 PolarHBondContact O-N 2.97Å; Q15-E18 WeakPolarHBondContact O-CB 3.44Å; Q15-E18 PolarHBondContact O-N 3.48Å; L16-E18 VanDerWaalsContact C-N 3.31Å; E18-L20 PolarHBondContact O-N 3.02Å; E18-E21 PolarHBondContact O-N 3.39Å; E18-D22 WeakPolarHBondContact O-CB 3.48Å; E18-D22 PolarHBondContact O-N 3.44Å; E18-K25 HydrophobicContact CG-CD 4.26Å; E18-K25 IonicContact OE1-NZ 2.62Å; E18-K25 PolarHBondContact OE1-NZ 3.3Å; E18-K25 IonicContact OE2-NZ 2.86Å; E18-K25 PolarHBondContact OE2-NZ 3.32Å
19F83.6Confident85Confident31 Ų3191.2 Ų91.214%0.13649%0.491CS..Hα-helixtrans-67.8-21173.5-69.8-58.7000114.1Y11 Q15 L16 K25 M29Y11-F19 HydrophobicContact CD1-CE2 4.41Å; Y11-F19 HydrophobicContact CD2-CE2 4.32Å; Y11-F19 HydrophobicContact CE1-CE2 4.42Å; Y11-F19 HydrophobicContact CE2-CE2 4.36Å; Y11-F19 HydrophobicContact CG-CE2 4.38Å; Q15-F19 HydrophobicContact CB-CE2 4.49Å; Q15-F19 WeakPolarHBondContact O-CD2 3.44Å; Q15-F19 PolarHBondContact O-N 3.13Å; L16-F19 PolarHBondContact O-N 2.84Å; F19-K25 HydrophobicContact CD1-CB 3.76Å; F19-K25 HydrophobicContact CE1-CB 3.89Å; F19-K25 HydrophobicContact CE1-CD 4.28Å; F19-K25 HydrophobicContact CE1-CG 4.37Å; F19-M29 HydrophobicContact CD1-CE 3.92Å; F19-M29 HydrophobicContact CD2-CE 3.81Å; F19-M29 HydrophobicContact CE1-CE 3.49Å; F19-M29 VanDerWaalsContact CE1-CE 3.49Å; F19-M29 HydrophobicContact CE2-CE 3.36Å; F19-M29 HydrophobicContact CG-CE 4.1Å; F19-M29 HydrophobicContact CZ-CE 3.2Å
20L83.8Confident85.4Confident133 Ų13390.2 Ų90.270%0.69647%0.469SS*.Hα-helixtrans-83-24.7175-77.4164.9000112.7L16 N17 E18L16-L20 WeakPolarHBondContact O-CG 3.36Å; L16-L20 PolarHBondContact O-N 3.23Å; N17-L20 PolarHBondContact O-N 3.47Å; E18-L20 PolarHBondContact O-N 3.02Å
21E89Confident85.8Confident162 Ų16293.8 Ų93.876%0.75747%0.468SS*.Hα-helixtrans-99-15.1179.1-64.9-159.2-164.400113.4N17 E18N17-E21 PolarHBondContact O-N 3.05Å; N17-E21 VanDerWaalsContact O-N 3.15Å; E18-E21 PolarHBondContact O-N 3.39Å
22D88.5Confident85.8Confident59 Ų5995 Ų9532%0.31648%0.477SS..  trans-122.594.8177.1-174.8-7.6000111.8E18 E24 K25 L26E18-D22 WeakPolarHBondContact O-CB 3.48Å; E18-D22 PolarHBondContact O-N 3.44Å; D22-E24 PolarHBondContact O-N 3.17Å; D22-E24 WeakPolarHBondContact OD1-CB 3.46Å; D22-E24 PolarHBondContact OD1-N 2.55Å; D22-K25 HydrophobicContact CB-CB 4.12Å; D22-K25 HydrophobicContact CB-CD 4.44Å; D22-K25 WeakPolarHBondContact O-CB 3.28Å; D22-K25 PolarHBondContact O-N 3.21Å; D22-K25 PolarHBondContact OD1-N 3.42Å; D22-K25 WeakPolarHBondContact OD2-CG 2.98Å; D22-L26 PolarHBondContact O-N 3.44Å
23D86.5Confident85.9Confident115 Ų11592.7 Ų92.762%0.61546%0.461SS*.Hα-helixtrans-61-28.8177.2-77.3-24.5000112.9L26 L27D23-L26 PolarHBondContact O-N 2.93Å; D23-L27 WeakPolarHBondContact O-CB 3.27Å; D23-L27 PolarHBondContact O-N 3.21Å
24E90.1Very high86.1Confident160 Ų16091 Ų9175%0.74846%0.455SS*.Hα-helixtrans-70.2-39.4178.5-66.7-156.2163.800111.2D22 L26 L27 K28D22-E24 PolarHBondContact O-N 3.17Å; D22-E24 WeakPolarHBondContact OD1-CB 3.46Å; D22-E24 PolarHBondContact OD1-N 2.55Å; E24-L26 VanDerWaalsContact C-N 3.33Å; E24-L27 PolarHBondContact O-N 3Å; E24-K28 WeakPolarHBondContact O-CB 3.11Å; E24-K28 PolarHBondContact O-N 3.48Å
25K85Confident86.4Confident75 Ų7589.4 Ų89.433%0.32644%0.44SS..Hα-helixtrans-62.6-40.3173-97.5-175172.6-174.40112E18 F19 D22 K28 M29E18-K25 HydrophobicContact CG-CD 4.26Å; E18-K25 IonicContact OE1-NZ 2.62Å; E18-K25 PolarHBondContact OE1-NZ 3.3Å; E18-K25 IonicContact OE2-NZ 2.86Å; E18-K25 PolarHBondContact OE2-NZ 3.32Å; F19-K25 HydrophobicContact CD1-CB 3.76Å; F19-K25 HydrophobicContact CE1-CB 3.89Å; F19-K25 HydrophobicContact CE1-CD 4.28Å; F19-K25 HydrophobicContact CE1-CG 4.37Å; D22-K25 HydrophobicContact CB-CB 4.12Å; D22-K25 HydrophobicContact CB-CD 4.44Å; D22-K25 WeakPolarHBondContact O-CB 3.28Å; D22-K25 PolarHBondContact O-N 3.21Å; D22-K25 PolarHBondContact OD1-N 3.42Å; D22-K25 WeakPolarHBondContact OD2-CG 2.98Å; K25-K28 PolarHBondContact O-N 2.87Å; K25-M29 PolarHBondContact O-N 3.29Å; K25-M29 VanDerWaalsContact O-N 3.09Å
26L85.6Confident86.8Confident58 Ų5888.4 Ų88.430%0.30444%0.439SS..Hα-helixtrans-65.7-45.6176.2-174.764.6000111.7D22 D23 E24 K28 M29 V30D22-L26 PolarHBondContact O-N 3.44Å; D23-L26 PolarHBondContact O-N 2.93Å; E24-L26 VanDerWaalsContact C-N 3.33Å; L26-K28 VanDerWaalsContact C-N 3.32Å; L26-K28 PolarHBondContact O-N 2.88Å; L26-M29 PolarHBondContact O-N 3.42Å; L26-V30 WeakPolarHBondContact O-CG2 3.36Å; L26-V30 PolarHBondContact O-N 3.41Å
27L87.3Confident87.3Confident119 Ų11992 Ų9262%0.62345%0.454SS*.Hα-helixtrans-58.5-42.1175.1-99.6150.8000112.3D23 E24 V30 Q31D23-L27 WeakPolarHBondContact O-CB 3.27Å; D23-L27 PolarHBondContact O-N 3.21Å; E24-L27 PolarHBondContact O-N 3Å; L27-V30 PolarHBondContact O-N 2.81Å; L27-Q31 WeakPolarHBondContact O-CB 3.45Å; L27-Q31 PolarHBondContact O-N 2.98Å
28K87.4Confident87.9Confident126 Ų12694.5 Ų94.555%0.54846%0.463SS..Hα-helixtrans-63.2-43.4176.9-170.1178.4178.6-177.60111.7E24 K25 L26 V30 Q31 E32E24-K28 WeakPolarHBondContact O-CB 3.11Å; E24-K28 PolarHBondContact O-N 3.48Å; K25-K28 PolarHBondContact O-N 2.87Å; L26-K28 VanDerWaalsContact C-N 3.32Å; L26-K28 PolarHBondContact O-N 2.88Å; K28-V30 VanDerWaalsContact C-N 3.32Å; K28-V30 PolarHBondContact O-N 3.29Å; K28-Q31 PolarHBondContact O-N 3.48Å; K28-E32 VanDerWaalsContact CE-OE1 3.24Å; K28-E32 WeakPolarHBondContact CE-OE1 3.5Å; K28-E32 WeakPolarHBondContact O-CG 3.42Å; K28-E32 PolarHBondContact O-N 2.93Å
29M84.6Confident88.3Confident11 Ų1195.1 Ų95.15%0.05447%0.473CS..Hα-helixtrans-61-41.5175.3-173.8-172.6-60.200112F8 Y11 F19 K25 L26 E32 M33F8-M29 HydrophobicContact CE1-CE 4.19Å; F8-M29 HydrophobicContact CE1-SD 3.76Å; F8-M29 HydrophobicContact CZ-SD 3.72Å; Y11-M29 HydrophobicContact CD2-CE 4.44Å; Y11-M29 HydrophobicContact CE2-CE 3.61Å; Y11-M29 HydrophobicContact CE2-SD 4.2Å; F19-M29 HydrophobicContact CD1-CE 3.92Å; F19-M29 HydrophobicContact CD2-CE 3.81Å; F19-M29 HydrophobicContact CE1-CE 3.49Å; F19-M29 VanDerWaalsContact CE1-CE 3.49Å; F19-M29 HydrophobicContact CE2-CE 3.36Å; F19-M29 HydrophobicContact CG-CE 4.1Å; F19-M29 HydrophobicContact CZ-CE 3.2Å; K25-M29 PolarHBondContact O-N 3.29Å; K25-M29 VanDerWaalsContact O-N 3.09Å; L26-M29 PolarHBondContact O-N 3.42Å; M29-E32 CarbonylContact O-C 3.59Å; M29-E32 PolarHBondContact O-N 3.39Å; M29-M33 PolarHBondContact O-N 3.09Å
30V87.6Confident88.9Confident52 Ų5297.4 Ų97.432%0.31548%0.484SS..Hα-helixtrans-65.6-39.5176.6171.90000111.2F4 L26 L27 K28 E32 M33 V36F4-V30 HydrophobicContact CE2-CG2 4.16Å; F4-V30 HydrophobicContact CZ-CG2 4.37Å; L26-V30 WeakPolarHBondContact O-CG2 3.36Å; L26-V30 PolarHBondContact O-N 3.41Å; L27-V30 PolarHBondContact O-N 2.81Å; K28-V30 VanDerWaalsContact C-N 3.32Å; K28-V30 PolarHBondContact O-N 3.29Å; V30-E32 VanDerWaalsContact C-N 3.29Å; V30-E32 PolarHBondContact O-N 3.23Å; V30-M33 HydrophobicContact CB-SD 4.46Å; V30-M33 HydrophobicContact CG1-SD 4.38Å; V30-M33 HydrophobicContact CG2-SD 4.41Å; V30-M33 VanDerWaalsContact O-CB 3.27Å; V30-M33 WeakPolarHBondContact O-CB 3.44Å; V30-M33 WeakPolarHBondContact O-CG 3.42Å; V30-M33 PolarHBondContact O-N 3.25Å; V30-M33 VanDerWaalsContact O-N 3.13Å; V30-V36 HydrophobicContact CG1-CG2 4.15Å; V30-V36 WeakPolarHBondContact O-CB 3.36Å; V30-V36 VanDerWaalsContact O-CG2 3.3Å; V30-V36 WeakPolarHBondContact O-CG2 3.44Å
31Q87.6Confident89.5Confident142 Ų14297.8 Ų97.866%0.66448%0.483SS*.Hα-helixtrans-67.6-30.8177.4-166.216725.100112.9L27 K28 M33L27-Q31 WeakPolarHBondContact O-CB 3.45Å; L27-Q31 PolarHBondContact O-N 2.98Å; K28-Q31 PolarHBondContact O-N 3.48Å; Q31-M33 VanDerWaalsContact C-N 3.26Å; Q31-M33 PolarHBondContact O-N 2.91Å
32E85.8Confident89.9Confident109 Ų10994.8 Ų94.851%0.50947%0.471SS..THydrogen-bonded Turntrans-83.16.7173.4-67.4175.3-171.500113.3K28 M29 V30K28-E32 VanDerWaalsContact CE-OE1 3.24Å; K28-E32 WeakPolarHBondContact CE-OE1 3.5Å; K28-E32 WeakPolarHBondContact O-CG 3.42Å; K28-E32 PolarHBondContact O-N 2.93Å; M29-E32 CarbonylContact O-C 3.59Å; M29-E32 PolarHBondContact O-N 3.39Å; V30-E32 VanDerWaalsContact C-N 3.29Å; V30-E32 PolarHBondContact O-N 3.23Å
33M88.5Confident90.4Very high25 Ų2597.4 Ų97.412%0.12348%0.48CS..SBendtrans-75138.5171.3-71.217659.600111F4 M29 V30 Q31 E35 V36 Q37F4-M33 HydrophobicContact CB-CE 4.2Å; F4-M33 HydrophobicContact CD2-CE 3.72Å; F4-M33 HydrophobicContact CD2-CG 4.48Å; F4-M33 HydrophobicContact CD2-SD 3.34Å; F4-M33 WeakPolarHBondContact CD2-SD 3.45Å; F4-M33 HydrophobicContact CE2-CE 4.5Å; F4-M33 HydrophobicContact CE2-SD 3.57Å; F4-M33 VanDerWaalsContact CE2-SD 3.57Å; F4-M33 HydrophobicContact CG-CE 4.31Å; F4-M33 HydrophobicContact CG-SD 4.41Å; M29-M33 PolarHBondContact O-N 3.09Å; V30-M33 HydrophobicContact CB-SD 4.46Å; V30-M33 HydrophobicContact CG1-SD 4.38Å; V30-M33 HydrophobicContact CG2-SD 4.41Å; V30-M33 VanDerWaalsContact O-CB 3.27Å; V30-M33 WeakPolarHBondContact O-CB 3.44Å; V30-M33 WeakPolarHBondContact O-CG 3.42Å; V30-M33 PolarHBondContact O-N 3.25Å; V30-M33 VanDerWaalsContact O-N 3.13Å; Q31-M33 VanDerWaalsContact C-N 3.26Å; Q31-M33 PolarHBondContact O-N 2.91Å; M33-E35 VanDerWaalsContact CE-OE2 3.27Å; M33-E35 WeakPolarHBondContact CE-OE2 3.42Å; M33-E35 PolarHBondContact O-N 3.28Å; M33-V36 HydrophobicContact CB-CB 4.42Å; M33-V36 HydrophobicContact CB-CG2 4.24Å; M33-V36 PolarHBondContact O-N 3.3Å; M33-Q37 WeakPolarHBondContact O-CB 3.42Å; M33-Q37 PolarHBondContact O-N 3.36Å
34D88.8Confident90.9Very high117 Ų11797 Ų9763%0.62648%0.475SS*.Hα-helixtrans-56.4-39.6179.4-60.1-28000111.3V36 Q37 E38D34-V36 PolarHBondContact O-N 2.97Å; D34-Q37 PolarHBondContact O-N 2.98Å; D34-E38 VanDerWaalsContact O-CB 3.28Å; D34-E38 WeakPolarHBondContact O-CB 3.35Å; D34-E38 PolarHBondContact O-N 3.39Å
35E89.6Confident91.3Very high80 Ų8096.9 Ų96.937%0.37447%0.472SS..Hα-helixtrans-65.9-37.9178.8-59.192.7158.900112.7S3 M33 V39S3-E35 WeakPolarHBondContact CB-OE1 3.39Å; S3-E35 PolarHBondContact OG-OE1 3.15Å; M33-E35 VanDerWaalsContact CE-OE2 3.27Å; M33-E35 WeakPolarHBondContact CE-OE2 3.42Å; M33-E35 PolarHBondContact O-N 3.28Å; E35-V39 VanDerWaalsContact O-CG2 3.26Å; E35-V39 WeakPolarHBondContact O-CG2 3.42Å; E35-V39 PolarHBondContact O-N 3.24Å
36V91.2Very high91.9Very high57 Ų5797.3 Ų97.335%0.34548%0.481SS..Hα-helixtrans-74-39.4178.4177.10000110.3V30 M33 D34 V39 Q40V30-V36 HydrophobicContact CG1-CG2 4.15Å; V30-V36 WeakPolarHBondContact O-CB 3.36Å; V30-V36 VanDerWaalsContact O-CG2 3.3Å; V30-V36 WeakPolarHBondContact O-CG2 3.44Å; M33-V36 HydrophobicContact CB-CB 4.42Å; M33-V36 HydrophobicContact CB-CG2 4.24Å; M33-V36 PolarHBondContact O-N 3.3Å; D34-V36 PolarHBondContact O-N 2.97Å; V36-V39 PolarHBondContact O-N 3.36Å; V36-Q40 WeakPolarHBondContact O-CB 3.49Å; V36-Q40 PolarHBondContact O-N 2.91Å
37Q93.8Very high92.5Very high125 Ų12599.4 Ų99.458%0.58449%0.492SS*.Hα-helixtrans-66.7-40.4177-161.9177.221.200111.9M33 D34 Q40 Q41M33-Q37 WeakPolarHBondContact O-CB 3.42Å; M33-Q37 PolarHBondContact O-N 3.36Å; D34-Q37 PolarHBondContact O-N 2.98Å; Q37-Q40 PolarHBondContact O-N 3.48Å; Q37-Q41 WeakPolarHBondContact O-CB 3.3Å; Q37-Q41 PolarHBondContact O-N 3.27Å
38E95.1Very high93Very high137 Ų13796.3 Ų96.364%0.6448%0.483SS*.Hα-helixtrans-62.4-45.7174.9-175.1-178.4-17600111.3D34 Q40 Q41 N42D34-E38 VanDerWaalsContact O-CB 3.28Å; D34-E38 WeakPolarHBondContact O-CB 3.35Å; D34-E38 PolarHBondContact O-N 3.39Å; E38-Q40 VanDerWaalsContact C-N 3.33Å; E38-Q40 PolarHBondContact O-N 2.9Å; E38-Q41 PolarHBondContact O-N 3.3Å; E38-N42 WeakPolarHBondContact O-CB 3.42Å; E38-N42 PolarHBondContact O-N 2.95Å
39V95.9Very high93.5Very high104 Ų10494.8 Ų94.863%0.6348%0.481SS*.Hα-helixtrans-61.6-42.9175.8169.90000111E35 V36 N42 K43E35-V39 VanDerWaalsContact O-CG2 3.26Å; E35-V39 WeakPolarHBondContact O-CG2 3.42Å; E35-V39 PolarHBondContact O-N 3.24Å; V36-V39 PolarHBondContact O-N 3.36Å; V39-N42 PolarHBondContact O-N 3.34Å; V39-K43 WeakPolarHBondContact O-CB 3.35Å; V39-K43 PolarHBondContact O-N 2.81Å
40Q95.4Very high94.2Very high80 Ų8099.3 Ų99.337%0.37451%0.506SS..Hα-helixtrans-64.9-42.6177.8-178.457.632.600111.6V36 Q37 E38 K43 E44V36-Q40 WeakPolarHBondContact O-CB 3.49Å; V36-Q40 PolarHBondContact O-N 2.91Å; Q37-Q40 PolarHBondContact O-N 3.48Å; E38-Q40 VanDerWaalsContact C-N 3.33Å; E38-Q40 PolarHBondContact O-N 2.9Å; Q40-K43 WeakPolarHBondContact O-CB 3.27Å; Q40-K43 PolarHBondContact O-N 2.85Å; Q40-E44 PolarHBondContact NE2-OE1 3.32Å; Q40-E44 WeakPolarHBondContact O-CG 3.32Å; Q40-E44 PolarHBondContact O-N 3.39Å
41Q96.6Very high94.7Very high141 Ų141104.9 Ų104.966%0.65952%0.521SS*.Hα-helixtrans-64.1-42.1175.6-170.3-176.63600111.6Q37 E38 K43 E44 K45Q37-Q41 WeakPolarHBondContact O-CB 3.3Å; Q37-Q41 PolarHBondContact O-N 3.27Å; E38-Q41 PolarHBondContact O-N 3.3Å; Q41-K43 VanDerWaalsContact C-N 3.34Å; Q41-E44 PolarHBondContact O-N 2.83Å; Q41-K45 WeakPolarHBondContact O-CB 3.26Å; Q41-K45 PolarHBondContact O-N 2.93Å
42N97.1Very high95.2Very high98 Ų98101.4 Ų101.452%0.52451%0.509SS..Hα-helixtrans-66.7-37.5177.8-166.323.1000111.7E38 V39 K45 T46E38-N42 WeakPolarHBondContact O-CB 3.42Å; E38-N42 PolarHBondContact O-N 2.95Å; V39-N42 PolarHBondContact O-N 3.34Å; N42-K45 PolarHBondContact O-N 3.46Å; N42-T46 WeakPolarHBondContact O-CB 3.49Å; N42-T46 PolarHBondContact O-N 3.44Å; N42-T46 PolarHBondContact O-OG1 2.89Å
43K98Very high95.8Very high114 Ų114100 Ų10050%0.49651%0.505SS..Hα-helixtrans-59.6-49.2171.1172.6-174.7170.8-173.20111V39 Q40 Q41 T46 L47V39-K43 WeakPolarHBondContact O-CB 3.35Å; V39-K43 PolarHBondContact O-N 2.81Å; Q40-K43 WeakPolarHBondContact O-CB 3.27Å; Q40-K43 PolarHBondContact O-N 2.85Å; Q41-K43 VanDerWaalsContact C-N 3.34Å; K43-T46 PolarHBondContact O-N 3.41Å; K43-L47 HydrophobicContact CG-CD1 3.96Å; K43-L47 HydrophobicContact CG-CG 4.47Å; K43-L47 WeakPolarHBondContact O-CB 3.47Å; K43-L47 WeakPolarHBondContact O-CG 3.44Å; K43-L47 PolarHBondContact O-N 3.02Å
44E97.7Very high96.3Very high108 Ų108100.9 Ų100.951%0.50552%0.516SS..Hα-helixtrans-61.6-44.8178.5-75.6172.2-162.600112.1Q40 Q41 T46 L47 A48Q40-E44 PolarHBondContact NE2-OE1 3.32Å; Q40-E44 WeakPolarHBondContact O-CG 3.32Å; Q40-E44 PolarHBondContact O-N 3.39Å; Q41-E44 PolarHBondContact O-N 2.83Å; E44-T46 VanDerWaalsContact C-N 3.3Å; E44-T46 PolarHBondContact O-N 2.9Å; E44-L47 PolarHBondContact O-N 3.33Å; E44-A48 WeakPolarHBondContact O-CB 3.41Å; E44-A48 PolarHBondContact O-N 3.18Å
45K97.9Very high96.7Very high157 Ų15799.7 Ų99.768%0.68351%0.507SS*.Hα-helixtrans-58.4-43.3174.7-175179-179.8178.80111.8Q41 N42 A48 N49Q41-K45 WeakPolarHBondContact O-CB 3.26Å; Q41-K45 PolarHBondContact O-N 2.93Å; N42-K45 PolarHBondContact O-N 3.46Å; K45-A48 PolarHBondContact O-N 3.34Å; K45-N49 WeakPolarHBondContact O-CB 3.34Å; K45-N49 PolarHBondContact O-N 2.85Å
46T98.2Very high97.1Very high84 Ų84100.8 Ų100.852%0.51551%0.512SS..Hα-helixtrans-66.6-43.3178.5-59.30000111.4N42 K43 E44 N49 N50N42-T46 WeakPolarHBondContact O-CB 3.49Å; N42-T46 PolarHBondContact O-N 3.44Å; N42-T46 PolarHBondContact O-OG1 2.89Å; K43-T46 PolarHBondContact O-N 3.41Å; E44-T46 VanDerWaalsContact C-N 3.3Å; E44-T46 PolarHBondContact O-N 2.9Å; T46-N49 PolarHBondContact O-N 3.48Å; T46-N50 WeakPolarHBondContact O-CB 3.46Å; T46-N50 PolarHBondContact O-N 2.68Å
47L98.4Very high97.4Very high102 Ų102102.9 Ų102.953%0.53452%0.521SS..Hα-helixtrans-64-42.7176.7-73.7172.1000111.7K43 E44 N50 R51K43-L47 HydrophobicContact CG-CD1 3.96Å; K43-L47 HydrophobicContact CG-CG 4.47Å; K43-L47 WeakPolarHBondContact O-CB 3.47Å; K43-L47 WeakPolarHBondContact O-CG 3.44Å; K43-L47 PolarHBondContact O-N 3.02Å; E44-L47 PolarHBondContact O-N 3.33Å; L47-N50 PolarHBondContact O-N 3.23Å; L47-R51 WeakPolarHBondContact O-CB 3.49Å; L47-R51 PolarHBondContact O-N 2.91Å
48A98.2Very high97.6Very high54 Ų54102.4 Ų102.445%0.44652%0.522SS..Hα-helixtrans-62.8-42.417600000111.8E44 K45 R51 T52E44-A48 WeakPolarHBondContact O-CB 3.41Å; E44-A48 PolarHBondContact O-N 3.18Å; K45-A48 PolarHBondContact O-N 3.34Å; A48-R51 PolarHBondContact O-N 3.19Å; A48-T52 PolarHBondContact O-N 3.5Å; A48-T52 PolarHBondContact O-OG1 3.4Å
49N98.2Very high97.7Very high94 Ų94100.1 Ų100.150%0.50352%0.518SS..Hα-helixtrans-64.9-47.7175.5-173.8-2.8000111.4K45 T46 R51 T52 L53K45-N49 WeakPolarHBondContact O-CB 3.34Å; K45-N49 PolarHBondContact O-N 2.85Å; T46-N49 PolarHBondContact O-N 3.48Å; N49-R51 VanDerWaalsContact C-N 3.3Å; N49-R51 PolarHBondContact O-N 3.31Å; N49-T52 PolarHBondContact O-N 2.9Å; N49-T52 VanDerWaalsContact O-N 3.16Å; N49-L53 WeakPolarHBondContact O-CG 3.32Å; N49-L53 PolarHBondContact O-N 2.89Å; N49-L53 WeakPolarHBondContact OD1-CD1 3.39Å
50N98.4Very high97.9Very high106 Ų10699.2 Ų99.257%0.56751%0.509SS*.Hα-helixtrans-58.9-42.7177.5-175.7-94.5000111.7T46 L47 L53 A54T46-N50 WeakPolarHBondContact O-CB 3.46Å; T46-N50 PolarHBondContact O-N 2.68Å; L47-N50 PolarHBondContact O-N 3.23Å; N50-L53 PolarHBondContact O-N 3.34Å; N50-A54 WeakPolarHBondContact O-CB 3.33Å; N50-A54 PolarHBondContact O-N 3.41Å
51R98.4Very high98Very high168 Ų168101.2 Ų101.263%0.63452%0.518SS*.Hα-helixtrans-60-48.5174.8-176.8-179.5-178.3121.54.8111.6L47 A48 N49 L53 A54 E55L47-R51 WeakPolarHBondContact O-CB 3.49Å; L47-R51 PolarHBondContact O-N 2.91Å; A48-R51 PolarHBondContact O-N 3.19Å; N49-R51 VanDerWaalsContact C-N 3.3Å; N49-R51 PolarHBondContact O-N 3.31Å; R51-L53 VanDerWaalsContact C-N 3.31Å; R51-L53 PolarHBondContact O-N 3.17Å; R51-A54 PolarHBondContact O-N 3.39Å; R51-E55 WeakPolarHBondContact CG-OE1 3.46Å; R51-E55 IonicContact CZ-OE1 3.35Å; R51-E55 IonicContact NE-OE1 3.19Å; R51-E55 PolarHBondContact NE-OE1 3.5Å; R51-E55 IonicContact NH2-OE1 3.47Å; R51-E55 PolarHBondContact NH2-OE1 2.84Å; R51-E55 WeakPolarHBondContact O-CG 3.33Å; R51-E55 PolarHBondContact O-N 3.35Å
52T98.1Very high98Very high69 Ų6998.4 Ų98.442%0.42351%0.512SS..Hα-helixtrans-58.8-44.3178.1-54.50000111.2A48 N49 E55 Q56A48-T52 PolarHBondContact O-N 3.5Å; A48-T52 PolarHBondContact O-OG1 3.4Å; N49-T52 PolarHBondContact O-N 2.9Å; N49-T52 VanDerWaalsContact O-N 3.16Å; T52-E55 PolarHBondContact O-N 2.88Å; T52-Q56 WeakPolarHBondContact O-CB 3.4Å; T52-Q56 WeakPolarHBondContact O-CG 3.45Å; T52-Q56 PolarHBondContact O-N 3.4Å
53L98.4Very high98.1Very high81 Ų8199.7 Ų99.742%0.42452%0.515SS..Hα-helixtrans-64.5-40.1176.4-74.8168.8000112.2N49 N50 R51 Q56 N57N49-L53 WeakPolarHBondContact O-CG 3.32Å; N49-L53 PolarHBondContact O-N 2.89Å; N49-L53 WeakPolarHBondContact OD1-CD1 3.39Å; N50-L53 PolarHBondContact O-N 3.34Å; R51-L53 VanDerWaalsContact C-N 3.31Å; R51-L53 PolarHBondContact O-N 3.17Å; L53-Q56 PolarHBondContact O-N 2.85Å; L53-N57 WeakPolarHBondContact O-CB 3.5Å; L53-N57 VanDerWaalsContact O-CG 3.22Å; L53-N57 PolarHBondContact O-N 2.86Å; L53-N57 PolarHBondContact O-ND2 3.16Å
54A98.4Very high98.1Very high42 Ų42100 Ų10035%0.34752%0.521SS..Hα-helixtrans-63.8-43.9176.400000111.4N50 R51 N57 L58N50-A54 WeakPolarHBondContact O-CB 3.33Å; N50-A54 PolarHBondContact O-N 3.41Å; R51-A54 PolarHBondContact O-N 3.39Å; A54-N57 PolarHBondContact O-N 3.32Å; A54-L58 WeakPolarHBondContact O-CG 3.35Å; A54-L58 PolarHBondContact O-N 3.42Å
55E97.9Very high98.1Very high93 Ų9399.5 Ų99.544%0.43552%0.519SS..Hα-helixtrans-62.7-43.6175.5-72.3173-172.100111.2R51 T52 L58 T59R51-E55 WeakPolarHBondContact CG-OE1 3.46Å; R51-E55 IonicContact CZ-OE1 3.35Å; R51-E55 IonicContact NE-OE1 3.19Å; R51-E55 PolarHBondContact NE-OE1 3.5Å; R51-E55 IonicContact NH2-OE1 3.47Å; R51-E55 PolarHBondContact NH2-OE1 2.84Å; R51-E55 WeakPolarHBondContact O-CG 3.33Å; R51-E55 PolarHBondContact O-N 3.35Å; T52-E55 PolarHBondContact O-N 2.88Å; E55-L58 PolarHBondContact O-N 2.86Å; E55-T59 WeakPolarHBondContact O-CG2 3.39Å; E55-T59 PolarHBondContact O-N 3.02Å; E55-T59 PolarHBondContact O-OG1 2.98Å
56Q98.2Very high98.1Very high102 Ų10296.6 Ų96.648%0.47751%0.508SS..Hα-helixtrans-60.7-46.5173.5-74.4178.1-6.900112T52 L53 L58 T59 L60T52-Q56 WeakPolarHBondContact O-CB 3.4Å; T52-Q56 WeakPolarHBondContact O-CG 3.45Å; T52-Q56 PolarHBondContact O-N 3.4Å; L53-Q56 PolarHBondContact O-N 2.85Å; Q56-L58 VanDerWaalsContact C-N 3.31Å; Q56-L58 PolarHBondContact O-N 3.11Å; Q56-T59 WeakPolarHBondContact CA-OG1 3.16Å; Q56-T59 PolarHBondContact O-N 3.39Å; Q56-T59 VanDerWaalsContact O-N 3.11Å; Q56-T59 PolarHBondContact O-OG1 2.99Å; Q56-L60 WeakPolarHBondContact O-CG 3.41Å; Q56-L60 PolarHBondContact O-N 3.2Å
57N98.1Very high98.1Very high102 Ų10299.1 Ų99.155%0.54551%0.511SS..Hα-helixtrans-59.3-42.6177-75.8-24.3000111.9L53 A54 T59 L60 Q61L53-N57 WeakPolarHBondContact O-CB 3.5Å; L53-N57 VanDerWaalsContact O-CG 3.22Å; L53-N57 PolarHBondContact O-N 2.86Å; L53-N57 PolarHBondContact O-ND2 3.16Å; A54-N57 PolarHBondContact O-N 3.32Å; N57-T59 VanDerWaalsContact C-N 3.31Å; N57-T59 PolarHBondContact O-N 3.1Å; N57-L60 PolarHBondContact O-N 2.99Å; N57-Q61 PolarHBondContact O-N 2.93Å
58L97.9Very high98.2Very high115 Ų11599.6 Ų99.660%0.60251%0.509SS*.Hα-helixtrans-61.1-38.7175.4-74.5168.4000111.9A54 E55 Q56 P62A54-L58 WeakPolarHBondContact O-CG 3.35Å; A54-L58 PolarHBondContact O-N 3.42Å; E55-L58 PolarHBondContact O-N 2.86Å; Q56-L58 VanDerWaalsContact C-N 3.31Å; Q56-L58 PolarHBondContact O-N 3.11Å; L58-P62 WeakPolarHBondContact O-CD 3.38Å
59T97.3Very high98.2Very high89 Ų89103 Ų10355%0.54652%0.516SS..Hα-helixtrans-71.1-28.917658.50000113.9E55 Q56 N57 P62E55-T59 WeakPolarHBondContact O-CG2 3.39Å; E55-T59 PolarHBondContact O-N 3.02Å; E55-T59 PolarHBondContact O-OG1 2.98Å; Q56-T59 WeakPolarHBondContact CA-OG1 3.16Å; Q56-T59 PolarHBondContact O-N 3.39Å; Q56-T59 VanDerWaalsContact O-N 3.11Å; Q56-T59 PolarHBondContact O-OG1 2.99Å; N57-T59 VanDerWaalsContact C-N 3.31Å; N57-T59 PolarHBondContact O-N 3.1Å; T59-P62 WeakPolarHBondContact O-CD 3.38Å; T59-P62 WeakPolarHBondContact O-CG 3.32Å
60L98.1Very high98.2Very high85 Ų85103.3 Ų103.345%0.44551%0.514SS..Hα-helixtrans-81-30.9178.9-69.5173.7000112.9Q56 N57 Q63 L64Q56-L60 WeakPolarHBondContact O-CG 3.41Å; Q56-L60 PolarHBondContact O-N 3.2Å; N57-L60 PolarHBondContact O-N 2.99Å; L60-Q63 PolarHBondContact O-N 3.32Å; L60-Q63 VanDerWaalsContact O-N 3.1Å; L60-L64 PolarHBondContact O-N 3.38Å
61Q98.2Very high98.2Very high122 Ų122103 Ų10357%0.5751%0.512SS*.Hα-helixtrans-49.6-49.6-179.9-174175.5-15.600114.5N57 Q63 L64 E65N57-Q61 PolarHBondContact O-N 2.93Å; Q61-Q63 VanDerWaalsContact C-N 3.31Å; Q61-Q63 PolarHBondContact O-N 2.86Å; Q61-L64 PolarHBondContact O-N 3.31Å; Q61-E65 PolarHBondContact O-N 3.45Å
62P97.7Very high98.2Very high81 Ų8199.3 Ų99.353%0.52651%0.508SS..Hα-helixtrans-64.9-34.8179.525.2-35.4000112.7L58 T59 H66L58-P62 WeakPolarHBondContact O-CD 3.38Å; T59-P62 WeakPolarHBondContact O-CD 3.38Å; T59-P62 WeakPolarHBondContact O-CG 3.32Å; P62-H66 VanDerWaalsContact O-CB 3.27Å; P62-H66 WeakPolarHBondContact O-CB 3.42Å; P62-H66 PolarHBondContact O-N 3.22Å
63Q97.8Very high98.2Very high126 Ų126103.6 Ų103.659%0.58952%0.521SS*.Hα-helixtrans-67.6-42.6177.2-60.1-173.434.300111.1L60 Q61 H66 K67L60-Q63 PolarHBondContact O-N 3.32Å; L60-Q63 VanDerWaalsContact O-N 3.1Å; Q61-Q63 VanDerWaalsContact C-N 3.31Å; Q61-Q63 PolarHBondContact O-N 2.86Å; Q63-H66 PolarHBondContact O-N 3.37Å; Q63-K67 WeakPolarHBondContact O-CB 3.2Å; Q63-K67 WeakPolarHBondContact O-CG 3.49Å; Q63-K67 PolarHBondContact O-N 3.46Å
64L98.3Very high98.2Very high121 Ų121103.5 Ų103.563%0.63453%0.527SS*.Hα-helixtrans-62.6-46.7175.6-84.3168.1000111.7L60 Q61 H66 K67 K68L60-L64 PolarHBondContact O-N 3.38Å; Q61-L64 PolarHBondContact O-N 3.31Å; L64-H66 VanDerWaalsContact C-N 3.33Å; L64-H66 PolarHBondContact O-N 3.17Å; L64-K67 PolarHBondContact O-N 2.97Å; L64-K68 VanDerWaalsContact O-CB 3.3Å; L64-K68 WeakPolarHBondContact O-CB 3.27Å; L64-K68 PolarHBondContact O-N 2.98Å
65E98.3Very high98.2Very high96 Ų96108.5 Ų108.545%0.44954%0.538SS..Hα-helixtrans-64.2-41.1179.6-164.559.4-138.800110.9Q61 K67 K68 E69Q61-E65 PolarHBondContact O-N 3.45Å; E65-K67 PolarHBondContact O-N 3.47Å; E65-K68 WeakPolarHBondContact O-CB 3.3Å; E65-K68 PolarHBondContact O-N 2.98Å; E65-K68 IonicContact OE1-NZ 3.61Å; E65-K68 PolarHBondContact OE1-NZ 2.89Å; E65-K68 IonicContact OE2-NZ 3.5Å; E65-K68 PolarHBondContact OE2-NZ 3.25Å; E65-K68 VanDerWaalsContact OE2-NZ 3.13Å; E65-E69 WeakPolarHBondContact O-CB 3.49Å; E65-E69 PolarHBondContact O-N 2.93Å
66H98.3Very high98.3Very high97 Ų97106.7 Ų106.745%0.44954%0.535SS..Hα-helixtrans-61.9-43.6175.4-176.657.8000112.7P62 Q63 L64 K68 E69 Q70P62-H66 VanDerWaalsContact O-CB 3.27Å; P62-H66 WeakPolarHBondContact O-CB 3.42Å; P62-H66 PolarHBondContact O-N 3.22Å; Q63-H66 PolarHBondContact O-N 3.37Å; L64-H66 VanDerWaalsContact C-N 3.33Å; L64-H66 PolarHBondContact O-N 3.17Å; H66-K68 VanDerWaalsContact C-N 3.34Å; H66-E69 PolarHBondContact O-N 2.82Å; H66-Q70 PolarHBondContact CD2-NE2 2.94Å; H66-Q70 VanDerWaalsContact CD2-NE2 3.3Å; H66-Q70 PolarHBondContact NE2-NE2 3.46Å; H66-Q70 WeakPolarHBondContact O-CG 3.41Å; H66-Q70 PolarHBondContact O-N 3.3Å
67K98.4Very high98.3Very high136 Ų136104.7 Ų104.759%0.59153%0.532SS*.Hα-helixtrans-65-39176.5-69-73.6-179.1175.80111.7Q63 L64 E65 Q70 L71Q63-K67 WeakPolarHBondContact O-CB 3.2Å; Q63-K67 WeakPolarHBondContact O-CG 3.49Å; Q63-K67 PolarHBondContact O-N 3.46Å; L64-K67 PolarHBondContact O-N 2.97Å; E65-K67 PolarHBondContact O-N 3.47Å; K67-Q70 PolarHBondContact O-N 3.45Å; K67-L71 WeakPolarHBondContact O-CB 3.38Å; K67-L71 PolarHBondContact O-N 3.28Å
68K98.6Very high98.3Very high113 Ų113105 Ų10549%0.49153%0.533SS..Hα-helixtrans-65.7-39.9175.6176.1179.6155.3-130.40112L64 E65 H66 L71 T72L64-K68 VanDerWaalsContact O-CB 3.3Å; L64-K68 WeakPolarHBondContact O-CB 3.27Å; L64-K68 PolarHBondContact O-N 2.98Å; E65-K68 WeakPolarHBondContact O-CB 3.3Å; E65-K68 PolarHBondContact O-N 2.98Å; E65-K68 IonicContact OE1-NZ 3.61Å; E65-K68 PolarHBondContact OE1-NZ 2.89Å; E65-K68 IonicContact OE2-NZ 3.5Å; E65-K68 PolarHBondContact OE2-NZ 3.25Å; E65-K68 VanDerWaalsContact OE2-NZ 3.13Å; H66-K68 VanDerWaalsContact C-N 3.34Å; K68-L71 PolarHBondContact O-N 3.18Å; K68-T72 WeakPolarHBondContact O-CB 3.43Å; K68-T72 PolarHBondContact O-N 3.17Å; K68-T72 PolarHBondContact O-OG1 3.37Å
69E98.5Very high98.3Very high125 Ų125105 Ų10558%0.58453%0.53SS*.Hα-helixtrans-63.7-48.3174.4-174.1-176.1-17100110.9E65 H66 L71 T72 K73E65-E69 WeakPolarHBondContact O-CB 3.49Å; E65-E69 PolarHBondContact O-N 2.93Å; H66-E69 PolarHBondContact O-N 2.82Å; E69-L71 VanDerWaalsContact C-N 3.29Å; E69-L71 PolarHBondContact O-N 2.95Å; E69-T72 PolarHBondContact O-N 3.42Å; E69-K73 WeakPolarHBondContact O-CB 3.5Å; E69-K73 PolarHBondContact O-N 3.3Å
70Q98.6Very high98.4Very high101 Ų101106.1 Ų106.147%0.47253%0.529SS..Hα-helixtrans-57.2-43.9175.6-74-170.642.800112H66 K67 K73 S74H66-Q70 PolarHBondContact CD2-NE2 2.94Å; H66-Q70 VanDerWaalsContact CD2-NE2 3.3Å; H66-Q70 PolarHBondContact NE2-NE2 3.46Å; H66-Q70 WeakPolarHBondContact O-CG 3.41Å; H66-Q70 PolarHBondContact O-N 3.3Å; K67-Q70 PolarHBondContact O-N 3.45Å; Q70-K73 PolarHBondContact O-N 3.44Å; Q70-S74 WeakPolarHBondContact O-CB 3.28Å; Q70-S74 PolarHBondContact O-N 3.42Å
71L98.6Very high98.4Very high100 Ų100106.8 Ų106.852%0.52453%0.533SS..Hα-helixtrans-62.9-48.8178.2-175.262.2000111.1K67 K68 E69 K73 S74 Y75K67-L71 WeakPolarHBondContact O-CB 3.38Å; K67-L71 PolarHBondContact O-N 3.28Å; K68-L71 PolarHBondContact O-N 3.18Å; E69-L71 VanDerWaalsContact C-N 3.29Å; E69-L71 PolarHBondContact O-N 2.95Å; L71-K73 VanDerWaalsContact C-N 3.31Å; L71-K73 PolarHBondContact O-N 2.9Å; L71-S74 PolarHBondContact O-N 2.86Å; L71-S74 VanDerWaalsContact O-N 3.17Å; L71-Y75 HydrophobicContact CD1-CD2 3.87Å; L71-Y75 HydrophobicContact CD1-CE2 3.48Å; L71-Y75 VanDerWaalsContact CD1-CE2 3.48Å; L71-Y75 HydrophobicContact CD2-CE2 4.24Å; L71-Y75 HydrophobicContact CG-CD2 3.82Å; L71-Y75 HydrophobicContact CG-CE2 3.68Å; L71-Y75 VanDerWaalsContact O-CD2 3.28Å; L71-Y75 WeakPolarHBondContact O-CD2 3.39Å; L71-Y75 PolarHBondContact O-N 3.46Å
72T98.5Very high98.4Very high89 Ų89106.6 Ų106.655%0.54653%0.53SS..Hα-helixtrans-57.5-45.1177.2-56.30000111.2K68 E69 S74 Y75 S76K68-T72 WeakPolarHBondContact O-CB 3.43Å; K68-T72 PolarHBondContact O-N 3.17Å; K68-T72 PolarHBondContact O-OG1 3.37Å; E69-T72 PolarHBondContact O-N 3.42Å; T72-S74 PolarHBondContact O-N 2.83Å; T72-Y75 PolarHBondContact O-N 3.25Å; T72-S76 PolarHBondContact O-N 2.78Å
73K98.5Very high98.4Very high160 Ų160107.7 Ų107.770%0.69653%0.529SS*.Hα-helixtrans-61.4-43.3176.8-174.3178-178.7177.20111.9E69 Q70 L71 Y75 S76 C77E69-K73 WeakPolarHBondContact O-CB 3.5Å; E69-K73 PolarHBondContact O-N 3.3Å; Q70-K73 PolarHBondContact O-N 3.44Å; L71-K73 VanDerWaalsContact C-N 3.31Å; L71-K73 PolarHBondContact O-N 2.9Å; K73-Y75 VanDerWaalsContact C-N 3.33Å; K73-Y75 PolarHBondContact O-N 3.35Å; K73-S76 PolarHBondContact O-N 3.13Å; K73-C77 WeakPolarHBondContact O-CB 3.36Å; K73-C77 PolarHBondContact O-N 3.31Å
74S98.5Very high98.4Very high78 Ų78105.3 Ų105.355%0.54553%0.526SS..Hα-helixtrans-63.6-39.4177-168.80000111.9Q70 L71 T72 L78Q70-S74 WeakPolarHBondContact O-CB 3.28Å; Q70-S74 PolarHBondContact O-N 3.42Å; L71-S74 PolarHBondContact O-N 2.86Å; L71-S74 VanDerWaalsContact O-N 3.17Å; T72-S74 PolarHBondContact O-N 2.83Å; S74-L78 WeakPolarHBondContact O-CB 3.43Å; S74-L78 PolarHBondContact O-N 3.37Å
75Y98.7Very high98.4Very high148 Ų148105.9 Ų105.958%0.5852%0.52SS*.Hα-helixtrans-66.8-42.6175.2-86.5-70.7000112.3L71 T72 K73 L78 Q79L71-Y75 HydrophobicContact CD1-CD2 3.87Å; L71-Y75 HydrophobicContact CD1-CE2 3.48Å; L71-Y75 VanDerWaalsContact CD1-CE2 3.48Å; L71-Y75 HydrophobicContact CD2-CE2 4.24Å; L71-Y75 HydrophobicContact CG-CD2 3.82Å; L71-Y75 HydrophobicContact CG-CE2 3.68Å; L71-Y75 VanDerWaalsContact O-CD2 3.28Å; L71-Y75 WeakPolarHBondContact O-CD2 3.39Å; L71-Y75 PolarHBondContact O-N 3.46Å; T72-Y75 PolarHBondContact O-N 3.25Å; K73-Y75 VanDerWaalsContact C-N 3.33Å; K73-Y75 PolarHBondContact O-N 3.35Å; Y75-L78 PolarHBondContact O-N 2.99Å; Y75-Q79 WeakPolarHBondContact O-CB 3.33Å; Y75-Q79 PolarHBondContact O-N 2.76Å
76S98.4Very high98.4Very high54 Ų54105.1 Ų105.138%0.37852%0.517SS..Hα-helixtrans-58.9-49.2175.2-1670000111.2T72 K73 L78 Q79 E80T72-S76 PolarHBondContact O-N 2.78Å; K73-S76 PolarHBondContact O-N 3.13Å; S76-L78 VanDerWaalsContact C-N 3.32Å; S76-L78 PolarHBondContact O-N 3.31Å; S76-Q79 WeakPolarHBondContact O-CB 3.47Å; S76-Q79 PolarHBondContact O-N 2.93Å; S76-Q79 VanDerWaalsContact O-N 3.12Å; S76-E80 WeakPolarHBondContact O-CG 3.46Å; S76-E80 PolarHBondContact O-N 2.98Å; S76-E80 PolarHBondContact OG-OE1 3.49Å
77C98.3Very high98.4Very high60 Ų60106.7 Ų106.741%0.40553%0.528SS..Hα-helixtrans-61.7-40.6178.7-178.80000112K73 Q79 N81K73-C77 WeakPolarHBondContact O-CB 3.36Å; K73-C77 PolarHBondContact O-N 3.31Å; C77-Q79 VanDerWaalsContact C-N 3.35Å; C77-N81 WeakPolarHBondContact O-CB 3.5Å; C77-N81 VanDerWaalsContact O-CG 3.23Å; C77-N81 PolarHBondContact O-N 3.2Å; C77-N81 PolarHBondContact O-ND2 2.89Å
78L98.6Very high98.3Very high108 Ų108109.6 Ų109.657%0.56554%0.535SS*.Hα-helixtrans-62.2-43.9174.717862.2000111.4S74 Y75 S76 N81 F82S74-L78 WeakPolarHBondContact O-CB 3.43Å; S74-L78 PolarHBondContact O-N 3.37Å; Y75-L78 PolarHBondContact O-N 2.99Å; S76-L78 VanDerWaalsContact C-N 3.32Å; S76-L78 PolarHBondContact O-N 3.31Å; L78-N81 PolarHBondContact O-N 3.4Å; L78-F82 VanDerWaalsContact O-CB 3.28Å; L78-F82 WeakPolarHBondContact O-CB 3.29Å; L78-F82 PolarHBondContact O-N 3.37Å
79Q98.5Very high98.1Very high115 Ų115108.6 Ų108.654%0.53753%0.531SS..Hα-helixtrans-61.7-49.3178.2179.7176.3-15.300111.3Y75 S76 C77 N81 F82 E83Y75-Q79 WeakPolarHBondContact O-CB 3.33Å; Y75-Q79 PolarHBondContact O-N 2.76Å; S76-Q79 WeakPolarHBondContact O-CB 3.47Å; S76-Q79 PolarHBondContact O-N 2.93Å; S76-Q79 VanDerWaalsContact O-N 3.12Å; C77-Q79 VanDerWaalsContact C-N 3.35Å; Q79-N81 VanDerWaalsContact C-N 3.33Å; Q79-N81 PolarHBondContact O-N 3.25Å; Q79-F82 WeakPolarHBondContact O-CB 3.49Å; Q79-F82 PolarHBondContact O-N 3.28Å; Q79-F82 VanDerWaalsContact O-N 3.14Å; Q79-E83 HydrophobicContact CG-CG 4.47Å; Q79-E83 WeakPolarHBondContact CG-OE1 3.39Å; Q79-E83 PolarHBondContact NE2-OE1 3.03Å; Q79-E83 WeakPolarHBondContact O-CG 3.33Å; Q79-E83 PolarHBondContact O-N 2.93Å
80E98.5Very high97.8Very high113 Ų113106.3 Ų106.353%0.52853%0.528SS..Hα-helixtrans-58-45.3177.1-71.2164-145.300111.7S76 F82 E83 S84S76-E80 WeakPolarHBondContact O-CG 3.46Å; S76-E80 PolarHBondContact O-N 2.98Å; S76-E80 PolarHBondContact OG-OE1 3.49Å; E80-F82 VanDerWaalsContact C-N 3.34Å; E80-F82 PolarHBondContact O-N 2.98Å; E80-E83 PolarHBondContact O-N 3.36Å; E80-S84 WeakPolarHBondContact O-CB 3.37Å; E80-S84 PolarHBondContact O-N 2.91Å
81N98.3Very high97.4Very high99 Ų99107.9 Ų107.953%0.52953%0.534SS..Hα-helixtrans-64.2-39.8176.8-75.2-26.9000111.9C77 L78 Q79 Y85C77-N81 WeakPolarHBondContact O-CB 3.5Å; C77-N81 VanDerWaalsContact O-CG 3.23Å; C77-N81 PolarHBondContact O-N 3.2Å; C77-N81 PolarHBondContact O-ND2 2.89Å; L78-N81 PolarHBondContact O-N 3.4Å; Q79-N81 VanDerWaalsContact C-N 3.33Å; Q79-N81 PolarHBondContact O-N 3.25Å; N81-Y85 VanDerWaalsContact O-CB 3.29Å; N81-Y85 WeakPolarHBondContact O-CB 3.38Å; N81-Y85 PolarHBondContact O-N 3.4Å
82F98.4Very high96.9Very high118 Ų118108.3 Ų108.352%0.51854%0.536SS..Hα-helixtrans-66-44.1177.4-178.1-101000111.5L78 Q79 E80 Y85 Q86L78-F82 VanDerWaalsContact O-CB 3.28Å; L78-F82 WeakPolarHBondContact O-CB 3.29Å; L78-F82 PolarHBondContact O-N 3.37Å; Q79-F82 WeakPolarHBondContact O-CB 3.49Å; Q79-F82 PolarHBondContact O-N 3.28Å; Q79-F82 VanDerWaalsContact O-N 3.14Å; E80-F82 VanDerWaalsContact C-N 3.34Å; E80-F82 PolarHBondContact O-N 2.98Å; F82-Y85 WeakPolarHBondContact O-CB 3.44Å; F82-Y85 PolarHBondContact O-N 3.4Å; F82-Q86 HydrophobicContact CD1-CG 4.07Å; F82-Q86 HydrophobicContact CE1-CG 3.7Å; F82-Q86 HydrophobicContact CE2-CG 4.18Å; F82-Q86 HydrophobicContact CG-CG 4.48Å; F82-Q86 HydrophobicContact CZ-CG 3.75Å; F82-Q86 WeakPolarHBondContact O-CB 3.44Å; F82-Q86 VanDerWaalsContact O-CG 3.22Å; F82-Q86 WeakPolarHBondContact O-CG 3.28Å; F82-Q86 PolarHBondContact O-N 2.92Å
83E98.4Very high96.3Very high105 Ų105107.8 Ų107.849%0.49153%0.53SS..Hα-helixtrans-62-45.1175.7-72.2174.6-169.800111.4Q79 E80 Y85 Q86 L87Q79-E83 HydrophobicContact CG-CG 4.47Å; Q79-E83 WeakPolarHBondContact CG-OE1 3.39Å; Q79-E83 PolarHBondContact NE2-OE1 3.03Å; Q79-E83 WeakPolarHBondContact O-CG 3.33Å; Q79-E83 PolarHBondContact O-N 2.93Å; E80-E83 PolarHBondContact O-N 3.36Å; E83-Y85 PolarHBondContact O-N 3.43Å; E83-Q86 PolarHBondContact O-N 3.41Å; E83-L87 WeakPolarHBondContact O-CB 3.44Å; E83-L87 PolarHBondContact O-N 2.9Å
84S98.2Very high95.5Very high76 Ų76106.9 Ų106.953%0.53153%0.528SS..Hα-helixtrans-60-44.1174.6-179.70000112.2E80 L87 R88E80-S84 WeakPolarHBondContact O-CB 3.37Å; E80-S84 PolarHBondContact O-N 2.91Å; S84-L87 PolarHBondContact O-N 3.12Å; S84-R88 WeakPolarHBondContact O-CB 3.46Å; S84-R88 PolarHBondContact O-N 3.31Å
85Y98.1Very high94.5Very high132 Ų132109.9 Ų109.952%0.51853%0.531SS..Hα-helixtrans-60.7-48.1174.5166.9-98.4000111.7N81 F82 E83 L87 R88 K89N81-Y85 VanDerWaalsContact O-CB 3.29Å; N81-Y85 WeakPolarHBondContact O-CB 3.38Å; N81-Y85 PolarHBondContact O-N 3.4Å; F82-Y85 WeakPolarHBondContact O-CB 3.44Å; F82-Y85 PolarHBondContact O-N 3.4Å; E83-Y85 PolarHBondContact O-N 3.43Å; Y85-L87 VanDerWaalsContact C-N 3.32Å; Y85-L87 PolarHBondContact O-N 3.47Å; Y85-R88 PolarHBondContact O-N 2.87Å; Y85-K89 HydrophobicContact CE1-CD 4.3Å; Y85-K89 WeakPolarHBondContact O-CB 3.32Å; Y85-K89 PolarHBondContact O-N 2.86Å
86Q97.8Very high93.2Very high81 Ų81106 Ų10638%0.37953%0.525SS..Hα-helixtrans-62.2-40.5180-72.7-70.995.200111.6F82 E83 K89 S90F82-Q86 HydrophobicContact CD1-CG 4.07Å; F82-Q86 HydrophobicContact CE1-CG 3.7Å; F82-Q86 HydrophobicContact CE2-CG 4.18Å; F82-Q86 HydrophobicContact CG-CG 4.48Å; F82-Q86 HydrophobicContact CZ-CG 3.75Å; F82-Q86 WeakPolarHBondContact O-CB 3.44Å; F82-Q86 VanDerWaalsContact O-CG 3.22Å; F82-Q86 WeakPolarHBondContact O-CG 3.28Å; F82-Q86 PolarHBondContact O-N 2.92Å; E83-Q86 PolarHBondContact O-N 3.41Å; Q86-K89 PolarHBondContact O-N 2.89Å; Q86-S90 WeakPolarHBondContact O-CB 3.43Å; Q86-S90 PolarHBondContact O-N 3.48Å
87L97.2Very high91.6Very high130 Ų130105.6 Ų105.668%0.68153%0.53SS*.Hα-helixtrans-62.4-46.5174.2-179.363.6000111.4E83 S84 Y85 K89 S90 K91E83-L87 WeakPolarHBondContact O-CB 3.44Å; E83-L87 PolarHBondContact O-N 2.9Å; S84-L87 PolarHBondContact O-N 3.12Å; Y85-L87 VanDerWaalsContact C-N 3.32Å; Y85-L87 PolarHBondContact O-N 3.47Å; L87-K89 VanDerWaalsContact C-N 3.34Å; L87-K89 PolarHBondContact O-N 3.26Å; L87-S90 PolarHBondContact O-N 3.43Å; L87-K91 WeakPolarHBondContact O-CB 3.34Å; L87-K91 PolarHBondContact O-N 3.25Å
88R96.6Very high89.7Confident196 Ų196105.9 Ų105.974%0.7454%0.537SS*.Hα-helixtrans-63.9-40.7178.2-173.9174.9-1801750.1111.8S84 Y85 K91 L92S84-R88 WeakPolarHBondContact O-CB 3.46Å; S84-R88 PolarHBondContact O-N 3.31Å; Y85-R88 PolarHBondContact O-N 2.87Å; R88-K91 PolarHBondContact O-N 2.85Å; R88-L92 WeakPolarHBondContact O-CB 3.22Å; R88-L92 PolarHBondContact O-N 3.14Å
89K94.6Very high88.2Confident93 Ų93105.5 Ų105.540%0.40454%0.539SS..Hα-helixtrans-61.7-52.4175.5-178.5-177.2173.1-173.30110.7Y85 Q86 L87 K91 L92 D93Y85-K89 HydrophobicContact CE1-CD 4.3Å; Y85-K89 WeakPolarHBondContact O-CB 3.32Å; Y85-K89 PolarHBondContact O-N 2.86Å; Q86-K89 PolarHBondContact O-N 2.89Å; L87-K89 VanDerWaalsContact C-N 3.34Å; L87-K89 PolarHBondContact O-N 3.26Å; K89-K91 VanDerWaalsContact C-N 3.28Å; K89-K91 PolarHBondContact O-N 2.76Å; K89-L92 CarbonylContact O-C 3.6Å; K89-L92 WeakPolarHBondContact O-CA 3.43Å; K89-L92 WeakPolarHBondContact O-CB 3.38Å; K89-L92 PolarHBondContact O-N 2.88Å; K89-D93 WeakPolarHBondContact CE-OD2 3.43Å; K89-D93 WeakPolarHBondContact CG-OD2 3.45Å; K89-D93 WeakPolarHBondContact O-CB 3.48Å; K89-D93 PolarHBondContact O-N 3.26Å
90S91.6Very high87.6Confident76 Ų76101.6 Ų101.653%0.53153%0.525SS..Hα-helixtrans-56.9-41.7177.3179.50000112.1Q86 L87 L92 D93 H94Q86-S90 WeakPolarHBondContact O-CB 3.43Å; Q86-S90 PolarHBondContact O-N 3.48Å; L87-S90 PolarHBondContact O-N 3.43Å; S90-L92 VanDerWaalsContact C-N 3.34Å; S90-L92 PolarHBondContact O-N 3.03Å; S90-D93 PolarHBondContact O-N 3.45Å; S90-H94 VanDerWaalsContact O-CB 3.32Å; S90-H94 WeakPolarHBondContact O-CB 3.37Å; S90-H94 PolarHBondContact O-N 3.38Å
91K91.1Very high87.1Confident134 Ų13499.6 Ų99.658%0.58352%0.517SS*.Hα-helixtrans-64.3-36.8175.2-173174.6-176.3174.40112.8L87 R88 K89 K95L87-K91 WeakPolarHBondContact O-CB 3.34Å; L87-K91 PolarHBondContact O-N 3.25Å; R88-K91 PolarHBondContact O-N 2.85Å; K89-K91 VanDerWaalsContact C-N 3.28Å; K89-K91 PolarHBondContact O-N 2.76Å; K91-K95 VanDerWaalsContact O-CG 3.31Å; K91-K95 WeakPolarHBondContact O-CG 3.21Å; K91-K95 PolarHBondContact O-N 2.81Å
92L88.9Confident86.6Confident110 Ų11098.9 Ų98.958%0.57651%0.513SS*.Hα-helixtrans-71-47.7176.5-172.2123.3000110.7R88 K89 S90 H94 K95 S96R88-L92 WeakPolarHBondContact O-CB 3.22Å; R88-L92 PolarHBondContact O-N 3.14Å; K89-L92 CarbonylContact O-C 3.6Å; K89-L92 WeakPolarHBondContact O-CA 3.43Å; K89-L92 WeakPolarHBondContact O-CB 3.38Å; K89-L92 PolarHBondContact O-N 2.88Å; S90-L92 VanDerWaalsContact C-N 3.34Å; S90-L92 PolarHBondContact O-N 3.03Å; L92-H94 VanDerWaalsContact C-N 3.31Å; L92-H94 PolarHBondContact O-N 2.93Å; L92-K95 PolarHBondContact O-N 3.05Å; L92-K95 VanDerWaalsContact O-N 3.1Å; L92-S96 PolarHBondContact O-N 3.43Å; L92-S96 PolarHBondContact O-OG 3.28Å
93D84.6Confident86.3Confident77 Ų7797.5 Ų97.541%0.41251%0.51SS..Hα-helixtrans-62-37.4178.5-69.1-14.2000111.6K89 S90 S96 G97K89-D93 WeakPolarHBondContact CE-OD2 3.43Å; K89-D93 WeakPolarHBondContact CG-OD2 3.45Å; K89-D93 WeakPolarHBondContact O-CB 3.48Å; K89-D93 PolarHBondContact O-N 3.26Å; S90-D93 PolarHBondContact O-N 3.45Å; D93-S96 WeakPolarHBondContact CA-OG 3.34Å; D93-S96 PolarHBondContact O-OG 3.36Å; D93-G97 WeakPolarHBondContact O-CA 3.43Å; D93-G97 PolarHBondContact O-N 3.08Å
94H81.8Confident86Confident141 Ų14196.8 Ų96.865%0.65351%0.509SS*.Hα-helixtrans-66-40.9173.7-174.667.5000111.7S90 L92 A98S90-H94 VanDerWaalsContact O-CB 3.32Å; S90-H94 WeakPolarHBondContact O-CB 3.37Å; S90-H94 PolarHBondContact O-N 3.38Å; L92-H94 VanDerWaalsContact C-N 3.31Å; L92-H94 PolarHBondContact O-N 2.93Å; H94-A98 WeakPolarHBondContact O-CB 3.31Å; H94-A98 PolarHBondContact O-N 3.36Å
95K76.9Confident85.9Confident141 Ų14194 Ų9461%0.61349%0.488SS*.Hα-helixtrans-70.1-40.1177.8-74.7-179.5174.2-1600112.9K91 L92K91-K95 VanDerWaalsContact O-CG 3.31Å; K91-K95 WeakPolarHBondContact O-CG 3.21Å; K91-K95 PolarHBondContact O-N 2.81Å; L92-K95 PolarHBondContact O-N 3.05Å; L92-K95 VanDerWaalsContact O-N 3.1Å
96S72.6Confident85.7Confident66 Ų6690.2 Ų90.246%0.46248%0.484SS..Hα-helixtrans-76.9-33.9177.857.90000112.1L92 D93 T99L92-S96 PolarHBondContact O-N 3.43Å; L92-S96 PolarHBondContact O-OG 3.28Å; D93-S96 WeakPolarHBondContact CA-OG 3.34Å; D93-S96 PolarHBondContact O-OG 3.36Å; S96-T99 CarbonylContact O-C 3.49Å
97G64.5Low85.7Confident46 Ų4691.5 Ų91.547%0.47449%0.493SS..Hα-helixtrans-77.9-30.5178.300000114.4D93 T99D93-G97 WeakPolarHBondContact O-CA 3.43Å; D93-G97 PolarHBondContact O-N 3.08Å; G97-T99 PolarHBondContact O-N 2.96Å
98A58.5Low85.7Confident66 Ų6687.2 Ų87.255%0.54547%0.471SS..THydrogen-bonded Turntrans-63.9-22.4177.400000113.3H94H94-A98 WeakPolarHBondContact O-CB 3.31Å; H94-A98 PolarHBondContact O-N 3.36Å
99T66.8Low85.8Confident100 Ų10082 Ų8261%0.61346%0.455SS*.THydrogen-bonded Turntrans-141.770.417553.90000108.8S96 G97S96-T99 CarbonylContact O-C 3.49Å; G97-T99 PolarHBondContact O-N 2.96Å
100S85.5Confident85.9Confident34 Ų3480.4 Ų80.424%0.23846%0.459CS..  trans-59.5143.8170.883.30000109.1D102 I103 L104S100-D102 PolarHBondContact O-N 2.79Å; S100-I103 PolarHBondContact O-N 3.49Å; S100-I103 WeakPolarHBondContact OG-CD1 3.4Å; S100-I103 WeakPolarHBondContact OG-CG1 3.49Å; S100-I103 PolarHBondContact OG-N 3.19Å; S100-I103 VanDerWaalsContact OG-N 3.17Å; S100-L104 PolarHBondContact O-N 3.44Å
101L88.1Confident86.3Confident70 Ų7080.4 Ų80.437%0.36645%0.451SS..Hα-helixtrans-58.7-32.4-179-159.969.8000111.3L104 L105 L157 I160 V161L101-L104 PolarHBondContact O-N 3.42Å; L101-L105 WeakPolarHBondContact O-CB 3.32Å; L101-L105 PolarHBondContact O-N 3.43Å; L101-L157 HydrophobicContact CD1-CD1 3.43Å; L101-L157 VanDerWaalsContact CD1-CD1 3.43Å; L101-L157 HydrophobicContact CD2-CD1 4.27Å; L101-L157 HydrophobicContact CG-CD1 3.75Å; L101-I160 HydrophobicContact CD2-CB 4.4Å; L101-I160 HydrophobicContact CD2-CG2 3.78Å; L101-V161 HydrophobicContact CB-CG2 3.99Å; L101-V161 HydrophobicContact CD2-CB 4.2Å; L101-V161 HydrophobicContact CD2-CG2 3.37Å; L101-V161 HydrophobicContact CG-CG2 3.47Å; L101-V161 VanDerWaalsContact CG-CG2 3.47Å
102D88.9Confident86.6Confident84 Ų8474.2 Ų74.245%0.44943%0.425SS..Hα-helixtrans-65-44.3174.8-58.3-57.4000112.5S100 L104 L105 A106 V161S100-D102 PolarHBondContact O-N 2.79Å; D102-L104 VanDerWaalsContact C-N 3.32Å; D102-L104 PolarHBondContact O-N 3.42Å; D102-L105 PolarHBondContact O-N 2.9Å; D102-A106 PolarHBondContact O-N 3.27Å; D102-V161 WeakPolarHBondContact OD1-CG1 3.43Å
103I91.9Very high87Confident89 Ų8971.7 Ų71.746%0.45642%0.42SS..Hα-helixtrans-63-43.9176-68.6163.8000109.7S100 L105 A106 L107S100-I103 PolarHBondContact O-N 3.49Å; S100-I103 WeakPolarHBondContact OG-CD1 3.4Å; S100-I103 WeakPolarHBondContact OG-CG1 3.49Å; S100-I103 PolarHBondContact OG-N 3.19Å; S100-I103 VanDerWaalsContact OG-N 3.17Å; I103-L105 VanDerWaalsContact C-N 3.33Å; I103-L105 PolarHBondContact O-N 2.88Å; I103-A106 PolarHBondContact O-N 2.95Å; I103-L107 HydrophobicContact CG2-CD1 3.94Å; I103-L107 HydrophobicContact CG2-CG 4.37Å; I103-L107 WeakPolarHBondContact O-CB 3.32Å; I103-L107 VanDerWaalsContact O-CG 3.31Å; I103-L107 WeakPolarHBondContact O-CG 3.37Å; I103-L107 PolarHBondContact O-N 2.85Å
104L92.7Very high87.7Confident90 Ų9072.9 Ų72.947%0.47142%0.422SS..Hα-helixtrans-63.8-39.7178.8-173.463.4000111.9S100 L101 D102 L108 L157S100-L104 PolarHBondContact O-N 3.44Å; L101-L104 PolarHBondContact O-N 3.42Å; D102-L104 VanDerWaalsContact C-N 3.32Å; D102-L104 PolarHBondContact O-N 3.42Å; L104-L108 VanDerWaalsContact O-CB 3.3Å; L104-L108 WeakPolarHBondContact O-CB 3.47Å; L104-L108 PolarHBondContact O-N 2.87Å; L104-L157 HydrophobicContact CD2-CD2 4.46Å; L104-L157 HydrophobicContact CG-CD2 4.27Å
105L94.6Very high88.5Confident18 Ų1866.4 Ų66.49%0.09439%0.392CS..Hα-helixtrans-62.5-47175.3179.461.4000111.4L101 D102 I103 L107 L108 Q109 I154 L157 Q158 V161L101-L105 WeakPolarHBondContact O-CB 3.32Å; L101-L105 PolarHBondContact O-N 3.43Å; D102-L105 PolarHBondContact O-N 2.9Å; I103-L105 VanDerWaalsContact C-N 3.33Å; I103-L105 PolarHBondContact O-N 2.88Å; L105-L107 PolarHBondContact O-N 2.91Å; L105-L108 PolarHBondContact O-N 3.46Å; L105-Q109 HydrophobicContact CD1-CG 4.38Å; L105-Q109 WeakPolarHBondContact O-CB 3.32Å; L105-Q109 VanDerWaalsContact O-CG 3.31Å; L105-Q109 WeakPolarHBondContact O-CG 3.48Å; L105-Q109 PolarHBondContact O-N 3.32Å; L105-I154 HydrophobicContact CD1-CG2 4.03Å; L105-L157 HydrophobicContact CB-CD2 3.95Å; L105-L157 HydrophobicContact CB-CG 4.23Å; L105-L157 HydrophobicContact CD1-CB 4.09Å; L105-L157 HydrophobicContact CD1-CD2 4.05Å; L105-L157 HydrophobicContact CD1-CG 4.05Å; L105-Q158 HydrophobicContact CD1-CB 4.32Å; L105-Q158 HydrophobicContact CD2-CB 4.12Å; L105-Q158 HydrophobicContact CD2-CG 4.41Å; L105-V161 HydrophobicContact CD2-CG2 4.19Å
106A95.5Very high89.4Confident52 Ų5263.1 Ų63.143%0.4338%0.378SS..Hα-helixtrans-61.7-44.1178.200000112.1D102 I103 L108 Q109 A110D102-A106 PolarHBondContact O-N 3.27Å; I103-A106 PolarHBondContact O-N 2.95Å; A106-L108 PolarHBondContact O-N 2.94Å; A106-Q109 PolarHBondContact O-N 3.22Å; A106-A110 PolarHBondContact O-N 3.48Å
107L96.6Very high90.7Very high109 Ų10965.4 Ų65.457%0.57138%0.382SS*.Hα-helixtrans-62.3-42.9175.5-71.5172.7000111.7I103 L105 Q109 A110 E111I103-L107 HydrophobicContact CG2-CD1 3.94Å; I103-L107 HydrophobicContact CG2-CG 4.37Å; I103-L107 WeakPolarHBondContact O-CB 3.32Å; I103-L107 VanDerWaalsContact O-CG 3.31Å; I103-L107 WeakPolarHBondContact O-CG 3.37Å; I103-L107 PolarHBondContact O-N 2.85Å; L105-L107 PolarHBondContact O-N 2.91Å; L107-Q109 VanDerWaalsContact C-N 3.33Å; L107-Q109 PolarHBondContact O-N 3.31Å; L107-A110 PolarHBondContact O-N 3.11Å; L107-E111 WeakPolarHBondContact O-CB 3.31Å; L107-E111 PolarHBondContact O-N 3.47Å
108L97.3Very high92.3Very high40 Ų4066.2 Ų66.221%0.20937%0.373CS..Hα-helixtrans-67.4-35178.6-172.564.1000111.9L104 L105 A106 G112 R150 K153 I154 L157L104-L108 VanDerWaalsContact O-CB 3.3Å; L104-L108 WeakPolarHBondContact O-CB 3.47Å; L104-L108 PolarHBondContact O-N 2.87Å; L105-L108 PolarHBondContact O-N 3.46Å; A106-L108 PolarHBondContact O-N 2.94Å; L108-G112 PolarHBondContact O-N 2.88Å; L108-R150 HydrophobicContact CD1-CG 4.43Å; L108-K153 HydrophobicContact CD2-CB 3.97Å; L108-I154 HydrophobicContact CB-CG1 4.35Å; L108-I154 HydrophobicContact CD2-CG1 3.83Å; L108-I154 HydrophobicContact CG-CD1 4.43Å; L108-I154 HydrophobicContact CG-CG1 3.71Å; L108-L157 HydrophobicContact CD2-CD2 4.23Å
109Q98.1Very high94.1Very high85 Ų8563.1 Ų63.140%0.39735%0.348SS..Hα-helixtrans-64.7-45.1172.9-76.5173.1-21.900111.8L105 A106 L107 E111 G112 A113 I154L105-Q109 HydrophobicContact CD1-CG 4.38Å; L105-Q109 WeakPolarHBondContact O-CB 3.32Å; L105-Q109 VanDerWaalsContact O-CG 3.31Å; L105-Q109 WeakPolarHBondContact O-CG 3.48Å; L105-Q109 PolarHBondContact O-N 3.32Å; A106-Q109 PolarHBondContact O-N 3.22Å; L107-Q109 VanDerWaalsContact C-N 3.33Å; L107-Q109 PolarHBondContact O-N 3.31Å; Q109-E111 PolarHBondContact O-N 3.26Å; Q109-G112 WeakPolarHBondContact O-CA 3.32Å; Q109-G112 PolarHBondContact O-N 3.27Å; Q109-G112 VanDerWaalsContact O-N 3.14Å; Q109-A113 PolarHBondContact O-N 2.85Å; Q109-I154 HydrophobicContact CG-CD1 4.22Å; Q109-I154 HydrophobicContact CG-CG1 4.24Å; Q109-I154 HydrophobicContact CG-CG2 3.72Å
110A98.4Very high95.5Very high60 Ų6064.4 Ų64.450%0.49635%0.347SS..Hα-helixtrans-60.5-45.9175.800000111.7A106 L107 G112 A113 K114A106-A110 PolarHBondContact O-N 3.48Å; L107-A110 PolarHBondContact O-N 3.11Å; A110-G112 VanDerWaalsContact C-N 3.3Å; A110-G112 PolarHBondContact O-N 3.29Å; A110-A113 PolarHBondContact O-N 3.07Å; A110-K114 WeakPolarHBondContact O-CB 3.26Å; A110-K114 PolarHBondContact O-N 3.43Å
111E98.2Very high96.1Very high76 Ų7666.6 Ų66.636%0.35536%0.356SS..Hα-helixtrans-65.6-32173.9-81.6-65138.500112.8L107 Q109 I115 R150L107-E111 WeakPolarHBondContact O-CB 3.31Å; L107-E111 PolarHBondContact O-N 3.47Å; Q109-E111 PolarHBondContact O-N 3.26Å; E111-I115 PolarHBondContact O-N 3.45Å; E111-I115 VanDerWaalsContact O-N 3.17Å; E111-R150 PolarHBondContact O-NH1 3.32Å; E111-R150 IonicContact OE2-CZ 3.13Å; E111-R150 IonicContact OE2-NH1 2.67Å; E111-R150 PolarHBondContact OE2-NH1 3Å; E111-R150 IonicContact OE2-NH2 2.87Å; E111-R150 PolarHBondContact OE2-NH2 2.94Å
112G98.1Very high96.5Very high5 Ų564.4 Ų64.45%0.05234%0.344CS..Hα-helixtrans-64.3-49.7172.700000112.1L108 Q109 A110 I115 E116L108-G112 PolarHBondContact O-N 2.88Å; Q109-G112 WeakPolarHBondContact O-CA 3.32Å; Q109-G112 PolarHBondContact O-N 3.27Å; Q109-G112 VanDerWaalsContact O-N 3.14Å; A110-G112 VanDerWaalsContact C-N 3.3Å; A110-G112 PolarHBondContact O-N 3.29Å; G112-I115 WeakPolarHBondContact O-CG2 3.1Å; G112-I115 PolarHBondContact O-N 3.44Å; G112-E116 WeakPolarHBondContact O-CG 3.11Å; G112-E116 PolarHBondContact O-N 2.96Å; G112-E116 VanDerWaalsContact O-N 3.12Å
113A98.3Very high96.9Very high56 Ų5661.7 Ų61.746%0.46333%0.333SS..Hα-helixtrans-61.8-44176.500000111.5Q109 A110 I115 E116 E117Q109-A113 PolarHBondContact O-N 2.85Å; A110-A113 PolarHBondContact O-N 3.07Å; A113-I115 PolarHBondContact O-N 3.43Å; A113-E116 WeakPolarHBondContact O-CB 3.35Å; A113-E116 PolarHBondContact O-N 3.28Å; A113-E116 VanDerWaalsContact O-N 3.13Å; A113-E117 PolarHBondContact O-N 2.85Å
114K98.4Very high97.2Very high103 Ų10361 Ų6145%0.44833%0.33SS..Hα-helixtrans-56.9-45.3177.2-177.5-178.1175.2-174.30112.7A110 E116 E118A110-K114 WeakPolarHBondContact O-CB 3.26Å; A110-K114 PolarHBondContact O-N 3.43Å; K114-E116 VanDerWaalsContact C-N 3.33Å; K114-E118 VanDerWaalsContact CE-OE1 3.26Å; K114-E118 WeakPolarHBondContact CE-OE1 3.33Å; K114-E118 WeakPolarHBondContact O-CB 3.48Å; K114-E118 VanDerWaalsContact O-CG 3.31Å; K114-E118 WeakPolarHBondContact O-CG 3.48Å; K114-E118 PolarHBondContact O-N 2.76Å
115I98.2Very high97.3Very high5 Ų558.5 Ų58.53%0.02632%0.321CS..Hα-helixtrans-72.8-28.4179.5-164.963.1000112.1E111 G112 A113 E118 T119 K143 L146 A147E111-I115 PolarHBondContact O-N 3.45Å; E111-I115 VanDerWaalsContact O-N 3.17Å; G112-I115 WeakPolarHBondContact O-CG2 3.1Å; G112-I115 PolarHBondContact O-N 3.44Å; A113-I115 PolarHBondContact O-N 3.43Å; I115-E118 HydrophobicContact CD1-CB 4.33Å; I115-E118 WeakPolarHBondContact CD1-OE2 3.17Å; I115-T119 WeakPolarHBondContact O-CG2 3.41Å; I115-T119 PolarHBondContact O-N 2.89Å; I115-T119 PolarHBondContact O-OG1 3.03Å; I115-K143 HydrophobicContact CD1-CB 4.09Å; I115-K143 HydrophobicContact CD1-CD 4.28Å; I115-K143 HydrophobicContact CD1-CG 4.04Å; I115-L146 HydrophobicContact CD1-CD2 4.37Å; I115-L146 HydrophobicContact CG1-CD2 4.35Å; I115-L146 HydrophobicContact CG1-CG 4.49Å; I115-A147 HydrophobicContact CG1-CB 4.38Å; I115-A147 HydrophobicContact CG2-CB 3.78Å
116E97.3Very high97.5Very high71 Ų7160.9 Ų60.933%0.33233%0.33SS..Hα-helixtrans-65.3-49.1172.9-75.1-177.7173.200110.6G112 A113 K114 E118 T119 E120 A147 R151G112-E116 WeakPolarHBondContact O-CG 3.11Å; G112-E116 PolarHBondContact O-N 2.96Å; G112-E116 VanDerWaalsContact O-N 3.12Å; A113-E116 WeakPolarHBondContact O-CB 3.35Å; A113-E116 PolarHBondContact O-N 3.28Å; A113-E116 VanDerWaalsContact O-N 3.13Å; K114-E116 VanDerWaalsContact C-N 3.33Å; E116-E118 PolarHBondContact O-N 2.8Å; E116-T119 PolarHBondContact O-N 3.28Å; E116-T119 VanDerWaalsContact O-N 3.11Å; E116-T119 PolarHBondContact O-OG1 3.45Å; E116-E120 PolarHBondContact O-N 3.18Å; E116-A147 HydrophobicContact CG-CB 4.35Å; E116-R151 IonicContact OE1-CZ 2.85Å; E116-R151 IonicContact OE1-NE 2.78Å; E116-R151 PolarHBondContact OE1-NE 3.19Å; E116-R151 IonicContact OE1-NH2 2.7Å; E116-R151 PolarHBondContact OE1-NH2 3.48Å
117E98.2Very high97.5Very high115 Ų11564.9 Ų64.954%0.53734%0.344SS..Hα-helixtrans-58.7-45.8173.9-174.5-172.8168.800111.7A113 T119 E120 N121A113-E117 PolarHBondContact O-N 2.85Å; E117-T119 VanDerWaalsContact C-N 3.25Å; E117-T119 PolarHBondContact O-N 2.7Å; E117-E120 PolarHBondContact O-N 3.14Å; E117-E120 VanDerWaalsContact O-N 3.08Å; E117-N121 PolarHBondContact O-N 3.41Å; E117-N121 PolarHBondContact O-ND2 3.41Å
118E97.9Very high97.5Very high62 Ų6265.6 Ų65.629%0.2935%0.348SS..Hα-helixtrans-58.3-36.7175.3-77.3178.1-157.900112.3K114 I115 E116 M122 K143K114-E118 VanDerWaalsContact CE-OE1 3.26Å; K114-E118 WeakPolarHBondContact CE-OE1 3.33Å; K114-E118 WeakPolarHBondContact O-CB 3.48Å; K114-E118 VanDerWaalsContact O-CG 3.31Å; K114-E118 WeakPolarHBondContact O-CG 3.48Å; K114-E118 PolarHBondContact O-N 2.76Å; I115-E118 HydrophobicContact CD1-CB 4.33Å; I115-E118 WeakPolarHBondContact CD1-OE2 3.17Å; E116-E118 PolarHBondContact O-N 2.8Å; E118-M122 WeakPolarHBondContact O-CB 3.2Å; E118-M122 PolarHBondContact O-N 3Å; E118-K143 IonicContact OE2-NZ 3.43Å; E118-K143 PolarHBondContact OE2-NZ 3.49Å
119T97.3Very high97.4Very high1 Ų166.4 Ų66.41%0.00637%0.366CS..Hα-helixtrans-73.7-31.5175.957.80000113I115 E116 E117 A123 Y140 K143 R144I115-T119 WeakPolarHBondContact O-CG2 3.41Å; I115-T119 PolarHBondContact O-N 2.89Å; I115-T119 PolarHBondContact O-OG1 3.03Å; E116-T119 PolarHBondContact O-N 3.28Å; E116-T119 VanDerWaalsContact O-N 3.11Å; E116-T119 PolarHBondContact O-OG1 3.45Å; E117-T119 VanDerWaalsContact C-N 3.25Å; E117-T119 PolarHBondContact O-N 2.7Å; T119-A123 PolarHBondContact O-N 3.42Å; T119-A123 VanDerWaalsContact O-N 3.13Å; T119-Y140 WeakPolarHBondContact O-CE2 3.47Å; T119-K143 HydrophobicContact CG2-CB 3.59Å; T119-R144 PolarHBondContact OG1-NH1 3.49Å
120E97.1Very high97.3Very high127 Ų12768.4 Ų68.459%0.59338%0.38SS*.Hα-helixtrans-69.3-51.5176-172.6168.4-167.400110.6E116 E117 M122 A123 D124E116-E120 PolarHBondContact O-N 3.18Å; E117-E120 PolarHBondContact O-N 3.14Å; E117-E120 VanDerWaalsContact O-N 3.08Å; E120-M122 PolarHBondContact O-N 3.02Å; E120-M122 VanDerWaalsContact O-N 3.14Å; E120-A123 WeakPolarHBondContact O-CA 3.34Å; E120-A123 WeakPolarHBondContact O-CB 3.25Å; E120-A123 PolarHBondContact O-N 2.92Å; E120-D124 PolarHBondContact O-N 3.1Å
121N97.4Very high97.1Very high81 Ų8168 Ų6843%0.43337%0.368SS..Hα-helixtrans-54.9-37.8174.9-67.9-20.1000112.1E117 D124 S125E117-N121 PolarHBondContact O-N 3.41Å; E117-N121 PolarHBondContact O-ND2 3.41Å; N121-D124 PolarHBondContact O-N 3.23Å; N121-S125 WeakPolarHBondContact O-CB 3.42Å; N121-S125 PolarHBondContact O-N 2.93Å; N121-S125 PolarHBondContact O-OG 3.44Å; N121-S125 VanDerWaalsContact O-OG 3.12Å
122M96.6Very high97Very high24 Ų2468.8 Ų68.812%0.11838%0.378CS..Hα-helixtrans-72.9-29.8178.7-157.2160.97100112.9E118 E120 F126 M131 F136 S139 Y140 K143E118-M122 WeakPolarHBondContact O-CB 3.2Å; E118-M122 PolarHBondContact O-N 3Å; E120-M122 PolarHBondContact O-N 3.02Å; E120-M122 VanDerWaalsContact O-N 3.14Å; M122-F126 PolarHBondContact O-N 3.39Å; M122-M131 HydrophobicContact CG-CE 3.65Å; M122-M131 HydrophobicContact CG-SD 3.88Å; M122-F136 HydrophobicContact CG-CD2 4.48Å; M122-S139 WeakPolarHBondContact CE-OG 3.47Å; M122-S139 PolarHBondContact SD-OG 3.29Å; M122-Y140 HydrophobicContact CE-CD2 3.83Å; M122-Y140 HydrophobicContact CE-CG 4.16Å; M122-Y140 VanDerWaalsContact CE-N 3.27Å; M122-K143 HydrophobicContact CE-CD 3.84Å; M122-K143 HydrophobicContact SD-CD 4.1Å
123A96.7Very high96.9Very high26 Ų2673.5 Ų73.522%0.21540%0.402CS..Hα-helixtrans-69.3-43.717100000110.7T119 E120 F126 L127 Y140T119-A123 PolarHBondContact O-N 3.42Å; T119-A123 VanDerWaalsContact O-N 3.13Å; E120-A123 WeakPolarHBondContact O-CA 3.34Å; E120-A123 WeakPolarHBondContact O-CB 3.25Å; E120-A123 PolarHBondContact O-N 2.92Å; A123-F126 WeakPolarHBondContact O-CB 3.25Å; A123-F126 PolarHBondContact O-N 3.49Å; A123-L127 WeakPolarHBondContact O-CG 3.23Å; A123-L127 PolarHBondContact O-N 3.33Å; A123-Y140 HydrophobicContact CB-CE2 4.29Å
124D97.4Very high96.8Very high74 Ų7477.1 Ų77.140%0.39641%0.413SS..Hα-helixtrans-61.7-49.8177.6-67.3-20.5000111.4E120 N121 F126 L127 D128E120-D124 PolarHBondContact O-N 3.1Å; N121-D124 PolarHBondContact O-N 3.23Å; D124-F126 PolarHBondContact O-N 2.84Å; D124-L127 WeakPolarHBondContact O-CA 3.3Å; D124-L127 WeakPolarHBondContact O-CB 3.49Å; D124-L127 PolarHBondContact O-N 3.16Å; D124-D128 PolarHBondContact O-N 3.37Å
125S96.5Very high96.6Very high39 Ų3974.7 Ų74.727%0.27341%0.412SS..Hα-helixtrans-59.8-29.7176-64.60000113.6N121 G129 D130N121-S125 WeakPolarHBondContact O-CB 3.42Å; N121-S125 PolarHBondContact O-N 2.93Å; N121-S125 PolarHBondContact O-OG 3.44Å; N121-S125 VanDerWaalsContact O-OG 3.12Å; S125-G129 PolarHBondContact O-N 3.38Å; S125-D130 WeakPolarHBondContact O-CB 3.45Å; S125-D130 PolarHBondContact O-N 3.11Å
126F97.6Very high96.5Very high67 Ų6775.9 Ų75.929%0.29442%0.418SS..Hα-helixtrans-70.7-40.8172.2174.2-108.7000112.2M122 A123 D124 D128 G129 M131 L133 F136M122-F126 PolarHBondContact O-N 3.39Å; A123-F126 WeakPolarHBondContact O-CB 3.25Å; A123-F126 PolarHBondContact O-N 3.49Å; D124-F126 PolarHBondContact O-N 2.84Å; F126-D128 VanDerWaalsContact C-N 3.3Å; F126-D128 PolarHBondContact O-N 3.3Å; F126-G129 PolarHBondContact O-N 3.03Å; F126-M131 HydrophobicContact CB-CG 3.79Å; F126-M131 HydrophobicContact CB-SD 3.88Å; F126-M131 HydrophobicContact CD2-CG 4.07Å; F126-M131 HydrophobicContact CG-CG 4.44Å; F126-L133 HydrophobicContact CE2-CB 4.34Å; F126-L133 HydrophobicContact CE2-CD1 4.13Å; F126-L133 HydrophobicContact CZ-CD1 3.9Å; F126-F136 HydrophobicContact CB-CD2 3.62Å; F126-F136 HydrophobicContact CB-CE2 3.96Å; F126-F136 HydrophobicContact CB-CG 4.06Å; F126-F136 HydrophobicContact CD1-CD1 4.29Å; F126-F136 HydrophobicContact CD1-CD2 4.49Å; F126-F136 HydrophobicContact CD1-CE1 4.33Å; F126-F136 HydrophobicContact CD1-CG 4.37Å; F126-F136 HydrophobicContact CD1-CZ 4.45Å; F126-F136 HydrophobicContact CD2-CB 3.85Å; F126-F136 HydrophobicContact CD2-CD1 4.37Å; F126-F136 HydrophobicContact CD2-CD2 4.38Å; F126-F136 AromaticContact CD2-CG 3.95Å; F126-F136 HydrophobicContact CD2-CG 3.95Å; F126-F136 HydrophobicContact CE2-CB 4.37Å; F126-F136 HydrophobicContact CG-CB 4.24Å; F126-F136 HydrophobicContact CG-CD1 4.21Å; F126-F136 AromaticContact CG-CD2 3.92Å; F126-F136 HydrophobicContact CG-CD2 3.92Å; F126-F136 HydrophobicContact CG-CE2 4.32Å; F126-F136 AromaticContact CG-CG 3.85Å; F126-F136 HydrophobicContact CG-CG 3.85Å
127L96.5Very high96.5Very high136 Ų13675 Ų7571%0.71242%0.417SS*.Hα-helixtrans-67.3-32.6176.8-65.9176000112.3A123 D124 G129A123-L127 WeakPolarHBondContact O-CG 3.23Å; A123-L127 PolarHBondContact O-N 3.33Å; D124-L127 WeakPolarHBondContact O-CA 3.3Å; D124-L127 WeakPolarHBondContact O-CB 3.49Å; D124-L127 PolarHBondContact O-N 3.16Å; L127-G129 PolarHBondContact O-N 3.47Å
128D97.1Very high96.3Very high124 Ų12476 Ų7666%0.66343%0.426SS*.THydrogen-bonded Turntrans-75.8-12.4175.3-68-26.7000113D124 F126D124-D128 PolarHBondContact O-N 3.37Å; F126-D128 VanDerWaalsContact C-N 3.3Å; F126-D128 PolarHBondContact O-N 3.3Å
129G95.2Very high96.1Very high58 Ų5875 Ų7560%0.59843%0.426SS*.THydrogen-bonded Turntrans84.511.9179.200000114.7S125 F126 L127 M131S125-G129 PolarHBondContact O-N 3.38Å; F126-G129 PolarHBondContact O-N 3.03Å; L127-G129 PolarHBondContact O-N 3.47Å; G129-M131 PolarHBondContact O-N 2.98Å
130D94.9Very high96.1Very high127 Ų12777.9 Ų77.968%0.67944%0.437SS*.SBendtrans-75-6.7179.9-69.1-30.9000113.3S125S125-D130 WeakPolarHBondContact O-CB 3.45Å; S125-D130 PolarHBondContact O-N 3.11Å
131M94.8Very high96.1Very high50 Ų5078 Ų7825%0.24644%0.437CS..SBendtrans-142.7154.5176.966.2-179.466.200113.7M122 F126 G129 F136M122-M131 HydrophobicContact CG-CE 3.65Å; M122-M131 HydrophobicContact CG-SD 3.88Å; F126-M131 HydrophobicContact CB-CG 3.79Å; F126-M131 HydrophobicContact CB-SD 3.88Å; F126-M131 HydrophobicContact CD2-CG 4.07Å; F126-M131 HydrophobicContact CG-CG 4.44Å; G129-M131 PolarHBondContact O-N 2.98Å; M131-F136 HydrophobicContact CG-CB 4.36Å; M131-F136 HydrophobicContact SD-CB 3.9Å; M131-F136 HydrophobicContact SD-CD2 3.71Å; M131-F136 HydrophobicContact SD-CG 4.28Å
132T96.1Very high96.1Very high93 Ų9379.6 Ų79.657%0.57145%0.446SS*.  trans-80.5155.3178.564.60000112D134 A135 F136T132-D134 PolarHBondContact O-N 3.43Å; T132-A135 PolarHBondContact O-N 3.17Å; T132-A135 WeakPolarHBondContact OG1-CB 3.31Å; T132-F136 WeakPolarHBondContact O-CB 3.31Å; T132-F136 PolarHBondContact O-N 3.2Å
133L96Very high96.2Very high104 Ų10481.5 Ų81.555%0.54545%0.454SS..Hα-helixtrans-56.9-46.7179178.563.1000112.5F126 A135 F136 V137F126-L133 HydrophobicContact CE2-CB 4.34Å; F126-L133 HydrophobicContact CE2-CD1 4.13Å; F126-L133 HydrophobicContact CZ-CD1 3.9Å; L133-A135 PolarHBondContact O-N 2.92Å; L133-F136 PolarHBondContact O-N 3.46Å; L133-V137 HydrophobicContact CD1-CG2 3.94Å; L133-V137 HydrophobicContact CG-CG2 4.35Å; L133-V137 VanDerWaalsContact O-CG2 3.3Å; L133-V137 WeakPolarHBondContact O-CG2 3.44Å; L133-V137 PolarHBondContact O-N 3.33Å
134D95.1Very high96.2Very high132 Ų13283.8 Ų83.871%0.70646%0.457SS*.Hα-helixtrans-63.5-41.3-178.1-64.9-34.1000111.6T132 V137 D138T132-D134 PolarHBondContact O-N 3.43Å; D134-V137 PolarHBondContact O-N 2.83Å; D134-D138 PolarHBondContact O-N 3.32Å
135A93.9Very high96.3Very high52 Ų5287.8 Ų87.843%0.4347%0.471SS..Hα-helixtrans-68.6-37.5177.300000112.5T132 L133 S139T132-A135 PolarHBondContact O-N 3.17Å; T132-A135 WeakPolarHBondContact OG1-CB 3.31Å; L133-A135 PolarHBondContact O-N 2.92Å; A135-S139 WeakPolarHBondContact O-CB 3.47Å; A135-S139 PolarHBondContact O-N 3.41Å; A135-S139 PolarHBondContact O-OG 3.07Å
136F97Very high96.3Very high31 Ų3189.1 Ų89.114%0.13648%0.475CS..Hα-helixtrans-62.9-52.5173.8174.8-102.4000110.7M122 F126 M131 T132 L133 D138 S139 Y140M122-F136 HydrophobicContact CG-CD2 4.48Å; F126-F136 HydrophobicContact CB-CD2 3.62Å; F126-F136 HydrophobicContact CB-CE2 3.96Å; F126-F136 HydrophobicContact CB-CG 4.06Å; F126-F136 HydrophobicContact CD1-CD1 4.29Å; F126-F136 HydrophobicContact CD1-CD2 4.49Å; F126-F136 HydrophobicContact CD1-CE1 4.33Å; F126-F136 HydrophobicContact CD1-CG 4.37Å; F126-F136 HydrophobicContact CD1-CZ 4.45Å; F126-F136 HydrophobicContact CD2-CB 3.85Å; F126-F136 HydrophobicContact CD2-CD1 4.37Å; F126-F136 HydrophobicContact CD2-CD2 4.38Å; F126-F136 AromaticContact CD2-CG 3.95Å; F126-F136 HydrophobicContact CD2-CG 3.95Å; F126-F136 HydrophobicContact CE2-CB 4.37Å; F126-F136 HydrophobicContact CG-CB 4.24Å; F126-F136 HydrophobicContact CG-CD1 4.21Å; F126-F136 AromaticContact CG-CD2 3.92Å; F126-F136 HydrophobicContact CG-CD2 3.92Å; F126-F136 HydrophobicContact CG-CE2 4.32Å; F126-F136 AromaticContact CG-CG 3.85Å; F126-F136 HydrophobicContact CG-CG 3.85Å; M131-F136 HydrophobicContact CG-CB 4.36Å; M131-F136 HydrophobicContact SD-CB 3.9Å; M131-F136 HydrophobicContact SD-CD2 3.71Å; M131-F136 HydrophobicContact SD-CG 4.28Å; T132-F136 WeakPolarHBondContact O-CB 3.31Å; T132-F136 PolarHBondContact O-N 3.2Å; L133-F136 PolarHBondContact O-N 3.46Å; F136-D138 PolarHBondContact O-N 3.14Å; F136-S139 PolarHBondContact O-N 3.05Å; F136-Y140 HydrophobicContact CD2-CD2 4.38Å; F136-Y140 HydrophobicContact CD2-CG 4.43Å; F136-Y140 HydrophobicContact CE1-CD1 4.4Å; F136-Y140 HydrophobicContact CE1-CG 4.19Å; F136-Y140 AromaticContact CE2-CD2 3.44Å; F136-Y140 HydrophobicContact CE2-CD2 3.44Å; F136-Y140 VanDerWaalsContact CE2-CD2 3.44Å; F136-Y140 HydrophobicContact CE2-CE2 4.12Å; F136-Y140 AromaticContact CE2-CG 3.69Å; F136-Y140 HydrophobicContact CE2-CG 3.69Å; F136-Y140 AromaticContact CZ-CD1 3.98Å; F136-Y140 HydrophobicContact CZ-CD1 3.98Å; F136-Y140 AromaticContact CZ-CD2 3.59Å; F136-Y140 HydrophobicContact CZ-CD2 3.59Å; F136-Y140 HydrophobicContact CZ-CE1 4.41Å; F136-Y140 HydrophobicContact CZ-CE2 4.05Å; F136-Y140 AromaticContact CZ-CG 3.55Å; F136-Y140 HydrophobicContact CZ-CG 3.55Å; F136-Y140 WeakPolarHBondContact O-CA 3.24Å; F136-Y140 WeakPolarHBondContact O-CB 3.35Å; F136-Y140 PolarHBondContact O-N 3.05Å
137V96.7Very high96.4Very high52 Ų5286 Ų8632%0.31546%0.461SS..Hα-helixtrans-58.1-48.3-176.1170.40000111.6L133 D134 Q141L133-V137 HydrophobicContact CD1-CG2 3.94Å; L133-V137 HydrophobicContact CG-CG2 4.35Å; L133-V137 VanDerWaalsContact O-CG2 3.3Å; L133-V137 WeakPolarHBondContact O-CG2 3.44Å; L133-V137 PolarHBondContact O-N 3.33Å; D134-V137 PolarHBondContact O-N 2.83Å; V137-Q141 WeakPolarHBondContact O-CB 3.39Å; V137-Q141 VanDerWaalsContact O-CG 3.24Å; V137-Q141 WeakPolarHBondContact O-CG 3.46Å; V137-Q141 PolarHBondContact O-N 2.97Å
138D93.6Very high96.5Very high135 Ų13583.4 Ų83.472%0.72245%0.445SS*.Hα-helixtrans-63.5-49.7-179.1-100.74.1000112.2D134 F136D134-D138 PolarHBondContact O-N 3.32Å; F136-D138 PolarHBondContact O-N 3.14Å
139S95.4Very high96.5Very high42 Ų4281.8 Ų81.829%0.29444%0.436SS..Hα-helixtrans-76.4-39-175.371.50000112.8M122 A135 F136 N142 K143M122-S139 WeakPolarHBondContact CE-OG 3.47Å; M122-S139 PolarHBondContact SD-OG 3.29Å; A135-S139 WeakPolarHBondContact O-CB 3.47Å; A135-S139 PolarHBondContact O-N 3.41Å; A135-S139 PolarHBondContact O-OG 3.07Å; F136-S139 PolarHBondContact O-N 3.05Å; S139-N142 PolarHBondContact O-N 3.46Å; S139-K143 WeakPolarHBondContact O-CB 3.13Å; S139-K143 WeakPolarHBondContact O-CG 3.19Å; S139-K143 PolarHBondContact O-N 2.79Å
140Y97.6Very high96.7Very high61 Ų6181.5 Ų81.524%0.23942%0.417CS..Hα-helixtrans-66.8-48.1-178.1-173.2-92.9000111.5T119 M122 A123 F136 N142 K143 R144T119-Y140 WeakPolarHBondContact O-CE2 3.47Å; M122-Y140 HydrophobicContact CE-CD2 3.83Å; M122-Y140 HydrophobicContact CE-CG 4.16Å; M122-Y140 VanDerWaalsContact CE-N 3.27Å; A123-Y140 HydrophobicContact CB-CE2 4.29Å; F136-Y140 HydrophobicContact CD2-CD2 4.38Å; F136-Y140 HydrophobicContact CD2-CG 4.43Å; F136-Y140 HydrophobicContact CE1-CD1 4.4Å; F136-Y140 HydrophobicContact CE1-CG 4.19Å; F136-Y140 AromaticContact CE2-CD2 3.44Å; F136-Y140 HydrophobicContact CE2-CD2 3.44Å; F136-Y140 VanDerWaalsContact CE2-CD2 3.44Å; F136-Y140 HydrophobicContact CE2-CE2 4.12Å; F136-Y140 AromaticContact CE2-CG 3.69Å; F136-Y140 HydrophobicContact CE2-CG 3.69Å; F136-Y140 AromaticContact CZ-CD1 3.98Å; F136-Y140 HydrophobicContact CZ-CD1 3.98Å; F136-Y140 AromaticContact CZ-CD2 3.59Å; F136-Y140 HydrophobicContact CZ-CD2 3.59Å; F136-Y140 HydrophobicContact CZ-CE1 4.41Å; F136-Y140 HydrophobicContact CZ-CE2 4.05Å; F136-Y140 AromaticContact CZ-CG 3.55Å; F136-Y140 HydrophobicContact CZ-CG 3.55Å; F136-Y140 WeakPolarHBondContact O-CA 3.24Å; F136-Y140 WeakPolarHBondContact O-CB 3.35Å; F136-Y140 PolarHBondContact O-N 3.05Å; Y140-N142 VanDerWaalsContact C-N 3.26Å; Y140-N142 PolarHBondContact O-N 3Å; Y140-K143 PolarHBondContact O-N 2.93Å; Y140-R144 HydrophobicContact CD1-CB 4.33Å; Y140-R144 HydrophobicContact CE1-CB 4.12Å; Y140-R144 HydrophobicContact CE1-CG 4.14Å; Y140-R144 WeakPolarHBondContact O-CB 3.49Å; Y140-R144 PolarHBondContact O-N 3.26Å
141Q96.7Very high96.9Very high129 Ų12980.6 Ų80.660%0.60340%0.404SS*.Hα-helixtrans-60.1-41178.9-71.2-173.49.800111.4V137 K145V137-Q141 WeakPolarHBondContact O-CB 3.39Å; V137-Q141 VanDerWaalsContact O-CG 3.24Å; V137-Q141 WeakPolarHBondContact O-CG 3.46Å; V137-Q141 PolarHBondContact O-N 2.97Å; Q141-K145 VanDerWaalsContact O-CB 3.23Å; Q141-K145 WeakPolarHBondContact O-CB 3.3Å; Q141-K145 PolarHBondContact O-N 3.32Å
142N97Very high97Very high115 Ų11581.9 Ų81.962%0.61542%0.415SS*.Hα-helixtrans-65.5-49.5178-171.526000112.2S139 Y140 R144 K145 L146S139-N142 PolarHBondContact O-N 3.46Å; Y140-N142 VanDerWaalsContact C-N 3.26Å; Y140-N142 PolarHBondContact O-N 3Å; N142-R144 PolarHBondContact O-N 2.92Å; N142-K145 PolarHBondContact O-N 3.23Å; N142-L146 PolarHBondContact O-N 2.88Å
143K97.6Very high97.1Very high64 Ų6483 Ų8328%0.27841%0.411SS..Hα-helixtrans-64.9-39.5178.2-73.7-175.7175.6-78.80112.2I115 E118 T119 M122 S139 Y140 L146 A147I115-K143 HydrophobicContact CD1-CB 4.09Å; I115-K143 HydrophobicContact CD1-CD 4.28Å; I115-K143 HydrophobicContact CD1-CG 4.04Å; E118-K143 IonicContact OE2-NZ 3.43Å; E118-K143 PolarHBondContact OE2-NZ 3.49Å; T119-K143 HydrophobicContact CG2-CB 3.59Å; M122-K143 HydrophobicContact CE-CD 3.84Å; M122-K143 HydrophobicContact SD-CD 4.1Å; S139-K143 WeakPolarHBondContact O-CB 3.13Å; S139-K143 WeakPolarHBondContact O-CG 3.19Å; S139-K143 PolarHBondContact O-N 2.79Å; Y140-K143 PolarHBondContact O-N 2.93Å; K143-L146 WeakPolarHBondContact O-CB 2.95Å; K143-L146 PolarHBondContact O-N 3.49Å; K143-A147 PolarHBondContact O-N 3.49Å
144R98Very high97.2Very high75 Ų7579.2 Ų79.228%0.28339%0.392SS..Hα-helixtrans-67.6-39.8178.4-163.867.6-177.7170.9-4.7112.1T119 Y140 N142 L146 A147 H148T119-R144 PolarHBondContact OG1-NH1 3.49Å; Y140-R144 HydrophobicContact CD1-CB 4.33Å; Y140-R144 HydrophobicContact CE1-CB 4.12Å; Y140-R144 HydrophobicContact CE1-CG 4.14Å; Y140-R144 WeakPolarHBondContact O-CB 3.49Å; Y140-R144 PolarHBondContact O-N 3.26Å; N142-R144 PolarHBondContact O-N 2.92Å; R144-L146 VanDerWaalsContact C-N 3.33Å; R144-L146 PolarHBondContact O-N 3.33Å; R144-A147 PolarHBondContact O-N 2.95Å; R144-H148 PolarHBondContact O-CD2 2.96Å; R144-H148 PolarHBondContact O-N 3.32Å
145K98.1Very high97.3Very high157 Ų15777.7 Ų77.768%0.68338%0.38SS*.Hα-helixtrans-58.9-44.5170-178.8-178.7178.8-179.30111.3Q141 N142 H148 L149Q141-K145 VanDerWaalsContact O-CB 3.23Å; Q141-K145 WeakPolarHBondContact O-CB 3.3Å; Q141-K145 PolarHBondContact O-N 3.32Å; N142-K145 PolarHBondContact O-N 3.23Å; K145-H148 PolarHBondContact O-N 2.87Å; K145-L149 WeakPolarHBondContact O-CB 3.46Å; K145-L149 PolarHBondContact O-N 3.49Å
146L98.3Very high97.5Very high68 Ų6879.8 Ų79.836%0.35638%0.379SS..Hα-helixtrans-63.1-42.1176.6-178.760.7000112.1I115 N142 K143 R144 L149 R150I115-L146 HydrophobicContact CD1-CD2 4.37Å; I115-L146 HydrophobicContact CG1-CD2 4.35Å; I115-L146 HydrophobicContact CG1-CG 4.49Å; N142-L146 PolarHBondContact O-N 2.88Å; K143-L146 WeakPolarHBondContact O-CB 2.95Å; K143-L146 PolarHBondContact O-N 3.49Å; R144-L146 VanDerWaalsContact C-N 3.33Å; R144-L146 PolarHBondContact O-N 3.33Å; L146-L149 PolarHBondContact O-N 3.02Å; L146-R150 HydrophobicContact CD1-CG 4.38Å; L146-R150 WeakPolarHBondContact O-CG 3.43Å; L146-R150 PolarHBondContact O-N 3.24Å
147A98.4Very high97.3Very high1 Ų179.4 Ų79.41%0.00838%0.379CS..Hα-helixtrans-59.3-49.3175.800000111.8I115 E116 K143 R144 L149 R150 R151I115-A147 HydrophobicContact CG1-CB 4.38Å; I115-A147 HydrophobicContact CG2-CB 3.78Å; E116-A147 HydrophobicContact CG-CB 4.35Å; K143-A147 PolarHBondContact O-N 3.49Å; R144-A147 PolarHBondContact O-N 2.95Å; A147-L149 VanDerWaalsContact C-N 3.33Å; A147-L149 PolarHBondContact O-N 3.44Å; A147-R150 PolarHBondContact O-N 3.16Å; A147-R151 PolarHBondContact O-N 3.35Å
148H98.6Very high97.2Very high82 Ų8280.8 Ų80.838%0.3838%0.382SS..Hα-helixtrans-61.3-40.9175.9-69.1-47.7000112.6R144 K145 R151 V152R144-H148 PolarHBondContact O-CD2 2.96Å; R144-H148 PolarHBondContact O-N 3.32Å; K145-H148 PolarHBondContact O-N 2.87Å; H148-R151 PolarHBondContact CE1-NH1 3.42Å; H148-R151 PolarHBondContact ND1-NH1 3.33Å; H148-R151 VanDerWaalsContact ND1-NH1 3.16Å; H148-R151 PolarHBondContact O-N 2.96Å; H148-V152 WeakPolarHBondContact O-CG2 3.33Å; H148-V152 PolarHBondContact O-N 3.19Å; H148-V152 VanDerWaalsContact O-N 3.11Å
149L98.5Very high97.3Very high89 Ų8977 Ų7747%0.46636%0.36SS..Hα-helixtrans-63.3-42.7176.3-173.766.5000111.8K145 L146 A147 K153K145-L149 WeakPolarHBondContact O-CB 3.46Å; K145-L149 PolarHBondContact O-N 3.49Å; L146-L149 PolarHBondContact O-N 3.02Å; A147-L149 VanDerWaalsContact C-N 3.33Å; A147-L149 PolarHBondContact O-N 3.44Å; L149-K153 HydrophobicContact CG-CD 4.41Å; L149-K153 WeakPolarHBondContact O-CG 3.36Å; L149-K153 PolarHBondContact O-N 2.86Å
150R98.4Very high97Very high53 Ų5379.9 Ų79.920%0.237%0.371CS..Hα-helixtrans-63.1-42.6175.7-75.7-178.9176.9-174.5-8.4111L108 E111 L146 A147 V152 K153 I154L108-R150 HydrophobicContact CD1-CG 4.43Å; E111-R150 PolarHBondContact O-NH1 3.32Å; E111-R150 IonicContact OE2-CZ 3.13Å; E111-R150 IonicContact OE2-NH1 2.67Å; E111-R150 PolarHBondContact OE2-NH1 3Å; E111-R150 IonicContact OE2-NH2 2.87Å; E111-R150 PolarHBondContact OE2-NH2 2.94Å; L146-R150 HydrophobicContact CD1-CG 4.38Å; L146-R150 WeakPolarHBondContact O-CG 3.43Å; L146-R150 PolarHBondContact O-N 3.24Å; A147-R150 PolarHBondContact O-N 3.16Å; R150-V152 PolarHBondContact O-N 2.91Å; R150-K153 PolarHBondContact O-N 2.72Å; R150-K153 VanDerWaalsContact O-N 3.16Å; R150-I154 VanDerWaalsContact O-CG1 3.25Å; R150-I154 WeakPolarHBondContact O-CG1 3.49Å; R150-I154 PolarHBondContact O-N 3.44Å
151R98.3Very high96.6Very high107 Ų10777.6 Ų77.640%0.40436%0.363SS..Hα-helixtrans-56.4-49176.3-170.7-179.5-61.3145.90.1112.6E116 A147 H148 K153 I154 E155E116-R151 IonicContact OE1-CZ 2.85Å; E116-R151 IonicContact OE1-NE 2.78Å; E116-R151 PolarHBondContact OE1-NE 3.19Å; E116-R151 IonicContact OE1-NH2 2.7Å; E116-R151 PolarHBondContact OE1-NH2 3.48Å; A147-R151 PolarHBondContact O-N 3.35Å; H148-R151 PolarHBondContact CE1-NH1 3.42Å; H148-R151 PolarHBondContact ND1-NH1 3.33Å; H148-R151 VanDerWaalsContact ND1-NH1 3.16Å; H148-R151 PolarHBondContact O-N 2.96Å; R151-K153 VanDerWaalsContact C-N 3.34Å; R151-K153 PolarHBondContact O-N 3.17Å; R151-I154 PolarHBondContact O-N 3.14Å; R151-E155 PolarHBondContact O-N 3.5Å
152V98.4Very high96.2Very high78 Ų7876.4 Ų76.447%0.47336%0.358SS..Hα-helixtrans-63.9-41177.2176.40000111H148 R150 I154 E155 K156H148-V152 WeakPolarHBondContact O-CG2 3.33Å; H148-V152 PolarHBondContact O-N 3.19Å; H148-V152 VanDerWaalsContact O-N 3.11Å; R150-V152 PolarHBondContact O-N 2.91Å; V152-I154 VanDerWaalsContact C-N 3.35Å; V152-I154 PolarHBondContact O-N 2.99Å; V152-E155 PolarHBondContact O-N 3.3Å; V152-K156 HydrophobicContact CG1-CG 4.35Å; V152-K156 WeakPolarHBondContact O-CG 3.46Å; V152-K156 PolarHBondContact O-N 2.78Å
153K98Very high95.5Very high115 Ų11576.8 Ų76.850%0.535%0.354SS..Hα-helixtrans-64.4-38.1177-74.3179177.4-175.80112.5L108 L149 R150 R151 L157L108-K153 HydrophobicContact CD2-CB 3.97Å; L149-K153 HydrophobicContact CG-CD 4.41Å; L149-K153 WeakPolarHBondContact O-CG 3.36Å; L149-K153 PolarHBondContact O-N 2.86Å; R150-K153 PolarHBondContact O-N 2.72Å; R150-K153 VanDerWaalsContact O-N 3.16Å; R151-K153 VanDerWaalsContact C-N 3.34Å; R151-K153 PolarHBondContact O-N 3.17Å; K153-L157 WeakPolarHBondContact O-CB 3.26Å; K153-L157 PolarHBondContact O-N 3.36Å
154I97.9Very high94.2Very high26 Ų2675.4 Ų75.413%0.13336%0.358CS..Hα-helixtrans-61.5-50.5174.6-70.5161.4000109.8L105 L108 Q109 R150 R151 V152 K156 L157 Q158L105-I154 HydrophobicContact CD1-CG2 4.03Å; L108-I154 HydrophobicContact CB-CG1 4.35Å; L108-I154 HydrophobicContact CD2-CG1 3.83Å; L108-I154 HydrophobicContact CG-CD1 4.43Å; L108-I154 HydrophobicContact CG-CG1 3.71Å; Q109-I154 HydrophobicContact CG-CD1 4.22Å; Q109-I154 HydrophobicContact CG-CG1 4.24Å; Q109-I154 HydrophobicContact CG-CG2 3.72Å; R150-I154 VanDerWaalsContact O-CG1 3.25Å; R150-I154 WeakPolarHBondContact O-CG1 3.49Å; R150-I154 PolarHBondContact O-N 3.44Å; R151-I154 PolarHBondContact O-N 3.14Å; V152-I154 VanDerWaalsContact C-N 3.35Å; V152-I154 PolarHBondContact O-N 2.99Å; I154-K156 PolarHBondContact O-N 3.38Å; I154-L157 PolarHBondContact O-N 3.5Å; I154-Q158 VanDerWaalsContact O-CB 3.25Å; I154-Q158 WeakPolarHBondContact O-CB 3.45Å; I154-Q158 PolarHBondContact O-N 2.68Å
155E96.9Very high92.5Very high99 Ų9977.3 Ų77.346%0.46337%0.37SS..Hα-helixtrans-57.5-47.7179-172.4-169.4154.800111.4R151 V152 Q158 E159R151-E155 PolarHBondContact O-N 3.5Å; V152-E155 PolarHBondContact O-N 3.3Å; E155-Q158 WeakPolarHBondContact O-CB 3.35Å; E155-Q158 PolarHBondContact O-N 2.94Å; E155-E159 PolarHBondContact O-N 2.98Å
156K97.3Very high90.6Very high96 Ų9678.1 Ų78.142%0.41738%0.376SS..Hα-helixtrans-67.2-39.2179.4-63.5-64.1155.7-149.10112.7V152 I154 Q158 E159 I160V152-K156 HydrophobicContact CG1-CG 4.35Å; V152-K156 WeakPolarHBondContact O-CG 3.46Å; V152-K156 PolarHBondContact O-N 2.78Å; I154-K156 PolarHBondContact O-N 3.38Å; K156-Q158 VanDerWaalsContact C-N 3.34Å; K156-E159 IonicContact NZ-OE1 2.68Å; K156-E159 PolarHBondContact NZ-OE1 2.79Å; K156-E159 PolarHBondContact O-N 3.19Å; K156-I160 WeakPolarHBondContact O-CD1 3.39Å; K156-I160 VanDerWaalsContact O-CG1 3.26Å; K156-I160 WeakPolarHBondContact O-CG1 3.32Å; K156-I160 PolarHBondContact O-N 3.23Å; K156-I160 VanDerWaalsContact O-N 3.14Å
157L94.3Very high88.5Confident23 Ų2381.9 Ų81.912%0.1240%0.396CS..Hα-helixtrans-66.7-39.3176.5-175.658.9000111.2L101 L104 L105 L108 K153 I154 I160 V161L101-L157 HydrophobicContact CD1-CD1 3.43Å; L101-L157 VanDerWaalsContact CD1-CD1 3.43Å; L101-L157 HydrophobicContact CD2-CD1 4.27Å; L101-L157 HydrophobicContact CG-CD1 3.75Å; L104-L157 HydrophobicContact CD2-CD2 4.46Å; L104-L157 HydrophobicContact CG-CD2 4.27Å; L105-L157 HydrophobicContact CB-CD2 3.95Å; L105-L157 HydrophobicContact CB-CG 4.23Å; L105-L157 HydrophobicContact CD1-CB 4.09Å; L105-L157 HydrophobicContact CD1-CD2 4.05Å; L105-L157 HydrophobicContact CD1-CG 4.05Å; L108-L157 HydrophobicContact CD2-CD2 4.23Å; K153-L157 WeakPolarHBondContact O-CB 3.26Å; K153-L157 PolarHBondContact O-N 3.36Å; I154-L157 PolarHBondContact O-N 3.5Å; L157-I160 PolarHBondContact O-N 2.67Å; L157-V161 WeakPolarHBondContact O-CG2 3.31Å; L157-V161 PolarHBondContact O-N 3.25Å
158Q94.6Very high86Confident81 Ų8188 Ų8838%0.37943%0.428SS..Hα-helixtrans-61.3-42.7174.8-176.517812.800111.8L105 I154 E155 K156 I160 V161 Q162L105-Q158 HydrophobicContact CD1-CB 4.32Å; L105-Q158 HydrophobicContact CD2-CB 4.12Å; L105-Q158 HydrophobicContact CD2-CG 4.41Å; I154-Q158 VanDerWaalsContact O-CB 3.25Å; I154-Q158 WeakPolarHBondContact O-CB 3.45Å; I154-Q158 PolarHBondContact O-N 2.68Å; E155-Q158 WeakPolarHBondContact O-CB 3.35Å; E155-Q158 PolarHBondContact O-N 2.94Å; K156-Q158 VanDerWaalsContact C-N 3.34Å; Q158-I160 VanDerWaalsContact C-N 3.33Å; Q158-I160 PolarHBondContact O-N 3.06Å; Q158-V161 PolarHBondContact O-N 2.85Å; Q158-Q162 VanDerWaalsContact O-CG 3.31Å; Q158-Q162 WeakPolarHBondContact O-CG 3.36Å; Q158-Q162 PolarHBondContact O-N 3.12Å
159E94Very high83.3Confident57 Ų5790 Ų9027%0.26645%0.448SS..Hα-helixtrans-59.6-42.7172.7-72.8-178.6-136.300112.3E155 K156 Q162 K163E155-E159 PolarHBondContact O-N 2.98Å; K156-E159 IonicContact NZ-OE1 2.68Å; K156-E159 PolarHBondContact NZ-OE1 2.79Å; K156-E159 PolarHBondContact O-N 3.19Å; E159-Q162 PolarHBondContact O-N 3.38Å; E159-K163 WeakPolarHBondContact O-CB 3.34Å; E159-K163 WeakPolarHBondContact O-CD 3.49Å; E159-K163 WeakPolarHBondContact O-CG 3.46Å; E159-K163 PolarHBondContact O-N 3.2Å; E159-K163 IonicContact OE2-NZ 2.91Å; E159-K163 PolarHBondContact OE2-NZ 3.41Å
160I90.5Very high80.7Confident101 Ų10194.1 Ų94.152%0.51847%0.465SS..Hα-helixtrans-66.1-42.9-179.6-64.4163.4000110.5L101 K156 L157 Q158 K163 G164L101-I160 HydrophobicContact CD2-CB 4.4Å; L101-I160 HydrophobicContact CD2-CG2 3.78Å; K156-I160 WeakPolarHBondContact O-CD1 3.39Å; K156-I160 VanDerWaalsContact O-CG1 3.26Å; K156-I160 WeakPolarHBondContact O-CG1 3.32Å; K156-I160 PolarHBondContact O-N 3.23Å; K156-I160 VanDerWaalsContact O-N 3.14Å; L157-I160 PolarHBondContact O-N 2.67Å; Q158-I160 VanDerWaalsContact C-N 3.33Å; Q158-I160 PolarHBondContact O-N 3.06Å; I160-K163 PolarHBondContact O-N 3.11Å; I160-G164 PolarHBondContact O-N 2.91Å
161V89.3Confident77.8Confident13 Ų1396.2 Ų96.28%0.07949%0.493CS..Hα-helixtrans-57.5-50.6175170.20000110.8L101 D102 L105 L157 Q158 G164 Q165L101-V161 HydrophobicContact CB-CG2 3.99Å; L101-V161 HydrophobicContact CD2-CB 4.2Å; L101-V161 HydrophobicContact CD2-CG2 3.37Å; L101-V161 HydrophobicContact CG-CG2 3.47Å; L101-V161 VanDerWaalsContact CG-CG2 3.47Å; D102-V161 WeakPolarHBondContact OD1-CG1 3.43Å; L105-V161 HydrophobicContact CD2-CG2 4.19Å; L157-V161 WeakPolarHBondContact O-CG2 3.31Å; L157-V161 PolarHBondContact O-N 3.25Å; Q158-V161 PolarHBondContact O-N 2.85Å; V161-G164 PolarHBondContact O-N 3.36Å; V161-Q165 WeakPolarHBondContact O-CG 3.36Å; V161-Q165 PolarHBondContact O-N 3.38Å
162Q86.9Confident75Confident105 Ų10595.1 Ų95.149%0.49151%0.507SS..Hα-helixtrans-64.8-42.7-178.6-70.3173.714.700112.4Q158 E159 Q165 H166Q158-Q162 VanDerWaalsContact O-CG 3.31Å; Q158-Q162 WeakPolarHBondContact O-CG 3.36Å; Q158-Q162 PolarHBondContact O-N 3.12Å; E159-Q162 PolarHBondContact O-N 3.38Å; Q162-Q165 PolarHBondContact O-N 3.13Å; Q162-H166 PolarHBondContact O-N 3.27Å
163K84.2Confident72.3Confident122 Ų12295.9 Ų95.953%0.5352%0.522SS..Hα-helixtrans-65.9-38.5176.5-71.5166.1-176.6164.60111.7E159 I160 H166 L167E159-K163 WeakPolarHBondContact O-CB 3.34Å; E159-K163 WeakPolarHBondContact O-CD 3.49Å; E159-K163 WeakPolarHBondContact O-CG 3.46Å; E159-K163 PolarHBondContact O-N 3.2Å; E159-K163 IonicContact OE2-NZ 2.91Å; E159-K163 PolarHBondContact OE2-NZ 3.41Å; I160-K163 PolarHBondContact O-N 3.11Å; K163-H166 PolarHBondContact O-N 3.49Å; K163-L167 WeakPolarHBondContact O-CG 3.46Å; K163-L167 PolarHBondContact O-N 2.99Å
164G70.3Confident69.5Low36 Ų3694.4 Ų94.437%0.37153%0.531SS..Hα-helixtrans-64.6-37.7176.900000113.3I160 V161 H166 L167 L168I160-G164 PolarHBondContact O-N 2.91Å; V161-G164 PolarHBondContact O-N 3.36Å; G164-H166 VanDerWaalsContact C-N 3.29Å; G164-H166 PolarHBondContact O-N 3.37Å; G164-L167 PolarHBondContact O-N 3.08Å; G164-L168 PolarHBondContact O-N 2.73Å
165Q61.8Low66.8Low115 Ų11598.5 Ų98.554%0.53756%0.559SS.*Hα-helixtrans-66.2-31.5173.6-70.5169.4-7.500112.4V161 Q162V161-Q165 WeakPolarHBondContact O-CG 3.36Å; V161-Q165 PolarHBondContact O-N 3.38Å; Q162-Q165 PolarHBondContact O-N 3.13Å
166H58.3Low63.9Low174 Ų17499.7 Ų99.781%0.80658%0.578SS**Hα-helixtrans-77.9-18.8178.6-127.3-85.5000114.2Q162 K163 G164Q162-H166 PolarHBondContact O-N 3.27Å; K163-H166 PolarHBondContact O-N 3.49Å; G164-H166 VanDerWaalsContact C-N 3.29Å; G164-H166 PolarHBondContact O-N 3.37Å
167L54.2Low61.2Low147 Ų147100.2 Ų100.277%0.7759%0.594SS**Hα-helixtrans-96.6-12.6-178.9-70.8171.9000113.9K163 G164 P169K163-L167 WeakPolarHBondContact O-CG 3.46Å; K163-L167 PolarHBondContact O-N 2.99Å; G164-L167 PolarHBondContact O-N 3.08Å; L167-P169 VanDerWaalsContact O-CD 3.32Å; L167-P169 WeakPolarHBondContact O-CD 3.46Å
168L45.6Very low58.6Low130 Ų130109.6 Ų109.668%0.68163%0.628SS**SBendtrans-76116.2164.1-87.1144.8000107.3G164 Q170G164-L168 PolarHBondContact O-N 2.73Å; L168-Q170 VanDerWaalsContact C-N 3.34Å; L168-Q170 PolarHBondContact O-N 3.13Å
169P41.8Very low56Low123 Ų123111.7 Ų111.780%0.79965%0.648SS**  trans-59.7106.1170.2-16.930.2000106.9L167 A171L167-P169 VanDerWaalsContact O-CD 3.32Å; L167-P169 WeakPolarHBondContact O-CD 3.46Å; P169-A171 VanDerWaalsContact C-N 3.33Å; P169-A171 PolarHBondContact O-N 2.94Å
170Q43.8Very low53.3Low176 Ų176116.6 Ų116.682%0.82267%0.671SS**  trans-50.9106.7161.1-175.2147.215.200105.7L168 A172L168-Q170 VanDerWaalsContact C-N 3.34Å; L168-Q170 PolarHBondContact O-N 3.13Å; Q170-A172 PolarHBondContact O-N 3.12Å
171A37.7Very low50.6Low97 Ų97119 Ų11980%0.80269%0.685SS**  trans-54.7102.4168.800000105.1P169 A173P169-A171 VanDerWaalsContact C-N 3.33Å; P169-A171 PolarHBondContact O-N 2.94Å; A171-A173 PolarHBondContact O-N 3.4Å
172A39.1Very low48.1Very low84 Ų84126 Ų12669%0.69472%0.721SS**  trans-56115.7-166.200000109Q170 A174Q170-A172 PolarHBondContact O-N 3.12Å; A172-A174 PolarHBondContact O-N 3.4Å
173A42.3Very low46.2Very low94 Ų94126.5 Ų126.578%0.77773%0.734SS**  trans-61.695.3150.100000105.5A171 P175A171-A173 PolarHBondContact O-N 3.4Å; A173-P175 WeakPolarHBondContact O-CD 3.48Å
174A38.3Very low43.7Very low83 Ų83125.7 Ų125.769%0.68675%0.75SS**  trans-64.3126.1176.500000108.8A172 S176A172-A174 PolarHBondContact O-N 3.4Å; A174-S176 PolarHBondContact O-N 2.9Å
175P40.7Very low41.9Very low112 Ų112130.3 Ų130.373%0.72777%0.771SS**  trans-68.6118.5164.327.3-29.2000108A173 S177A173-P175 WeakPolarHBondContact O-CD 3.48Å; P175-S177 PolarHBondContact O-N 3.3Å; P175-S177 PolarHBondContact O-OG 3.45Å
176S37.7Very low40.5Very low125 Ų125130.3 Ų130.387%0.87478%0.783SS**  trans-51.2104.1172.4-178.80000110A174A174-S176 PolarHBondContact O-N 2.9Å
177S40.1Very low39.5Very low106 Ų106127.1 Ų127.174%0.74178%0.78SS**  trans-105.2103.8171.8-54.80000107.6P175P175-S177 PolarHBondContact O-N 3.3Å; P175-S177 PolarHBondContact O-OG 3.45Å
178R39.6Very low38.6Very low220 Ų220127 Ų12783%0.8378%0.78SS**  trans-60.5130.9174.6-168.9-179.8-169.9166.41.3110.1
179P38.7Very low38.1Very low125 Ų125128.2 Ų128.281%0.81279%0.786SS**  trans-94.6125.3171.223.9-11.5000110.7
180Q39Very low37.6Very low161 Ų161126.7 Ų126.775%0.75278%0.784SS**  trans-105.8126.5161.5-75-167.2-56.300109.6
181D33.3Very low37Very low150 Ų150126.2 Ų126.280%0.80279%0.787SS**  trans57.1138.8143.6-63-44.1000123.9
182L36.6Very low36.7Very low160 Ų160125.2 Ų125.284%0.83879%0.786SS**  trans-66.4-166.2-173.3-60.4166.5000115.3
183P47.1Very low36.4Very low116 Ų116128.5 Ų128.575%0.75379%0.792SS**  -131.2164.2-60.636-20.3000112.3
184A31.5Very low35.9Very low106 Ų106128.3 Ų128.388%0.87679%0.785SS**  trans-168.2142.715000000114.5
185V33.6Very low35.8Very low133 Ų133129.5 Ų129.581%0.80679%0.788SS**  trans-71.3141.5-176.3176.60000113.1
186S32Very low35.6Very low114 Ų114132 Ų13280%0.79780%0.795SS**  167.8129.4120.1-740000113.1
187S36.2Very low35.7Very low107 Ų107132 Ų13275%0.74880%0.796SS**  trans-71.8154.2171.4-53.40000112.1
188L35.6Very low35.6Very low146 Ų146132.1 Ų132.176%0.76480%0.796SS**  161.8126.8112.2-85.6-179000114.4
189L35.6Very low35.8Very low154 Ų154127.7 Ų127.781%0.80680%0.796SS**  trans73.3120.3141.5-51.7169.5000121.2
190A32.2Very low35.9Very low91 Ų91128.3 Ų128.375%0.75280%0.797SS**  175.6134.697.600000113.4
191D30.7Very low36Very low167 Ų167125.1 Ų125.189%0.89380%0.798SS**  trans4.9147.5158.2-65.7-73.2000124
192G31.6Very low36.7Very low75 Ų75126.5 Ų126.577%0.77380%0.8SS**  trans163.866.6155.800000117.9
193N31.6Very low37Very low154 Ų154124.8 Ų124.882%0.82480%0.799SS**  trans25.7132.9143.6-151.137.4000122.4
194S31.9Very low37.1Very low89 Ų89131.1 Ų131.162%0.62281%0.807SS**  trans92.4125.2142.6-74.20000122.8
195S35.6Very low38.2Very low108 Ų108137.5 Ų137.576%0.75581%0.809SS**  trans83.9113.5140.165.10000120.8
196N38.1Very low38.9Very low165 Ų165140.4 Ų140.488%0.88281%0.811SS**  trans4597.6144.5-66.4-1.3000119.1
197S39.3Very low39.9Very low126 Ų126140.5 Ų140.588%0.88181%0.809SS**  trans-151.4137.6144.357.40000112.1
198S37.5Very low40.8Very low108 Ų108141.4 Ų141.476%0.75581%0.812SS**PPolyproline II helixtrans-67.9143.1-179.8-157.90000111.3V200S198-V200 PolarHBondContact O-N 3.5Å
199P43.9Very low41.3Very low127 Ų127138.8 Ų138.883%0.82581%0.811SS**PPolyproline II helixtrans-76.5119.4-17629.3-31.3000111.8
200V41.3Very low42.1Very low138 Ų138137 Ų13784%0.83681%0.809SS**PPolyproline II helixtrans-69.2131.9168.7161.60000110.2S198 Q202S198-V200 PolarHBondContact O-N 3.5Å; V200-Q202 PolarHBondContact O-N 2.94Å
201A41.1Very low43Very low94 Ų94138.4 Ų138.478%0.77781%0.81SS**PPolyproline II helixtrans-66.3123.6176.600000111.6
202Q48.1Very low43.6Very low178 Ų178136.4 Ų136.483%0.83281%0.809SS**PPolyproline II helixtrans-72.8145.7172.2-66.5-154.3-27.800111.6V200 R204V200-Q202 PolarHBondContact O-N 2.94Å; Q202-R204 PolarHBondContact O-N 2.92Å
203P43.3Very low44.4Very low125 Ų125141.4 Ų141.481%0.81281%0.813SS**PPolyproline II helixtrans-66.2117.2171.7-13.727.7000110.1R205P203-R205 PolarHBondContact O-N 3.31Å
204R49.4Very low45.1Very low248 Ų248139.5 Ų139.594%0.93681%0.808SS**PPolyproline II helixtrans-59.6118.2172.9-87-173.9173.5-165.5-1.2109.9Q202Q202-R204 PolarHBondContact O-N 2.92Å
205R53Low45.3Very low240 Ų240140.9 Ų140.991%0.90682%0.816SS**PPolyproline II helixtrans-60.1137.5165.4-69.8-178.1177.1171.6-0.6109.3P203P203-R205 PolarHBondContact O-N 3.31Å
206K49.4Very low45.4Very low195 Ų195141.9 Ų141.985%0.84882%0.819SS**PPolyproline II helixtrans-61.8139.4168.7-72-178.4178.8178.10109
207P51.7Low45.4Very low116 Ų116140.5 Ų140.575%0.75382%0.816SS**PPolyproline II helixtrans-62.5145.8173.2-13.327.2000110.1
208P55.4Low45.4Very low126 Ų126142.6 Ų142.682%0.81882%0.817SS**PPolyproline II helixtrans-65.2145.7172.827-31.7000110.8
209A47.5Very low45.2Very low91 Ų91143.1 Ų143.175%0.75282%0.821SS**PPolyproline II helixtrans-68.4145.3174.400000110.8
210P50.8Low44.7Very low115 Ų115141.9 Ų141.975%0.74782%0.815SS**PPolyproline II helixtrans-68.1150.6177.527.9-33.2000111.6
211P50.8Low44.4Very low121 Ų121143 Ų14379%0.78682%0.815SS**PPolyproline II helixtrans-68.4132.6-179.526.9-32.7000111.8Q213P211-Q213 PolarHBondContact O-N 3.24Å
212S43.4Very low44.7Very low125 Ų125143.6 Ų143.687%0.87481%0.811SS**  trans-69.9111.4173-51.70000110.3
213Q48.3Very low44Very low181 Ų181142 Ų14285%0.84681%0.813SS**PPolyproline II helixtrans-96.9137.6168.2-76.9-167.1-41.300111.1P211P211-Q213 PolarHBondContact O-N 3.24Å
214P46.9Very low43.5Very low113 Ų113140.5 Ų140.573%0.73481%0.812SS**PPolyproline II helixtrans-73.5159171.529.6-31.5000112
215P36.3Very low42.9Very low119 Ų119133.3 Ų133.377%0.77381%0.805SS**PPolyproline II helixtrans-69.4144.8-169.428.6-35000112.8
216P38Very low42.5Very low129 Ų129127.9 Ų127.984%0.83880%0.801SS**PPolyproline II helixtrans-81.6136.9-178.831-31.5000112.5
217V38.5Very low42.2Very low135 Ų135127.5 Ų127.582%0.81880%0.802SS**PPolyproline II helixtrans-81.7136.2172.6177.70000109.5
218L38.4Very low41.6Very low171 Ų171127.4 Ų127.490%0.89580%0.801SS**PPolyproline II helixtrans-66124.7174.9-76.9158.3000111.3
219S33.6Very low41.2Very low119 Ų119126.1 Ų126.183%0.83279%0.793SS**  trans-157.4150.8163.2-670000111
220S33.7Very low40.7Very low101 Ų101130.5 Ų130.571%0.70680%0.795SS**  trans-96.2141.8-149.648.30000117.7
221I33.6Very low39.9Very low161 Ų161135.4 Ų135.483%0.82681%0.805SS**  trans46.5155.2132.9-42168.2000119.9
222P48.8Very low39.3Very low107 Ų107135.5 Ų135.570%0.69581%0.807SS**  cis-122.1178.5-46.336.6-20.2000111.7
223T32Very low39.2Very low144 Ų144135.1 Ų135.188%0.88380%0.802SS**  trans168.7150131.7-66.60000110.6
224A33.3Very low39Very low94 Ų94131.9 Ų131.978%0.77780%0.797SS**  trans-91.5173.9-154.200000117.6
225A38Very low38.8Very low97 Ų97131.4 Ų131.480%0.80280%0.796SS**  trans114159.1157.600000116.2
226P43.1Very low39.1Very low125 Ų125134.7 Ų134.781%0.81280%0.801SS**  -111.8156.5-104.811.312.4000114.9
227Q43.5Very low39.1Very low188 Ų188138.6 Ų138.688%0.87980%0.801SS**PPolyproline II helixtrans-88.7149.8-178.6-64.5-93.1-56.700113.4
228P39.4Very low40.1Very low113 Ų113137.2 Ų137.273%0.73480%0.795SS**PPolyproline II helixtrans-93.7163.7152.834.7-26.7000112
229P47.8Very low41Very low99 Ų99135 Ų13564%0.64379%0.791SS**SBendtrans-93.8164.2-150.433.5-28.7000114.4
230F36.3Very low42Very low184 Ų184137 Ų13781%0.80779%0.79SS**  trans91.690.4169-48.2-67.2000117.1
231F34.3Very low43.1Very low217 Ų217137.1 Ų137.195%0.95279%0.789SS**  trans-152.8130.6142.5-91.5-74000110.4
232C39Very low43.9Very low123 Ų123134.9 Ų134.983%0.83179%0.785SS**PPolyproline II helixtrans-58.5142.8176.9-76.70000112.4
233P41Very low44.1Very low117 Ų117141.9 Ų141.976%0.7680%0.797SS**PPolyproline II helixtrans-80.4142.3174.331.7-31.2000111.5
234P43Very low44.6Very low113 Ų113140.8 Ų140.873%0.73479%0.791SS**PPolyproline II helixtrans-73.1123.8163.729-29.9000109.4Q236P234-Q236 PolarHBondContact O-N 3.24Å; P234-Q236 VanDerWaalsContact O-N 3.17Å
235S43.5Very low45.5Very low104 Ų104139.6 Ų139.673%0.72779%0.788SS**  trans-59.8113.7172.339.40000110.6Y237S235-Y237 PolarHBondContact O-N 3.2Å
236Q41.9Very low45.7Very low187 Ų187142.5 Ų142.587%0.87479%0.785SS**  trans-73.3112.6173.4-63.8176.9500108.7P234P234-Q236 PolarHBondContact O-N 3.24Å; P234-Q236 VanDerWaalsContact O-N 3.17Å
237Y38.7Very low45.5Very low211 Ų211142.2 Ų142.283%0.82778%0.782SS**PPolyproline II helixtrans-68.8138.4163.6-80.5-89.9000109S235S235-Y237 PolarHBondContact O-N 3.2Å
238P59.9Low45.3Very low107 Ų107142.5 Ų142.570%0.69578%0.781SS**PPolyproline II helixtrans-65145.5171.827-32.4000110.4I240P238-I240 PolarHBondContact O-N 3.14Å
239P56.4Low45.4Very low125 Ų125142.6 Ų142.681%0.81278%0.782SS**PPolyproline II helixtrans-66.3131.5179.925.2-31.4000111.1
240I54.4Low45.5Very low159 Ų159143.1 Ų143.182%0.81579%0.788SS**PPolyproline II helixtrans-63.8126.4170.9-59.1166.2000107.5P238P238-I240 PolarHBondContact O-N 3.14Å
241P57.1Low45.6Very low105 Ų105140.7 Ų140.768%0.68279%0.788SS**PPolyproline II helixtrans-64.6144.9179.624.6-32.1000111.1R243P241-R243 PolarHBondContact O-N 2.94Å
242P50.4Low46.1Very low114 Ų114135.5 Ų135.574%0.7478%0.779SS**PPolyproline II helixtrans-64.3130.8177.726.3-32.3000109.9T244P242-T244 VanDerWaalsContact C-N 3.29Å; P242-T244 PolarHBondContact O-N 2.92Å; P242-T244 PolarHBondContact O-OG1 3.41Å
243R52.3Low46.1Very low253 Ų253135.5 Ų135.596%0.95578%0.775SS**  trans-71.385.3175.6-163.4178-168.9159.62.3108.7P241 G245P241-R243 PolarHBondContact O-N 2.94Å; R243-G245 PolarHBondContact O-N 3.05Å
244T43.9Very low46.1Very low122 Ų122133.3 Ų133.375%0.74877%0.773SS**  trans-61.9121.1171.8-28.60000108.1P242 Q246P242-T244 VanDerWaalsContact C-N 3.29Å; P242-T244 PolarHBondContact O-N 2.92Å; P242-T244 PolarHBondContact O-OG1 3.41Å; T244-Q246 PolarHBondContact O-N 2.88Å; T244-Q246 VanDerWaalsContact O-N 3.11Å
245G51.3Low45.9Very low69 Ų69138.1 Ų138.171%0.71178%0.779SS**  trans-61.5111.1178.600000111.3R243R243-G245 PolarHBondContact O-N 3.05Å
246Q42.7Very low45.9Very low158 Ų158138.7 Ų138.774%0.73878%0.78SS**  trans-133.3122.6161.7-82.4-73.7-54.800107.3T244T244-Q246 PolarHBondContact O-N 2.88Å; T244-Q246 VanDerWaalsContact O-N 3.11Å
247P39.5Very low45.8Very low118 Ų118134.5 Ų134.577%0.76677%0.771SS**PPolyproline II helixtrans-76.9122.317629.5-29.4000109.6
248F38.1Very low46.2Very low194 Ų194129.7 Ų129.785%0.85177%0.768SS**PPolyproline II helixtrans-77.7143.8164.8-73.2-79.6000109.8
249P42.8Very low45.6Very low115 Ų115134.8 Ų134.875%0.74778%0.775SS**PPolyproline II helixtrans-70.6144.4-176.430.6-34.3000111.2
250S48.1Very low45.2Very low110 Ų110136.4 Ų136.477%0.76978%0.775SS**  trans-33124.4-179.8-168.20000115.6
251V38.5Very low44.7Very low133 Ų133133.8 Ų133.881%0.80677%0.771SS**  trans-130.4108.9154-160.10000107.8T253V251-T253 PolarHBondContact O-N 3.49Å
252S45.7Very low44.3Very low109 Ų109137.3 Ų137.376%0.76278%0.778SS**  trans-66.1121174.8-61.10000110.1
253T38.3Very low44.4Very low122 Ų122141 Ų14175%0.74878%0.779SS**  trans-149.5122161.1-54.60000109.2V251V251-T253 PolarHBondContact O-N 3.49Å
254G42.7Very low44.6Very low71 Ų71134.4 Ų134.473%0.73277%0.769SS**  trans-73.7123.3-171.700000113.5
255Y38.7Very low45.4Very low215 Ų215134.5 Ų134.584%0.84377%0.771SS**  trans-145.4140.2151.8-91.4-85000107.6S257Y255-S257 PolarHBondContact O-N 3.31Å
256P42.9Very low45.8Very low116 Ų116136 Ų13675%0.75378%0.777SS**  trans-74.1102.9177.129.3-29.5000109.2S258P256-S258 PolarHBondContact O-N 3.19Å; P256-S258 VanDerWaalsContact O-N 3.08Å
257S39.4Very low46.8Very low98 Ų98136 Ų13669%0.68578%0.782SS**  trans-62.7104.6170.2-179.60000109.6Y255 Y259Y255-S257 PolarHBondContact O-N 3.31Å; S257-Y259 VanDerWaalsContact C-N 3.27Å; S257-Y259 PolarHBondContact O-N 3.17Å; S257-Y259 WeakPolarHBondContact OG-CD2 3.49Å
258S47.8Very low47.7Very low111 Ų111136.2 Ų136.278%0.77678%0.783SS**  trans-90.357.3174.4-52.20000110.3P256 I260P256-S258 PolarHBondContact O-N 3.19Å; P256-S258 VanDerWaalsContact O-N 3.08Å; S258-I260 PolarHBondContact O-N 3.5Å
259Y47.4Very low48.5Very low213 Ų213135.7 Ų135.784%0.83578%0.783SS**  trans-88.296.9168-87.3-86.8000109S257 S261S257-Y259 VanDerWaalsContact C-N 3.27Å; S257-Y259 PolarHBondContact O-N 3.17Å; S257-Y259 WeakPolarHBondContact OG-CD2 3.49Å; Y259-S261 PolarHBondContact O-N 3.12Å
260I47.3Very low48.8Very low159 Ų159141.1 Ų141.182%0.81579%0.789SS**  trans-68.2117.4162.8-75.9166.6000107.4S258 Q262S258-I260 PolarHBondContact O-N 3.5Å; I260-Q262 PolarHBondContact O-N 3.21Å
261S43.8Very low49.3Very low104 Ų104140.9 Ų140.973%0.72778%0.784SS**  trans-60.3122.8173.8-166.10000110.1Y259 Y263Y259-S261 PolarHBondContact O-N 3.12Å; S261-Y263 VanDerWaalsContact C-N 3.26Å; S261-Y263 PolarHBondContact O-N 2.92Å
262Q48.5Very low50.3Low179 Ų179139.8 Ų139.884%0.83678%0.78SS**SBendtrans-8925.3-175.3-148.9168.125.900113.5I260I260-Q262 PolarHBondContact O-N 3.21Å
263Y51.6Low50.6Low193 Ų193140.7 Ų140.776%0.75778%0.784SS**SBendtrans-144.6137.4174.5-75.6-83.5000111.5S261S261-Y263 VanDerWaalsContact C-N 3.26Å; S261-Y263 PolarHBondContact O-N 2.92Å
264P56.4Low51.4Low114 Ų114146.6 Ų146.674%0.7479%0.792SS**PPolyproline II helixtrans-66.8143.7169.627.7-31.3000110.2
265P62.5Low52Low123 Ų123151.4 Ų151.480%0.79980%0.8SS**PPolyproline II helixtrans-63.3142.2176.925.7-32000110.6L267P265-L267 PolarHBondContact O-N 3.3Å
266A59.1Low52.7Low101 Ų101145.3 Ų145.384%0.83579%0.794SS**PPolyproline II helixtrans-59.1131173.900000110.2
267L63Low53.1Low159 Ų159145.8 Ų145.883%0.83280%0.797SS**PPolyproline II helixtrans-59.6142.8174.9-69.8170.6000110.4P265 Q269P265-L267 PolarHBondContact O-N 3.3Å; L267-Q269 PolarHBondContact O-N 2.89Å
268P59.4Low53.9Low121 Ų121149.7 Ų149.779%0.78680%0.804SS**PPolyproline II helixtrans-56.6130.6174.4-22.232.2000111.1R270P268-R270 PolarHBondContact O-N 3.45Å
269Q54.8Low54.5Low184 Ų184149.8 Ų149.886%0.8680%0.803SS**PPolyproline II helixtrans-48.5122.5173.1-75.9-82.94.400110.5L267L267-Q269 PolarHBondContact O-N 2.89Å
270R48.6Very low54.7Low228 Ų228143 Ų14386%0.8680%0.798SS**PPolyproline II helixtrans-65.4131.9173.6-171.1178.6-173.2164.12.3108.8P268P268-R270 PolarHBondContact O-N 3.45Å
271P58.4Low55.1Low105 Ų105145.2 Ų145.268%0.68280%0.802SS**PPolyproline II helixtrans-62.3148.6173.3-16.529.2000110.6
272P59.7Low55.6Low111 Ų111147.7 Ų147.772%0.72181%0.805SS**PPolyproline II helixtrans-60.7150.6177.325.8-33.5000111.1R274P272-R274 PolarHBondContact O-N 2.93Å; P272-R274 VanDerWaalsContact O-N 3.12Å
273P52.8Low55.8Low128 Ų128146.7 Ų146.783%0.83180%0.804SS**PPolyproline II helixtrans-63.5117-178.725.3-31.2000110L275P273-L275 PolarHBondContact O-N 2.97Å
274R53.8Low55.6Low246 Ų246149.5 Ų149.593%0.92882%0.824SS**PPolyproline II helixtrans-65.4125.1166.2-80.1-174.3173.7164.4-1.7108.4P272P272-R274 PolarHBondContact O-N 2.93Å; P272-R274 VanDerWaalsContact O-N 3.12Å
275L56.7Low55.6Low172 Ų172151.3 Ų151.390%0.90183%0.828SS**PPolyproline II helixtrans-54.2134164.8-79.6149.6000109.4P273P273-L275 PolarHBondContact O-N 2.97Å
276A53.4Low55.2Low86 Ų86152.8 Ų152.871%0.71183%0.83SS**PPolyproline II helixtrans-62.9142.2176.600000110.7Q278A276-Q278 PolarHBondContact O-N 3.45Å
277P51.2Low55Low127 Ų127155.7 Ų155.783%0.82583%0.83SS**PPolyproline II helixtrans-68.7128.5172.1-11.726.9000110.2
278Q56.3Low54.6Low179 Ų179155.5 Ų155.584%0.83683%0.829SS**PPolyproline II helixtrans-60.8135.9170.3-70.1-79.9-0.300110.2A276 G280A276-Q278 PolarHBondContact O-N 3.45Å; Q278-G280 PolarHBondContact O-N 3.43Å
279P59.2Low54.3Low114 Ų114157.6 Ų157.674%0.7483%0.832SS**PPolyproline II helixtrans-72.3125.5174.128.8-30.1000109.9
280G51.3Low54.2Low71 Ų71155.9 Ų155.973%0.73283%0.83SS**PPolyproline II helixtrans-68144.5178.900000113Q278Q278-G280 PolarHBondContact O-N 3.43Å
281F55.8Low54.6Low204 Ų204150.7 Ų150.790%0.89583%0.828SS**PPolyproline II helixtrans-64127.6169.2-76.2-97.3000110.4
282I56.1Low54.3Low156 Ų156154.2 Ų154.280%0.884%0.839SS**PPolyproline II helixtrans-87.6118.5162.6-68.8170.3000106.7
283I51.5Low53.9Low158 Ų158157.8 Ų157.881%0.8185%0.849SS**PPolyproline II helixtrans-83.6124.1169.5-53.9167.8000106.6
284Q48.5Very low54Low253 Ų253160.5 Ų160.5100%1.18285%0.851SS**  trans-125.50151.7-84.8-172.87.200107.5

Retrieved 284 of 284 residues in 231.6 ms (Link to these results)

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