A0A3B3UXD7_9TELE Loading...

Retinol dehydrogenase

Retinol dehydrogenase with a clear preference for NADP. Converts all-trans-retinal to all-trans-retinol. May play a role in the regeneration of visual pigment at high light intensity.

AlphaFold DB , UniProt , Accession A0A3B3UXD7, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 317 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M62.8Low86.9Confident157 Ų15759 Ų5977%0.77337%0.365SS*.  0146.80-70.3-173.4179.700108K82M1-K82 HydrophobicContact CE-CD 4.41Å; M1-K82 HydrophobicContact CG-CD 4.18Å; M1-K82 HydrophobicContact SD-CD 3.77Å
2A69.6Low87.9Confident35 Ų3554.3 Ų54.329%0.28934%0.336SS..PPolyproline II helixtrans-67.6139.317700000111.5Q6 V8 H35A2-Q6 HydrophobicContact CB-CB 4.32Å; A2-V8 HydrophobicContact CB-CG2 3.88Å; A2-H35 HydrophobicContact CB-CB 3.59Å
3N78.2Confident88.6Confident117 Ų11751.8 Ų51.863%0.62633%0.327SS*.PPolyproline II helixtrans-76.3159.5170.5-67.5-26.7000110.6G5 Q6N3-G5 PolarHBondContact O-N 2.7Å; N3-Q6 HydrophobicContact CB-CG 4.09Å; N3-Q6 WeakPolarHBondContact O-CB 3.5Å; N3-Q6 PolarHBondContact O-N 3.36Å; N3-Q6 VanDerWaalsContact O-N 3.08Å
4S75.7Confident89.3Confident137 Ų13748.1 Ų48.196%0.95830%0.304SS*.THydrogen-bonded Turntrans-53.9127.9176.1-170.90000111.1
5G82.6Confident89.8Confident77 Ų7747.1 Ų47.179%0.79430%0.3SS*.THydrogen-bonded Turntrans86.7-4.3-179.300000116N3N3-G5 PolarHBondContact O-N 2.7Å
6Q93.6Very high90.1Very high23 Ų2346.4 Ų46.411%0.10730%0.297CS..PPolyproline II helixtrans-81.2140.3172.4-60.5-168.7-6300111.4A2 N3 K32 R33 Y34 H35A2-Q6 HydrophobicContact CB-CB 4.32Å; N3-Q6 HydrophobicContact CB-CG 4.09Å; N3-Q6 WeakPolarHBondContact O-CB 3.5Å; N3-Q6 PolarHBondContact O-N 3.36Å; N3-Q6 VanDerWaalsContact O-N 3.08Å; Q6-K32 WeakPolarHBondContact CG-O 3.46Å; Q6-K32 PolarHBondContact NE2-O 2.99Å; Q6-R33 CarbonylContact C-O 3.57Å; Q6-R33 WeakPolarHBondContact CA-O 3.5Å; Q6-Y34 PolarHBondContact NE2-O 2.8Å; Q6-H35 HydrophobicContact CB-CB 4.41Å
7K97.8Very high90.4Very high90 Ų9044.6 Ų44.639%0.39129%0.289SS..EExtended strand (participates in β ladder)trans-82.5128.8169-66.8-174.1-179.2-178.20110.1R33 Y34 H35 D87 I88K7-R33 PolarHBondContact N-O 3.3Å; K7-Y34 HydrophobicContact CB-CD1 4.13Å; K7-Y34 HydrophobicContact CD-CE1 4.46Å; K7-Y34 WeakPolarHBondContact O-CA 3.42Å; K7-H35 PolarHBondContact O-N 3.1Å; K7-D87 VanDerWaalsContact CA-OD2 3.29Å; K7-D87 WeakPolarHBondContact CA-OD2 3.28Å; K7-D87 HydrophobicContact CB-CB 3.91Å; K7-D87 HydrophobicContact CG-CB 4.3Å; K7-I88 HydrophobicContact CD-CD1 4.06Å
8V98.6Very high90.8Very high13 Ų1343.5 Ų43.58%0.07928%0.28CS..EExtended strand (participates in β ladder)trans-79.5120.3173.9-177.30000109.6A2 H35 I37 V81 H85 D87 I88A2-V8 HydrophobicContact CB-CG2 3.88Å; V8-H35 WeakPolarHBondContact CA-O 3.25Å; V8-I37 HydrophobicContact CG1-CD1 3.77Å; V8-I37 HydrophobicContact CG1-CG1 4.36Å; V8-V81 HydrophobicContact CG1-CG1 4.03Å; V8-H85 WeakPolarHBondContact CB-O 3.48Å; V8-H85 WeakPolarHBondContact CG1-O 3.25Å; V8-D87 PolarHBondContact N-OD2 3.29Å; V8-D87 WeakPolarHBondContact O-CA 3.37Å; V8-D87 WeakPolarHBondContact O-CB 3.49Å; V8-D87 PolarHBondContact O-N 3.47Å; V8-I88 PolarHBondContact O-N 2.57Å
9V98.9Very high91.2Very high0 Ų041.2 Ų41.20%027%0.265CS..EExtended strand (participates in β ladder)trans-114.8116.2-177.9-171.60000109.6I11 L26 Y34 H35 V36 I37 I88 I90V9-I11 HydrophobicContact CG1-CD1 4.12Å; V9-I11 HydrophobicContact CG1-CG1 3.78Å; V9-L26 HydrophobicContact CG1-CD1 3.93Å; V9-L26 HydrophobicContact CG2-CD1 4.45Å; V9-Y34 HydrophobicContact CG2-CD1 3.64Å; V9-Y34 HydrophobicContact CG2-CG 4.23Å; V9-H35 PolarHBondContact N-O 3.19Å; V9-V36 CarbonylContact O-C 3.56Å; V9-V36 WeakPolarHBondContact O-CA 3.38Å; V9-I37 PolarHBondContact O-N 3.13Å; V9-I88 CarbonylContact C-O 3.59Å; V9-I88 VanDerWaalsContact CA-O 3.32Å; V9-I88 WeakPolarHBondContact CA-O 3.37Å; V9-I88 HydrophobicContact CB-CB 4.42Å; V9-I88 HydrophobicContact CG1-CB 4.08Å; V9-I88 HydrophobicContact CG1-CG2 4.19Å; V9-I88 HydrophobicContact CG2-CB 4.13Å; V9-I88 HydrophobicContact CG2-CD1 4.08Å; V9-I88 HydrophobicContact CG2-CG1 4.45Å; V9-I90 HydrophobicContact CG1-CD1 3.82Å; V9-I90 HydrophobicContact CG1-CG1 4.09Å
10L98.9Very high91.5Very high0 Ų040 Ų400%026%0.256CS..EExtended strand (participates in β ladder)trans-99.8124.3173.3-175.965.4000109.6I37 T39 V78 I86 I88 L89 I90 M123L10-I37 HydrophobicContact CD1-CB 3.72Å; L10-I37 HydrophobicContact CD1-CG2 3.46Å; L10-I37 VanDerWaalsContact CD1-CG2 3.46Å; L10-T39 HydrophobicContact CD1-CG2 3.5Å; L10-V78 HydrophobicContact CD2-CG2 4.26Å; L10-I86 HydrophobicContact CB-CD1 4.25Å; L10-I86 HydrophobicContact CB-CG1 4.4Å; L10-I86 HydrophobicContact CB-CG2 4.03Å; L10-I86 HydrophobicContact CD2-CD1 3.64Å; L10-I88 PolarHBondContact N-O 3.28Å; L10-L89 HydrophobicContact CB-CD1 4.36Å; L10-L89 HydrophobicContact CD2-CD1 4.22Å; L10-L89 HydrophobicContact CG-CD1 4.36Å; L10-I90 PolarHBondContact O-N 2.9Å; L10-M123 HydrophobicContact CD2-CE 3.49Å; L10-M123 VanDerWaalsContact CD2-CE 3.49Å; L10-M123 HydrophobicContact CG-CE 4.42Å
11I98.9Very high91.9Very high0 Ų041.5 Ų41.50%026%0.257CS..EExtended strand (participates in β ladder)trans-124.4124.3-176.8-47.6176000109.4V9 C14 I22 A23 L26 V36 I37 T39 I90V9-I11 HydrophobicContact CG1-CD1 4.12Å; V9-I11 HydrophobicContact CG1-CG1 3.78Å; I11-C14 WeakPolarHBondContact CG2-SG 3.46Å; I11-C14 PolarHBondContact O-SG 3.11Å; I11-I22 HydrophobicContact CD1-CB 4.43Å; I11-I22 HydrophobicContact CD1-CG2 3.78Å; I11-A23 HydrophobicContact CD1-CB 3.88Å; I11-L26 HydrophobicContact CD1-CD1 4.39Å; I11-V36 HydrophobicContact CD1-CG1 3.76Å; I11-V36 HydrophobicContact CG1-CG1 4.39Å; I11-I37 PolarHBondContact N-O 3.34Å; I11-T39 PolarHBondContact O-N 3.32Å; I11-T39 PolarHBondContact O-OG1 3.16Å; I11-T39 VanDerWaalsContact O-OG1 3.06Å; I11-I90 HydrophobicContact CB-CB 4.38Å; I11-I90 HydrophobicContact CD1-CD1 4.24Å; I11-I90 HydrophobicContact CG1-CB 4.11Å; I11-I90 HydrophobicContact CG1-CD1 4.08Å; I11-I90 HydrophobicContact CG1-CG1 4.29Å; I11-I90 HydrophobicContact CG2-CB 4.11Å; I11-I90 HydrophobicContact CG2-CG2 4.21Å
12T98.8Very high93.6Very high2 Ų234.1 Ų34.11%0.01222%0.22CC..SBendtrans-87.4137.8177.468.20000111.8T39 L66 V68 I90 N92 A93 M123T12-T39 WeakPolarHBondContact CA-OG1 3.44Å; T12-L66 HydrophobicContact CG2-CD2 3.63Å; T12-V68 HydrophobicContact CG2-CG1 4.1Å; T12-I90 PolarHBondContact N-O 3.39Å; T12-I90 VanDerWaalsContact N-O 3.08Å; T12-I90 PolarHBondContact OG1-O 2.94Å; T12-N92 VanDerWaalsContact O-CB 3.32Å; T12-N92 WeakPolarHBondContact O-CB 3Å; T12-N92 PolarHBondContact O-ND2 3.27Å; T12-N92 PolarHBondContact OG1-N 3.25Å; T12-A93 PolarHBondContact O-N 2.87Å; T12-A93 WeakPolarHBondContact OG1-CB 3.32Å; T12-A93 PolarHBondContact OG1-N 3.44Å; T12-M123 HydrophobicContact CG2-CE 4.21Å; T12-M123 HydrophobicContact CG2-CG 4.02Å; T12-M123 HydrophobicContact CG2-SD 4.32Å
13G97.8Very high95Very high22 Ų2232.4 Ų32.423%0.22721%0.206CC..  trans77.953.7170.200000114T39 N92G13-T39 PolarHBondContact N-O 3.16Å; G13-N92 PolarHBondContact O-ND2 2.83Å
14C98.3Very high95.9Very high0 Ų027.1 Ų27.10%018%0.178CC..  trans-9712.5-175.2-64.50000114.9I11 S16 G19 L20 A38 T39 L49I11-C14 WeakPolarHBondContact CG2-SG 3.46Å; I11-C14 PolarHBondContact O-SG 3.11Å; C14-S16 VanDerWaalsContact C-N 3.28Å; C14-S16 PolarHBondContact O-N 3.22Å; C14-G19 PolarHBondContact SG-O 3Å; C14-L20 WeakPolarHBondContact O-CB 3.43Å; C14-A38 HydrophobicContact CB-CB 3.84Å; C14-T39 WeakPolarHBondContact CB-O 3.35Å; C14-T39 PolarHBondContact N-O 2.95Å; C14-L49 HydrophobicContact CB-CD2 4.18Å
15S96.1Very high97Very high34 Ų3422.5 Ų22.524%0.23814%0.144CC..SBendtrans-70.1-25-179.455.90000113.4
16S94.3Very high97.8Very high36 Ų3618.9 Ų18.925%0.25211%0.107SC..SBendtrans-161.2177.1-179.758.60000111.1C14 L20C14-S16 VanDerWaalsContact C-N 3.28Å; C14-S16 PolarHBondContact O-N 3.22Å; S16-L20 PolarHBondContact O-N 3.2Å
17G95.4Very high98Very high16 Ų1618 Ų1817%0.16510%0.103CC..Hα-helixtrans59.4-138.7167.600000114.9L20 R21G17-L20 PolarHBondContact O-N 3.26Å; G17-R21 PolarHBondContact O-N 3.16Å; G17-R21 VanDerWaalsContact O-N 3.11Å
18I97.9Very high98Very high24 Ų2418.8 Ų18.812%0.12311%0.107CC..Hα-helixtrans-59.6-50.4-173.2-63.3168.9000111.4L20 R21 I22 N92 M142 P187 V190 T192 I240I18-L20 PolarHBondContact O-N 3.25Å; I18-R21 PolarHBondContact O-N 3.27Å; I18-R21 VanDerWaalsContact O-N 3.14Å; I18-I22 HydrophobicContact CG2-CD1 3.51Å; I18-I22 HydrophobicContact CG2-CG1 4.18Å; I18-I22 WeakPolarHBondContact O-CG1 3.09Å; I18-I22 PolarHBondContact O-N 2.84Å; I18-N92 WeakPolarHBondContact CB-OD1 3.2Å; I18-N92 WeakPolarHBondContact CG2-OD1 3.49Å; I18-M142 HydrophobicContact CG2-CE 3.9Å; I18-M142 HydrophobicContact CG2-CG 4.43Å; I18-M142 HydrophobicContact CG2-SD 4.12Å; I18-P187 HydrophobicContact CD1-CG 4.48Å; I18-V190 HydrophobicContact CD1-CB 4.35Å; I18-V190 HydrophobicContact CD1-CG1 4.25Å; I18-V190 HydrophobicContact CD1-CG2 4.13Å; I18-V190 HydrophobicContact CG1-CG1 4.07Å; I18-T192 HydrophobicContact CG1-CG2 4.44Å; I18-I240 HydrophobicContact CD1-CG1 4.4Å; I18-I240 HydrophobicContact CD1-CG2 4.35Å; I18-I240 HydrophobicContact CG1-CB 4.41Å; I18-I240 HydrophobicContact CG1-CG1 4.37Å; I18-I240 HydrophobicContact CG1-CG2 4.38Å; I18-I240 HydrophobicContact CG2-CB 4.22Å; I18-I240 HydrophobicContact CG2-CG2 3.63Å
19G98.2Very high98Very high0 Ų018.6 Ų18.60%011%0.105CC..Hα-helixtrans-61.1-41.1-177.900000113.4C14 A23 N92C14-G19 PolarHBondContact SG-O 3Å; G19-A23 WeakPolarHBondContact O-CB 3.5Å; G19-A23 PolarHBondContact O-N 3.29Å; G19-N92 VanDerWaalsContact CA-ND2 3.29Å; G19-N92 WeakPolarHBondContact CA-ND2 3.16Å; G19-N92 PolarHBondContact N-ND2 2.76Å; G19-N92 PolarHBondContact N-OD1 2.81Å
20L98.4Very high97.7Very high16 Ų1627.6 Ų27.68%0.08415%0.147CC..Hα-helixtrans-60-49.7173.9-178.3158.2000110.1C14 S16 G17 I18 A23 V24 K48 L49 A52C14-L20 WeakPolarHBondContact O-CB 3.43Å; S16-L20 PolarHBondContact O-N 3.2Å; G17-L20 PolarHBondContact O-N 3.26Å; I18-L20 PolarHBondContact O-N 3.25Å; L20-A23 PolarHBondContact O-N 3.01Å; L20-V24 HydrophobicContact CD2-CG2 4.15Å; L20-V24 WeakPolarHBondContact O-CG2 3.07Å; L20-V24 PolarHBondContact O-N 3.33Å; L20-K48 HydrophobicContact CD1-CB 3.86Å; L20-L49 HydrophobicContact CD1-CB 4.18Å; L20-L49 HydrophobicContact CG-CB 4.31Å; L20-L49 HydrophobicContact CG-CD1 3.92Å; L20-A52 HydrophobicContact CD2-CB 4.06Å
21R98.5Very high97.5Very high73 Ų7335.3 Ų35.328%0.27518%0.181SC..Hα-helixtrans-67.5-41.3-174.9-173.854.667.9-174.210.3112.2G17 I18 A23 V24 T25 P237 E238 A241G17-R21 PolarHBondContact O-N 3.16Å; G17-R21 VanDerWaalsContact O-N 3.11Å; I18-R21 PolarHBondContact O-N 3.27Å; I18-R21 VanDerWaalsContact O-N 3.14Å; R21-A23 VanDerWaalsContact C-N 3.33Å; R21-A23 PolarHBondContact O-N 3.36Å; R21-V24 PolarHBondContact O-N 2.76Å; R21-T25 VanDerWaalsContact O-CB 3.3Å; R21-T25 WeakPolarHBondContact O-CB 3.4Å; R21-T25 PolarHBondContact O-N 2.91Å; R21-T25 PolarHBondContact O-OG1 3.48Å; R21-T25 VanDerWaalsContact O-OG1 3.05Å; R21-P237 HydrophobicContact CB-CB 3.82Å; R21-P237 HydrophobicContact CG-CB 4.25Å; R21-E238 HydrophobicContact CG-CB 4.41Å; R21-E238 HydrophobicContact CG-CG 4.04Å; R21-E238 IonicContact CZ-OE1 2.63Å; R21-E238 IonicContact NE-OE1 3.28Å; R21-E238 PolarHBondContact NE-OE1 3.42Å; R21-E238 IonicContact NH2-OE1 2.74Å; R21-E238 PolarHBondContact NH2-OE1 3.26Å; R21-A241 HydrophobicContact CB-CB 4.3Å; R21-A241 HydrophobicContact CG-CB 3.71Å
22I98.8Very high97.3Very high1 Ų142.1 Ų42.11%0.00521%0.211CC..Hα-helixtrans-57.7-48.5173-65.3167000109.8I11 I18 V24 T25 L26 I90 M142 A241 T244I11-I22 HydrophobicContact CD1-CB 4.43Å; I11-I22 HydrophobicContact CD1-CG2 3.78Å; I18-I22 HydrophobicContact CG2-CD1 3.51Å; I18-I22 HydrophobicContact CG2-CG1 4.18Å; I18-I22 WeakPolarHBondContact O-CG1 3.09Å; I18-I22 PolarHBondContact O-N 2.84Å; I22-V24 PolarHBondContact O-N 3.32Å; I22-T25 PolarHBondContact O-N 3.38Å; I22-L26 HydrophobicContact CG2-CD1 3.83Å; I22-L26 HydrophobicContact CG2-CG 4.23Å; I22-L26 WeakPolarHBondContact O-CG 3.37Å; I22-L26 PolarHBondContact O-N 3.37Å; I22-I90 HydrophobicContact CD1-CG2 4.39Å; I22-I90 HydrophobicContact CG2-CD1 3.72Å; I22-M142 HydrophobicContact CD1-CE 3.57Å; I22-A241 HydrophobicContact CG1-CB 3.91Å; I22-T244 HydrophobicContact CD1-CG2 4.16Å; I22-T244 HydrophobicContact CG2-CG2 4.3Å
23A98.8Very high97.2Very high0 Ų045.4 Ų45.40%022%0.223CC..Hα-helixtrans-57.6-47.6-178.400000112.2I11 G19 L20 R21 A27 V36 A38 L49 L61I11-A23 HydrophobicContact CD1-CB 3.88Å; G19-A23 WeakPolarHBondContact O-CB 3.5Å; G19-A23 PolarHBondContact O-N 3.29Å; L20-A23 PolarHBondContact O-N 3.01Å; R21-A23 VanDerWaalsContact C-N 3.33Å; R21-A23 PolarHBondContact O-N 3.36Å; A23-A27 WeakPolarHBondContact O-CB 3.41Å; A23-A27 PolarHBondContact O-N 3.2Å; A23-V36 HydrophobicContact CB-CG1 3.98Å; A23-A38 HydrophobicContact CB-CB 4.04Å; A23-L49 HydrophobicContact CB-CD1 4.12Å; A23-L61 HydrophobicContact CB-CD1 4.07Å
24V98.6Very high97.2Very high6 Ų644.6 Ų44.64%0.03621%0.213CC..Hα-helixtrans-66.2-44.3178.8174.30000111.5L20 R21 I22 L26 A27 K28 L49 A52L20-V24 HydrophobicContact CD2-CG2 4.15Å; L20-V24 WeakPolarHBondContact O-CG2 3.07Å; L20-V24 PolarHBondContact O-N 3.33Å; R21-V24 PolarHBondContact O-N 2.76Å; I22-V24 PolarHBondContact O-N 3.32Å; V24-L26 VanDerWaalsContact C-N 3.33Å; V24-L26 PolarHBondContact O-N 3.06Å; V24-A27 PolarHBondContact O-N 3.25Å; V24-K28 HydrophobicContact CG1-CD 3.93Å; V24-K28 HydrophobicContact CG1-CG 4.46Å; V24-K28 WeakPolarHBondContact O-CB 3.29Å; V24-K28 PolarHBondContact O-N 3.11Å; V24-L49 HydrophobicContact CG2-CD1 4.1Å; V24-A52 HydrophobicContact CG1-CB 4.48Å; V24-A52 VanDerWaalsContact CG1-O 3.32Å; V24-A52 WeakPolarHBondContact CG1-O 3.39Å; V24-A52 HydrophobicContact CG2-CB 3.74Å
25T98.6Very high97.2Very high39 Ų3945.1 Ų45.124%0.23922%0.215CC..Hα-helixtrans-61.3-39.5179.8-70.30000112.4R21 I22 K245R21-T25 VanDerWaalsContact O-CB 3.3Å; R21-T25 WeakPolarHBondContact O-CB 3.4Å; R21-T25 PolarHBondContact O-N 2.91Å; R21-T25 PolarHBondContact O-OG1 3.48Å; R21-T25 VanDerWaalsContact O-OG1 3.05Å; I22-T25 PolarHBondContact O-N 3.38Å; T25-K245 HydrophobicContact CG2-CD 4.04Å
26L98.7Very high97.4Very high2 Ų243.5 Ų43.51%0.0120%0.204CC..Hα-helixtrans-76.7-40.1177.8-63.2-176.5000112V9 I11 I22 V24 K28 D29 Y34 V36 I90 K245 I248V9-L26 HydrophobicContact CG1-CD1 3.93Å; V9-L26 HydrophobicContact CG2-CD1 4.45Å; I11-L26 HydrophobicContact CD1-CD1 4.39Å; I22-L26 HydrophobicContact CG2-CD1 3.83Å; I22-L26 HydrophobicContact CG2-CG 4.23Å; I22-L26 WeakPolarHBondContact O-CG 3.37Å; I22-L26 PolarHBondContact O-N 3.37Å; V24-L26 VanDerWaalsContact C-N 3.33Å; V24-L26 PolarHBondContact O-N 3.06Å; L26-K28 VanDerWaalsContact C-N 3.29Å; L26-K28 PolarHBondContact O-N 2.86Å; L26-D29 VanDerWaalsContact O-CB 3.25Å; L26-D29 WeakPolarHBondContact O-CB 3.31Å; L26-D29 PolarHBondContact O-N 3.28Å; L26-Y34 HydrophobicContact CB-CD2 4.08Å; L26-Y34 HydrophobicContact CB-CG 4.22Å; L26-Y34 HydrophobicContact CD2-CD2 4.02Å; L26-Y34 HydrophobicContact CD2-CE2 3.85Å; L26-Y34 WeakPolarHBondContact O-CD2 3.41Å; L26-V36 HydrophobicContact CB-CG2 3.65Å; L26-I90 HydrophobicContact CD1-CD1 4.08Å; L26-K245 HydrophobicContact CD2-CB 4.3Å; L26-K245 HydrophobicContact CD2-CD 4.35Å; L26-K245 HydrophobicContact CD2-CG 4.11Å; L26-I248 HydrophobicContact CD1-CD1 3.93Å; L26-I248 HydrophobicContact CD2-CD1 3.49Å; L26-I248 VanDerWaalsContact CD2-CD1 3.49Å; L26-I248 HydrophobicContact CG-CD1 4.38Å
27A98.4Very high97.6Very high4 Ų442.2 Ų42.23%0.03319%0.194CC..Hα-helixtrans-66-33.1179.200000112.8A23 V24 D29 V36 A56 T60 L61A23-A27 WeakPolarHBondContact O-CB 3.41Å; A23-A27 PolarHBondContact O-N 3.2Å; V24-A27 PolarHBondContact O-N 3.25Å; A27-D29 VanDerWaalsContact C-N 3.3Å; A27-V36 HydrophobicContact CB-CB 4.33Å; A27-V36 HydrophobicContact CB-CG2 4.03Å; A27-A56 HydrophobicContact CB-CB 4.11Å; A27-T60 WeakPolarHBondContact O-CB 3.34Å; A27-T60 PolarHBondContact O-OG1 3.14Å; A27-L61 HydrophobicContact CB-CB 3.71Å; A27-L61 HydrophobicContact CB-CD1 3.9Å; A27-L61 HydrophobicContact CB-CG 4.36Å
28K97.8Very high97.7Very high107 Ų10741.5 Ų41.547%0.46519%0.186SC..THydrogen-bonded Turntrans-90.116.4176.1-67.3-174.9168.3176.40113.5V24 L26 E30 A52 A53 A56V24-K28 HydrophobicContact CG1-CD 3.93Å; V24-K28 HydrophobicContact CG1-CG 4.46Å; V24-K28 WeakPolarHBondContact O-CB 3.29Å; V24-K28 PolarHBondContact O-N 3.11Å; L26-K28 VanDerWaalsContact C-N 3.29Å; L26-K28 PolarHBondContact O-N 2.86Å; K28-E30 PolarHBondContact O-N 2.88Å; K28-A52 WeakPolarHBondContact CE-O 3.4Å; K28-A52 PolarHBondContact NZ-O 3Å; K28-A53 WeakPolarHBondContact CE-O 3.26Å; K28-A56 HydrophobicContact CG-CB 4.11Å
29D97.3Very high97.8Very high8 Ų840.4 Ų40.44%0.04318%0.181CC..  trans-57.4125174.3-176.667.6000110.7L26 A27 K31 K32 R33 Y34 K245L26-D29 VanDerWaalsContact O-CB 3.25Å; L26-D29 WeakPolarHBondContact O-CB 3.31Å; L26-D29 PolarHBondContact O-N 3.28Å; A27-D29 VanDerWaalsContact C-N 3.3Å; D29-K31 PolarHBondContact O-N 3.44Å; D29-K31 WeakPolarHBondContact OD2-CB 3.41Å; D29-K31 PolarHBondContact OD2-N 3.49Å; D29-K32 WeakPolarHBondContact O-CA 3.49Å; D29-K32 PolarHBondContact O-N 2.98Å; D29-K32 PolarHBondContact OD2-N 3.28Å; D29-R33 IonicContact OD1-CZ 3.74Å; D29-R33 IonicContact OD1-NE 2.68Å; D29-R33 IonicContact OD1-NH2 2.9Å; D29-R33 PolarHBondContact OD1-NH2 2.78Å; D29-R33 WeakPolarHBondContact OD2-CB 3.49Å; D29-R33 IonicContact OD2-CZ 2.8Å; D29-R33 PolarHBondContact OD2-N 2.96Å; D29-R33 VanDerWaalsContact OD2-N 3.16Å; D29-R33 IonicContact OD2-NE 2.76Å; D29-R33 PolarHBondContact OD2-NE 3.44Å; D29-R33 IonicContact OD2-NH2 2.76Å; D29-Y34 HydrophobicContact CB-CD2 3.8Å; D29-Y34 HydrophobicContact CB-CE2 4.13Å; D29-K245 WeakPolarHBondContact OD1-CE 3.18Å; D29-K245 IonicContact OD1-NZ 3.65Å; D29-K245 PolarHBondContact OD1-NZ 3.19Å
30E94.4Very high97.8Very high190 Ų19040.5 Ų40.589%0.88818%0.181SC*.THydrogen-bonded Turntrans-58.9-35.8-176.2-64.9176.9175.400112.4K28 K32K28-E30 PolarHBondContact O-N 2.88Å; E30-K32 PolarHBondContact O-N 3.31Å
31K94.5Very high97.6Very high161 Ų16147.6 Ų47.670%0.721%0.207SC*.THydrogen-bonded Turntrans-79.5-1.1176.9-61.4-179.7-178.7178.30112.9D29 R33D29-K31 PolarHBondContact O-N 3.44Å; D29-K31 WeakPolarHBondContact OD2-CB 3.41Å; D29-K31 PolarHBondContact OD2-N 3.49Å; K31-R33 HydrophobicContact CB-CG 3.76Å; K31-R33 PolarHBondContact O-N 3.27Å; K31-R33 VanDerWaalsContact O-N 3.14Å
32K93.8Very high97.4Very high144 Ų14447.3 Ų47.363%0.62621%0.211SC*.  trans5037-178.6-59.5-179.6-179.2176.30112.6Q6 D29 E30 Y34Q6-K32 WeakPolarHBondContact CG-O 3.46Å; Q6-K32 PolarHBondContact NE2-O 2.99Å; D29-K32 WeakPolarHBondContact O-CA 3.49Å; D29-K32 PolarHBondContact O-N 2.98Å; D29-K32 PolarHBondContact OD2-N 3.28Å; E30-K32 PolarHBondContact O-N 3.31Å; K32-Y34 PolarHBondContact O-N 2.68Å
33R96.6Very high97.3Very high70 Ų7050.4 Ų50.426%0.26423%0.227SC..  trans-71.6-13.9-175.3-70.8174.8-66.81691.6114.2Q6 K7 D29 K31 E249Q6-R33 CarbonylContact C-O 3.57Å; Q6-R33 WeakPolarHBondContact CA-O 3.5Å; K7-R33 PolarHBondContact N-O 3.3Å; D29-R33 IonicContact OD1-CZ 3.74Å; D29-R33 IonicContact OD1-NE 2.68Å; D29-R33 IonicContact OD1-NH2 2.9Å; D29-R33 PolarHBondContact OD1-NH2 2.78Å; D29-R33 WeakPolarHBondContact OD2-CB 3.49Å; D29-R33 IonicContact OD2-CZ 2.8Å; D29-R33 PolarHBondContact OD2-N 2.96Å; D29-R33 VanDerWaalsContact OD2-N 3.16Å; D29-R33 IonicContact OD2-NE 2.76Å; D29-R33 PolarHBondContact OD2-NE 3.44Å; D29-R33 IonicContact OD2-NH2 2.76Å; K31-R33 HydrophobicContact CB-CG 3.76Å; K31-R33 PolarHBondContact O-N 3.27Å; K31-R33 VanDerWaalsContact O-N 3.14Å; R33-E249 IonicContact CZ-OE1 3.29Å; R33-E249 IonicContact CZ-OE2 3.15Å; R33-E249 IonicContact NH1-OE1 2.88Å; R33-E249 PolarHBondContact NH1-OE1 3.02Å; R33-E249 IonicContact NH1-OE2 2.68Å; R33-E249 PolarHBondContact NH1-OE2 3.47Å; R33-E249 IonicContact NH2-OE1 3.27Å; R33-E249 PolarHBondContact NH2-OE1 3.27Å; R33-E249 IonicContact NH2-OE2 2.96Å; R33-E249 PolarHBondContact NH2-OE2 2.94Å
34Y98.4Very high97.2Very high5 Ų558.8 Ų58.82%0.0226%0.264CS..EExtended strand (participates in β ladder)trans-121.7140.5-170.6-52.4-73.1000112.1Q6 K7 V9 L26 D29 K32 I88 I248 E249Q6-Y34 PolarHBondContact NE2-O 2.8Å; K7-Y34 HydrophobicContact CB-CD1 4.13Å; K7-Y34 HydrophobicContact CD-CE1 4.46Å; K7-Y34 WeakPolarHBondContact O-CA 3.42Å; V9-Y34 HydrophobicContact CG2-CD1 3.64Å; V9-Y34 HydrophobicContact CG2-CG 4.23Å; L26-Y34 HydrophobicContact CB-CD2 4.08Å; L26-Y34 HydrophobicContact CB-CG 4.22Å; L26-Y34 HydrophobicContact CD2-CD2 4.02Å; L26-Y34 HydrophobicContact CD2-CE2 3.85Å; L26-Y34 WeakPolarHBondContact O-CD2 3.41Å; D29-Y34 HydrophobicContact CB-CD2 3.8Å; D29-Y34 HydrophobicContact CB-CE2 4.13Å; K32-Y34 PolarHBondContact O-N 2.68Å; Y34-I88 HydrophobicContact CE1-CD1 4.13Å; Y34-I248 HydrophobicContact CE1-CD1 3.72Å; Y34-E249 VanDerWaalsContact OH-CG 3.23Å; Y34-E249 WeakPolarHBondContact OH-CG 3.41Å; Y34-E249 PolarHBondContact OH-OE1 3.4Å
35H98.4Very high97Very high11 Ų1164.7 Ų64.75%0.05129%0.289CS..EExtended strand (participates in β ladder)trans-110.5103.6161-171.867.8000107.8A2 Q6 K7 V8 V9A2-H35 HydrophobicContact CB-CB 3.59Å; Q6-H35 HydrophobicContact CB-CB 4.41Å; K7-H35 PolarHBondContact O-N 3.1Å; V8-H35 WeakPolarHBondContact CA-O 3.25Å; V9-H35 PolarHBondContact N-O 3.19Å
36V98.8Very high96.9Very high0 Ų066.7 Ų66.70%029%0.294CS..EExtended strand (participates in β ladder)trans-89.9128.9-172.6-178.50000110V9 I11 A23 L26 A27 T60 L61 M62V9-V36 CarbonylContact O-C 3.56Å; V9-V36 WeakPolarHBondContact O-CA 3.38Å; I11-V36 HydrophobicContact CD1-CG1 3.76Å; I11-V36 HydrophobicContact CG1-CG1 4.39Å; A23-V36 HydrophobicContact CB-CG1 3.98Å; L26-V36 HydrophobicContact CB-CG2 3.65Å; A27-V36 HydrophobicContact CB-CB 4.33Å; A27-V36 HydrophobicContact CB-CG2 4.03Å; V36-T60 PolarHBondContact N-O 2.86Å; V36-L61 HydrophobicContact CB-CG 4.46Å; V36-L61 HydrophobicContact CG1-CD1 4.41Å; V36-L61 HydrophobicContact CG1-CG 4.43Å; V36-L61 CarbonylContact O-C 3.54Å; V36-L61 WeakPolarHBondContact O-CA 3.08Å; V36-M62 PolarHBondContact O-N 2.94Å
37I98.8Very high96.8Very high10 Ų1071.7 Ų71.75%0.05132%0.321CS..EExtended strand (participates in β ladder)trans-108.895.2169.1-53.5-179.7000105.5V8 V9 L10 I11 T39 L64 V81V8-I37 HydrophobicContact CG1-CD1 3.77Å; V8-I37 HydrophobicContact CG1-CG1 4.36Å; V9-I37 PolarHBondContact O-N 3.13Å; L10-I37 HydrophobicContact CD1-CB 3.72Å; L10-I37 HydrophobicContact CD1-CG2 3.46Å; L10-I37 VanDerWaalsContact CD1-CG2 3.46Å; I11-I37 PolarHBondContact N-O 3.34Å; I37-T39 HydrophobicContact CG2-CG2 4.25Å; I37-L64 HydrophobicContact CG2-CB 4.3Å; I37-L64 HydrophobicContact CG2-CD1 3.62Å; I37-L64 HydrophobicContact CG2-CG 3.88Å; I37-V81 HydrophobicContact CD1-CB 4.13Å; I37-V81 HydrophobicContact CD1-CG1 3.65Å; I37-V81 HydrophobicContact CD1-CG2 3.54Å
38A98.8Very high96.7Very high0 Ų076.1 Ų76.10%034%0.339CS..EExtended strand (participates in β ladder)trans-80.2136.6174.300000108.6C14 A23 L49 L61 M62 L63 L64C14-A38 HydrophobicContact CB-CB 3.84Å; A23-A38 HydrophobicContact CB-CB 4.04Å; A38-L49 HydrophobicContact CB-CD2 3.68Å; A38-L61 HydrophobicContact CB-CD1 4.42Å; A38-L61 HydrophobicContact CB-CD2 4.23Å; A38-L61 HydrophobicContact CB-CG 4.35Å; A38-M62 PolarHBondContact N-O 2.97Å; A38-L63 WeakPolarHBondContact O-CA 3.38Å; A38-L63 WeakPolarHBondContact O-CD1 3.19Å; A38-L64 PolarHBondContact O-N 2.69Å; A38-L64 VanDerWaalsContact O-N 3.07Å
39T98.8Very high96.7Very high1 Ų171 Ų711%0.00632%0.317CS..EExtended strand (participates in β ladder)trans-128.9152.9179.2800000112.9L10 I11 T12 G13 C14 I37 L64 L66L10-T39 HydrophobicContact CD1-CG2 3.5Å; I11-T39 PolarHBondContact O-N 3.32Å; I11-T39 PolarHBondContact O-OG1 3.16Å; I11-T39 VanDerWaalsContact O-OG1 3.06Å; T12-T39 WeakPolarHBondContact CA-OG1 3.44Å; G13-T39 PolarHBondContact N-O 3.16Å; C14-T39 WeakPolarHBondContact CB-O 3.35Å; C14-T39 PolarHBondContact N-O 2.95Å; I37-T39 HydrophobicContact CG2-CG2 4.25Å; T39-L64 VanDerWaalsContact CA-O 3.22Å; T39-L64 WeakPolarHBondContact CA-O 3.44Å; T39-L64 WeakPolarHBondContact CB-O 3.49Å; T39-L64 HydrophobicContact CG2-CB 4.33Å; T39-L66 HydrophobicContact CG2-CB 4.18Å; T39-L66 HydrophobicContact CG2-CD2 4.26Å; T39-L66 WeakPolarHBondContact OG1-CB 3.35Å; T39-L66 WeakPolarHBondContact OG1-CD2 3.44Å
40M97.9Very high96.8Very high2 Ų272.5 Ų72.51%0.0133%0.325CS..EExtended strand (participates in β ladder)trans-153.9152.617560.3-171.767.300110.2L43 K46 L49 L63 L64 P65 L66M40-L43 HydrophobicContact CG-CD2 3.88Å; M40-L43 HydrophobicContact SD-CD2 4.49Å; M40-K46 HydrophobicContact CE-CB 4.32Å; M40-K46 HydrophobicContact SD-CB 3.97Å; M40-L49 HydrophobicContact CE-CB 4.27Å; M40-L49 HydrophobicContact CE-CD2 3.59Å; M40-L63 HydrophobicContact CE-CD1 3.71Å; M40-L63 HydrophobicContact CG-CD1 4.15Å; M40-L63 HydrophobicContact SD-CD1 4.28Å; M40-L64 PolarHBondContact N-O 2.81Å; M40-P65 WeakPolarHBondContact O-CA 3.45Å; M40-L66 CarbonylContact C-O 3.57Å; M40-L66 PolarHBondContact O-N 3.08Å
41R94.9Very high96.9Very high165 Ų16571.2 Ų71.262%0.62332%0.319SS*.SBendtrans-65.5-43.8179.8-177.9172.164.8-161.60112.5L66 D67R41-L66 VanDerWaalsContact CA-O 3.25Å; R41-L66 WeakPolarHBondContact CA-O 3.45Å; R41-L66 PolarHBondContact N-O 3.28Å; R41-D67 VanDerWaalsContact CD-CG 3.47Å; R41-D67 WeakPolarHBondContact CD-OD2 3.49Å; R41-D67 HydrophobicContact CG-CB 3.99Å
42D94.8Very high97.1Very high67 Ų6764.9 Ų64.936%0.35830%0.296SS..  trans-117.7107.6-178-179.58.5000110.7K44 K45D42-K44 PolarHBondContact O-N 3.26Å; D42-K44 VanDerWaalsContact OD1-CB 3.23Å; D42-K44 WeakPolarHBondContact OD1-CB 3.44Å; D42-K44 VanDerWaalsContact OD1-CG 3.31Å; D42-K44 WeakPolarHBondContact OD1-CG 3.39Å; D42-K44 PolarHBondContact OD1-N 3.34Å; D42-K45 PolarHBondContact O-N 2.87Å; D42-K45 VanDerWaalsContact O-N 3.11Å
43L95.7Very high97.3Very high66 Ų6658 Ų5835%0.34627%0.267SS..G310 helixtrans-66.6-12.2179.5-63.7-179000113.4M40 K45 K46 L63 P65M40-L43 HydrophobicContact CG-CD2 3.88Å; M40-L43 HydrophobicContact SD-CD2 4.49Å; L43-K45 PolarHBondContact O-N 2.96Å; L43-K46 WeakPolarHBondContact O-CB 3.39Å; L43-K46 VanDerWaalsContact O-CD 3.32Å; L43-K46 WeakPolarHBondContact O-CD 3.49Å; L43-K46 WeakPolarHBondContact O-CG 3.27Å; L43-K46 PolarHBondContact O-N 3.42Å; L43-L63 HydrophobicContact CD2-CD1 4.02Å; L43-L63 HydrophobicContact CD2-CD2 3.86Å; L43-L63 HydrophobicContact CD2-CG 3.79Å; L43-P65 HydrophobicContact CD1-CB 4.12Å; L43-P65 HydrophobicContact CD1-CG 4.44Å; L43-P65 HydrophobicContact CD2-CB 4.44Å; L43-P65 HydrophobicContact CG-CB 4.23Å
44K96.5Very high97.3Very high176 Ų17656.6 Ų56.677%0.76527%0.274SS*.G310 helixtrans-65.7-16.9171.4-62175.4-179177.60112.3D42D42-K44 PolarHBondContact O-N 3.26Å; D42-K44 VanDerWaalsContact OD1-CB 3.23Å; D42-K44 WeakPolarHBondContact OD1-CB 3.44Å; D42-K44 VanDerWaalsContact OD1-CG 3.31Å; D42-K44 WeakPolarHBondContact OD1-CG 3.39Å; D42-K44 PolarHBondContact OD1-N 3.34Å
45K94.7Very high97.2Very high131 Ų13161.5 Ų61.557%0.5730%0.3SS*.G310 helixtrans-96.116.8178.3-59.2-173.5-179.8-1770113.7D42 L43 D47D42-K45 PolarHBondContact O-N 2.87Å; D42-K45 VanDerWaalsContact O-N 3.11Å; L43-K45 PolarHBondContact O-N 2.96Å; K45-D47 VanDerWaalsContact C-N 3.35Å; K45-D47 PolarHBondContact O-N 3.28Å
46K96.6Very high97.2Very high81 Ų8161.2 Ų61.235%0.35230%0.3SS..  trans-74.2-21-174.570.1-172.7179.8-1790114.6M40 L43 K48 L49 L50 L63M40-K46 HydrophobicContact CE-CB 4.32Å; M40-K46 HydrophobicContact SD-CB 3.97Å; L43-K46 WeakPolarHBondContact O-CB 3.39Å; L43-K46 VanDerWaalsContact O-CD 3.32Å; L43-K46 WeakPolarHBondContact O-CD 3.49Å; L43-K46 WeakPolarHBondContact O-CG 3.27Å; L43-K46 PolarHBondContact O-N 3.42Å; K46-K48 PolarHBondContact O-N 3.16Å; K46-L49 WeakPolarHBondContact O-CB 3.41Å; K46-L49 PolarHBondContact O-N 3.44Å; K46-L50 HydrophobicContact CB-CD1 4.43Å; K46-L50 HydrophobicContact CB-CG 4.33Å; K46-L50 HydrophobicContact CD-CD1 3.85Å; K46-L50 HydrophobicContact CG-CD1 3.84Å; K46-L50 HydrophobicContact CG-CG 4.24Å; K46-L50 WeakPolarHBondContact O-CG 3.42Å; K46-L50 PolarHBondContact O-N 3.23Å; K46-L63 HydrophobicContact CB-CD2 3.61Å; K46-L63 HydrophobicContact CD-CD2 3.92Å; K46-L63 HydrophobicContact CG-CD2 4.38Å
47D97.3Very high97.1Very high107 Ų10766 Ų6657%0.57232%0.319SS*.Hα-helixtrans-57.7-45.4-164.3-61.3-22.5000113.1K45 L49 L50 E51K45-D47 VanDerWaalsContact C-N 3.35Å; K45-D47 PolarHBondContact O-N 3.28Å; D47-L49 VanDerWaalsContact C-N 3.3Å; D47-L49 PolarHBondContact O-N 2.86Å; D47-L50 PolarHBondContact O-N 2.92Å; D47-E51 WeakPolarHBondContact O-CB 3.33Å; D47-E51 PolarHBondContact O-N 3.29Å
48K96.4Very high97Very high96 Ų9668 Ų6842%0.41734%0.341SS..Hα-helixtrans-59.6-39.6177-64.6-172.4-178.9-173.20112.8L20 K46 A52 E193L20-K48 HydrophobicContact CD1-CB 3.86Å; K46-K48 PolarHBondContact O-N 3.16Å; K48-A52 VanDerWaalsContact O-CB 3.24Å; K48-A52 WeakPolarHBondContact O-CB 3.26Å; K48-A52 PolarHBondContact O-N 3.46Å; K48-E193 IonicContact NZ-OE1 3.81Å; K48-E193 PolarHBondContact NZ-OE1 2.97Å; K48-E193 IonicContact NZ-OE2 3.6Å; K48-E193 PolarHBondContact NZ-OE2 2.85Å
49L97.9Very high96.8Very high0 Ų074 Ų740%037%0.368CS..Hα-helixtrans-67.9-44.9177.6175.669.9000110.5C14 L20 A23 V24 A38 M40 K46 D47 A52 A53 L61 L63C14-L49 HydrophobicContact CB-CD2 4.18Å; L20-L49 HydrophobicContact CD1-CB 4.18Å; L20-L49 HydrophobicContact CG-CB 4.31Å; L20-L49 HydrophobicContact CG-CD1 3.92Å; A23-L49 HydrophobicContact CB-CD1 4.12Å; V24-L49 HydrophobicContact CG2-CD1 4.1Å; A38-L49 HydrophobicContact CB-CD2 3.68Å; M40-L49 HydrophobicContact CE-CB 4.27Å; M40-L49 HydrophobicContact CE-CD2 3.59Å; K46-L49 WeakPolarHBondContact O-CB 3.41Å; K46-L49 PolarHBondContact O-N 3.44Å; D47-L49 VanDerWaalsContact C-N 3.3Å; D47-L49 PolarHBondContact O-N 2.86Å; L49-A52 PolarHBondContact O-N 3Å; L49-A53 WeakPolarHBondContact O-CB 3.36Å; L49-A53 PolarHBondContact O-N 3.1Å; L49-L61 HydrophobicContact CD1-CD1 4.25Å; L49-L61 HydrophobicContact CD2-CD2 4.46Å; L49-L63 HydrophobicContact CD2-CD1 4.11Å
50L97.9Very high96.7Very high39 Ų3974.7 Ų74.720%0.20437%0.372CS..Hα-helixtrans-65.5-43.5-179.1-62.6-171.3000111.6K46 D47 A53 G54 Y57K46-L50 HydrophobicContact CB-CD1 4.43Å; K46-L50 HydrophobicContact CB-CG 4.33Å; K46-L50 HydrophobicContact CD-CD1 3.85Å; K46-L50 HydrophobicContact CG-CD1 3.84Å; K46-L50 HydrophobicContact CG-CG 4.24Å; K46-L50 WeakPolarHBondContact O-CG 3.42Å; K46-L50 PolarHBondContact O-N 3.23Å; D47-L50 PolarHBondContact O-N 2.92Å; L50-A53 PolarHBondContact O-N 3.43Å; L50-G54 PolarHBondContact O-N 3.32Å; L50-Y57 HydrophobicContact CD2-CD1 3.98Å; L50-Y57 HydrophobicContact CD2-CD2 3.48Å; L50-Y57 VanDerWaalsContact CD2-CD2 3.48Å; L50-Y57 HydrophobicContact CD2-CE1 4.01Å; L50-Y57 HydrophobicContact CD2-CE2 3.51Å; L50-Y57 HydrophobicContact CD2-CG 3.72Å
51E98Very high96.8Very high164 Ų16474.6 Ų74.677%0.76637%0.371SS*.Hα-helixtrans-58.9-50.5174.3-175.1-175.3169.600111D47 A53 G54D47-E51 WeakPolarHBondContact O-CB 3.33Å; D47-E51 PolarHBondContact O-N 3.29Å; E51-A53 VanDerWaalsContact C-N 3.31Å; E51-A53 PolarHBondContact O-N 2.99Å; E51-G54 PolarHBondContact O-N 3.03Å
52A97.9Very high96.9Very high27 Ų2770.1 Ų70.122%0.22336%0.358CS..Hα-helixtrans-66.4-32.3179.900000112.9L20 V24 K28 K48 L49L20-A52 HydrophobicContact CD2-CB 4.06Å; V24-A52 HydrophobicContact CG1-CB 4.48Å; V24-A52 VanDerWaalsContact CG1-O 3.32Å; V24-A52 WeakPolarHBondContact CG1-O 3.39Å; V24-A52 HydrophobicContact CG2-CB 3.74Å; K28-A52 WeakPolarHBondContact CE-O 3.4Å; K28-A52 PolarHBondContact NZ-O 3Å; K48-A52 VanDerWaalsContact O-CB 3.24Å; K48-A52 WeakPolarHBondContact O-CB 3.26Å; K48-A52 PolarHBondContact O-N 3.46Å; L49-A52 PolarHBondContact O-N 3Å
53A97.7Very high97.1Very high0 Ų068.1 Ų68.10%035%0.347CS..Hα-helixtrans-71.9-37.2175.700000112.1K28 L49 L50 E51 D55 A56 L61K28-A53 WeakPolarHBondContact CE-O 3.26Å; L49-A53 WeakPolarHBondContact O-CB 3.36Å; L49-A53 PolarHBondContact O-N 3.1Å; L50-A53 PolarHBondContact O-N 3.43Å; E51-A53 VanDerWaalsContact C-N 3.31Å; E51-A53 PolarHBondContact O-N 2.99Å; A53-D55 PolarHBondContact O-N 2.76Å; A53-A56 VanDerWaalsContact O-CB 3.28Å; A53-A56 WeakPolarHBondContact O-CB 3.46Å; A53-A56 PolarHBondContact O-N 2.68Å; A53-L61 HydrophobicContact CB-CD1 4.17Å
54G97.9Very high97.2Very high40 Ų4066.5 Ų66.541%0.41234%0.339SS..G310 helixtrans54.7-127.9-177.300000111.7L50 E51 A56 Y57L50-G54 PolarHBondContact O-N 3.32Å; E51-G54 PolarHBondContact O-N 3.03Å; G54-A56 PolarHBondContact O-N 3.42Å; G54-Y57 PolarHBondContact O-N 2.9Å
55D96.4Very high97.3Very high109 Ų10961.2 Ų61.258%0.58332%0.323SS*.G310 helixtrans-71.7-8.6-17784.1-52.3000114.5A53 Y57 K59A53-D55 PolarHBondContact O-N 2.76Å; D55-Y57 VanDerWaalsContact C-N 3.28Å; D55-K59 WeakPolarHBondContact O-CD 3.29Å; D55-K59 WeakPolarHBondContact O-CE 3.07Å; D55-K59 WeakPolarHBondContact O-CG 3.47Å; D55-K59 PolarHBondContact O-NZ 2.9Å; D55-K59 IonicContact OD2-NZ 2.81Å; D55-K59 PolarHBondContact OD2-NZ 3.02Å
56A97.3Very high97.5Very high5 Ų555.2 Ų55.24%0.04130%0.297CS..G310 helixtrans-70-27.5172.700000111.7A27 K28 A53 G54 G58 K59 T60 L61A27-A56 HydrophobicContact CB-CB 4.11Å; K28-A56 HydrophobicContact CG-CB 4.11Å; A53-A56 VanDerWaalsContact O-CB 3.28Å; A53-A56 WeakPolarHBondContact O-CB 3.46Å; A53-A56 PolarHBondContact O-N 2.68Å; G54-A56 PolarHBondContact O-N 3.42Å; A56-G58 PolarHBondContact O-N 2.84Å; A56-K59 PolarHBondContact O-N 2.9Å; A56-K59 VanDerWaalsContact O-N 3.1Å; A56-T60 PolarHBondContact O-N 2.89Å; A56-L61 PolarHBondContact O-N 2.72Å
57Y97.6Very high97.6Very high100 Ų10053.6 Ų53.639%0.39229%0.292SS..BIsolated β-bridgetrans-64.9132.7176.6-178.9-115.4000111.1L50 G54 D55 K59 L61 L63L50-Y57 HydrophobicContact CD2-CD1 3.98Å; L50-Y57 HydrophobicContact CD2-CD2 3.48Å; L50-Y57 VanDerWaalsContact CD2-CD2 3.48Å; L50-Y57 HydrophobicContact CD2-CE1 4.01Å; L50-Y57 HydrophobicContact CD2-CE2 3.51Å; L50-Y57 HydrophobicContact CD2-CG 3.72Å; G54-Y57 PolarHBondContact O-N 2.9Å; D55-Y57 VanDerWaalsContact C-N 3.28Å; Y57-K59 PolarHBondContact O-N 2.94Å; Y57-L61 WeakPolarHBondContact CA-O 3.35Å; Y57-L61 HydrophobicContact CD2-CD2 3.82Å; Y57-L63 HydrophobicContact CE2-CB 4.06Å
58G95Very high97.6Very high51 Ų5149 Ų4953%0.52627%0.267SS..THydrogen-bonded Turntrans78.7-9.1-17400000114.6A56 L61A56-G58 PolarHBondContact O-N 2.84Å; G58-L61 PolarHBondContact N-O 3.19Å
59K95.6Very high97.7Very high127 Ų12746 Ų4655%0.55226%0.259SS*.THydrogen-bonded Turntrans-108.4-70.9176.1-58.3-177.1-161.81630111.2D55 A56 Y57D55-K59 WeakPolarHBondContact O-CD 3.29Å; D55-K59 WeakPolarHBondContact O-CE 3.07Å; D55-K59 WeakPolarHBondContact O-CG 3.47Å; D55-K59 PolarHBondContact O-NZ 2.9Å; D55-K59 IonicContact OD2-NZ 2.81Å; D55-K59 PolarHBondContact OD2-NZ 3.02Å; A56-K59 PolarHBondContact O-N 2.9Å; A56-K59 VanDerWaalsContact O-N 3.1Å; Y57-K59 PolarHBondContact O-N 2.94Å
60T97.5Very high97.8Very high15 Ų1547.6 Ų47.69%0.09227%0.27CS..THydrogen-bonded Turntrans-110.7-10-177.450.80000112.4A27 V36 A56A27-T60 WeakPolarHBondContact O-CB 3.34Å; A27-T60 PolarHBondContact O-OG1 3.14Å; V36-T60 PolarHBondContact N-O 2.86Å; A56-T60 PolarHBondContact O-N 2.89Å
61L98.4Very high97.8Very high0 Ų050.3 Ų50.30%028%0.284CS..EExtended strand (participates in β ladder)trans-122.9127.5172-168.5148.2000110.9A23 A27 V36 A38 L49 A53 A56 Y57 G58A23-L61 HydrophobicContact CB-CD1 4.07Å; A27-L61 HydrophobicContact CB-CB 3.71Å; A27-L61 HydrophobicContact CB-CD1 3.9Å; A27-L61 HydrophobicContact CB-CG 4.36Å; V36-L61 HydrophobicContact CB-CG 4.46Å; V36-L61 HydrophobicContact CG1-CD1 4.41Å; V36-L61 HydrophobicContact CG1-CG 4.43Å; V36-L61 CarbonylContact O-C 3.54Å; V36-L61 WeakPolarHBondContact O-CA 3.08Å; A38-L61 HydrophobicContact CB-CD1 4.42Å; A38-L61 HydrophobicContact CB-CD2 4.23Å; A38-L61 HydrophobicContact CB-CG 4.35Å; L49-L61 HydrophobicContact CD1-CD1 4.25Å; L49-L61 HydrophobicContact CD2-CD2 4.46Å; A53-L61 HydrophobicContact CB-CD1 4.17Å; A56-L61 PolarHBondContact O-N 2.72Å; Y57-L61 WeakPolarHBondContact CA-O 3.35Å; Y57-L61 HydrophobicContact CD2-CD2 3.82Å; G58-L61 PolarHBondContact N-O 3.19Å
62M97.9Very high97.8Very high71 Ų7148.9 Ų48.935%0.3528%0.278SS..EExtended strand (participates in β ladder)trans-116.5154.7169.7-60.8-59-62.300109.5V36 A38V36-M62 PolarHBondContact O-N 2.94Å; A38-M62 PolarHBondContact N-O 2.97Å
63L98.3Very high97.9Very high25 Ų2548.8 Ų48.813%0.13128%0.275CS..EExtended strand (participates in β ladder)trans-116.2128.9178.6178.761000109.8A38 M40 L43 K46 L49 Y57A38-L63 WeakPolarHBondContact O-CA 3.38Å; A38-L63 WeakPolarHBondContact O-CD1 3.19Å; M40-L63 HydrophobicContact CE-CD1 3.71Å; M40-L63 HydrophobicContact CG-CD1 4.15Å; M40-L63 HydrophobicContact SD-CD1 4.28Å; L43-L63 HydrophobicContact CD2-CD1 4.02Å; L43-L63 HydrophobicContact CD2-CD2 3.86Å; L43-L63 HydrophobicContact CD2-CG 3.79Å; K46-L63 HydrophobicContact CB-CD2 3.61Å; K46-L63 HydrophobicContact CD-CD2 3.92Å; K46-L63 HydrophobicContact CG-CD2 4.38Å; L49-L63 HydrophobicContact CD2-CD1 4.11Å; Y57-L63 HydrophobicContact CE2-CB 4.06Å
64L98.3Very high97.9Very high33 Ų3348.9 Ų48.917%0.17328%0.276CS..EExtended strand (participates in β ladder)trans-127147.1171.4-65.7-178.7000111I37 A38 T39 M40 N80I37-L64 HydrophobicContact CG2-CB 4.3Å; I37-L64 HydrophobicContact CG2-CD1 3.62Å; I37-L64 HydrophobicContact CG2-CG 3.88Å; A38-L64 PolarHBondContact O-N 2.69Å; A38-L64 VanDerWaalsContact O-N 3.07Å; T39-L64 VanDerWaalsContact CA-O 3.22Å; T39-L64 WeakPolarHBondContact CA-O 3.44Å; T39-L64 WeakPolarHBondContact CB-O 3.49Å; T39-L64 HydrophobicContact CG2-CB 4.33Å; M40-L64 PolarHBondContact N-O 2.81Å; L64-N80 HydrophobicContact CD1-CB 3.96Å; L64-N80 HydrophobicContact CD2-CB 4.32Å
65P98.3Very high98Very high65 Ų6552.8 Ų52.842%0.42228%0.282SS..EExtended strand (participates in β ladder)trans-69.5140.2169.430.6-33.1000110.1M40 L43M40-P65 WeakPolarHBondContact O-CA 3.45Å; L43-P65 HydrophobicContact CD1-CB 4.12Å; L43-P65 HydrophobicContact CD1-CG 4.44Å; L43-P65 HydrophobicContact CD2-CB 4.44Å; L43-P65 HydrophobicContact CG-CB 4.23Å
66L98.8Very high98.1Very high5 Ų553.3 Ų53.33%0.02628%0.281CS..  trans-155.1119.4172.6178.167000110.6T12 T39 M40 R41 V68 V74 C77 M123T12-L66 HydrophobicContact CG2-CD2 3.63Å; T39-L66 HydrophobicContact CG2-CB 4.18Å; T39-L66 HydrophobicContact CG2-CD2 4.26Å; T39-L66 WeakPolarHBondContact OG1-CB 3.35Å; T39-L66 WeakPolarHBondContact OG1-CD2 3.44Å; M40-L66 CarbonylContact C-O 3.57Å; M40-L66 PolarHBondContact O-N 3.08Å; R41-L66 VanDerWaalsContact CA-O 3.25Å; R41-L66 WeakPolarHBondContact CA-O 3.45Å; R41-L66 PolarHBondContact N-O 3.28Å; L66-V68 HydrophobicContact CD2-CG1 4.02Å; L66-V68 HydrophobicContact CG-CG1 4.2Å; L66-V74 HydrophobicContact CD1-CB 4.3Å; L66-V74 HydrophobicContact CD1-CG2 3.9Å; L66-C77 HydrophobicContact CB-CB 4.39Å; L66-C77 HydrophobicContact CD1-CB 3.7Å; L66-M123 HydrophobicContact CD1-SD 4.04Å; L66-M123 HydrophobicContact CD2-CE 4.12Å; L66-M123 HydrophobicContact CD2-SD 3.73Å; L66-M123 HydrophobicContact CG-SD 4.46Å
67D98.6Very high98.1Very high47 Ų4753.2 Ų53.225%0.25128%0.28SS..  trans-101.4112.7160.8-165.5-12.3000109.7R41 C69 S70 S73R41-D67 VanDerWaalsContact CD-CG 3.47Å; R41-D67 WeakPolarHBondContact CD-OD2 3.49Å; R41-D67 HydrophobicContact CG-CB 3.99Å; D67-C69 PolarHBondContact O-N 3.3Å; D67-C69 WeakPolarHBondContact OD1-CB 3.23Å; D67-C69 PolarHBondContact OD1-N 3.11Å; D67-S70 PolarHBondContact O-N 3.35Å; D67-S70 VanDerWaalsContact O-N 3.16Å; D67-S73 PolarHBondContact N-OG 3.06Å
68V98.7Very high98.2Very high9 Ų948.5 Ų48.56%0.05526%0.261CS..THydrogen-bonded Turntrans-68.6-12.2179.3-61.20000112.7T12 L66 A93 T115 G119 R122 M123T12-V68 HydrophobicContact CG2-CG1 4.1Å; L66-V68 HydrophobicContact CD2-CG1 4.02Å; L66-V68 HydrophobicContact CG-CG1 4.2Å; V68-A93 HydrophobicContact CG1-CB 4.09Å; V68-A93 HydrophobicContact CG2-CB 4.1Å; V68-T115 HydrophobicContact CG2-CG2 4.1Å; V68-G119 VanDerWaalsContact O-CA 3.28Å; V68-G119 WeakPolarHBondContact O-CA 3.41Å; V68-R122 VanDerWaalsContact O-CD 3.3Å; V68-R122 WeakPolarHBondContact O-CD 3.43Å; V68-R122 PolarHBondContact O-NH1 2.83Å; V68-M123 HydrophobicContact CG1-CG 4.16Å
69C98.6Very high98.3Very high34 Ų3450 Ų5023%0.2326%0.257CS..THydrogen-bonded Turntrans-82.1-10.1174.7-68.20000113.5D67 D114D67-C69 PolarHBondContact O-N 3.3Å; D67-C69 WeakPolarHBondContact OD1-CB 3.23Å; D67-C69 PolarHBondContact OD1-N 3.11Å; C69-D114 VanDerWaalsContact CB-OD2 3.26Å; C69-D114 WeakPolarHBondContact CB-OD2 3.41Å; C69-D114 PolarHBondContact SG-OD2 3.15Å
70S98.6Very high98.4Very high33 Ų3348.8 Ų48.823%0.23126%0.257CS..  trans-115.5124-178.8164.30000111.6D67 E72 S73 V74D67-S70 PolarHBondContact O-N 3.35Å; D67-S70 VanDerWaalsContact O-N 3.16Å; S70-E72 VanDerWaalsContact C-N 3.27Å; S70-E72 PolarHBondContact O-N 2.86Å; S70-E72 PolarHBondContact OG-N 2.97Å; S70-E72 PolarHBondContact OG-OE2 2.92Å; S70-E72 VanDerWaalsContact OG-OE2 3.07Å; S70-S73 PolarHBondContact O-N 3.39Å; S70-S73 PolarHBondContact OG-N 3.37Å; S70-V74 VanDerWaalsContact O-CG2 3.27Å; S70-V74 WeakPolarHBondContact O-CG2 3.49Å; S70-V74 PolarHBondContact O-N 3.05Å
71D98.4Very high98.4Very high96 Ų9648.4 Ų48.451%0.51325%0.254SS..Hα-helixtrans-61.4-38.6175.6-68.1-20.4000111.1K75 R122D71-K75 VanDerWaalsContact O-CB 3.31Å; D71-K75 WeakPolarHBondContact O-CB 3.27Å; D71-K75 PolarHBondContact O-N 3.12Å; D71-R122 WeakPolarHBondContact OD1-CD 3.28Å; D71-R122 VanDerWaalsContact OD1-CG 3.28Å; D71-R122 WeakPolarHBondContact OD1-CG 2.98Å; D71-R122 IonicContact OD1-NE 3.6Å; D71-R122 PolarHBondContact OD1-NE 2.81Å
72E98.6Very high98.2Very high134 Ų13453.9 Ų53.963%0.62628%0.278SS*.Hα-helixtrans-64-47.2177-6270.6-153.600111.2S70 V74 K75 E76S70-E72 VanDerWaalsContact C-N 3.27Å; S70-E72 PolarHBondContact O-N 2.86Å; S70-E72 PolarHBondContact OG-N 2.97Å; S70-E72 PolarHBondContact OG-OE2 2.92Å; S70-E72 VanDerWaalsContact OG-OE2 3.07Å; E72-V74 PolarHBondContact O-N 3.49Å; E72-K75 PolarHBondContact O-N 3.45Å; E72-E76 WeakPolarHBondContact O-CB 3.32Å; E72-E76 PolarHBondContact O-N 3.22Å
73S98.8Very high98Very high25 Ų2556.7 Ų56.718%0.17530%0.295CS..Hα-helixtrans-63.5-41.7179.1-172.40000111.8D67 S70 E76 C77D67-S73 PolarHBondContact N-OG 3.06Å; S70-S73 PolarHBondContact O-N 3.39Å; S70-S73 PolarHBondContact OG-N 3.37Å; S73-E76 PolarHBondContact O-N 3.03Å; S73-C77 VanDerWaalsContact O-CB 3.31Å; S73-C77 WeakPolarHBondContact O-CB 3.31Å; S73-C77 PolarHBondContact O-N 2.82Å
74V98.9Very high97.9Very high3 Ų359.3 Ų59.32%0.01830%0.303CS..Hα-helixtrans-59.5-50.2174.7168.70000110.9L66 S70 E72 C77 V78 R122 M123 E126L66-V74 HydrophobicContact CD1-CB 4.3Å; L66-V74 HydrophobicContact CD1-CG2 3.9Å; S70-V74 VanDerWaalsContact O-CG2 3.27Å; S70-V74 WeakPolarHBondContact O-CG2 3.49Å; S70-V74 PolarHBondContact O-N 3.05Å; E72-V74 PolarHBondContact O-N 3.49Å; V74-C77 PolarHBondContact O-N 3.35Å; V74-V78 WeakPolarHBondContact O-CG2 3.32Å; V74-V78 PolarHBondContact O-N 3.3Å; V74-R122 HydrophobicContact CG2-CB 4.19Å; V74-M123 HydrophobicContact CB-SD 4.25Å; V74-M123 HydrophobicContact CG1-SD 3.7Å; V74-M123 HydrophobicContact CG2-SD 3.79Å; V74-E126 HydrophobicContact CG1-CB 3.63Å; V74-E126 HydrophobicContact CG1-CG 3.84Å
75K98.6Very high97.8Very high121 Ų12160.7 Ų60.753%0.52631%0.308SS..Hα-helixtrans-63.1-43.9-180-176.2176.3-178.8-179.50112.2D71 E72 V78 N79D71-K75 VanDerWaalsContact O-CB 3.31Å; D71-K75 WeakPolarHBondContact O-CB 3.27Å; D71-K75 PolarHBondContact O-N 3.12Å; E72-K75 PolarHBondContact O-N 3.45Å; K75-V78 PolarHBondContact O-N 3.47Å; K75-N79 WeakPolarHBondContact O-CB 3.4Å; K75-N79 PolarHBondContact O-N 3.29Å; K75-N79 PolarHBondContact O-ND2 3.2Å
76E98.5Very high97.9Very high120 Ų12057.7 Ų57.756%0.56129%0.289SS*.Hα-helixtrans-63.1-45.8177.4-175.1177-178.400111.4E72 S73 V78 N79 N80E72-E76 WeakPolarHBondContact O-CB 3.32Å; E72-E76 PolarHBondContact O-N 3.22Å; S73-E76 PolarHBondContact O-N 3.03Å; E76-V78 VanDerWaalsContact C-N 3.35Å; E76-V78 PolarHBondContact O-N 3.46Å; E76-N79 PolarHBondContact O-N 3.43Å; E76-N80 PolarHBondContact O-N 2.97Å; E76-N80 PolarHBondContact O-ND2 3.47Å
77C98.7Very high97.9Very high3 Ų358.7 Ų58.72%0.0229%0.294CS..Hα-helixtrans-57.9-47177179.60000111.5L66 S73 V74 N80L66-C77 HydrophobicContact CB-CB 4.39Å; L66-C77 HydrophobicContact CD1-CB 3.7Å; S73-C77 VanDerWaalsContact O-CB 3.31Å; S73-C77 WeakPolarHBondContact O-CB 3.31Å; S73-C77 PolarHBondContact O-N 2.82Å; V74-C77 PolarHBondContact O-N 3.35Å; C77-N80 PolarHBondContact O-N 3.44Å
78V98.6Very high97.9Very high1 Ų156.6 Ų56.61%0.00628%0.283CS..Hα-helixtrans-69.5-36.3-179.8175.80000111.8L10 V74 K75 E76 N80 V81 R84 I86 M123 E126 V127L10-V78 HydrophobicContact CD2-CG2 4.26Å; V74-V78 WeakPolarHBondContact O-CG2 3.32Å; V74-V78 PolarHBondContact O-N 3.3Å; K75-V78 PolarHBondContact O-N 3.47Å; E76-V78 VanDerWaalsContact C-N 3.35Å; E76-V78 PolarHBondContact O-N 3.46Å; V78-N80 PolarHBondContact O-N 3.1Å; V78-V81 WeakPolarHBondContact O-CB 3.41Å; V78-V81 PolarHBondContact O-N 3.42Å; V78-R84 HydrophobicContact CG1-CB 4.22Å; V78-R84 HydrophobicContact CG1-CG 4.35Å; V78-I86 HydrophobicContact CG1-CD1 4.17Å; V78-I86 HydrophobicContact CG2-CD1 4.2Å; V78-M123 HydrophobicContact CG2-CE 4.49Å; V78-E126 HydrophobicContact CB-CG 3.72Å; V78-E126 HydrophobicContact CG1-CG 4.03Å; V78-E126 HydrophobicContact CG2-CB 4.41Å; V78-E126 HydrophobicContact CG2-CG 3.55Å; V78-V127 HydrophobicContact CG2-CG1 4.25Å
79N98.1Very high97.9Very high84 Ų8456.2 Ų56.245%0.44928%0.28SS..Hα-helixtrans-62.1-30.6173.6-79.9-26.9000113.6K75 E76 V81 R84K75-N79 WeakPolarHBondContact O-CB 3.4Å; K75-N79 PolarHBondContact O-N 3.29Å; K75-N79 PolarHBondContact O-ND2 3.2Å; E76-N79 PolarHBondContact O-N 3.43Å; N79-V81 PolarHBondContact O-N 3.4Å; N79-R84 PolarHBondContact OD1-NH1 3.03Å
80N97.7Very high97.9Very high101 Ų10154.6 Ų54.654%0.5427%0.269SS..THydrogen-bonded Turntrans-77.7-8.8176.1-79.8-71.4000113.2L64 E76 C77 V78L64-N80 HydrophobicContact CD1-CB 3.96Å; L64-N80 HydrophobicContact CD2-CB 4.32Å; E76-N80 PolarHBondContact O-N 2.97Å; E76-N80 PolarHBondContact O-ND2 3.47Å; C77-N80 PolarHBondContact O-N 3.44Å; V78-N80 PolarHBondContact O-N 3.1Å
81V97.3Very high97.9Very high6 Ų653.2 Ų53.24%0.03626%0.259CS..SBendtrans-79.7129.4169.3-173.60000108.7V8 I37 V78 N79 D83 R84 H85 I86V8-V81 HydrophobicContact CG1-CG1 4.03Å; I37-V81 HydrophobicContact CD1-CB 4.13Å; I37-V81 HydrophobicContact CD1-CG1 3.65Å; I37-V81 HydrophobicContact CD1-CG2 3.54Å; V78-V81 WeakPolarHBondContact O-CB 3.41Å; V78-V81 PolarHBondContact O-N 3.42Å; N79-V81 PolarHBondContact O-N 3.4Å; V81-D83 PolarHBondContact O-N 3.07Å; V81-R84 WeakPolarHBondContact O-CA 3.49Å; V81-R84 PolarHBondContact O-N 3.03Å; V81-H85 WeakPolarHBondContact CG1-O 3.4Å; V81-I86 HydrophobicContact CG1-CG1 4.16Å; V81-I86 HydrophobicContact CG2-CD1 4.43Å
82K93.9Very high97.9Very high115 Ų11549.7 Ų49.750%0.524%0.241SC..G310 helixtrans-51.8127.8179.2-174.6-174.5177.7176.90110.5M1 R84 H85M1-K82 HydrophobicContact CE-CD 4.41Å; M1-K82 HydrophobicContact CG-CD 4.18Å; M1-K82 HydrophobicContact SD-CD 3.77Å; K82-R84 PolarHBondContact O-N 3.19Å; K82-H85 PolarHBondContact O-N 3.22Å
83D93.4Very high97.9Very high130 Ų13044.2 Ų44.270%0.69522%0.218SC*.G310 helixtrans55.616.8-178.3-52.3-43.3000113.9V81 H85V81-D83 PolarHBondContact O-N 3.07Å; D83-H85 HydrophobicContact CB-CB 4.41Å; D83-H85 PolarHBondContact O-N 2.92Å; D83-H85 VanDerWaalsContact O-N 3.1Å
84R96.3Very high97.7Very high81 Ų8144.8 Ų44.831%0.30623%0.228SC..G310 helixtrans52.921.7-169.4-62.7172.851.396.34.6113.4V78 N79 V81 K82 I86 E126V78-R84 HydrophobicContact CG1-CB 4.22Å; V78-R84 HydrophobicContact CG1-CG 4.35Å; N79-R84 PolarHBondContact OD1-NH1 3.03Å; V81-R84 WeakPolarHBondContact O-CA 3.49Å; V81-R84 PolarHBondContact O-N 3.03Å; K82-R84 PolarHBondContact O-N 3.19Å; R84-I86 PolarHBondContact O-N 3.33Å; R84-E126 IonicContact CZ-OE1 3.34Å; R84-E126 IonicContact NH1-OE1 3.7Å; R84-E126 PolarHBondContact NH1-OE1 3.02Å; R84-E126 PolarHBondContact NH2-O 3.17Å; R84-E126 IonicContact NH2-OE1 3.75Å; R84-E126 PolarHBondContact NH2-OE1 3.32Å
85H97.3Very high97.5Very high62 Ų6246.6 Ų46.629%0.28724%0.239SC..  trans-83.9115.3-169.9-170.179.9000111.6V8 V81 K82 D83 D87 D130 R134V8-H85 WeakPolarHBondContact CB-O 3.48Å; V8-H85 WeakPolarHBondContact CG1-O 3.25Å; V81-H85 WeakPolarHBondContact CG1-O 3.4Å; K82-H85 PolarHBondContact O-N 3.22Å; D83-H85 HydrophobicContact CB-CB 4.41Å; D83-H85 PolarHBondContact O-N 2.92Å; D83-H85 VanDerWaalsContact O-N 3.1Å; H85-D87 IonicContact CD2-OD2 3.28Å; H85-D87 IonicContact NE2-OD1 3.36Å; H85-D87 PolarHBondContact NE2-OD1 2.73Å; H85-D87 IonicContact NE2-OD2 3.19Å; H85-D130 IonicContact ND1-OD2 2.66Å; H85-R134 PolarHBondContact CE1-NH1 3.3Å; H85-R134 PolarHBondContact NE2-NH1 3.07Å
86I98.7Very high97.2Very high2 Ų241.7 Ų41.71%0.0122%0.222CC..  trans-126.6120178.4-63.2161.2000108.8L10 V78 V81 R84 I88 L89 V127 M131 R134L10-I86 HydrophobicContact CB-CD1 4.25Å; L10-I86 HydrophobicContact CB-CG1 4.4Å; L10-I86 HydrophobicContact CB-CG2 4.03Å; L10-I86 HydrophobicContact CD2-CD1 3.64Å; V78-I86 HydrophobicContact CG1-CD1 4.17Å; V78-I86 HydrophobicContact CG2-CD1 4.2Å; V81-I86 HydrophobicContact CG1-CG1 4.16Å; V81-I86 HydrophobicContact CG2-CD1 4.43Å; R84-I86 PolarHBondContact O-N 3.33Å; I86-I88 WeakPolarHBondContact CG2-O 3.22Å; I86-L89 HydrophobicContact CG2-CB 4.42Å; I86-V127 HydrophobicContact CD1-CB 4.45Å; I86-V127 HydrophobicContact CD1-CG1 3.55Å; I86-M131 HydrophobicContact CG2-CE 4.27Å; I86-M131 WeakPolarHBondContact O-CE 3.37Å; I86-R134 PolarHBondContact O-NH2 3.29Å
87D98.8Very high97Very high26 Ų2637.3 Ų37.314%0.13920%0.203CC..SBendtrans-82.5-40.5175.6-67.1-62.2000112.6K7 V8 H85 R134 G137 H138K7-D87 VanDerWaalsContact CA-OD2 3.29Å; K7-D87 WeakPolarHBondContact CA-OD2 3.28Å; K7-D87 HydrophobicContact CB-CB 3.91Å; K7-D87 HydrophobicContact CG-CB 4.3Å; V8-D87 PolarHBondContact N-OD2 3.29Å; V8-D87 WeakPolarHBondContact O-CA 3.37Å; V8-D87 WeakPolarHBondContact O-CB 3.49Å; V8-D87 PolarHBondContact O-N 3.47Å; H85-D87 IonicContact CD2-OD2 3.28Å; H85-D87 IonicContact NE2-OD1 3.36Å; H85-D87 PolarHBondContact NE2-OD1 2.73Å; H85-D87 IonicContact NE2-OD2 3.19Å; D87-R134 VanDerWaalsContact CA-NH2 3.28Å; D87-R134 IonicContact OD1-CZ 3.92Å; D87-R134 IonicContact OD1-NH1 2.78Å; D87-R134 PolarHBondContact OD1-NH1 3.47Å; D87-R134 IonicContact OD1-NH2 3.43Å; D87-R134 PolarHBondContact OD1-NH2 2.87Å; D87-G137 WeakPolarHBondContact O-CA 3.5Å; D87-H138 PolarHBondContact O-N 3.08Å
88I98.9Very high96.8Very high3 Ų337.5 Ų37.52%0.01520%0.204CC..EExtended strand (participates in β ladder)trans-133.7118.2-176.5-52.5175.1000108.4K7 V8 V9 L10 Y34 I86 I90 H138 V140 I248K7-I88 HydrophobicContact CD-CD1 4.06Å; V8-I88 PolarHBondContact O-N 2.57Å; V9-I88 CarbonylContact C-O 3.59Å; V9-I88 VanDerWaalsContact CA-O 3.32Å; V9-I88 WeakPolarHBondContact CA-O 3.37Å; V9-I88 HydrophobicContact CB-CB 4.42Å; V9-I88 HydrophobicContact CG1-CB 4.08Å; V9-I88 HydrophobicContact CG1-CG2 4.19Å; V9-I88 HydrophobicContact CG2-CB 4.13Å; V9-I88 HydrophobicContact CG2-CD1 4.08Å; V9-I88 HydrophobicContact CG2-CG1 4.45Å; L10-I88 PolarHBondContact N-O 3.28Å; Y34-I88 HydrophobicContact CE1-CD1 4.13Å; I86-I88 WeakPolarHBondContact CG2-O 3.22Å; I88-I90 HydrophobicContact CG2-CD1 4.31Å; I88-I90 HydrophobicContact CG2-CG1 3.86Å; I88-H138 CarbonylContact C-O 3.59Å; I88-H138 VanDerWaalsContact CA-O 3.26Å; I88-H138 WeakPolarHBondContact CA-O 3.25Å; I88-H138 HydrophobicContact CG1-CB 4.33Å; I88-V140 HydrophobicContact CG2-CG2 4.33Å; I88-I248 HydrophobicContact CD1-CB 4.05Å; I88-I248 HydrophobicContact CD1-CD1 4.17Å; I88-I248 HydrophobicContact CD1-CG2 4.35Å; I88-I248 HydrophobicContact CG2-CG2 4.07Å
89L98.9Very high96.6Very high0 Ų037.5 Ų37.50%020%0.203CC..EExtended strand (participates in β ladder)trans-98.7122.1168.4171.863.3000108.3L10 I86 N91 M123 I124 V127 M131 H138 V140L10-L89 HydrophobicContact CB-CD1 4.36Å; L10-L89 HydrophobicContact CD2-CD1 4.22Å; L10-L89 HydrophobicContact CG-CD1 4.36Å; I86-L89 HydrophobicContact CG2-CB 4.42Å; L89-N91 WeakPolarHBondContact CD2-ND2 3.39Å; L89-M123 HydrophobicContact CD1-CB 4.45Å; L89-M123 HydrophobicContact CD1-CE 3.76Å; L89-M123 HydrophobicContact CD2-CB 4.01Å; L89-I124 HydrophobicContact CD2-CG1 4.16Å; L89-V127 HydrophobicContact CB-CG2 4.34Å; L89-V127 HydrophobicContact CD2-CG1 4.27Å; L89-V127 HydrophobicContact CD2-CG2 3.55Å; L89-M131 HydrophobicContact CB-CE 4.32Å; L89-H138 PolarHBondContact N-O 2.95Å; L89-V140 PolarHBondContact O-N 2.95Å
90I98.9Very high96.6Very high0 Ų033.5 Ų33.50%018%0.182CC..EExtended strand (participates in β ladder)trans-110.699.8173.8-51.5-174.3000108.7V9 L10 I11 T12 I22 L26 I88 N92 V140 T244V9-I90 HydrophobicContact CG1-CD1 3.82Å; V9-I90 HydrophobicContact CG1-CG1 4.09Å; L10-I90 PolarHBondContact O-N 2.9Å; I11-I90 HydrophobicContact CB-CB 4.38Å; I11-I90 HydrophobicContact CD1-CD1 4.24Å; I11-I90 HydrophobicContact CG1-CB 4.11Å; I11-I90 HydrophobicContact CG1-CD1 4.08Å; I11-I90 HydrophobicContact CG1-CG1 4.29Å; I11-I90 HydrophobicContact CG2-CB 4.11Å; I11-I90 HydrophobicContact CG2-CG2 4.21Å; T12-I90 PolarHBondContact N-O 3.39Å; T12-I90 VanDerWaalsContact N-O 3.08Å; T12-I90 PolarHBondContact OG1-O 2.94Å; I22-I90 HydrophobicContact CD1-CG2 4.39Å; I22-I90 HydrophobicContact CG2-CD1 3.72Å; L26-I90 HydrophobicContact CD1-CD1 4.08Å; I88-I90 HydrophobicContact CG2-CD1 4.31Å; I88-I90 HydrophobicContact CG2-CG1 3.86Å; I90-N92 HydrophobicContact CG2-CB 4.37Å; I90-N92 PolarHBondContact O-N 2.9Å; I90-V140 CarbonylContact C-O 3.55Å; I90-V140 WeakPolarHBondContact CA-O 3.45Å; I90-V140 HydrophobicContact CG1-CB 4.2Å; I90-V140 HydrophobicContact CG2-CB 4.44Å; I90-V140 HydrophobicContact CG2-CG1 4.46Å; I90-T244 HydrophobicContact CD1-CG2 4.15Å
91N98.9Very high96.5Very high4 Ų431.9 Ų31.92%0.02118%0.176CC..EExtended strand (participates in β ladder)trans-7996173.5-74.2-58.2000109.6L89 V120 M123 V140 V141 M142L89-N91 WeakPolarHBondContact CD2-ND2 3.39Å; N91-V120 HydrophobicContact CB-CG1 4.12Å; N91-V120 HydrophobicContact CB-CG2 4Å; N91-M123 VanDerWaalsContact OD1-CB 3.22Å; N91-M123 WeakPolarHBondContact OD1-CB 3.37Å; N91-V140 PolarHBondContact N-O 3.44Å; N91-V141 HydrophobicContact CB-CG1 4.49Å; N91-V141 HydrophobicContact CB-CG2 4.36Å; N91-M142 WeakPolarHBondContact O-CB 3.28Å; N91-M142 PolarHBondContact O-N 2.93Å
92N98.6Very high96.4Very high23 Ų2336.5 Ų36.512%0.12320%0.197CC..  trans-116.5-20-178.5160.693.1000113.7T12 G13 I18 G19 I90 G94 M142T12-N92 VanDerWaalsContact O-CB 3.32Å; T12-N92 WeakPolarHBondContact O-CB 3Å; T12-N92 PolarHBondContact O-ND2 3.27Å; T12-N92 PolarHBondContact OG1-N 3.25Å; G13-N92 PolarHBondContact O-ND2 2.83Å; I18-N92 WeakPolarHBondContact CB-OD1 3.2Å; I18-N92 WeakPolarHBondContact CG2-OD1 3.49Å; G19-N92 VanDerWaalsContact CA-ND2 3.29Å; G19-N92 WeakPolarHBondContact CA-ND2 3.16Å; G19-N92 PolarHBondContact N-ND2 2.76Å; G19-N92 PolarHBondContact N-OD1 2.81Å; I90-N92 HydrophobicContact CG2-CB 4.37Å; I90-N92 PolarHBondContact O-N 2.9Å; N92-G94 PolarHBondContact O-N 2.73Å; N92-M142 HydrophobicContact CB-CB 4.24Å
93A97.4Very high96.5Very high19 Ų1932.9 Ų32.916%0.15719%0.186CC..  trans-60133-178.400000109.9T12 V68T12-A93 PolarHBondContact O-N 2.87Å; T12-A93 WeakPolarHBondContact OG1-CB 3.32Å; T12-A93 PolarHBondContact OG1-N 3.44Å; V68-A93 HydrophobicContact CG1-CB 4.09Å; V68-A93 HydrophobicContact CG2-CB 4.1Å
94G95.6Very high96.5Very high36 Ų3627.7 Ų27.737%0.37116%0.158SC..  trans-170.6162.6-178.800000111.9N92 N116N92-G94 PolarHBondContact O-N 2.73Å; G94-N116 WeakPolarHBondContact CA-OD1 3.38Å
95V94.8Very high96.5Very high41 Ų4126.2 Ų26.225%0.24816%0.161CC..  trans-132.5138.6174.8-660000109.3V112 T115 N116 Y157V95-V112 HydrophobicContact CG2-CB 4.47Å; V95-V112 HydrophobicContact CG2-CG2 4.18Å; V95-T115 HydrophobicContact CG1-CG2 4.35Å; V95-T115 HydrophobicContact CG2-CG2 4.39Å; V95-N116 PolarHBondContact N-OD1 2.99Å; V95-N116 PolarHBondContact O-ND2 3.22Å; V95-N116 PolarHBondContact O-OD1 3.25Å; V95-Y157 WeakPolarHBondContact O-CD2 3.49Å
96G92.8Very high96.5Very high18 Ų1828.3 Ų28.319%0.18617%0.173CC..  trans-80160.9165.600000111.7
97L93.1Very high96.5Very high28 Ų2833 Ų3315%0.14720%0.198CC..  trans-153.6125.5170.8176.462.5000107.5I104 V112 V156L97-I104 HydrophobicContact CD1-CD1 4.34Å; L97-I104 HydrophobicContact CD2-CD1 4.17Å; L97-I104 HydrophobicContact CD2-CG2 3.71Å; L97-I104 HydrophobicContact CG-CD1 4.04Å; L97-V112 HydrophobicContact CB-CG2 3.6Å; L97-V112 HydrophobicContact CD2-CG2 3.56Å; L97-V112 HydrophobicContact CG-CG2 4.2Å; L97-V156 HydrophobicContact CD2-CB 3.97Å; L97-V156 HydrophobicContact CD2-CG1 3.98Å; L97-V156 HydrophobicContact CD2-CG2 4.29Å
98L94.4Very high96.4Very high8 Ų835.7 Ų35.74%0.04221%0.21CC..  trans-137.1132.5-171.1179.273.6000109.5F153 N154 M198 M199 V202 F218 Y222 L223L98-F153 WeakPolarHBondContact CA-O 3.38Å; L98-F153 HydrophobicContact CD1-CB 4.18Å; L98-F153 WeakPolarHBondContact CD1-O 3.32Å; L98-N154 VanDerWaalsContact CD1-ND2 3.26Å; L98-N154 WeakPolarHBondContact CD1-ND2 3.36Å; L98-N154 WeakPolarHBondContact CD1-OD1 3.2Å; L98-M198 HydrophobicContact CB-CE 4.34Å; L98-M198 HydrophobicContact CB-SD 4.48Å; L98-M199 HydrophobicContact CD2-CE 3.88Å; L98-M199 HydrophobicContact CD2-SD 3.62Å; L98-V202 HydrophobicContact CD2-CG1 4.32Å; L98-F218 HydrophobicContact CD1-CE2 4.23Å; L98-F218 HydrophobicContact CD2-CE2 4.28Å; L98-F218 HydrophobicContact CD2-CZ 4.14Å; L98-F218 HydrophobicContact CG-CE2 3.93Å; L98-F218 HydrophobicContact CG-CZ 4.01Å; L98-Y222 HydrophobicContact CD1-CD1 4.36Å; L98-Y222 HydrophobicContact CD1-CE1 3.39Å; L98-Y222 HydrophobicContact CD2-CE1 4.12Å; L98-Y222 HydrophobicContact CG-CE1 4.25Å; L98-L223 HydrophobicContact CD2-CD2 3.79Å
99G95.5Very high96.4Very high0 Ų037.5 Ų37.50%022%0.219CC..SBendtrans152.8176.6173.900000113.3V101 F153G99-V101 PolarHBondContact O-N 2.88Å; G99-F153 PolarHBondContact N-O 3.22Å
100P96.9Very high96.3Very high1 Ų143.4 Ų43.41%0.00624%0.244CC..  trans-57128.2170.9-23.835.2000111.5E102 S103 F153 F207 V210 T214 F218P100-E102 VanDerWaalsContact C-N 3.29Å; P100-E102 PolarHBondContact O-N 2.94Å; P100-S103 WeakPolarHBondContact O-CB 3.41Å; P100-S103 PolarHBondContact O-N 2.71Å; P100-S103 PolarHBondContact O-OG 3.27Å; P100-F153 HydrophobicContact CG-CE1 4.45Å; P100-F207 HydrophobicContact CG-CD1 4.2Å; P100-F207 HydrophobicContact CG-CE1 4.46Å; P100-F207 HydrophobicContact CG-CG 4.33Å; P100-V210 HydrophobicContact CB-CG1 3.95Å; P100-V210 HydrophobicContact CB-CG2 4.11Å; P100-V210 HydrophobicContact CG-CG1 4.16Å; P100-T214 HydrophobicContact CB-CG2 3.87Å; P100-T214 HydrophobicContact CG-CG2 4.1Å; P100-F218 HydrophobicContact CG-CB 4.33Å; P100-F218 HydrophobicContact CG-CD1 4.43Å; P100-F218 HydrophobicContact CG-CG 4.31Å
101V96.2Very high96.3Very high67 Ų6752 Ų5241%0.40628%0.277SS..G310 helixtrans-62.3-36-170670000112.9G99 S103 I104 M109 D155G99-V101 PolarHBondContact O-N 2.88Å; V101-S103 PolarHBondContact O-N 2.88Å; V101-I104 PolarHBondContact O-N 3.04Å; V101-M109 HydrophobicContact CG2-CE 4.23Å; V101-D155 HydrophobicContact CG2-CB 4.37Å
102E95.4Very high96.3Very high103 Ų10352.2 Ų52.248%0.48128%0.278SS..G310 helixtrans-71-14.9178.667.1-88.5-146.600113.3P100 V210P100-E102 VanDerWaalsContact C-N 3.29Å; P100-E102 PolarHBondContact O-N 2.94Å; E102-V210 HydrophobicContact CG-CG2 4.08Å
103S94.8Very high96.3Very high39 Ų3953.8 Ų53.827%0.27328%0.284SS..G310 helixtrans-88.6-16.117473.90000113.9P100 V101 F207P100-S103 WeakPolarHBondContact O-CB 3.41Å; P100-S103 PolarHBondContact O-N 2.71Å; P100-S103 PolarHBondContact O-OG 3.27Å; V101-S103 PolarHBondContact O-N 2.88Å; S103-F207 WeakPolarHBondContact OG-CD1 3.29Å
104I94.6Very high96.3Very high20 Ų2055 Ų5510%0.10329%0.288CS..SBendtrans-86.9128.2-173.9-65.3171.1000108.7L97 V101 E108 M109L97-I104 HydrophobicContact CD1-CD1 4.34Å; L97-I104 HydrophobicContact CD2-CD1 4.17Å; L97-I104 HydrophobicContact CD2-CG2 3.71Å; L97-I104 HydrophobicContact CG-CD1 4.04Å; V101-I104 PolarHBondContact O-N 3.04Å; I104-E108 HydrophobicContact CG2-CB 4.15Å; I104-M109 HydrophobicContact CB-CE 3.87Å; I104-M109 HydrophobicContact CG2-CE 3.74Å; I104-M109 HydrophobicContact CG2-CG 3.6Å; I104-M109 WeakPolarHBondContact O-CE 3.49Å
105S96.2Very high96.5Very high51 Ų5154 Ų5436%0.35727%0.274SS..  trans-73.1148.2176.770.60000111.8D107 E108 M109S105-D107 PolarHBondContact O-N 2.99Å; S105-D107 VanDerWaalsContact O-N 3.14Å; S105-E108 WeakPolarHBondContact CB-OE2 3.47Å; S105-E108 PolarHBondContact N-OE2 3.04Å; S105-E108 WeakPolarHBondContact O-CB 3.32Å; S105-E108 PolarHBondContact O-N 2.98Å; S105-E108 VanDerWaalsContact OG-CG 3.27Å; S105-E108 WeakPolarHBondContact OG-CG 3.49Å; S105-E108 PolarHBondContact OG-N 3.45Å; S105-E108 PolarHBondContact OG-OE2 3.32Å; S105-M109 WeakPolarHBondContact O-CG 3.1Å; S105-M109 PolarHBondContact O-N 3.21Å
106I97.8Very high96.6Very high105 Ų10552.1 Ų52.154%0.53826%0.263SS..Hα-helixtrans-55.8-32.9174.6-64.7-60.6000112M109 K110I106-M109 HydrophobicContact CD1-CE 4.47Å; I106-M109 HydrophobicContact CD1-SD 3.93Å; I106-M109 WeakPolarHBondContact O-CB 3.39Å; I106-M109 PolarHBondContact O-N 2.72Å; I106-K110 HydrophobicContact CG2-CD 4.2Å; I106-K110 HydrophobicContact CG2-CG 4.41Å; I106-K110 WeakPolarHBondContact O-CG 3.4Å; I106-K110 PolarHBondContact O-N 3.5Å
107D98.3Very high96.9Very high101 Ų10153 Ų5354%0.5426%0.262SS..Hα-helixtrans-70.8-36.1178.8-71.5-20000112.4S105 K110 R111S105-D107 PolarHBondContact O-N 2.99Å; S105-D107 VanDerWaalsContact O-N 3.14Å; D107-K110 PolarHBondContact O-N 3.37Å; D107-K110 IonicContact OD1-NZ 3.54Å; D107-R111 VanDerWaalsContact O-CG 3.27Å; D107-R111 WeakPolarHBondContact O-CG 3.45Å; D107-R111 PolarHBondContact O-N 3.46Å
108E96.6Very high97.2Very high83 Ų8356.5 Ų56.539%0.38828%0.276SS..Hα-helixtrans-64.1-42.5169.2-72.4165.8117.400111.1I104 S105 K110 R111 V112I104-E108 HydrophobicContact CG2-CB 4.15Å; S105-E108 WeakPolarHBondContact CB-OE2 3.47Å; S105-E108 PolarHBondContact N-OE2 3.04Å; S105-E108 WeakPolarHBondContact O-CB 3.32Å; S105-E108 PolarHBondContact O-N 2.98Å; S105-E108 VanDerWaalsContact OG-CG 3.27Å; S105-E108 WeakPolarHBondContact OG-CG 3.49Å; S105-E108 PolarHBondContact OG-N 3.45Å; S105-E108 PolarHBondContact OG-OE2 3.32Å; E108-K110 VanDerWaalsContact C-N 3.34Å; E108-K110 PolarHBondContact O-N 2.94Å; E108-R111 WeakPolarHBondContact O-CB 3.41Å; E108-R111 PolarHBondContact O-N 3.17Å; E108-R111 VanDerWaalsContact O-N 3.16Å; E108-V112 WeakPolarHBondContact O-CG2 3.39Å; E108-V112 PolarHBondContact O-N 2.91Å
109M98.1Very high97.4Very high41 Ų4156.2 Ų56.220%0.20228%0.275CS..Hα-helixtrans-59.6-45.6176.2-56.6-173.7-173.700111.9V101 I104 S105 I106 R111 V112 F113 V156V101-M109 HydrophobicContact CG2-CE 4.23Å; I104-M109 HydrophobicContact CB-CE 3.87Å; I104-M109 HydrophobicContact CG2-CE 3.74Å; I104-M109 HydrophobicContact CG2-CG 3.6Å; I104-M109 WeakPolarHBondContact O-CE 3.49Å; S105-M109 WeakPolarHBondContact O-CG 3.1Å; S105-M109 PolarHBondContact O-N 3.21Å; I106-M109 HydrophobicContact CD1-CE 4.47Å; I106-M109 HydrophobicContact CD1-SD 3.93Å; I106-M109 WeakPolarHBondContact O-CB 3.39Å; I106-M109 PolarHBondContact O-N 2.72Å; M109-R111 VanDerWaalsContact C-N 3.33Å; M109-R111 PolarHBondContact O-N 2.94Å; M109-V112 PolarHBondContact O-N 3.27Å; M109-F113 PolarHBondContact O-N 2.83Å; M109-F113 VanDerWaalsContact O-N 3.1Å; M109-V156 HydrophobicContact CB-CG1 3.91Å; M109-V156 HydrophobicContact CB-CG2 4.42Å; M109-V156 HydrophobicContact CE-CG2 4.19Å; M109-V156 HydrophobicContact CG-CG1 4.1Å; M109-V156 HydrophobicContact CG-CG2 3.73Å; M109-V156 HydrophobicContact SD-CG2 3.95Å
110K98.5Very high97.6Very high124 Ų12456.5 Ų56.554%0.53928%0.276SS..Hα-helixtrans-60.7-40.9175.6-74.8170.5-176.5164.60111.7I106 D107 E108 V112 F113 D114I106-K110 HydrophobicContact CG2-CD 4.2Å; I106-K110 HydrophobicContact CG2-CG 4.41Å; I106-K110 WeakPolarHBondContact O-CG 3.4Å; I106-K110 PolarHBondContact O-N 3.5Å; D107-K110 PolarHBondContact O-N 3.37Å; D107-K110 IonicContact OD1-NZ 3.54Å; E108-K110 VanDerWaalsContact C-N 3.34Å; E108-K110 PolarHBondContact O-N 2.94Å; K110-V112 VanDerWaalsContact C-N 3.34Å; K110-V112 PolarHBondContact O-N 3.42Å; K110-F113 PolarHBondContact O-N 3.05Å; K110-D114 VanDerWaalsContact O-CB 3.26Å; K110-D114 WeakPolarHBondContact O-CB 3.42Å; K110-D114 PolarHBondContact O-N 3.23Å
111R98.1Very high97.7Very high181 Ų18157.5 Ų57.568%0.68328%0.282SS*.Hα-helixtrans-62.8-39.3177.9-74.8172-177.1-155.32.2112.5D107 E108 M109 D114 T115D107-R111 VanDerWaalsContact O-CG 3.27Å; D107-R111 WeakPolarHBondContact O-CG 3.45Å; D107-R111 PolarHBondContact O-N 3.46Å; E108-R111 WeakPolarHBondContact O-CB 3.41Å; E108-R111 PolarHBondContact O-N 3.17Å; E108-R111 VanDerWaalsContact O-N 3.16Å; M109-R111 VanDerWaalsContact C-N 3.33Å; M109-R111 PolarHBondContact O-N 2.94Å; R111-D114 PolarHBondContact O-N 3.35Å; R111-T115 PolarHBondContact O-N 3.34Å; R111-T115 PolarHBondContact O-OG1 3Å; R111-T115 VanDerWaalsContact O-OG1 3.09Å
112V98.3Very high97.8Very high7 Ų756.7 Ų56.74%0.04227%0.272CS..Hα-helixtrans-62.2-48.8174.4174.50000110.4V95 L97 E108 M109 K110 D114 T115 N116 V156V95-V112 HydrophobicContact CG2-CB 4.47Å; V95-V112 HydrophobicContact CG2-CG2 4.18Å; L97-V112 HydrophobicContact CB-CG2 3.6Å; L97-V112 HydrophobicContact CD2-CG2 3.56Å; L97-V112 HydrophobicContact CG-CG2 4.2Å; E108-V112 WeakPolarHBondContact O-CG2 3.39Å; E108-V112 PolarHBondContact O-N 2.91Å; M109-V112 PolarHBondContact O-N 3.27Å; K110-V112 VanDerWaalsContact C-N 3.34Å; K110-V112 PolarHBondContact O-N 3.42Å; V112-D114 PolarHBondContact O-N 3.31Å; V112-T115 PolarHBondContact O-N 3.41Å; V112-N116 WeakPolarHBondContact O-CB 3.44Å; V112-N116 PolarHBondContact O-N 3.43Å; V112-V156 HydrophobicContact CB-CG1 4.14Å; V112-V156 HydrophobicContact CG1-CG1 4.18Å
113F98.8Very high97.9Very high57 Ų5751.8 Ų51.825%0.2525%0.249CC..Hα-helixtrans-63.6-39.4176-92.6-97.7000112.8M109 K110 T115 F117 F118 V156 A159 A163M109-F113 PolarHBondContact O-N 2.83Å; M109-F113 VanDerWaalsContact O-N 3.1Å; K110-F113 PolarHBondContact O-N 3.05Å; F113-T115 VanDerWaalsContact C-N 3.32Å; F113-T115 PolarHBondContact O-N 3.42Å; F113-F117 HydrophobicContact CD1-CB 4.15Å; F113-F117 CarbonylContact O-C 3.59Å; F113-F117 WeakPolarHBondContact O-CA 3.43Å; F113-F117 VanDerWaalsContact O-CB 3.32Å; F113-F117 WeakPolarHBondContact O-CB 3.48Å; F113-F117 PolarHBondContact O-N 2.91Å; F113-F118 PolarHBondContact O-N 2.66Å; F113-V156 HydrophobicContact CD2-CG1 4.37Å; F113-V156 HydrophobicContact CE2-CG1 4.28Å; F113-A159 HydrophobicContact CE2-CB 4.17Å; F113-A159 HydrophobicContact CZ-CB 3.92Å; F113-A163 HydrophobicContact CE1-CB 4.07Å
114D98.7Very high98.1Very high45 Ų4550 Ų5024%0.24124%0.237CC..Iπ-helixtrans-64.4-38.6-179-169.444.5000111.8C69 K110 R111 V112 F118 G119 R122C69-D114 VanDerWaalsContact CB-OD2 3.26Å; C69-D114 WeakPolarHBondContact CB-OD2 3.41Å; C69-D114 PolarHBondContact SG-OD2 3.15Å; K110-D114 VanDerWaalsContact O-CB 3.26Å; K110-D114 WeakPolarHBondContact O-CB 3.42Å; K110-D114 PolarHBondContact O-N 3.23Å; R111-D114 PolarHBondContact O-N 3.35Å; V112-D114 PolarHBondContact O-N 3.31Å; D114-F118 CarbonylContact O-C 3.35Å; D114-G119 PolarHBondContact O-N 3.16Å; D114-R122 PolarHBondContact O-NH1 3.36Å; D114-R122 IonicContact OD1-CZ 2.66Å; D114-R122 VanDerWaalsContact OD1-CZ 3.29Å; D114-R122 IonicContact OD1-NH1 2.67Å; D114-R122 PolarHBondContact OD1-NH1 2.98Å; D114-R122 IonicContact OD1-NH2 3.42Å; D114-R122 PolarHBondContact OD1-NH2 3.27Å
115T98.3Very high98.3Very high15 Ų1556 Ų569%0.09226%0.262CS..Iπ-helixtrans-77.3-57.2174.7-51.50000111.6V68 V95 R111 V112 F113V68-T115 HydrophobicContact CG2-CG2 4.1Å; V95-T115 HydrophobicContact CG1-CG2 4.35Å; V95-T115 HydrophobicContact CG2-CG2 4.39Å; R111-T115 PolarHBondContact O-N 3.34Å; R111-T115 PolarHBondContact O-OG1 3Å; R111-T115 VanDerWaalsContact O-OG1 3.09Å; V112-T115 PolarHBondContact O-N 3.41Å; F113-T115 VanDerWaalsContact C-N 3.32Å; F113-T115 PolarHBondContact O-N 3.42Å
116N98.5Very high98.4Very high0 Ų055.5 Ų55.50%025%0.254CS..Iπ-helixtrans-73.6-38.3-167.9-67.1-1.2000112.1G94 V95 V112 V120 S160 M164G94-N116 WeakPolarHBondContact CA-OD1 3.38Å; V95-N116 PolarHBondContact N-OD1 2.99Å; V95-N116 PolarHBondContact O-ND2 3.22Å; V95-N116 PolarHBondContact O-OD1 3.25Å; V112-N116 WeakPolarHBondContact O-CB 3.44Å; V112-N116 PolarHBondContact O-N 3.43Å; N116-V120 VanDerWaalsContact O-CG2 3.26Å; N116-V120 WeakPolarHBondContact O-CG2 3.15Å; N116-S160 PolarHBondContact ND2-OG 3.4Å; N116-M164 WeakPolarHBondContact O-CE 3.25Å
117F98.8Very high98.5Very high38 Ų3850.8 Ų50.817%0.16723%0.23CC..Iπ-helixtrans-103.1-62.8-176.4177.7-103.1000111.4F113 G119 V120 V121 A163 F167F113-F117 HydrophobicContact CD1-CB 4.15Å; F113-F117 CarbonylContact O-C 3.59Å; F113-F117 WeakPolarHBondContact O-CA 3.43Å; F113-F117 VanDerWaalsContact O-CB 3.32Å; F113-F117 WeakPolarHBondContact O-CB 3.48Å; F113-F117 PolarHBondContact O-N 2.91Å; F117-G119 VanDerWaalsContact C-N 3.29Å; F117-G119 PolarHBondContact O-N 3.14Å; F117-V120 WeakPolarHBondContact O-CB 3.17Å; F117-V120 PolarHBondContact O-N 3.43Å; F117-V120 VanDerWaalsContact O-N 3.14Å; F117-V121 HydrophobicContact CD1-CG2 4.42Å; F117-V121 HydrophobicContact CE1-CG2 4.07Å; F117-V121 HydrophobicContact CE2-CG2 4.28Å; F117-V121 HydrophobicContact CZ-CG2 3.99Å; F117-V121 WeakPolarHBondContact O-CG2 3.47Å; F117-V121 PolarHBondContact O-N 3.46Å; F117-A163 HydrophobicContact CD2-CB 3.81Å; F117-A163 HydrophobicContact CE2-CB 4.07Å; F117-A163 HydrophobicContact CG-CB 4.38Å; F117-F167 HydrophobicContact CE2-CB 3.71Å; F117-F167 HydrophobicContact CE2-CD2 4.4Å; F117-F167 HydrophobicContact CE2-CG 4.04Å; F117-F167 HydrophobicContact CZ-CB 4.32Å; F117-F167 HydrophobicContact CZ-CD2 4.28Å; F117-F167 HydrophobicContact CZ-CG 4.38Å
118F98.8Very high98.5Very high100 Ų10047.2 Ų47.244%0.43921%0.21SC..Iπ-helixtrans-66.7-31.8-174.6-67.2-70.8000112.5F113 D114 V120 V121 R122F113-F118 PolarHBondContact O-N 2.66Å; D114-F118 CarbonylContact O-C 3.35Å; F118-V120 VanDerWaalsContact C-N 3.35Å; F118-V120 PolarHBondContact O-N 3.36Å; F118-V121 WeakPolarHBondContact O-CB 3.39Å; F118-V121 PolarHBondContact O-N 3.38Å; F118-R122 VanDerWaalsContact CB-NH1 3.32Å; F118-R122 WeakPolarHBondContact O-CG 3.35Å; F118-R122 PolarHBondContact O-N 2.97Å
119G98.8Very high98.5Very high2 Ų247.2 Ų47.22%0.02122%0.217CC..Hα-helixtrans-59.5-43.4172.600000113.1V68 D114 F117 R122 M123V68-G119 VanDerWaalsContact O-CA 3.28Å; V68-G119 WeakPolarHBondContact O-CA 3.41Å; D114-G119 PolarHBondContact O-N 3.16Å; F117-G119 VanDerWaalsContact C-N 3.29Å; F117-G119 PolarHBondContact O-N 3.14Å; G119-R122 PolarHBondContact O-N 2.74Å; G119-M123 WeakPolarHBondContact O-CG 3.32Å; G119-M123 PolarHBondContact O-N 3.07Å; G119-M123 VanDerWaalsContact O-N 3.1Å
120V98.8Very high98.6Very high6 Ų647.2 Ų47.24%0.03622%0.218CC..Hα-helixtrans-63.7-44.3173.7175.70000110.8N91 N116 F117 F118 R122 M123 I124 V141 M164N91-V120 HydrophobicContact CB-CG1 4.12Å; N91-V120 HydrophobicContact CB-CG2 4Å; N116-V120 VanDerWaalsContact O-CG2 3.26Å; N116-V120 WeakPolarHBondContact O-CG2 3.15Å; F117-V120 WeakPolarHBondContact O-CB 3.17Å; F117-V120 PolarHBondContact O-N 3.43Å; F117-V120 VanDerWaalsContact O-N 3.14Å; F118-V120 VanDerWaalsContact C-N 3.35Å; F118-V120 PolarHBondContact O-N 3.36Å; V120-R122 PolarHBondContact O-N 2.82Å; V120-M123 PolarHBondContact O-N 3.37Å; V120-I124 HydrophobicContact CG1-CD1 3.56Å; V120-I124 HydrophobicContact CG1-CG1 4.38Å; V120-I124 WeakPolarHBondContact O-CB 3.3Å; V120-I124 VanDerWaalsContact O-CG1 3.25Å; V120-I124 WeakPolarHBondContact O-CG1 2.82Å; V120-I124 PolarHBondContact O-N 3.41Å; V120-V141 HydrophobicContact CG1-CG1 4.2Å; V120-V141 HydrophobicContact CG1-CG2 4.36Å; V120-M164 HydrophobicContact CG2-CE 3.91Å
121V98.8Very high98.6Very high22 Ų2241.4 Ų41.413%0.13319%0.193CC..Hα-helixtrans-59.6-46177.1174.60000111.3F117 F118 I124 K125 F167F117-V121 HydrophobicContact CD1-CG2 4.42Å; F117-V121 HydrophobicContact CE1-CG2 4.07Å; F117-V121 HydrophobicContact CE2-CG2 4.28Å; F117-V121 HydrophobicContact CZ-CG2 3.99Å; F117-V121 WeakPolarHBondContact O-CG2 3.47Å; F117-V121 PolarHBondContact O-N 3.46Å; F118-V121 WeakPolarHBondContact O-CB 3.39Å; F118-V121 PolarHBondContact O-N 3.38Å; V121-I124 PolarHBondContact O-N 3.06Å; V121-K125 HydrophobicContact CG1-CD 3.83Å; V121-K125 HydrophobicContact CG1-CG 4.28Å; V121-K125 WeakPolarHBondContact O-CB 3.28Å; V121-K125 VanDerWaalsContact O-CG 3.25Å; V121-K125 WeakPolarHBondContact O-CG 3.31Å; V121-K125 PolarHBondContact O-N 2.76Å; V121-F167 HydrophobicContact CB-CZ 4.49Å; V121-F167 HydrophobicContact CG1-CZ 4.36Å; V121-F167 HydrophobicContact CG2-CD1 4.35Å; V121-F167 HydrophobicContact CG2-CD2 4.4Å; V121-F167 HydrophobicContact CG2-CE1 3.98Å; V121-F167 HydrophobicContact CG2-CE2 4.03Å; V121-F167 HydrophobicContact CG2-CZ 3.81Å
122R98.9Very high98.6Very high51 Ų5135.3 Ų35.319%0.19217%0.172CC..Hα-helixtrans-60.9-49.2179.1-73.8175-174.9105.8-0.4111.8V68 D71 V74 D114 F118 G119 V120 I124 K125 E126V68-R122 VanDerWaalsContact O-CD 3.3Å; V68-R122 WeakPolarHBondContact O-CD 3.43Å; V68-R122 PolarHBondContact O-NH1 2.83Å; D71-R122 WeakPolarHBondContact OD1-CD 3.28Å; D71-R122 VanDerWaalsContact OD1-CG 3.28Å; D71-R122 WeakPolarHBondContact OD1-CG 2.98Å; D71-R122 IonicContact OD1-NE 3.6Å; D71-R122 PolarHBondContact OD1-NE 2.81Å; V74-R122 HydrophobicContact CG2-CB 4.19Å; D114-R122 PolarHBondContact O-NH1 3.36Å; D114-R122 IonicContact OD1-CZ 2.66Å; D114-R122 VanDerWaalsContact OD1-CZ 3.29Å; D114-R122 IonicContact OD1-NH1 2.67Å; D114-R122 PolarHBondContact OD1-NH1 2.98Å; D114-R122 IonicContact OD1-NH2 3.42Å; D114-R122 PolarHBondContact OD1-NH2 3.27Å; F118-R122 VanDerWaalsContact CB-NH1 3.32Å; F118-R122 WeakPolarHBondContact O-CG 3.35Å; F118-R122 PolarHBondContact O-N 2.97Å; G119-R122 PolarHBondContact O-N 2.74Å; V120-R122 PolarHBondContact O-N 2.82Å; R122-I124 VanDerWaalsContact C-N 3.34Å; R122-I124 PolarHBondContact O-N 2.85Å; R122-K125 PolarHBondContact O-N 3.45Å; R122-E126 WeakPolarHBondContact O-CB 3.47Å; R122-E126 PolarHBondContact O-N 3.49Å
123M98.9Very high98.6Very high0 Ų043.7 Ų43.70%021%0.207CC..Hα-helixtrans-59.7-45.7177.9-73-55.3-55.200112.1L10 T12 L66 V68 V74 V78 L89 N91 G119 V120 E126 V127L10-M123 HydrophobicContact CD2-CE 3.49Å; L10-M123 VanDerWaalsContact CD2-CE 3.49Å; L10-M123 HydrophobicContact CG-CE 4.42Å; T12-M123 HydrophobicContact CG2-CE 4.21Å; T12-M123 HydrophobicContact CG2-CG 4.02Å; T12-M123 HydrophobicContact CG2-SD 4.32Å; L66-M123 HydrophobicContact CD1-SD 4.04Å; L66-M123 HydrophobicContact CD2-CE 4.12Å; L66-M123 HydrophobicContact CD2-SD 3.73Å; L66-M123 HydrophobicContact CG-SD 4.46Å; V68-M123 HydrophobicContact CG1-CG 4.16Å; V74-M123 HydrophobicContact CB-SD 4.25Å; V74-M123 HydrophobicContact CG1-SD 3.7Å; V74-M123 HydrophobicContact CG2-SD 3.79Å; V78-M123 HydrophobicContact CG2-CE 4.49Å; L89-M123 HydrophobicContact CD1-CB 4.45Å; L89-M123 HydrophobicContact CD1-CE 3.76Å; L89-M123 HydrophobicContact CD2-CB 4.01Å; N91-M123 VanDerWaalsContact OD1-CB 3.22Å; N91-M123 WeakPolarHBondContact OD1-CB 3.37Å; G119-M123 WeakPolarHBondContact O-CG 3.32Å; G119-M123 PolarHBondContact O-N 3.07Å; G119-M123 VanDerWaalsContact O-N 3.1Å; V120-M123 PolarHBondContact O-N 3.37Å; M123-E126 PolarHBondContact O-N 3.16Å; M123-V127 PolarHBondContact O-N 3.19Å; M123-V127 VanDerWaalsContact O-N 3.16Å
124I98.8Very high98.5Very high1 Ų144.1 Ų44.11%0.00521%0.208CC..Hα-helixtrans-62.5-45.7177.8-73171.5000110.7L89 V120 V121 R122 E126 V127 M128 I139 F167 M171L89-I124 HydrophobicContact CD2-CG1 4.16Å; V120-I124 HydrophobicContact CG1-CD1 3.56Å; V120-I124 HydrophobicContact CG1-CG1 4.38Å; V120-I124 WeakPolarHBondContact O-CB 3.3Å; V120-I124 VanDerWaalsContact O-CG1 3.25Å; V120-I124 WeakPolarHBondContact O-CG1 2.82Å; V120-I124 PolarHBondContact O-N 3.41Å; V121-I124 PolarHBondContact O-N 3.06Å; R122-I124 VanDerWaalsContact C-N 3.34Å; R122-I124 PolarHBondContact O-N 2.85Å; I124-E126 VanDerWaalsContact C-N 3.26Å; I124-E126 PolarHBondContact O-N 3.32Å; I124-V127 PolarHBondContact O-N 3.48Å; I124-M128 HydrophobicContact CG2-CE 3.19Å; I124-M128 WeakPolarHBondContact O-CB 3.32Å; I124-M128 PolarHBondContact O-N 2.88Å; I124-I139 HydrophobicContact CD1-CG2 4.05Å; I124-I139 HydrophobicContact CG1-CD1 4.41Å; I124-I139 HydrophobicContact CG1-CG2 4Å; I124-I139 HydrophobicContact CG2-CD1 4.3Å; I124-F167 HydrophobicContact CD1-CE1 4.12Å; I124-M171 HydrophobicContact CD1-CE 3.85Å; I124-M171 HydrophobicContact CG2-CE 3.86Å; I124-M171 HydrophobicContact CG2-SD 3.64Å
125K98.5Very high98.5Very high147 Ų14748.3 Ų48.364%0.63922%0.22SC*.Hα-helixtrans-58.9-37.9177-76.8177.367.1167.10112.4V121 R122 P129V121-K125 HydrophobicContact CG1-CD 3.83Å; V121-K125 HydrophobicContact CG1-CG 4.28Å; V121-K125 WeakPolarHBondContact O-CB 3.28Å; V121-K125 VanDerWaalsContact O-CG 3.25Å; V121-K125 WeakPolarHBondContact O-CG 3.31Å; V121-K125 PolarHBondContact O-N 2.76Å; R122-K125 PolarHBondContact O-N 3.45Å; K125-P129 WeakPolarHBondContact O-CD 3.27Å
126E98.8Very high98.5Very high40 Ų4050 Ų5019%0.18723%0.232CC..Hα-helixtrans-73.6-37-176.9-173.462.7-16400113V74 V78 R84 R122 M123 I124V74-E126 HydrophobicContact CG1-CB 3.63Å; V74-E126 HydrophobicContact CG1-CG 3.84Å; V78-E126 HydrophobicContact CB-CG 3.72Å; V78-E126 HydrophobicContact CG1-CG 4.03Å; V78-E126 HydrophobicContact CG2-CB 4.41Å; V78-E126 HydrophobicContact CG2-CG 3.55Å; R84-E126 IonicContact CZ-OE1 3.34Å; R84-E126 IonicContact NH1-OE1 3.7Å; R84-E126 PolarHBondContact NH1-OE1 3.02Å; R84-E126 PolarHBondContact NH2-O 3.17Å; R84-E126 IonicContact NH2-OE1 3.75Å; R84-E126 PolarHBondContact NH2-OE1 3.32Å; R122-E126 WeakPolarHBondContact O-CB 3.47Å; R122-E126 PolarHBondContact O-N 3.49Å; M123-E126 PolarHBondContact O-N 3.16Å; I124-E126 VanDerWaalsContact C-N 3.26Å; I124-E126 PolarHBondContact O-N 3.32Å
127V98.6Very high98.5Very high5 Ų550.3 Ų50.33%0.0324%0.235CC..Hα-helixtrans-90.8-25.8-177.8-52.10000113.9V78 I86 L89 M123 I124 P129 D130 M131V78-V127 HydrophobicContact CG2-CG1 4.25Å; I86-V127 HydrophobicContact CD1-CB 4.45Å; I86-V127 HydrophobicContact CD1-CG1 3.55Å; L89-V127 HydrophobicContact CB-CG2 4.34Å; L89-V127 HydrophobicContact CD2-CG1 4.27Å; L89-V127 HydrophobicContact CD2-CG2 3.55Å; M123-V127 PolarHBondContact O-N 3.19Å; M123-V127 VanDerWaalsContact O-N 3.16Å; I124-V127 PolarHBondContact O-N 3.48Å; V127-P129 VanDerWaalsContact C-CD 3.5Å; V127-D130 PolarHBondContact O-N 2.92Å; V127-M131 HydrophobicContact CG2-CE 4.07Å; V127-M131 HydrophobicContact CG2-SD 4.15Å; V127-M131 PolarHBondContact O-N 2.92Å
128M98Very high98.5Very high26 Ų2648.9 Ų48.913%0.12823%0.229CC..Hα-helixtrans-60.9-38.3-171.7-176.2-173.6-41.600114.7I124 D130 M131 K132 M171I124-M128 HydrophobicContact CG2-CE 3.19Å; I124-M128 WeakPolarHBondContact O-CB 3.32Å; I124-M128 PolarHBondContact O-N 2.88Å; M128-D130 VanDerWaalsContact C-N 3.33Å; M128-D130 PolarHBondContact O-N 2.81Å; M128-M131 PolarHBondContact O-N 3.41Å; M128-K132 HydrophobicContact CG-CD 3.92Å; M128-K132 HydrophobicContact CG-CG 3.98Å; M128-K132 WeakPolarHBondContact O-CB 3.21Å; M128-K132 WeakPolarHBondContact O-CG 3.27Å; M128-K132 PolarHBondContact O-N 3.32Å; M128-K132 HydrophobicContact SD-CD 4.23Å; M128-K132 VanDerWaalsContact SD-CE 3.59Å; M128-M171 HydrophobicContact CE-SD 3.51Å; M128-M171 VanDerWaalsContact CE-SD 3.51Å
129P98Very high98.5Very high83 Ų8344.1 Ų44.154%0.53921%0.208SC..Hα-helixtrans-57.5-43.4179.2-27.736.2000113.2K125 V127 K132 K133K125-P129 WeakPolarHBondContact O-CD 3.27Å; V127-P129 VanDerWaalsContact C-CD 3.5Å; P129-K132 PolarHBondContact O-N 2.81Å; P129-K133 WeakPolarHBondContact O-CB 3.36Å; P129-K133 PolarHBondContact O-N 3.26Å
130D98.4Very high98.5Very high42 Ų4244 Ų4423%0.22521%0.207CC..Hα-helixtrans-67-48.6176.6179.463.7000111.2H85 V127 M128 K132 K133 R134H85-D130 IonicContact ND1-OD2 2.66Å; V127-D130 PolarHBondContact O-N 2.92Å; M128-D130 VanDerWaalsContact C-N 3.33Å; M128-D130 PolarHBondContact O-N 2.81Å; D130-K132 VanDerWaalsContact C-N 3.26Å; D130-K132 PolarHBondContact O-N 3.43Å; D130-K133 WeakPolarHBondContact O-CB 2.85Å; D130-K133 PolarHBondContact O-N 2.96Å; D130-K133 VanDerWaalsContact O-N 3.1Å; D130-R134 VanDerWaalsContact O-CG 3.29Å; D130-R134 WeakPolarHBondContact O-CG 3.23Å; D130-R134 PolarHBondContact O-N 3.17Å; D130-R134 WeakPolarHBondContact OD2-CD 3.26Å; D130-R134 IonicContact OD2-NE 3.51Å
131M98.6Very high98.5Very high1 Ų143.8 Ų43.81%0.00521%0.206CC..Hα-helixtrans-55.8-40.5176.6-69.6-173.1172.700112.1I86 L89 V127 M128 R135 S136 I139 I180I86-M131 HydrophobicContact CG2-CE 4.27Å; I86-M131 WeakPolarHBondContact O-CE 3.37Å; L89-M131 HydrophobicContact CB-CE 4.32Å; V127-M131 HydrophobicContact CG2-CE 4.07Å; V127-M131 HydrophobicContact CG2-SD 4.15Å; V127-M131 PolarHBondContact O-N 2.92Å; M128-M131 PolarHBondContact O-N 3.41Å; M131-R135 WeakPolarHBondContact O-CA 3.48Å; M131-R135 PolarHBondContact O-N 3.14Å; M131-S136 WeakPolarHBondContact CA-O 3.47Å; M131-S136 PolarHBondContact O-N 2.88Å; M131-S136 VanDerWaalsContact O-N 3.16Å; M131-I139 HydrophobicContact CE-CG1 4.38Å; M131-I139 HydrophobicContact SD-CD1 4.29Å; M131-I139 HydrophobicContact SD-CG1 3.95Å; M131-I180 HydrophobicContact CB-CD1 3.64Å; M131-I180 HydrophobicContact CB-CG1 4.07Å; M131-I180 HydrophobicContact SD-CG2 4.23Å
132K98.4Very high98.5Very high53 Ų5343.1 Ų43.123%0.2320%0.201CC..Hα-helixtrans-67.6-44176.7-78.6-173.1167.5175.60111.8M128 P129 D130 R134 R135 Q174 F178 I180M128-K132 HydrophobicContact CG-CD 3.92Å; M128-K132 HydrophobicContact CG-CG 3.98Å; M128-K132 WeakPolarHBondContact O-CB 3.21Å; M128-K132 WeakPolarHBondContact O-CG 3.27Å; M128-K132 PolarHBondContact O-N 3.32Å; M128-K132 HydrophobicContact SD-CD 4.23Å; M128-K132 VanDerWaalsContact SD-CE 3.59Å; P129-K132 PolarHBondContact O-N 2.81Å; D130-K132 VanDerWaalsContact C-N 3.26Å; D130-K132 PolarHBondContact O-N 3.43Å; K132-R134 VanDerWaalsContact C-N 3.33Å; K132-R134 PolarHBondContact O-N 3.41Å; K132-R135 WeakPolarHBondContact O-CG 3.21Å; K132-R135 PolarHBondContact O-N 2.88Å; K132-Q174 VanDerWaalsContact NZ-OE1 3.08Å; K132-F178 HydrophobicContact CB-CD1 3.84Å; K132-F178 HydrophobicContact CB-CE1 4.2Å; K132-F178 HydrophobicContact CB-CG 4.39Å; K132-F178 HydrophobicContact CD-CD1 4.05Å; K132-F178 HydrophobicContact CD-CD2 4.24Å; K132-F178 HydrophobicContact CD-CE1 3.94Å; K132-F178 HydrophobicContact CD-CE2 4.14Å; K132-F178 HydrophobicContact CD-CG 4.21Å; K132-F178 HydrophobicContact CD-CZ 3.99Å; K132-F178 HydrophobicContact CG-CB 4.21Å; K132-F178 HydrophobicContact CG-CD1 3.66Å; K132-F178 HydrophobicContact CG-CD2 4.23Å; K132-F178 HydrophobicContact CG-CE1 4.04Å; K132-F178 HydrophobicContact CG-CG 3.76Å; K132-F178 HydrophobicContact CG-CZ 4.5Å; K132-I180 HydrophobicContact CB-CD1 4.44Å; K132-I180 HydrophobicContact CG-CD1 3.71Å
133K98.1Very high98.4Very high183 Ų18340.9 Ų40.980%0.79619%0.193SC*.Hα-helixtrans-58.4-45178.1-178.9-177.9177.4-175.50111.6P129 D130P129-K133 WeakPolarHBondContact O-CB 3.36Å; P129-K133 PolarHBondContact O-N 3.26Å; D130-K133 WeakPolarHBondContact O-CB 2.85Å; D130-K133 PolarHBondContact O-N 2.96Å; D130-K133 VanDerWaalsContact O-N 3.1Å
134R97.6Very high98.3Very high67 Ų6741.4 Ų41.425%0.25320%0.197SC..Hα-helixtrans-88.9-2.4-178.873.9-162.3-160.691.1-3.3114.3H85 I86 D87 D130 K132 S136H85-R134 PolarHBondContact CE1-NH1 3.3Å; H85-R134 PolarHBondContact NE2-NH1 3.07Å; I86-R134 PolarHBondContact O-NH2 3.29Å; D87-R134 VanDerWaalsContact CA-NH2 3.28Å; D87-R134 IonicContact OD1-CZ 3.92Å; D87-R134 IonicContact OD1-NH1 2.78Å; D87-R134 PolarHBondContact OD1-NH1 3.47Å; D87-R134 IonicContact OD1-NH2 3.43Å; D87-R134 PolarHBondContact OD1-NH2 2.87Å; D130-R134 VanDerWaalsContact O-CG 3.29Å; D130-R134 WeakPolarHBondContact O-CG 3.23Å; D130-R134 PolarHBondContact O-N 3.17Å; D130-R134 WeakPolarHBondContact OD2-CD 3.26Å; D130-R134 IonicContact OD2-NE 3.51Å; K132-R134 VanDerWaalsContact C-N 3.33Å; K132-R134 PolarHBondContact O-N 3.41Å; R134-S136 VanDerWaalsContact CZ-O 3.29Å; R134-S136 PolarHBondContact NE-O 3.04Å; R134-S136 VanDerWaalsContact NE-O 3.14Å; R134-S136 PolarHBondContact NH2-O 2.88Å; R134-S136 PolarHBondContact O-N 3.43Å
135R98.2Very high98.1Very high133 Ų13341.6 Ų41.650%0.50220%0.199SC..THydrogen-bonded Turntrans49.642-178.9-57.6-17965.882.23.6113M131 K132 K177 F178 N179M131-R135 WeakPolarHBondContact O-CA 3.48Å; M131-R135 PolarHBondContact O-N 3.14Å; K132-R135 WeakPolarHBondContact O-CG 3.21Å; K132-R135 PolarHBondContact O-N 2.88Å; R135-K177 PolarHBondContact NH1-O 3.3Å; R135-K177 PolarHBondContact NH2-O 3.18Å; R135-F178 CarbonylContact C-O 3.22Å; R135-F178 WeakPolarHBondContact CA-O 3.39Å; R135-F178 WeakPolarHBondContact CB-O 3.39Å; R135-N179 WeakPolarHBondContact O-CB 3.26Å; R135-N179 PolarHBondContact O-ND2 2.82Å
136S98.1Very high98Very high49 Ų4936.1 Ų36.134%0.34318%0.176SC..  trans-158.5140.9-177.5-175.70000109.9M131 R134M131-S136 WeakPolarHBondContact CA-O 3.47Å; M131-S136 PolarHBondContact O-N 2.88Å; M131-S136 VanDerWaalsContact O-N 3.16Å; R134-S136 VanDerWaalsContact CZ-O 3.29Å; R134-S136 PolarHBondContact NE-O 3.04Å; R134-S136 VanDerWaalsContact NE-O 3.14Å; R134-S136 PolarHBondContact NH2-O 2.88Å; R134-S136 PolarHBondContact O-N 3.43Å
137G98.3Very high97.8Very high7 Ų734.4 Ų34.47%0.07217%0.168CC..EExtended strand (participates in β ladder)trans159.1158.6177.200000111.4D87 I180 R181D87-G137 WeakPolarHBondContact O-CA 3.5Å; G137-I180 WeakPolarHBondContact O-CA 3.39Å; G137-R181 PolarHBondContact O-N 3.44Å
138H98.8Very high97.6Very high9 Ų934.7 Ų34.74%0.04217%0.17CC..EExtended strand (participates in β ladder)trans-131.6119.8173.1-164171.7000109.8D87 I88 L89 R181 S183D87-H138 PolarHBondContact O-N 3.08Å; I88-H138 CarbonylContact C-O 3.59Å; I88-H138 VanDerWaalsContact CA-O 3.26Å; I88-H138 WeakPolarHBondContact CA-O 3.25Å; I88-H138 HydrophobicContact CG1-CB 4.33Å; L89-H138 PolarHBondContact N-O 2.95Å; H138-R181 CarbonylContact C-O 3.55Å; H138-R181 WeakPolarHBondContact CA-O 3.29Å; H138-R181 HydrophobicContact CB-CB 4.29Å; H138-S183 PolarHBondContact NE2-OG 3.38Å
139I98.9Very high97.4Very high0 Ų033.9 Ų33.90%017%0.165CC..EExtended strand (participates in β ladder)trans-98.7120.2172.2-59.1170.5000107.5I124 M131 V141 L175 I180 R181 L182 S183I124-I139 HydrophobicContact CD1-CG2 4.05Å; I124-I139 HydrophobicContact CG1-CD1 4.41Å; I124-I139 HydrophobicContact CG1-CG2 4Å; I124-I139 HydrophobicContact CG2-CD1 4.3Å; M131-I139 HydrophobicContact CE-CG1 4.38Å; M131-I139 HydrophobicContact SD-CD1 4.29Å; M131-I139 HydrophobicContact SD-CG1 3.95Å; I139-V141 HydrophobicContact CG2-CG2 3.94Å; I139-L175 HydrophobicContact CD1-CD1 4.27Å; I139-I180 HydrophobicContact CD1-CG2 4.36Å; I139-R181 PolarHBondContact N-O 3.04Å; I139-L182 HydrophobicContact CB-CD1 4.34Å; I139-L182 HydrophobicContact CB-CG 4.27Å; I139-L182 HydrophobicContact CG2-CD1 4.25Å; I139-L182 HydrophobicContact CG2-CG 4.4Å; I139-L182 CarbonylContact O-C 3.53Å; I139-L182 VanDerWaalsContact O-CA 3.26Å; I139-L182 WeakPolarHBondContact O-CA 3.36Å; I139-S183 PolarHBondContact O-N 3.06Å
140V98.9Very high97.1Very high0 Ų032.1 Ų32.10%016%0.162CC..EExtended strand (participates in β ladder)trans-110.4131.1173.1-176.40000108.1I88 L89 I90 N91 S183 I185 T244 I248I88-V140 HydrophobicContact CG2-CG2 4.33Å; L89-V140 PolarHBondContact O-N 2.95Å; I90-V140 CarbonylContact C-O 3.55Å; I90-V140 WeakPolarHBondContact CA-O 3.45Å; I90-V140 HydrophobicContact CG1-CB 4.2Å; I90-V140 HydrophobicContact CG2-CB 4.44Å; I90-V140 HydrophobicContact CG2-CG1 4.46Å; N91-V140 PolarHBondContact N-O 3.44Å; V140-S183 CarbonylContact C-O 3.57Å; V140-S183 VanDerWaalsContact CA-O 3.29Å; V140-S183 WeakPolarHBondContact CA-O 3.19Å; V140-I185 HydrophobicContact CG1-CD1 4.27Å; V140-I185 HydrophobicContact CG1-CG1 3.65Å; V140-T244 HydrophobicContact CG1-CG2 4.33Å; V140-I248 HydrophobicContact CG2-CG2 3.82Å
141V98.8Very high96.8Very high0 Ų031.4 Ų31.40%016%0.16CC..EExtended strand (participates in β ladder)trans-123.1127-177.9-177.20000109.4N91 V120 I139 S143 M164 S183 M184 I185N91-V141 HydrophobicContact CB-CG1 4.49Å; N91-V141 HydrophobicContact CB-CG2 4.36Å; V120-V141 HydrophobicContact CG1-CG1 4.2Å; V120-V141 HydrophobicContact CG1-CG2 4.36Å; I139-V141 HydrophobicContact CG2-CG2 3.94Å; V141-S143 PolarHBondContact O-N 2.83Å; V141-M164 HydrophobicContact CG1-CE 4.4Å; V141-M164 HydrophobicContact CG1-CG 3.7Å; V141-M164 HydrophobicContact CG1-SD 3.23Å; V141-M164 WeakPolarHBondContact CG1-SD 3.21Å; V141-S183 PolarHBondContact N-O 3.26Å; V141-M184 HydrophobicContact CB-CE 4.14Å; V141-M184 HydrophobicContact CB-SD 3.75Å; V141-M184 HydrophobicContact CG1-CE 3.98Å; V141-M184 HydrophobicContact CG1-SD 4.23Å; V141-M184 HydrophobicContact CG2-SD 4.31Å; V141-M184 WeakPolarHBondContact O-CA 3.44Å; V141-I185 PolarHBondContact O-N 2.8Å
142M98.5Very high96.6Very high8 Ų834.2 Ų34.24%0.03918%0.177CC..EExtended strand (participates in β ladder)trans-85.395.1178.3-153.761.757.800109.8I18 I22 N91 N92 K161 I185 P187 I240I18-M142 HydrophobicContact CG2-CE 3.9Å; I18-M142 HydrophobicContact CG2-CG 4.43Å; I18-M142 HydrophobicContact CG2-SD 4.12Å; I22-M142 HydrophobicContact CD1-CE 3.57Å; N91-M142 WeakPolarHBondContact O-CB 3.28Å; N91-M142 PolarHBondContact O-N 2.93Å; N92-M142 HydrophobicContact CB-CB 4.24Å; M142-K161 PolarHBondContact O-NZ 2.83Å; M142-I185 HydrophobicContact CE-CB 4.12Å; M142-I185 HydrophobicContact CE-CG1 4.21Å; M142-I185 HydrophobicContact CE-CG2 4.32Å; M142-I185 HydrophobicContact SD-CB 3.64Å; M142-I185 HydrophobicContact SD-CG1 4.38Å; M142-I185 HydrophobicContact SD-CG2 3.63Å; M142-P187 HydrophobicContact CG-CG 4.42Å; M142-P187 HydrophobicContact SD-CG 3.83Å; M142-I240 HydrophobicContact CE-CG2 4.29Å; M142-I240 HydrophobicContact SD-CG2 3.88Å
143S97.4Very high96.6Very high4 Ų432.6 Ų32.63%0.02817%0.17CC..  trans-83.8-143.2176.7-167.10000110.5V141 E165 I185V141-S143 PolarHBondContact O-N 2.83Å; S143-E165 WeakPolarHBondContact CB-OE1 3.43Å; S143-E165 PolarHBondContact OG-OE1 3.47Å; S143-I185 WeakPolarHBondContact CA-O 3.34Å; S143-I185 WeakPolarHBondContact CB-O 3.41Å; S143-I185 PolarHBondContact N-O 3.21Å
144S96.8Very high96.5Very high11 Ų1124.1 Ų24.18%0.07713%0.133CC..  trans-166159.8174.4178.50000108.6M146 G147 P187S144-M146 PolarHBondContact O-N 2.8Å; S144-M146 PolarHBondContact OG-N 2.92Å; S144-M146 VanDerWaalsContact OG-N 3.08Å; S144-G147 WeakPolarHBondContact O-CA 3.33Å; S144-G147 PolarHBondContact O-N 3.37Å; S144-P187 CarbonylContact C-O 3.54Å; S144-P187 WeakPolarHBondContact CA-O 3.38Å
145V95Very high96.5Very high6 Ų624.4 Ų24.44%0.03614%0.14CC..G310 helixtrans-56.7-27.3162.973.30000112.3G147 L148 Q149 P187 L258 Y263 V267V145-G147 PolarHBondContact O-N 3.03Å; V145-L148 WeakPolarHBondContact O-CA 3.12Å; V145-L148 WeakPolarHBondContact O-CB 3.41Å; V145-L148 PolarHBondContact O-N 2.85Å; V145-Q149 PolarHBondContact O-N 3.49Å; V145-Q149 VanDerWaalsContact O-N 3.12Å; V145-P187 PolarHBondContact N-O 2.76Å; V145-L258 HydrophobicContact CG2-CD1 4.43Å; V145-Y263 HydrophobicContact CB-CD1 4.21Å; V145-Y263 HydrophobicContact CB-CG 4.49Å; V145-Y263 HydrophobicContact CG1-CD1 3.95Å; V145-Y263 HydrophobicContact CG1-CE1 3.86Å; V145-Y263 HydrophobicContact CG1-CG 4.5Å; V145-Y263 HydrophobicContact CG2-CD1 3.48Å; V145-Y263 VanDerWaalsContact CG2-CD1 3.48Å; V145-Y263 HydrophobicContact CG2-CE1 4.24Å; V145-Y263 HydrophobicContact CG2-CG 3.86Å; V145-V267 HydrophobicContact CG2-CG2 3.79Å
146M95Very high96.5Very high32 Ų3218.6 Ų18.616%0.15812%0.119CC..G310 helixtrans-73-2.6171.3-65.8177.7170.600113.7S144 Q149 V151 N154 Y157 T158 F162S144-M146 PolarHBondContact O-N 2.8Å; S144-M146 PolarHBondContact OG-N 2.92Å; S144-M146 VanDerWaalsContact OG-N 3.08Å; M146-Q149 WeakPolarHBondContact CA-O 3.48Å; M146-V151 HydrophobicContact CE-CB 3.81Å; M146-V151 HydrophobicContact CE-CG1 3.86Å; M146-V151 HydrophobicContact CE-CG2 3.86Å; M146-V151 HydrophobicContact CG-CB 4.44Å; M146-V151 HydrophobicContact CG-CG2 3.88Å; M146-N154 HydrophobicContact CE-CB 4.24Å; M146-N154 HydrophobicContact SD-CB 4.13Å; M146-Y157 HydrophobicContact CB-CD1 4.36Å; M146-Y157 HydrophobicContact CB-CE1 4.12Å; M146-Y157 HydrophobicContact CG-CE1 4.47Å; M146-Y157 HydrophobicContact SD-CD1 3.58Å; M146-Y157 VanDerWaalsContact SD-CD1 3.58Å; M146-Y157 HydrophobicContact SD-CE1 3.57Å; M146-Y157 VanDerWaalsContact SD-CE1 3.57Å; M146-T158 VanDerWaalsContact O-CG2 3.28Å; M146-T158 WeakPolarHBondContact O-CG2 3.45Å; M146-F162 WeakPolarHBondContact O-CD2 3.43Å; M146-F162 WeakPolarHBondContact O-CE2 3.27Å
147G96.1Very high96.4Very high3 Ų318.2 Ų18.23%0.03111%0.11CC..G310 helixtrans-83.6-14.7162.700000112.9S144 V145 F162S144-G147 WeakPolarHBondContact O-CA 3.33Å; S144-G147 PolarHBondContact O-N 3.37Å; V145-G147 PolarHBondContact O-N 3.03Å; G147-F162 VanDerWaalsContact C-CD2 3.47Å; G147-F162 VanDerWaalsContact C-CE2 3.43Å; G147-F162 VanDerWaalsContact O-CD2 3.25Å; G147-F162 WeakPolarHBondContact O-CD2 3.47Å; G147-F162 WeakPolarHBondContact O-CE2 3.32Å; G147-F162 WeakPolarHBondContact O-CG 3.37Å
148L94.6Very high96.4Very high12 Ų1218.5 Ų18.56%0.06311%0.11CC..THydrogen-bonded Turntrans-105.1-26.1-177.3-52.7-179.3000112.3V145 F162 E165 E186 V267 K270V145-L148 WeakPolarHBondContact O-CA 3.12Å; V145-L148 WeakPolarHBondContact O-CB 3.41Å; V145-L148 PolarHBondContact O-N 2.85Å; L148-F162 VanDerWaalsContact C-CZ 3.47Å; L148-E165 HydrophobicContact CD2-CG 4.32Å; L148-E186 HydrophobicContact CD1-CG 4.42Å; L148-V267 HydrophobicContact CB-CG1 4.16Å; L148-V267 HydrophobicContact CB-CG2 4.25Å; L148-V267 HydrophobicContact CD1-CG1 4.17Å; L148-V267 HydrophobicContact CD1-CG2 4.23Å; L148-K270 WeakPolarHBondContact O-CD 3.32Å; L148-K270 PolarHBondContact O-NZ 2.93Å
149Q92.3Very high96.4Very high8 Ų820.1 Ų20.14%0.03713%0.125CC..SBendtrans-144.4152.8179.668.9174.313.500112.9V145 M146 V151 F162 F283V145-Q149 PolarHBondContact O-N 3.49Å; V145-Q149 VanDerWaalsContact O-N 3.12Å; M146-Q149 WeakPolarHBondContact CA-O 3.48Å; Q149-V151 HydrophobicContact CG-CG2 4.48Å; Q149-F162 WeakPolarHBondContact O-CE2 3.26Å; Q149-F283 VanDerWaalsContact OE1-CZ 3.28Å
150G93.1Very high96.4Very high46 Ų4620.1 Ų20.147%0.47413%0.125SC..  trans-74.2143.6171.600000112.3
151V92.3Very high96.4Very high28 Ų2820.6 Ų20.617%0.1713%0.127CC..  trans-132.4130.2171-179.20000108.1M146 Q149 N154 Y222M146-V151 HydrophobicContact CE-CB 3.81Å; M146-V151 HydrophobicContact CE-CG1 3.86Å; M146-V151 HydrophobicContact CE-CG2 3.86Å; M146-V151 HydrophobicContact CG-CB 4.44Å; M146-V151 HydrophobicContact CG-CG2 3.88Å; Q149-V151 HydrophobicContact CG-CG2 4.48Å; V151-N154 HydrophobicContact CB-CB 4.43Å; V151-N154 WeakPolarHBondContact O-CB 3.49Å; V151-N154 PolarHBondContact O-N 3.45Å; V151-Y222 HydrophobicContact CG1-CE2 4.04Å
152V94.5Very high96.3Very high59 Ų5923.9 Ų23.936%0.35814%0.142SC..THydrogen-bonded Turntrans-55.5144.8-178.766.70000111.5N154 Y222 L287V152-N154 PolarHBondContact O-N 3.06Å; V152-N154 VanDerWaalsContact O-N 3.07Å; V152-N154 PolarHBondContact O-ND2 2.83Å; V152-Y222 HydrophobicContact CG1-CD2 3.62Å; V152-Y222 HydrophobicContact CG1-CE2 4.07Å; V152-Y222 WeakPolarHBondContact O-CE2 3.23Å; V152-L287 HydrophobicContact CG1-CD2 3.54Å
153F96.5Very high96.3Very high19 Ų1925 Ų258%0.08315%0.152CC..THydrogen-bonded Turntrans634.1-176.8-54.5-66.4000115.8L98 G99 P100 D155 T214 F218 Y222L98-F153 WeakPolarHBondContact CA-O 3.38Å; L98-F153 HydrophobicContact CD1-CB 4.18Å; L98-F153 WeakPolarHBondContact CD1-O 3.32Å; G99-F153 PolarHBondContact N-O 3.22Å; P100-F153 HydrophobicContact CG-CE1 4.45Å; F153-D155 WeakPolarHBondContact CA-OD2 3.25Å; F153-T214 HydrophobicContact CE1-CG2 3.99Å; F153-F218 HydrophobicContact CB-CD2 3.79Å; F153-F218 HydrophobicContact CB-CE2 3.87Å; F153-F218 HydrophobicContact CD1-CB 4.32Å; F153-F218 AromaticContact CD1-CD2 3.78Å; F153-F218 HydrophobicContact CD1-CD2 3.78Å; F153-F218 HydrophobicContact CD1-CG 4.36Å; F153-F218 HydrophobicContact CD2-CB 4.48Å; F153-F218 AromaticContact CD2-CD2 3.62Å; F153-F218 HydrophobicContact CD2-CD2 3.62Å; F153-F218 HydrophobicContact CD2-CE2 4.42Å; F153-F218 HydrophobicContact CE1-CB 3.91Å; F153-F218 HydrophobicContact CE1-CD2 4.21Å; F153-F218 HydrophobicContact CE1-CG 4.43Å; F153-F218 HydrophobicContact CE2-CB 4.07Å; F153-F218 HydrophobicContact CE2-CD2 4.06Å; F153-F218 AromaticContact CG-CD2 3.46Å; F153-F218 HydrophobicContact CG-CD2 3.46Å; F153-F218 VanDerWaalsContact CG-CD2 3.46Å; F153-F218 HydrophobicContact CG-CE2 4.08Å; F153-F218 HydrophobicContact CG-CG 4.41Å; F153-F218 HydrophobicContact CZ-CB 3.76Å; F153-F218 HydrophobicContact CZ-CD2 4.33Å; F153-Y222 HydrophobicContact CB-CD1 4.32Å; F153-Y222 HydrophobicContact CB-CE1 4.45Å; F153-Y222 AromaticContact CD2-CD1 3.94Å; F153-Y222 HydrophobicContact CD2-CD1 3.94Å; F153-Y222 AromaticContact CD2-CD2 3.96Å; F153-Y222 HydrophobicContact CD2-CD2 3.96Å; F153-Y222 AromaticContact CD2-CG 3.51Å; F153-Y222 HydrophobicContact CD2-CG 3.51Å; F153-Y222 HydrophobicContact CE2-CG 4.18Å; F153-Y222 HydrophobicContact CG-CG 4.46Å
154N96.6Very high96.4Very high6 Ų624.9 Ų24.93%0.03215%0.152CC..  trans-112.526.2174.6-68-101.4000110.9L98 M146 V151 V152 V156 Y157 T158 Y222L98-N154 VanDerWaalsContact CD1-ND2 3.26Å; L98-N154 WeakPolarHBondContact CD1-ND2 3.36Å; L98-N154 WeakPolarHBondContact CD1-OD1 3.2Å; M146-N154 HydrophobicContact CE-CB 4.24Å; M146-N154 HydrophobicContact SD-CB 4.13Å; V151-N154 HydrophobicContact CB-CB 4.43Å; V151-N154 WeakPolarHBondContact O-CB 3.49Å; V151-N154 PolarHBondContact O-N 3.45Å; V152-N154 PolarHBondContact O-N 3.06Å; V152-N154 VanDerWaalsContact O-N 3.07Å; V152-N154 PolarHBondContact O-ND2 2.83Å; N154-V156 VanDerWaalsContact C-N 3.34Å; N154-V156 PolarHBondContact O-N 2.85Å; N154-Y157 PolarHBondContact O-N 3.21Å; N154-T158 WeakPolarHBondContact O-CB 3.35Å; N154-T158 PolarHBondContact O-N 2.96Å; N154-T158 PolarHBondContact O-OG1 3.12Å; N154-Y222 VanDerWaalsContact ND2-CZ 3.35Å; N154-Y222 PolarHBondContact ND2-OH 2.92Å
155D97.6Very high96.4Very high72 Ų7224.8 Ų24.839%0.38515%0.15SC..Hα-helixtrans-55.5-48.4-162.8-51.1-84.5000111.9V101 F153 A159V101-D155 HydrophobicContact CG2-CB 4.37Å; F153-D155 WeakPolarHBondContact CA-OD2 3.25Å; D155-A159 VanDerWaalsContact O-CB 3.27Å; D155-A159 WeakPolarHBondContact O-CB 3.4Å; D155-A159 PolarHBondContact O-N 3.38Å
156V97.9Very high96.6Very high12 Ų1226.2 Ų26.27%0.07317%0.166CC..Hα-helixtrans-74.8-41.9-177.1-1770000111.9L97 M109 V112 F113 N154 A159 S160L97-V156 HydrophobicContact CD2-CB 3.97Å; L97-V156 HydrophobicContact CD2-CG1 3.98Å; L97-V156 HydrophobicContact CD2-CG2 4.29Å; M109-V156 HydrophobicContact CB-CG1 3.91Å; M109-V156 HydrophobicContact CB-CG2 4.42Å; M109-V156 HydrophobicContact CE-CG2 4.19Å; M109-V156 HydrophobicContact CG-CG1 4.1Å; M109-V156 HydrophobicContact CG-CG2 3.73Å; M109-V156 HydrophobicContact SD-CG2 3.95Å; V112-V156 HydrophobicContact CB-CG1 4.14Å; V112-V156 HydrophobicContact CG1-CG1 4.18Å; F113-V156 HydrophobicContact CD2-CG1 4.37Å; F113-V156 HydrophobicContact CE2-CG1 4.28Å; N154-V156 VanDerWaalsContact C-N 3.34Å; N154-V156 PolarHBondContact O-N 2.85Å; V156-A159 PolarHBondContact O-N 3.28Å; V156-S160 PolarHBondContact O-N 3.37Å
157Y97.7Very high96.8Very high41 Ų4127.7 Ų27.716%0.16117%0.172CC..Hα-helixtrans-62.5-48.7176.9174.1-106.9000110.7V95 M146 N154 A159 S160 K161V95-Y157 WeakPolarHBondContact O-CD2 3.49Å; M146-Y157 HydrophobicContact CB-CD1 4.36Å; M146-Y157 HydrophobicContact CB-CE1 4.12Å; M146-Y157 HydrophobicContact CG-CE1 4.47Å; M146-Y157 HydrophobicContact SD-CD1 3.58Å; M146-Y157 VanDerWaalsContact SD-CD1 3.58Å; M146-Y157 HydrophobicContact SD-CE1 3.57Å; M146-Y157 VanDerWaalsContact SD-CE1 3.57Å; N154-Y157 PolarHBondContact O-N 3.21Å; Y157-A159 PolarHBondContact O-N 2.97Å; Y157-S160 PolarHBondContact O-N 2.95Å; Y157-S160 VanDerWaalsContact O-N 3.17Å; Y157-S160 PolarHBondContact O-OG 2.92Å; Y157-K161 HydrophobicContact CE1-CG 4.22Å; Y157-K161 HydrophobicContact CE2-CD 4.44Å; Y157-K161 HydrophobicContact CE2-CG 4.12Å; Y157-K161 PolarHBondContact O-N 2.63Å; Y157-K161 VanDerWaalsContact O-N 3.07Å; Y157-K161 VanDerWaalsContact OH-CE 3.26Å; Y157-K161 WeakPolarHBondContact OH-CE 3.16Å
158T97.8Very high96.9Very high12 Ų1227.6 Ų27.67%0.07417%0.17CC..Hα-helixtrans-53.7-52.5173-61.30000110.3M146 N154 S160 K161 F162M146-T158 VanDerWaalsContact O-CG2 3.28Å; M146-T158 WeakPolarHBondContact O-CG2 3.45Å; N154-T158 WeakPolarHBondContact O-CB 3.35Å; N154-T158 PolarHBondContact O-N 2.96Å; N154-T158 PolarHBondContact O-OG1 3.12Å; T158-S160 VanDerWaalsContact C-N 3.28Å; T158-S160 PolarHBondContact O-N 3.18Å; T158-K161 PolarHBondContact O-N 2.79Å; T158-F162 HydrophobicContact CG2-CD2 3.71Å; T158-F162 HydrophobicContact CG2-CE2 3.6Å; T158-F162 WeakPolarHBondContact O-CD2 3.47Å; T158-F162 PolarHBondContact O-N 3Å
159A98.5Very high97.1Very high43 Ų4331.4 Ų31.436%0.35519%0.188SC..Hα-helixtrans-56.1-42178.900000112.2F113 D155 V156 Y157 K161 F162 A163F113-A159 HydrophobicContact CE2-CB 4.17Å; F113-A159 HydrophobicContact CZ-CB 3.92Å; D155-A159 VanDerWaalsContact O-CB 3.27Å; D155-A159 WeakPolarHBondContact O-CB 3.4Å; D155-A159 PolarHBondContact O-N 3.38Å; V156-A159 PolarHBondContact O-N 3.28Å; Y157-A159 PolarHBondContact O-N 2.97Å; A159-K161 VanDerWaalsContact C-N 3.33Å; A159-K161 PolarHBondContact O-N 2.68Å; A159-F162 PolarHBondContact O-N 3.39Å; A159-A163 WeakPolarHBondContact O-CB 3.26Å; A159-A163 PolarHBondContact O-N 3.25Å
160S98.6Very high97.4Very high0 Ų035.4 Ų35.40%022%0.216CC..Hα-helixtrans-64.3-35.3177.580.70000113.1N116 V156 Y157 T158 M164N116-S160 PolarHBondContact ND2-OG 3.4Å; V156-S160 PolarHBondContact O-N 3.37Å; Y157-S160 PolarHBondContact O-N 2.95Å; Y157-S160 VanDerWaalsContact O-N 3.17Å; Y157-S160 PolarHBondContact O-OG 2.92Å; T158-S160 VanDerWaalsContact C-N 3.28Å; T158-S160 PolarHBondContact O-N 3.18Å; S160-M164 PolarHBondContact O-N 2.6Å
161K98.1Very high97.6Very high10 Ų1033.6 Ų33.64%0.04320%0.196CC..Hα-helixtrans-77-36.5177.6-66.4-61.3-172.31760112.2M142 Y157 T158 A159 M164 E165M142-K161 PolarHBondContact O-NZ 2.83Å; Y157-K161 HydrophobicContact CE1-CG 4.22Å; Y157-K161 HydrophobicContact CE2-CD 4.44Å; Y157-K161 HydrophobicContact CE2-CG 4.12Å; Y157-K161 PolarHBondContact O-N 2.63Å; Y157-K161 VanDerWaalsContact O-N 3.07Å; Y157-K161 VanDerWaalsContact OH-CE 3.26Å; Y157-K161 WeakPolarHBondContact OH-CE 3.16Å; T158-K161 PolarHBondContact O-N 2.79Å; A159-K161 VanDerWaalsContact C-N 3.33Å; A159-K161 PolarHBondContact O-N 2.68Å; K161-M164 HydrophobicContact CD-CE 4.16Å; K161-M164 HydrophobicContact CD-SD 4.4Å; K161-M164 WeakPolarHBondContact O-CB 3.39Å; K161-M164 PolarHBondContact O-N 3.17Å; K161-E165 PolarHBondContact O-N 3.48Å
162F98.5Very high97.8Very high69 Ų6933.1 Ų33.130%0.30320%0.195SC..Hα-helixtrans-62.8-43.5170.1-91.6-111.2000112.3M146 G147 L148 Q149 T158 A159 M164 E165 G166 K270M146-F162 WeakPolarHBondContact O-CD2 3.43Å; M146-F162 WeakPolarHBondContact O-CE2 3.27Å; G147-F162 VanDerWaalsContact C-CD2 3.47Å; G147-F162 VanDerWaalsContact C-CE2 3.43Å; G147-F162 VanDerWaalsContact O-CD2 3.25Å; G147-F162 WeakPolarHBondContact O-CD2 3.47Å; G147-F162 WeakPolarHBondContact O-CE2 3.32Å; G147-F162 WeakPolarHBondContact O-CG 3.37Å; L148-F162 VanDerWaalsContact C-CZ 3.47Å; Q149-F162 WeakPolarHBondContact O-CE2 3.26Å; T158-F162 HydrophobicContact CG2-CD2 3.71Å; T158-F162 HydrophobicContact CG2-CE2 3.6Å; T158-F162 WeakPolarHBondContact O-CD2 3.47Å; T158-F162 PolarHBondContact O-N 3Å; A159-F162 PolarHBondContact O-N 3.39Å; F162-M164 PolarHBondContact O-N 3.11Å; F162-E165 WeakPolarHBondContact O-CB 3.37Å; F162-E165 PolarHBondContact O-N 3.4Å; F162-G166 PolarHBondContact O-N 2.94Å; F162-K270 VanDerWaalsContact CZ-NZ 3.3Å
163A98.6Very high97.9Very high31 Ų3135.3 Ų35.326%0.25621%0.208SC..Hα-helixtrans-58.3-39.8176.200000111.2F113 F117 A159 F167F113-A163 HydrophobicContact CE1-CB 4.07Å; F117-A163 HydrophobicContact CD2-CB 3.81Å; F117-A163 HydrophobicContact CE2-CB 4.07Å; F117-A163 HydrophobicContact CG-CB 4.38Å; A159-A163 WeakPolarHBondContact O-CB 3.26Å; A159-A163 PolarHBondContact O-N 3.25Å; A163-F167 VanDerWaalsContact O-CB 3.27Å; A163-F167 WeakPolarHBondContact O-CB 3.37Å; A163-F167 PolarHBondContact O-N 2.99Å
164M97.8Very high97.9Very high3 Ų338.7 Ų38.72%0.01522%0.224CC..Hα-helixtrans-64.5-44.7175.4-177.1-171-63.500112.7N116 V120 V141 S160 K161 F162 F167 C168 M184N116-M164 WeakPolarHBondContact O-CE 3.25Å; V120-M164 HydrophobicContact CG2-CE 3.91Å; V141-M164 HydrophobicContact CG1-CE 4.4Å; V141-M164 HydrophobicContact CG1-CG 3.7Å; V141-M164 HydrophobicContact CG1-SD 3.23Å; V141-M164 WeakPolarHBondContact CG1-SD 3.21Å; S160-M164 PolarHBondContact O-N 2.6Å; K161-M164 HydrophobicContact CD-CE 4.16Å; K161-M164 HydrophobicContact CD-SD 4.4Å; K161-M164 WeakPolarHBondContact O-CB 3.39Å; K161-M164 PolarHBondContact O-N 3.17Å; F162-M164 PolarHBondContact O-N 3.11Å; M164-F167 PolarHBondContact O-N 2.96Å; M164-C168 VanDerWaalsContact O-CB 3.28Å; M164-C168 WeakPolarHBondContact O-CB 3.21Å; M164-C168 PolarHBondContact O-N 3.41Å; M164-C168 PolarHBondContact O-SG 2.86Å; M164-M184 HydrophobicContact CG-CE 4.03Å; M164-M184 HydrophobicContact SD-CE 4.36Å
165E98.4Very high98Very high9 Ų938.4 Ų38.44%0.04222%0.223CC..Hα-helixtrans-56.8-52.7174.8-74.5-62.5140.800111.6S143 L148 K161 F162 F167 C168 E169 M184 R256S143-E165 WeakPolarHBondContact CB-OE1 3.43Å; S143-E165 PolarHBondContact OG-OE1 3.47Å; L148-E165 HydrophobicContact CD2-CG 4.32Å; K161-E165 PolarHBondContact O-N 3.48Å; F162-E165 WeakPolarHBondContact O-CB 3.37Å; F162-E165 PolarHBondContact O-N 3.4Å; E165-F167 PolarHBondContact O-N 3.36Å; E165-C168 PolarHBondContact O-N 3.25Å; E165-E169 WeakPolarHBondContact O-CB 3.16Å; E165-E169 PolarHBondContact O-N 2.95Å; E165-M184 WeakPolarHBondContact OE1-CE 3.47Å; E165-R256 IonicContact OE2-CZ 2.74Å; E165-R256 IonicContact OE2-NE 2.82Å; E165-R256 PolarHBondContact OE2-NE 3.38Å; E165-R256 IonicContact OE2-NH2 3.6Å; E165-R256 PolarHBondContact OE2-NH2 3.27Å
166G98.5Very high97.9Very high36 Ų3641.7 Ų41.737%0.37124%0.239SC..Hα-helixtrans-62.6-41.4-179.300000112.9F162 S170F162-G166 PolarHBondContact O-N 2.94Å; G166-S170 VanDerWaalsContact O-CB 3.31Å; G166-S170 WeakPolarHBondContact O-CB 3.38Å; G166-S170 PolarHBondContact O-N 2.77Å; G166-S170 PolarHBondContact O-OG 3.03Å
167F98.6Very high97.9Very high63 Ų6348.9 Ų48.928%0.27627%0.27SS..Hα-helixtrans-63.6-46.7176.2174.5-96.3000112.2F117 V121 I124 A163 M164 E165 M171F117-F167 HydrophobicContact CE2-CB 3.71Å; F117-F167 HydrophobicContact CE2-CD2 4.4Å; F117-F167 HydrophobicContact CE2-CG 4.04Å; F117-F167 HydrophobicContact CZ-CB 4.32Å; F117-F167 HydrophobicContact CZ-CD2 4.28Å; F117-F167 HydrophobicContact CZ-CG 4.38Å; V121-F167 HydrophobicContact CB-CZ 4.49Å; V121-F167 HydrophobicContact CG1-CZ 4.36Å; V121-F167 HydrophobicContact CG2-CD1 4.35Å; V121-F167 HydrophobicContact CG2-CD2 4.4Å; V121-F167 HydrophobicContact CG2-CE1 3.98Å; V121-F167 HydrophobicContact CG2-CE2 4.03Å; V121-F167 HydrophobicContact CG2-CZ 3.81Å; I124-F167 HydrophobicContact CD1-CE1 4.12Å; A163-F167 VanDerWaalsContact O-CB 3.27Å; A163-F167 WeakPolarHBondContact O-CB 3.37Å; A163-F167 PolarHBondContact O-N 2.99Å; M164-F167 PolarHBondContact O-N 2.96Å; E165-F167 PolarHBondContact O-N 3.36Å; F167-M171 HydrophobicContact CE1-CE 4.2Å; F167-M171 HydrophobicContact CE1-SD 4.34Å; F167-M171 HydrophobicContact CZ-SD 4.39Å; F167-M171 WeakPolarHBondContact O-CB 3.11Å; F167-M171 PolarHBondContact O-N 3.21Å
168C98.6Very high97.9Very high0 Ų049.9 Ų49.90%028%0.275CS..Hα-helixtrans-69.4-39.2-178-69.20000112.1M164 E165 M171 A172 L182 M184 F255M164-C168 VanDerWaalsContact O-CB 3.28Å; M164-C168 WeakPolarHBondContact O-CB 3.21Å; M164-C168 PolarHBondContact O-N 3.41Å; M164-C168 PolarHBondContact O-SG 2.86Å; E165-C168 PolarHBondContact O-N 3.25Å; C168-M171 PolarHBondContact O-N 3.15Å; C168-A172 WeakPolarHBondContact O-CB 3.49Å; C168-A172 PolarHBondContact O-N 3.1Å; C168-L182 HydrophobicContact CB-CD1 4.41Å; C168-L182 HydrophobicContact CB-CD2 3.9Å; C168-M184 HydrophobicContact CB-CE 3.94Å; C168-M184 HydrophobicContact CB-SD 3.42Å; C168-M184 WeakPolarHBondContact CB-SD 3.22Å; C168-F255 HydrophobicContact CB-CZ 4.43Å
169E98.4Very high97.9Very high92 Ų9253.9 Ų53.943%0.4330%0.296SS..Hα-helixtrans-65.1-44.7176.5-173.5170.186.600111.3E165 M171 A172 F255 R256E165-E169 WeakPolarHBondContact O-CB 3.16Å; E165-E169 PolarHBondContact O-N 2.95Å; E169-M171 VanDerWaalsContact C-N 3.29Å; E169-M171 PolarHBondContact O-N 3.18Å; E169-A172 PolarHBondContact O-N 3.45Å; E169-F255 VanDerWaalsContact CA-CZ 3.41Å; E169-F255 HydrophobicContact CB-CE1 3.98Å; E169-F255 HydrophobicContact CB-CZ 3.74Å; E169-F255 HydrophobicContact CG-CE1 4.14Å; E169-F255 HydrophobicContact CG-CZ 4.28Å; E169-R256 IonicContact OE2-CZ 3.5Å; E169-R256 IonicContact OE2-NH1 2.97Å; E169-R256 PolarHBondContact OE2-NH1 3.23Å; E169-R256 IonicContact OE2-NH2 3.69Å; E169-R256 PolarHBondContact OE2-NH2 3.41Å
170S98.3Very high97.9Very high92 Ų9252.1 Ų52.164%0.64328%0.281SS*.Hα-helixtrans-58.8-42174.7-60.60000111.7G166G166-S170 VanDerWaalsContact O-CB 3.31Å; G166-S170 WeakPolarHBondContact O-CB 3.38Å; G166-S170 PolarHBondContact O-N 2.77Å; G166-S170 PolarHBondContact O-OG 3.03Å
171M97.8Very high97.9Very high8 Ų856.4 Ų56.44%0.03930%0.297CS..Hα-helixtrans-74.2-32.5-179.7-173.1178.358.700112.8I124 M128 F167 C168 E169 V173 Q174 L175 L182I124-M171 HydrophobicContact CD1-CE 3.85Å; I124-M171 HydrophobicContact CG2-CE 3.86Å; I124-M171 HydrophobicContact CG2-SD 3.64Å; M128-M171 HydrophobicContact CE-SD 3.51Å; M128-M171 VanDerWaalsContact CE-SD 3.51Å; F167-M171 HydrophobicContact CE1-CE 4.2Å; F167-M171 HydrophobicContact CE1-SD 4.34Å; F167-M171 HydrophobicContact CZ-SD 4.39Å; F167-M171 WeakPolarHBondContact O-CB 3.11Å; F167-M171 PolarHBondContact O-N 3.21Å; C168-M171 PolarHBondContact O-N 3.15Å; E169-M171 VanDerWaalsContact C-N 3.29Å; E169-M171 PolarHBondContact O-N 3.18Å; M171-V173 PolarHBondContact O-N 2.84Å; M171-Q174 HydrophobicContact CG-CG 4.23Å; M171-Q174 WeakPolarHBondContact O-CG 3.36Å; M171-Q174 PolarHBondContact O-N 3.16Å; M171-Q174 VanDerWaalsContact O-N 3.16Å; M171-L175 HydrophobicContact CE-CD1 3.96Å; M171-L175 HydrophobicContact CG-CD1 3.96Å; M171-L175 HydrophobicContact CG-CD2 4.46Å; M171-L175 HydrophobicContact CG-CG 4Å; M171-L175 WeakPolarHBondContact O-CG 3.32Å; M171-L175 PolarHBondContact O-N 2.75Å; M171-L175 HydrophobicContact SD-CD1 4.3Å; M171-L182 HydrophobicContact CE-CD1 3.18Å
172A97.6Very high97.9Very high19 Ų1956.6 Ų56.616%0.15730%0.298CS..Hα-helixtrans-55.6-39.8-17700000112.3C168 E169 Q174 L175 L176 F255C168-A172 WeakPolarHBondContact O-CB 3.49Å; C168-A172 PolarHBondContact O-N 3.1Å; E169-A172 PolarHBondContact O-N 3.45Å; A172-Q174 PolarHBondContact O-N 3Å; A172-L175 PolarHBondContact O-N 3.42Å; A172-L175 VanDerWaalsContact O-N 3.13Å; A172-L176 PolarHBondContact O-N 2.89Å; A172-F255 HydrophobicContact CB-CD2 3.91Å; A172-F255 HydrophobicContact CB-CE2 3.64Å
173V96.8Very high97.9Very high105 Ų10553.3 Ų53.364%0.63628%0.284SS*.Hα-helixtrans-57.3-46.4179.6-177.60000111.8M171M171-V173 PolarHBondContact O-N 2.84Å
174Q95.8Very high97.9Very high89 Ų8951.8 Ų51.842%0.41627%0.271SS..Hα-helixtrans-70.9-33.7178.261.5164.8-60.700112.3K132 M171 A172 L176 K177 F178K132-Q174 VanDerWaalsContact NZ-OE1 3.08Å; M171-Q174 HydrophobicContact CG-CG 4.23Å; M171-Q174 WeakPolarHBondContact O-CG 3.36Å; M171-Q174 PolarHBondContact O-N 3.16Å; M171-Q174 VanDerWaalsContact O-N 3.16Å; A172-Q174 PolarHBondContact O-N 3Å; Q174-L176 PolarHBondContact O-N 3.29Å; Q174-K177 WeakPolarHBondContact O-CB 3.46Å; Q174-K177 PolarHBondContact O-N 3.47Å; Q174-K177 VanDerWaalsContact O-N 3.11Å; Q174-F178 WeakPolarHBondContact O-CD2 3.42Å
175L97.7Very high98Very high1 Ų151.7 Ų51.71%0.00527%0.271CS..Hα-helixtrans-65.7-28.1-177.8-67.5179.3000112.6I139 M171 A172 K177 F178 N179 I180 L182I139-L175 HydrophobicContact CD1-CD1 4.27Å; M171-L175 HydrophobicContact CE-CD1 3.96Å; M171-L175 HydrophobicContact CG-CD1 3.96Å; M171-L175 HydrophobicContact CG-CD2 4.46Å; M171-L175 HydrophobicContact CG-CG 4Å; M171-L175 WeakPolarHBondContact O-CG 3.32Å; M171-L175 PolarHBondContact O-N 2.75Å; M171-L175 HydrophobicContact SD-CD1 4.3Å; A172-L175 PolarHBondContact O-N 3.42Å; A172-L175 VanDerWaalsContact O-N 3.13Å; L175-K177 PolarHBondContact O-N 3.1Å; L175-F178 CarbonylContact O-C 3.54Å; L175-F178 WeakPolarHBondContact O-CA 3.44Å; L175-F178 PolarHBondContact O-N 3.48Å; L175-N179 PolarHBondContact O-N 3.03Å; L175-I180 HydrophobicContact CB-CB 4.12Å; L175-I180 HydrophobicContact CB-CG2 4.48Å; L175-I180 WeakPolarHBondContact CB-O 3.47Å; L175-I180 HydrophobicContact CD1-CG2 4.24Å; L175-I180 HydrophobicContact CD2-CB 4.08Å; L175-I180 HydrophobicContact CD2-CD1 3.98Å; L175-I180 HydrophobicContact CD2-CG2 4.07Å; L175-I180 HydrophobicContact CG-CG2 4.49Å; L175-I180 PolarHBondContact O-N 3.46Å; L175-I180 VanDerWaalsContact O-N 3.16Å; L175-L182 HydrophobicContact CD1-CB 3.96Å; L175-L182 HydrophobicContact CD1-CD1 3.77Å
176L95.9Very high97.9Very high140 Ų14051.5 Ų51.573%0.73327%0.27SS*.Hα-helixtrans-55.2-38.3172.3-64.4177.3000112.1A172 Q174 F178 N179A172-L176 PolarHBondContact O-N 2.89Å; Q174-L176 PolarHBondContact O-N 3.29Å; L176-F178 PolarHBondContact O-N 3.4Å; L176-N179 PolarHBondContact O-N 2.91Å
177K97.1Very high97.8Very high164 Ų16450 Ų5071%0.71325%0.254SS*.THydrogen-bonded Turntrans-69.8-15.6177.4-72-62.3-169.1-177.80113.8R135 Q174 L175R135-K177 PolarHBondContact NH1-O 3.3Å; R135-K177 PolarHBondContact NH2-O 3.18Å; Q174-K177 WeakPolarHBondContact O-CB 3.46Å; Q174-K177 PolarHBondContact O-N 3.47Å; Q174-K177 VanDerWaalsContact O-N 3.11Å; L175-K177 PolarHBondContact O-N 3.1Å
178F98.3Very high97.5Very high62 Ų6247.5 Ų47.527%0.27225%0.245SC..THydrogen-bonded Turntrans-106.84.3178.3-65.1-84.7000112.9K132 R135 Q174 L175 L176 I180K132-F178 HydrophobicContact CB-CD1 3.84Å; K132-F178 HydrophobicContact CB-CE1 4.2Å; K132-F178 HydrophobicContact CB-CG 4.39Å; K132-F178 HydrophobicContact CD-CD1 4.05Å; K132-F178 HydrophobicContact CD-CD2 4.24Å; K132-F178 HydrophobicContact CD-CE1 3.94Å; K132-F178 HydrophobicContact CD-CE2 4.14Å; K132-F178 HydrophobicContact CD-CG 4.21Å; K132-F178 HydrophobicContact CD-CZ 3.99Å; K132-F178 HydrophobicContact CG-CB 4.21Å; K132-F178 HydrophobicContact CG-CD1 3.66Å; K132-F178 HydrophobicContact CG-CD2 4.23Å; K132-F178 HydrophobicContact CG-CE1 4.04Å; K132-F178 HydrophobicContact CG-CG 3.76Å; K132-F178 HydrophobicContact CG-CZ 4.5Å; R135-F178 CarbonylContact C-O 3.22Å; R135-F178 WeakPolarHBondContact CA-O 3.39Å; R135-F178 WeakPolarHBondContact CB-O 3.39Å; Q174-F178 WeakPolarHBondContact O-CD2 3.42Å; L175-F178 CarbonylContact O-C 3.54Å; L175-F178 WeakPolarHBondContact O-CA 3.44Å; L175-F178 PolarHBondContact O-N 3.48Å; L176-F178 PolarHBondContact O-N 3.4Å; F178-I180 HydrophobicContact CB-CD1 3.74Å; F178-I180 HydrophobicContact CB-CG1 3.95Å; F178-I180 PolarHBondContact O-N 3.09Å
179N97.8Very high97.2Very high96 Ų9648 Ų4851%0.51325%0.249SC..THydrogen-bonded Turntrans54.336.4-173.7-175.653.1000112.1R135 L175 L176R135-N179 WeakPolarHBondContact O-CB 3.26Å; R135-N179 PolarHBondContact O-ND2 2.82Å; L175-N179 PolarHBondContact O-N 3.03Å; L176-N179 PolarHBondContact O-N 2.91Å
180I98.6Very high96.8Very high5 Ų544.2 Ų44.23%0.02623%0.232CC..EExtended strand (participates in β ladder)trans-103.5131.1172.4-60.1167.2000107.1M131 K132 G137 I139 L175 F178M131-I180 HydrophobicContact CB-CD1 3.64Å; M131-I180 HydrophobicContact CB-CG1 4.07Å; M131-I180 HydrophobicContact SD-CG2 4.23Å; K132-I180 HydrophobicContact CB-CD1 4.44Å; K132-I180 HydrophobicContact CG-CD1 3.71Å; G137-I180 WeakPolarHBondContact O-CA 3.39Å; I139-I180 HydrophobicContact CD1-CG2 4.36Å; L175-I180 HydrophobicContact CB-CB 4.12Å; L175-I180 HydrophobicContact CB-CG2 4.48Å; L175-I180 WeakPolarHBondContact CB-O 3.47Å; L175-I180 HydrophobicContact CD1-CG2 4.24Å; L175-I180 HydrophobicContact CD2-CB 4.08Å; L175-I180 HydrophobicContact CD2-CD1 3.98Å; L175-I180 HydrophobicContact CD2-CG2 4.07Å; L175-I180 HydrophobicContact CG-CG2 4.49Å; L175-I180 PolarHBondContact O-N 3.46Å; L175-I180 VanDerWaalsContact O-N 3.16Å; F178-I180 HydrophobicContact CB-CD1 3.74Å; F178-I180 HydrophobicContact CB-CG1 3.95Å; F178-I180 PolarHBondContact O-N 3.09Å
181R98.4Very high96.3Very high90 Ų9043.7 Ų43.734%0.3422%0.219SC..EExtended strand (participates in β ladder)trans-91.9143.2-179.9-59168.7-173.7-167.4-2.4109.3G137 H138 I139 S250 E251 P253G137-R181 PolarHBondContact O-N 3.44Å; H138-R181 CarbonylContact C-O 3.55Å; H138-R181 WeakPolarHBondContact CA-O 3.29Å; H138-R181 HydrophobicContact CB-CB 4.29Å; I139-R181 PolarHBondContact N-O 3.04Å; R181-S250 PolarHBondContact NH1-O 3.19Å; R181-E251 PolarHBondContact NH1-O 3.02Å; R181-E251 PolarHBondContact NH2-O 3.44Å; R181-P253 HydrophobicContact CB-CG 4.1Å; R181-P253 HydrophobicContact CG-CG 4.19Å
182L98.8Very high95.8Very high14 Ų1444.1 Ų44.17%0.07322%0.222CC..EExtended strand (participates in β ladder)trans-130132.4169.5-165.9150.3000110.1I139 C168 M171 L175 M184 F255I139-L182 HydrophobicContact CB-CD1 4.34Å; I139-L182 HydrophobicContact CB-CG 4.27Å; I139-L182 HydrophobicContact CG2-CD1 4.25Å; I139-L182 HydrophobicContact CG2-CG 4.4Å; I139-L182 CarbonylContact O-C 3.53Å; I139-L182 VanDerWaalsContact O-CA 3.26Å; I139-L182 WeakPolarHBondContact O-CA 3.36Å; C168-L182 HydrophobicContact CB-CD1 4.41Å; C168-L182 HydrophobicContact CB-CD2 3.9Å; M171-L182 HydrophobicContact CE-CD1 3.18Å; L175-L182 HydrophobicContact CD1-CB 3.96Å; L175-L182 HydrophobicContact CD1-CD1 3.77Å; L182-M184 HydrophobicContact CD2-CG 4.38Å; L182-M184 HydrophobicContact CD2-SD 3.79Å; L182-F255 HydrophobicContact CD2-CD2 4.01Å; L182-F255 HydrophobicContact CD2-CE2 3.48Å; L182-F255 VanDerWaalsContact CD2-CE2 3.48Å; L182-F255 HydrophobicContact CD2-CZ 4.43Å
183S98.8Very high95Very high0 Ų048.4 Ų48.40%024%0.239CC..EExtended strand (participates in β ladder)trans-135.8129177.9-60.80000111.4H138 I139 V140 V141 R254 F255H138-S183 PolarHBondContact NE2-OG 3.38Å; I139-S183 PolarHBondContact O-N 3.06Å; V140-S183 CarbonylContact C-O 3.57Å; V140-S183 VanDerWaalsContact CA-O 3.29Å; V140-S183 WeakPolarHBondContact CA-O 3.19Å; V141-S183 PolarHBondContact N-O 3.26Å; S183-R254 WeakPolarHBondContact CB-O 3.4Å; S183-R254 PolarHBondContact OG-O 3.37Å; S183-F255 CarbonylContact C-O 3.58Å; S183-F255 WeakPolarHBondContact CA-O 3.46Å
184M98.6Very high94.1Very high0 Ų047.4 Ų47.40%023%0.226CC..EExtended strand (participates in β ladder)trans-86.6129.2167.3-51.6-56.1-76.900108.3V141 M164 E165 C168 L182 E186 F255 N257V141-M184 HydrophobicContact CB-CE 4.14Å; V141-M184 HydrophobicContact CB-SD 3.75Å; V141-M184 HydrophobicContact CG1-CE 3.98Å; V141-M184 HydrophobicContact CG1-SD 4.23Å; V141-M184 HydrophobicContact CG2-SD 4.31Å; V141-M184 WeakPolarHBondContact O-CA 3.44Å; M164-M184 HydrophobicContact CG-CE 4.03Å; M164-M184 HydrophobicContact SD-CE 4.36Å; E165-M184 WeakPolarHBondContact OE1-CE 3.47Å; C168-M184 HydrophobicContact CB-CE 3.94Å; C168-M184 HydrophobicContact CB-SD 3.42Å; C168-M184 WeakPolarHBondContact CB-SD 3.22Å; L182-M184 HydrophobicContact CD2-CG 4.38Å; L182-M184 HydrophobicContact CD2-SD 3.79Å; M184-E186 HydrophobicContact CB-CG 4.41Å; M184-F255 WeakPolarHBondContact CB-O 3.41Å; M184-F255 HydrophobicContact CG-CE1 4.29Å; M184-F255 HydrophobicContact CG-CE2 4.19Å; M184-F255 HydrophobicContact CG-CZ 3.91Å; M184-F255 PolarHBondContact N-O 3.1Å; M184-N257 WeakPolarHBondContact O-CB 3.49Å; M184-N257 PolarHBondContact O-N 2.92Å; M184-N257 PolarHBondContact O-ND2 3.47Å
185I98.6Very high93.4Very high0 Ų044.7 Ų44.70%021%0.214CC..EExtended strand (participates in β ladder)trans-99.7128.1162.6-52.6-58.9000105.8V140 V141 M142 S143 P187 I240 V247 N257 T259V140-I185 HydrophobicContact CG1-CD1 4.27Å; V140-I185 HydrophobicContact CG1-CG1 3.65Å; V141-I185 PolarHBondContact O-N 2.8Å; M142-I185 HydrophobicContact CE-CB 4.12Å; M142-I185 HydrophobicContact CE-CG1 4.21Å; M142-I185 HydrophobicContact CE-CG2 4.32Å; M142-I185 HydrophobicContact SD-CB 3.64Å; M142-I185 HydrophobicContact SD-CG1 4.38Å; M142-I185 HydrophobicContact SD-CG2 3.63Å; S143-I185 WeakPolarHBondContact CA-O 3.34Å; S143-I185 WeakPolarHBondContact CB-O 3.41Å; S143-I185 PolarHBondContact N-O 3.21Å; I185-P187 VanDerWaalsContact C-CD 3.47Å; I185-P187 HydrophobicContact CG2-CG 4.25Å; I185-P187 VanDerWaalsContact O-CD 3.23Å; I185-P187 WeakPolarHBondContact O-CD 3.24Å; I185-I240 HydrophobicContact CG2-CG2 4.22Å; I185-V247 HydrophobicContact CD1-CB 4.11Å; I185-V247 HydrophobicContact CD1-CG1 4.2Å; I185-V247 HydrophobicContact CD1-CG2 3.74Å; I185-N257 HydrophobicContact CD1-CB 4.02Å; I185-T259 HydrophobicContact CG2-CG2 3.57Å
186E97.8Very high92.7Very high5 Ų548.2 Ų48.22%0.02324%0.235CC..EExtended strand (participates in β ladder)trans-118.183.3-174.4-63.7157.5170.600109.3L148 M184 R256 N257 L258 T259L148-E186 HydrophobicContact CD1-CG 4.42Å; M184-E186 HydrophobicContact CB-CG 4.41Å; E186-R256 WeakPolarHBondContact OE1-CB 3.33Å; E186-R256 WeakPolarHBondContact OE1-CD 3.48Å; E186-R256 WeakPolarHBondContact OE1-CG 3.3Å; E186-R256 IonicContact OE1-NE 3.22Å; E186-N257 PolarHBondContact N-O 2.81Å; E186-L258 HydrophobicContact CB-CD1 4.22Å; E186-L258 PolarHBondContact OE2-N 3.24Å; E186-T259 PolarHBondContact O-N 3.18Å; E186-T259 VanDerWaalsContact O-N 3.17Å
187P96.3Very high92.2Very high6 Ų647.6 Ų47.64%0.03923%0.227CC..  trans-66.7144.5177-2234.6000113.4I18 M142 S144 V145 I185 V190 I240 T259I18-P187 HydrophobicContact CD1-CG 4.48Å; M142-P187 HydrophobicContact CG-CG 4.42Å; M142-P187 HydrophobicContact SD-CG 3.83Å; S144-P187 CarbonylContact C-O 3.54Å; S144-P187 WeakPolarHBondContact CA-O 3.38Å; V145-P187 PolarHBondContact N-O 2.76Å; I185-P187 VanDerWaalsContact C-CD 3.47Å; I185-P187 HydrophobicContact CG2-CG 4.25Å; I185-P187 VanDerWaalsContact O-CD 3.23Å; I185-P187 WeakPolarHBondContact O-CD 3.24Å; P187-V190 HydrophobicContact CB-CG2 3.7Å; P187-I240 HydrophobicContact CB-CD1 3.94Å; P187-I240 HydrophobicContact CG-CD1 4.2Å; P187-I240 HydrophobicContact CG-CG2 4.24Å; P187-T259 VanDerWaalsContact CA-OG1 3.31Å; P187-T259 WeakPolarHBondContact CA-OG1 3.4Å
188G92.4Very high91.7Very high9 Ų940.8 Ų40.89%0.09320%0.197CC..  trans-75.1-153.4156.200000111.2V190G188-V190 WeakPolarHBondContact O-CG2 3.31Å; G188-V190 PolarHBondContact O-N 3.25Å
189P90.5Very high91.1Very high11 Ų1138.9 Ų38.97%0.07119%0.19CC..SBendtrans-60.1131.5171.2-17.229.2000110I229 F230 G234 Q235 Y263P189-I229 HydrophobicContact CG-CG2 3.93Å; P189-F230 HydrophobicContact CB-CD1 3.52Å; P189-F230 HydrophobicContact CB-CD2 4.21Å; P189-F230 HydrophobicContact CB-CE1 3.45Å; P189-F230 VanDerWaalsContact CB-CE1 3.45Å; P189-F230 HydrophobicContact CB-CE2 4.16Å; P189-F230 HydrophobicContact CB-CG 3.9Å; P189-F230 HydrophobicContact CB-CZ 3.79Å; P189-G234 WeakPolarHBondContact O-CA 3.44Å; P189-Q235 PolarHBondContact O-N 3.32Å; P189-Y263 WeakPolarHBondContact CD-OH 3.42Å; P189-Y263 HydrophobicContact CG-CE2 4.12Å; P189-Y263 VanDerWaalsContact CG-OH 3.24Å; P189-Y263 WeakPolarHBondContact CG-OH 3.49Å
190V91Very high90.6Very high12 Ų1239.1 Ų39.17%0.07319%0.188CC..BIsolated β-bridgetrans-126.1125.8177.7-172.20000109.3I18 P187 G188 T192 Q235 P237 I240I18-V190 HydrophobicContact CD1-CB 4.35Å; I18-V190 HydrophobicContact CD1-CG1 4.25Å; I18-V190 HydrophobicContact CD1-CG2 4.13Å; I18-V190 HydrophobicContact CG1-CG1 4.07Å; P187-V190 HydrophobicContact CB-CG2 3.7Å; G188-V190 WeakPolarHBondContact O-CG2 3.31Å; G188-V190 PolarHBondContact O-N 3.25Å; V190-T192 HydrophobicContact CB-CG2 4.37Å; V190-T192 HydrophobicContact CG1-CG2 3.93Å; V190-T192 PolarHBondContact O-N 2.79Å; V190-Q235 CarbonylContact C-O 3.47Å; V190-Q235 WeakPolarHBondContact CA-O 3.49Å; V190-P237 HydrophobicContact CG1-CG 4.21Å; V190-I240 HydrophobicContact CG1-CG1 4.14Å; V190-I240 HydrophobicContact CG2-CD1 3.99Å; V190-I240 HydrophobicContact CG2-CG1 3.85Å
191H88.4Confident90.1Very high81 Ų8142.9 Ų42.938%0.37521%0.208SC..  trans-68.599176.4-65-65.5000110.1F230 Q235 P237H191-F230 PolarHBondContact CE1-O 2.95Å; H191-F230 PolarHBondContact NE2-O 2.99Å; H191-F230 VanDerWaalsContact NE2-O 3.16Å; H191-Q235 PolarHBondContact N-O 2.99Å; H191-P237 VanDerWaalsContact O-CD 3.3Å; H191-P237 WeakPolarHBondContact O-CD 3.4Å; H191-P237 WeakPolarHBondContact O-CG 3.44Å
192T86.3Confident89.6Confident18 Ų1839.3 Ų39.311%0.1120%0.196CC..  trans-128150.6174.665.50000109.4I18 V190 F194 E195 T196 P237I18-T192 HydrophobicContact CG1-CG2 4.44Å; V190-T192 HydrophobicContact CB-CG2 4.37Å; V190-T192 HydrophobicContact CG1-CG2 3.93Å; V190-T192 PolarHBondContact O-N 2.79Å; T192-F194 PolarHBondContact O-N 2.8Å; T192-E195 PolarHBondContact O-N 3.33Å; T192-E195 VanDerWaalsContact O-N 3.1Å; T192-E195 PolarHBondContact OG1-N 3.24Å; T192-T196 PolarHBondContact O-N 3.07Å; T192-T196 VanDerWaalsContact O-N 3.13Å; T192-T196 PolarHBondContact O-OG1 2.69Å; T192-P237 HydrophobicContact CG2-CG 4.12Å
193E81.4Confident89.1Confident108 Ų10841 Ų4151%0.50521%0.212SC..Hα-helixtrans-58.5-29173.4-60.5176.517200112.5K48 K197K48-E193 IonicContact NZ-OE1 3.81Å; K48-E193 PolarHBondContact NZ-OE1 2.97Å; K48-E193 IonicContact NZ-OE2 3.6Å; K48-E193 PolarHBondContact NZ-OE2 2.85Å; E193-K197 VanDerWaalsContact O-CB 3.28Å; E193-K197 WeakPolarHBondContact O-CB 3.3Å; E193-K197 PolarHBondContact O-N 3Å; E193-K197 VanDerWaalsContact O-N 3.13Å
194F77.8Confident88.6Confident84 Ų8448.3 Ų48.337%0.36824%0.244SC..Hα-helixtrans-59.5-50.9174.6171.3-93000110.8T192 M198T192-F194 PolarHBondContact O-N 2.8Å; F194-M198 HydrophobicContact CE1-SD 4.22Å; F194-M198 HydrophobicContact CZ-SD 4.25Å; F194-M198 WeakPolarHBondContact O-CB 3.16Å; F194-M198 PolarHBondContact O-N 3.34Å
195E80.9Confident88.2Confident33 Ų3353 Ų5315%0.15427%0.267CS..Hα-helixtrans-68.6-46.2-176.4-170.365.5-162.600112.2T192 K197 M198 M199 F230T192-E195 PolarHBondContact O-N 3.33Å; T192-E195 VanDerWaalsContact O-N 3.1Å; T192-E195 PolarHBondContact OG1-N 3.24Å; E195-K197 VanDerWaalsContact C-N 3.3Å; E195-K197 PolarHBondContact O-N 2.8Å; E195-M198 PolarHBondContact O-N 3.05Å; E195-M198 VanDerWaalsContact OE1-CE 3.27Å; E195-M198 WeakPolarHBondContact OE1-CE 3.49Å; E195-M198 WeakPolarHBondContact OE2-CE 3.28Å; E195-M199 WeakPolarHBondContact O-CG 3.45Å; E195-M199 PolarHBondContact O-N 2.94Å; E195-M199 WeakPolarHBondContact OE1-CE 3.4Å; E195-F230 HydrophobicContact CB-CE1 4.5Å; E195-F230 VanDerWaalsContact CD-CZ 3.5Å; E195-F230 HydrophobicContact CG-CD1 4.32Å; E195-F230 HydrophobicContact CG-CE1 3.48Å; E195-F230 VanDerWaalsContact CG-CE1 3.48Å; E195-F230 HydrophobicContact CG-CE2 4.2Å; E195-F230 HydrophobicContact CG-CZ 3.4Å; E195-F230 VanDerWaalsContact CG-CZ 3.4Å; E195-F230 VanDerWaalsContact OE1-CZ 3.24Å; E195-F230 WeakPolarHBondContact OE1-CZ 3.32Å
196T83.4Confident87.8Confident75 Ų7559 Ų5946%0.4630%0.299SS..Hα-helixtrans-57.3-46.5178-56.50000110.9T192 M199 E200T192-T196 PolarHBondContact O-N 3.07Å; T192-T196 VanDerWaalsContact O-N 3.13Å; T192-T196 PolarHBondContact O-OG1 2.69Å; T196-M199 PolarHBondContact O-N 2.88Å; T196-E200 WeakPolarHBondContact O-CG 3.14Å; T196-E200 PolarHBondContact O-N 3.46Å
197K84.1Confident87.6Confident126 Ų12659.5 Ų59.555%0.54830%0.301SS..Hα-helixtrans-64.4-42.9178.6-176.2175.9178.3-178.90112.1E193 E195 M199 E200 D201E193-K197 VanDerWaalsContact O-CB 3.28Å; E193-K197 WeakPolarHBondContact O-CB 3.3Å; E193-K197 PolarHBondContact O-N 3Å; E193-K197 VanDerWaalsContact O-N 3.13Å; E195-K197 VanDerWaalsContact C-N 3.3Å; E195-K197 PolarHBondContact O-N 2.8Å; K197-M199 VanDerWaalsContact C-N 3.34Å; K197-M199 PolarHBondContact O-N 3.34Å; K197-E200 PolarHBondContact O-N 3.03Å; K197-D201 VanDerWaalsContact CE-OD2 3.27Å; K197-D201 WeakPolarHBondContact CE-OD2 3.39Å; K197-D201 WeakPolarHBondContact O-CB 3.36Å; K197-D201 VanDerWaalsContact O-CG 3.26Å; K197-D201 PolarHBondContact O-N 3.4Å
198M88Confident87.3Confident21 Ų2164.8 Ų64.810%0.10334%0.336CS..Hα-helixtrans-58.9-46.2178.2-176.5-175.271.600111.3L98 F194 E195 D201 V202L98-M198 HydrophobicContact CB-CE 4.34Å; L98-M198 HydrophobicContact CB-SD 4.48Å; F194-M198 HydrophobicContact CE1-SD 4.22Å; F194-M198 HydrophobicContact CZ-SD 4.25Å; F194-M198 WeakPolarHBondContact O-CB 3.16Å; F194-M198 PolarHBondContact O-N 3.34Å; E195-M198 PolarHBondContact O-N 3.05Å; E195-M198 VanDerWaalsContact OE1-CE 3.27Å; E195-M198 WeakPolarHBondContact OE1-CE 3.49Å; E195-M198 WeakPolarHBondContact OE2-CE 3.28Å; M198-D201 PolarHBondContact O-N 3.45Å; M198-V202 HydrophobicContact CG-CG2 4.44Å; M198-V202 WeakPolarHBondContact O-CB 3.28Å; M198-V202 VanDerWaalsContact O-CG2 3.23Å; M198-V202 WeakPolarHBondContact O-CG2 3.39Å; M198-V202 PolarHBondContact O-N 3.39Å
199M85.5Confident87.2Confident23 Ų2368.5 Ų68.511%0.11337%0.373CS..Hα-helixtrans-62.7-43177.8-69.5-70.2174.600112L98 E195 T196 K197 A203 L223 S226 F230L98-M199 HydrophobicContact CD2-CE 3.88Å; L98-M199 HydrophobicContact CD2-SD 3.62Å; E195-M199 WeakPolarHBondContact O-CG 3.45Å; E195-M199 PolarHBondContact O-N 2.94Å; E195-M199 WeakPolarHBondContact OE1-CE 3.4Å; T196-M199 PolarHBondContact O-N 2.88Å; K197-M199 VanDerWaalsContact C-N 3.34Å; K197-M199 PolarHBondContact O-N 3.34Å; M199-A203 VanDerWaalsContact O-CB 3.27Å; M199-A203 WeakPolarHBondContact O-CB 3.31Å; M199-A203 PolarHBondContact O-N 2.85Å; M199-L223 HydrophobicContact SD-CD2 4.01Å; M199-S226 WeakPolarHBondContact CE-OG 3.29Å; M199-F230 HydrophobicContact CE-CE2 4.09Å
200E86.5Confident87.5Confident101 Ų10168.9 Ų68.947%0.47238%0.375SS..Hα-helixtrans-64.5-42177.1-74.4177-167.400113.3T196 K197 K204T196-E200 WeakPolarHBondContact O-CG 3.14Å; T196-E200 PolarHBondContact O-N 3.46Å; K197-E200 PolarHBondContact O-N 3.03Å; E200-K204 WeakPolarHBondContact O-CD 3.47Å; E200-K204 WeakPolarHBondContact O-CG 3.49Å
201D88Confident87.8Confident83 Ų8372 Ų7244%0.44439%0.392SS..Hα-helixtrans-66.5-46.2-179.6-73.9-16.7000109.9K197 M198 K204 M205K197-D201 VanDerWaalsContact CE-OD2 3.27Å; K197-D201 WeakPolarHBondContact CE-OD2 3.39Å; K197-D201 WeakPolarHBondContact O-CB 3.36Å; K197-D201 VanDerWaalsContact O-CG 3.26Å; K197-D201 PolarHBondContact O-N 3.4Å; M198-D201 PolarHBondContact O-N 3.45Å; D201-K204 PolarHBondContact O-N 3.3Å; D201-M205 PolarHBondContact O-N 3.1Å
202V88.1Confident88.2Confident16 Ų1672.1 Ų72.110%0.09741%0.407CS..Hα-helixtrans-70.3-34.5-178.2175.50000112.2L98 M198 K204 M205 F207 F218L98-V202 HydrophobicContact CD2-CG1 4.32Å; M198-V202 HydrophobicContact CG-CG2 4.44Å; M198-V202 WeakPolarHBondContact O-CB 3.28Å; M198-V202 VanDerWaalsContact O-CG2 3.23Å; M198-V202 WeakPolarHBondContact O-CG2 3.39Å; M198-V202 PolarHBondContact O-N 3.39Å; V202-K204 PolarHBondContact O-N 3.07Å; V202-M205 WeakPolarHBondContact O-CB 3.37Å; V202-M205 PolarHBondContact O-N 3.42Å; V202-M205 VanDerWaalsContact O-N 3.16Å; V202-F207 HydrophobicContact CG1-CZ 4.13Å; V202-F218 HydrophobicContact CG1-CE1 3.52Å; V202-F218 HydrophobicContact CG1-CZ 3.33Å
203A87.6Confident88.7Confident49 Ų4975 Ų7541%0.40542%0.422SS..Hα-helixtrans-61.2-30.8175.100000112.9M199 L223M199-A203 VanDerWaalsContact O-CB 3.27Å; M199-A203 WeakPolarHBondContact O-CB 3.31Å; M199-A203 PolarHBondContact O-N 2.85Å; A203-L223 HydrophobicContact CB-CD1 4.15Å
204K88.8Confident89.4Confident154 Ų15471.2 Ų71.267%0.6741%0.406SS*.THydrogen-bonded Turntrans-89.9-8.7179.5-65168.2-170.5160.40113.3E200 D201 V202E200-K204 WeakPolarHBondContact O-CD 3.47Å; E200-K204 WeakPolarHBondContact O-CG 3.49Å; D201-K204 PolarHBondContact O-N 3.3Å; V202-K204 PolarHBondContact O-N 3.07Å
205M90.8Very high90.3Very high97 Ų9768.9 Ų68.948%0.47840%0.399SS..  trans-77.7145.1-175.4-166.6165.7176.100111.2D201 V202 F207 K219D201-M205 PolarHBondContact O-N 3.1Å; V202-M205 WeakPolarHBondContact O-CB 3.37Å; V202-M205 PolarHBondContact O-N 3.42Å; V202-M205 VanDerWaalsContact O-N 3.16Å; M205-F207 HydrophobicContact CB-CZ 4.19Å; M205-F207 HydrophobicContact CG-CE1 4.43Å; M205-F207 HydrophobicContact CG-CZ 4.46Å; M205-F207 HydrophobicContact SD-CE1 4.45Å; M205-K219 VanDerWaalsContact O-CE 3.32Å; M205-K219 WeakPolarHBondContact O-CE 3.43Å; M205-K219 PolarHBondContact O-NZ 3.48Å
206D90.5Very high91Very high126 Ų12672.6 Ų72.667%0.67441%0.411SS*.  trans-95.8149.8167.7-69.5-37.6000110.2P208D206-P208 VanDerWaalsContact C-CD 3.45Å; D206-P208 VanDerWaalsContact O-CD 3.23Å; D206-P208 WeakPolarHBondContact O-CD 3.49Å
207F93.2Very high91.6Very high17 Ų1773.2 Ų73.28%0.07541%0.406CS..  trans-119.871.4-175.5-61.4-77.1000110.2P100 S103 V202 M205 G209 V210 V215 F218P100-F207 HydrophobicContact CG-CD1 4.2Å; P100-F207 HydrophobicContact CG-CE1 4.46Å; P100-F207 HydrophobicContact CG-CG 4.33Å; S103-F207 WeakPolarHBondContact OG-CD1 3.29Å; V202-F207 HydrophobicContact CG1-CZ 4.13Å; M205-F207 HydrophobicContact CB-CZ 4.19Å; M205-F207 HydrophobicContact CG-CE1 4.43Å; M205-F207 HydrophobicContact CG-CZ 4.46Å; M205-F207 HydrophobicContact SD-CE1 4.45Å; F207-G209 PolarHBondContact O-N 3.48Å; F207-V210 HydrophobicContact CB-CB 3.98Å; F207-V210 HydrophobicContact CB-CG2 3.68Å; F207-V210 WeakPolarHBondContact O-CB 3.49Å; F207-V210 PolarHBondContact O-N 3.48Å; F207-V215 HydrophobicContact CB-CG2 4.08Å; F207-F218 AromaticContact CE2-CD1 3.71Å; F207-F218 HydrophobicContact CE2-CD1 3.71Å; F207-F218 AromaticContact CE2-CE1 3.7Å; F207-F218 HydrophobicContact CE2-CE1 3.7Å; F207-F218 AromaticContact CZ-CD1 3.9Å; F207-F218 HydrophobicContact CZ-CD1 3.9Å; F207-F218 AromaticContact CZ-CE1 3.51Å; F207-F218 HydrophobicContact CZ-CE1 3.51Å; F207-F218 HydrophobicContact CZ-CZ 4.49Å
208P89.5Confident92.1Very high117 Ų11767.2 Ų67.276%0.7638%0.38SS*.THydrogen-bonded Turntrans-62.2133.3-179.327.6-34.4000110.3D206 V210D206-P208 VanDerWaalsContact C-CD 3.45Å; D206-P208 VanDerWaalsContact O-CD 3.23Å; D206-P208 WeakPolarHBondContact O-CD 3.49Å; P208-V210 VanDerWaalsContact C-N 3.33Å
209G90.3Very high92.4Very high86 Ų8668.8 Ų68.889%0.88739%0.386SS*.THydrogen-bonded Turntrans86.7-3.4-179.400000115.1F207F207-G209 PolarHBondContact O-N 3.48Å
210V97Very high92.8Very high19 Ų1973.1 Ų73.112%0.11541%0.409CS..SBendtrans-87.8143.4169.4-175.10000109.7P100 E102 F207 P208 T214 V215P100-V210 HydrophobicContact CB-CG1 3.95Å; P100-V210 HydrophobicContact CB-CG2 4.11Å; P100-V210 HydrophobicContact CG-CG1 4.16Å; E102-V210 HydrophobicContact CG-CG2 4.08Å; F207-V210 HydrophobicContact CB-CB 3.98Å; F207-V210 HydrophobicContact CB-CG2 3.68Å; F207-V210 WeakPolarHBondContact O-CB 3.49Å; F207-V210 PolarHBondContact O-N 3.48Å; P208-V210 VanDerWaalsContact C-N 3.33Å; V210-T214 HydrophobicContact CG1-CG2 3.69Å; V210-V215 HydrophobicContact CB-CG2 3.87Å; V210-V215 HydrophobicContact CG1-CG2 3.71Å
211D97.4Very high93.1Very high77 Ų7770 Ų7041%0.41240%0.397SS..  trans-69.3154.517777.386.9000112.2D213 T214 V215D211-D213 VanDerWaalsContact C-N 3.28Å; D211-D213 PolarHBondContact O-N 3.1Å; D211-D213 WeakPolarHBondContact OD1-CA 3.45Å; D211-D213 WeakPolarHBondContact OD1-CB 3.33Å; D211-D213 PolarHBondContact OD1-N 3.3Å; D211-T214 PolarHBondContact O-N 3.08Å; D211-T214 PolarHBondContact OD1-N 2.92Å; D211-T214 PolarHBondContact OD1-OG1 3.11Å; D211-T214 WeakPolarHBondContact OD2-CB 3.27Å; D211-T214 PolarHBondContact OD2-OG1 3.35Å; D211-V215 WeakPolarHBondContact O-CG2 3.26Å; D211-V215 PolarHBondContact O-N 3.41Å; D211-V215 VanDerWaalsContact O-N 3.09Å
212A96.6Very high93.4Very high84 Ų8466.7 Ų66.769%0.69438%0.379SS*.Hα-helixtrans-64-31.6-17400000113.3R216A212-R216 WeakPolarHBondContact O-CB 3.44Å; A212-R216 PolarHBondContact O-N 3.44Å
213D97Very high93.6Very high80 Ų8066.5 Ų66.543%0.42838%0.377SS..Hα-helixtrans-71.9-42.8179.7-75.7-45.2000110.6D211 R216 Y217D211-D213 VanDerWaalsContact C-N 3.28Å; D211-D213 PolarHBondContact O-N 3.1Å; D211-D213 WeakPolarHBondContact OD1-CA 3.45Å; D211-D213 WeakPolarHBondContact OD1-CB 3.33Å; D211-D213 PolarHBondContact OD1-N 3.3Å; D213-R216 WeakPolarHBondContact O-CB 3.36Å; D213-R216 PolarHBondContact O-N 3.03Å; D213-R216 IonicContact OD1-CZ 2.64Å; D213-R216 VanDerWaalsContact OD1-CZ 3.28Å; D213-R216 IonicContact OD1-NH1 3.69Å; D213-R216 IonicContact OD1-NH2 2.86Å; D213-R216 PolarHBondContact OD1-NH2 2.91Å; D213-Y217 HydrophobicContact CB-CD2 4.48Å; D213-Y217 HydrophobicContact CB-CE2 4.01Å; D213-Y217 WeakPolarHBondContact O-CD2 3.48Å; D213-Y217 VanDerWaalsContact O-CG 3.25Å; D213-Y217 PolarHBondContact O-N 3.21Å
214T97.1Very high93.8Very high28 Ų2866.8 Ų66.817%0.17238%0.375CS..Hα-helixtrans-62.7-43.3175.5-62.60000111.7P100 F153 V210 D211 R216 Y217 F218P100-T214 HydrophobicContact CB-CG2 3.87Å; P100-T214 HydrophobicContact CG-CG2 4.1Å; F153-T214 HydrophobicContact CE1-CG2 3.99Å; V210-T214 HydrophobicContact CG1-CG2 3.69Å; D211-T214 PolarHBondContact O-N 3.08Å; D211-T214 PolarHBondContact OD1-N 2.92Å; D211-T214 PolarHBondContact OD1-OG1 3.11Å; D211-T214 WeakPolarHBondContact OD2-CB 3.27Å; D211-T214 PolarHBondContact OD2-OG1 3.35Å; T214-R216 VanDerWaalsContact C-N 3.32Å; T214-R216 PolarHBondContact O-N 3.41Å; T214-Y217 PolarHBondContact O-N 2.88Å; T214-F218 WeakPolarHBondContact O-CB 3.49Å; T214-F218 PolarHBondContact O-N 3.14Å
215V96.6Very high94Very high35 Ų3560.2 Ų60.221%0.21235%0.348CS..Hα-helixtrans-60.5-42.9174.3176.50000111F207 V210 D211 F218 K219F207-V215 HydrophobicContact CB-CG2 4.08Å; V210-V215 HydrophobicContact CB-CG2 3.87Å; V210-V215 HydrophobicContact CG1-CG2 3.71Å; D211-V215 WeakPolarHBondContact O-CG2 3.26Å; D211-V215 PolarHBondContact O-N 3.41Å; D211-V215 VanDerWaalsContact O-N 3.09Å; V215-F218 PolarHBondContact O-N 3.37Å; V215-K219 HydrophobicContact CG1-CD 4.11Å; V215-K219 HydrophobicContact CG1-CG 4.38Å; V215-K219 WeakPolarHBondContact O-CB 3.47Å; V215-K219 PolarHBondContact O-N 2.89Å
216R95.5Very high94Very high110 Ų11056 Ų5642%0.41533%0.328SS..Hα-helixtrans-62.2-49.4176-174-172.964.4-158.6-13.3111.5A212 D213 T214 F218 K219 D220A212-R216 WeakPolarHBondContact O-CB 3.44Å; A212-R216 PolarHBondContact O-N 3.44Å; D213-R216 WeakPolarHBondContact O-CB 3.36Å; D213-R216 PolarHBondContact O-N 3.03Å; D213-R216 IonicContact OD1-CZ 2.64Å; D213-R216 VanDerWaalsContact OD1-CZ 3.28Å; D213-R216 IonicContact OD1-NH1 3.69Å; D213-R216 IonicContact OD1-NH2 2.86Å; D213-R216 PolarHBondContact OD1-NH2 2.91Å; T214-R216 VanDerWaalsContact C-N 3.32Å; T214-R216 PolarHBondContact O-N 3.41Å; R216-F218 PolarHBondContact O-N 3.47Å; R216-K219 PolarHBondContact O-N 3.25Å; R216-D220 HydrophobicContact CG-CB 4.31Å; R216-D220 WeakPolarHBondContact CG-OD2 3.43Å; R216-D220 WeakPolarHBondContact O-CA 3.47Å; R216-D220 VanDerWaalsContact O-CB 3.28Å; R216-D220 WeakPolarHBondContact O-CB 3.43Å; R216-D220 PolarHBondContact O-N 3.05Å
217Y95.6Very high93.9Very high89 Ų8954 Ų5435%0.34932%0.316SS..Iπ-helixtrans-61.2-36.1178.3-66-38.5000112.1D213 T214 V221 Y222 F288D213-Y217 HydrophobicContact CB-CD2 4.48Å; D213-Y217 HydrophobicContact CB-CE2 4.01Å; D213-Y217 WeakPolarHBondContact O-CD2 3.48Å; D213-Y217 VanDerWaalsContact O-CG 3.25Å; D213-Y217 PolarHBondContact O-N 3.21Å; T214-Y217 PolarHBondContact O-N 2.88Å; Y217-V221 HydrophobicContact CD1-CG2 4.33Å; Y217-V221 WeakPolarHBondContact O-CB 3.39Å; Y217-V221 PolarHBondContact O-N 3.19Å; Y217-Y222 PolarHBondContact O-N 3.17Å; Y217-F288 HydrophobicContact CD1-CD1 4.14Å; Y217-F288 AromaticContact CD1-CE1 3.7Å; Y217-F288 HydrophobicContact CD1-CE1 3.7Å; Y217-F288 HydrophobicContact CE1-CD1 4.45Å; Y217-F288 HydrophobicContact CE1-CE1 4.36Å; Y217-F288 AromaticContact CG-CE1 3.84Å; Y217-F288 HydrophobicContact CG-CE1 3.84Å
218F95.5Very high93.7Very high0 Ų054.4 Ų54.40%032%0.32CS..Iπ-helixtrans-68.7-56.3175.9-179-116.7000112.2L98 P100 F153 V202 F207 T214 V215 R216 Y222 L223L98-F218 HydrophobicContact CD1-CE2 4.23Å; L98-F218 HydrophobicContact CD2-CE2 4.28Å; L98-F218 HydrophobicContact CD2-CZ 4.14Å; L98-F218 HydrophobicContact CG-CE2 3.93Å; L98-F218 HydrophobicContact CG-CZ 4.01Å; P100-F218 HydrophobicContact CG-CB 4.33Å; P100-F218 HydrophobicContact CG-CD1 4.43Å; P100-F218 HydrophobicContact CG-CG 4.31Å; F153-F218 HydrophobicContact CB-CD2 3.79Å; F153-F218 HydrophobicContact CB-CE2 3.87Å; F153-F218 HydrophobicContact CD1-CB 4.32Å; F153-F218 AromaticContact CD1-CD2 3.78Å; F153-F218 HydrophobicContact CD1-CD2 3.78Å; F153-F218 HydrophobicContact CD1-CG 4.36Å; F153-F218 HydrophobicContact CD2-CB 4.48Å; F153-F218 AromaticContact CD2-CD2 3.62Å; F153-F218 HydrophobicContact CD2-CD2 3.62Å; F153-F218 HydrophobicContact CD2-CE2 4.42Å; F153-F218 HydrophobicContact CE1-CB 3.91Å; F153-F218 HydrophobicContact CE1-CD2 4.21Å; F153-F218 HydrophobicContact CE1-CG 4.43Å; F153-F218 HydrophobicContact CE2-CB 4.07Å; F153-F218 HydrophobicContact CE2-CD2 4.06Å; F153-F218 AromaticContact CG-CD2 3.46Å; F153-F218 HydrophobicContact CG-CD2 3.46Å; F153-F218 VanDerWaalsContact CG-CD2 3.46Å; F153-F218 HydrophobicContact CG-CE2 4.08Å; F153-F218 HydrophobicContact CG-CG 4.41Å; F153-F218 HydrophobicContact CZ-CB 3.76Å; F153-F218 HydrophobicContact CZ-CD2 4.33Å; V202-F218 HydrophobicContact CG1-CE1 3.52Å; V202-F218 HydrophobicContact CG1-CZ 3.33Å; F207-F218 AromaticContact CE2-CD1 3.71Å; F207-F218 HydrophobicContact CE2-CD1 3.71Å; F207-F218 AromaticContact CE2-CE1 3.7Å; F207-F218 HydrophobicContact CE2-CE1 3.7Å; F207-F218 AromaticContact CZ-CD1 3.9Å; F207-F218 HydrophobicContact CZ-CD1 3.9Å; F207-F218 AromaticContact CZ-CE1 3.51Å; F207-F218 HydrophobicContact CZ-CE1 3.51Å; F207-F218 HydrophobicContact CZ-CZ 4.49Å; T214-F218 WeakPolarHBondContact O-CB 3.49Å; T214-F218 PolarHBondContact O-N 3.14Å; V215-F218 PolarHBondContact O-N 3.37Å; R216-F218 PolarHBondContact O-N 3.47Å; F218-Y222 AromaticContact CD2-CD1 3.9Å; F218-Y222 HydrophobicContact CD2-CD1 3.9Å; F218-Y222 AromaticContact CE2-CD1 3.71Å; F218-Y222 HydrophobicContact CE2-CD1 3.71Å; F218-Y222 HydrophobicContact CE2-CE1 4.18Å; F218-Y222 PolarHBondContact O-N 2.9Å; F218-L223 HydrophobicContact CE1-CD1 3.95Å; F218-L223 HydrophobicContact CE1-CD2 4.48Å; F218-L223 HydrophobicContact CE1-CG 4.21Å; F218-L223 HydrophobicContact CE2-CD2 4.09Å; F218-L223 HydrophobicContact CE2-CG 4.18Å; F218-L223 HydrophobicContact CZ-CD1 4.09Å; F218-L223 HydrophobicContact CZ-CD2 3.79Å; F218-L223 HydrophobicContact CZ-CG 3.92Å; F218-L223 PolarHBondContact O-N 2.75Å
219K94.2Very high93.7Very high54 Ų5450.8 Ų50.824%0.23529%0.293CS..Iπ-helixtrans-75.9-39.1-172.3-70.7-167.6174.1-172.40113.7M205 V215 R216 P224M205-K219 VanDerWaalsContact O-CE 3.32Å; M205-K219 WeakPolarHBondContact O-CE 3.43Å; M205-K219 PolarHBondContact O-NZ 3.48Å; V215-K219 HydrophobicContact CG1-CD 4.11Å; V215-K219 HydrophobicContact CG1-CG 4.38Å; V215-K219 WeakPolarHBondContact O-CB 3.47Å; V215-K219 PolarHBondContact O-N 2.89Å; R216-K219 PolarHBondContact O-N 3.25Å; K219-P224 VanDerWaalsContact O-CD 3.31Å; K219-P224 WeakPolarHBondContact O-CD 3.17Å
220D92.8Very high93.6Very high113 Ų11348.4 Ų48.460%0.60426%0.259SS*.Iπ-helixtrans-101.1-16-168.7-56-20000112.8R216R216-D220 HydrophobicContact CG-CB 4.31Å; R216-D220 WeakPolarHBondContact CG-OD2 3.43Å; R216-D220 WeakPolarHBondContact O-CA 3.47Å; R216-D220 VanDerWaalsContact O-CB 3.28Å; R216-D220 WeakPolarHBondContact O-CB 3.43Å; R216-D220 PolarHBondContact O-N 3.05Å
221V93.2Very high93.1Very high36 Ų3651.9 Ų51.922%0.21827%0.274CS..Iπ-helixtrans-116.4-58.2-179.7-171.20000111.3Y217 S225 L287 F288Y217-V221 HydrophobicContact CD1-CG2 4.33Å; Y217-V221 WeakPolarHBondContact O-CB 3.39Å; Y217-V221 PolarHBondContact O-N 3.19Å; V221-S225 WeakPolarHBondContact O-CB 3.32Å; V221-S225 PolarHBondContact O-N 3.32Å; V221-S225 PolarHBondContact O-OG 3.43Å; V221-L287 HydrophobicContact CG1-CD1 3.95Å; V221-L287 HydrophobicContact CG1-CG 3.84Å; V221-L287 WeakPolarHBondContact CG1-O 3.34Å; V221-F288 HydrophobicContact CB-CE1 4.45Å; V221-F288 HydrophobicContact CG1-CD1 4.08Å; V221-F288 HydrophobicContact CG1-CE1 4.15Å
222Y94.5Very high92.6Very high13 Ų1348.5 Ų48.55%0.05126%0.257CS..Iπ-helixtrans-70.4-51.9-173.6174-93.7000113.2L98 V151 V152 F153 N154 Y217 F218 S225 S226 L287L98-Y222 HydrophobicContact CD1-CD1 4.36Å; L98-Y222 HydrophobicContact CD1-CE1 3.39Å; L98-Y222 HydrophobicContact CD2-CE1 4.12Å; L98-Y222 HydrophobicContact CG-CE1 4.25Å; V151-Y222 HydrophobicContact CG1-CE2 4.04Å; V152-Y222 HydrophobicContact CG1-CD2 3.62Å; V152-Y222 HydrophobicContact CG1-CE2 4.07Å; V152-Y222 WeakPolarHBondContact O-CE2 3.23Å; F153-Y222 HydrophobicContact CB-CD1 4.32Å; F153-Y222 HydrophobicContact CB-CE1 4.45Å; F153-Y222 AromaticContact CD2-CD1 3.94Å; F153-Y222 HydrophobicContact CD2-CD1 3.94Å; F153-Y222 AromaticContact CD2-CD2 3.96Å; F153-Y222 HydrophobicContact CD2-CD2 3.96Å; F153-Y222 AromaticContact CD2-CG 3.51Å; F153-Y222 HydrophobicContact CD2-CG 3.51Å; F153-Y222 HydrophobicContact CE2-CG 4.18Å; F153-Y222 HydrophobicContact CG-CG 4.46Å; N154-Y222 VanDerWaalsContact ND2-CZ 3.35Å; N154-Y222 PolarHBondContact ND2-OH 2.92Å; Y217-Y222 PolarHBondContact O-N 3.17Å; F218-Y222 AromaticContact CD2-CD1 3.9Å; F218-Y222 HydrophobicContact CD2-CD1 3.9Å; F218-Y222 AromaticContact CE2-CD1 3.71Å; F218-Y222 HydrophobicContact CE2-CD1 3.71Å; F218-Y222 HydrophobicContact CE2-CE1 4.18Å; F218-Y222 PolarHBondContact O-N 2.9Å; Y222-S225 PolarHBondContact O-N 3.01Å; Y222-S226 WeakPolarHBondContact O-CB 3.41Å; Y222-S226 PolarHBondContact O-N 3.2Å; Y222-L287 HydrophobicContact CD2-CD2 4.38Å
223L92.8Very high92.2Very high13 Ų1345.7 Ų45.77%0.06823%0.229CC..Hα-helixtrans-57.7-48.7-177.2-74.9-179000112.8L98 M199 A203 F218 S225 S226 I227L98-L223 HydrophobicContact CD2-CD2 3.79Å; M199-L223 HydrophobicContact SD-CD2 4.01Å; A203-L223 HydrophobicContact CB-CD1 4.15Å; F218-L223 HydrophobicContact CE1-CD1 3.95Å; F218-L223 HydrophobicContact CE1-CD2 4.48Å; F218-L223 HydrophobicContact CE1-CG 4.21Å; F218-L223 HydrophobicContact CE2-CD2 4.09Å; F218-L223 HydrophobicContact CE2-CG 4.18Å; F218-L223 HydrophobicContact CZ-CD1 4.09Å; F218-L223 HydrophobicContact CZ-CD2 3.79Å; F218-L223 HydrophobicContact CZ-CG 3.92Å; F218-L223 PolarHBondContact O-N 2.75Å; L223-S225 PolarHBondContact O-N 3.14Å; L223-S226 PolarHBondContact O-N 2.93Å; L223-I227 WeakPolarHBondContact O-CG1 3.24Å; L223-I227 PolarHBondContact O-N 2.7Å
224P91.6Very high91.8Very high55 Ų5543.1 Ų43.136%0.35722%0.221SC..Hα-helixtrans-60.5-43.9176.1-24.635.5000112.7K219 S226 I227 D228K219-P224 VanDerWaalsContact O-CD 3.31Å; K219-P224 WeakPolarHBondContact O-CD 3.17Å; P224-S226 VanDerWaalsContact C-N 3.31Å; P224-S226 PolarHBondContact O-N 3.12Å; P224-I227 WeakPolarHBondContact O-CB 3.36Å; P224-I227 PolarHBondContact O-N 3.24Å; P224-D228 PolarHBondContact O-N 3.14Å
225S91.8Very high91.7Very high15 Ų1543 Ų4311%0.10522%0.219CC..Hα-helixtrans-63-38.4178.4-59.30000112.1V221 Y222 L223 D228 I229 L287V221-S225 WeakPolarHBondContact O-CB 3.32Å; V221-S225 PolarHBondContact O-N 3.32Å; V221-S225 PolarHBondContact O-OG 3.43Å; Y222-S225 PolarHBondContact O-N 3.01Å; L223-S225 PolarHBondContact O-N 3.14Å; S225-D228 PolarHBondContact O-N 3.4Å; S225-I229 WeakPolarHBondContact O-CD1 3.24Å; S225-I229 VanDerWaalsContact O-CG1 3.26Å; S225-I229 WeakPolarHBondContact O-CG1 3.37Å; S225-I229 PolarHBondContact O-N 3.07Å; S225-L287 WeakPolarHBondContact OG-CD1 3.38Å
226S90.6Very high91.6Very high8 Ų843.9 Ų43.96%0.05622%0.224CC..Hα-helixtrans-63.2-45.2175.4-169.20000110.8M199 Y222 L223 P224 D228 I229 F230M199-S226 WeakPolarHBondContact CE-OG 3.29Å; Y222-S226 WeakPolarHBondContact O-CB 3.41Å; Y222-S226 PolarHBondContact O-N 3.2Å; L223-S226 PolarHBondContact O-N 2.93Å; P224-S226 VanDerWaalsContact C-N 3.31Å; P224-S226 PolarHBondContact O-N 3.12Å; S226-D228 PolarHBondContact O-N 2.91Å; S226-I229 PolarHBondContact O-N 3.23Å; S226-F230 WeakPolarHBondContact O-CD2 3.47Å; S226-F230 PolarHBondContact O-N 3.3Å
227I89.6Confident91.6Very high84 Ų8439.4 Ų39.443%0.43121%0.21SC..Hα-helixtrans-58.3-48.5175.7-67.7165.4000110.8L223 P224 I229 F230 E231L223-I227 WeakPolarHBondContact O-CG1 3.24Å; L223-I227 PolarHBondContact O-N 2.7Å; P224-I227 WeakPolarHBondContact O-CB 3.36Å; P224-I227 PolarHBondContact O-N 3.24Å; I227-I229 VanDerWaalsContact C-N 3.31Å; I227-I229 PolarHBondContact O-N 3.25Å; I227-F230 PolarHBondContact O-N 3.11Å; I227-F230 VanDerWaalsContact O-N 3.15Å; I227-E231 HydrophobicContact CG2-CG 4.38Å; I227-E231 WeakPolarHBondContact O-CG 2.96Å; I227-E231 PolarHBondContact O-N 3.21Å
228D88.8Confident91.7Very high27 Ų2738.1 Ų38.114%0.14421%0.207CC..Hα-helixtrans-57.5-43.9177.9-72.6-23.7000112.1P224 S225 S226 E231 A232 H295 M298P224-D228 PolarHBondContact O-N 3.14Å; S225-D228 PolarHBondContact O-N 3.4Å; S226-D228 PolarHBondContact O-N 2.91Å; D228-E231 PolarHBondContact O-N 2.75Å; D228-A232 VanDerWaalsContact O-CB 3.28Å; D228-A232 WeakPolarHBondContact O-CB 3.25Å; D228-A232 PolarHBondContact O-N 3.31Å; D228-H295 IonicContact OD1-CE1 3.43Å; D228-H295 IonicContact OD1-ND1 3.22Å; D228-H295 PolarHBondContact OD1-ND1 3.03Å; D228-H295 IonicContact OD2-CE1 2.71Å; D228-H295 IonicContact OD2-CG 3.65Å; D228-H295 IonicContact OD2-ND1 3.65Å; D228-H295 PolarHBondContact OD2-ND1 3.06Å; D228-M298 HydrophobicContact CB-CB 3.95Å; D228-M298 HydrophobicContact CB-CG 4.09Å
229I88.8Confident91.7Very high40 Ų4040.3 Ų40.321%0.20522%0.218CC..Hα-helixtrans-63.4-44.4177.1-71.3165.3000110.7P189 S225 S226 I227 A232 M233 Y263 M294 M298P189-I229 HydrophobicContact CG-CG2 3.93Å; S225-I229 WeakPolarHBondContact O-CD1 3.24Å; S225-I229 VanDerWaalsContact O-CG1 3.26Å; S225-I229 WeakPolarHBondContact O-CG1 3.37Å; S225-I229 PolarHBondContact O-N 3.07Å; S226-I229 PolarHBondContact O-N 3.23Å; I227-I229 VanDerWaalsContact C-N 3.31Å; I227-I229 PolarHBondContact O-N 3.25Å; I229-A232 PolarHBondContact O-N 3.34Å; I229-M233 HydrophobicContact CG2-SD 4.22Å; I229-M233 WeakPolarHBondContact O-CA 3.39Å; I229-M233 WeakPolarHBondContact O-CB 3.35Å; I229-M233 PolarHBondContact O-N 3.18Å; I229-Y263 WeakPolarHBondContact CG2-OH 3.43Å; I229-M294 HydrophobicContact CD1-CE 4.43Å; I229-M298 HydrophobicContact CG1-SD 4.36Å
230F88.1Confident91.9Very high36 Ų3637.7 Ų37.716%0.15821%0.207CC..Hα-helixtrans-60.6-45.5176.9-96.3-85.9000111.2P189 H191 E195 M199 S226 I227 G234P189-F230 HydrophobicContact CB-CD1 3.52Å; P189-F230 HydrophobicContact CB-CD2 4.21Å; P189-F230 HydrophobicContact CB-CE1 3.45Å; P189-F230 VanDerWaalsContact CB-CE1 3.45Å; P189-F230 HydrophobicContact CB-CE2 4.16Å; P189-F230 HydrophobicContact CB-CG 3.9Å; P189-F230 HydrophobicContact CB-CZ 3.79Å; H191-F230 PolarHBondContact CE1-O 2.95Å; H191-F230 PolarHBondContact NE2-O 2.99Å; H191-F230 VanDerWaalsContact NE2-O 3.16Å; E195-F230 HydrophobicContact CB-CE1 4.5Å; E195-F230 VanDerWaalsContact CD-CZ 3.5Å; E195-F230 HydrophobicContact CG-CD1 4.32Å; E195-F230 HydrophobicContact CG-CE1 3.48Å; E195-F230 VanDerWaalsContact CG-CE1 3.48Å; E195-F230 HydrophobicContact CG-CE2 4.2Å; E195-F230 HydrophobicContact CG-CZ 3.4Å; E195-F230 VanDerWaalsContact CG-CZ 3.4Å; E195-F230 VanDerWaalsContact OE1-CZ 3.24Å; E195-F230 WeakPolarHBondContact OE1-CZ 3.32Å; M199-F230 HydrophobicContact CE-CE2 4.09Å; S226-F230 WeakPolarHBondContact O-CD2 3.47Å; S226-F230 PolarHBondContact O-N 3.3Å; I227-F230 PolarHBondContact O-N 3.11Å; I227-F230 VanDerWaalsContact O-N 3.15Å; F230-G234 WeakPolarHBondContact O-CA 3.18Å; F230-G234 PolarHBondContact O-N 3.07Å
231E86.9Confident92.2Very high93 Ų9332.4 Ų32.444%0.43518%0.179SC..Hα-helixtrans-67.5-38.6179.4-69.1-167.7136.900113.4I227 D228 K302I227-E231 HydrophobicContact CG2-CG 4.38Å; I227-E231 WeakPolarHBondContact O-CG 2.96Å; I227-E231 PolarHBondContact O-N 3.21Å; D228-E231 PolarHBondContact O-N 2.75Å; E231-K302 HydrophobicContact CB-CD 4.33Å; E231-K302 IonicContact OE1-NZ 2.65Å; E231-K302 PolarHBondContact OE1-NZ 3.44Å; E231-K302 IonicContact OE2-NZ 3.29Å; E231-K302 PolarHBondContact OE2-NZ 2.71Å
232A86.3Confident92.4Very high6 Ų636.7 Ų36.75%0.0520%0.195CC..Hα-helixtrans-82.4-36-175.800000113.1D228 I229 M298 L301 K302D228-A232 VanDerWaalsContact O-CB 3.28Å; D228-A232 WeakPolarHBondContact O-CB 3.25Å; D228-A232 PolarHBondContact O-N 3.31Å; I229-A232 PolarHBondContact O-N 3.34Å; A232-M298 HydrophobicContact CB-CB 4.1Å; A232-M298 HydrophobicContact CB-CG 4.47Å; A232-M298 HydrophobicContact CB-SD 3.8Å; A232-L301 HydrophobicContact CB-CB 4.19Å; A232-K302 HydrophobicContact CB-CB 4.49Å
233M88Confident92.6Very high25 Ų2537.8 Ų37.812%0.12320%0.204CC..Hα-helixtrans-120.30.6-168.6-54.6177.769.900113.7I229 N260 L262 Y263 M298I229-M233 HydrophobicContact CG2-SD 4.22Å; I229-M233 WeakPolarHBondContact O-CA 3.39Å; I229-M233 WeakPolarHBondContact O-CB 3.35Å; I229-M233 PolarHBondContact O-N 3.18Å; M233-N260 PolarHBondContact O-ND2 2.84Å; M233-L262 HydrophobicContact CB-CD1 4.48Å; M233-L262 HydrophobicContact CE-CB 3.4Å; M233-L262 HydrophobicContact CE-CD1 3.94Å; M233-L262 HydrophobicContact CE-CG 4.32Å; M233-L262 HydrophobicContact CG-CD1 4.26Å; M233-Y263 HydrophobicContact CE-CD2 3.9Å; M233-Y263 HydrophobicContact CE-CE2 3.58Å; M233-Y263 HydrophobicContact SD-CE2 4.41Å; M233-M298 HydrophobicContact CG-SD 4.43Å; M233-M298 HydrophobicContact SD-SD 4.27Å
234G90.2Very high92.8Very high25 Ų2537.1 Ų37.126%0.25820%0.2SC..PPolyproline II helixtrans-64136.8-177.600000113.6P189 F230P189-G234 WeakPolarHBondContact O-CA 3.44Å; F230-G234 WeakPolarHBondContact O-CA 3.18Å; F230-G234 PolarHBondContact O-N 3.07Å
235Q94Very high93.2Very high26 Ų2636.8 Ų36.812%0.12119%0.193CC..BIsolated β-bridgetrans-96.3162.1170.5-62.4-172.1-84.600110.6P189 V190 H191 D239 I240 T259P189-Q235 PolarHBondContact O-N 3.32Å; V190-Q235 CarbonylContact C-O 3.47Å; V190-Q235 WeakPolarHBondContact CA-O 3.49Å; H191-Q235 PolarHBondContact N-O 2.99Å; Q235-D239 HydrophobicContact CB-CB 4.33Å; Q235-I240 HydrophobicContact CB-CD1 4.33Å; Q235-T259 PolarHBondContact NE2-O 3.13Å; Q235-T259 PolarHBondContact OE1-O 2.98Å; Q235-T259 PolarHBondContact OE1-OG1 2.63Å
236T95Very high93.5Very high53 Ų5341 Ų4133%0.32522%0.218SC..PPolyproline II helixtrans-91.7154.5173.165.80000110.9E238 D239 I240T236-E238 VanDerWaalsContact CB-OE2 3.24Å; T236-E238 WeakPolarHBondContact CB-OE2 3.24Å; T236-E238 PolarHBondContact O-N 2.84Å; T236-E238 VanDerWaalsContact O-N 3.14Å; T236-E238 PolarHBondContact OG1-OE2 2.85Å; T236-D239 PolarHBondContact N-OD2 3.17Å; T236-D239 WeakPolarHBondContact O-CB 3.32Å; T236-D239 PolarHBondContact O-N 3.38Å; T236-D239 PolarHBondContact OG1-N 3.48Å; T236-D239 PolarHBondContact OG1-OD2 2.99Å; T236-I240 PolarHBondContact O-N 3.44Å
237P96.1Very high93.8Very high17 Ų1741 Ų4111%0.1122%0.217CC..Hα-helixtrans-53.5-30.1169.6-2837.4000112.9R21 V190 H191 T192 I240 A241R21-P237 HydrophobicContact CB-CB 3.82Å; R21-P237 HydrophobicContact CG-CB 4.25Å; V190-P237 HydrophobicContact CG1-CG 4.21Å; H191-P237 VanDerWaalsContact O-CD 3.3Å; H191-P237 WeakPolarHBondContact O-CD 3.4Å; H191-P237 WeakPolarHBondContact O-CG 3.44Å; T192-P237 HydrophobicContact CG2-CG 4.12Å; P237-I240 PolarHBondContact O-N 3.48Å; P237-A241 WeakPolarHBondContact O-CB 3.27Å; P237-A241 PolarHBondContact O-N 2.93Å
238E96.4Very high94.2Very high61 Ų6137 Ų3729%0.28520%0.197SC..Hα-helixtrans-65.2-39.3175.8-66.469-156.800112.1R21 T236 A241 K242R21-E238 HydrophobicContact CG-CB 4.41Å; R21-E238 HydrophobicContact CG-CG 4.04Å; R21-E238 IonicContact CZ-OE1 2.63Å; R21-E238 IonicContact NE-OE1 3.28Å; R21-E238 PolarHBondContact NE-OE1 3.42Å; R21-E238 IonicContact NH2-OE1 2.74Å; R21-E238 PolarHBondContact NH2-OE1 3.26Å; T236-E238 VanDerWaalsContact CB-OE2 3.24Å; T236-E238 WeakPolarHBondContact CB-OE2 3.24Å; T236-E238 PolarHBondContact O-N 2.84Å; T236-E238 VanDerWaalsContact O-N 3.14Å; T236-E238 PolarHBondContact OG1-OE2 2.85Å; E238-A241 PolarHBondContact O-N 3.34Å; E238-K242 VanDerWaalsContact O-CG 3.29Å; E238-K242 WeakPolarHBondContact O-CG 3.35Å; E238-K242 PolarHBondContact O-N 3.38Å
239D96.6Very high94.6Very high46 Ų4639.4 Ų39.425%0.24621%0.207CC..Hα-helixtrans-64.7-43.2176.5-61.1-42.5000110.6Q235 T236 K242 C243Q235-D239 HydrophobicContact CB-CB 4.33Å; T236-D239 PolarHBondContact N-OD2 3.17Å; T236-D239 WeakPolarHBondContact O-CB 3.32Å; T236-D239 PolarHBondContact O-N 3.38Å; T236-D239 PolarHBondContact OG1-N 3.48Å; T236-D239 PolarHBondContact OG1-OD2 2.99Å; D239-K242 PolarHBondContact O-N 2.73Å; D239-C243 PolarHBondContact O-N 3.05Å
240I98.1Very high95Very high0 Ų039.6 Ų39.60%021%0.213CC..Hα-helixtrans-65.9-40.2177-51.1-52.7000111.1I18 M142 I185 P187 V190 Q235 T236 P237 C243 T244 T259I18-I240 HydrophobicContact CD1-CG1 4.4Å; I18-I240 HydrophobicContact CD1-CG2 4.35Å; I18-I240 HydrophobicContact CG1-CB 4.41Å; I18-I240 HydrophobicContact CG1-CG1 4.37Å; I18-I240 HydrophobicContact CG1-CG2 4.38Å; I18-I240 HydrophobicContact CG2-CB 4.22Å; I18-I240 HydrophobicContact CG2-CG2 3.63Å; M142-I240 HydrophobicContact CE-CG2 4.29Å; M142-I240 HydrophobicContact SD-CG2 3.88Å; I185-I240 HydrophobicContact CG2-CG2 4.22Å; P187-I240 HydrophobicContact CB-CD1 3.94Å; P187-I240 HydrophobicContact CG-CD1 4.2Å; P187-I240 HydrophobicContact CG-CG2 4.24Å; V190-I240 HydrophobicContact CG1-CG1 4.14Å; V190-I240 HydrophobicContact CG2-CD1 3.99Å; V190-I240 HydrophobicContact CG2-CG1 3.85Å; Q235-I240 HydrophobicContact CB-CD1 4.33Å; T236-I240 PolarHBondContact O-N 3.44Å; P237-I240 PolarHBondContact O-N 3.48Å; I240-C243 PolarHBondContact O-N 2.91Å; I240-T244 WeakPolarHBondContact O-CB 3.31Å; I240-T244 PolarHBondContact O-N 3.32Å; I240-T244 PolarHBondContact O-OG1 2.84Å; I240-T259 HydrophobicContact CD1-CG2 3.96Å; I240-T259 WeakPolarHBondContact CD1-OG1 3.37Å
241A98.3Very high95.3Very high1 Ų145.7 Ų45.71%0.00824%0.242CC..Hα-helixtrans-65.1-39.6176.800000112.8R21 I22 P237 E238 T244 K245R21-A241 HydrophobicContact CB-CB 4.3Å; R21-A241 HydrophobicContact CG-CB 3.71Å; I22-A241 HydrophobicContact CG1-CB 3.91Å; P237-A241 WeakPolarHBondContact O-CB 3.27Å; P237-A241 PolarHBondContact O-N 2.93Å; E238-A241 PolarHBondContact O-N 3.34Å; A241-T244 PolarHBondContact O-N 2.86Å; A241-K245 WeakPolarHBondContact O-CB 3.23Å; A241-K245 PolarHBondContact O-N 3Å
242K97.7Very high95.7Very high127 Ų12751.8 Ų51.855%0.55226%0.261SS*.Hα-helixtrans-63-47.4173.5-73.2169-172.9166.90111.4E238 D239 T244 K245 V246E238-K242 VanDerWaalsContact O-CG 3.29Å; E238-K242 WeakPolarHBondContact O-CG 3.35Å; E238-K242 PolarHBondContact O-N 3.38Å; D239-K242 PolarHBondContact O-N 2.73Å; K242-T244 PolarHBondContact O-N 2.89Å; K242-K245 PolarHBondContact O-N 3.44Å; K242-V246 WeakPolarHBondContact O-CG2 3.45Å; K242-V246 PolarHBondContact O-N 2.66Å
243C98.1Very high96.2Very high35 Ų3552.7 Ų52.724%0.23627%0.266CS..Hα-helixtrans-58.7-48.2176.5-1780000111.1D239 I240 K245 V246 V247 T259D239-C243 PolarHBondContact O-N 3.05Å; I240-C243 PolarHBondContact O-N 2.91Å; C243-K245 VanDerWaalsContact C-N 3.31Å; C243-K245 PolarHBondContact O-N 3.34Å; C243-V246 WeakPolarHBondContact O-CB 3.44Å; C243-V246 PolarHBondContact O-N 3.28Å; C243-V246 VanDerWaalsContact O-N 3.15Å; C243-V247 WeakPolarHBondContact O-CG2 3.32Å; C243-V247 PolarHBondContact O-N 2.75Å; C243-T259 HydrophobicContact CB-CG2 4.21Å
244T98.6Very high96.6Very high0 Ų060.6 Ų60.60%029%0.294CS..Hα-helixtrans-58.2-43.4177.4-56.40000111.5I22 I90 V140 I240 A241 K242 V247 I248I22-T244 HydrophobicContact CD1-CG2 4.16Å; I22-T244 HydrophobicContact CG2-CG2 4.3Å; I90-T244 HydrophobicContact CD1-CG2 4.15Å; V140-T244 HydrophobicContact CG1-CG2 4.33Å; I240-T244 WeakPolarHBondContact O-CB 3.31Å; I240-T244 PolarHBondContact O-N 3.32Å; I240-T244 PolarHBondContact O-OG1 2.84Å; A241-T244 PolarHBondContact O-N 2.86Å; K242-T244 PolarHBondContact O-N 2.89Å; T244-V247 PolarHBondContact O-N 2.67Å; T244-I248 PolarHBondContact O-N 3.48Å
245K98.3Very high97Very high47 Ų4761.8 Ų61.820%0.20429%0.293CS..Hα-helixtrans-60.6-44.6176.4-175.3172.1-180173.40111.9T25 L26 D29 A241 K242 C243 V247 I248 E249T25-K245 HydrophobicContact CG2-CD 4.04Å; L26-K245 HydrophobicContact CD2-CB 4.3Å; L26-K245 HydrophobicContact CD2-CD 4.35Å; L26-K245 HydrophobicContact CD2-CG 4.11Å; D29-K245 WeakPolarHBondContact OD1-CE 3.18Å; D29-K245 IonicContact OD1-NZ 3.65Å; D29-K245 PolarHBondContact OD1-NZ 3.19Å; A241-K245 WeakPolarHBondContact O-CB 3.23Å; A241-K245 PolarHBondContact O-N 3Å; K242-K245 PolarHBondContact O-N 3.44Å; C243-K245 VanDerWaalsContact C-N 3.31Å; C243-K245 PolarHBondContact O-N 3.34Å; K245-V247 VanDerWaalsContact C-N 3.31Å; K245-V247 PolarHBondContact O-N 2.72Å; K245-I248 WeakPolarHBondContact O-CG1 3.34Å; K245-I248 PolarHBondContact O-N 2.84Å; K245-E249 WeakPolarHBondContact CE-OE1 3.24Å; K245-E249 WeakPolarHBondContact CG-OE1 3.27Å; K245-E249 WeakPolarHBondContact O-CB 3.15Å; K245-E249 VanDerWaalsContact O-CG 3.27Å; K245-E249 WeakPolarHBondContact O-CG 3.44Å; K245-E249 PolarHBondContact O-N 2.65Å; K245-E249 VanDerWaalsContact O-N 3.12Å
246V98.1Very high97.2Very high105 Ų10564.7 Ų64.764%0.63630%0.302SS*.Hα-helixtrans-59.4-43.2175170.30000111.1K242 C243 E249 S250K242-V246 WeakPolarHBondContact O-CG2 3.45Å; K242-V246 PolarHBondContact O-N 2.66Å; C243-V246 WeakPolarHBondContact O-CB 3.44Å; C243-V246 PolarHBondContact O-N 3.28Å; C243-V246 VanDerWaalsContact O-N 3.15Å; V246-E249 PolarHBondContact O-N 3Å; V246-S250 PolarHBondContact O-N 3.3Å; V246-S250 VanDerWaalsContact O-N 3.11Å
247V98.4Very high97.3Very high6 Ų663.2 Ų63.24%0.03629%0.293CS..Hα-helixtrans-62.9-47.3179.1171.50000111.8I185 C243 T244 K245 E249 S250 P253 N257I185-V247 HydrophobicContact CD1-CB 4.11Å; I185-V247 HydrophobicContact CD1-CG1 4.2Å; I185-V247 HydrophobicContact CD1-CG2 3.74Å; C243-V247 WeakPolarHBondContact O-CG2 3.32Å; C243-V247 PolarHBondContact O-N 2.75Å; T244-V247 PolarHBondContact O-N 2.67Å; K245-V247 VanDerWaalsContact C-N 3.31Å; K245-V247 PolarHBondContact O-N 2.72Å; V247-E249 VanDerWaalsContact C-N 3.26Å; V247-E249 PolarHBondContact O-N 2.64Å; V247-S250 WeakPolarHBondContact O-CB 3.45Å; V247-S250 PolarHBondContact O-N 3.25Å; V247-P253 HydrophobicContact CG1-CB 4.12Å; V247-P253 WeakPolarHBondContact O-CB 3.28Å; V247-N257 HydrophobicContact CG2-CB 4.12Å; V247-N257 WeakPolarHBondContact CG2-OD1 3.47Å
248I97.8Very high97.3Very high1 Ų165 Ų651%0.00530%0.301CS..Hα-helixtrans-70.9-21.4-17965.7172.4000113.7L26 Y34 I88 V140 T244 K245L26-I248 HydrophobicContact CD1-CD1 3.93Å; L26-I248 HydrophobicContact CD2-CD1 3.49Å; L26-I248 VanDerWaalsContact CD2-CD1 3.49Å; L26-I248 HydrophobicContact CG-CD1 4.38Å; Y34-I248 HydrophobicContact CE1-CD1 3.72Å; I88-I248 HydrophobicContact CD1-CB 4.05Å; I88-I248 HydrophobicContact CD1-CD1 4.17Å; I88-I248 HydrophobicContact CD1-CG2 4.35Å; I88-I248 HydrophobicContact CG2-CG2 4.07Å; V140-I248 HydrophobicContact CG2-CG2 3.82Å; T244-I248 PolarHBondContact O-N 3.48Å; K245-I248 WeakPolarHBondContact O-CG1 3.34Å; K245-I248 PolarHBondContact O-N 2.84Å
249E96.9Very high97.3Very high77 Ų7763.2 Ų63.236%0.3629%0.294SS..Hα-helixtrans-86.5-18.7177.4-72-175-153.300112.8R33 Y34 K245 V246 V247 E251R33-E249 IonicContact CZ-OE1 3.29Å; R33-E249 IonicContact CZ-OE2 3.15Å; R33-E249 IonicContact NH1-OE1 2.88Å; R33-E249 PolarHBondContact NH1-OE1 3.02Å; R33-E249 IonicContact NH1-OE2 2.68Å; R33-E249 PolarHBondContact NH1-OE2 3.47Å; R33-E249 IonicContact NH2-OE1 3.27Å; R33-E249 PolarHBondContact NH2-OE1 3.27Å; R33-E249 IonicContact NH2-OE2 2.96Å; R33-E249 PolarHBondContact NH2-OE2 2.94Å; Y34-E249 VanDerWaalsContact OH-CG 3.23Å; Y34-E249 WeakPolarHBondContact OH-CG 3.41Å; Y34-E249 PolarHBondContact OH-OE1 3.4Å; K245-E249 WeakPolarHBondContact CE-OE1 3.24Å; K245-E249 WeakPolarHBondContact CG-OE1 3.27Å; K245-E249 WeakPolarHBondContact O-CB 3.15Å; K245-E249 VanDerWaalsContact O-CG 3.27Å; K245-E249 WeakPolarHBondContact O-CG 3.44Å; K245-E249 PolarHBondContact O-N 2.65Å; K245-E249 VanDerWaalsContact O-N 3.12Å; V246-E249 PolarHBondContact O-N 3Å; V247-E249 VanDerWaalsContact C-N 3.26Å; V247-E249 PolarHBondContact O-N 2.64Å; E249-E251 PolarHBondContact O-N 3.45Å
250S97.6Very high97Very high45 Ų4561.6 Ų61.632%0.31529%0.286SS..  trans-62.9134.8178-177.10000111.7R181 V246 V247 R252R181-S250 PolarHBondContact NH1-O 3.19Å; V246-S250 PolarHBondContact O-N 3.3Å; V246-S250 VanDerWaalsContact O-N 3.11Å; V247-S250 WeakPolarHBondContact O-CB 3.45Å; V247-S250 PolarHBondContact O-N 3.25Å; S250-R252 PolarHBondContact O-N 3.48Å; S250-R252 VanDerWaalsContact OG-C 3.25Å; S250-R252 PolarHBondContact OG-N 3.13Å; S250-R252 PolarHBondContact OG-O 3.21Å
251E94.8Very high96.5Very high164 Ų16465.9 Ų65.977%0.76632%0.316SS*.SBendtrans-65.4-32.6172.6-66.7-172.3171.200111.8R181 E249R181-E251 PolarHBondContact NH1-O 3.02Å; R181-E251 PolarHBondContact NH2-O 3.44Å; E249-E251 PolarHBondContact O-N 3.45Å
252R94.3Very high95.9Very high221 Ų22169.9 Ų69.983%0.83434%0.336SS*.SBendtrans-131.473.3179.8-64.4-176.8-177.91731.2108.6S250S250-R252 PolarHBondContact O-N 3.48Å; S250-R252 VanDerWaalsContact OG-C 3.25Å; S250-R252 PolarHBondContact OG-N 3.13Å; S250-R252 PolarHBondContact OG-O 3.21Å
253P97.1Very high95.4Very high25 Ų2564.8 Ų64.816%0.16231%0.314CS..  trans-64.2141.7-176.728.6-34.7000110.2R181 V247R181-P253 HydrophobicContact CB-CG 4.1Å; R181-P253 HydrophobicContact CG-CG 4.19Å; V247-P253 HydrophobicContact CG1-CB 4.12Å; V247-P253 WeakPolarHBondContact O-CB 3.28Å
254R97.1Very high95Very high191 Ų19166.7 Ų66.772%0.72132%0.324SS*.  trans-69.8151175.7-61.7179.3-176.2167.53.1109.9S183 N257S183-R254 WeakPolarHBondContact CB-O 3.4Å; S183-R254 PolarHBondContact OG-O 3.37Å; R254-N257 PolarHBondContact O-ND2 2.99Å
255F98.2Very high94.5Very high50 Ų5070.8 Ų70.822%0.21935%0.351CS..SBendtrans-67.1-43.4173.6178-109.8000111.5C168 E169 A172 L182 S183 M184C168-F255 HydrophobicContact CB-CZ 4.43Å; E169-F255 VanDerWaalsContact CA-CZ 3.41Å; E169-F255 HydrophobicContact CB-CE1 3.98Å; E169-F255 HydrophobicContact CB-CZ 3.74Å; E169-F255 HydrophobicContact CG-CE1 4.14Å; E169-F255 HydrophobicContact CG-CZ 4.28Å; A172-F255 HydrophobicContact CB-CD2 3.91Å; A172-F255 HydrophobicContact CB-CE2 3.64Å; L182-F255 HydrophobicContact CD2-CD2 4.01Å; L182-F255 HydrophobicContact CD2-CE2 3.48Å; L182-F255 VanDerWaalsContact CD2-CE2 3.48Å; L182-F255 HydrophobicContact CD2-CZ 4.43Å; S183-F255 CarbonylContact C-O 3.58Å; S183-F255 WeakPolarHBondContact CA-O 3.46Å; M184-F255 WeakPolarHBondContact CB-O 3.41Å; M184-F255 HydrophobicContact CG-CE1 4.29Å; M184-F255 HydrophobicContact CG-CE2 4.19Å; M184-F255 HydrophobicContact CG-CZ 3.91Å; M184-F255 PolarHBondContact N-O 3.1Å
256R97.6Very high93.9Very high86 Ų8670.5 Ų70.533%0.32535%0.351SS..EExtended strand (participates in β ladder)trans-115.2140.8176.8-68.4-173.1172.496.33.7112.3E165 E169 E186E165-R256 IonicContact OE2-CZ 2.74Å; E165-R256 IonicContact OE2-NE 2.82Å; E165-R256 PolarHBondContact OE2-NE 3.38Å; E165-R256 IonicContact OE2-NH2 3.6Å; E165-R256 PolarHBondContact OE2-NH2 3.27Å; E169-R256 IonicContact OE2-CZ 3.5Å; E169-R256 IonicContact OE2-NH1 2.97Å; E169-R256 PolarHBondContact OE2-NH1 3.23Å; E169-R256 IonicContact OE2-NH2 3.69Å; E169-R256 PolarHBondContact OE2-NH2 3.41Å; E186-R256 WeakPolarHBondContact OE1-CB 3.33Å; E186-R256 WeakPolarHBondContact OE1-CD 3.48Å; E186-R256 WeakPolarHBondContact OE1-CG 3.3Å; E186-R256 IonicContact OE1-NE 3.22Å
257N97.6Very high93.5Very high23 Ų2366.3 Ų66.312%0.12333%0.326CS..EExtended strand (participates in β ladder)trans-141.183.5-176.9-54.3-88.3000109.9M184 I185 E186 V247 R254 T259M184-N257 WeakPolarHBondContact O-CB 3.49Å; M184-N257 PolarHBondContact O-N 2.92Å; M184-N257 PolarHBondContact O-ND2 3.47Å; I185-N257 HydrophobicContact CD1-CB 4.02Å; E186-N257 PolarHBondContact N-O 2.81Å; V247-N257 HydrophobicContact CG2-CB 4.12Å; V247-N257 WeakPolarHBondContact CG2-OD1 3.47Å; R254-N257 PolarHBondContact O-ND2 2.99Å; N257-T259 PolarHBondContact O-N 3.02Å
258L95.9Very high93.1Very high54 Ų5468.5 Ų68.528%0.28334%0.344SS..EExtended strand (participates in β ladder)trans-66116.1171.8-174.868.9000110.1V145 E186V145-L258 HydrophobicContact CG2-CD1 4.43Å; E186-L258 HydrophobicContact CB-CD1 4.22Å; E186-L258 PolarHBondContact OE2-N 3.24Å
259T95.5Very high92.7Very high23 Ų2370.5 Ų70.514%0.14136%0.355CS..SBendtrans-84.1-18.7-173.267.20000113.1I185 E186 P187 Q235 I240 C243 N257I185-T259 HydrophobicContact CG2-CG2 3.57Å; E186-T259 PolarHBondContact O-N 3.18Å; E186-T259 VanDerWaalsContact O-N 3.17Å; P187-T259 VanDerWaalsContact CA-OG1 3.31Å; P187-T259 WeakPolarHBondContact CA-OG1 3.4Å; Q235-T259 PolarHBondContact NE2-O 3.13Å; Q235-T259 PolarHBondContact OE1-O 2.98Å; Q235-T259 PolarHBondContact OE1-OG1 2.63Å; I240-T259 HydrophobicContact CD1-CG2 3.96Å; I240-T259 WeakPolarHBondContact CD1-OG1 3.37Å; C243-T259 HydrophobicContact CB-CG2 4.21Å; N257-T259 PolarHBondContact O-N 3.02Å
260N91.4Very high92.3Very high13 Ų1369.8 Ų69.87%0.0735%0.351CS..  trans-119.7102.5178.6-166.3-21.2000110.3M233 L262 Y263M233-N260 PolarHBondContact O-ND2 2.84Å; N260-L262 PolarHBondContact O-N 2.88Å; N260-L262 VanDerWaalsContact O-N 3.15Å; N260-L262 VanDerWaalsContact OD1-CB 3.28Å; N260-L262 WeakPolarHBondContact OD1-CB 3.26Å; N260-L262 WeakPolarHBondContact OD1-CG 3.33Å; N260-L262 PolarHBondContact OD1-N 3.2Å; N260-L262 VanDerWaalsContact OD1-N 3.12Å; N260-Y263 HydrophobicContact CB-CD2 4.15Å; N260-Y263 PolarHBondContact O-N 3.23Å
261S87.2Confident91.9Very high90 Ų9074.7 Ų74.763%0.62936%0.363SS*.G310 helixtrans-64.2-18.9-178.2560000113.6Y263 T264S261-Y263 PolarHBondContact O-N 3.03Å; S261-T264 VanDerWaalsContact O-CB 3.27Å; S261-T264 WeakPolarHBondContact O-CB 3.47Å; S261-T264 PolarHBondContact O-N 3.39Å; S261-T264 PolarHBondContact O-OG1 3.32Å
262L86.7Confident91.8Very high84 Ų8470.6 Ų70.644%0.4436%0.357SS..G310 helixtrans-64.4-20.6177-59.4174.5000112.7M233 N260 P265M233-L262 HydrophobicContact CB-CD1 4.48Å; M233-L262 HydrophobicContact CE-CB 3.4Å; M233-L262 HydrophobicContact CE-CD1 3.94Å; M233-L262 HydrophobicContact CE-CG 4.32Å; M233-L262 HydrophobicContact CG-CD1 4.26Å; N260-L262 PolarHBondContact O-N 2.88Å; N260-L262 VanDerWaalsContact O-N 3.15Å; N260-L262 VanDerWaalsContact OD1-CB 3.28Å; N260-L262 WeakPolarHBondContact OD1-CB 3.26Å; N260-L262 WeakPolarHBondContact OD1-CG 3.33Å; N260-L262 PolarHBondContact OD1-N 3.2Å; N260-L262 VanDerWaalsContact OD1-N 3.12Å; L262-P265 WeakPolarHBondContact O-CD 3.36Å
263Y87.3Confident91.8Very high21 Ų2161.8 Ų61.88%0.08233%0.327CS..G310 helixtrans-84.5-9.4175.3-82.9-94.4000113.6V145 P189 I229 M233 N260 S261 I266 V267V145-Y263 HydrophobicContact CB-CD1 4.21Å; V145-Y263 HydrophobicContact CB-CG 4.49Å; V145-Y263 HydrophobicContact CG1-CD1 3.95Å; V145-Y263 HydrophobicContact CG1-CE1 3.86Å; V145-Y263 HydrophobicContact CG1-CG 4.5Å; V145-Y263 HydrophobicContact CG2-CD1 3.48Å; V145-Y263 VanDerWaalsContact CG2-CD1 3.48Å; V145-Y263 HydrophobicContact CG2-CE1 4.24Å; V145-Y263 HydrophobicContact CG2-CG 3.86Å; P189-Y263 WeakPolarHBondContact CD-OH 3.42Å; P189-Y263 HydrophobicContact CG-CE2 4.12Å; P189-Y263 VanDerWaalsContact CG-OH 3.24Å; P189-Y263 WeakPolarHBondContact CG-OH 3.49Å; I229-Y263 WeakPolarHBondContact CG2-OH 3.43Å; M233-Y263 HydrophobicContact CE-CD2 3.9Å; M233-Y263 HydrophobicContact CE-CE2 3.58Å; M233-Y263 HydrophobicContact SD-CE2 4.41Å; N260-Y263 HydrophobicContact CB-CD2 4.15Å; N260-Y263 PolarHBondContact O-N 3.23Å; S261-Y263 PolarHBondContact O-N 3.03Å; Y263-I266 HydrophobicContact CD1-CG2 4.4Å; Y263-I266 PolarHBondContact O-N 3.28Å; Y263-V267 WeakPolarHBondContact O-CG2 3.49Å; Y263-V267 PolarHBondContact O-N 3.03Å
264T88.9Confident91.6Very high75 Ų7570.1 Ų70.146%0.4636%0.364SS..Hα-helixtrans-55-49.2-178.3-50.70000113.2S261 I266 V267 A268S261-T264 VanDerWaalsContact O-CB 3.27Å; S261-T264 WeakPolarHBondContact O-CB 3.47Å; S261-T264 PolarHBondContact O-N 3.39Å; S261-T264 PolarHBondContact O-OG1 3.32Å; T264-I266 VanDerWaalsContact C-N 3.31Å; T264-I266 PolarHBondContact O-N 2.8Å; T264-V267 PolarHBondContact O-N 3.41Å; T264-A268 WeakPolarHBondContact O-CB 3.39Å; T264-A268 PolarHBondContact O-N 3.03Å
265P88.6Confident91.5Very high85 Ų8566.8 Ų66.855%0.55236%0.364SS*.Hα-helixtrans-62.9-41.8-178.8-21.234.3000111.8L262 A268 L269L262-P265 WeakPolarHBondContact O-CD 3.36Å; P265-A268 WeakPolarHBondContact O-CB 3.28Å; P265-A268 PolarHBondContact O-N 3.36Å; P265-L269 WeakPolarHBondContact O-CG 3.33Å; P265-L269 PolarHBondContact O-N 3.44Å; P265-L269 VanDerWaalsContact O-N 3.11Å
266I85.1Confident91.2Very high42 Ų4265.4 Ų65.422%0.21536%0.364CS..Hα-helixtrans-62.6-45.9-179.5-80.4174000111Y263 T264 A268 L269 F283Y263-I266 HydrophobicContact CD1-CG2 4.4Å; Y263-I266 PolarHBondContact O-N 3.28Å; T264-I266 VanDerWaalsContact C-N 3.31Å; T264-I266 PolarHBondContact O-N 2.8Å; I266-A268 VanDerWaalsContact C-N 3.32Å; I266-A268 PolarHBondContact O-N 3.46Å; I266-L269 PolarHBondContact O-N 2.89Å; I266-F283 HydrophobicContact CG2-CE1 4.39Å; I266-F283 HydrophobicContact CG2-CE2 4.06Å; I266-F283 HydrophobicContact CG2-CZ 3.42Å; I266-F283 VanDerWaalsContact CG2-CZ 3.42Å
267V89.3Confident91Very high17 Ų1762.3 Ų62.310%0.10336%0.359CS..Hα-helixtrans-65.5-36174.6173.90000111.3V145 L148 Y263 T264 L269 K270 Y271V145-V267 HydrophobicContact CG2-CG2 3.79Å; L148-V267 HydrophobicContact CB-CG1 4.16Å; L148-V267 HydrophobicContact CB-CG2 4.25Å; L148-V267 HydrophobicContact CD1-CG1 4.17Å; L148-V267 HydrophobicContact CD1-CG2 4.23Å; Y263-V267 WeakPolarHBondContact O-CG2 3.49Å; Y263-V267 PolarHBondContact O-N 3.03Å; T264-V267 PolarHBondContact O-N 3.41Å; V267-L269 VanDerWaalsContact C-N 3.32Å; V267-L269 PolarHBondContact O-N 3.41Å; V267-K270 WeakPolarHBondContact O-CB 3.47Å; V267-K270 PolarHBondContact O-N 3.25Å; V267-Y271 HydrophobicContact CG1-CD2 4.46Å; V267-Y271 HydrophobicContact CG1-CE2 4Å; V267-Y271 WeakPolarHBondContact O-CD2 3.42Å
268A90.8Very high90.7Very high51 Ų5164.6 Ų64.642%0.42137%0.371SS..Hα-helixtrans-65.1-32.9179.200000112.9T264 P265 I266 K270 Y271 A272T264-A268 WeakPolarHBondContact O-CB 3.39Å; T264-A268 PolarHBondContact O-N 3.03Å; P265-A268 WeakPolarHBondContact O-CB 3.28Å; P265-A268 PolarHBondContact O-N 3.36Å; I266-A268 VanDerWaalsContact C-N 3.32Å; I266-A268 PolarHBondContact O-N 3.46Å; A268-K270 PolarHBondContact O-N 2.89Å; A268-Y271 PolarHBondContact O-N 3.16Å; A268-A272 WeakPolarHBondContact O-CB 3.31Å; A268-A272 PolarHBondContact O-N 3.02Å
269L89.2Confident90.5Very high44 Ų4463 Ų6323%0.2336%0.364CS..Hα-helixtrans-56.2-37.3177.5-67174.8000112.4P265 I266 V267 Y271 A272 D273 L278 T282P265-L269 WeakPolarHBondContact O-CG 3.33Å; P265-L269 PolarHBondContact O-N 3.44Å; P265-L269 VanDerWaalsContact O-N 3.11Å; I266-L269 PolarHBondContact O-N 2.89Å; V267-L269 VanDerWaalsContact C-N 3.32Å; V267-L269 PolarHBondContact O-N 3.41Å; L269-Y271 VanDerWaalsContact C-N 3.3Å; L269-Y271 PolarHBondContact O-N 3.38Å; L269-A272 PolarHBondContact O-N 3.15Å; L269-D273 PolarHBondContact O-N 3.45Å; L269-L278 HydrophobicContact CB-CD2 4.42Å; L269-L278 HydrophobicContact CB-CG 4.41Å; L269-L278 HydrophobicContact CD2-CD1 4.44Å; L269-L278 HydrophobicContact CD2-CD2 3.74Å; L269-L278 HydrophobicContact CD2-CG 3.98Å; L269-T282 HydrophobicContact CD1-CG2 3.81Å
270K88.6Confident90.3Very high62 Ų6266.3 Ų66.327%0.2739%0.385SS..Hα-helixtrans-63-35.9178.3179-179.3167.8-174.10112.7L148 F162 V267 A268L148-K270 WeakPolarHBondContact O-CD 3.32Å; L148-K270 PolarHBondContact O-NZ 2.93Å; F162-K270 VanDerWaalsContact CZ-NZ 3.3Å; V267-K270 WeakPolarHBondContact O-CB 3.47Å; V267-K270 PolarHBondContact O-N 3.25Å; A268-K270 PolarHBondContact O-N 2.89Å
271Y89.8Confident90.4Very high147 Ų14770.1 Ų70.158%0.57641%0.405SS*.Hα-helixtrans-90.5-17.8-179.5-63.2-73000112.8V267 A268 L269 D273V267-Y271 HydrophobicContact CG1-CD2 4.46Å; V267-Y271 HydrophobicContact CG1-CE2 4Å; V267-Y271 WeakPolarHBondContact O-CD2 3.42Å; A268-Y271 PolarHBondContact O-N 3.16Å; L269-Y271 VanDerWaalsContact C-N 3.3Å; L269-Y271 PolarHBondContact O-N 3.38Å; Y271-D273 VanDerWaalsContact C-N 3.32Å
272A92.8Very high90.6Very high78 Ų7867.8 Ų67.865%0.64539%0.387SS*.Hα-helixtrans-75.9-20.1177.900000113.2A268 L269 L278A268-A272 WeakPolarHBondContact O-CB 3.31Å; A268-A272 PolarHBondContact O-N 3.02Å; L269-A272 PolarHBondContact O-N 3.15Å; A272-L278 HydrophobicContact CB-CD2 4.26Å
273D92.6Very high90.7Very high36 Ų3666.6 Ų66.619%0.19338%0.378CS..  trans-134.2107178.6173.621.6000110.9L269 Y271 T275 G276 G277 L278L269-D273 PolarHBondContact O-N 3.45Å; Y271-D273 VanDerWaalsContact C-N 3.32Å; D273-T275 PolarHBondContact O-N 2.97Å; D273-T275 WeakPolarHBondContact OD1-CB 3.45Å; D273-T275 PolarHBondContact OD1-N 3.44Å; D273-T275 PolarHBondContact OD1-OG1 3.42Å; D273-T275 PolarHBondContact OD2-OG1 3.14Å; D273-G276 PolarHBondContact O-N 3.44Å; D273-G277 WeakPolarHBondContact OD2-CA 3.48Å; D273-G277 PolarHBondContact OD2-N 2.88Å; D273-L278 HydrophobicContact CB-CB 3.55Å; D273-L278 HydrophobicContact CB-CD2 4.17Å; D273-L278 WeakPolarHBondContact OD2-CB 3.33Å; D273-L278 PolarHBondContact OD2-N 2.84Å
274E92.6Very high91Very high201 Ų20171.3 Ų71.394%0.93940%0.397SS*.THydrogen-bonded Turntrans-64.2-20.9-179.7-61.7-177.617300113.3G276E274-G276 PolarHBondContact O-N 3.22Å
275T95.3Very high91.1Very high120 Ų12070.2 Ų70.274%0.73639%0.388SS*.THydrogen-bonded Turntrans-75.6-17.5176.275.60000112.3D273 G277D273-T275 PolarHBondContact O-N 2.97Å; D273-T275 WeakPolarHBondContact OD1-CB 3.45Å; D273-T275 PolarHBondContact OD1-N 3.44Å; D273-T275 PolarHBondContact OD1-OG1 3.42Å; D273-T275 PolarHBondContact OD2-OG1 3.14Å; T275-G277 PolarHBondContact O-N 2.91Å; T275-G277 PolarHBondContact OG1-N 2.8Å
276G92.8Very high91.1Very high21 Ų2168.8 Ų68.822%0.21638%0.375CS..SBendtrans77.1-8.5-174.300000114.5D273 E274 L278 S279 V280D273-G276 PolarHBondContact O-N 3.44Å; E274-G276 PolarHBondContact O-N 3.22Å; G276-L278 PolarHBondContact O-N 3.34Å; G276-S279 PolarHBondContact O-N 2.92Å; G276-S279 PolarHBondContact O-OG 2.7Å; G276-V280 WeakPolarHBondContact O-CG2 3.49Å; G276-V280 PolarHBondContact O-N 2.87Å
277G93.1Very high91.2Very high21 Ų2167.7 Ų67.722%0.21637%0.37CS..Hα-helixtrans-58.3-42.7-176.200000113.2D273 T275 S279 V280 N281D273-G277 WeakPolarHBondContact OD2-CA 3.48Å; D273-G277 PolarHBondContact OD2-N 2.88Å; T275-G277 PolarHBondContact O-N 2.91Å; T275-G277 PolarHBondContact OG1-N 2.8Å; G277-S279 PolarHBondContact O-N 2.91Å; G277-V280 PolarHBondContact O-N 3.27Å; G277-N281 WeakPolarHBondContact O-CB 3.43Å; G277-N281 PolarHBondContact O-N 3.32Å; G277-N281 PolarHBondContact O-ND2 2.87Å
278L91.4Very high91.2Very high71 Ų7169.9 Ų69.937%0.37238%0.378SS..Hα-helixtrans-59.2-47.4178.3-178.760.4000111.1L269 A272 D273 G276 T282L269-L278 HydrophobicContact CB-CD2 4.42Å; L269-L278 HydrophobicContact CB-CG 4.41Å; L269-L278 HydrophobicContact CD2-CD1 4.44Å; L269-L278 HydrophobicContact CD2-CD2 3.74Å; L269-L278 HydrophobicContact CD2-CG 3.98Å; A272-L278 HydrophobicContact CB-CD2 4.26Å; D273-L278 HydrophobicContact CB-CB 3.55Å; D273-L278 HydrophobicContact CB-CD2 4.17Å; D273-L278 WeakPolarHBondContact OD2-CB 3.33Å; D273-L278 PolarHBondContact OD2-N 2.84Å; G276-L278 PolarHBondContact O-N 3.34Å; L278-T282 WeakPolarHBondContact O-CB 3.31Å; L278-T282 PolarHBondContact O-N 2.8Å; L278-T282 PolarHBondContact O-OG1 3.35Å
279S90.8Very high91.1Very high20 Ų2071.7 Ų71.714%0.1438%0.381CS..Hα-helixtrans-64.9-53.3179.9710000111.1G276 G277 N281 T282 F283G276-S279 PolarHBondContact O-N 2.92Å; G276-S279 PolarHBondContact O-OG 2.7Å; G277-S279 PolarHBondContact O-N 2.91Å; S279-N281 PolarHBondContact O-N 3.13Å; S279-T282 PolarHBondContact O-N 2.94Å; S279-F283 VanDerWaalsContact O-CD2 3.24Å; S279-F283 WeakPolarHBondContact O-CD2 3.49Å; S279-F283 PolarHBondContact O-N 3.41Å; S279-F283 VanDerWaalsContact O-N 3.1Å
280V93.1Very high91Very high94 Ų9474.5 Ų74.557%0.5739%0.391SS*.Hα-helixtrans-61.8-48.9-177.3174.90000111.3G276 G277 T282 F283 Y284G276-V280 WeakPolarHBondContact O-CG2 3.49Å; G276-V280 PolarHBondContact O-N 2.87Å; G277-V280 PolarHBondContact O-N 3.27Å; V280-T282 VanDerWaalsContact C-N 3.34Å; V280-T282 PolarHBondContact O-N 2.8Å; V280-F283 PolarHBondContact O-N 3.42Å; V280-Y284 WeakPolarHBondContact O-CB 3.22Å; V280-Y284 PolarHBondContact O-N 2.98Å
281N92.9Very high90.7Very high93 Ų9372.4 Ų72.450%0.49739%0.387SS..Hα-helixtrans-66.2-36.8-179.6-68.7-35.5000111.7G277 S279 Y284 N285G277-N281 WeakPolarHBondContact O-CB 3.43Å; G277-N281 PolarHBondContact O-N 3.32Å; G277-N281 PolarHBondContact O-ND2 2.87Å; S279-N281 PolarHBondContact O-N 3.13Å; N281-Y284 PolarHBondContact O-N 3.1Å; N281-N285 VanDerWaalsContact O-CB 3.31Å; N281-N285 WeakPolarHBondContact O-CB 3.37Å; N281-N285 PolarHBondContact O-N 3.47Å; N281-N285 PolarHBondContact O-ND2 3.37Å
282T90.7Very high90.4Very high40 Ų4070.2 Ų70.225%0.24539%0.391CS..Hα-helixtrans-61.8-48.7176.8-62.40000110.5L269 L278 S279 V280 N285 L286L269-T282 HydrophobicContact CD1-CG2 3.81Å; L278-T282 WeakPolarHBondContact O-CB 3.31Å; L278-T282 PolarHBondContact O-N 2.8Å; L278-T282 PolarHBondContact O-OG1 3.35Å; S279-T282 PolarHBondContact O-N 2.94Å; V280-T282 VanDerWaalsContact C-N 3.34Å; V280-T282 PolarHBondContact O-N 2.8Å; T282-N285 PolarHBondContact O-N 3.48Å; T282-L286 HydrophobicContact CG2-CD1 3.8Å; T282-L286 HydrophobicContact CG2-CG 4.24Å; T282-L286 WeakPolarHBondContact O-CB 3.23Å; T282-L286 VanDerWaalsContact O-CG 3.25Å; T282-L286 WeakPolarHBondContact O-CG 3.27Å; T282-L286 PolarHBondContact O-N 2.64Å
283F88.9Confident90.1Very high60 Ų6071.2 Ų71.226%0.26339%0.385SS..Hα-helixtrans-65-41.8178.4-82.5-73000113.1Q149 I266 S279 V280 N285 L286 L287Q149-F283 VanDerWaalsContact OE1-CZ 3.28Å; I266-F283 HydrophobicContact CG2-CE1 4.39Å; I266-F283 HydrophobicContact CG2-CE2 4.06Å; I266-F283 HydrophobicContact CG2-CZ 3.42Å; I266-F283 VanDerWaalsContact CG2-CZ 3.42Å; S279-F283 VanDerWaalsContact O-CD2 3.24Å; S279-F283 WeakPolarHBondContact O-CD2 3.49Å; S279-F283 PolarHBondContact O-N 3.41Å; S279-F283 VanDerWaalsContact O-N 3.1Å; V280-F283 PolarHBondContact O-N 3.42Å; F283-N285 VanDerWaalsContact C-N 3.35Å; F283-N285 PolarHBondContact O-N 2.87Å; F283-L286 PolarHBondContact O-N 3.41Å; F283-L287 WeakPolarHBondContact O-CB 3.42Å; F283-L287 PolarHBondContact O-N 3.41Å
284Y93Very high89.6Confident119 Ų11970.9 Ų70.947%0.46738%0.383SS..Hα-helixtrans-56.7-50.1173.6174.5-91.8000111V280 N281 L287 F288V280-Y284 WeakPolarHBondContact O-CB 3.22Å; V280-Y284 PolarHBondContact O-N 2.98Å; N281-Y284 PolarHBondContact O-N 3.1Å; Y284-L287 PolarHBondContact O-N 2.9Å; Y284-F288 AromaticContact CD2-CD2 3.54Å; Y284-F288 HydrophobicContact CD2-CD2 3.54Å; Y284-F288 HydrophobicContact CD2-CE2 4.1Å; Y284-F288 HydrophobicContact CD2-CG 4.42Å; Y284-F288 HydrophobicContact CE2-CB 4.33Å; Y284-F288 AromaticContact CE2-CD2 3.75Å; Y284-F288 HydrophobicContact CE2-CD2 3.75Å; Y284-F288 HydrophobicContact CE2-CE2 4.43Å; Y284-F288 HydrophobicContact CE2-CG 4.25Å; Y284-F288 HydrophobicContact CG-CD2 4.2Å; Y284-F288 WeakPolarHBondContact O-CB 3.46Å; Y284-F288 WeakPolarHBondContact O-CD2 3.32Å; Y284-F288 PolarHBondContact O-N 2.95Å
285N91.9Very high89.1Confident53 Ų5365.8 Ų65.828%0.28336%0.358SS..Iπ-helixtrans-66.4-43.2-178.7-79.9-70.4000112N281 T282 F283 L287 N289 F290N281-N285 VanDerWaalsContact O-CB 3.31Å; N281-N285 WeakPolarHBondContact O-CB 3.37Å; N281-N285 PolarHBondContact O-N 3.47Å; N281-N285 PolarHBondContact O-ND2 3.37Å; T282-N285 PolarHBondContact O-N 3.48Å; F283-N285 VanDerWaalsContact C-N 3.35Å; F283-N285 PolarHBondContact O-N 2.87Å; N285-L287 VanDerWaalsContact C-N 3.29Å; N285-L287 PolarHBondContact O-N 3.23Å; N285-N289 CarbonylContact O-C 3.59Å; N285-N289 WeakPolarHBondContact O-CA 3.12Å; N285-N289 PolarHBondContact O-N 2.95Å; N285-N289 PolarHBondContact OD1-ND2 2.87Å; N285-F290 HydrophobicContact CB-CD2 3.93Å; N285-F290 HydrophobicContact CB-CE2 3.94Å; N285-F290 WeakPolarHBondContact O-CD2 3.46Å; N285-F290 PolarHBondContact O-N 3.3Å
286L88.1Confident88.6Confident54 Ų5464.5 Ų64.528%0.28335%0.346SS..Iπ-helixtrans-58.3-43.5176.9-75.3173.2000111.3T282 F283 F290 G291 M294T282-L286 HydrophobicContact CG2-CD1 3.8Å; T282-L286 HydrophobicContact CG2-CG 4.24Å; T282-L286 WeakPolarHBondContact O-CB 3.23Å; T282-L286 VanDerWaalsContact O-CG 3.25Å; T282-L286 WeakPolarHBondContact O-CG 3.27Å; T282-L286 PolarHBondContact O-N 2.64Å; F283-L286 PolarHBondContact O-N 3.41Å; L286-F290 CarbonylContact O-C 3.56Å; L286-G291 PolarHBondContact O-N 3.09Å; L286-M294 HydrophobicContact CB-CE 4.29Å; L286-M294 HydrophobicContact CB-CG 4.27Å; L286-M294 HydrophobicContact CB-SD 4.19Å; L286-M294 HydrophobicContact CD2-CG 4Å; L286-M294 HydrophobicContact CD2-SD 4.09Å; L286-M294 WeakPolarHBondContact O-CG 3.37Å
287L87.5Confident88.2Confident19 Ų1966.3 Ų66.310%0.09935%0.353CS..Iπ-helixtrans-79.8-47.7-175.4-169.262.6000112.9V152 V221 Y222 S225 F283 Y284 N285V152-L287 HydrophobicContact CG1-CD2 3.54Å; V221-L287 HydrophobicContact CG1-CD1 3.95Å; V221-L287 HydrophobicContact CG1-CG 3.84Å; V221-L287 WeakPolarHBondContact CG1-O 3.34Å; Y222-L287 HydrophobicContact CD2-CD2 4.38Å; S225-L287 WeakPolarHBondContact OG-CD1 3.38Å; F283-L287 WeakPolarHBondContact O-CB 3.42Å; F283-L287 PolarHBondContact O-N 3.41Å; Y284-L287 PolarHBondContact O-N 2.9Å; N285-L287 VanDerWaalsContact C-N 3.29Å; N285-L287 PolarHBondContact O-N 3.23Å
288F88.8Confident87.9Confident64 Ų6466.2 Ų66.228%0.28135%0.347SS..Iπ-helixtrans-101.1-31.3-168.3-63.2-71.7000114.5Y217 V221 Y284Y217-F288 HydrophobicContact CD1-CD1 4.14Å; Y217-F288 AromaticContact CD1-CE1 3.7Å; Y217-F288 HydrophobicContact CD1-CE1 3.7Å; Y217-F288 HydrophobicContact CE1-CD1 4.45Å; Y217-F288 HydrophobicContact CE1-CE1 4.36Å; Y217-F288 AromaticContact CG-CE1 3.84Å; Y217-F288 HydrophobicContact CG-CE1 3.84Å; V221-F288 HydrophobicContact CB-CE1 4.45Å; V221-F288 HydrophobicContact CG1-CD1 4.08Å; V221-F288 HydrophobicContact CG1-CE1 4.15Å; Y284-F288 AromaticContact CD2-CD2 3.54Å; Y284-F288 HydrophobicContact CD2-CD2 3.54Å; Y284-F288 HydrophobicContact CD2-CE2 4.1Å; Y284-F288 HydrophobicContact CD2-CG 4.42Å; Y284-F288 HydrophobicContact CE2-CB 4.33Å; Y284-F288 AromaticContact CE2-CD2 3.75Å; Y284-F288 HydrophobicContact CE2-CD2 3.75Å; Y284-F288 HydrophobicContact CE2-CE2 4.43Å; Y284-F288 HydrophobicContact CE2-CG 4.25Å; Y284-F288 HydrophobicContact CG-CD2 4.2Å; Y284-F288 WeakPolarHBondContact O-CB 3.46Å; Y284-F288 WeakPolarHBondContact O-CD2 3.32Å; Y284-F288 PolarHBondContact O-N 2.95Å
289N88.7Confident87.4Confident88 Ų8865 Ų6547%0.47135%0.345SS..Iπ-helixtrans-101.2-30.4-176.2-68.1-20.9000112.8N285N285-N289 CarbonylContact O-C 3.59Å; N285-N289 WeakPolarHBondContact O-CA 3.12Å; N285-N289 PolarHBondContact O-N 2.95Å; N285-N289 PolarHBondContact OD1-ND2 2.87Å
290F87.9Confident87.1Confident104 Ų10468.5 Ų68.546%0.45636%0.361SS..SBendtrans-117.419.2-176.8-60-59.3000113.1N285 L286 L293 M294N285-F290 HydrophobicContact CB-CD2 3.93Å; N285-F290 HydrophobicContact CB-CE2 3.94Å; N285-F290 WeakPolarHBondContact O-CD2 3.46Å; N285-F290 PolarHBondContact O-N 3.3Å; L286-F290 CarbonylContact O-C 3.56Å; F290-L293 HydrophobicContact CB-CB 4.36Å; F290-L293 CarbonylContact O-C 3.57Å; F290-L293 WeakPolarHBondContact O-CA 3.46Å; F290-L293 WeakPolarHBondContact O-CB 3.44Å; F290-L293 PolarHBondContact O-N 2.89Å; F290-M294 PolarHBondContact O-N 2.89Å
291G81.6Confident86.5Confident18 Ų1866.4 Ų66.419%0.18635%0.346CS..Hα-helixtrans-47.5-50179.400000114.3L286 L293 M294 H295L286-G291 PolarHBondContact O-N 3.09Å; G291-L293 VanDerWaalsContact C-N 3.34Å; G291-L293 PolarHBondContact O-N 3.44Å; G291-M294 WeakPolarHBondContact O-CB 3.33Å; G291-M294 PolarHBondContact O-N 3.33Å; G291-H295 PolarHBondContact O-N 3.42Å
292P84.9Confident85.8Confident100 Ų10065.7 Ų65.765%0.64934%0.339SS*.Hα-helixtrans-61.2-38.5176.4-25.535.1000113.8H295 I296P292-H295 PolarHBondContact O-N 2.9Å; P292-I296 VanDerWaalsContact O-CG1 3.3Å; P292-I296 WeakPolarHBondContact O-CG1 3.28Å; P292-I296 PolarHBondContact O-N 3.35Å
293L84.8Confident85.2Confident99 Ų9967.8 Ų67.852%0.51835%0.354SS..Hα-helixtrans-69-39.7177.1-179.864.8000111F290 G291 I296 T297F290-L293 HydrophobicContact CB-CB 4.36Å; F290-L293 CarbonylContact O-C 3.57Å; F290-L293 WeakPolarHBondContact O-CA 3.46Å; F290-L293 WeakPolarHBondContact O-CB 3.44Å; F290-L293 PolarHBondContact O-N 2.89Å; G291-L293 VanDerWaalsContact C-N 3.34Å; G291-L293 PolarHBondContact O-N 3.44Å; L293-I296 PolarHBondContact O-N 3.44Å; L293-T297 WeakPolarHBondContact O-CB 3.37Å; L293-T297 PolarHBondContact O-N 2.88Å; L293-T297 PolarHBondContact O-OG1 2.99Å
294M82.9Confident84.5Confident30 Ų3070 Ų7015%0.14837%0.368CS..Hα-helixtrans-58.7-48.4172.5-93.7-104.7-69.500111I229 L286 F290 G291 I296 T297 M298I229-M294 HydrophobicContact CD1-CE 4.43Å; L286-M294 HydrophobicContact CB-CE 4.29Å; L286-M294 HydrophobicContact CB-CG 4.27Å; L286-M294 HydrophobicContact CB-SD 4.19Å; L286-M294 HydrophobicContact CD2-CG 4Å; L286-M294 HydrophobicContact CD2-SD 4.09Å; L286-M294 WeakPolarHBondContact O-CG 3.37Å; F290-M294 PolarHBondContact O-N 2.89Å; G291-M294 WeakPolarHBondContact O-CB 3.33Å; G291-M294 PolarHBondContact O-N 3.33Å; M294-I296 PolarHBondContact O-N 3.16Å; M294-T297 PolarHBondContact O-N 3.27Å; M294-T297 VanDerWaalsContact O-N 3.14Å; M294-M298 WeakPolarHBondContact O-CB 3.44Å; M294-M298 WeakPolarHBondContact O-CG 3.27Å; M294-M298 PolarHBondContact O-N 3.01Å
295H82.3Confident83.3Confident93 Ų9367 Ų6743%0.43136%0.362SS..Hα-helixtrans-58.3-45.8177.4-177.367.2000112.4D228 G291 P292 T297 M298 S299D228-H295 IonicContact OD1-CE1 3.43Å; D228-H295 IonicContact OD1-ND1 3.22Å; D228-H295 PolarHBondContact OD1-ND1 3.03Å; D228-H295 IonicContact OD2-CE1 2.71Å; D228-H295 IonicContact OD2-CG 3.65Å; D228-H295 IonicContact OD2-ND1 3.65Å; D228-H295 PolarHBondContact OD2-ND1 3.06Å; G291-H295 PolarHBondContact O-N 3.42Å; P292-H295 PolarHBondContact O-N 2.9Å; H295-T297 VanDerWaalsContact C-N 3.35Å; H295-T297 PolarHBondContact O-N 2.74Å; H295-M298 PolarHBondContact O-N 3.45Å; H295-S299 WeakPolarHBondContact O-CB 3.39Å; H295-S299 PolarHBondContact O-N 2.81Å; H295-S299 PolarHBondContact O-OG 2.82Å
296I84.2Confident81.7Confident94 Ų9467.4 Ų67.448%0.48237%0.368SS..Hα-helixtrans-61.5-44.9175.4-67.8165.5000110.6P292 L293 M294 S299 I300P292-I296 VanDerWaalsContact O-CG1 3.3Å; P292-I296 WeakPolarHBondContact O-CG1 3.28Å; P292-I296 PolarHBondContact O-N 3.35Å; L293-I296 PolarHBondContact O-N 3.44Å; M294-I296 PolarHBondContact O-N 3.16Å; I296-S299 WeakPolarHBondContact O-CB 3.37Å; I296-S299 PolarHBondContact O-N 3.33Å; I296-I300 HydrophobicContact CG2-CD1 3.87Å; I296-I300 WeakPolarHBondContact O-CG1 3.33Å; I296-I300 PolarHBondContact O-N 3.22Å
297T84.8Confident80Confident59 Ų5970.1 Ų70.136%0.36239%0.392SS..Hα-helixtrans-64.6-43.6-178.9-55.20000111.2L293 M294 H295 S299 I300 L301L293-T297 WeakPolarHBondContact O-CB 3.37Å; L293-T297 PolarHBondContact O-N 2.88Å; L293-T297 PolarHBondContact O-OG1 2.99Å; M294-T297 PolarHBondContact O-N 3.27Å; M294-T297 VanDerWaalsContact O-N 3.14Å; H295-T297 VanDerWaalsContact C-N 3.35Å; H295-T297 PolarHBondContact O-N 2.74Å; T297-S299 VanDerWaalsContact C-N 3.35Å; T297-I300 PolarHBondContact O-N 3.43Å; T297-L301 HydrophobicContact CG2-CD1 4.05Å; T297-L301 WeakPolarHBondContact O-CB 3.23Å; T297-L301 PolarHBondContact O-N 3.3Å
298M85.8Confident78.3Confident19 Ų1975.3 Ų75.39%0.09443%0.429CS..Hα-helixtrans-64.7-39.1175.2-69-53.2109.700111.5D228 I229 A232 M233 M294 H295 L301 K302D228-M298 HydrophobicContact CB-CB 3.95Å; D228-M298 HydrophobicContact CB-CG 4.09Å; I229-M298 HydrophobicContact CG1-SD 4.36Å; A232-M298 HydrophobicContact CB-CB 4.1Å; A232-M298 HydrophobicContact CB-CG 4.47Å; A232-M298 HydrophobicContact CB-SD 3.8Å; M233-M298 HydrophobicContact CG-SD 4.43Å; M233-M298 HydrophobicContact SD-SD 4.27Å; M294-M298 WeakPolarHBondContact O-CB 3.44Å; M294-M298 WeakPolarHBondContact O-CG 3.27Å; M294-M298 PolarHBondContact O-N 3.01Å; H295-M298 PolarHBondContact O-N 3.45Å; M298-L301 HydrophobicContact CE-CD1 3.48Å; M298-L301 VanDerWaalsContact CE-CD1 3.48Å; M298-L301 PolarHBondContact O-N 3.06Å; M298-L301 HydrophobicContact SD-CD1 4.15Å; M298-K302 VanDerWaalsContact O-CB 3.31Å; M298-K302 WeakPolarHBondContact O-CB 3.49Å; M298-K302 PolarHBondContact O-N 3.38Å
299S81.6Confident76.1Confident46 Ų4677.8 Ų77.832%0.32244%0.444SS..Hα-helixtrans-62.2-43.7174.5-64.50000112.1H295 I296 T297 K302 C303H295-S299 WeakPolarHBondContact O-CB 3.39Å; H295-S299 PolarHBondContact O-N 2.81Å; H295-S299 PolarHBondContact O-OG 2.82Å; I296-S299 WeakPolarHBondContact O-CB 3.37Å; I296-S299 PolarHBondContact O-N 3.33Å; T297-S299 VanDerWaalsContact C-N 3.35Å; S299-K302 PolarHBondContact O-N 3.41Å; S299-C303 PolarHBondContact O-N 3.43Å; S299-C303 PolarHBondContact O-SG 2.93Å; S299-C303 VanDerWaalsContact O-SG 3.39Å
300I83.7Confident73.9Confident93 Ų9382.1 Ų82.148%0.47745%0.454SS..Hα-helixtrans-63.7-47.5174.8-68166.6000110.3I296 T297 K302 C303 L304I296-I300 HydrophobicContact CG2-CD1 3.87Å; I296-I300 WeakPolarHBondContact O-CG1 3.33Å; I296-I300 PolarHBondContact O-N 3.22Å; T297-I300 PolarHBondContact O-N 3.43Å; I300-K302 VanDerWaalsContact C-N 3.32Å; I300-K302 PolarHBondContact O-N 2.64Å; I300-C303 WeakPolarHBondContact O-CB 3.3Å; I300-C303 PolarHBondContact O-N 2.96Å; I300-C303 VanDerWaalsContact O-N 3.13Å; I300-L304 HydrophobicContact CG2-CD1 3.83Å; I300-L304 HydrophobicContact CG2-CG 4.27Å; I300-L304 VanDerWaalsContact O-CG 3.31Å; I300-L304 WeakPolarHBondContact O-CG 3.35Å; I300-L304 PolarHBondContact O-N 2.99Å
301L81.6Confident71.5Confident50 Ų5087.6 Ų87.626%0.26247%0.472SS..Hα-helixtrans-56.3-46.7176.3-88.1155000111.1A232 T297 M298 C303 L304 T305A232-L301 HydrophobicContact CB-CB 4.19Å; T297-L301 HydrophobicContact CG2-CD1 4.05Å; T297-L301 WeakPolarHBondContact O-CB 3.23Å; T297-L301 PolarHBondContact O-N 3.3Å; M298-L301 HydrophobicContact CE-CD1 3.48Å; M298-L301 VanDerWaalsContact CE-CD1 3.48Å; M298-L301 PolarHBondContact O-N 3.06Å; M298-L301 HydrophobicContact SD-CD1 4.15Å; L301-C303 VanDerWaalsContact C-N 3.34Å; L301-C303 PolarHBondContact O-N 3.22Å; L301-L304 CarbonylContact O-C 3.59Å; L301-L304 PolarHBondContact O-N 3.45Å; L301-L304 VanDerWaalsContact O-N 3.1Å; L301-T305 WeakPolarHBondContact O-CB 3.47Å; L301-T305 WeakPolarHBondContact O-CG2 3.41Å; L301-T305 PolarHBondContact O-N 3.37Å; L301-T305 PolarHBondContact O-OG1 3.41Å
302K78.2Confident69.4Low78 Ų7898.4 Ų98.434%0.33951%0.507SS..Hα-helixtrans-56.8-44.9174.7-174.6-179.2-175.81760111.6E231 A232 M298 S299 I300 L304 T305 C306E231-K302 HydrophobicContact CB-CD 4.33Å; E231-K302 IonicContact OE1-NZ 2.65Å; E231-K302 PolarHBondContact OE1-NZ 3.44Å; E231-K302 IonicContact OE2-NZ 3.29Å; E231-K302 PolarHBondContact OE2-NZ 2.71Å; A232-K302 HydrophobicContact CB-CB 4.49Å; M298-K302 VanDerWaalsContact O-CB 3.31Å; M298-K302 WeakPolarHBondContact O-CB 3.49Å; M298-K302 PolarHBondContact O-N 3.38Å; S299-K302 PolarHBondContact O-N 3.41Å; I300-K302 VanDerWaalsContact C-N 3.32Å; I300-K302 PolarHBondContact O-N 2.64Å; K302-L304 VanDerWaalsContact C-N 3.34Å; K302-L304 PolarHBondContact O-N 3.31Å; K302-T305 WeakPolarHBondContact CA-OG1 3.33Å; K302-T305 PolarHBondContact O-N 3.06Å; K302-T305 PolarHBondContact O-OG1 3.48Å; K302-C306 WeakPolarHBondContact O-CB 3.34Å; K302-C306 PolarHBondContact O-N 2.75Å; K302-C306 PolarHBondContact O-SG 3.45Å; K302-C306 VanDerWaalsContact O-SG 3.37Å
303C76.9Confident67Low84 Ų8499.9 Ų99.957%0.56851%0.514SS*.Hα-helixtrans-61.8-41.3174.8-720000112.4S299 I300 L301 C306 L309S299-C303 PolarHBondContact O-N 3.43Å; S299-C303 PolarHBondContact O-SG 2.93Å; S299-C303 VanDerWaalsContact O-SG 3.39Å; I300-C303 WeakPolarHBondContact O-CB 3.3Å; I300-C303 PolarHBondContact O-N 2.96Å; I300-C303 VanDerWaalsContact O-N 3.13Å; L301-C303 VanDerWaalsContact C-N 3.34Å; L301-C303 PolarHBondContact O-N 3.22Å; C303-C306 WeakPolarHBondContact O-CB 3.31Å; C303-L309 WeakPolarHBondContact O-CD1 3.32Å
304L75.4Confident64.7Low105 Ų105102.7 Ų102.755%0.5553%0.528SS..Hα-helixtrans-72.2-32.1179.6-67.3173.3000112.9I300 L301 K302 L309I300-L304 HydrophobicContact CG2-CD1 3.83Å; I300-L304 HydrophobicContact CG2-CG 4.27Å; I300-L304 VanDerWaalsContact O-CG 3.31Å; I300-L304 WeakPolarHBondContact O-CG 3.35Å; I300-L304 PolarHBondContact O-N 2.99Å; L301-L304 CarbonylContact O-C 3.59Å; L301-L304 PolarHBondContact O-N 3.45Å; L301-L304 VanDerWaalsContact O-N 3.1Å; K302-L304 VanDerWaalsContact C-N 3.34Å; K302-L304 PolarHBondContact O-N 3.31Å; L304-L309 HydrophobicContact CD2-CD1 4.43Å
305T66.7Low62.1Low57 Ų57105.8 Ų105.835%0.3555%0.552SS.*Hα-helixtrans-89.1-14.4179.459.70000113L301 K302L301-T305 WeakPolarHBondContact O-CB 3.47Å; L301-T305 WeakPolarHBondContact O-CG2 3.41Å; L301-T305 PolarHBondContact O-N 3.37Å; L301-T305 PolarHBondContact O-OG1 3.41Å; K302-T305 WeakPolarHBondContact CA-OG1 3.33Å; K302-T305 PolarHBondContact O-N 3.06Å; K302-T305 PolarHBondContact O-OG1 3.48Å
306C58.8Low59.9Low61 Ų61106.8 Ų106.841%0.41257%0.567SS.*SBendtrans-54140.3170.7-100.20000111.6K302 C303 C308 L309 R310K302-C306 WeakPolarHBondContact O-CB 3.34Å; K302-C306 PolarHBondContact O-N 2.75Å; K302-C306 PolarHBondContact O-SG 3.45Å; K302-C306 VanDerWaalsContact O-SG 3.37Å; C303-C306 WeakPolarHBondContact O-CB 3.31Å; C306-C308 PolarHBondContact O-N 2.88Å; C306-L309 PolarHBondContact O-N 2.89Å; C306-R310 PolarHBondContact O-N 3.39Å
307S53.6Low57.5Low111 Ų111113.6 Ų113.678%0.77661%0.605SS**THydrogen-bonded Turntrans-49.3-26.2-171.3-33.60000115.1L309S307-L309 VanDerWaalsContact C-N 3.32Å; S307-L309 PolarHBondContact O-N 2.65Å
308C50.9Low56.2Low129 Ų129116.4 Ų116.487%0.87262%0.617SS**THydrogen-bonded Turntrans-69.5-24.8179.8-56.80000113.8C306C306-C308 PolarHBondContact O-N 2.88Å
309L42.4Very low54.6Low116 Ų116121.5 Ų121.561%0.60764%0.644SS**THydrogen-bonded Turntrans-112.6-7.7-178.4-74.1167.2000113.4C303 L304 C306 S307 R311C303-L309 WeakPolarHBondContact O-CD1 3.32Å; L304-L309 HydrophobicContact CD2-CD1 4.43Å; C306-L309 PolarHBondContact O-N 2.89Å; S307-L309 VanDerWaalsContact C-N 3.32Å; S307-L309 PolarHBondContact O-N 2.65Å; L309-R311 VanDerWaalsContact C-N 3.32Å; L309-R311 PolarHBondContact O-N 3.39Å
310R42.5Very low53.1Low178 Ų178125.7 Ų125.767%0.67266%0.662SS**  trans-72.580.9179.4-145.6176.2-168.1-171.95.5110.4C306 R312C306-R310 PolarHBondContact O-N 3.39Å; R310-R312 PolarHBondContact O-N 2.79Å
311R37.1Very low51.3Low220 Ų220127.6 Ų127.683%0.8367%0.673SS**  trans-55.4127.1155.3-89.2-174178.8-176.90.8106.1L309 T313L309-R311 VanDerWaalsContact C-N 3.32Å; L309-R311 PolarHBondContact O-N 3.39Å; R311-T313 PolarHBondContact O-N 3Å; R311-T313 PolarHBondContact O-OG1 3.29Å
312R38.4Very low49.4Very low245 Ų245132.4 Ų132.493%0.92570%0.699SS**  trans-60.279.4172.2-73.1179.1176.2177.7-1.1109R310 I314R310-R312 PolarHBondContact O-N 2.79Å; R312-I314 VanDerWaalsContact C-N 3.35Å; R312-I314 PolarHBondContact O-N 3.29Å; R312-I314 VanDerWaalsContact O-N 3.1Å
313T34.4Very low47.5Very low130 Ų130136.1 Ų136.180%0.79872%0.723SS**  trans-80.992.6171.228.20000108R311R311-T313 PolarHBondContact O-N 3Å; R311-T313 PolarHBondContact O-OG1 3.29Å
314I37.5Very low45.4Very low158 Ų158139.8 Ų139.881%0.8173%0.734SS**  trans-1.3118.7143.7-59.3164.8000113.2R312R312-I314 VanDerWaalsContact C-N 3.35Å; R312-I314 PolarHBondContact O-N 3.29Å; R312-I314 VanDerWaalsContact O-N 3.1Å
315S28.1Very low43.1Very low95 Ų95142.5 Ų142.566%0.66475%0.748SS**  trans-50.5137.9164.4-174.10000110.1
316P34.6Very low41.1Very low114 Ų114149.6 Ų149.674%0.7478%0.782SS**  trans-63.8141.8164.430.1-30.4000108
317N35.1Very low39.5Very low238 Ų238157.6 Ų157.6100%1.27382%0.815SS**  trans-44.70177.6-60.9-55.5000113.7

Retrieved 317 of 317 residues in 123.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).