A0A077ZFT6_TRITR Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A077ZFT6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 325 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
1M29.7Very low57.8Low243 Ų243119.2 Ų119.2100%1.19764%0.641SS**  0105.60-87.5-176.2-93.900106.8
2C29.5Very low60.4Low131 Ų131109.8 Ų109.889%0.88559%0.591SS**  trans158.578.9164.7-90.30000107.1
3T33.8Very low62.7Low140 Ų140105 Ų10586%0.85956%0.564SS**  trans-128.619.8178.1470000113.1
4E36.1Very low64.8Low173 Ų173103.6 Ų103.681%0.80856%0.561SS**SBendtrans-11811.1-171.1-70.7-169.2164.400116.6
5H48.6Very low66.5Low161 Ų161100.4 Ų100.475%0.74554%0.543SS*.  trans-126.712.2-177-68.9-34.8000116.8A7H5-A7 PolarHBondContact O-N 3.2Å
6V56Low68.1Low126 Ų12694.4 Ų94.476%0.76451%0.511SS*.  trans-91.1108.2171.2-168.90000107.7S8V6-S8 PolarHBondContact O-N 3.32Å
7A63.6Low69.6Low19 Ų1994.4 Ų94.416%0.15751%0.507CS..  trans-54.3142.516900000109.9H5 Y11 L12 L58H5-A7 PolarHBondContact O-N 3.2Å; A7-Y11 HydrophobicContact CB-CD1 3.69Å; A7-Y11 HydrophobicContact CB-CG 4.41Å; A7-L12 HydrophobicContact CB-CG 4.32Å; A7-L58 HydrophobicContact CB-CD1 3.24Å; A7-L58 HydrophobicContact CB-CD2 4.33Å; A7-L58 HydrophobicContact CB-CG 3.6Å
8S78.6Confident71Confident57 Ų5794.1 Ų94.140%0.39951%0.511SS..  trans-58.9143.7172.592.30000109.3V6 E10 Y11 L12V6-S8 PolarHBondContact O-N 3.32Å; S8-E10 WeakPolarHBondContact CB-OE2 3.49Å; S8-E10 PolarHBondContact O-N 2.74Å; S8-E10 VanDerWaalsContact O-N 3.13Å; S8-E10 PolarHBondContact OG-N 2.91Å; S8-E10 PolarHBondContact OG-OE2 3.26Å; S8-Y11 WeakPolarHBondContact O-CB 3.42Å; S8-Y11 PolarHBondContact O-N 2.87Å; S8-Y11 PolarHBondContact OG-N 3.09Å; S8-L12 PolarHBondContact O-N 3.12Å
9P82.8Confident72.4Confident50 Ų5091.7 Ų91.733%0.32551%0.51SS..Hα-helixtrans-51.6-35.1175-2835.6000112.5Y11 L12 I13 T34 V39P9-Y11 VanDerWaalsContact C-N 3.34Å; P9-Y11 PolarHBondContact O-N 3.14Å; P9-L12 PolarHBondContact O-N 3.21Å; P9-I13 WeakPolarHBondContact O-CD1 3.39Å; P9-I13 WeakPolarHBondContact O-CG1 3.46Å; P9-I13 PolarHBondContact O-N 3.28Å; P9-T34 HydrophobicContact CB-CG2 3.7Å; P9-T34 HydrophobicContact CG-CG2 4.22Å; P9-V39 HydrophobicContact CB-CG1 3.91Å
10E87.4Confident73.5Confident119 Ų11989.2 Ų89.256%0.55650%0.497SS*.Hα-helixtrans-59.8-42.6176.2-57.572.6-154.800111.5S8 I13 T14S8-E10 WeakPolarHBondContact CB-OE2 3.49Å; S8-E10 PolarHBondContact O-N 2.74Å; S8-E10 VanDerWaalsContact O-N 3.13Å; S8-E10 PolarHBondContact OG-N 2.91Å; S8-E10 PolarHBondContact OG-OE2 3.26Å; E10-I13 PolarHBondContact O-N 3.44Å; E10-T14 WeakPolarHBondContact O-CG2 3.05Å; E10-T14 PolarHBondContact O-N 2.92Å; E10-T14 VanDerWaalsContact O-N 3.13Å
11Y89.8Confident74.6Confident92 Ų9288.5 Ų88.536%0.36149%0.492SS..Hα-helixtrans-62.2-47.1176.1-179.7-109.5000111.3A7 S8 P9 I13 T14 L15 L58A7-Y11 HydrophobicContact CB-CD1 3.69Å; A7-Y11 HydrophobicContact CB-CG 4.41Å; S8-Y11 WeakPolarHBondContact O-CB 3.42Å; S8-Y11 PolarHBondContact O-N 2.87Å; S8-Y11 PolarHBondContact OG-N 3.09Å; P9-Y11 VanDerWaalsContact C-N 3.34Å; P9-Y11 PolarHBondContact O-N 3.14Å; Y11-I13 VanDerWaalsContact C-N 3.27Å; Y11-I13 PolarHBondContact O-N 2.58Å; Y11-T14 PolarHBondContact O-N 2.7Å; Y11-T14 PolarHBondContact O-OG1 2.82Å; Y11-L15 HydrophobicContact CD1-CD1 4.37Å; Y11-L15 HydrophobicContact CE1-CD1 3.96Å; Y11-L15 HydrophobicContact CE1-CG 4.42Å; Y11-L15 PolarHBondContact O-N 2.79Å; Y11-L58 HydrophobicContact CD1-CD2 4.32Å; Y11-L58 HydrophobicContact CE1-CD2 3.98Å
12L88.9Confident77.8Confident7 Ų777 Ų774%0.03744%0.435CS..Hα-helixtrans-61-36.4177.6-68.9175.6000112.1A7 S8 P9 T14 L15 V39 I56 L58 V94A7-L12 HydrophobicContact CB-CG 4.32Å; S8-L12 PolarHBondContact O-N 3.12Å; P9-L12 PolarHBondContact O-N 3.21Å; L12-T14 VanDerWaalsContact C-N 3.3Å; L12-T14 PolarHBondContact O-N 2.99Å; L12-L15 HydrophobicContact CD2-CD1 4.25Å; L12-L15 WeakPolarHBondContact O-CB 3.48Å; L12-L15 PolarHBondContact O-N 3.14Å; L12-V39 HydrophobicContact CB-CG1 4.17Å; L12-V39 HydrophobicContact CB-CG2 3.57Å; L12-V39 HydrophobicContact CD1-CG1 4.36Å; L12-V39 HydrophobicContact CD1-CG2 4.22Å; L12-I56 HydrophobicContact CB-CD1 4.15Å; L12-I56 HydrophobicContact CD2-CD1 4.28Å; L12-L58 HydrophobicContact CD2-CD2 3.78Å; L12-L58 HydrophobicContact CD2-CG 3.91Å; L12-V94 HydrophobicContact CD2-CG1 4.08Å
13I90.4Very high81Confident47 Ų4774.3 Ų74.324%0.24141%0.412CS..Hα-helixtrans-61.9-38.9174.7-67.5161.5000111.1P9 E10 Y11 L15 M16 Q17 F31 V39P9-I13 WeakPolarHBondContact O-CD1 3.39Å; P9-I13 WeakPolarHBondContact O-CG1 3.46Å; P9-I13 PolarHBondContact O-N 3.28Å; E10-I13 PolarHBondContact O-N 3.44Å; Y11-I13 VanDerWaalsContact C-N 3.27Å; Y11-I13 PolarHBondContact O-N 2.58Å; I13-L15 PolarHBondContact O-N 2.94Å; I13-M16 PolarHBondContact O-N 3.44Å; I13-Q17 PolarHBondContact O-NE2 2.92Å; I13-F31 HydrophobicContact CD1-CD2 4.1Å; I13-F31 HydrophobicContact CD1-CE2 3.71Å; I13-F31 HydrophobicContact CD1-CZ 3.94Å; I13-F31 HydrophobicContact CG1-CD2 3.89Å; I13-F31 HydrophobicContact CG1-CE2 3.84Å; I13-V39 HydrophobicContact CG1-CG1 4.22Å
14T91.8Very high83.9Confident86 Ų8676.4 Ų76.453%0.52841%0.412SS..Hα-helixtrans-66.2-25178.569.60000113.6E10 Y11 L12 M16E10-T14 WeakPolarHBondContact O-CG2 3.05Å; E10-T14 PolarHBondContact O-N 2.92Å; E10-T14 VanDerWaalsContact O-N 3.13Å; Y11-T14 PolarHBondContact O-N 2.7Å; Y11-T14 PolarHBondContact O-OG1 2.82Å; L12-T14 VanDerWaalsContact C-N 3.3Å; L12-T14 PolarHBondContact O-N 2.99Å; T14-M16 VanDerWaalsContact C-N 3.34Å
15L90.9Very high86.9Confident55 Ų5571.5 Ų71.529%0.28839%0.386SS..Hα-helixtrans-74.3-20.5178.7-61.2177.9000114Y11 L12 I13 L58 V94Y11-L15 HydrophobicContact CD1-CD1 4.37Å; Y11-L15 HydrophobicContact CE1-CD1 3.96Å; Y11-L15 HydrophobicContact CE1-CG 4.42Å; Y11-L15 PolarHBondContact O-N 2.79Å; L12-L15 HydrophobicContact CD2-CD1 4.25Å; L12-L15 WeakPolarHBondContact O-CB 3.48Å; L12-L15 PolarHBondContact O-N 3.14Å; I13-L15 PolarHBondContact O-N 2.94Å; L15-L58 HydrophobicContact CD1-CD2 4.29Å; L15-V94 HydrophobicContact CD1-CG1 3.65Å
16M91.9Very high89.2Confident4 Ų463.8 Ų63.82%0.0235%0.351CS..SBendtrans-131.772.6-172.4-65.4-60177.400111I13 T14 T20 V22 V28 F41 M54 I56 V94I13-M16 PolarHBondContact O-N 3.44Å; T14-M16 VanDerWaalsContact C-N 3.34Å; M16-T20 HydrophobicContact SD-CG2 3.94Å; M16-V22 HydrophobicContact CE-CG2 3.66Å; M16-V22 HydrophobicContact SD-CG2 3.47Å; M16-V22 WeakPolarHBondContact SD-CG2 3.43Å; M16-V28 HydrophobicContact CB-CG1 4.4Å; M16-V28 HydrophobicContact CB-CG2 4.29Å; M16-V28 HydrophobicContact SD-CG2 4.22Å; M16-F41 HydrophobicContact CB-CD1 4.45Å; M16-F41 HydrophobicContact CB-CD2 4.22Å; M16-F41 HydrophobicContact CB-CE1 3.96Å; M16-F41 HydrophobicContact CB-CE2 3.65Å; M16-F41 HydrophobicContact CB-CZ 3.54Å; M16-F41 HydrophobicContact CG-CE2 3.96Å; M16-F41 HydrophobicContact CG-CZ 4.29Å; M16-F41 WeakPolarHBondContact O-CE1 3.27Å; M16-M54 HydrophobicContact CG-CE 4.37Å; M16-M54 HydrophobicContact SD-CE 4.17Å; M16-I56 HydrophobicContact CE-CD1 4.47Å; M16-I56 HydrophobicContact CE-CG2 4.41Å; M16-I56 HydrophobicContact CG-CD1 3.66Å; M16-V94 HydrophobicContact CE-CG2 3.44Å; M16-V94 VanDerWaalsContact CE-CG2 3.44Å
17Q92.7Very high91.2Very high95 Ų9559.3 Ų59.344%0.44432%0.322SS..  trans-77154.6175.8-65.5-59.7-60.900111I13 G19 T20I13-Q17 PolarHBondContact O-NE2 2.92Å; Q17-G19 PolarHBondContact O-N 3.13Å; Q17-T20 PolarHBondContact N-OG1 3.36Å; Q17-T20 VanDerWaalsContact O-CB 3.26Å; Q17-T20 WeakPolarHBondContact O-CB 3.45Å; Q17-T20 PolarHBondContact O-N 2.93Å; Q17-T20 PolarHBondContact O-OG1 2.89Å
18P96.1Very high92.9Very high89 Ų8958.5 Ų58.558%0.57832%0.315SS*.THydrogen-bonded Turntrans-50.9129.7171.5-27.836.3000111.8V28P18-V28 CarbonylContact C-O 3.46Å; P18-V28 VanDerWaalsContact CA-O 3.27Å; P18-V28 WeakPolarHBondContact CA-O 3.43Å
19G96.3Very high93.8Very high49 Ų4958.4 Ų58.451%0.50531%0.31SS..THydrogen-bonded Turntrans93.1-10.9-174.200000115.1Q17 I21 N27 V28Q17-G19 PolarHBondContact O-N 3.13Å; G19-I21 PolarHBondContact O-N 2.81Å; G19-N27 WeakPolarHBondContact CA-OD1 3.4Å; G19-V28 PolarHBondContact N-O 2.86Å
20T96.1Very high94.5Very high41 Ų4162.5 Ų62.525%0.25232%0.323SS..  trans-61.9126.6170.7-63.30000109.6M16 Q17 V22 V28M16-T20 HydrophobicContact SD-CG2 3.94Å; Q17-T20 PolarHBondContact N-OG1 3.36Å; Q17-T20 VanDerWaalsContact O-CB 3.26Å; Q17-T20 WeakPolarHBondContact O-CB 3.45Å; Q17-T20 PolarHBondContact O-N 2.93Å; Q17-T20 PolarHBondContact O-OG1 2.89Å; T20-V22 HydrophobicContact CG2-CG2 4.32Å; T20-V28 WeakPolarHBondContact O-CG2 3.42Å; T20-V28 PolarHBondContact O-N 3.04Å
21I96.6Very high94.9Very high75 Ų7560.6 Ų60.639%0.38531%0.313SS..EExtended strand (participates in β ladder)trans-97.2115.4175.5-53.6-55.3000109.4G19 W26 N27 V46G19-I21 PolarHBondContact O-N 2.81Å; I21-W26 WeakPolarHBondContact CA-O 3.17Å; I21-N27 HydrophobicContact CD1-CB 3.61Å; I21-V46 HydrophobicContact CD1-CG1 4.31Å
22V96.8Very high95.1Very high0 Ų060.1 Ų60.10%032%0.316CS..EExtended strand (participates in β ladder)trans-95.9132.3176.8176.90000109.9M16 T20 E24 R25 W26 V28 M54 H91 Y96M16-V22 HydrophobicContact CE-CG2 3.66Å; M16-V22 HydrophobicContact SD-CG2 3.47Å; M16-V22 WeakPolarHBondContact SD-CG2 3.43Å; T20-V22 HydrophobicContact CG2-CG2 4.32Å; V22-E24 PolarHBondContact O-N 3.24Å; V22-R25 PolarHBondContact O-N 3.14Å; V22-R25 VanDerWaalsContact O-N 3.08Å; V22-W26 HydrophobicContact CB-CB 4.17Å; V22-W26 PolarHBondContact N-O 3.38Å; V22-W26 PolarHBondContact O-N 2.97Å; V22-V28 HydrophobicContact CG2-CG2 4.28Å; V22-M54 HydrophobicContact CB-SD 4.18Å; V22-M54 HydrophobicContact CG1-SD 4.11Å; V22-M54 HydrophobicContact CG2-CE 4Å; V22-M54 HydrophobicContact CG2-SD 4.13Å; V22-H91 HydrophobicContact CG1-CB 3.74Å; V22-Y96 HydrophobicContact CG1-CD1 3.91Å; V22-Y96 HydrophobicContact CG1-CE1 4Å; V22-Y96 HydrophobicContact CG1-CG 4.2Å
23N95.6Very high95.2Very high76 Ų7660.9 Ų60.941%0.40633%0.325SS..THydrogen-bonded Turntrans50.938.4179.4-164.138.5000113.7R25 E87 H91 Y96N23-R25 WeakPolarHBondContact O-CB 3.39Å; N23-R25 PolarHBondContact O-N 2.9Å; N23-E87 PolarHBondContact ND2-OE1 2.89Å; N23-H91 PolarHBondContact N-ND1 2.87Å; N23-Y96 HydrophobicContact CB-CE1 4.38Å; N23-Y96 WeakPolarHBondContact CB-OH 3.47Å; N23-Y96 PolarHBondContact ND2-OH 3.18Å
24E95.6Very high95.1Very high183 Ų18362.9 Ų62.986%0.85534%0.34SS*.THydrogen-bonded Turntrans57.59.6-178.6-56.4179.2176.100115V22V22-E24 PolarHBondContact O-N 3.24Å
25R97.7Very high94.3Very high70 Ų7060 Ų6026%0.26433%0.327SS..THydrogen-bonded Turntrans-133.7-38.4-168.2-178174.4178.5-1701.2114.7V22 N23 D45 V46 E87V22-R25 PolarHBondContact O-N 3.14Å; V22-R25 VanDerWaalsContact O-N 3.08Å; N23-R25 WeakPolarHBondContact O-CB 3.39Å; N23-R25 PolarHBondContact O-N 2.9Å; R25-D45 IonicContact CZ-OD2 3.76Å; R25-D45 IonicContact NE-OD1 3.89Å; R25-D45 IonicContact NE-OD2 2.91Å; R25-D45 PolarHBondContact NE-OD2 3.25Å; R25-D45 IonicContact NH2-OD2 2.7Å; R25-D45 PolarHBondContact NH2-OD2 3.02Å; R25-V46 WeakPolarHBondContact O-CG1 3.29Å; R25-V46 WeakPolarHBondContact O-CG2 3.3Å; R25-V46 PolarHBondContact O-N 2.88Å; R25-E87 IonicContact NH1-OE2 2.68Å; R25-E87 PolarHBondContact NH1-OE2 3.16Å
26W98.4Very high93.5Very high0 Ų060.2 Ų60.20%033%0.333CS..EExtended strand (participates in β ladder)trans-103.4102.6-168.1-53.1110.5000110.2I21 V22 V28 V43 D45 Y52 I86 E87 V98I21-W26 WeakPolarHBondContact CA-O 3.17Å; V22-W26 HydrophobicContact CB-CB 4.17Å; V22-W26 PolarHBondContact N-O 3.38Å; V22-W26 PolarHBondContact O-N 2.97Å; W26-V28 PolarHBondContact O-N 2.89Å; W26-V43 HydrophobicContact CB-CB 4.36Å; W26-V43 HydrophobicContact CB-CG2 4.47Å; W26-V43 HydrophobicContact CE3-CG2 4.09Å; W26-D45 HydrophobicContact CE3-CB 4.23Å; W26-D45 HydrophobicContact CH2-CB 4.47Å; W26-D45 HydrophobicContact CZ3-CB 3.69Å; W26-Y52 HydrophobicContact CE3-CD2 4.44Å; W26-Y52 HydrophobicContact CH2-CD2 4.39Å; W26-Y52 HydrophobicContact CH2-CE2 4.46Å; W26-Y52 AromaticContact CZ3-CD2 3.61Å; W26-Y52 HydrophobicContact CZ3-CD2 3.61Å; W26-Y52 AromaticContact CZ3-CE2 3.94Å; W26-Y52 HydrophobicContact CZ3-CE2 3.94Å; W26-Y52 HydrophobicContact CZ3-CG 4.3Å; W26-I86 HydrophobicContact CH2-CG2 3.55Å; W26-I86 HydrophobicContact CZ2-CG2 3.91Å; W26-E87 HydrophobicContact CZ2-CB 4.19Å; W26-E87 PolarHBondContact NE1-OE1 3.07Å; W26-V98 HydrophobicContact CD2-CG1 4.25Å; W26-V98 HydrophobicContact CD2-CG2 3.93Å; W26-V98 HydrophobicContact CE3-CG1 4.07Å; W26-V98 HydrophobicContact CG-CG2 4.11Å; W26-V98 HydrophobicContact CH2-CG1 3.92Å; W26-V98 HydrophobicContact CZ2-CB 4.3Å; W26-V98 HydrophobicContact CZ2-CG1 4.07Å; W26-V98 HydrophobicContact CZ2-CG2 4.25Å; W26-V98 HydrophobicContact CZ3-CG1 3.9Å
27N98.2Very high92.9Very high32 Ų3263.3 Ų63.317%0.17135%0.347CS..EExtended strand (participates in β ladder)trans-79.3114.8175.6178.825.8000110.2G19 I21 L29 V43 E44 V46G19-N27 WeakPolarHBondContact CA-OD1 3.4Å; I21-N27 HydrophobicContact CD1-CB 3.61Å; N27-L29 PolarHBondContact O-N 3.21Å; N27-V43 CarbonylContact O-C 3.51Å; N27-V43 WeakPolarHBondContact O-CA 3.3Å; N27-E44 HydrophobicContact CB-CB 4.41Å; N27-E44 PolarHBondContact N-O 3.06Å; N27-E44 PolarHBondContact O-N 3.36Å; N27-V46 HydrophobicContact CB-CG1 4Å
28V98.2Very high92.7Very high1 Ų159.1 Ų59.11%0.00633%0.33CS..EExtended strand (participates in β ladder)trans-67.7121176.2178.50000109.6M16 P18 G19 T20 V22 W26 F41 V43 M54M16-V28 HydrophobicContact CB-CG1 4.4Å; M16-V28 HydrophobicContact CB-CG2 4.29Å; M16-V28 HydrophobicContact SD-CG2 4.22Å; P18-V28 CarbonylContact C-O 3.46Å; P18-V28 VanDerWaalsContact CA-O 3.27Å; P18-V28 WeakPolarHBondContact CA-O 3.43Å; G19-V28 PolarHBondContact N-O 2.86Å; T20-V28 WeakPolarHBondContact O-CG2 3.42Å; T20-V28 PolarHBondContact O-N 3.04Å; V22-V28 HydrophobicContact CG2-CG2 4.28Å; W26-V28 PolarHBondContact O-N 2.89Å; V28-F41 HydrophobicContact CG1-CB 4.26Å; V28-F41 HydrophobicContact CG1-CD1 3.91Å; V28-F41 HydrophobicContact CG1-CG 4.2Å; V28-V43 HydrophobicContact CG2-CG1 4.29Å; V28-M54 HydrophobicContact CG2-CE 3.71Å
29L97.9Very high92.6Very high55 Ų5554.9 Ų54.929%0.28830%0.302SS..EExtended strand (participates in β ladder)trans-99.9-50.6-179.6-61.2-173.6000112.4N27 K42 E44 N51N27-L29 PolarHBondContact O-N 3.21Å; L29-K42 WeakPolarHBondContact CB-O 3.46Å; L29-K42 HydrophobicContact CD1-CD 4.28Å; L29-K42 HydrophobicContact CD1-CG 4.28Å; L29-K42 PolarHBondContact N-O 3.26Å; L29-E44 HydrophobicContact CD1-CB 3.94Å; L29-E44 HydrophobicContact CD2-CB 4.16Å; L29-E44 HydrophobicContact CG-CB 4.11Å; L29-N51 VanDerWaalsContact CD1-OD1 3.28Å; L29-N51 WeakPolarHBondContact CD1-OD1 3.2Å
30K96.6Very high92.6Very high137 Ų13754.1 Ų54.160%0.59629%0.287SS*.EExtended strand (participates in β ladder)trans-158.7142-170.1-171.1-174.3169.3179.30111.6F41 K42K30-F41 CarbonylContact O-C 3.54Å; K30-F41 VanDerWaalsContact O-CA 3.31Å; K30-F41 WeakPolarHBondContact O-CA 3.3Å; K30-K42 HydrophobicContact CB-CB 4.48Å; K30-K42 PolarHBondContact N-O 3.2Å; K30-K42 PolarHBondContact O-N 3.19Å
31F96.1Very high92.6Very high78 Ų7852.2 Ų52.234%0.34228%0.276SS..EExtended strand (participates in β ladder)trans-65.8131.2165.9173.3-104.4000111.5I13 G33 T34 V39 F41I13-F31 HydrophobicContact CD1-CD2 4.1Å; I13-F31 HydrophobicContact CD1-CE2 3.71Å; I13-F31 HydrophobicContact CD1-CZ 3.94Å; I13-F31 HydrophobicContact CG1-CD2 3.89Å; I13-F31 HydrophobicContact CG1-CE2 3.84Å; F31-G33 VanDerWaalsContact CE2-C 3.43Å; F31-G33 WeakPolarHBondContact CE2-O 3.33Å; F31-T34 HydrophobicContact CE2-CG2 4.43Å; F31-T34 HydrophobicContact CZ-CG2 3.95Å; F31-V39 HydrophobicContact CE2-CB 4.01Å; F31-V39 HydrophobicContact CE2-CG1 4.19Å; F31-F41 HydrophobicContact CB-CD1 4.07Å; F31-F41 HydrophobicContact CB-CE1 4Å; F31-F41 HydrophobicContact CD2-CD1 4.41Å; F31-F41 HydrophobicContact CD2-CE1 4Å; F31-F41 HydrophobicContact CD2-CZ 4.37Å
32L94Very high92.7Very high82 Ų8251.5 Ų51.543%0.42927%0.27SS..EExtended strand (participates in β ladder)trans-102.5-36.8179.3-67.4178.4000112.8V40 K42 L101L32-V40 HydrophobicContact CB-CB 4.45Å; L32-V40 HydrophobicContact CB-CG1 4.38Å; L32-V40 WeakPolarHBondContact CB-O 3.47Å; L32-V40 HydrophobicContact CD1-CG1 4.22Å; L32-V40 PolarHBondContact N-O 3.33Å; L32-K42 HydrophobicContact CD1-CB 3.97Å; L32-K42 HydrophobicContact CD2-CB 4.04Å; L32-K42 HydrophobicContact CG-CB 4Å; L32-L101 HydrophobicContact CD1-CD1 3.66Å
33G91.5Very high92.8Very high23 Ų2351.5 Ų51.524%0.23727%0.27CS..EExtended strand (participates in β ladder)trans167173.9-178.400000113.5F31 V40F31-G33 VanDerWaalsContact CE2-C 3.43Å; F31-G33 WeakPolarHBondContact CE2-O 3.33Å; G33-V40 PolarHBondContact N-O 2.97Å; G33-V40 PolarHBondContact O-N 3.04Å
34T88.2Confident92.9Very high89 Ų8949.8 Ų49.855%0.54626%0.259SS..EExtended strand (participates in β ladder)trans-93.3130.2171.355.60000109.2P9 F31 V39P9-T34 HydrophobicContact CB-CG2 3.7Å; P9-T34 HydrophobicContact CG-CG2 4.22Å; F31-T34 HydrophobicContact CE2-CG2 4.43Å; F31-T34 HydrophobicContact CZ-CG2 3.95Å; T34-V39 HydrophobicContact CG2-CG1 4.19Å
35G76Confident93Very high25 Ų2541.1 Ų41.126%0.25822%0.219SC..  trans-86.3-178.1164.600000110.4F37 G38G35-F37 PolarHBondContact O-N 2.74Å; G35-G38 PolarHBondContact N-O 3.39Å
36S74Confident93Very high60 Ų6040 Ų4042%0.4222%0.22SC..SBendtrans-62.8-24.6177.4-77.20000114.4D168S36-D168 PolarHBondContact N-OD2 3.15Å
37F78.7Confident92.9Very high69 Ų6945.9 Ų45.930%0.30325%0.251SS..SBendtrans-137.311.6-170.8-53.5-74000114.1G35 I65 I171G35-F37 PolarHBondContact O-N 2.74Å; F37-I65 HydrophobicContact CB-CD1 3.75Å; F37-I65 HydrophobicContact CB-CG2 3.8Å; F37-I65 HydrophobicContact CD1-CD1 3.5Å; F37-I65 VanDerWaalsContact CD1-CD1 3.5Å; F37-I65 HydrophobicContact CD2-CD1 4.17Å; F37-I65 HydrophobicContact CD2-CG2 3.79Å; F37-I65 HydrophobicContact CE1-CD1 4.14Å; F37-I65 HydrophobicContact CG-CD1 3.52Å; F37-I65 HydrophobicContact CG-CG2 3.93Å; F37-I171 HydrophobicContact CE2-CG2 3.56Å; F37-I171 HydrophobicContact CZ-CG2 3.33Å
38G88.6Confident92.8Very high8 Ų848.3 Ų48.38%0.08226%0.264CS..SBendtrans-176-169.6-172.700000112.1G35 I56G35-G38 PolarHBondContact N-O 3.39Å; G38-I56 WeakPolarHBondContact CA-O 3.4Å
39V93.5Very high92.8Very high0 Ų054.1 Ų54.10%029%0.289CS..EExtended strand (participates in β ladder)trans-124.8148.6178.7-62.50000110P9 L12 I13 F31 T34 F41 K55 I56P9-V39 HydrophobicContact CB-CG1 3.91Å; L12-V39 HydrophobicContact CB-CG1 4.17Å; L12-V39 HydrophobicContact CB-CG2 3.57Å; L12-V39 HydrophobicContact CD1-CG1 4.36Å; L12-V39 HydrophobicContact CD1-CG2 4.22Å; I13-V39 HydrophobicContact CG1-CG1 4.22Å; F31-V39 HydrophobicContact CE2-CB 4.01Å; F31-V39 HydrophobicContact CE2-CG1 4.19Å; T34-V39 HydrophobicContact CG2-CG1 4.19Å; V39-F41 HydrophobicContact CB-CE2 4.3Å; V39-F41 HydrophobicContact CG2-CD2 4.4Å; V39-F41 HydrophobicContact CG2-CE2 3.43Å; V39-F41 VanDerWaalsContact CG2-CE2 3.43Å; V39-F41 HydrophobicContact CG2-CZ 3.79Å; V39-K55 CarbonylContact O-C 3.51Å; V39-K55 WeakPolarHBondContact O-CA 3.44Å; V39-I56 HydrophobicContact CG2-CD1 3.72Å; V39-I56 HydrophobicContact CG2-CG1 3.37Å; V39-I56 PolarHBondContact N-O 3.32Å; V39-I56 VanDerWaalsContact N-O 3.12Å; V39-I56 PolarHBondContact O-N 2.89Å
40V95.8Very high92.7Very high32 Ų3254.3 Ų54.319%0.19429%0.293CS..EExtended strand (participates in β ladder)trans-115.8133.2-176.6-171.40000109.1L32 G33 A53 M54 K55L32-V40 HydrophobicContact CB-CB 4.45Å; L32-V40 HydrophobicContact CB-CG1 4.38Å; L32-V40 WeakPolarHBondContact CB-O 3.47Å; L32-V40 HydrophobicContact CD1-CG1 4.22Å; L32-V40 PolarHBondContact N-O 3.33Å; G33-V40 PolarHBondContact N-O 2.97Å; G33-V40 PolarHBondContact O-N 3.04Å; V40-A53 HydrophobicContact CG1-CB 4.2Å; V40-M54 CarbonylContact C-O 3.52Å; V40-M54 WeakPolarHBondContact CA-O 3.38Å; V40-K55 HydrophobicContact CG2-CB 4.26Å; V40-K55 HydrophobicContact CG2-CD 4.4Å; V40-K55 HydrophobicContact CG2-CG 3.96Å
41F97.4Very high92.8Very high2 Ų250.7 Ų50.71%0.00928%0.28CS..EExtended strand (participates in β ladder)trans-119.4151.7175.3-59.8-89.1000110.7M16 V28 K30 F31 V39 V43 A53 M54 I56M16-F41 HydrophobicContact CB-CD1 4.45Å; M16-F41 HydrophobicContact CB-CD2 4.22Å; M16-F41 HydrophobicContact CB-CE1 3.96Å; M16-F41 HydrophobicContact CB-CE2 3.65Å; M16-F41 HydrophobicContact CB-CZ 3.54Å; M16-F41 HydrophobicContact CG-CE2 3.96Å; M16-F41 HydrophobicContact CG-CZ 4.29Å; M16-F41 WeakPolarHBondContact O-CE1 3.27Å; V28-F41 HydrophobicContact CG1-CB 4.26Å; V28-F41 HydrophobicContact CG1-CD1 3.91Å; V28-F41 HydrophobicContact CG1-CG 4.2Å; K30-F41 CarbonylContact O-C 3.54Å; K30-F41 VanDerWaalsContact O-CA 3.31Å; K30-F41 WeakPolarHBondContact O-CA 3.3Å; F31-F41 HydrophobicContact CB-CD1 4.07Å; F31-F41 HydrophobicContact CB-CE1 4Å; F31-F41 HydrophobicContact CD2-CD1 4.41Å; F31-F41 HydrophobicContact CD2-CE1 4Å; F31-F41 HydrophobicContact CD2-CZ 4.37Å; V39-F41 HydrophobicContact CB-CE2 4.3Å; V39-F41 HydrophobicContact CG2-CD2 4.4Å; V39-F41 HydrophobicContact CG2-CE2 3.43Å; V39-F41 VanDerWaalsContact CG2-CE2 3.43Å; V39-F41 HydrophobicContact CG2-CZ 3.79Å; F41-V43 HydrophobicContact CB-CG1 4.41Å; F41-A53 CarbonylContact O-C 3.56Å; F41-A53 WeakPolarHBondContact O-CA 3.39Å; F41-M54 HydrophobicContact CD2-CE 4.27Å; F41-M54 PolarHBondContact N-O 2.89Å; F41-M54 PolarHBondContact O-N 3Å; F41-I56 HydrophobicContact CD2-CG1 4.46Å; F41-I56 HydrophobicContact CE2-CD1 3.74Å; F41-I56 HydrophobicContact CE2-CG1 3.88Å
42K97.8Very high92.9Very high60 Ų6048.7 Ų48.726%0.26127%0.27SS..EExtended strand (participates in β ladder)trans-79.1129.1159.5-173.1178.9177.1-176.90107.5L29 K30 L32 N51 Y52 L101L29-K42 WeakPolarHBondContact CB-O 3.46Å; L29-K42 HydrophobicContact CD1-CD 4.28Å; L29-K42 HydrophobicContact CD1-CG 4.28Å; L29-K42 PolarHBondContact N-O 3.26Å; K30-K42 HydrophobicContact CB-CB 4.48Å; K30-K42 PolarHBondContact N-O 3.2Å; K30-K42 PolarHBondContact O-N 3.19Å; L32-K42 HydrophobicContact CD1-CB 3.97Å; L32-K42 HydrophobicContact CD2-CB 4.04Å; L32-K42 HydrophobicContact CG-CB 4Å; K42-N51 WeakPolarHBondContact CE-OD1 3.46Å; K42-N51 PolarHBondContact NZ-ND2 3.49Å; K42-Y52 WeakPolarHBondContact CA-O 3.46Å; K42-L101 HydrophobicContact CD-CD2 4.41Å; K42-L101 HydrophobicContact CG-CD2 4.43Å
43V98.5Very high93.1Very high0 Ų045.1 Ų45.10%025%0.253CS..EExtended strand (participates in β ladder)trans-124.6154175.6-58.30000110.4W26 N27 V28 F41 N51 Y52 M54 V98W26-V43 HydrophobicContact CB-CB 4.36Å; W26-V43 HydrophobicContact CB-CG2 4.47Å; W26-V43 HydrophobicContact CE3-CG2 4.09Å; N27-V43 CarbonylContact O-C 3.51Å; N27-V43 WeakPolarHBondContact O-CA 3.3Å; V28-V43 HydrophobicContact CG2-CG1 4.29Å; F41-V43 HydrophobicContact CB-CG1 4.41Å; V43-N51 CarbonylContact O-C 3.51Å; V43-N51 WeakPolarHBondContact O-CA 3.34Å; V43-Y52 PolarHBondContact N-O 3.32Å; V43-Y52 PolarHBondContact O-N 2.82Å; V43-M54 HydrophobicContact CB-CB 4.4Å; V43-M54 HydrophobicContact CG1-CB 3.45Å; V43-M54 VanDerWaalsContact CG1-CB 3.45Å; V43-M54 HydrophobicContact CG1-CE 3.86Å; V43-M54 HydrophobicContact CG1-CG 4.36Å; V43-M54 HydrophobicContact CG1-SD 4.09Å; V43-M54 HydrophobicContact CG2-CB 4Å; V43-V98 HydrophobicContact CG2-CG1 4.34Å
44E98.5Very high93.4Very high39 Ų3944 Ų4418%0.18224%0.241CC..EExtended strand (participates in β ladder)trans-110.3134.3170.9179.6-175.191.900108.9N27 L29 V46 K49 T50N27-E44 HydrophobicContact CB-CB 4.41Å; N27-E44 PolarHBondContact N-O 3.06Å; N27-E44 PolarHBondContact O-N 3.36Å; L29-E44 HydrophobicContact CD1-CB 3.94Å; L29-E44 HydrophobicContact CD2-CB 4.16Å; L29-E44 HydrophobicContact CG-CB 4.11Å; E44-V46 PolarHBondContact O-N 3.36Å; E44-K49 HydrophobicContact CG-CD 4.17Å; E44-K49 WeakPolarHBondContact OE1-CD 3.12Å; E44-K49 IonicContact OE1-NZ 3.95Å; E44-K49 PolarHBondContact OE1-NZ 3.36Å; E44-T50 WeakPolarHBondContact CA-O 3.28Å
45D98.3Very high93.7Very high2 Ų240.1 Ų40.11%0.01122%0.217CC..EExtended strand (participates in β ladder)trans-70.3118.5165.4-167.6-34.1000108.8R25 W26 N47 D48 K49 T50 Y52R25-D45 IonicContact CZ-OD2 3.76Å; R25-D45 IonicContact NE-OD1 3.89Å; R25-D45 IonicContact NE-OD2 2.91Å; R25-D45 PolarHBondContact NE-OD2 3.25Å; R25-D45 IonicContact NH2-OD2 2.7Å; R25-D45 PolarHBondContact NH2-OD2 3.02Å; W26-D45 HydrophobicContact CE3-CB 4.23Å; W26-D45 HydrophobicContact CH2-CB 4.47Å; W26-D45 HydrophobicContact CZ3-CB 3.69Å; D45-N47 PolarHBondContact O-N 2.91Å; D45-N47 VanDerWaalsContact O-N 3.13Å; D45-N47 VanDerWaalsContact OD1-CB 3.29Å; D45-N47 WeakPolarHBondContact OD1-CB 3.38Å; D45-N47 PolarHBondContact OD1-N 3.33Å; D45-N47 PolarHBondContact OD1-ND2 3.03Å; D45-D48 WeakPolarHBondContact CB-OD1 3.25Å; D45-K49 VanDerWaalsContact O-CA 3.3Å; D45-K49 WeakPolarHBondContact O-CA 3.22Å; D45-K49 PolarHBondContact O-N 3.4Å; D45-T50 PolarHBondContact N-O 2.98Å; D45-Y52 HydrophobicContact CB-CD2 4.4Å; D45-Y52 HydrophobicContact CB-CE2 3.99Å
46V97.5Very high94.6Very high46 Ų4638.9 Ų38.928%0.27921%0.205SC..THydrogen-bonded Turntrans-61.7-23.1-178.9-63.50000113I21 R25 N27 E44I21-V46 HydrophobicContact CD1-CG1 4.31Å; R25-V46 WeakPolarHBondContact O-CG1 3.29Å; R25-V46 WeakPolarHBondContact O-CG2 3.3Å; R25-V46 PolarHBondContact O-N 2.88Å; N27-V46 HydrophobicContact CB-CG1 4Å; E44-V46 PolarHBondContact O-N 3.36Å
47N96.6Very high95.5Very high123 Ų12336.6 Ų36.666%0.65819%0.187SC*.THydrogen-bonded Turntrans-80.1-45.1-176.3-57.2-62.3000112.8D45D45-N47 PolarHBondContact O-N 2.91Å; D45-N47 VanDerWaalsContact O-N 3.13Å; D45-N47 VanDerWaalsContact OD1-CB 3.29Å; D45-N47 WeakPolarHBondContact OD1-CB 3.38Å; D45-N47 PolarHBondContact OD1-N 3.33Å; D45-N47 PolarHBondContact OD1-ND2 3.03Å
48D96.2Very high96.1Very high84 Ų8435.3 Ų35.345%0.44918%0.183SC..THydrogen-bonded Turntrans-118.1-3.3-172.572.419.4000114.4D45 T50D45-D48 WeakPolarHBondContact CB-OD1 3.25Å; D48-T50 VanDerWaalsContact CG-OG1 3.28Å; D48-T50 PolarHBondContact O-N 2.73Å; D48-T50 WeakPolarHBondContact OD1-CA 3.41Å; D48-T50 WeakPolarHBondContact OD1-CB 3.36Å; D48-T50 PolarHBondContact OD1-N 2.89Å; D48-T50 PolarHBondContact OD1-OG1 2.97Å
49K96.6Very high96.2Very high122 Ų12236.9 Ų36.953%0.5320%0.195SC..  trans64.914.5-179.8-52.9-57.8-174.6-174.10115.1E44 D45E44-K49 HydrophobicContact CG-CD 4.17Å; E44-K49 WeakPolarHBondContact OE1-CD 3.12Å; E44-K49 IonicContact OE1-NZ 3.95Å; E44-K49 PolarHBondContact OE1-NZ 3.36Å; D45-K49 VanDerWaalsContact O-CA 3.3Å; D45-K49 WeakPolarHBondContact O-CA 3.22Å; D45-K49 PolarHBondContact O-N 3.4Å
50T97.2Very high95.8Very high60 Ų6039.8 Ų39.837%0.36821%0.213SC..  trans-76.2141.8175.4-53.10000110.7E44 D45 D48 Y52E44-T50 WeakPolarHBondContact CA-O 3.28Å; D45-T50 PolarHBondContact N-O 2.98Å; D48-T50 VanDerWaalsContact CG-OG1 3.28Å; D48-T50 PolarHBondContact O-N 2.73Å; D48-T50 WeakPolarHBondContact OD1-CA 3.41Å; D48-T50 WeakPolarHBondContact OD1-CB 3.36Å; D48-T50 PolarHBondContact OD1-N 2.89Å; D48-T50 PolarHBondContact OD1-OG1 2.97Å; T50-Y52 HydrophobicContact CG2-CD2 4.44Å; T50-Y52 HydrophobicContact CG2-CE1 4.29Å; T50-Y52 HydrophobicContact CG2-CE2 3.71Å; T50-Y52 WeakPolarHBondContact O-CD2 3.36Å
51N97.6Very high95Very high61 Ų6147.3 Ų47.333%0.32625%0.247SC..EExtended strand (participates in β ladder)trans-92.2135.7179.7-72.8-59.9000112.2L29 K42 V43 L101L29-N51 VanDerWaalsContact CD1-OD1 3.28Å; L29-N51 WeakPolarHBondContact CD1-OD1 3.2Å; K42-N51 WeakPolarHBondContact CE-OD1 3.46Å; K42-N51 PolarHBondContact NZ-ND2 3.49Å; V43-N51 CarbonylContact O-C 3.51Å; V43-N51 WeakPolarHBondContact O-CA 3.34Å; N51-L101 HydrophobicContact CB-CD2 4.44Å
52Y98.2Very high94.2Very high35 Ų3554 Ų5414%0.13728%0.282CS..EExtended strand (participates in β ladder)trans-132.8171.7179.4-62.2-82.9000111.4W26 K42 V43 D45 T50 I86 V98 M99W26-Y52 HydrophobicContact CE3-CD2 4.44Å; W26-Y52 HydrophobicContact CH2-CD2 4.39Å; W26-Y52 HydrophobicContact CH2-CE2 4.46Å; W26-Y52 AromaticContact CZ3-CD2 3.61Å; W26-Y52 HydrophobicContact CZ3-CD2 3.61Å; W26-Y52 AromaticContact CZ3-CE2 3.94Å; W26-Y52 HydrophobicContact CZ3-CE2 3.94Å; W26-Y52 HydrophobicContact CZ3-CG 4.3Å; K42-Y52 WeakPolarHBondContact CA-O 3.46Å; V43-Y52 PolarHBondContact N-O 3.32Å; V43-Y52 PolarHBondContact O-N 2.82Å; D45-Y52 HydrophobicContact CB-CD2 4.4Å; D45-Y52 HydrophobicContact CB-CE2 3.99Å; T50-Y52 HydrophobicContact CG2-CD2 4.44Å; T50-Y52 HydrophobicContact CG2-CE1 4.29Å; T50-Y52 HydrophobicContact CG2-CE2 3.71Å; T50-Y52 WeakPolarHBondContact O-CD2 3.36Å; Y52-I86 HydrophobicContact CD1-CD1 4.12Å; Y52-I86 HydrophobicContact CD1-CG1 3.69Å; Y52-I86 HydrophobicContact CE1-CD1 3.63Å; Y52-I86 HydrophobicContact CE1-CG1 3.71Å; Y52-V98 HydrophobicContact CG-CG1 4.13Å; Y52-M99 WeakPolarHBondContact CB-O 3.27Å
53A97.8Very high93.2Very high7 Ų751.5 Ų51.56%0.05827%0.273CS..EExtended strand (participates in β ladder)trans-102132167.500000109.8V40 F41 V98 M99 L101V40-A53 HydrophobicContact CG1-CB 4.2Å; F41-A53 CarbonylContact O-C 3.56Å; F41-A53 WeakPolarHBondContact O-CA 3.39Å; A53-V98 CarbonylContact O-C 3.6Å; A53-V98 WeakPolarHBondContact O-CA 3.26Å; A53-M99 HydrophobicContact CB-CG 4.11Å; A53-M99 PolarHBondContact N-O 2.79Å; A53-M99 PolarHBondContact O-N 2.85Å; A53-L101 HydrophobicContact CB-CD1 3.97Å
54M97.7Very high92.7Very high0 Ų056.7 Ų56.70%030%0.3CS..EExtended strand (participates in β ladder)trans-115.3115.2172-176.818069.300109.7M16 V22 V28 V40 F41 V43 I56 Y96 L97 V98M16-M54 HydrophobicContact CG-CE 4.37Å; M16-M54 HydrophobicContact SD-CE 4.17Å; V22-M54 HydrophobicContact CB-SD 4.18Å; V22-M54 HydrophobicContact CG1-SD 4.11Å; V22-M54 HydrophobicContact CG2-CE 4Å; V22-M54 HydrophobicContact CG2-SD 4.13Å; V28-M54 HydrophobicContact CG2-CE 3.71Å; V40-M54 CarbonylContact C-O 3.52Å; V40-M54 WeakPolarHBondContact CA-O 3.38Å; F41-M54 HydrophobicContact CD2-CE 4.27Å; F41-M54 PolarHBondContact N-O 2.89Å; F41-M54 PolarHBondContact O-N 3Å; V43-M54 HydrophobicContact CB-CB 4.4Å; V43-M54 HydrophobicContact CG1-CB 3.45Å; V43-M54 VanDerWaalsContact CG1-CB 3.45Å; V43-M54 HydrophobicContact CG1-CE 3.86Å; V43-M54 HydrophobicContact CG1-CG 4.36Å; V43-M54 HydrophobicContact CG1-SD 4.09Å; V43-M54 HydrophobicContact CG2-CB 4Å; M54-I56 HydrophobicContact CE-CG2 4Å; M54-I56 HydrophobicContact CG-CG2 4.07Å; M54-I56 HydrophobicContact SD-CG2 4.29Å; M54-Y96 HydrophobicContact SD-CD2 4.48Å; M54-Y96 HydrophobicContact SD-CG 4.48Å; M54-L97 CarbonylContact C-O 3.54Å; M54-L97 VanDerWaalsContact CA-O 3.29Å; M54-L97 WeakPolarHBondContact CA-O 3.4Å; M54-V98 HydrophobicContact CB-CG2 4.35Å; M54-V98 HydrophobicContact CG-CG2 4.16Å
55K95.9Very high92.3Very high7 Ų757.1 Ų57.13%0.0330%0.303CS..EExtended strand (participates in β ladder)trans-93.3136.8170.8-166.8175.4-178.3-176.50109V39 V40 L66 E69 Y96 L97 M99 D168V39-K55 CarbonylContact O-C 3.51Å; V39-K55 WeakPolarHBondContact O-CA 3.44Å; V40-K55 HydrophobicContact CG2-CB 4.26Å; V40-K55 HydrophobicContact CG2-CD 4.4Å; V40-K55 HydrophobicContact CG2-CG 3.96Å; K55-L66 HydrophobicContact CB-CD2 4.07Å; K55-L66 HydrophobicContact CD-CD2 3.69Å; K55-L66 HydrophobicContact CG-CD2 3.79Å; K55-E69 WeakPolarHBondContact CD-OE2 3.26Å; K55-E69 WeakPolarHBondContact CE-OE2 3.31Å; K55-E69 IonicContact NZ-OE1 2.73Å; K55-E69 PolarHBondContact NZ-OE1 2.97Å; K55-E69 IonicContact NZ-OE2 3.68Å; K55-E69 PolarHBondContact NZ-OE2 2.77Å; K55-Y96 CarbonylContact O-C 3.44Å; K55-Y96 VanDerWaalsContact O-CA 3.32Å; K55-Y96 WeakPolarHBondContact O-CA 3.32Å; K55-L97 PolarHBondContact N-O 2.9Å; K55-L97 PolarHBondContact O-N 3.21Å; K55-M99 HydrophobicContact CB-CE 4.1Å; K55-D168 IonicContact NZ-OD1 3.82Å; K55-D168 PolarHBondContact NZ-OD1 3.46Å
56I94.9Very high92Very high0 Ų057.2 Ų57.20%030%0.303CS..EExtended strand (participates in β ladder)trans-127.5151.5176.467.3161.2000111.9L12 M16 G38 V39 F41 M54 V94 N95L12-I56 HydrophobicContact CB-CD1 4.15Å; L12-I56 HydrophobicContact CD2-CD1 4.28Å; M16-I56 HydrophobicContact CE-CD1 4.47Å; M16-I56 HydrophobicContact CE-CG2 4.41Å; M16-I56 HydrophobicContact CG-CD1 3.66Å; G38-I56 WeakPolarHBondContact CA-O 3.4Å; V39-I56 HydrophobicContact CG2-CD1 3.72Å; V39-I56 HydrophobicContact CG2-CG1 3.37Å; V39-I56 PolarHBondContact N-O 3.32Å; V39-I56 VanDerWaalsContact N-O 3.12Å; V39-I56 PolarHBondContact O-N 2.89Å; F41-I56 HydrophobicContact CD2-CG1 4.46Å; F41-I56 HydrophobicContact CE2-CD1 3.74Å; F41-I56 HydrophobicContact CE2-CG1 3.88Å; M54-I56 HydrophobicContact CE-CG2 4Å; M54-I56 HydrophobicContact CG-CG2 4.07Å; M54-I56 HydrophobicContact SD-CG2 4.29Å; I56-V94 HydrophobicContact CB-CB 4.4Å; I56-V94 HydrophobicContact CB-CG2 4.49Å; I56-V94 HydrophobicContact CD1-CG1 4.28Å; I56-V94 HydrophobicContact CG2-CG2 4.5Å; I56-N95 VanDerWaalsContact CA-O 3.28Å; I56-N95 WeakPolarHBondContact CA-O 3.38Å
57E92.7Very high91.7Very high11 Ų1161.7 Ų61.75%0.05132%0.315CS..EExtended strand (participates in β ladder)trans-139.2160.816970.5-173.8-172.900108.8A59 I65 L66 V94 N95E57-A59 PolarHBondContact O-N 3.19Å; E57-I65 WeakPolarHBondContact OE2-CB 3.39Å; E57-L66 HydrophobicContact CB-CD1 4.25Å; E57-L66 HydrophobicContact CB-CG 4.31Å; E57-L66 HydrophobicContact CG-CB 4.29Å; E57-L66 HydrophobicContact CG-CD1 3.73Å; E57-L66 HydrophobicContact CG-CG 3.78Å; E57-L66 PolarHBondContact OE1-N 2.9Å; E57-L66 WeakPolarHBondContact OE2-CG 3.42Å; E57-L66 PolarHBondContact OE2-N 3.43Å; E57-L66 VanDerWaalsContact OE2-N 3.1Å; E57-V94 CarbonylContact O-C 3.53Å; E57-V94 WeakPolarHBondContact O-CA 3.31Å; E57-V94 WeakPolarHBondContact O-CB 3.37Å; E57-N95 HydrophobicContact CG-CB 3.91Å; E57-N95 PolarHBondContact N-O 2.73Å; E57-N95 VanDerWaalsContact N-O 3.13Å; E57-N95 PolarHBondContact O-N 3.05Å; E57-N95 PolarHBondContact OE1-ND2 2.88Å; E57-N95 VanDerWaalsContact OE1-ND2 3.09Å
58L91.1Very high91.6Very high42 Ų4258.1 Ų58.122%0.2230%0.298CS..EExtended strand (participates in β ladder)trans-62.6134.9170.7-78.4-171.3000110.8A7 Y11 L12 L15 T60 S63 V94A7-L58 HydrophobicContact CB-CD1 3.24Å; A7-L58 HydrophobicContact CB-CD2 4.33Å; A7-L58 HydrophobicContact CB-CG 3.6Å; Y11-L58 HydrophobicContact CD1-CD2 4.32Å; Y11-L58 HydrophobicContact CE1-CD2 3.98Å; L12-L58 HydrophobicContact CD2-CD2 3.78Å; L12-L58 HydrophobicContact CD2-CG 3.91Å; L15-L58 HydrophobicContact CD1-CD2 4.29Å; L58-T60 HydrophobicContact CB-CG2 4.43Å; L58-T60 PolarHBondContact O-N 3.08Å; L58-S63 PolarHBondContact O-OG 3.49Å; L58-V94 HydrophobicContact CD2-CG1 4.31Å
59A89.9Confident91.5Very high41 Ų4154.4 Ų54.434%0.33928%0.278SS..  trans-75.8106.4170.200000109.3E57 V90 K93E57-A59 PolarHBondContact O-N 3.19Å; A59-V90 HydrophobicContact CB-CG1 4.43Å; A59-K93 WeakPolarHBondContact CB-O 3.44Å; A59-K93 PolarHBondContact N-O 2.88Å
60T86.4Confident91.5Very high62 Ų6248.7 Ų48.738%0.3825%0.253SS..  trans-118162.116967.30000109.5L58 D62 S63L58-T60 HydrophobicContact CB-CG2 4.43Å; L58-T60 PolarHBondContact O-N 3.08Å; T60-D62 PolarHBondContact O-N 2.98Å; T60-S63 PolarHBondContact N-OG 2.99Å; T60-S63 VanDerWaalsContact O-CB 3.25Å; T60-S63 WeakPolarHBondContact O-CB 3.38Å; T60-S63 PolarHBondContact O-N 3.33Å; T60-S63 VanDerWaalsContact O-N 3.08Å; T60-S63 PolarHBondContact O-OG 3.42Å; T60-S63 VanDerWaalsContact O-OG 3.12Å; T60-S63 PolarHBondContact OG1-N 3.3Å; T60-S63 PolarHBondContact OG1-OG 3.17Å
61E78.4Confident91.4Very high190 Ų19050.2 Ų50.289%0.88826%0.255SS*.THydrogen-bonded Turntrans-57.9-35.3178-66.1-172.7165.300112.1S63E61-S63 VanDerWaalsContact C-N 3.34Å; E61-S63 PolarHBondContact O-N 2.99Å
62D79.5Confident91.4Very high141 Ų14147.3 Ų47.375%0.75424%0.239SC*.THydrogen-bonded Turntrans-90.111.4179.3-62.5-43.9000114.1T60 L64T60-D62 PolarHBondContact O-N 2.98Å; D62-L64 WeakPolarHBondContact O-CG 3.46Å; D62-L64 PolarHBondContact O-N 3.46Å
63S78.4Confident91.4Very high9 Ų945.7 Ų45.76%0.06323%0.233CC..  trans-67.996.9179.8-69.70000111.8L58 T60 E61 R67 N95L58-S63 PolarHBondContact O-OG 3.49Å; T60-S63 PolarHBondContact N-OG 2.99Å; T60-S63 VanDerWaalsContact O-CB 3.25Å; T60-S63 WeakPolarHBondContact O-CB 3.38Å; T60-S63 PolarHBondContact O-N 3.33Å; T60-S63 VanDerWaalsContact O-N 3.08Å; T60-S63 PolarHBondContact O-OG 3.42Å; T60-S63 VanDerWaalsContact O-OG 3.12Å; T60-S63 PolarHBondContact OG1-N 3.3Å; T60-S63 PolarHBondContact OG1-OG 3.17Å; E61-S63 VanDerWaalsContact C-N 3.34Å; E61-S63 PolarHBondContact O-N 2.99Å; S63-R67 WeakPolarHBondContact O-CD 3.45Å; S63-N95 WeakPolarHBondContact CB-ND2 3.4Å
64L86.3Confident91.4Very high109 Ų10949.9 Ų49.957%0.57125%0.25SC*.  trans-107.9-12.7-179.6-65.4176.4000113.2D62 T68D62-L64 WeakPolarHBondContact O-CG 3.46Å; D62-L64 PolarHBondContact O-N 3.46Å; L64-T68 VanDerWaalsContact O-CB 3.25Å; L64-T68 WeakPolarHBondContact O-CB 3.38Å; L64-T68 PolarHBondContact O-N 3.45Å; L64-T68 PolarHBondContact O-OG1 3.25Å
65I90.1Very high91.3Very high48 Ų4855.9 Ų55.925%0.24628%0.276CS..Hα-helixtrans-74.7-60-165.8-64.1172.8000110.9F37 E57 R67 T68 E69F37-I65 HydrophobicContact CB-CD1 3.75Å; F37-I65 HydrophobicContact CB-CG2 3.8Å; F37-I65 HydrophobicContact CD1-CD1 3.5Å; F37-I65 VanDerWaalsContact CD1-CD1 3.5Å; F37-I65 HydrophobicContact CD2-CD1 4.17Å; F37-I65 HydrophobicContact CD2-CG2 3.79Å; F37-I65 HydrophobicContact CE1-CD1 4.14Å; F37-I65 HydrophobicContact CG-CD1 3.52Å; F37-I65 HydrophobicContact CG-CG2 3.93Å; E57-I65 WeakPolarHBondContact OE2-CB 3.39Å; I65-R67 PolarHBondContact O-N 3.03Å; I65-T68 WeakPolarHBondContact O-CB 3.27Å; I65-T68 PolarHBondContact O-N 3.38Å; I65-T68 VanDerWaalsContact O-N 3.09Å; I65-E69 PolarHBondContact O-N 2.89Å
66L92.2Very high91.4Very high4 Ų456 Ų562%0.02128%0.277CS..Hα-helixtrans-62.7-29.4174.9-77.5-169.4000113.2K55 E57 E69 S70 N95 L97K55-L66 HydrophobicContact CB-CD2 4.07Å; K55-L66 HydrophobicContact CD-CD2 3.69Å; K55-L66 HydrophobicContact CG-CD2 3.79Å; E57-L66 HydrophobicContact CB-CD1 4.25Å; E57-L66 HydrophobicContact CB-CG 4.31Å; E57-L66 HydrophobicContact CG-CB 4.29Å; E57-L66 HydrophobicContact CG-CD1 3.73Å; E57-L66 HydrophobicContact CG-CG 3.78Å; E57-L66 PolarHBondContact OE1-N 2.9Å; E57-L66 WeakPolarHBondContact OE2-CG 3.42Å; E57-L66 PolarHBondContact OE2-N 3.43Å; E57-L66 VanDerWaalsContact OE2-N 3.1Å; L66-E69 WeakPolarHBondContact CD2-OE2 3.47Å; L66-E69 PolarHBondContact O-N 3.16Å; L66-S70 VanDerWaalsContact O-CB 3.31Å; L66-S70 WeakPolarHBondContact O-CB 3.35Å; L66-S70 PolarHBondContact O-N 3.36Å; L66-S70 PolarHBondContact O-OG 3.3Å; L66-N95 HydrophobicContact CD1-CB 4.06Å; L66-N95 WeakPolarHBondContact CD1-O 3.41Å; L66-L97 HydrophobicContact CD1-CB 4.44Å; L66-L97 HydrophobicContact CD2-CB 4.11Å; L66-L97 HydrophobicContact CD2-CD2 4.29Å
67R92Very high91.5Very high140 Ų14065.1 Ų65.153%0.52831%0.311SS..Hα-helixtrans-63.2-44.9173.3-69.1-174.7179.41701.9111.3S63 I65 S70 F71S63-R67 WeakPolarHBondContact O-CD 3.45Å; I65-R67 PolarHBondContact O-N 3.03Å; R67-S70 PolarHBondContact O-N 3.21Å; R67-F71 WeakPolarHBondContact O-CB 3.34Å; R67-F71 PolarHBondContact O-N 3.45Å
68T93.6Very high91.6Very high48 Ų4871.6 Ų71.629%0.29435%0.346SS..Hα-helixtrans-64.7-44.6176.5-60.90000110.9L64 I65 S70 F71 V72 V172L64-T68 VanDerWaalsContact O-CB 3.25Å; L64-T68 WeakPolarHBondContact O-CB 3.38Å; L64-T68 PolarHBondContact O-N 3.45Å; L64-T68 PolarHBondContact O-OG1 3.25Å; I65-T68 WeakPolarHBondContact O-CB 3.27Å; I65-T68 PolarHBondContact O-N 3.38Å; I65-T68 VanDerWaalsContact O-N 3.09Å; T68-S70 PolarHBondContact O-N 3.19Å; T68-F71 WeakPolarHBondContact O-CB 3.29Å; T68-F71 PolarHBondContact O-N 2.95Å; T68-F71 VanDerWaalsContact O-N 3.14Å; T68-V72 PolarHBondContact O-N 3.25Å; T68-V172 HydrophobicContact CG2-CG1 3.28Å
69E95.3Very high91.8Very high5 Ų570.6 Ų70.62%0.02334%0.343CS..Hα-helixtrans-61-44.7177.6-162.8167.3-17200111.9K55 I65 L66 F71 V72 L73 L97 F169K55-E69 WeakPolarHBondContact CD-OE2 3.26Å; K55-E69 WeakPolarHBondContact CE-OE2 3.31Å; K55-E69 IonicContact NZ-OE1 2.73Å; K55-E69 PolarHBondContact NZ-OE1 2.97Å; K55-E69 IonicContact NZ-OE2 3.68Å; K55-E69 PolarHBondContact NZ-OE2 2.77Å; I65-E69 PolarHBondContact O-N 2.89Å; L66-E69 WeakPolarHBondContact CD2-OE2 3.47Å; L66-E69 PolarHBondContact O-N 3.16Å; E69-F71 VanDerWaalsContact C-N 3.31Å; E69-F71 PolarHBondContact O-N 3.42Å; E69-V72 PolarHBondContact O-N 3.33Å; E69-L73 WeakPolarHBondContact O-CG 3.45Å; E69-L73 PolarHBondContact O-N 3.1Å; E69-L97 HydrophobicContact CB-CD2 4.04Å; E69-L97 HydrophobicContact CG-CD2 3.77Å; E69-F169 HydrophobicContact CB-CB 4.5Å; E69-F169 HydrophobicContact CG-CB 4.16Å; E69-F169 HydrophobicContact CG-CD2 3.89Å
70S95.6Very high92.1Very high3 Ų372.7 Ų72.72%0.02136%0.355CS..Hα-helixtrans-59.4-41.4173.7-58.80000112L66 R67 T68 K74 N88L66-S70 VanDerWaalsContact O-CB 3.31Å; L66-S70 WeakPolarHBondContact O-CB 3.35Å; L66-S70 PolarHBondContact O-N 3.36Å; L66-S70 PolarHBondContact O-OG 3.3Å; R67-S70 PolarHBondContact O-N 3.21Å; T68-S70 PolarHBondContact O-N 3.19Å; S70-K74 WeakPolarHBondContact O-CB 3.29Å; S70-K74 VanDerWaalsContact O-CG 3.24Å; S70-K74 WeakPolarHBondContact O-CG 3.45Å; S70-K74 PolarHBondContact O-N 3.41Å; S70-K74 VanDerWaalsContact O-N 3.08Å; S70-N88 WeakPolarHBondContact OG-CB 3.27Å
71F95.9Very high92.6Very high91 Ų9170.7 Ų70.740%0.39934%0.341SS..Hα-helixtrans-65.4-44.1178.8-179.5-108.9000112R67 T68 E69 K74 K75 F142R67-F71 WeakPolarHBondContact O-CB 3.34Å; R67-F71 PolarHBondContact O-N 3.45Å; T68-F71 WeakPolarHBondContact O-CB 3.29Å; T68-F71 PolarHBondContact O-N 2.95Å; T68-F71 VanDerWaalsContact O-N 3.14Å; E69-F71 VanDerWaalsContact C-N 3.31Å; E69-F71 PolarHBondContact O-N 3.42Å; F71-K74 PolarHBondContact O-N 3.46Å; F71-K75 HydrophobicContact CZ-CG 4.46Å; F71-K75 WeakPolarHBondContact O-CG 3.43Å; F71-K75 PolarHBondContact O-N 2.98Å; F71-K75 VanDerWaalsContact O-N 3.13Å; F71-F142 HydrophobicContact CD1-CE1 4.15Å; F71-F142 AromaticContact CD1-CZ 3.89Å; F71-F142 HydrophobicContact CD1-CZ 3.89Å; F71-F142 AromaticContact CE1-CE1 3.98Å; F71-F142 HydrophobicContact CE1-CE1 3.98Å; F71-F142 AromaticContact CE1-CZ 3.55Å; F71-F142 HydrophobicContact CE1-CZ 3.55Å
72V97.4Very high93.5Very high0 Ų062 Ų620%030%0.301CS..Hα-helixtrans-63.5-50.8176.4173.70000110.7T68 E69 K74 K75 M76 L137 F142 F169 V172T68-V72 PolarHBondContact O-N 3.25Å; E69-V72 PolarHBondContact O-N 3.33Å; V72-K74 VanDerWaalsContact C-N 3.29Å; V72-K74 PolarHBondContact O-N 3.22Å; V72-K75 CarbonylContact O-C 3.45Å; V72-K75 WeakPolarHBondContact O-CA 3.43Å; V72-K75 WeakPolarHBondContact O-CB 3.42Å; V72-K75 PolarHBondContact O-N 2.61Å; V72-M76 HydrophobicContact CG1-CG 3.97Å; V72-M76 VanDerWaalsContact O-CG 3.31Å; V72-M76 WeakPolarHBondContact O-CG 3.44Å; V72-M76 PolarHBondContact O-N 2.89Å; V72-L137 HydrophobicContact CG1-CD1 3.75Å; V72-F142 HydrophobicContact CG2-CD1 4.09Å; V72-F142 HydrophobicContact CG2-CE1 4.05Å; V72-F142 HydrophobicContact CG2-CG 4.38Å; V72-F142 HydrophobicContact CG2-CZ 4.31Å; V72-F169 HydrophobicContact CB-CB 4.23Å; V72-F169 HydrophobicContact CB-CD2 4.27Å; V72-F169 HydrophobicContact CB-CG 4.12Å; V72-F169 HydrophobicContact CG1-CB 4.31Å; V72-F169 HydrophobicContact CG1-CD1 3.9Å; V72-F169 HydrophobicContact CG1-CD2 3.95Å; V72-F169 HydrophobicContact CG1-CE1 4.27Å; V72-F169 HydrophobicContact CG1-CE2 4.34Å; V72-F169 HydrophobicContact CG1-CG 3.74Å; V72-F169 HydrophobicContact CG1-CZ 4.49Å; V72-F169 HydrophobicContact CG2-CB 4.31Å; V72-V172 HydrophobicContact CG2-CG1 3.82Å; V72-V172 HydrophobicContact CG2-CG2 4.32Å
73L97.8Very high94.4Very high1 Ų155.4 Ų55.41%0.00527%0.266CS..Hα-helixtrans-58.3-39.7179.8-70.3179.3000112.6E69 K75 M76 R77 C83 F85 L97 M99 F169E69-L73 WeakPolarHBondContact O-CG 3.45Å; E69-L73 PolarHBondContact O-N 3.1Å; L73-K75 VanDerWaalsContact C-N 3.31Å; L73-K75 PolarHBondContact O-N 3.19Å; L73-M76 CarbonylContact O-C 3.57Å; L73-M76 PolarHBondContact O-N 3.39Å; L73-R77 PolarHBondContact O-N 3.49Å; L73-C83 HydrophobicContact CD2-CB 4.35Å; L73-C83 WeakPolarHBondContact CD2-O 3.5Å; L73-F85 HydrophobicContact CB-CB 4Å; L73-L97 HydrophobicContact CD1-CD1 4.32Å; L73-L97 HydrophobicContact CD1-CD2 3.94Å; L73-M99 HydrophobicContact CD1-CB 4.23Å; L73-M99 HydrophobicContact CD1-SD 4Å; L73-F169 HydrophobicContact CD2-CD2 4.18Å; L73-F169 HydrophobicContact CD2-CE2 3.53Å; L73-F169 HydrophobicContact CD2-CZ 4.47Å; L73-F169 HydrophobicContact CG-CD2 4.3Å; L73-F169 HydrophobicContact CG-CE2 4.14Å
74K97.6Very high95.3Very high95 Ų9561.3 Ų61.341%0.41329%0.292SS..Hα-helixtrans-61.8-37.4173.7-74.8172.3-174.5174.20112.5S70 F71 V72 F85 N88S70-K74 WeakPolarHBondContact O-CB 3.29Å; S70-K74 VanDerWaalsContact O-CG 3.24Å; S70-K74 WeakPolarHBondContact O-CG 3.45Å; S70-K74 PolarHBondContact O-N 3.41Å; S70-K74 VanDerWaalsContact O-N 3.08Å; F71-K74 PolarHBondContact O-N 3.46Å; V72-K74 VanDerWaalsContact C-N 3.29Å; V72-K74 PolarHBondContact O-N 3.22Å; K74-F85 HydrophobicContact CD-CD1 4.49Å; K74-F85 HydrophobicContact CD-CE1 4.41Å; K74-F85 HydrophobicContact CD-CE2 4.47Å; K74-F85 HydrophobicContact CD-CZ 4.41Å; K74-F85 HydrophobicContact CG-CB 4.31Å; K74-F85 HydrophobicContact CG-CD1 3.89Å; K74-F85 HydrophobicContact CG-CD2 4.04Å; K74-F85 HydrophobicContact CG-CE1 4.29Å; K74-F85 HydrophobicContact CG-CE2 4.42Å; K74-F85 HydrophobicContact CG-CG 3.77Å; K74-N88 PolarHBondContact NZ-OD1 3.3Å; K74-N88 VanDerWaalsContact NZ-OD1 3.09Å
75K96.8Very high95.8Very high126 Ų12658.6 Ų58.655%0.54828%0.276SS..Hα-helixtrans-70.5-33.2174.9-73.1-70.8-175.7179.10112.4F71 V72 L73 F142F71-K75 HydrophobicContact CZ-CG 4.46Å; F71-K75 WeakPolarHBondContact O-CG 3.43Å; F71-K75 PolarHBondContact O-N 2.98Å; F71-K75 VanDerWaalsContact O-N 3.13Å; V72-K75 CarbonylContact O-C 3.45Å; V72-K75 WeakPolarHBondContact O-CA 3.43Å; V72-K75 WeakPolarHBondContact O-CB 3.42Å; V72-K75 PolarHBondContact O-N 2.61Å; L73-K75 VanDerWaalsContact C-N 3.31Å; L73-K75 PolarHBondContact O-N 3.19Å; K75-F142 HydrophobicContact CB-CE2 4.32Å; K75-F142 HydrophobicContact CG-CE2 4.28Å; K75-F142 HydrophobicContact CG-CZ 4.44Å
76M97.8Very high96.2Very high10 Ų1058.4 Ų58.45%0.04928%0.275CS..THydrogen-bonded Turntrans-89.67.3-176.6-59.3-45.1-66.100114.7V72 L73 N78 S79 F82 D136 L137 A140V72-M76 HydrophobicContact CG1-CG 3.97Å; V72-M76 VanDerWaalsContact O-CG 3.31Å; V72-M76 WeakPolarHBondContact O-CG 3.44Å; V72-M76 PolarHBondContact O-N 2.89Å; L73-M76 CarbonylContact O-C 3.57Å; L73-M76 PolarHBondContact O-N 3.39Å; M76-N78 PolarHBondContact O-N 3.06Å; M76-S79 PolarHBondContact O-N 2.93Å; M76-F82 HydrophobicContact CB-CB 3.84Å; M76-F82 HydrophobicContact CB-CD1 3.69Å; M76-F82 HydrophobicContact CB-CD2 3.96Å; M76-F82 HydrophobicContact CB-CE1 4.29Å; M76-F82 HydrophobicContact CB-CG 3.53Å; M76-F82 HydrophobicContact CE-CD2 3.82Å; M76-F82 HydrophobicContact CE-CE1 4.19Å; M76-F82 HydrophobicContact CE-CE2 3.39Å; M76-F82 HydrophobicContact CE-CG 4.42Å; M76-F82 HydrophobicContact CE-CZ 3.62Å; M76-F82 HydrophobicContact CG-CD1 3.63Å; M76-F82 HydrophobicContact CG-CD2 4.29Å; M76-F82 HydrophobicContact CG-CE1 3.75Å; M76-F82 HydrophobicContact CG-CE2 4.41Å; M76-F82 HydrophobicContact CG-CG 3.95Å; M76-F82 HydrophobicContact CG-CZ 4.17Å; M76-D136 VanDerWaalsContact CE-C 3.4Å; M76-D136 HydrophobicContact CE-CB 3.67Å; M76-D136 WeakPolarHBondContact CE-O 3.32Å; M76-L137 HydrophobicContact SD-CD1 4.48Å; M76-A140 HydrophobicContact CE-CB 4.41Å; M76-A140 HydrophobicContact SD-CB 3.43Å; M76-A140 WeakPolarHBondContact SD-CB 3.42Å
77R96.1Very high96.4Very high192 Ų19260.2 Ų60.273%0.72528%0.283SS*.THydrogen-bonded Turntrans-52.2-21-174.670.5177.6-174.5-179.7-0.2116.7L73L73-R77 PolarHBondContact O-N 3.49Å
78N94.9Very high96.6Very high146 Ų14656.4 Ų56.478%0.78127%0.273SS*.THydrogen-bonded Turntrans-100.3-3.5-178.2-67.9-17.7000113.3M76M76-N78 PolarHBondContact O-N 3.06Å
79S96.1Very high96.7Very high21 Ų2155.1 Ų55.115%0.14727%0.27CS..  trans-91.5138.5176.7174.50000110.3M76 H81 F82 D136M76-S79 PolarHBondContact O-N 2.93Å; S79-H81 PolarHBondContact O-N 3.17Å; S79-H81 PolarHBondContact OG-N 3.39Å; S79-F82 VanDerWaalsContact OG-CD2 3.27Å; S79-F82 WeakPolarHBondContact OG-CD2 3.49Å; S79-D136 WeakPolarHBondContact CB-OD2 3.43Å; S79-D136 PolarHBondContact OG-OD2 2.87Å
80S95.5Very high96.7Very high86 Ų8659.1 Ų59.160%0.60130%0.295SS*.THydrogen-bonded Turntrans-72.8-9173.847.10000113.7
81H97.6Very high96.6Very high20 Ų2062.1 Ų62.19%0.09331%0.308CS..THydrogen-bonded Turntrans-98.410.1-174.8-59.4-63.7000114S79 A133 D136 I164 Y165 L166S79-H81 PolarHBondContact O-N 3.17Å; S79-H81 PolarHBondContact OG-N 3.39Å; H81-A133 HydrophobicContact CB-CB 3.52Å; H81-D136 IonicContact CD2-OD2 2.98Å; H81-I164 WeakPolarHBondContact CA-O 3.47Å; H81-I164 PolarHBondContact ND1-O 3.34Å; H81-I164 VanDerWaalsContact ND1-O 3.16Å; H81-Y165 CarbonylContact O-C 3.57Å; H81-Y165 VanDerWaalsContact O-CA 3.29Å; H81-Y165 WeakPolarHBondContact O-CA 3.43Å; H81-L166 PolarHBondContact O-N 3.31Å
82F98Very high96.4Very high7 Ų761.2 Ų61.23%0.03132%0.324CS..SBendtrans-132.5146-174.8-66.4-101000110.2M76 S79 A133 D136 L137 L166 F169M76-F82 HydrophobicContact CB-CB 3.84Å; M76-F82 HydrophobicContact CB-CD1 3.69Å; M76-F82 HydrophobicContact CB-CD2 3.96Å; M76-F82 HydrophobicContact CB-CE1 4.29Å; M76-F82 HydrophobicContact CB-CG 3.53Å; M76-F82 HydrophobicContact CE-CD2 3.82Å; M76-F82 HydrophobicContact CE-CE1 4.19Å; M76-F82 HydrophobicContact CE-CE2 3.39Å; M76-F82 HydrophobicContact CE-CG 4.42Å; M76-F82 HydrophobicContact CE-CZ 3.62Å; M76-F82 HydrophobicContact CG-CD1 3.63Å; M76-F82 HydrophobicContact CG-CD2 4.29Å; M76-F82 HydrophobicContact CG-CE1 3.75Å; M76-F82 HydrophobicContact CG-CE2 4.41Å; M76-F82 HydrophobicContact CG-CG 3.95Å; M76-F82 HydrophobicContact CG-CZ 4.17Å; S79-F82 VanDerWaalsContact OG-CD2 3.27Å; S79-F82 WeakPolarHBondContact OG-CD2 3.49Å; F82-A133 WeakPolarHBondContact CZ-O 3.26Å; F82-D136 HydrophobicContact CE2-CB 3.98Å; F82-L137 HydrophobicContact CE1-CD1 4.13Å; F82-L137 HydrophobicContact CZ-CB 3.99Å; F82-L137 HydrophobicContact CZ-CD1 4.4Å; F82-L166 HydrophobicContact CE1-CB 4.41Å; F82-L166 HydrophobicContact CE1-CD2 4.37Å; F82-L166 HydrophobicContact CZ-CB 4.47Å; F82-L166 HydrophobicContact CZ-CD2 4.2Å; F82-F169 HydrophobicContact CD1-CE1 4.04Å; F82-F169 HydrophobicContact CD1-CE2 4.1Å; F82-F169 AromaticContact CD1-CZ 3.37Å; F82-F169 HydrophobicContact CD1-CZ 3.37Å; F82-F169 AromaticContact CE1-CE1 3.6Å; F82-F169 HydrophobicContact CE1-CE1 3.6Å; F82-F169 HydrophobicContact CE1-CE2 4.48Å; F82-F169 AromaticContact CE1-CZ 3.44Å; F82-F169 HydrophobicContact CE1-CZ 3.44Å; F82-F169 VanDerWaalsContact CE1-CZ 3.44Å
83C97.2Very high96Very high3 Ų368 Ų682%0.0235%0.354CS..PPolyproline II helixtrans-60.9144172.7-65.40000110.5L73 F85 M99 S100 V102 L167L73-C83 HydrophobicContact CD2-CB 4.35Å; L73-C83 WeakPolarHBondContact CD2-O 3.5Å; C83-F85 PolarHBondContact O-N 3.13Å; C83-M99 HydrophobicContact CB-CB 4.02Å; C83-M99 HydrophobicContact CB-CG 4.1Å; C83-M99 HydrophobicContact CB-SD 3.92Å; C83-S100 VanDerWaalsContact CA-OG 3.25Å; C83-S100 WeakPolarHBondContact CA-OG 3.41Å; C83-S100 WeakPolarHBondContact CB-OG 3.4Å; C83-V102 WeakPolarHBondContact SG-CG1 3.24Å; C83-L167 WeakPolarHBondContact SG-CD2 3.4Å
84Q96.9Very high95.8Very high133 Ų13368.1 Ų68.162%0.62136%0.355SS*.PPolyproline II helixtrans-71.1125.8172.3-64.2-176.9-500109.1I86 M99 S100Q84-I86 HydrophobicContact CB-CD1 4.42Å; Q84-M99 CarbonylContact O-C 3.52Å; Q84-M99 WeakPolarHBondContact O-CA 3.16Å; Q84-M99 WeakPolarHBondContact O-CB 3.43Å; Q84-S100 PolarHBondContact N-OG 3.11Å; Q84-S100 PolarHBondContact O-N 2.78Å
85F98Very high95.7Very high51 Ų5164.2 Ų64.222%0.22434%0.338CS..EExtended strand (participates in β ladder)trans-66.6128.8168.2172.7-89000109.4L73 K74 C83 E87 N88 L97L73-F85 HydrophobicContact CB-CB 4Å; K74-F85 HydrophobicContact CD-CD1 4.49Å; K74-F85 HydrophobicContact CD-CE1 4.41Å; K74-F85 HydrophobicContact CD-CE2 4.47Å; K74-F85 HydrophobicContact CD-CZ 4.41Å; K74-F85 HydrophobicContact CG-CB 4.31Å; K74-F85 HydrophobicContact CG-CD1 3.89Å; K74-F85 HydrophobicContact CG-CD2 4.04Å; K74-F85 HydrophobicContact CG-CE1 4.29Å; K74-F85 HydrophobicContact CG-CE2 4.42Å; K74-F85 HydrophobicContact CG-CG 3.77Å; C83-F85 PolarHBondContact O-N 3.13Å; F85-E87 VanDerWaalsContact CZ-C 3.43Å; F85-E87 VanDerWaalsContact CZ-CA 3.48Å; F85-N88 HydrophobicContact CE2-CB 3.94Å; F85-N88 HydrophobicContact CZ-CB 4.23Å; F85-N88 WeakPolarHBondContact CZ-OD1 3.36Å; F85-L97 HydrophobicContact CD2-CD1 3.67Å; F85-L97 HydrophobicContact CE2-CD1 3.68Å
86I97.7Very high95.7Very high45 Ų4558.5 Ų58.523%0.23131%0.313CS..EExtended strand (participates in β ladder)trans-107.2-60176-52.8-59000110.2W26 Y52 Q84 V98W26-I86 HydrophobicContact CH2-CG2 3.55Å; W26-I86 HydrophobicContact CZ2-CG2 3.91Å; Y52-I86 HydrophobicContact CD1-CD1 4.12Å; Y52-I86 HydrophobicContact CD1-CG1 3.69Å; Y52-I86 HydrophobicContact CE1-CD1 3.63Å; Y52-I86 HydrophobicContact CE1-CG1 3.71Å; Q84-I86 HydrophobicContact CB-CD1 4.42Å; I86-V98 HydrophobicContact CB-CB 4.21Å; I86-V98 HydrophobicContact CB-CG1 4.01Å; I86-V98 WeakPolarHBondContact CB-O 3.21Å; I86-V98 HydrophobicContact CG1-CG1 4.36Å; I86-V98 HydrophobicContact CG2-CG1 4.26Å; I86-V98 PolarHBondContact N-O 3.43Å
87E97Very high95.6Very high41 Ų4158 Ų5819%0.19231%0.311CS..EExtended strand (participates in β ladder)trans-157.4155.7-176.3-170.917298.300110.5N23 R25 W26 F85 Y96 V98N23-E87 PolarHBondContact ND2-OE1 2.89Å; R25-E87 IonicContact NH1-OE2 2.68Å; R25-E87 PolarHBondContact NH1-OE2 3.16Å; W26-E87 HydrophobicContact CZ2-CB 4.19Å; W26-E87 PolarHBondContact NE1-OE1 3.07Å; F85-E87 VanDerWaalsContact CZ-C 3.43Å; F85-E87 VanDerWaalsContact CZ-CA 3.48Å; E87-Y96 HydrophobicContact CG-CE2 4.44Å; E87-Y96 PolarHBondContact OE1-OH 3.16Å; E87-Y96 VanDerWaalsContact OE1-OH 3.11Å; E87-V98 PolarHBondContact N-O 3.19Å; E87-V98 PolarHBondContact O-N 3.37Å
88N96.5Very high95.7Very high60 Ų6048.9 Ų48.932%0.32128%0.277SS..EExtended strand (participates in β ladder)trans-141151.6165.172.7-59.9000109.6S70 K74 F85 Y96 L97S70-N88 WeakPolarHBondContact OG-CB 3.27Å; K74-N88 PolarHBondContact NZ-OD1 3.3Å; K74-N88 VanDerWaalsContact NZ-OD1 3.09Å; F85-N88 HydrophobicContact CE2-CB 3.94Å; F85-N88 HydrophobicContact CZ-CB 4.23Å; F85-N88 WeakPolarHBondContact CZ-OD1 3.36Å; N88-Y96 CarbonylContact C-O 3.57Å; N88-Y96 WeakPolarHBondContact CA-O 3.35Å; N88-Y96 WeakPolarHBondContact CB-O 3.42Å; N88-L97 HydrophobicContact CB-CD1 4.27Å
89G95.4Very high95.8Very high22 Ų2242.6 Ų42.623%0.22724%0.243CC..EExtended strand (participates in β ladder)trans-170.5-167.6-178.700000112.8N95 Y96G89-N95 WeakPolarHBondContact O-CA 3.29Å; G89-Y96 VanDerWaalsContact C-CD1 3.48Å; G89-Y96 VanDerWaalsContact CA-CE1 3.5Å; G89-Y96 PolarHBondContact N-O 2.56Å; G89-Y96 WeakPolarHBondContact O-CD1 3.49Å; G89-Y96 PolarHBondContact O-N 2.77Å
90V94.2Very high95.9Very high89 Ų8942.7 Ų42.754%0.53924%0.243SC..EExtended strand (participates in β ladder)trans-119.7134.6175.4-174.80000107.8A59 V94A59-V90 HydrophobicContact CB-CG1 4.43Å; V90-V94 WeakPolarHBondContact CA-O 3.36Å
91H93.7Very high95.9Very high65 Ų6540.8 Ų40.830%0.30123%0.226SC..EExtended strand (participates in β ladder)trans-136.6114.8174.6-175.882.1000109.7V22 N23 K93 V94 Y96V22-H91 HydrophobicContact CG1-CB 3.74Å; N23-H91 PolarHBondContact N-ND1 2.87Å; H91-K93 PolarHBondContact O-N 2.72Å; H91-K93 VanDerWaalsContact O-N 3.08Å; H91-V94 PolarHBondContact N-O 3.44Å; H91-V94 WeakPolarHBondContact O-CG2 3.45Å; H91-V94 PolarHBondContact O-N 3.42Å; H91-V94 VanDerWaalsContact O-N 3.09Å; H91-Y96 HydrophobicContact CB-CD1 3.97Å; H91-Y96 HydrophobicContact CB-CE1 4.07Å
92G91.7Very high95.9Very high72 Ų7241.2 Ų41.274%0.74223%0.23SC*.THydrogen-bonded Turntrans57-115-173.300000111.5
93K90.6Very high95.8Very high143 Ų14342.2 Ų42.262%0.62224%0.242SC*.THydrogen-bonded Turntrans-99.910.6-178-61.4-175.8-179.6-179.30114A59 H91A59-K93 WeakPolarHBondContact CB-O 3.44Å; A59-K93 PolarHBondContact N-O 2.88Å; H91-K93 PolarHBondContact O-N 2.72Å; H91-K93 VanDerWaalsContact O-N 3.08Å
94V93.1Very high95.7Very high3 Ų345 Ų452%0.01826%0.261CS..EExtended strand (participates in β ladder)trans-124.9144-175.8-600000112.3L12 L15 M16 I56 E57 L58 V90 H91L12-V94 HydrophobicContact CD2-CG1 4.08Å; L15-V94 HydrophobicContact CD1-CG1 3.65Å; M16-V94 HydrophobicContact CE-CG2 3.44Å; M16-V94 VanDerWaalsContact CE-CG2 3.44Å; I56-V94 HydrophobicContact CB-CB 4.4Å; I56-V94 HydrophobicContact CB-CG2 4.49Å; I56-V94 HydrophobicContact CD1-CG1 4.28Å; I56-V94 HydrophobicContact CG2-CG2 4.5Å; E57-V94 CarbonylContact O-C 3.53Å; E57-V94 WeakPolarHBondContact O-CA 3.31Å; E57-V94 WeakPolarHBondContact O-CB 3.37Å; L58-V94 HydrophobicContact CD2-CG1 4.31Å; V90-V94 WeakPolarHBondContact CA-O 3.36Å; H91-V94 PolarHBondContact N-O 3.44Å; H91-V94 WeakPolarHBondContact O-CG2 3.45Å; H91-V94 PolarHBondContact O-N 3.42Å; H91-V94 VanDerWaalsContact O-N 3.09Å
95N95Very high95.7Very high13 Ų1339.9 Ų39.97%0.0724%0.238CC..EExtended strand (participates in β ladder)trans-81.2144.6157.8-59.9-42.2000107.7I56 E57 S63 L66 G89I56-N95 VanDerWaalsContact CA-O 3.28Å; I56-N95 WeakPolarHBondContact CA-O 3.38Å; E57-N95 HydrophobicContact CG-CB 3.91Å; E57-N95 PolarHBondContact N-O 2.73Å; E57-N95 VanDerWaalsContact N-O 3.13Å; E57-N95 PolarHBondContact O-N 3.05Å; E57-N95 PolarHBondContact OE1-ND2 2.88Å; E57-N95 VanDerWaalsContact OE1-ND2 3.09Å; S63-N95 WeakPolarHBondContact CB-ND2 3.4Å; L66-N95 HydrophobicContact CD1-CB 4.06Å; L66-N95 WeakPolarHBondContact CD1-O 3.41Å; G89-N95 WeakPolarHBondContact O-CA 3.29Å
96Y95.9Very high95.7Very high7 Ų737.5 Ų37.53%0.02723%0.228CC..EExtended strand (participates in β ladder)trans-131.6151.2174.471.9-92.9000111.8V22 N23 M54 K55 E87 N88 G89 H91 V98V22-Y96 HydrophobicContact CG1-CD1 3.91Å; V22-Y96 HydrophobicContact CG1-CE1 4Å; V22-Y96 HydrophobicContact CG1-CG 4.2Å; N23-Y96 HydrophobicContact CB-CE1 4.38Å; N23-Y96 WeakPolarHBondContact CB-OH 3.47Å; N23-Y96 PolarHBondContact ND2-OH 3.18Å; M54-Y96 HydrophobicContact SD-CD2 4.48Å; M54-Y96 HydrophobicContact SD-CG 4.48Å; K55-Y96 CarbonylContact O-C 3.44Å; K55-Y96 VanDerWaalsContact O-CA 3.32Å; K55-Y96 WeakPolarHBondContact O-CA 3.32Å; E87-Y96 HydrophobicContact CG-CE2 4.44Å; E87-Y96 PolarHBondContact OE1-OH 3.16Å; E87-Y96 VanDerWaalsContact OE1-OH 3.11Å; N88-Y96 CarbonylContact C-O 3.57Å; N88-Y96 WeakPolarHBondContact CA-O 3.35Å; N88-Y96 WeakPolarHBondContact CB-O 3.42Å; G89-Y96 VanDerWaalsContact C-CD1 3.48Å; G89-Y96 VanDerWaalsContact CA-CE1 3.5Å; G89-Y96 PolarHBondContact N-O 2.56Å; G89-Y96 WeakPolarHBondContact O-CD1 3.49Å; G89-Y96 PolarHBondContact O-N 2.77Å; H91-Y96 HydrophobicContact CB-CD1 3.97Å; H91-Y96 HydrophobicContact CB-CE1 4.07Å; Y96-V98 HydrophobicContact CD2-CG2 3.93Å; Y96-V98 HydrophobicContact CE2-CG2 4.16Å
97L97Very high95.7Very high0 Ų036.4 Ų36.40%022%0.224CC..EExtended strand (participates in β ladder)trans-133.1120.4173.8165.461.8000108.5M54 K55 L66 E69 L73 F85 N88 M99M54-L97 CarbonylContact C-O 3.54Å; M54-L97 VanDerWaalsContact CA-O 3.29Å; M54-L97 WeakPolarHBondContact CA-O 3.4Å; K55-L97 PolarHBondContact N-O 2.9Å; K55-L97 PolarHBondContact O-N 3.21Å; L66-L97 HydrophobicContact CD1-CB 4.44Å; L66-L97 HydrophobicContact CD2-CB 4.11Å; L66-L97 HydrophobicContact CD2-CD2 4.29Å; E69-L97 HydrophobicContact CB-CD2 4.04Å; E69-L97 HydrophobicContact CG-CD2 3.77Å; L73-L97 HydrophobicContact CD1-CD1 4.32Å; L73-L97 HydrophobicContact CD1-CD2 3.94Å; F85-L97 HydrophobicContact CD2-CD1 3.67Å; F85-L97 HydrophobicContact CE2-CD1 3.68Å; N88-L97 HydrophobicContact CB-CD1 4.27Å; L97-M99 HydrophobicContact CD2-CE 3.83Å; L97-M99 HydrophobicContact CG-CE 4.08Å
98V98Very high95.6Very high0 Ų037.2 Ų37.20%023%0.23CC..EExtended strand (participates in β ladder)trans-99.7130173.4-172.70000109.6W26 V43 Y52 A53 M54 I86 E87 Y96W26-V98 HydrophobicContact CD2-CG1 4.25Å; W26-V98 HydrophobicContact CD2-CG2 3.93Å; W26-V98 HydrophobicContact CE3-CG1 4.07Å; W26-V98 HydrophobicContact CG-CG2 4.11Å; W26-V98 HydrophobicContact CH2-CG1 3.92Å; W26-V98 HydrophobicContact CZ2-CB 4.3Å; W26-V98 HydrophobicContact CZ2-CG1 4.07Å; W26-V98 HydrophobicContact CZ2-CG2 4.25Å; W26-V98 HydrophobicContact CZ3-CG1 3.9Å; V43-V98 HydrophobicContact CG2-CG1 4.34Å; Y52-V98 HydrophobicContact CG-CG1 4.13Å; A53-V98 CarbonylContact O-C 3.6Å; A53-V98 WeakPolarHBondContact O-CA 3.26Å; M54-V98 HydrophobicContact CB-CG2 4.35Å; M54-V98 HydrophobicContact CG-CG2 4.16Å; I86-V98 HydrophobicContact CB-CB 4.21Å; I86-V98 HydrophobicContact CB-CG1 4.01Å; I86-V98 WeakPolarHBondContact CB-O 3.21Å; I86-V98 HydrophobicContact CG1-CG1 4.36Å; I86-V98 HydrophobicContact CG2-CG1 4.26Å; I86-V98 PolarHBondContact N-O 3.43Å; E87-V98 PolarHBondContact N-O 3.19Å; E87-V98 PolarHBondContact O-N 3.37Å; Y96-V98 HydrophobicContact CD2-CG2 3.93Å; Y96-V98 HydrophobicContact CE2-CG2 4.16Å
99M97.8Very high95.6Very high14 Ų1435 Ų357%0.06922%0.219CC..EExtended strand (participates in β ladder)trans-142.6164.5-179.667.8-175.1108.700111.5Y52 A53 K55 L73 C83 Q84 L97 L101Y52-M99 WeakPolarHBondContact CB-O 3.27Å; A53-M99 HydrophobicContact CB-CG 4.11Å; A53-M99 PolarHBondContact N-O 2.79Å; A53-M99 PolarHBondContact O-N 2.85Å; K55-M99 HydrophobicContact CB-CE 4.1Å; L73-M99 HydrophobicContact CD1-CB 4.23Å; L73-M99 HydrophobicContact CD1-SD 4Å; C83-M99 HydrophobicContact CB-CB 4.02Å; C83-M99 HydrophobicContact CB-CG 4.1Å; C83-M99 HydrophobicContact CB-SD 3.92Å; Q84-M99 CarbonylContact O-C 3.52Å; Q84-M99 WeakPolarHBondContact O-CA 3.16Å; Q84-M99 WeakPolarHBondContact O-CB 3.43Å; L97-M99 HydrophobicContact CD2-CE 3.83Å; L97-M99 HydrophobicContact CG-CE 4.08Å; M99-L101 PolarHBondContact O-N 2.81Å
100S97Very high95.7Very high23 Ų2335 Ų3516%0.16121%0.211CC..EExtended strand (participates in β ladder)trans-54.1140173.460.60000111.8C83 Q84C83-S100 VanDerWaalsContact CA-OG 3.25Å; C83-S100 WeakPolarHBondContact CA-OG 3.41Å; C83-S100 WeakPolarHBondContact CB-OG 3.4Å; Q84-S100 PolarHBondContact N-OG 3.11Å; Q84-S100 PolarHBondContact O-N 2.78Å
101L96.7Very high95.7Very high46 Ų4637.2 Ų37.224%0.24121%0.21CC..  trans-73.2142.1177-171.165.5000111.2L32 K42 N51 A53 M99 A156L32-L101 HydrophobicContact CD1-CD1 3.66Å; K42-L101 HydrophobicContact CD-CD2 4.41Å; K42-L101 HydrophobicContact CG-CD2 4.43Å; N51-L101 HydrophobicContact CB-CD2 4.44Å; A53-L101 HydrophobicContact CB-CD1 3.97Å; M99-L101 PolarHBondContact O-N 2.81Å; L101-A156 HydrophobicContact CB-CB 4.48Å; L101-A156 HydrophobicContact CG-CB 4.24Å
102V96.6Very high95.8Very high28 Ų2838.2 Ų38.217%0.1722%0.221CC..EExtended strand (participates in β ladder)trans-122.4164.6174.5-66.30000110.7C83 C153 Y165 L167C83-V102 WeakPolarHBondContact SG-CG1 3.24Å; V102-C153 HydrophobicContact CB-CB 3.96Å; V102-C153 HydrophobicContact CG2-CB 3.76Å; V102-Y165 HydrophobicContact CG1-CD1 4.03Å; V102-Y165 HydrophobicContact CG1-CD2 3.8Å; V102-Y165 HydrophobicContact CG1-CE2 4.34Å; V102-Y165 HydrophobicContact CG1-CG 3.63Å; V102-L167 HydrophobicContact CG2-CD1 3.89Å; V102-L167 HydrophobicContact CG2-CD2 4.29Å
103G95.9Very high95.9Very high28 Ų2835.5 Ų35.529%0.28919%0.19SC..EExtended strand (participates in β ladder)trans-83.4-157.1179.200000113.1I154G103-I154 WeakPolarHBondContact CA-O 3.47Å; G103-I154 PolarHBondContact N-O 2.82Å
104S95.5Very high95.8Very high61 Ų6138.3 Ų38.343%0.42720%0.202SC..EExtended strand (participates in β ladder)trans-64.1148.3-179.7-60.90000112.5C153 I154S104-C153 WeakPolarHBondContact O-CA 3.36Å; S104-I154 PolarHBondContact O-N 3.35Å; S104-I154 VanDerWaalsContact O-N 3.11Å
105N97Very high95.8Very high26 Ų2643.6 Ų43.614%0.13923%0.23CC..EExtended strand (participates in β ladder)trans-78.4161.1172.366.470.8000111.9S107 D108 L109 A150 F152 C153N105-S107 PolarHBondContact O-N 3.08Å; N105-S107 WeakPolarHBondContact OD1-CA 3.22Å; N105-S107 WeakPolarHBondContact OD1-CB 3.48Å; N105-S107 PolarHBondContact OD1-N 3.13Å; N105-D108 PolarHBondContact ND2-OD1 3.42Å; N105-D108 PolarHBondContact ND2-OD2 2.95Å; N105-D108 PolarHBondContact O-N 3.36Å; N105-D108 VanDerWaalsContact O-N 3.11Å; N105-D108 VanDerWaalsContact OD1-CG 3.3Å; N105-D108 PolarHBondContact OD1-N 3.26Å; N105-D108 PolarHBondContact OD1-OD1 3.5Å; N105-L109 WeakPolarHBondContact O-CG 3.37Å; N105-L109 PolarHBondContact O-N 3.09Å; N105-A150 WeakPolarHBondContact CB-O 3.39Å; N105-F152 CarbonylContact C-O 3.58Å; N105-F152 WeakPolarHBondContact CA-O 3.42Å; N105-F152 WeakPolarHBondContact CB-O 3.2Å; N105-C153 VanDerWaalsContact CA-SG 3.55Å; N105-C153 VanDerWaalsContact CB-SG 3.53Å
106L98Very high95.9Very high1 Ų149.2 Ų49.21%0.00525%0.254CS..Hα-helixtrans-63.2-27.3-178.4-62-178000113.1L109 R110 L126 P149 F152 I164 L223 W301L106-L109 HydrophobicContact CD2-CD1 4.22Å; L106-R110 VanDerWaalsContact O-CB 3.27Å; L106-R110 WeakPolarHBondContact O-CB 3.32Å; L106-R110 PolarHBondContact O-N 2.89Å; L106-L126 HydrophobicContact CD1-CD1 4.11Å; L106-L126 HydrophobicContact CD1-CD2 3.94Å; L106-L126 HydrophobicContact CD2-CD1 4.21Å; L106-L126 HydrophobicContact CD2-CD2 3.92Å; L106-P149 HydrophobicContact CB-CB 4.15Å; L106-P149 WeakPolarHBondContact CB-O 3.48Å; L106-P149 PolarHBondContact N-O 2.97Å; L106-F152 HydrophobicContact CD1-CB 3.51Å; L106-F152 HydrophobicContact CD1-CD2 4.35Å; L106-F152 HydrophobicContact CD1-CG 4.18Å; L106-F152 HydrophobicContact CG-CB 3.75Å; L106-F152 PolarHBondContact N-O 2.85Å; L106-I164 HydrophobicContact CD2-CD1 4.24Å; L106-L223 HydrophobicContact CB-CD1 4.31Å; L106-L223 HydrophobicContact CB-CD2 4.37Å; L106-L223 HydrophobicContact CD1-CD1 4.01Å; L106-W301 HydrophobicContact CD2-CH2 4.09Å; L106-W301 HydrophobicContact CD2-CZ3 4.27Å
107S96.6Very high95.9Very high22 Ų2254.8 Ų54.815%0.15428%0.275CS..Hα-helixtrans-64.5-44.9174.4-164.10000110.9N105 R111N105-S107 PolarHBondContact O-N 3.08Å; N105-S107 WeakPolarHBondContact OD1-CA 3.22Å; N105-S107 WeakPolarHBondContact OD1-CB 3.48Å; N105-S107 PolarHBondContact OD1-N 3.13Å; S107-R111 VanDerWaalsContact C-NH1 3.28Å; S107-R111 WeakPolarHBondContact O-CG 3.21Å; S107-R111 PolarHBondContact O-N 2.92Å; S107-R111 PolarHBondContact O-NH1 3.03Å; S107-R111 VanDerWaalsContact O-NH1 3.12Å; S107-R111 PolarHBondContact OG-NH1 2.97Å
108D95.9Very high96Very high59 Ų5955 Ų5532%0.31628%0.276SS..Hα-helixtrans-72-45.5-177.8-62.6-0.8000110.6N105 R110 R111 T112N105-D108 PolarHBondContact ND2-OD1 3.42Å; N105-D108 PolarHBondContact ND2-OD2 2.95Å; N105-D108 PolarHBondContact O-N 3.36Å; N105-D108 VanDerWaalsContact O-N 3.11Å; N105-D108 VanDerWaalsContact OD1-CG 3.3Å; N105-D108 PolarHBondContact OD1-N 3.26Å; N105-D108 PolarHBondContact OD1-OD1 3.5Å; D108-R110 VanDerWaalsContact C-N 3.29Å; D108-R110 PolarHBondContact O-N 2.88Å; D108-R111 WeakPolarHBondContact O-CB 3.37Å; D108-R111 PolarHBondContact O-N 2.76Å; D108-R111 IonicContact OD1-CZ 3.23Å; D108-R111 IonicContact OD1-NH1 3.53Å; D108-R111 PolarHBondContact OD1-NH1 3.35Å; D108-R111 IonicContact OD1-NH2 2.84Å; D108-R111 PolarHBondContact OD1-NH2 2.87Å; D108-T112 PolarHBondContact O-N 3.47Å
109L96.6Very high95.9Very high14 Ų1457 Ų577%0.07329%0.29CS..Hα-helixtrans-58.4-40.7174.6-70.4171.3000111.9N105 L106 R111 T112 F118 I154 W301N105-L109 WeakPolarHBondContact O-CG 3.37Å; N105-L109 PolarHBondContact O-N 3.09Å; L106-L109 HydrophobicContact CD2-CD1 4.22Å; L109-R111 VanDerWaalsContact C-N 3.26Å; L109-R111 PolarHBondContact O-N 3.11Å; L109-T112 PolarHBondContact O-N 2.87Å; L109-T112 PolarHBondContact O-OG1 3.44Å; L109-F118 HydrophobicContact CB-CE1 4.39Å; L109-F118 HydrophobicContact CB-CZ 3.85Å; L109-I154 HydrophobicContact CD1-CB 4.45Å; L109-I154 HydrophobicContact CD1-CD1 3.92Å; L109-I154 HydrophobicContact CD1-CG1 4.04Å; L109-I154 HydrophobicContact CD1-CG2 3.63Å; L109-I154 HydrophobicContact CD2-CD1 4.17Å; L109-W301 HydrophobicContact CB-CE3 4.34Å; L109-W301 HydrophobicContact CD1-CD2 3.96Å; L109-W301 HydrophobicContact CD1-CE3 4.12Å; L109-W301 HydrophobicContact CD1-CG 4.3Å; L109-W301 HydrophobicContact CD2-CB 3.85Å; L109-W301 HydrophobicContact CD2-CG 4.07Å
110R96.8Very high95.9Very high21 Ų2158 Ų588%0.07930%0.295CS..Hα-helixtrans-61-39.3175.7-179.6173.866.292.4-12.7111.4L106 D108 T112 T113 K116 F118 E222 L223 G226L106-R110 VanDerWaalsContact O-CB 3.27Å; L106-R110 WeakPolarHBondContact O-CB 3.32Å; L106-R110 PolarHBondContact O-N 2.89Å; D108-R110 VanDerWaalsContact C-N 3.29Å; D108-R110 PolarHBondContact O-N 2.88Å; R110-T112 PolarHBondContact O-N 3.28Å; R110-T113 PolarHBondContact O-N 2.9Å; R110-T113 PolarHBondContact O-OG1 2.96Å; R110-K116 VanDerWaalsContact CD-O 3.24Å; R110-K116 WeakPolarHBondContact CD-O 3.47Å; R110-K116 VanDerWaalsContact CG-C 3.4Å; R110-K116 WeakPolarHBondContact CG-O 3.04Å; R110-K116 PolarHBondContact NH1-O 3.01Å; R110-K116 WeakPolarHBondContact O-CA 3.49Å; R110-F118 HydrophobicContact CB-CE1 4.19Å; R110-F118 HydrophobicContact CB-CE2 4.04Å; R110-F118 HydrophobicContact CB-CZ 3.78Å; R110-F118 VanDerWaalsContact N-CZ 3.34Å; R110-E222 IonicContact CZ-OE2 2.73Å; R110-E222 IonicContact NE-OE2 2.61Å; R110-E222 IonicContact NH2-OE1 2.77Å; R110-E222 IonicContact NH2-OE2 3.32Å; R110-E222 PolarHBondContact NH2-OE2 2.8Å; R110-L223 HydrophobicContact CB-CD2 4.04Å; R110-L223 HydrophobicContact CG-CD2 4.38Å; R110-G226 PolarHBondContact NH1-O 2.77Å
111R95Very high96Very high136 Ų13657.6 Ų57.651%0.51329%0.293SS..Hα-helixtrans-67.8-19.1-179.3-69-169.7-53.4-90.515113.5S107 D108 L109S107-R111 VanDerWaalsContact C-NH1 3.28Å; S107-R111 WeakPolarHBondContact O-CG 3.21Å; S107-R111 PolarHBondContact O-N 2.92Å; S107-R111 PolarHBondContact O-NH1 3.03Å; S107-R111 VanDerWaalsContact O-NH1 3.12Å; S107-R111 PolarHBondContact OG-NH1 2.97Å; D108-R111 WeakPolarHBondContact O-CB 3.37Å; D108-R111 PolarHBondContact O-N 2.76Å; D108-R111 IonicContact OD1-CZ 3.23Å; D108-R111 IonicContact OD1-NH1 3.53Å; D108-R111 PolarHBondContact OD1-NH1 3.35Å; D108-R111 IonicContact OD1-NH2 2.84Å; D108-R111 PolarHBondContact OD1-NH2 2.87Å; L109-R111 VanDerWaalsContact C-N 3.26Å; L109-R111 PolarHBondContact O-N 3.11Å
112T94.3Very high96Very high86 Ų8655.4 Ų55.453%0.52828%0.281SS..Hα-helixtrans-81.1-18.317569.20000112.8D108 L109 R110D108-T112 PolarHBondContact O-N 3.47Å; L109-T112 PolarHBondContact O-N 2.87Å; L109-T112 PolarHBondContact O-OG1 3.44Å; R110-T112 PolarHBondContact O-N 3.28Å
113T94.4Very high96.1Very high15 Ų1554.1 Ų54.19%0.09227%0.273CS..SBendtrans-71.6145.4175.669.70000111.7R110 N115 K116 R117 F118 D300R110-T113 PolarHBondContact O-N 2.9Å; R110-T113 PolarHBondContact O-OG1 2.96Å; T113-N115 VanDerWaalsContact C-N 3.25Å; T113-N115 PolarHBondContact O-N 3.27Å; T113-N115 VanDerWaalsContact O-N 3.12Å; T113-K116 PolarHBondContact O-N 3.33Å; T113-K116 VanDerWaalsContact OG1-CA 3.3Å; T113-K116 WeakPolarHBondContact OG1-CA 3.33Å; T113-K116 PolarHBondContact OG1-N 2.81Å; T113-R117 WeakPolarHBondContact CB-O 3.14Å; T113-R117 PolarHBondContact OG1-N 2.84Å; T113-R117 PolarHBondContact OG1-O 2.71Å; T113-R117 VanDerWaalsContact OG1-O 3.05Å; T113-F118 HydrophobicContact CG2-CD1 3.8Å; T113-F118 HydrophobicContact CG2-CE1 3.76Å; T113-D300 HydrophobicContact CG2-CB 4.42Å
114K89.4Confident96.2Very high201 Ų20152.8 Ų52.887%0.87426%0.26SS*.THydrogen-bonded Turntrans-49.6-42.6-177.3-175.6-180179.3179.10113.8
115N92.8Very high96.3Very high115 Ų11550.3 Ų50.362%0.61524%0.241SC*.THydrogen-bonded Turntrans-102.77.9-175.5-62.4-25.7000113.1T113 R117T113-N115 VanDerWaalsContact C-N 3.25Å; T113-N115 PolarHBondContact O-N 3.27Å; T113-N115 VanDerWaalsContact O-N 3.12Å; N115-R117 HydrophobicContact CB-CB 4.37Å; N115-R117 WeakPolarHBondContact O-CG 3.5Å; N115-R117 PolarHBondContact O-N 3.09Å
116K95.7Very high96.4Very high130 Ų13049 Ų4957%0.56523%0.234SC*.SBendtrans54.338.1-172.5-54177.1-176.9175.30112.4R110 T113 G226R110-K116 VanDerWaalsContact CD-O 3.24Å; R110-K116 WeakPolarHBondContact CD-O 3.47Å; R110-K116 VanDerWaalsContact CG-C 3.4Å; R110-K116 WeakPolarHBondContact CG-O 3.04Å; R110-K116 PolarHBondContact NH1-O 3.01Å; R110-K116 WeakPolarHBondContact O-CA 3.49Å; T113-K116 PolarHBondContact O-N 3.33Å; T113-K116 VanDerWaalsContact OG1-CA 3.3Å; T113-K116 WeakPolarHBondContact OG1-CA 3.33Å; T113-K116 PolarHBondContact OG1-N 2.81Å; K116-G226 WeakPolarHBondContact O-CA 3.25Å
117R97.3Very high96.4Very high125 Ų12549 Ų4947%0.47223%0.234SC..  trans-145.2145.4-173.5-71.2177.3-176.9-166.4-3.5109.4T113 N115 L223 Y224 K225T113-R117 WeakPolarHBondContact CB-O 3.14Å; T113-R117 PolarHBondContact OG1-N 2.84Å; T113-R117 PolarHBondContact OG1-O 2.71Å; T113-R117 VanDerWaalsContact OG1-O 3.05Å; N115-R117 HydrophobicContact CB-CB 4.37Å; N115-R117 WeakPolarHBondContact O-CG 3.5Å; N115-R117 PolarHBondContact O-N 3.09Å; R117-L223 WeakPolarHBondContact CA-O 3.29Å; R117-Y224 WeakPolarHBondContact CB-O 3.42Å; R117-Y224 VanDerWaalsContact CD-O 3.3Å; R117-Y224 WeakPolarHBondContact CD-O 3.4Å; R117-Y224 WeakPolarHBondContact CG-O 3.15Å; R117-K225 PolarHBondContact NE-O 2.89Å; R117-K225 PolarHBondContact NH2-O 3.49Å
118F97.9Very high96.5Very high5 Ų548.5 Ų48.52%0.02223%0.229CC..  trans-92.3152.3166.7-65.6-40.4000111.5L109 R110 T113 T122 I123 L126 L223 D300 W301L109-F118 HydrophobicContact CB-CE1 4.39Å; L109-F118 HydrophobicContact CB-CZ 3.85Å; R110-F118 HydrophobicContact CB-CE1 4.19Å; R110-F118 HydrophobicContact CB-CE2 4.04Å; R110-F118 HydrophobicContact CB-CZ 3.78Å; R110-F118 VanDerWaalsContact N-CZ 3.34Å; T113-F118 HydrophobicContact CG2-CD1 3.8Å; T113-F118 HydrophobicContact CG2-CE1 3.76Å; F118-T122 HydrophobicContact CB-CG2 3.53Å; F118-T122 HydrophobicContact CD1-CG2 4.06Å; F118-T122 HydrophobicContact CD2-CG2 3.78Å; F118-T122 HydrophobicContact CE2-CG2 4.5Å; F118-T122 HydrophobicContact CG-CG2 3.54Å; F118-I123 HydrophobicContact CB-CD1 3.89Å; F118-I123 HydrophobicContact CB-CG1 4.06Å; F118-I123 HydrophobicContact CD2-CD1 4.34Å; F118-L126 HydrophobicContact CD2-CD1 3.99Å; F118-L126 HydrophobicContact CE2-CD1 4.15Å; F118-L223 HydrophobicContact CD2-CB 3.98Å; F118-L223 HydrophobicContact CD2-CD1 4.28Å; F118-L223 HydrophobicContact CD2-CD2 4.04Å; F118-L223 HydrophobicContact CD2-CG 4.33Å; F118-L223 HydrophobicContact CE2-CD1 4.27Å; F118-L223 HydrophobicContact CE2-CD2 3.77Å; F118-L223 HydrophobicContact CE2-CG 4.42Å; F118-L223 PolarHBondContact N-O 3.34Å; F118-D300 VanDerWaalsContact CA-OD2 3.31Å; F118-D300 WeakPolarHBondContact CA-OD2 3.35Å; F118-D300 WeakPolarHBondContact CB-OD2 3.42Å; F118-D300 HydrophobicContact CD1-CB 4.14Å; F118-W301 HydrophobicContact CD1-CE3 4.41Å; F118-W301 HydrophobicContact CD1-CZ3 4.41Å; F118-W301 HydrophobicContact CD2-CZ3 4.49Å; F118-W301 AromaticContact CE1-CE3 3.71Å; F118-W301 HydrophobicContact CE1-CE3 3.71Å; F118-W301 AromaticContact CE1-CZ3 3.91Å; F118-W301 HydrophobicContact CE1-CZ3 3.91Å; F118-W301 HydrophobicContact CE2-CZ3 4Å; F118-W301 AromaticContact CZ-CE3 3.79Å; F118-W301 HydrophobicContact CZ-CE3 3.79Å; F118-W301 AromaticContact CZ-CZ3 3.69Å; F118-W301 HydrophobicContact CZ-CZ3 3.69Å
119S97.2Very high96.6Very high41 Ų4146.9 Ų46.929%0.28722%0.222SC..  trans-66.8157172.2670000111.1S121 T122 I123 D300S119-S121 PolarHBondContact O-N 3.2Å; S119-T122 WeakPolarHBondContact O-CB 3.49Å; S119-T122 PolarHBondContact O-N 3.03Å; S119-T122 VanDerWaalsContact O-N 3.1Å; S119-T122 PolarHBondContact OG-N 3.41Å; S119-T122 PolarHBondContact OG-OG1 3.35Å; S119-I123 WeakPolarHBondContact O-CG1 3.33Å; S119-I123 PolarHBondContact O-N 3.45Å; S119-D300 WeakPolarHBondContact CB-OD1 3.42Å; S119-D300 PolarHBondContact N-OD2 3.26Å; S119-D300 VanDerWaalsContact OG-CG 3.31Å; S119-D300 PolarHBondContact OG-OD1 3.46Å; S119-D300 PolarHBondContact OG-OD2 3.26Å; S119-D300 VanDerWaalsContact OG-OD2 3.05Å
120I97.7Very high96.7Very high35 Ų3546.3 Ų46.318%0.17922%0.218CC..Hα-helixtrans-58.2-33.1176.9-170.459.5000112.5I123 L124 Y224 L255 M291 I293I120-I123 PolarHBondContact O-N 3.32Å; I120-L124 HydrophobicContact CD1-CD1 4.13Å; I120-L124 HydrophobicContact CD1-CG 4.02Å; I120-L124 HydrophobicContact CG1-CD1 3.89Å; I120-L124 HydrophobicContact CG1-CG 4.24Å; I120-L124 WeakPolarHBondContact O-CG 3.5Å; I120-L124 PolarHBondContact O-N 3.01Å; I120-Y224 HydrophobicContact CB-CE2 3.97Å; I120-Y224 HydrophobicContact CD1-CD2 4.48Å; I120-Y224 HydrophobicContact CD1-CE2 4.15Å; I120-L255 HydrophobicContact CD1-CD2 3.72Å; I120-M291 HydrophobicContact CB-CE 4.45Å; I120-M291 HydrophobicContact CG1-CE 3.84Å; I120-M291 HydrophobicContact CG1-SD 4.03Å; I120-M291 HydrophobicContact CG2-CE 3.84Å; I120-I293 HydrophobicContact CG2-CD1 4.4Å
121S97.9Very high96.7Very high15 Ų1545.5 Ų45.511%0.10522%0.216CC..Hα-helixtrans-58.6-51.6173.11690000111.6S119 I123 R125 I293S119-S121 PolarHBondContact O-N 3.2Å; S121-I123 VanDerWaalsContact C-N 3.34Å; S121-I123 PolarHBondContact O-N 3.06Å; S121-R125 WeakPolarHBondContact O-CG 3.27Å; S121-R125 PolarHBondContact O-N 2.82Å; S121-R125 PolarHBondContact O-NE 3.4Å; S121-R125 PolarHBondContact OG-NE 3.11Å; S121-R125 PolarHBondContact OG-NH2 2.92Å; S121-I293 WeakPolarHBondContact OG-CG2 3.46Å
122T97.9Very high96.9Very high0 Ų041.4 Ų41.40%020%0.203CC..Hα-helixtrans-60.2-44.2175.8-67.90000111.4F118 S119 R125 L126 Y299 D300 W301F118-T122 HydrophobicContact CB-CG2 3.53Å; F118-T122 HydrophobicContact CD1-CG2 4.06Å; F118-T122 HydrophobicContact CD2-CG2 3.78Å; F118-T122 HydrophobicContact CE2-CG2 4.5Å; F118-T122 HydrophobicContact CG-CG2 3.54Å; S119-T122 WeakPolarHBondContact O-CB 3.49Å; S119-T122 PolarHBondContact O-N 3.03Å; S119-T122 VanDerWaalsContact O-N 3.1Å; S119-T122 PolarHBondContact OG-N 3.41Å; S119-T122 PolarHBondContact OG-OG1 3.35Å; T122-R125 PolarHBondContact O-N 3.1Å; T122-L126 HydrophobicContact CG2-CD1 3.63Å; T122-L126 HydrophobicContact CG2-CG 4.16Å; T122-L126 VanDerWaalsContact O-CB 3.29Å; T122-L126 WeakPolarHBondContact O-CB 3.46Å; T122-L126 VanDerWaalsContact O-CG 3.27Å; T122-L126 WeakPolarHBondContact O-CG 3.3Å; T122-L126 PolarHBondContact O-N 3.43Å; T122-Y299 HydrophobicContact CG2-CD1 3.8Å; T122-Y299 HydrophobicContact CG2-CE1 4.42Å; T122-D300 VanDerWaalsContact CB-OD2 3.26Å; T122-D300 WeakPolarHBondContact CB-OD2 3.5Å; T122-D300 PolarHBondContact OG1-N 3.23Å; T122-D300 VanDerWaalsContact OG1-N 3.16Å; T122-D300 PolarHBondContact OG1-OD1 3.11Å; T122-D300 PolarHBondContact OG1-OD2 3.48Å; T122-W301 HydrophobicContact CG2-CH2 4.14Å; T122-W301 HydrophobicContact CG2-CZ3 3.68Å
123I98.4Very high97.1Very high1 Ų137.3 Ų37.31%0.00518%0.177CC..Hα-helixtrans-63.4-45.4-176.1-66.7-67.5000112.3F118 S119 I120 S121 L126 A127 L220 L223 Y224 L255F118-I123 HydrophobicContact CB-CD1 3.89Å; F118-I123 HydrophobicContact CB-CG1 4.06Å; F118-I123 HydrophobicContact CD2-CD1 4.34Å; S119-I123 WeakPolarHBondContact O-CG1 3.33Å; S119-I123 PolarHBondContact O-N 3.45Å; I120-I123 PolarHBondContact O-N 3.32Å; S121-I123 VanDerWaalsContact C-N 3.34Å; S121-I123 PolarHBondContact O-N 3.06Å; I123-L126 PolarHBondContact O-N 2.86Å; I123-A127 WeakPolarHBondContact O-CB 3.38Å; I123-A127 PolarHBondContact O-N 2.97Å; I123-L220 HydrophobicContact CG2-CB 4.3Å; I123-L220 HydrophobicContact CG2-CD2 4.28Å; I123-L223 HydrophobicContact CD1-CB 3.45Å; I123-L223 VanDerWaalsContact CD1-CB 3.45Å; I123-Y224 HydrophobicContact CG1-CD2 3.95Å; I123-Y224 HydrophobicContact CG1-CG 4.32Å; I123-L255 HydrophobicContact CG2-CD2 4.16Å
124L98.4Very high97.3Very high0 Ų036.7 Ų36.70%017%0.173CC..Hα-helixtrans-70.1-36-179-68170.8000112.3I120 A127 I128 I259 F284 I287 M288 M291 I293I120-L124 HydrophobicContact CD1-CD1 4.13Å; I120-L124 HydrophobicContact CD1-CG 4.02Å; I120-L124 HydrophobicContact CG1-CD1 3.89Å; I120-L124 HydrophobicContact CG1-CG 4.24Å; I120-L124 WeakPolarHBondContact O-CG 3.5Å; I120-L124 PolarHBondContact O-N 3.01Å; L124-A127 WeakPolarHBondContact O-CB 3.46Å; L124-A127 PolarHBondContact O-N 3.37Å; L124-I128 PolarHBondContact O-N 3.21Å; L124-I259 HydrophobicContact CD2-CD1 4.45Å; L124-F284 HydrophobicContact CD2-CD1 4.01Å; L124-I287 HydrophobicContact CD1-CB 4.36Å; L124-I287 HydrophobicContact CD1-CG2 3.48Å; L124-I287 VanDerWaalsContact CD1-CG2 3.48Å; L124-I287 HydrophobicContact CD2-CB 4.4Å; L124-I287 HydrophobicContact CD2-CD1 4.37Å; L124-I287 HydrophobicContact CD2-CG2 3.88Å; L124-I287 HydrophobicContact CG-CG2 4.36Å; L124-M288 HydrophobicContact CB-CG 3.7Å; L124-M288 HydrophobicContact CB-SD 4.18Å; L124-M288 HydrophobicContact CD1-CG 4.1Å; L124-M291 HydrophobicContact CD1-SD 4.08Å; L124-I293 HydrophobicContact CD1-CD1 3.65Å
125R97.9Very high97.7Very high8 Ų830 Ų303%0.0315%0.145CC..Hα-helixtrans-67.9-44.5174.1-71.5179.4-69.1121.6-7.1111.9S121 T122 A127 I128 T129 M288 A294 D297 P298 Y299S121-R125 WeakPolarHBondContact O-CG 3.27Å; S121-R125 PolarHBondContact O-N 2.82Å; S121-R125 PolarHBondContact O-NE 3.4Å; S121-R125 PolarHBondContact OG-NE 3.11Å; S121-R125 PolarHBondContact OG-NH2 2.92Å; T122-R125 PolarHBondContact O-N 3.1Å; R125-A127 VanDerWaalsContact C-N 3.26Å; R125-A127 PolarHBondContact O-N 2.87Å; R125-I128 PolarHBondContact O-N 2.9Å; R125-T129 PolarHBondContact O-N 3.31Å; R125-T129 VanDerWaalsContact O-N 3.13Å; R125-T129 PolarHBondContact O-OG1 3Å; R125-M288 HydrophobicContact CG-CE 3.62Å; R125-M288 HydrophobicContact CG-SD 4.16Å; R125-A294 WeakPolarHBondContact CD-O 3.31Å; R125-D297 PolarHBondContact NH1-O 3.02Å; R125-P298 PolarHBondContact NH2-O 3.4Å; R125-Y299 HydrophobicContact CB-CE1 3.81Å; R125-Y299 VanDerWaalsContact NH1-CD2 3.35Å
126L98.3Very high98Very high0 Ų026.8 Ų26.80%013%0.127CC..Hα-helixtrans-58.5-39.2171.5-78.2176.5000111.9L106 F118 T122 I123 I128 T129 C130 I164 L220 L223 Y299 W301L106-L126 HydrophobicContact CD1-CD1 4.11Å; L106-L126 HydrophobicContact CD1-CD2 3.94Å; L106-L126 HydrophobicContact CD2-CD1 4.21Å; L106-L126 HydrophobicContact CD2-CD2 3.92Å; F118-L126 HydrophobicContact CD2-CD1 3.99Å; F118-L126 HydrophobicContact CE2-CD1 4.15Å; T122-L126 HydrophobicContact CG2-CD1 3.63Å; T122-L126 HydrophobicContact CG2-CG 4.16Å; T122-L126 VanDerWaalsContact O-CB 3.29Å; T122-L126 WeakPolarHBondContact O-CB 3.46Å; T122-L126 VanDerWaalsContact O-CG 3.27Å; T122-L126 WeakPolarHBondContact O-CG 3.3Å; T122-L126 PolarHBondContact O-N 3.43Å; I123-L126 PolarHBondContact O-N 2.86Å; L126-I128 VanDerWaalsContact C-N 3.28Å; L126-I128 PolarHBondContact O-N 3.05Å; L126-T129 PolarHBondContact O-N 3.13Å; L126-T129 PolarHBondContact O-OG1 3.11Å; L126-C130 WeakPolarHBondContact O-CB 3.33Å; L126-C130 PolarHBondContact O-N 3.28Å; L126-C130 PolarHBondContact O-SG 2.87Å; L126-I164 HydrophobicContact CD2-CD1 3.62Å; L126-I164 HydrophobicContact CD2-CG1 3.94Å; L126-L220 HydrophobicContact CB-CD2 4.27Å; L126-L223 HydrophobicContact CD1-CD1 4.2Å; L126-Y299 HydrophobicContact CD2-CE1 4.26Å; L126-Y299 HydrophobicContact CG-CE1 4.04Å; L126-W301 HydrophobicContact CD1-CH2 4.23Å; L126-W301 HydrophobicContact CD1-CZ3 4.34Å; L126-W301 HydrophobicContact CD2-CH2 4.01Å; L126-W301 HydrophobicContact CG-CH2 4.3Å
127A98.5Very high98.1Very high0 Ų020.6 Ų20.60%010%0.1CC..Hα-helixtrans-58.4-42178.900000111.7I123 L124 R125 L131 L220 F284I123-A127 WeakPolarHBondContact O-CB 3.38Å; I123-A127 PolarHBondContact O-N 2.97Å; L124-A127 WeakPolarHBondContact O-CB 3.46Å; L124-A127 PolarHBondContact O-N 3.37Å; R125-A127 VanDerWaalsContact C-N 3.26Å; R125-A127 PolarHBondContact O-N 2.87Å; A127-L131 WeakPolarHBondContact O-CB 3.43Å; A127-L131 PolarHBondContact O-N 3.5Å; A127-L131 VanDerWaalsContact O-N 3.11Å; A127-L220 HydrophobicContact CB-CD1 3.5Å; A127-L220 VanDerWaalsContact CB-CD1 3.5Å; A127-L220 HydrophobicContact CB-CD2 4.03Å; A127-L220 HydrophobicContact CB-CG 4.42Å; A127-F284 HydrophobicContact CB-CD1 3.79Å; A127-F284 HydrophobicContact CB-CD2 4.1Å; A127-F284 HydrophobicContact CB-CE1 3.61Å; A127-F284 HydrophobicContact CB-CE2 3.93Å; A127-F284 HydrophobicContact CB-CG 4.05Å; A127-F284 HydrophobicContact CB-CZ 3.7Å
128I98.1Very high98.2Very high12 Ų1214.7 Ų14.76%0.0628%0.078CC..Hα-helixtrans-67.3-56.2177-66173.1000110.7L124 R125 L126 C130 L131 E132 R281 F284 Q285 M288L124-I128 PolarHBondContact O-N 3.21Å; R125-I128 PolarHBondContact O-N 2.9Å; L126-I128 VanDerWaalsContact C-N 3.28Å; L126-I128 PolarHBondContact O-N 3.05Å; I128-C130 PolarHBondContact O-N 3.35Å; I128-L131 PolarHBondContact O-N 3.35Å; I128-L131 VanDerWaalsContact O-N 3.17Å; I128-E132 WeakPolarHBondContact O-CG 3.31Å; I128-E132 PolarHBondContact O-N 2.92Å; I128-R281 HydrophobicContact CG2-CG 4.29Å; I128-F284 HydrophobicContact CD1-CB 3.96Å; I128-F284 HydrophobicContact CG1-CB 3.58Å; I128-F284 HydrophobicContact CG1-CD2 4.41Å; I128-F284 HydrophobicContact CG1-CG 4.29Å; I128-Q285 HydrophobicContact CD1-CG 3.77Å; I128-M288 HydrophobicContact CD1-SD 3.52Å; I128-M288 VanDerWaalsContact CD1-SD 3.52Å
129T97.4Very high98.1Very high25 Ų2519.3 Ų19.315%0.15310%0.103CC..Hα-helixtrans-66-37.4-173.554.90000112.7R125 L126 E132 A133R125-T129 PolarHBondContact O-N 3.31Å; R125-T129 VanDerWaalsContact O-N 3.13Å; R125-T129 PolarHBondContact O-OG1 3Å; L126-T129 PolarHBondContact O-N 3.13Å; L126-T129 PolarHBondContact O-OG1 3.11Å; T129-E132 PolarHBondContact O-N 3.41Å; T129-A133 PolarHBondContact O-N 3.49Å
130C98.6Very high98.1Very high1 Ų119.2 Ų19.21%0.00711%0.105CC..Hα-helixtrans-70.9-35.8175.8-65.80000111.6L126 I128 E132 A133 I134 F152 L216L126-C130 WeakPolarHBondContact O-CB 3.33Å; L126-C130 PolarHBondContact O-N 3.28Å; L126-C130 PolarHBondContact O-SG 2.87Å; I128-C130 PolarHBondContact O-N 3.35Å; C130-E132 VanDerWaalsContact C-N 3.35Å; C130-A133 PolarHBondContact O-N 3.25Å; C130-I134 VanDerWaalsContact O-CG1 3.29Å; C130-I134 WeakPolarHBondContact O-CG1 3.24Å; C130-I134 PolarHBondContact O-N 3.47Å; C130-F152 HydrophobicContact CB-CD1 4.38Å; C130-F152 HydrophobicContact CB-CE1 3.76Å; C130-F152 HydrophobicContact CB-CE2 4.3Å; C130-F152 HydrophobicContact CB-CZ 3.72Å; C130-L216 HydrophobicContact CB-CD1 3.56Å; C130-L216 HydrophobicContact CB-CD2 4.27Å
131L98.6Very high98Very high4 Ų417.7 Ų17.72%0.02110%0.098CC..Hα-helixtrans-65.7-39.6175.1-17771.4000111.2A127 I128 I134 K135 V213 L216 Y277 M280 F284A127-L131 WeakPolarHBondContact O-CB 3.43Å; A127-L131 PolarHBondContact O-N 3.5Å; A127-L131 VanDerWaalsContact O-N 3.11Å; I128-L131 PolarHBondContact O-N 3.35Å; I128-L131 VanDerWaalsContact O-N 3.17Å; L131-I134 PolarHBondContact O-N 3.29Å; L131-K135 WeakPolarHBondContact O-CB 3.47Å; L131-K135 PolarHBondContact O-N 3.18Å; L131-V213 HydrophobicContact CD1-CG1 4.26Å; L131-V213 HydrophobicContact CD1-CG2 4.35Å; L131-L216 HydrophobicContact CB-CD2 3.99Å; L131-L216 HydrophobicContact CD1-CD2 4.21Å; L131-Y277 HydrophobicContact CD1-CD1 3.66Å; L131-Y277 HydrophobicContact CD1-CE1 3.89Å; L131-Y277 HydrophobicContact CG-CD1 3.97Å; L131-M280 HydrophobicContact CD2-CB 3.7Å; L131-F284 HydrophobicContact CD2-CD2 4.41Å; L131-F284 HydrophobicContact CD2-CE2 4.22Å
132E98Very high98Very high51 Ų5117.2 Ų17.224%0.2389%0.094CC..Hα-helixtrans-61.8-46.4173.8-72.2170.6167.600111.2I128 T129 C130 I134 K135 D136 R281I128-E132 WeakPolarHBondContact O-CG 3.31Å; I128-E132 PolarHBondContact O-N 2.92Å; T129-E132 PolarHBondContact O-N 3.41Å; C130-E132 VanDerWaalsContact C-N 3.35Å; E132-I134 PolarHBondContact O-N 2.95Å; E132-K135 WeakPolarHBondContact O-CB 3.38Å; E132-K135 PolarHBondContact O-N 3.31Å; E132-D136 PolarHBondContact O-N 2.66Å; E132-R281 IonicContact OE1-CZ 3.18Å; E132-R281 IonicContact OE1-NE 3.54Å; E132-R281 PolarHBondContact OE1-NE 2.81Å; E132-R281 IonicContact OE1-NH2 2.81Å
133A98.5Very high98.1Very high0 Ų017.3 Ų17.30%09%0.094CC..Hα-helixtrans-58.2-43.5174.600000113.2H81 F82 T129 C130 D136 L137 F152 L166H81-A133 HydrophobicContact CB-CB 3.52Å; F82-A133 WeakPolarHBondContact CZ-O 3.26Å; T129-A133 PolarHBondContact O-N 3.49Å; C130-A133 PolarHBondContact O-N 3.25Å; A133-D136 PolarHBondContact O-N 2.88Å; A133-L137 PolarHBondContact O-N 3.18Å; A133-F152 HydrophobicContact CB-CE1 4.43Å; A133-L166 HydrophobicContact CB-CB 4.26Å
134I98.7Very high98Very high1 Ų117.2 Ų17.21%0.0059%0.094CC..Hα-helixtrans-65.2-44.1176.3-70.3171.8000110.6C130 L131 E132 D136 L137 H138 I147 F152 D212 V213 L216 Y277C130-I134 VanDerWaalsContact O-CG1 3.29Å; C130-I134 WeakPolarHBondContact O-CG1 3.24Å; C130-I134 PolarHBondContact O-N 3.47Å; L131-I134 PolarHBondContact O-N 3.29Å; E132-I134 PolarHBondContact O-N 2.95Å; I134-D136 VanDerWaalsContact C-N 3.34Å; I134-D136 PolarHBondContact O-N 3.35Å; I134-L137 WeakPolarHBondContact O-CB 3.13Å; I134-L137 PolarHBondContact O-N 3.33Å; I134-H138 WeakPolarHBondContact CG2-CE1 3.36Å; I134-H138 PolarHBondContact O-CD2 3.24Å; I134-H138 VanDerWaalsContact O-CD2 3.29Å; I134-H138 VanDerWaalsContact O-CG 3.23Å; I134-H138 PolarHBondContact O-N 2.9Å; I134-I147 HydrophobicContact CD1-CD1 3.95Å; I134-I147 HydrophobicContact CD1-CG1 4.04Å; I134-I147 HydrophobicContact CD1-CG2 4.07Å; I134-I147 HydrophobicContact CG1-CD1 3.81Å; I134-I147 HydrophobicContact CG1-CG1 4.37Å; I134-F152 HydrophobicContact CD1-CZ 4.36Å; I134-F152 HydrophobicContact CG1-CZ 4.44Å; I134-D212 HydrophobicContact CG2-CB 4.17Å; I134-V213 HydrophobicContact CG2-CG2 4.42Å; I134-L216 HydrophobicContact CD1-CB 3.85Å; I134-L216 HydrophobicContact CD1-CD2 3.95Å; I134-L216 HydrophobicContact CD1-CG 4.33Å; I134-Y277 HydrophobicContact CG2-CE1 4.4Å
135K98.4Very high98Very high62 Ų6218.9 Ų18.927%0.2710%0.1SC..Hα-helixtrans-59.2-46.1177.6-177.2-171.4174.6-67.30111.1L131 E132 L137 H138 D139 Y277L131-K135 WeakPolarHBondContact O-CB 3.47Å; L131-K135 PolarHBondContact O-N 3.18Å; E132-K135 WeakPolarHBondContact O-CB 3.38Å; E132-K135 PolarHBondContact O-N 3.31Å; K135-L137 VanDerWaalsContact C-N 3.3Å; K135-L137 PolarHBondContact O-N 3.3Å; K135-H138 PolarHBondContact O-N 3.12Å; K135-H138 VanDerWaalsContact O-N 3.1Å; K135-D139 IonicContact NZ-OD2 3.33Å; K135-D139 PolarHBondContact NZ-OD2 2.82Å; K135-D139 WeakPolarHBondContact O-CB 3.46Å; K135-D139 PolarHBondContact O-N 3.03Å; K135-Y277 HydrophobicContact CB-CD1 3.72Å; K135-Y277 HydrophobicContact CB-CD2 4.4Å; K135-Y277 HydrophobicContact CB-CE1 4.08Å; K135-Y277 HydrophobicContact CB-CG 3.94Å; K135-Y277 HydrophobicContact CD-CD1 4.46Å; K135-Y277 HydrophobicContact CD-CD2 4.35Å; K135-Y277 HydrophobicContact CD-CG 3.92Å; K135-Y277 HydrophobicContact CG-CD1 4.05Å; K135-Y277 HydrophobicContact CG-CD2 3.88Å; K135-Y277 HydrophobicContact CG-CE2 4.41Å; K135-Y277 HydrophobicContact CG-CG 3.72Å
136D98.2Very high98Very high46 Ų4619 Ų1925%0.24610%0.101CC..Hα-helixtrans-57.1-43.9178.1-78.20.4000111.5M76 S79 H81 F82 E132 A133 I134 H138 A140M76-D136 VanDerWaalsContact CE-C 3.4Å; M76-D136 HydrophobicContact CE-CB 3.67Å; M76-D136 WeakPolarHBondContact CE-O 3.32Å; S79-D136 WeakPolarHBondContact CB-OD2 3.43Å; S79-D136 PolarHBondContact OG-OD2 2.87Å; H81-D136 IonicContact CD2-OD2 2.98Å; F82-D136 HydrophobicContact CE2-CB 3.98Å; E132-D136 PolarHBondContact O-N 2.66Å; A133-D136 PolarHBondContact O-N 2.88Å; I134-D136 VanDerWaalsContact C-N 3.34Å; I134-D136 PolarHBondContact O-N 3.35Å; D136-H138 VanDerWaalsContact C-N 3.34Å; D136-H138 PolarHBondContact O-N 3Å; D136-A140 PolarHBondContact O-N 2.97Å; D136-A140 VanDerWaalsContact O-N 3.13Å
137L98.4Very high98Very high0 Ų019 Ų190%010%0.101CC..Hα-helixtrans-63.1-41.4175.8-172.364.1000112.1V72 M76 F82 A133 I134 K135 A140 G141 F142 H144 L166 F169V72-L137 HydrophobicContact CG1-CD1 3.75Å; M76-L137 HydrophobicContact SD-CD1 4.48Å; F82-L137 HydrophobicContact CE1-CD1 4.13Å; F82-L137 HydrophobicContact CZ-CB 3.99Å; F82-L137 HydrophobicContact CZ-CD1 4.4Å; A133-L137 PolarHBondContact O-N 3.18Å; I134-L137 WeakPolarHBondContact O-CB 3.13Å; I134-L137 PolarHBondContact O-N 3.33Å; K135-L137 VanDerWaalsContact C-N 3.3Å; K135-L137 PolarHBondContact O-N 3.3Å; L137-A140 WeakPolarHBondContact O-CB 3.09Å; L137-A140 PolarHBondContact O-N 3.11Å; L137-G141 PolarHBondContact O-N 3.19Å; L137-F142 HydrophobicContact CD1-CB 3.71Å; L137-F142 HydrophobicContact CD1-CD2 4.33Å; L137-F142 HydrophobicContact CD1-CG 4.32Å; L137-F142 HydrophobicContact CG-CB 3.83Å; L137-F142 PolarHBondContact O-N 3.19Å; L137-F142 VanDerWaalsContact O-N 3.11Å; L137-H144 HydrophobicContact CD2-CB 3.65Å; L137-L166 HydrophobicContact CD2-CD2 4.3Å; L137-F169 HydrophobicContact CD1-CE1 4.47Å
138H98.2Very high97.9Very high2 Ų220.3 Ų20.31%0.00911%0.107CC..Hα-helixtrans-70-39.2-179.1-69.5-178.6000112.6I134 K135 D136 A140 G141 F142 Y175 T209 D212 Y277I134-H138 WeakPolarHBondContact CG2-CE1 3.36Å; I134-H138 PolarHBondContact O-CD2 3.24Å; I134-H138 VanDerWaalsContact O-CD2 3.29Å; I134-H138 VanDerWaalsContact O-CG 3.23Å; I134-H138 PolarHBondContact O-N 2.9Å; K135-H138 PolarHBondContact O-N 3.12Å; K135-H138 VanDerWaalsContact O-N 3.1Å; D136-H138 VanDerWaalsContact C-N 3.34Å; D136-H138 PolarHBondContact O-N 3Å; H138-A140 PolarHBondContact O-N 3.24Å; H138-G141 WeakPolarHBondContact O-CA 3.47Å; H138-G141 PolarHBondContact O-N 3.35Å; H138-F142 WeakPolarHBondContact CA-O 3.37Å; H138-F142 PolarHBondContact CD2-O 3.03Å; H138-Y175 WeakPolarHBondContact O-CE1 3.12Å; H138-Y175 PolarHBondContact O-OH 2.95Å; H138-T209 HydrophobicContact CB-CG2 4.05Å; H138-T209 VanDerWaalsContact CE1-CA 3.47Å; H138-T209 WeakPolarHBondContact CE1-CA 3.38Å; H138-T209 PolarHBondContact CE1-O 2.98Å; H138-T209 VanDerWaalsContact ND1-CB 3.3Å; H138-T209 WeakPolarHBondContact ND1-CB 3.4Å; H138-T209 WeakPolarHBondContact ND1-CG2 3.44Å; H138-D212 IonicContact CE1-OD2 3.74Å; H138-D212 IonicContact NE2-OD2 3.2Å; H138-D212 PolarHBondContact NE2-OD2 3.12Å; H138-D212 VanDerWaalsContact NE2-OD2 3.09Å; H138-Y277 PolarHBondContact CE1-OH 2.78Å; H138-Y277 VanDerWaalsContact CE1-OH 3.3Å; H138-Y277 AromaticContact ND1-CZ 3.56Å; H138-Y277 PolarHBondContact ND1-OH 3.12Å
139D96.8Very high97.9Very high102 Ų10219.8 Ų19.855%0.54510%0.104SC..Hα-helixtrans-64.1-31.3173.9-74.4-8.7000111.2K135 G141K135-D139 IonicContact NZ-OD2 3.33Å; K135-D139 PolarHBondContact NZ-OD2 2.82Å; K135-D139 WeakPolarHBondContact O-CB 3.46Å; K135-D139 PolarHBondContact O-N 3.03Å; D139-G141 PolarHBondContact O-N 3.37Å
140A96.7Very high97.9Very high39 Ų3920.6 Ų20.632%0.32211%0.113SC..THydrogen-bonded Turntrans-74.5-4.2170.700000113.9M76 D136 L137 H138 F142M76-A140 HydrophobicContact CE-CB 4.41Å; M76-A140 HydrophobicContact SD-CB 3.43Å; M76-A140 WeakPolarHBondContact SD-CB 3.42Å; D136-A140 PolarHBondContact O-N 2.97Å; D136-A140 VanDerWaalsContact O-N 3.13Å; L137-A140 WeakPolarHBondContact O-CB 3.09Å; L137-A140 PolarHBondContact O-N 3.11Å; H138-A140 PolarHBondContact O-N 3.24Å; A140-F142 HydrophobicContact CB-CD2 3.89Å; A140-F142 HydrophobicContact CB-CE2 4.15Å; A140-F142 WeakPolarHBondContact O-CD2 3.43Å; A140-F142 VanDerWaalsContact O-CE2 3.24Å; A140-F142 WeakPolarHBondContact O-CE2 3.38Å
141G97.1Very high97.8Very high3 Ų321 Ų213%0.03112%0.115CC..THydrogen-bonded Turntrans91.619.517400000115.1L137 H138 D139 Q174 Y175 I176L137-G141 PolarHBondContact O-N 3.19Å; H138-G141 WeakPolarHBondContact O-CA 3.47Å; H138-G141 PolarHBondContact O-N 3.35Å; D139-G141 PolarHBondContact O-N 3.37Å; G141-Q174 CarbonylContact O-C 3.54Å; G141-Q174 WeakPolarHBondContact O-CA 3.31Å; G141-Y175 WeakPolarHBondContact O-CD1 3.43Å; G141-Y175 PolarHBondContact O-N 3.33Å; G141-I176 PolarHBondContact O-N 3.42Å
142F98Very high97.8Very high5 Ų520.8 Ų20.82%0.02211%0.114CC..EExtended strand (participates in β ladder)trans-118154.2-178-60.4-81.5000112.4F71 V72 K75 L137 H138 A140 V172 R173 Q174F71-F142 HydrophobicContact CD1-CE1 4.15Å; F71-F142 AromaticContact CD1-CZ 3.89Å; F71-F142 HydrophobicContact CD1-CZ 3.89Å; F71-F142 AromaticContact CE1-CE1 3.98Å; F71-F142 HydrophobicContact CE1-CE1 3.98Å; F71-F142 AromaticContact CE1-CZ 3.55Å; F71-F142 HydrophobicContact CE1-CZ 3.55Å; V72-F142 HydrophobicContact CG2-CD1 4.09Å; V72-F142 HydrophobicContact CG2-CE1 4.05Å; V72-F142 HydrophobicContact CG2-CG 4.38Å; V72-F142 HydrophobicContact CG2-CZ 4.31Å; K75-F142 HydrophobicContact CB-CE2 4.32Å; K75-F142 HydrophobicContact CG-CE2 4.28Å; K75-F142 HydrophobicContact CG-CZ 4.44Å; L137-F142 HydrophobicContact CD1-CB 3.71Å; L137-F142 HydrophobicContact CD1-CD2 4.33Å; L137-F142 HydrophobicContact CD1-CG 4.32Å; L137-F142 HydrophobicContact CG-CB 3.83Å; L137-F142 PolarHBondContact O-N 3.19Å; L137-F142 VanDerWaalsContact O-N 3.11Å; H138-F142 WeakPolarHBondContact CA-O 3.37Å; H138-F142 PolarHBondContact CD2-O 3.03Å; A140-F142 HydrophobicContact CB-CD2 3.89Å; A140-F142 HydrophobicContact CB-CE2 4.15Å; A140-F142 WeakPolarHBondContact O-CD2 3.43Å; A140-F142 VanDerWaalsContact O-CE2 3.24Å; A140-F142 WeakPolarHBondContact O-CE2 3.38Å; F142-V172 HydrophobicContact CB-CG2 3.69Å; F142-V172 HydrophobicContact CD1-CG2 4.13Å; F142-V172 HydrophobicContact CG-CG2 4.23Å; F142-R173 CarbonylContact C-O 3.42Å; F142-R173 WeakPolarHBondContact CA-O 3.49Å; F142-Q174 HydrophobicContact CD1-CB 3.8Å; F142-Q174 HydrophobicContact CD1-CG 4.15Å; F142-Q174 HydrophobicContact CE1-CB 3.73Å; F142-Q174 HydrophobicContact CE1-CG 3.85Å; F142-Q174 HydrophobicContact CZ-CG 4.44Å
143I97.9Very high97.8Very high1 Ų118.8 Ų18.81%0.00511%0.106CC..EExtended strand (participates in β ladder)trans-119.1129.3168.5-55.9158.9000106.3R145 V172 R173 Y175 M207 Y208 T209 D212I143-R145 HydrophobicContact CB-CG 4.29Å; I143-R145 HydrophobicContact CG2-CG 3.78Å; I143-V172 CarbonylContact O-C 3.54Å; I143-V172 VanDerWaalsContact O-CA 3.31Å; I143-V172 WeakPolarHBondContact O-CA 3.31Å; I143-V172 WeakPolarHBondContact O-CG2 3.24Å; I143-R173 PolarHBondContact N-O 3.31Å; I143-R173 PolarHBondContact O-N 2.92Å; I143-Y175 HydrophobicContact CD1-CD1 4.1Å; I143-Y175 HydrophobicContact CD1-CG 4.02Å; I143-Y175 HydrophobicContact CG1-CD1 3.63Å; I143-Y175 HydrophobicContact CG1-CE1 4.31Å; I143-Y175 HydrophobicContact CG1-CG 4.08Å; I143-M207 WeakPolarHBondContact CD1-O 3.32Å; I143-Y208 HydrophobicContact CD1-CD2 4.26Å; I143-T209 HydrophobicContact CG1-CG2 4.41Å; I143-D212 WeakPolarHBondContact CG2-OD2 3.33Å
144H98Very high97.7Very high0 Ų019.1 Ų19.10%011%0.108CC..  trans-67.4-47.4-177.5-165.8-62.9000112.8L137 D146 I147 L167 D168 F169 D212L137-H144 HydrophobicContact CD2-CB 3.65Å; H144-D146 PolarHBondContact ND1-N 3.32Å; H144-D146 PolarHBondContact O-N 2.95Å; H144-I147 HydrophobicContact CB-CD1 3.66Å; H144-I147 HydrophobicContact CB-CG1 4.09Å; H144-L167 PolarHBondContact CE1-O 2.96Å; H144-L167 PolarHBondContact NE2-O 3.41Å; H144-D168 PolarHBondContact CE1-O 3.4Å; H144-D168 PolarHBondContact NE2-O 2.88Å; H144-F169 AromaticContact CD2-CD1 3.99Å; H144-F169 AromaticContact CD2-CE1 3.94Å; H144-D212 WeakPolarHBondContact CA-OD2 3.44Å; H144-D212 VanDerWaalsContact CB-OD2 3.3Å; H144-D212 WeakPolarHBondContact CB-OD2 3.36Å; H144-D212 PolarHBondContact N-OD2 2.93Å
145R97.5Very high97.6Very high35 Ų3519.2 Ų19.213%0.13211%0.108CC..SBendtrans66.73.9-177.3-47.8-165.9-54.71516.4117.3I143 I171 R173 M207 D212I143-R145 HydrophobicContact CB-CG 4.29Å; I143-R145 HydrophobicContact CG2-CG 3.78Å; R145-I171 HydrophobicContact CB-CD1 4.16Å; R145-I171 HydrophobicContact CB-CG1 4.31Å; R145-I171 VanDerWaalsContact CZ-O 3.24Å; R145-I171 PolarHBondContact NE-O 3.14Å; R145-I171 PolarHBondContact NH2-O 3.33Å; R145-R173 HydrophobicContact CG-CB 4.48Å; R145-M207 HydrophobicContact CB-CE 3.83Å; R145-M207 HydrophobicContact CB-SD 3.91Å; R145-M207 HydrophobicContact CG-CE 4.05Å; R145-M207 HydrophobicContact CG-SD 3.94Å; R145-D212 WeakPolarHBondContact CA-OD1 3.38Å; R145-D212 PolarHBondContact N-OD1 3.09Å
146D97.2Very high97.3Very high9 Ų918.4 Ų18.45%0.04811%0.114CC..  trans-144.441.8177.9-159.130.7000112.2H144 K148 N151 I171 G192 T193H144-D146 PolarHBondContact ND1-N 3.32Å; H144-D146 PolarHBondContact O-N 2.95Å; D146-K148 PolarHBondContact O-N 2.73Å; D146-K148 IonicContact OD1-NZ 3.59Å; D146-K148 WeakPolarHBondContact OD2-CE 3.4Å; D146-K148 IonicContact OD2-NZ 2.71Å; D146-K148 PolarHBondContact OD2-NZ 3.49Å; D146-N151 PolarHBondContact O-ND2 2.86Å; D146-N151 PolarHBondContact OD2-ND2 2.9Å; D146-I171 HydrophobicContact CB-CD1 3.76Å; D146-I171 HydrophobicContact CB-CG1 4.07Å; D146-G192 WeakPolarHBondContact OD1-CA 3.38Å; D146-T193 WeakPolarHBondContact OD1-CB 3.42Å; D146-T193 PolarHBondContact OD1-N 3Å; D146-T193 PolarHBondContact OD1-OG1 3.43Å
147I98.5Very high96.9Very high2 Ų219.2 Ų19.21%0.0112%0.12CC..  trans-63.8121174.7-62.3-58.2000109.4I134 H144 F152 L166 Y196 D212 A215 L216I134-I147 HydrophobicContact CD1-CD1 3.95Å; I134-I147 HydrophobicContact CD1-CG1 4.04Å; I134-I147 HydrophobicContact CD1-CG2 4.07Å; I134-I147 HydrophobicContact CG1-CD1 3.81Å; I134-I147 HydrophobicContact CG1-CG1 4.37Å; H144-I147 HydrophobicContact CB-CD1 3.66Å; H144-I147 HydrophobicContact CB-CG1 4.09Å; I147-F152 HydrophobicContact CD1-CZ 4.32Å; I147-F152 HydrophobicContact CG2-CE2 3.79Å; I147-F152 HydrophobicContact CG2-CZ 4.14Å; I147-L166 HydrophobicContact CD1-CD1 3.85Å; I147-L166 HydrophobicContact CD1-CD2 4.24Å; I147-Y196 WeakPolarHBondContact O-CB 3.37Å; I147-D212 HydrophobicContact CG1-CB 3.82Å; I147-A215 HydrophobicContact CB-CB 3.77Å; I147-A215 HydrophobicContact CG2-CB 4.18Å; I147-L216 HydrophobicContact CG2-CB 4.14Å
148K97.7Very high96.4Very high27 Ų2723.1 Ų23.112%0.11715%0.145CC..  trans-162.7160.8-17966.7-163.6-173.4-163.80111.1D146 A150 N151 F152 T193 Y196D146-K148 PolarHBondContact O-N 2.73Å; D146-K148 IonicContact OD1-NZ 3.59Å; D146-K148 WeakPolarHBondContact OD2-CE 3.4Å; D146-K148 IonicContact OD2-NZ 2.71Å; D146-K148 PolarHBondContact OD2-NZ 3.49Å; K148-A150 HydrophobicContact CG-CB 4.3Å; K148-A150 PolarHBondContact O-N 2.88Å; K148-A150 VanDerWaalsContact O-N 3.11Å; K148-N151 WeakPolarHBondContact CE-ND2 3.44Å; K148-N151 WeakPolarHBondContact CE-OD1 3.48Å; K148-N151 HydrophobicContact CG-CB 4.14Å; K148-N151 PolarHBondContact O-N 3.01Å; K148-F152 WeakPolarHBondContact O-CD2 3.3Å; K148-T193 HydrophobicContact CD-CG2 4.39Å; K148-T193 WeakPolarHBondContact CD-OG1 3.35Å; K148-T193 PolarHBondContact NZ-OG1 2.95Å; K148-Y196 HydrophobicContact CB-CD2 3.33Å; K148-Y196 HydrophobicContact CB-CE2 3.45Å; K148-Y196 VanDerWaalsContact CB-CE2 3.45Å; K148-Y196 HydrophobicContact CB-CG 4Å
149P97.9Very high95.8Very high0 Ų029.7 Ų29.70%018%0.176CC..G310 helixtrans-53.3-35.4179.3-24.629.9000114.8L106 N151 F152 Y196 T219 L223L106-P149 HydrophobicContact CB-CB 4.15Å; L106-P149 WeakPolarHBondContact CB-O 3.48Å; L106-P149 PolarHBondContact N-O 2.97Å; P149-N151 PolarHBondContact O-N 2.88Å; P149-F152 PolarHBondContact O-N 2.82Å; P149-Y196 WeakPolarHBondContact CD-OH 3.37Å; P149-Y196 HydrophobicContact CG-CE1 4.18Å; P149-T219 HydrophobicContact CG-CG2 3.87Å; P149-L223 HydrophobicContact CB-CD2 4.04Å; P149-L223 HydrophobicContact CG-CD2 4.1Å; P149-L223 HydrophobicContact CG-CG 4.26Å
150A96.4Very high95.4Very high42 Ų4229.1 Ų29.135%0.34717%0.17SC..G310 helixtrans-70.1-18.5-178.200000113.9N105 K148N105-A150 WeakPolarHBondContact CB-O 3.39Å; K148-A150 HydrophobicContact CG-CB 4.3Å; K148-A150 PolarHBondContact O-N 2.88Å; K148-A150 VanDerWaalsContact O-N 3.11Å
151N97.6Very high95Very high10 Ų1030.6 Ų30.65%0.05317%0.167CC..G310 helixtrans-98.52.5-179.9-72.2-2.7000112.6D146 K148 P149 L166 L167D146-N151 PolarHBondContact O-ND2 2.86Å; D146-N151 PolarHBondContact OD2-ND2 2.9Å; K148-N151 WeakPolarHBondContact CE-ND2 3.44Å; K148-N151 WeakPolarHBondContact CE-OD1 3.48Å; K148-N151 HydrophobicContact CG-CB 4.14Å; K148-N151 PolarHBondContact O-N 3.01Å; P149-N151 PolarHBondContact O-N 2.88Å; N151-L166 CarbonylContact O-C 3.6Å; N151-L166 WeakPolarHBondContact O-CA 3.47Å; N151-L167 WeakPolarHBondContact CB-O 3.4Å; N151-L167 PolarHBondContact O-N 3.33Å
152F98.3Very high94.7Very high0 Ų033.1 Ų33.10%018%0.184CC..EExtended strand (participates in β ladder)trans-110.1122.1169-70.6-72.7000109.2N105 L106 C130 A133 I134 I147 K148 P149 I164 Y165 L166 L216N105-F152 CarbonylContact C-O 3.58Å; N105-F152 WeakPolarHBondContact CA-O 3.42Å; N105-F152 WeakPolarHBondContact CB-O 3.2Å; L106-F152 HydrophobicContact CD1-CB 3.51Å; L106-F152 HydrophobicContact CD1-CD2 4.35Å; L106-F152 HydrophobicContact CD1-CG 4.18Å; L106-F152 HydrophobicContact CG-CB 3.75Å; L106-F152 PolarHBondContact N-O 2.85Å; C130-F152 HydrophobicContact CB-CD1 4.38Å; C130-F152 HydrophobicContact CB-CE1 3.76Å; C130-F152 HydrophobicContact CB-CE2 4.3Å; C130-F152 HydrophobicContact CB-CZ 3.72Å; A133-F152 HydrophobicContact CB-CE1 4.43Å; I134-F152 HydrophobicContact CD1-CZ 4.36Å; I134-F152 HydrophobicContact CG1-CZ 4.44Å; I147-F152 HydrophobicContact CD1-CZ 4.32Å; I147-F152 HydrophobicContact CG2-CE2 3.79Å; I147-F152 HydrophobicContact CG2-CZ 4.14Å; K148-F152 WeakPolarHBondContact O-CD2 3.3Å; P149-F152 PolarHBondContact O-N 2.82Å; F152-I164 HydrophobicContact CB-CG2 4.2Å; F152-I164 HydrophobicContact CD1-CG2 3.62Å; F152-I164 HydrophobicContact CE1-CG2 4.43Å; F152-I164 HydrophobicContact CG-CG2 4.29Å; F152-Y165 CarbonylContact C-O 3.6Å; F152-Y165 WeakPolarHBondContact CA-O 3.3Å; F152-L166 HydrophobicContact CD1-CB 4.38Å; F152-L166 HydrophobicContact CD1-CD1 4.03Å; F152-L166 HydrophobicContact CE1-CB 4.19Å; F152-L166 HydrophobicContact CE1-CD1 3.64Å; F152-L166 HydrophobicContact CE1-CG 4.36Å; F152-L166 HydrophobicContact CZ-CD1 3.9Å; F152-L216 HydrophobicContact CE2-CD1 4.45Å
153C97.8Very high94.5Very high9 Ų935 Ų356%0.06120%0.198CC..EExtended strand (participates in β ladder)trans-117.4152.6176.8-72.70000112V102 S104 N105 I164 Y165 L167V102-C153 HydrophobicContact CB-CB 3.96Å; V102-C153 HydrophobicContact CG2-CB 3.76Å; S104-C153 WeakPolarHBondContact O-CA 3.36Å; N105-C153 VanDerWaalsContact CA-SG 3.55Å; N105-C153 VanDerWaalsContact CB-SG 3.53Å; C153-I164 WeakPolarHBondContact O-CA 3.38Å; C153-Y165 PolarHBondContact N-O 2.86Å; C153-Y165 PolarHBondContact O-N 2.9Å; C153-L167 HydrophobicContact CB-CD1 4Å; C153-L167 WeakPolarHBondContact SG-CD1 3.24Å
154I97.4Very high94.5Very high7 Ų735 Ų354%0.03620%0.198CC..EExtended strand (participates in β ladder)trans-81.5169.7167.861.7169.8000111.1G103 S104 L109 R161 C163 I164 W301G103-I154 WeakPolarHBondContact CA-O 3.47Å; G103-I154 PolarHBondContact N-O 2.82Å; S104-I154 PolarHBondContact O-N 3.35Å; S104-I154 VanDerWaalsContact O-N 3.11Å; L109-I154 HydrophobicContact CD1-CB 4.45Å; L109-I154 HydrophobicContact CD1-CD1 3.92Å; L109-I154 HydrophobicContact CD1-CG1 4.04Å; L109-I154 HydrophobicContact CD1-CG2 3.63Å; L109-I154 HydrophobicContact CD2-CD1 4.17Å; I154-R161 HydrophobicContact CD1-CB 4.41Å; I154-R161 HydrophobicContact CD1-CG 4.17Å; I154-R161 WeakPolarHBondContact CG2-O 3.24Å; I154-C163 VanDerWaalsContact CA-O 3.27Å; I154-C163 WeakPolarHBondContact CA-O 3.27Å; I154-I164 HydrophobicContact CG2-CD1 4.02Å; I154-W301 HydrophobicContact CG2-CZ2 3.76Å
155G95.5Very high94.5Very high2 Ų236.7 Ų36.72%0.02120%0.204CC..EExtended strand (participates in β ladder)trans-62.2150.9170.400000113.5H160 C163G155-H160 WeakPolarHBondContact CA-O 3.36Å; G155-H160 PolarHBondContact N-O 2.86Å; G155-C163 PolarHBondContact N-O 3.42Å
156A92.4Very high94.5Very high46 Ų4635 Ų3538%0.3820%0.198SC..SBendtrans-75.6-23.5-177.800000114.1L101L101-A156 HydrophobicContact CB-CB 4.48Å; L101-A156 HydrophobicContact CG-CB 4.24Å
157V90.1Very high94.4Very high63 Ų6336.2 Ų36.238%0.38220%0.204SC..SBendtrans-107.8151.1-178.5-61.50000110.4E159 H160 R161V157-E159 WeakPolarHBondContact CB-OE2 3.28Å; V157-E159 WeakPolarHBondContact CG2-OE2 3.5Å; V157-E159 PolarHBondContact O-N 3.08Å; V157-E159 VanDerWaalsContact O-N 3.14Å; V157-H160 HydrophobicContact CG2-CB 4Å; V157-H160 WeakPolarHBondContact CG2-ND1 3.24Å; V157-H160 PolarHBondContact O-N 3.33Å; V157-R161 PolarHBondContact O-N 2.89Å
158P86.6Confident94.2Very high81 Ų8136.8 Ų36.853%0.52621%0.207SC..G310 helixtrans-49.7-40.5-176.3-29.737.3000114.2H160 R161P158-H160 PolarHBondContact O-N 3.28Å; P158-R161 PolarHBondContact O-N 3.09Å
159E87.2Confident94.1Very high141 Ų14135.6 Ų35.666%0.65920%0.202SC*.G310 helixtrans-68.1-19.3-176.4-55.872.7-154.900113V157V157-E159 WeakPolarHBondContact CB-OE2 3.28Å; V157-E159 WeakPolarHBondContact CG2-OE2 3.5Å; V157-E159 PolarHBondContact O-N 3.08Å; V157-E159 VanDerWaalsContact O-N 3.14Å
160H88.3Confident93.6Very high89 Ų8936.1 Ų36.141%0.41221%0.208SC..G310 helixtrans-111.210.9-178-60.6162.5000112.8G155 V157 P158 S162 C163G155-H160 WeakPolarHBondContact CA-O 3.36Å; G155-H160 PolarHBondContact N-O 2.86Å; V157-H160 HydrophobicContact CG2-CB 4Å; V157-H160 WeakPolarHBondContact CG2-ND1 3.24Å; V157-H160 PolarHBondContact O-N 3.33Å; P158-H160 PolarHBondContact O-N 3.28Å; H160-S162 PolarHBondContact O-N 2.91Å; H160-C163 HydrophobicContact CB-CB 4.44Å; H160-C163 VanDerWaalsContact O-CB 3.3Å; H160-C163 WeakPolarHBondContact O-CB 3.4Å; H160-C163 PolarHBondContact O-N 3.2Å
161R88.5Confident93.4Very high70 Ų7035.3 Ų35.326%0.26420%0.198SC..THydrogen-bonded Turntrans-66.7-15.7-179.2-73.8-173.4164.9159.3-14.9114.4I154 V157 P158 W301 E305I154-R161 HydrophobicContact CD1-CB 4.41Å; I154-R161 HydrophobicContact CD1-CG 4.17Å; I154-R161 WeakPolarHBondContact CG2-O 3.24Å; V157-R161 PolarHBondContact O-N 2.89Å; P158-R161 PolarHBondContact O-N 3.09Å; R161-W301 PolarHBondContact O-NE1 3.06Å; R161-E305 IonicContact CZ-OE1 2.9Å; R161-E305 IonicContact CZ-OE2 2.99Å; R161-E305 IonicContact NE-OE1 3.59Å; R161-E305 IonicContact NE-OE2 3Å; R161-E305 IonicContact NH1-OE1 2.92Å; R161-E305 PolarHBondContact NH1-OE1 3Å; R161-E305 IonicContact NH1-OE2 2.58Å; R161-E305 PolarHBondContact NH1-OE2 2.75Å; R161-E305 IonicContact NH2-OE1 2.59Å; R161-E305 PolarHBondContact NH2-OE1 3.17Å; R161-E305 IonicContact NH2-OE2 3.14Å
162S89.7Confident93.3Very high57 Ų5735.7 Ų35.740%0.39920%0.2SC..THydrogen-bonded Turntrans-88.6-12.4171.760.20000113.5H160H160-S162 PolarHBondContact O-N 2.91Å
163C93.4Very high93.2Very high45 Ų4537 Ų3730%0.30421%0.205SC..  trans-79.5139.1175.6-58.10000110.6I154 G155 H160 Y165I154-C163 VanDerWaalsContact CA-O 3.27Å; I154-C163 WeakPolarHBondContact CA-O 3.27Å; G155-C163 PolarHBondContact N-O 3.42Å; H160-C163 HydrophobicContact CB-CB 4.44Å; H160-C163 VanDerWaalsContact O-CB 3.3Å; H160-C163 WeakPolarHBondContact O-CB 3.4Å; H160-C163 PolarHBondContact O-N 3.2Å; C163-Y165 HydrophobicContact CB-CE2 3.8Å
164I97.6Very high93.1Very high1 Ų139.9 Ų39.91%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-111.9126.9176.7-61.3-60.4000110.2H81 L106 L126 F152 C153 I154H81-I164 WeakPolarHBondContact CA-O 3.47Å; H81-I164 PolarHBondContact ND1-O 3.34Å; H81-I164 VanDerWaalsContact ND1-O 3.16Å; L106-I164 HydrophobicContact CD2-CD1 4.24Å; L126-I164 HydrophobicContact CD2-CD1 3.62Å; L126-I164 HydrophobicContact CD2-CG1 3.94Å; F152-I164 HydrophobicContact CB-CG2 4.2Å; F152-I164 HydrophobicContact CD1-CG2 3.62Å; F152-I164 HydrophobicContact CE1-CG2 4.43Å; F152-I164 HydrophobicContact CG-CG2 4.29Å; C153-I164 WeakPolarHBondContact O-CA 3.38Å; I154-I164 HydrophobicContact CG2-CD1 4.02Å
165Y98.2Very high93.1Very high34 Ų3440.5 Ų40.513%0.13322%0.22CC..EExtended strand (participates in β ladder)trans-110.1126.4177.7-62.4-92000110.4H81 V102 F152 C153 C163H81-Y165 CarbonylContact O-C 3.57Å; H81-Y165 VanDerWaalsContact O-CA 3.29Å; H81-Y165 WeakPolarHBondContact O-CA 3.43Å; V102-Y165 HydrophobicContact CG1-CD1 4.03Å; V102-Y165 HydrophobicContact CG1-CD2 3.8Å; V102-Y165 HydrophobicContact CG1-CE2 4.34Å; V102-Y165 HydrophobicContact CG1-CG 3.63Å; F152-Y165 CarbonylContact C-O 3.6Å; F152-Y165 WeakPolarHBondContact CA-O 3.3Å; C153-Y165 PolarHBondContact N-O 2.86Å; C153-Y165 PolarHBondContact O-N 2.9Å; C163-Y165 HydrophobicContact CB-CE2 3.8Å
166L98.4Very high93.1Very high0 Ų042.8 Ų42.80%023%0.231CC..EExtended strand (participates in β ladder)trans-86133.4170.4-178.157.5000109.6H81 F82 A133 L137 I147 N151 F152 F169H81-L166 PolarHBondContact O-N 3.31Å; F82-L166 HydrophobicContact CE1-CB 4.41Å; F82-L166 HydrophobicContact CE1-CD2 4.37Å; F82-L166 HydrophobicContact CZ-CB 4.47Å; F82-L166 HydrophobicContact CZ-CD2 4.2Å; A133-L166 HydrophobicContact CB-CB 4.26Å; L137-L166 HydrophobicContact CD2-CD2 4.3Å; I147-L166 HydrophobicContact CD1-CD1 3.85Å; I147-L166 HydrophobicContact CD1-CD2 4.24Å; N151-L166 CarbonylContact O-C 3.6Å; N151-L166 WeakPolarHBondContact O-CA 3.47Å; F152-L166 HydrophobicContact CD1-CB 4.38Å; F152-L166 HydrophobicContact CD1-CD1 4.03Å; F152-L166 HydrophobicContact CE1-CB 4.19Å; F152-L166 HydrophobicContact CE1-CD1 3.64Å; F152-L166 HydrophobicContact CE1-CG 4.36Å; F152-L166 HydrophobicContact CZ-CD1 3.9Å; L166-F169 HydrophobicContact CD2-CE1 4.45Å; L166-F169 HydrophobicContact CG-CE1 4.12Å; L166-F169 VanDerWaalsContact O-CZ 3.26Å; L166-F169 WeakPolarHBondContact O-CZ 3.26Å
167L95.7Very high93.2Very high34 Ų3442.9 Ų42.918%0.17823%0.227CC..  trans-129167.2-173.3-55.1-176.1000112.8C83 V102 H144 N151 C153C83-L167 WeakPolarHBondContact SG-CD2 3.4Å; V102-L167 HydrophobicContact CG2-CD1 3.89Å; V102-L167 HydrophobicContact CG2-CD2 4.29Å; H144-L167 PolarHBondContact CE1-O 2.96Å; H144-L167 PolarHBondContact NE2-O 3.41Å; N151-L167 WeakPolarHBondContact CB-O 3.4Å; N151-L167 PolarHBondContact O-N 3.33Å; C153-L167 HydrophobicContact CB-CD1 4Å; C153-L167 WeakPolarHBondContact SG-CD1 3.24Å
168D93.6Very high93.3Very high14 Ų1446.8 Ų46.88%0.07525%0.246CC..  trans64.675.8172.7-154.4-3.4000114.8S36 K55 H144 G170S36-D168 PolarHBondContact N-OD2 3.15Å; K55-D168 IonicContact NZ-OD1 3.82Å; K55-D168 PolarHBondContact NZ-OD1 3.46Å; H144-D168 PolarHBondContact CE1-O 3.4Å; H144-D168 PolarHBondContact NE2-O 2.88Å; D168-G170 PolarHBondContact O-N 3.3Å; D168-G170 PolarHBondContact OD1-N 2.68Å
169F95.1Very high93.5Very high2 Ų252.8 Ų52.81%0.00926%0.263CS..  trans-85.317.3178-49.4-65.2000113.3E69 V72 L73 F82 L137 H144 L166 I171 V172E69-F169 HydrophobicContact CB-CB 4.5Å; E69-F169 HydrophobicContact CG-CB 4.16Å; E69-F169 HydrophobicContact CG-CD2 3.89Å; V72-F169 HydrophobicContact CB-CB 4.23Å; V72-F169 HydrophobicContact CB-CD2 4.27Å; V72-F169 HydrophobicContact CB-CG 4.12Å; V72-F169 HydrophobicContact CG1-CB 4.31Å; V72-F169 HydrophobicContact CG1-CD1 3.9Å; V72-F169 HydrophobicContact CG1-CD2 3.95Å; V72-F169 HydrophobicContact CG1-CE1 4.27Å; V72-F169 HydrophobicContact CG1-CE2 4.34Å; V72-F169 HydrophobicContact CG1-CG 3.74Å; V72-F169 HydrophobicContact CG1-CZ 4.49Å; V72-F169 HydrophobicContact CG2-CB 4.31Å; L73-F169 HydrophobicContact CD2-CD2 4.18Å; L73-F169 HydrophobicContact CD2-CE2 3.53Å; L73-F169 HydrophobicContact CD2-CZ 4.47Å; L73-F169 HydrophobicContact CG-CD2 4.3Å; L73-F169 HydrophobicContact CG-CE2 4.14Å; F82-F169 HydrophobicContact CD1-CE1 4.04Å; F82-F169 HydrophobicContact CD1-CE2 4.1Å; F82-F169 AromaticContact CD1-CZ 3.37Å; F82-F169 HydrophobicContact CD1-CZ 3.37Å; F82-F169 AromaticContact CE1-CE1 3.6Å; F82-F169 HydrophobicContact CE1-CE1 3.6Å; F82-F169 HydrophobicContact CE1-CE2 4.48Å; F82-F169 AromaticContact CE1-CZ 3.44Å; F82-F169 HydrophobicContact CE1-CZ 3.44Å; F82-F169 VanDerWaalsContact CE1-CZ 3.44Å; L137-F169 HydrophobicContact CD1-CE1 4.47Å; H144-F169 AromaticContact CD2-CD1 3.99Å; H144-F169 AromaticContact CD2-CE1 3.94Å; L166-F169 HydrophobicContact CD2-CE1 4.45Å; L166-F169 HydrophobicContact CG-CE1 4.12Å; L166-F169 VanDerWaalsContact O-CZ 3.26Å; L166-F169 WeakPolarHBondContact O-CZ 3.26Å; F169-I171 PolarHBondContact O-N 2.75Å; F169-I171 VanDerWaalsContact O-N 3.16Å; F169-V172 HydrophobicContact CB-CB 4.15Å; F169-V172 HydrophobicContact CB-CG1 4.21Å; F169-V172 VanDerWaalsContact O-CB 3.29Å; F169-V172 WeakPolarHBondContact O-CB 3.47Å; F169-V172 WeakPolarHBondContact O-CG1 3.38Å; F169-V172 PolarHBondContact O-N 2.72Å; F169-V172 VanDerWaalsContact O-N 3.11Å
170G88.7Confident93.9Very high12 Ų1255.4 Ų55.412%0.12427%0.267CS..THydrogen-bonded Turntrans-64.6-23.1-170.600000115D168D168-G170 PolarHBondContact O-N 3.3Å; D168-G170 PolarHBondContact OD1-N 2.68Å
171I92Very high94.3Very high25 Ų2554.4 Ų54.413%0.12827%0.267CS..THydrogen-bonded Turntrans-115.315.8175.270.1168.7000113.8F37 R145 D146 F169F37-I171 HydrophobicContact CE2-CG2 3.56Å; F37-I171 HydrophobicContact CZ-CG2 3.33Å; R145-I171 HydrophobicContact CB-CD1 4.16Å; R145-I171 HydrophobicContact CB-CG1 4.31Å; R145-I171 VanDerWaalsContact CZ-O 3.24Å; R145-I171 PolarHBondContact NE-O 3.14Å; R145-I171 PolarHBondContact NH2-O 3.33Å; D146-I171 HydrophobicContact CB-CD1 3.76Å; D146-I171 HydrophobicContact CB-CG1 4.07Å; F169-I171 PolarHBondContact O-N 2.75Å; F169-I171 VanDerWaalsContact O-N 3.16Å
172V95.4Very high94.7Very high18 Ų1856.1 Ų56.111%0.10927%0.274CS..  trans-58.3149.2179.875.70000111.3T68 V72 F142 I143 F169T68-V172 HydrophobicContact CG2-CG1 3.28Å; V72-V172 HydrophobicContact CG2-CG1 3.82Å; V72-V172 HydrophobicContact CG2-CG2 4.32Å; F142-V172 HydrophobicContact CB-CG2 3.69Å; F142-V172 HydrophobicContact CD1-CG2 4.13Å; F142-V172 HydrophobicContact CG-CG2 4.23Å; I143-V172 CarbonylContact O-C 3.54Å; I143-V172 VanDerWaalsContact O-CA 3.31Å; I143-V172 WeakPolarHBondContact O-CA 3.31Å; I143-V172 WeakPolarHBondContact O-CG2 3.24Å; F169-V172 HydrophobicContact CB-CB 4.15Å; F169-V172 HydrophobicContact CB-CG1 4.21Å; F169-V172 VanDerWaalsContact O-CB 3.29Å; F169-V172 WeakPolarHBondContact O-CB 3.47Å; F169-V172 WeakPolarHBondContact O-CG1 3.38Å; F169-V172 PolarHBondContact O-N 2.72Å; F169-V172 VanDerWaalsContact O-N 3.11Å
173R95.3Very high94.9Very high27 Ų2758.7 Ų58.710%0.10229%0.289CS..EExtended strand (participates in β ladder)trans-125.8118.5179.8-179.570.3-179.876.517.8110.5F142 I143 R145 Y175 E206F142-R173 CarbonylContact C-O 3.42Å; F142-R173 WeakPolarHBondContact CA-O 3.49Å; I143-R173 PolarHBondContact N-O 3.31Å; I143-R173 PolarHBondContact O-N 2.92Å; R145-R173 HydrophobicContact CG-CB 4.48Å; R173-Y175 PolarHBondContact O-N 3.14Å; R173-Y175 VanDerWaalsContact O-N 3.1Å; R173-E206 IonicContact NH2-OE2 2.97Å
174Q96.2Very high95Very high69 Ų6960 Ų6032%0.32230%0.297SS..EExtended strand (participates in β ladder)trans-73.298.2173-172.3-178.24.900111.6G141 F142 I176 V177 R182G141-Q174 CarbonylContact O-C 3.54Å; G141-Q174 WeakPolarHBondContact O-CA 3.31Å; F142-Q174 HydrophobicContact CD1-CB 3.8Å; F142-Q174 HydrophobicContact CD1-CG 4.15Å; F142-Q174 HydrophobicContact CE1-CB 3.73Å; F142-Q174 HydrophobicContact CE1-CG 3.85Å; F142-Q174 HydrophobicContact CZ-CG 4.44Å; Q174-I176 VanDerWaalsContact CG-O 3.24Å; Q174-I176 WeakPolarHBondContact CG-O 3.47Å; Q174-I176 PolarHBondContact NE2-O 3.11Å; Q174-V177 HydrophobicContact CG-CG2 4.19Å; Q174-R182 VanDerWaalsContact O-CD 3.25Å; Q174-R182 WeakPolarHBondContact O-CD 3.22Å
175Y96.5Very high94.9Very high20 Ų2065 Ų658%0.07832%0.316CS..  trans-84-20.1-177.477.7-81000113.4H138 G141 I143 R173 V181 R182 Y208 T209H138-Y175 WeakPolarHBondContact O-CE1 3.12Å; H138-Y175 PolarHBondContact O-OH 2.95Å; G141-Y175 WeakPolarHBondContact O-CD1 3.43Å; G141-Y175 PolarHBondContact O-N 3.33Å; I143-Y175 HydrophobicContact CD1-CD1 4.1Å; I143-Y175 HydrophobicContact CD1-CG 4.02Å; I143-Y175 HydrophobicContact CG1-CD1 3.63Å; I143-Y175 HydrophobicContact CG1-CE1 4.31Å; I143-Y175 HydrophobicContact CG1-CG 4.08Å; R173-Y175 PolarHBondContact O-N 3.14Å; R173-Y175 VanDerWaalsContact O-N 3.1Å; Y175-V181 HydrophobicContact CD2-CG1 4.49Å; Y175-V181 WeakPolarHBondContact O-CA 3.3Å; Y175-R182 PolarHBondContact O-N 2.97Å; Y175-Y208 HydrophobicContact CD2-CD2 4.29Å; Y175-Y208 AromaticContact CD2-CE2 3.37Å; Y175-Y208 HydrophobicContact CD2-CE2 3.37Å; Y175-Y208 AromaticContact CD2-CZ 3.76Å; Y175-Y208 AromaticContact CE2-CE2 3.87Å; Y175-Y208 HydrophobicContact CE2-CE2 3.87Å; Y175-Y208 AromaticContact CE2-CZ 3.75Å; Y175-Y208 WeakPolarHBondContact CE2-OH 3.46Å; Y175-Y208 HydrophobicContact CG-CE2 4.12Å; Y175-T209 HydrophobicContact CE1-CG2 3.95Å; Y175-T209 HydrophobicContact CE2-CG2 4.17Å
176I96.3Very high94.6Very high50 Ų5072.3 Ų72.326%0.25635%0.353SS..EExtended strand (participates in β ladder)trans-106.1121.9173.8-56.5-177.6000110.4G141 Q174 R180G141-I176 PolarHBondContact O-N 3.42Å; Q174-I176 VanDerWaalsContact CG-O 3.24Å; Q174-I176 WeakPolarHBondContact CG-O 3.47Å; Q174-I176 PolarHBondContact NE2-O 3.11Å; I176-R180 WeakPolarHBondContact CA-O 3.31Å
177V93.6Very high94.2Very high49 Ų4978 Ų7830%0.29739%0.388SS..EExtended strand (participates in β ladder)trans-129.8133171.2176.50000107.7Q174 K179 R180 R182Q174-V177 HydrophobicContact CG-CG2 4.19Å; V177-K179 PolarHBondContact O-N 3.16Å; V177-R180 PolarHBondContact N-O 2.86Å; V177-R180 PolarHBondContact O-N 3.46Å; V177-R180 VanDerWaalsContact O-O 3.1Å; V177-R182 HydrophobicContact CB-CG 4.28Å; V177-R182 HydrophobicContact CG2-CG 4.03Å
178D92.6Very high94Very high145 Ų14577.2 Ų77.278%0.77539%0.385SS*.THydrogen-bonded Turntrans50.242.9-176.8-55-37.8000113.6R180D178-R180 PolarHBondContact O-N 3.46Å
179K91.7Very high93.8Very high207 Ų20785 Ų8590%0.942%0.421SS*.THydrogen-bonded Turntrans60.717.3-177.5-53.6178.5179.3178.50114.6V177V177-K179 PolarHBondContact O-N 3.16Å
180R95.2Very high93.5Very high196 Ų19688.2 Ų88.274%0.7443%0.433SS*.EExtended strand (participates in β ladder)trans-119.7141.7177.6-64.6-178.6179.7-172-0110.8I176 V177 D178 R182I176-R180 WeakPolarHBondContact CA-O 3.31Å; V177-R180 PolarHBondContact N-O 2.86Å; V177-R180 PolarHBondContact O-N 3.46Å; V177-R180 VanDerWaalsContact O-O 3.1Å; D178-R180 PolarHBondContact O-N 3.46Å; R180-R182 PolarHBondContact O-N 3.44Å
181V96.3Very high93.3Very high67 Ų6788.5 Ų88.541%0.40644%0.437SS..EExtended strand (participates in β ladder)trans-67.3126.9170.2179.50000108.2Y175 Y208 Y271Y175-V181 HydrophobicContact CD2-CG1 4.49Å; Y175-V181 WeakPolarHBondContact O-CA 3.3Å; V181-Y208 HydrophobicContact CG1-CE2 3.82Å; V181-Y208 WeakPolarHBondContact CG2-OH 3.49Å; V181-Y271 HydrophobicContact CG1-CE1 3.88Å
182R96.3Very high93.3Very high107 Ų10788.5 Ų88.540%0.40444%0.443SS..PPolyproline II helixtrans-64.1142.7175.9-70.2177.970.4158.90.1109.7Q174 Y175 V177 R180 Y271Q174-R182 VanDerWaalsContact O-CD 3.25Å; Q174-R182 WeakPolarHBondContact O-CD 3.22Å; Y175-R182 PolarHBondContact O-N 2.97Å; V177-R182 HydrophobicContact CB-CG 4.28Å; V177-R182 HydrophobicContact CG2-CG 4.03Å; R180-R182 PolarHBondContact O-N 3.44Å; R182-Y271 WeakPolarHBondContact O-CE1 3.32Å; R182-Y271 PolarHBondContact O-OH 3.19Å
183P95.6Very high93.3Very high111 Ų11189.7 Ų89.772%0.72145%0.45SS*.PPolyproline II helixtrans-56.9142.9169.4-23.633.6000110.8
184P95.8Very high93.3Very high73 Ų7389.3 Ų89.347%0.47445%0.453SS..PPolyproline II helixtrans-66.4137.917827.6-33.1000110.4E206 Y271P184-E206 HydrophobicContact CB-CB 3.77Å; P184-E206 HydrophobicContact CB-CG 4.12Å; P184-Y271 HydrophobicContact CB-CD1 3.86Å; P184-Y271 HydrophobicContact CB-CD2 4.04Å; P184-Y271 HydrophobicContact CB-CE1 3.92Å; P184-Y271 HydrophobicContact CB-CE2 4.11Å; P184-Y271 HydrophobicContact CB-CG 3.92Å; P184-Y271 HydrophobicContact CG-CD1 3.9Å; P184-Y271 HydrophobicContact CG-CE1 4.15Å; P184-Y271 HydrophobicContact CG-CG 4.28Å
185R94.9Very high93.3Very high106 Ų10688.4 Ų88.440%0.445%0.446SS..PPolyproline II helixtrans-66.8142.9168.1-68.9174.6-68.5167.23.7109.8T187 V188 E206R185-T187 VanDerWaalsContact C-N 3.33Å; R185-T187 PolarHBondContact O-N 3.34Å; R185-V188 HydrophobicContact CB-CG2 3.9Å; R185-E206 WeakPolarHBondContact CB-OE2 3.36Å; R185-E206 VanDerWaalsContact CG-OE2 3.3Å; R185-E206 WeakPolarHBondContact CG-OE2 3.18Å; R185-E206 IonicContact CZ-OE1 3.4Å; R185-E206 IonicContact CZ-OE2 2.75Å; R185-E206 PolarHBondContact N-OE2 3.43Å; R185-E206 IonicContact NE-OE1 3.33Å; R185-E206 PolarHBondContact NE-OE1 3Å; R185-E206 IonicContact NE-OE2 2.71Å; R185-E206 PolarHBondContact NE-OE2 2.59Å; R185-E206 IonicContact NH2-OE1 3.26Å; R185-E206 PolarHBondContact NH2-OE1 3.31Å; R185-E206 IonicContact NH2-OE2 3.48Å
186M91.7Very high93.4Very high186 Ų18688.1 Ų88.192%0.91645%0.445SS*.SBendtrans-64.8-38.1179.9-65.1-168.8-60.100112.5
187T89.8Confident93.4Very high120 Ų12086 Ų8674%0.73644%0.435SS*.  trans-137.8141176.752.60000109.6R185R185-T187 VanDerWaalsContact C-N 3.33Å; R185-T187 PolarHBondContact O-N 3.34Å
188V91.6Very high93.6Very high17 Ų1783.7 Ų83.710%0.10342%0.421CS..  trans-131.4130.5178.1-177.70000107.9R185 Y190 G204 E206R185-V188 HydrophobicContact CB-CG2 3.9Å; V188-Y190 PolarHBondContact O-N 2.92Å; V188-G204 PolarHBondContact N-O 3.11Å; V188-G204 VanDerWaalsContact O-CA 3.31Å; V188-G204 WeakPolarHBondContact O-CA 3.17Å; V188-E206 HydrophobicContact CG2-CB 4.22Å
189E89.1Confident93.8Very high179 Ų17977.8 Ų77.884%0.83639%0.389SS*.  trans-61.6135.1171-174.2172.4-166.900109.8G191E189-G191 PolarHBondContact O-N 2.89Å
190Y88.1Confident94Very high68 Ų6869.2 Ų69.227%0.26735%0.353SS..  trans-57.5125.6179.3178.4-86.9000110V188 G192 T193 A194 S197 A201 V236V188-Y190 PolarHBondContact O-N 2.92Å; Y190-G192 WeakPolarHBondContact CE1-O 3.4Å; Y190-G192 PolarHBondContact OH-O 3.36Å; Y190-T193 VanDerWaalsContact OH-C 3.3Å; Y190-A194 WeakPolarHBondContact OH-CA 3.42Å; Y190-A194 PolarHBondContact OH-N 3.28Å; Y190-S197 WeakPolarHBondContact OH-CB 3.21Å; Y190-S197 PolarHBondContact OH-OG 3.09Å; Y190-A201 HydrophobicContact CD2-CB 4.43Å; Y190-A201 WeakPolarHBondContact CD2-O 3.24Å; Y190-A201 HydrophobicContact CE2-CB 4.05Å; Y190-V236 HydrophobicContact CD2-CG1 4.22Å; Y190-V236 HydrophobicContact CE1-CG2 4.38Å; Y190-V236 HydrophobicContact CE2-CG1 4.24Å; Y190-V236 HydrophobicContact CG-CG1 4.45Å
191G86.1Confident94Very high19 Ų1960.1 Ų60.120%0.19632%0.32CS..  trans-132.6155.217500000111E189E189-G191 PolarHBondContact O-N 2.89Å
192G91.2Very high93.9Very high25 Ų2557.9 Ų57.926%0.25831%0.305SS..SBendtrans87.5-177.3178.700000114.1D146 Y190 A194D146-G192 WeakPolarHBondContact OD1-CA 3.38Å; Y190-G192 WeakPolarHBondContact CE1-O 3.4Å; Y190-G192 PolarHBondContact OH-O 3.36Å; G192-A194 PolarHBondContact O-N 2.76Å
193T94.6Very high93.9Very high43 Ų4356.3 Ų56.326%0.26430%0.302SS..  trans-87.7113.5-168.9-53.90000111.6D146 K148 Y190 R195 Y196 S197D146-T193 WeakPolarHBondContact OD1-CB 3.42Å; D146-T193 PolarHBondContact OD1-N 3Å; D146-T193 PolarHBondContact OD1-OG1 3.43Å; K148-T193 HydrophobicContact CD-CG2 4.39Å; K148-T193 WeakPolarHBondContact CD-OG1 3.35Å; K148-T193 PolarHBondContact NZ-OG1 2.95Å; Y190-T193 VanDerWaalsContact OH-C 3.3Å; T193-R195 HydrophobicContact CG2-CB 4.27Å; T193-R195 PolarHBondContact O-N 3.17Å; T193-Y196 HydrophobicContact CG2-CD2 3.69Å; T193-Y196 HydrophobicContact CG2-CE2 3.82Å; T193-Y196 PolarHBondContact O-N 2.93Å; T193-S197 PolarHBondContact O-N 3.01Å
194A96Very high93.8Very high19 Ų1952 Ų5216%0.15728%0.277CS..THydrogen-bonded Turntrans-47.9-38.1-173.600000114.2Y190 G192 Y196 S197 H202 V236 T239 K243Y190-A194 WeakPolarHBondContact OH-CA 3.42Å; Y190-A194 PolarHBondContact OH-N 3.28Å; G192-A194 PolarHBondContact O-N 2.76Å; A194-Y196 VanDerWaalsContact C-N 3.33Å; A194-Y196 PolarHBondContact O-N 3.2Å; A194-S197 WeakPolarHBondContact CA-OG 3.45Å; A194-S197 PolarHBondContact O-OG 2.69Å; A194-H202 PolarHBondContact O-NE2 2.77Å; A194-H202 VanDerWaalsContact O-NE2 3.12Å; A194-V236 HydrophobicContact CB-CG2 4.19Å; A194-T239 VanDerWaalsContact O-CG2 3.26Å; A194-T239 WeakPolarHBondContact O-CG2 3.42Å; A194-K243 PolarHBondContact O-NZ 3.16Å
195R96.7Very high93.8Very high49 Ų4955 Ų5519%0.18528%0.279CS..THydrogen-bonded Turntrans-56.6-41.8178179.8-179.5-78-164.6-26.2113.2T193 E222 L228 W230 V232 K243T193-R195 HydrophobicContact CG2-CB 4.27Å; T193-R195 PolarHBondContact O-N 3.17Å; R195-E222 WeakPolarHBondContact CD-OE1 3.15Å; R195-E222 IonicContact CZ-OE1 3.61Å; R195-E222 IonicContact NE-OE1 3.99Å; R195-E222 IonicContact NH1-OE1 3.6Å; R195-E222 PolarHBondContact NH1-OE1 3.3Å; R195-E222 IonicContact NH2-OE1 2.68Å; R195-L228 HydrophobicContact CG-CD1 3.64Å; R195-W230 PolarHBondContact O-NE1 2.84Å; R195-V232 VanDerWaalsContact NH2-CB 3.33Å; R195-K243 PolarHBondContact O-NZ 3.36Å; R195-K243 VanDerWaalsContact O-NZ 3.07Å
196Y97.9Very high93.8Very high14 Ų1450.4 Ų50.46%0.05526%0.262CS..THydrogen-bonded Turntrans-105.6-17.7-173.8-47-76.4000112.9I147 K148 P149 T193 A194 A215 F218 E222 L228I147-Y196 WeakPolarHBondContact O-CB 3.37Å; K148-Y196 HydrophobicContact CB-CD2 3.33Å; K148-Y196 HydrophobicContact CB-CE2 3.45Å; K148-Y196 VanDerWaalsContact CB-CE2 3.45Å; K148-Y196 HydrophobicContact CB-CG 4Å; P149-Y196 WeakPolarHBondContact CD-OH 3.37Å; P149-Y196 HydrophobicContact CG-CE1 4.18Å; T193-Y196 HydrophobicContact CG2-CD2 3.69Å; T193-Y196 HydrophobicContact CG2-CE2 3.82Å; T193-Y196 PolarHBondContact O-N 2.93Å; A194-Y196 VanDerWaalsContact C-N 3.33Å; A194-Y196 PolarHBondContact O-N 3.2Å; Y196-A215 WeakPolarHBondContact O-CA 3.15Å; Y196-A215 WeakPolarHBondContact O-CB 3.28Å; Y196-F218 HydrophobicContact CD1-CB 4.32Å; Y196-F218 WeakPolarHBondContact O-CD2 3.22Å; Y196-E222 HydrophobicContact CE1-CB 4.47Å; Y196-E222 PolarHBondContact OH-OE1 2.96Å; Y196-E222 PolarHBondContact OH-OE2 2.84Å; Y196-L228 HydrophobicContact CD1-CD1 4.31Å; Y196-L228 HydrophobicContact CE1-CD1 4.24Å
197S97Very high94.1Very high6 Ų642.1 Ų42.14%0.04222%0.221CC..  trans-63.8145.3-17759.60000113.3Y190 T193 A194 H202 K243Y190-S197 WeakPolarHBondContact OH-CB 3.21Å; Y190-S197 PolarHBondContact OH-OG 3.09Å; T193-S197 PolarHBondContact O-N 3.01Å; A194-S197 WeakPolarHBondContact CA-OG 3.45Å; A194-S197 PolarHBondContact O-OG 2.69Å; S197-H202 PolarHBondContact OG-CD2 3.25Å; S197-H202 PolarHBondContact OG-NE2 2.91Å; S197-K243 PolarHBondContact O-NZ 2.66Å
198S97.1Very high94.4Very high1 Ų136.6 Ų36.61%0.00719%0.187CC..  trans-69.2163.6176.976.20000111.9N200 A201 H202 D211S198-N200 PolarHBondContact O-N 3.12Å; S198-N200 VanDerWaalsContact O-N 3.15Å; S198-N200 PolarHBondContact OG-N 3Å; S198-A201 WeakPolarHBondContact O-CB 3.45Å; S198-A201 PolarHBondContact O-N 2.83Å; S198-H202 PolarHBondContact O-CD2 2.82Å; S198-H202 VanDerWaalsContact O-CD2 3.3Å; S198-H202 PolarHBondContact O-N 3.01Å; S198-D211 WeakPolarHBondContact CB-OD1 3.25Å; S198-D211 VanDerWaalsContact OG-CG 3.26Å; S198-D211 PolarHBondContact OG-OD1 3.1Å
199L96.3Very high94.8Very high20 Ų2036 Ų3611%0.10518%0.184CC..Hα-helixtrans-58.5-26.2173.7-73.2179.7000113.2A201 H202 H203 E240 K243 N244 M267L199-A201 VanDerWaalsContact C-N 3.33Å; L199-A201 PolarHBondContact O-N 2.96Å; L199-H202 PolarHBondContact O-N 2.88Å; L199-H203 PolarHBondContact O-N 3.45Å; L199-H203 PolarHBondContact O-ND1 2.95Å; L199-E240 HydrophobicContact CD2-CG 4.17Å; L199-K243 HydrophobicContact CD2-CB 3.83Å; L199-K243 HydrophobicContact CD2-CD 4.41Å; L199-N244 VanDerWaalsContact CD1-OD1 3.28Å; L199-N244 WeakPolarHBondContact CD1-OD1 3.3Å; L199-M267 HydrophobicContact CD1-CE 3.76Å
200N96.1Very high95.2Very high28 Ų2827.8 Ų27.815%0.1515%0.145CC..Hα-helixtrans-64.3-39.9175.1-69.2-42.9000111.9S198 H203 G204 R205 Y210 D211S198-N200 PolarHBondContact O-N 3.12Å; S198-N200 VanDerWaalsContact O-N 3.15Å; S198-N200 PolarHBondContact OG-N 3Å; N200-H203 PolarHBondContact O-N 3.49Å; N200-G204 PolarHBondContact O-N 3.22Å; N200-R205 HydrophobicContact CB-CB 4.18Å; N200-R205 WeakPolarHBondContact O-CB 3.24Å; N200-R205 PolarHBondContact O-N 3.16Å; N200-R205 WeakPolarHBondContact OD1-CD 3.39Å; N200-R205 PolarHBondContact OD1-NH1 3.27Å; N200-Y210 WeakPolarHBondContact ND2-CE2 3.11Å; N200-D211 PolarHBondContact ND2-OD1 3.39Å
201A95.8Very high95.7Very high5 Ų524.6 Ų24.64%0.04113%0.132CC..Hα-helixtrans-61.8-48.5173.800000110.8Y190 S198 L199 H203 G204 M207Y190-A201 HydrophobicContact CD2-CB 4.43Å; Y190-A201 WeakPolarHBondContact CD2-O 3.24Å; Y190-A201 HydrophobicContact CE2-CB 4.05Å; S198-A201 WeakPolarHBondContact O-CB 3.45Å; S198-A201 PolarHBondContact O-N 2.83Å; L199-A201 VanDerWaalsContact C-N 3.33Å; L199-A201 PolarHBondContact O-N 2.96Å; A201-H203 VanDerWaalsContact C-N 3.25Å; A201-H203 PolarHBondContact O-N 3.12Å; A201-G204 PolarHBondContact O-N 3.45Å; A201-M207 HydrophobicContact CB-CE 4.41Å; A201-M207 HydrophobicContact CB-CG 4.26Å; A201-M207 HydrophobicContact CB-SD 3.84Å
202H95.4Very high96.3Very high19 Ų1923.7 Ų23.79%0.08812%0.123CC..Hα-helixtrans-55.6-38.8177.2-76.3-89000112.6A194 S197 S198 L199 G204 V236 E240 K243A194-H202 PolarHBondContact O-NE2 2.77Å; A194-H202 VanDerWaalsContact O-NE2 3.12Å; S197-H202 PolarHBondContact OG-CD2 3.25Å; S197-H202 PolarHBondContact OG-NE2 2.91Å; S198-H202 PolarHBondContact O-CD2 2.82Å; S198-H202 VanDerWaalsContact O-CD2 3.3Å; S198-H202 PolarHBondContact O-N 3.01Å; L199-H202 PolarHBondContact O-N 2.88Å; H202-G204 VanDerWaalsContact C-N 3.28Å; H202-G204 PolarHBondContact O-N 3.46Å; H202-V236 PolarHBondContact CE1-O 3.01Å; H202-V236 PolarHBondContact ND1-O 3.11Å; H202-E240 HydrophobicContact CB-CB 4.18Å; H202-E240 HydrophobicContact CB-CG 3.91Å; H202-K243 PolarHBondContact NE2-NZ 3.1Å
203H94.9Very high96.7Very high75 Ų7522.6 Ų22.635%0.34711%0.112SC..THydrogen-bonded Turntrans-82.76.2178.3-57.7140.8000114.8L199 N200 A201 R205 E240L199-H203 PolarHBondContact O-N 3.45Å; L199-H203 PolarHBondContact O-ND1 2.95Å; N200-H203 PolarHBondContact O-N 3.49Å; A201-H203 VanDerWaalsContact C-N 3.25Å; A201-H203 PolarHBondContact O-N 3.12Å; H203-R205 HydrophobicContact CB-CG 4.08Å; H203-R205 PolarHBondContact O-N 3.46Å; H203-E240 IonicContact CD2-OE1 3.09Å; H203-E240 PolarHBondContact CD2-OE1 2.99Å; H203-E240 IonicContact NE2-OE1 3.97Å; H203-E240 PolarHBondContact NE2-OE1 3.14Å
204G94.2Very high96.8Very high19 Ų1920.7 Ų20.720%0.19610%0.1CC..THydrogen-bonded Turntrans65.324.8-179.200000114.3V188 N200 A201 H202V188-G204 PolarHBondContact N-O 3.11Å; V188-G204 VanDerWaalsContact O-CA 3.31Å; V188-G204 WeakPolarHBondContact O-CA 3.17Å; N200-G204 PolarHBondContact O-N 3.22Å; A201-G204 PolarHBondContact O-N 3.45Å; H202-G204 VanDerWaalsContact C-N 3.28Å; H202-G204 PolarHBondContact O-N 3.46Å
205R95.1Very high97Very high137 Ų13720 Ų2052%0.5179%0.094SC..PPolyproline II helixtrans-85.5153.8177.1-61.7176.3-174.2165.10.6110.3N200 H203 M207N200-R205 HydrophobicContact CB-CB 4.18Å; N200-R205 WeakPolarHBondContact O-CB 3.24Å; N200-R205 PolarHBondContact O-N 3.16Å; N200-R205 WeakPolarHBondContact OD1-CD 3.39Å; N200-R205 PolarHBondContact OD1-NH1 3.27Å; H203-R205 HydrophobicContact CB-CG 4.08Å; H203-R205 PolarHBondContact O-N 3.46Å; R205-M207 PolarHBondContact O-N 2.68Å
206E95.8Very high97.1Very high10 Ų1017.8 Ų17.85%0.0479%0.086CC..PPolyproline II helixtrans-62.5120.9172.5-170.478-85.900110.3R173 P184 R185 V188 Y271R173-E206 IonicContact NH2-OE2 2.97Å; P184-E206 HydrophobicContact CB-CB 3.77Å; P184-E206 HydrophobicContact CB-CG 4.12Å; R185-E206 WeakPolarHBondContact CB-OE2 3.36Å; R185-E206 VanDerWaalsContact CG-OE2 3.3Å; R185-E206 WeakPolarHBondContact CG-OE2 3.18Å; R185-E206 IonicContact CZ-OE1 3.4Å; R185-E206 IonicContact CZ-OE2 2.75Å; R185-E206 PolarHBondContact N-OE2 3.43Å; R185-E206 IonicContact NE-OE1 3.33Å; R185-E206 PolarHBondContact NE-OE1 3Å; R185-E206 IonicContact NE-OE2 2.71Å; R185-E206 PolarHBondContact NE-OE2 2.59Å; R185-E206 IonicContact NH2-OE1 3.26Å; R185-E206 PolarHBondContact NH2-OE1 3.31Å; R185-E206 IonicContact NH2-OE2 3.48Å; V188-E206 HydrophobicContact CG2-CB 4.22Å; E206-Y271 HydrophobicContact CB-CD2 4.2Å; E206-Y271 HydrophobicContact CB-CE2 4.05Å; E206-Y271 HydrophobicContact CG-CD2 4.05Å; E206-Y271 HydrophobicContact CG-CE2 3.4Å
207M96.8Very high97.1Very high11 Ų1117.2 Ų17.25%0.0548%0.084CC..PPolyproline II helixtrans-73.7153.4177-64.917069.600111I143 R145 A201 R205 D211I143-M207 WeakPolarHBondContact CD1-O 3.32Å; R145-M207 HydrophobicContact CB-CE 3.83Å; R145-M207 HydrophobicContact CB-SD 3.91Å; R145-M207 HydrophobicContact CG-CE 4.05Å; R145-M207 HydrophobicContact CG-SD 3.94Å; A201-M207 HydrophobicContact CB-CE 4.41Å; A201-M207 HydrophobicContact CB-CG 4.26Å; A201-M207 HydrophobicContact CB-SD 3.84Å; R205-M207 PolarHBondContact O-N 2.68Å; M207-D211 WeakPolarHBondContact CA-OD2 3.46Å; M207-D211 HydrophobicContact CB-CB 4.2Å; M207-D211 HydrophobicContact CE-CB 3.82Å; M207-D211 HydrophobicContact CG-CB 4.37Å
208Y97.6Very high97.2Very high5 Ų517 Ų172%0.028%0.082CC..  trans-131-176.5173.2-153.8-117.2000111.4I143 Y175 V181 Y210 D211 Y271 D273I143-Y208 HydrophobicContact CD1-CD2 4.26Å; Y175-Y208 HydrophobicContact CD2-CD2 4.29Å; Y175-Y208 AromaticContact CD2-CE2 3.37Å; Y175-Y208 HydrophobicContact CD2-CE2 3.37Å; Y175-Y208 AromaticContact CD2-CZ 3.76Å; Y175-Y208 AromaticContact CE2-CE2 3.87Å; Y175-Y208 HydrophobicContact CE2-CE2 3.87Å; Y175-Y208 AromaticContact CE2-CZ 3.75Å; Y175-Y208 WeakPolarHBondContact CE2-OH 3.46Å; Y175-Y208 HydrophobicContact CG-CE2 4.12Å; V181-Y208 HydrophobicContact CG1-CE2 3.82Å; V181-Y208 WeakPolarHBondContact CG2-OH 3.49Å; Y208-Y210 HydrophobicContact CD1-CD1 4Å; Y208-Y210 AromaticContact CD1-CE1 3.98Å; Y208-Y210 HydrophobicContact CD1-CE1 3.98Å; Y208-Y210 HydrophobicContact CG-CD1 4.5Å; Y208-Y210 HydrophobicContact CG-CE1 4.19Å; Y208-Y210 PolarHBondContact O-N 2.88Å; Y208-D211 PolarHBondContact N-OD2 3.26Å; Y208-D211 WeakPolarHBondContact O-CB 3.29Å; Y208-D211 PolarHBondContact O-N 3.09Å; Y208-Y271 AromaticContact CD2-CD2 3.9Å; Y208-Y271 HydrophobicContact CD2-CD2 3.9Å; Y208-Y271 HydrophobicContact CD2-CE1 4.36Å; Y208-Y271 AromaticContact CD2-CE2 3.55Å; Y208-Y271 HydrophobicContact CD2-CE2 3.55Å; Y208-Y271 HydrophobicContact CD2-CG 4.44Å; Y208-Y271 AromaticContact CD2-CZ 3.81Å; Y208-Y271 HydrophobicContact CE2-CE1 4.43Å; Y208-Y271 HydrophobicContact CE2-CE2 4.33Å; Y208-Y271 HydrophobicContact CG-CD2 4.23Å; Y208-Y271 HydrophobicContact CG-CE2 4.29Å; Y208-D273 WeakPolarHBondContact CE1-O 3.36Å
209T98.2Very high97.3Very high5 Ų517 Ų173%0.0318%0.082CC..Hα-helixtrans-58.1-32.1-175.354.70000113.8H138 I143 Y175 D211H138-T209 HydrophobicContact CB-CG2 4.05Å; H138-T209 VanDerWaalsContact CE1-CA 3.47Å; H138-T209 WeakPolarHBondContact CE1-CA 3.38Å; H138-T209 PolarHBondContact CE1-O 2.98Å; H138-T209 VanDerWaalsContact ND1-CB 3.3Å; H138-T209 WeakPolarHBondContact ND1-CB 3.4Å; H138-T209 WeakPolarHBondContact ND1-CG2 3.44Å; I143-T209 HydrophobicContact CG1-CG2 4.41Å; Y175-T209 HydrophobicContact CE1-CG2 3.95Å; Y175-T209 HydrophobicContact CE2-CG2 4.17Å; T209-D211 VanDerWaalsContact C-N 3.29Å; T209-D211 PolarHBondContact O-N 3.47Å
210Y98.4Very high97.4Very high6 Ų616.1 Ų16.12%0.0248%0.077CC..Hα-helixtrans-71.7-21.3178.458.3-102.2000113.5N200 Y208 V213 I214 K269 K270 Y271N200-Y210 WeakPolarHBondContact ND2-CE2 3.11Å; Y208-Y210 HydrophobicContact CD1-CD1 4Å; Y208-Y210 AromaticContact CD1-CE1 3.98Å; Y208-Y210 HydrophobicContact CD1-CE1 3.98Å; Y208-Y210 HydrophobicContact CG-CD1 4.5Å; Y208-Y210 HydrophobicContact CG-CE1 4.19Å; Y208-Y210 PolarHBondContact O-N 2.88Å; Y210-V213 PolarHBondContact O-N 2.9Å; Y210-I214 HydrophobicContact CD2-CD1 4.38Å; Y210-I214 WeakPolarHBondContact O-CG1 3.49Å; Y210-I214 PolarHBondContact O-N 3.41Å; Y210-K269 HydrophobicContact CD1-CB 3.63Å; Y210-K269 HydrophobicContact CD1-CD 3.91Å; Y210-K269 HydrophobicContact CD1-CG 4.42Å; Y210-K269 HydrophobicContact CD2-CB 4.19Å; Y210-K269 HydrophobicContact CE1-CB 3.88Å; Y210-K269 HydrophobicContact CE2-CB 4.43Å; Y210-K269 HydrophobicContact CG-CB 3.81Å; Y210-K269 HydrophobicContact CG-CD 3.91Å; Y210-K269 HydrophobicContact CG-CG 4.49Å; Y210-K270 WeakPolarHBondContact CE1-O 3.21Å; Y210-Y271 PolarHBondContact OH-N 3.07Å
211D98.5Very high97.5Very high0 Ų014.8 Ų14.80%07%0.07CC..Hα-helixtrans-71.3-35.5178.6-63.8-65.7000111.5S198 N200 M207 Y208 T209 V213 I214 A215S198-D211 WeakPolarHBondContact CB-OD1 3.25Å; S198-D211 VanDerWaalsContact OG-CG 3.26Å; S198-D211 PolarHBondContact OG-OD1 3.1Å; N200-D211 PolarHBondContact ND2-OD1 3.39Å; M207-D211 WeakPolarHBondContact CA-OD2 3.46Å; M207-D211 HydrophobicContact CB-CB 4.2Å; M207-D211 HydrophobicContact CE-CB 3.82Å; M207-D211 HydrophobicContact CG-CB 4.37Å; Y208-D211 PolarHBondContact N-OD2 3.26Å; Y208-D211 WeakPolarHBondContact O-CB 3.29Å; Y208-D211 PolarHBondContact O-N 3.09Å; T209-D211 VanDerWaalsContact C-N 3.29Å; T209-D211 PolarHBondContact O-N 3.47Å; D211-V213 VanDerWaalsContact C-N 3.32Å; D211-I214 PolarHBondContact O-N 3.23Å; D211-A215 PolarHBondContact O-N 2.93Å
212D98.7Very high97.6Very high1 Ų114.6 Ų14.61%0.0057%0.069CC..Hα-helixtrans-66.1-35.5172.3-81.2-9.2000111.8I134 H138 I143 H144 R145 I147 A215 L216I134-D212 HydrophobicContact CG2-CB 4.17Å; H138-D212 IonicContact CE1-OD2 3.74Å; H138-D212 IonicContact NE2-OD2 3.2Å; H138-D212 PolarHBondContact NE2-OD2 3.12Å; H138-D212 VanDerWaalsContact NE2-OD2 3.09Å; I143-D212 WeakPolarHBondContact CG2-OD2 3.33Å; H144-D212 WeakPolarHBondContact CA-OD2 3.44Å; H144-D212 VanDerWaalsContact CB-OD2 3.3Å; H144-D212 WeakPolarHBondContact CB-OD2 3.36Å; H144-D212 PolarHBondContact N-OD2 2.93Å; R145-D212 WeakPolarHBondContact CA-OD1 3.38Å; R145-D212 PolarHBondContact N-OD1 3.09Å; I147-D212 HydrophobicContact CG1-CB 3.82Å; D212-A215 PolarHBondContact O-N 2.68Å; D212-L216 PolarHBondContact O-N 2.83Å
213V98.7Very high97.7Very high2 Ų213.7 Ų13.71%0.0126%0.064CC..Hα-helixtrans-71.1-39.1176-174.70000111.1L131 I134 Y210 D211 A215 L216 L217 L266 V275 Y277 M280L131-V213 HydrophobicContact CD1-CG1 4.26Å; L131-V213 HydrophobicContact CD1-CG2 4.35Å; I134-V213 HydrophobicContact CG2-CG2 4.42Å; Y210-V213 PolarHBondContact O-N 2.9Å; D211-V213 VanDerWaalsContact C-N 3.32Å; V213-A215 VanDerWaalsContact C-N 3.27Å; V213-A215 PolarHBondContact O-N 3.13Å; V213-L216 WeakPolarHBondContact O-CB 3.5Å; V213-L216 PolarHBondContact O-N 3.29Å; V213-L216 VanDerWaalsContact O-N 3.16Å; V213-L217 WeakPolarHBondContact O-CG 3.45Å; V213-L217 PolarHBondContact O-N 3.13Å; V213-L266 HydrophobicContact CB-CD1 4.14Å; V213-L266 HydrophobicContact CB-CD2 4.33Å; V213-L266 HydrophobicContact CG1-CD1 3.65Å; V213-L266 HydrophobicContact CG1-CD2 4.36Å; V213-V275 HydrophobicContact CG2-CG1 4.15Å; V213-V275 HydrophobicContact CG2-CG2 4.34Å; V213-Y277 HydrophobicContact CG2-CE1 3.95Å; V213-M280 HydrophobicContact CG1-CE 4.43Å; V213-M280 HydrophobicContact CG1-SD 3.95Å
214I98.6Very high97.9Very high3 Ų312.1 Ų12.12%0.0156%0.056CC..Hα-helixtrans-57.7-43.9171-72166.8000110.5Y210 D211 L216 L217 F218 Y263 L266 M267Y210-I214 HydrophobicContact CD2-CD1 4.38Å; Y210-I214 WeakPolarHBondContact O-CG1 3.49Å; Y210-I214 PolarHBondContact O-N 3.41Å; D211-I214 PolarHBondContact O-N 3.23Å; I214-L216 VanDerWaalsContact C-N 3.32Å; I214-L216 PolarHBondContact O-N 3.33Å; I214-L217 PolarHBondContact O-N 3.05Å; I214-L217 VanDerWaalsContact O-N 3.14Å; I214-F218 HydrophobicContact CG2-CD2 3.95Å; I214-F218 HydrophobicContact CG2-CE2 3.45Å; I214-F218 VanDerWaalsContact CG2-CE2 3.45Å; I214-F218 HydrophobicContact CG2-CZ 4.04Å; I214-F218 WeakPolarHBondContact O-CD2 3.35Å; I214-F218 PolarHBondContact O-N 2.98Å; I214-Y263 HydrophobicContact CG2-CD2 4.43Å; I214-Y263 HydrophobicContact CG2-CE2 4.01Å; I214-L266 HydrophobicContact CD1-CB 4.12Å; I214-L266 HydrophobicContact CG1-CB 3.83Å; I214-L266 HydrophobicContact CG1-CD1 4.14Å; I214-M267 HydrophobicContact CD1-SD 4.1Å
215A98.6Very high98Very high5 Ų513 Ų134%0.0415%0.054CC..Hα-helixtrans-64.9-34.6176.800000113I147 Y196 D211 D212 V213 T219I147-A215 HydrophobicContact CB-CB 3.77Å; I147-A215 HydrophobicContact CG2-CB 4.18Å; Y196-A215 WeakPolarHBondContact O-CA 3.15Å; Y196-A215 WeakPolarHBondContact O-CB 3.28Å; D211-A215 PolarHBondContact O-N 2.93Å; D212-A215 PolarHBondContact O-N 2.68Å; V213-A215 VanDerWaalsContact C-N 3.27Å; V213-A215 PolarHBondContact O-N 3.13Å; A215-T219 WeakPolarHBondContact O-CB 3.21Å; A215-T219 PolarHBondContact O-N 3.45Å; A215-T219 PolarHBondContact O-OG1 2.93Å
216L98.8Very high98.1Very high1 Ų17.3 Ų7.31%0.0054%0.038CC..Hα-helixtrans-62.1-44.3169.217761.9000111.4C130 L131 I134 I147 F152 D212 V213 I214 F218 T219 L220C130-L216 HydrophobicContact CB-CD1 3.56Å; C130-L216 HydrophobicContact CB-CD2 4.27Å; L131-L216 HydrophobicContact CB-CD2 3.99Å; L131-L216 HydrophobicContact CD1-CD2 4.21Å; I134-L216 HydrophobicContact CD1-CB 3.85Å; I134-L216 HydrophobicContact CD1-CD2 3.95Å; I134-L216 HydrophobicContact CD1-CG 4.33Å; I147-L216 HydrophobicContact CG2-CB 4.14Å; F152-L216 HydrophobicContact CE2-CD1 4.45Å; D212-L216 PolarHBondContact O-N 2.83Å; V213-L216 WeakPolarHBondContact O-CB 3.5Å; V213-L216 PolarHBondContact O-N 3.29Å; V213-L216 VanDerWaalsContact O-N 3.16Å; I214-L216 VanDerWaalsContact C-N 3.32Å; I214-L216 PolarHBondContact O-N 3.33Å; L216-F218 PolarHBondContact O-N 3.41Å; L216-T219 WeakPolarHBondContact O-CA 3.21Å; L216-T219 VanDerWaalsContact O-CB 3.26Å; L216-T219 WeakPolarHBondContact O-CB 3.16Å; L216-T219 PolarHBondContact O-N 3.29Å; L216-T219 VanDerWaalsContact O-N 3.11Å; L216-L220 HydrophobicContact CD1-CD1 4.27Å; L216-L220 HydrophobicContact CD1-CD2 4.41Å; L216-L220 HydrophobicContact CD1-CG 4.08Å; L216-L220 HydrophobicContact CG-CD1 4.06Å; L216-L220 HydrophobicContact CG-CG 4.33Å; L216-L220 VanDerWaalsContact O-CG 3.31Å; L216-L220 WeakPolarHBondContact O-CG 3.5Å; L216-L220 PolarHBondContact O-N 2.68Å
217L98.8Very high98Very high2 Ų213 Ų131%0.017%0.065CC..Hα-helixtrans-62.4-41.4179.1-62.3-171.9000112.1V213 I214 T219 L220 A221 F252 I259 M262 Y263 L266V213-L217 WeakPolarHBondContact O-CG 3.45Å; V213-L217 PolarHBondContact O-N 3.13Å; I214-L217 PolarHBondContact O-N 3.05Å; I214-L217 VanDerWaalsContact O-N 3.14Å; L217-T219 VanDerWaalsContact C-N 3.34Å; L217-L220 HydrophobicContact CD2-CD1 4.4Å; L217-L220 PolarHBondContact O-N 3.41Å; L217-A221 WeakPolarHBondContact O-CB 3.45Å; L217-A221 PolarHBondContact O-N 2.92Å; L217-F252 HydrophobicContact CB-CE1 3.98Å; L217-F252 HydrophobicContact CB-CZ 4.27Å; L217-I259 HydrophobicContact CD2-CG2 4.23Å; L217-M262 HydrophobicContact CD1-CB 4.19Å; L217-Y263 HydrophobicContact CD1-CD2 4.43Å; L217-L266 HydrophobicContact CD1-CD1 3.78Å
218F98.6Very high98.1Very high2 Ų212.9 Ų12.91%0.0096%0.064CC..Hα-helixtrans-66.3-36172.8-65.5-41.5000112.8Y196 I214 L216 A221 E222 L228 W230 I251 Y263Y196-F218 HydrophobicContact CD1-CB 4.32Å; Y196-F218 WeakPolarHBondContact O-CD2 3.22Å; I214-F218 HydrophobicContact CG2-CD2 3.95Å; I214-F218 HydrophobicContact CG2-CE2 3.45Å; I214-F218 VanDerWaalsContact CG2-CE2 3.45Å; I214-F218 HydrophobicContact CG2-CZ 4.04Å; I214-F218 WeakPolarHBondContact O-CD2 3.35Å; I214-F218 PolarHBondContact O-N 2.98Å; L216-F218 PolarHBondContact O-N 3.41Å; F218-A221 PolarHBondContact O-N 3.12Å; F218-E222 PolarHBondContact O-N 3.27Å; F218-L228 HydrophobicContact CB-CD1 4.21Å; F218-L228 HydrophobicContact CB-CD2 4.48Å; F218-L228 HydrophobicContact CD1-CD2 4.44Å; F218-W230 HydrophobicContact CD1-CH2 4.07Å; F218-W230 AromaticContact CD1-CZ2 3.92Å; F218-W230 HydrophobicContact CD1-CZ2 3.92Å; F218-W230 HydrophobicContact CD2-CZ2 4.49Å; F218-W230 AromaticContact CE1-CH2 3.69Å; F218-W230 HydrophobicContact CE1-CH2 3.69Å; F218-W230 AromaticContact CE1-CZ2 3.93Å; F218-W230 HydrophobicContact CE1-CZ2 3.93Å; F218-W230 HydrophobicContact CE2-CZ2 4.48Å; F218-W230 HydrophobicContact CG-CZ2 4.22Å; F218-W230 HydrophobicContact CZ-CH2 4.06Å; F218-W230 HydrophobicContact CZ-CZ2 4.2Å; F218-I251 HydrophobicContact CD1-CG2 3.84Å; F218-I251 HydrophobicContact CE1-CD1 4.36Å; F218-I251 HydrophobicContact CE1-CG2 3.83Å; F218-Y263 AromaticContact CE1-CE2 3.84Å; F218-Y263 HydrophobicContact CE1-CE2 3.84Å; F218-Y263 HydrophobicContact CE2-CE2 4.42Å; F218-Y263 AromaticContact CZ-CE2 3.57Å; F218-Y263 HydrophobicContact CZ-CE2 3.57Å
219T98.6Very high98Very high1 Ų114.8 Ų14.81%0.0068%0.078CC..Hα-helixtrans-59.1-51.2173.4-68.10000110.4P149 A215 L216 L217 A221 E222 L223P149-T219 HydrophobicContact CG-CG2 3.87Å; A215-T219 WeakPolarHBondContact O-CB 3.21Å; A215-T219 PolarHBondContact O-N 3.45Å; A215-T219 PolarHBondContact O-OG1 2.93Å; L216-T219 WeakPolarHBondContact O-CA 3.21Å; L216-T219 VanDerWaalsContact O-CB 3.26Å; L216-T219 WeakPolarHBondContact O-CB 3.16Å; L216-T219 PolarHBondContact O-N 3.29Å; L216-T219 VanDerWaalsContact O-N 3.11Å; L217-T219 VanDerWaalsContact C-N 3.34Å; T219-A221 PolarHBondContact O-N 3.23Å; T219-E222 PolarHBondContact O-N 2.73Å; T219-L223 HydrophobicContact CG2-CD1 3.99Å; T219-L223 HydrophobicContact CG2-CG 4.48Å; T219-L223 WeakPolarHBondContact O-CB 3.33Å; T219-L223 VanDerWaalsContact O-CG 3.24Å; T219-L223 WeakPolarHBondContact O-CG 3.46Å; T219-L223 PolarHBondContact O-N 2.67Å
220L98.7Very high98Very high1 Ų114.6 Ų14.61%0.0058%0.076CC..Hα-helixtrans-61.9-42.1178.2-64.6170.2000111.8I123 L126 A127 L216 L217 L223 Y224I123-L220 HydrophobicContact CG2-CB 4.3Å; I123-L220 HydrophobicContact CG2-CD2 4.28Å; L126-L220 HydrophobicContact CB-CD2 4.27Å; A127-L220 HydrophobicContact CB-CD1 3.5Å; A127-L220 VanDerWaalsContact CB-CD1 3.5Å; A127-L220 HydrophobicContact CB-CD2 4.03Å; A127-L220 HydrophobicContact CB-CG 4.42Å; L216-L220 HydrophobicContact CD1-CD1 4.27Å; L216-L220 HydrophobicContact CD1-CD2 4.41Å; L216-L220 HydrophobicContact CD1-CG 4.08Å; L216-L220 HydrophobicContact CG-CD1 4.06Å; L216-L220 HydrophobicContact CG-CG 4.33Å; L216-L220 VanDerWaalsContact O-CG 3.31Å; L216-L220 WeakPolarHBondContact O-CG 3.5Å; L216-L220 PolarHBondContact O-N 2.68Å; L217-L220 HydrophobicContact CD2-CD1 4.4Å; L217-L220 PolarHBondContact O-N 3.41Å; L220-L223 PolarHBondContact O-N 3.5Å; L220-Y224 WeakPolarHBondContact O-CB 3.35Å; L220-Y224 PolarHBondContact O-N 3.38Å
221A98.6Very high97.6Very high0 Ų021 Ų210%010%0.104CC..Hα-helixtrans-61.4-45.9176.800000112.2L217 F218 T219 Y224 K225 L228 F252 L255L217-A221 WeakPolarHBondContact O-CB 3.45Å; L217-A221 PolarHBondContact O-N 2.92Å; F218-A221 PolarHBondContact O-N 3.12Å; T219-A221 PolarHBondContact O-N 3.23Å; A221-Y224 PolarHBondContact O-N 2.95Å; A221-K225 VanDerWaalsContact O-CB 3.31Å; A221-K225 WeakPolarHBondContact O-CB 3.42Å; A221-K225 WeakPolarHBondContact O-CG 3.49Å; A221-K225 PolarHBondContact O-N 3.03Å; A221-L228 HydrophobicContact CB-CD2 4.03Å; A221-F252 HydrophobicContact CB-CD1 3.86Å; A221-F252 HydrophobicContact CB-CE1 4.17Å; A221-L255 HydrophobicContact CB-CD1 4.31Å
222E98Very high97.1Very high2 Ų226.2 Ų26.21%0.00914%0.136CC..Hα-helixtrans-63.9-42.6175-163.2-161.5-123.300111.4R110 R195 Y196 F218 T219 Y224 G226 L228R110-E222 IonicContact CZ-OE2 2.73Å; R110-E222 IonicContact NE-OE2 2.61Å; R110-E222 IonicContact NH2-OE1 2.77Å; R110-E222 IonicContact NH2-OE2 3.32Å; R110-E222 PolarHBondContact NH2-OE2 2.8Å; R195-E222 WeakPolarHBondContact CD-OE1 3.15Å; R195-E222 IonicContact CZ-OE1 3.61Å; R195-E222 IonicContact NE-OE1 3.99Å; R195-E222 IonicContact NH1-OE1 3.6Å; R195-E222 PolarHBondContact NH1-OE1 3.3Å; R195-E222 IonicContact NH2-OE1 2.68Å; Y196-E222 HydrophobicContact CE1-CB 4.47Å; Y196-E222 PolarHBondContact OH-OE1 2.96Å; Y196-E222 PolarHBondContact OH-OE2 2.84Å; F218-E222 PolarHBondContact O-N 3.27Å; T219-E222 PolarHBondContact O-N 2.73Å; E222-Y224 VanDerWaalsContact C-N 3.26Å; E222-Y224 PolarHBondContact O-N 3.28Å; E222-G226 CarbonylContact O-C 3.59Å; E222-G226 WeakPolarHBondContact O-CA 3.28Å; E222-G226 PolarHBondContact O-N 2.88Å; E222-L228 HydrophobicContact CB-CD1 4.15Å; E222-L228 HydrophobicContact CB-CG 3.97Å; E222-L228 HydrophobicContact CG-CG 4.34Å
223L98.2Very high96.6Very high0 Ų031.7 Ų31.70%017%0.169CC..Hα-helixtrans-63.5-35.7-178.3-72.6177.9000112L106 R110 R117 F118 I123 L126 P149 T219 L220L106-L223 HydrophobicContact CB-CD1 4.31Å; L106-L223 HydrophobicContact CB-CD2 4.37Å; L106-L223 HydrophobicContact CD1-CD1 4.01Å; R110-L223 HydrophobicContact CB-CD2 4.04Å; R110-L223 HydrophobicContact CG-CD2 4.38Å; R117-L223 WeakPolarHBondContact CA-O 3.29Å; F118-L223 HydrophobicContact CD2-CB 3.98Å; F118-L223 HydrophobicContact CD2-CD1 4.28Å; F118-L223 HydrophobicContact CD2-CD2 4.04Å; F118-L223 HydrophobicContact CD2-CG 4.33Å; F118-L223 HydrophobicContact CE2-CD1 4.27Å; F118-L223 HydrophobicContact CE2-CD2 3.77Å; F118-L223 HydrophobicContact CE2-CG 4.42Å; F118-L223 PolarHBondContact N-O 3.34Å; I123-L223 HydrophobicContact CD1-CB 3.45Å; I123-L223 VanDerWaalsContact CD1-CB 3.45Å; L126-L223 HydrophobicContact CD1-CD1 4.2Å; P149-L223 HydrophobicContact CB-CD2 4.04Å; P149-L223 HydrophobicContact CG-CD2 4.1Å; P149-L223 HydrophobicContact CG-CG 4.26Å; T219-L223 HydrophobicContact CG2-CD1 3.99Å; T219-L223 HydrophobicContact CG2-CG 4.48Å; T219-L223 WeakPolarHBondContact O-CB 3.33Å; T219-L223 VanDerWaalsContact O-CG 3.24Å; T219-L223 WeakPolarHBondContact O-CG 3.46Å; T219-L223 PolarHBondContact O-N 2.67Å; L220-L223 PolarHBondContact O-N 3.5Å
224Y98.2Very high96.3Very high42 Ų4233.7 Ų33.717%0.16518%0.18CC..Hα-helixtrans-78.3-51.1178.4-177-117.3000112.6R117 I120 I123 L220 A221 E222 D254 L255R117-Y224 WeakPolarHBondContact CB-O 3.42Å; R117-Y224 VanDerWaalsContact CD-O 3.3Å; R117-Y224 WeakPolarHBondContact CD-O 3.4Å; R117-Y224 WeakPolarHBondContact CG-O 3.15Å; I120-Y224 HydrophobicContact CB-CE2 3.97Å; I120-Y224 HydrophobicContact CD1-CD2 4.48Å; I120-Y224 HydrophobicContact CD1-CE2 4.15Å; I123-Y224 HydrophobicContact CG1-CD2 3.95Å; I123-Y224 HydrophobicContact CG1-CG 4.32Å; L220-Y224 WeakPolarHBondContact O-CB 3.35Å; L220-Y224 PolarHBondContact O-N 3.38Å; A221-Y224 PolarHBondContact O-N 2.95Å; E222-Y224 VanDerWaalsContact C-N 3.26Å; E222-Y224 PolarHBondContact O-N 3.28Å; Y224-D254 VanDerWaalsContact CE1-OD1 3.24Å; Y224-D254 WeakPolarHBondContact CE1-OD1 3.14Å; Y224-D254 PolarHBondContact OH-OD2 3.23Å; Y224-L255 HydrophobicContact CD1-CD1 4.24Å; Y224-L255 HydrophobicContact CD1-CD2 3.49Å; Y224-L255 VanDerWaalsContact CD1-CD2 3.49Å; Y224-L255 HydrophobicContact CD1-CG 3.51Å; Y224-L255 HydrophobicContact CD2-CD2 4.24Å; Y224-L255 HydrophobicContact CE1-CD2 3.86Å; Y224-L255 HydrophobicContact CE1-CG 3.92Å; Y224-L255 HydrophobicContact CG-CD2 3.69Å; Y224-L255 HydrophobicContact CG-CG 4.16Å
225K97Very high96.1Very high37 Ų3738 Ų3816%0.16121%0.206CC..Hα-helixtrans-86.1-12-174.4-61.5175.168.7-135.80113.4R117 A221 E227 D250 I251R117-K225 PolarHBondContact NE-O 2.89Å; R117-K225 PolarHBondContact NH2-O 3.49Å; A221-K225 VanDerWaalsContact O-CB 3.31Å; A221-K225 WeakPolarHBondContact O-CB 3.42Å; A221-K225 WeakPolarHBondContact O-CG 3.49Å; A221-K225 PolarHBondContact O-N 3.03Å; K225-E227 PolarHBondContact O-N 3.13Å; K225-D250 PolarHBondContact NZ-O 3.35Å; K225-I251 WeakPolarHBondContact CD-O 3.25Å; K225-I251 PolarHBondContact NZ-O 2.84Å; K225-I251 VanDerWaalsContact NZ-O 3.13Å
226G96.1Very high95.8Very high18 Ų1840.6 Ų40.619%0.18622%0.222CC..SBendtrans80.8-18.7-176.900000113.9R110 K116 E222R110-G226 PolarHBondContact NH1-O 2.77Å; K116-G226 WeakPolarHBondContact O-CA 3.25Å; E222-G226 CarbonylContact O-C 3.59Å; E222-G226 WeakPolarHBondContact O-CA 3.28Å; E222-G226 PolarHBondContact O-N 2.88Å
227E95.4Very high95.6Very high130 Ų13046.5 Ų46.561%0.60725%0.247SC*.  trans-150.6157.417867.3-175.3179.900112.4K225K225-E227 PolarHBondContact O-N 3.13Å
228L97.4Very high95.5Very high7 Ų749.2 Ų49.24%0.03726%0.26CS..  trans-101.6159.9164.1-72.6164000108.9R195 Y196 F218 A221 E222 W230 I251R195-L228 HydrophobicContact CG-CD1 3.64Å; Y196-L228 HydrophobicContact CD1-CD1 4.31Å; Y196-L228 HydrophobicContact CE1-CD1 4.24Å; F218-L228 HydrophobicContact CB-CD1 4.21Å; F218-L228 HydrophobicContact CB-CD2 4.48Å; F218-L228 HydrophobicContact CD1-CD2 4.44Å; A221-L228 HydrophobicContact CB-CD2 4.03Å; E222-L228 HydrophobicContact CB-CD1 4.15Å; E222-L228 HydrophobicContact CB-CG 3.97Å; E222-L228 HydrophobicContact CG-CG 4.34Å; L228-W230 HydrophobicContact CB-CD2 4.37Å; L228-W230 HydrophobicContact CB-CZ2 4.37Å; L228-W230 HydrophobicContact CD1-CZ2 4.13Å; L228-W230 HydrophobicContact CD2-CZ2 4.19Å; L228-W230 HydrophobicContact CG-CZ2 4.47Å; L228-W230 PolarHBondContact O-N 3.45Å; L228-W230 VanDerWaalsContact O-N 3.08Å; L228-I251 HydrophobicContact CD2-CG2 4.36Å
229P97Very high95.4Very high46 Ų4649.2 Ų49.230%0.29926%0.26SS..SBendtrans-57-25177.8-28.237.1000114.8C246 D250 I251P229-C246 HydrophobicContact CB-CB 4.42Å; P229-C246 WeakPolarHBondContact CB-SG 3.4Å; P229-C246 HydrophobicContact CG-CB 4.32Å; P229-D250 HydrophobicContact CG-CB 4.02Å; P229-D250 WeakPolarHBondContact CG-O 3.34Å; P229-I251 HydrophobicContact CG-CG1 4.26Å
230W97.3Very high95.3Very high1 Ų151.4 Ų51.40%0.00427%0.27CS..SBendtrans-101.6138.4173.150.184.1000111.5R195 F218 L228 D234 T239 L242 K243 I251R195-W230 PolarHBondContact O-NE1 2.84Å; F218-W230 HydrophobicContact CD1-CH2 4.07Å; F218-W230 AromaticContact CD1-CZ2 3.92Å; F218-W230 HydrophobicContact CD1-CZ2 3.92Å; F218-W230 HydrophobicContact CD2-CZ2 4.49Å; F218-W230 AromaticContact CE1-CH2 3.69Å; F218-W230 HydrophobicContact CE1-CH2 3.69Å; F218-W230 AromaticContact CE1-CZ2 3.93Å; F218-W230 HydrophobicContact CE1-CZ2 3.93Å; F218-W230 HydrophobicContact CE2-CZ2 4.48Å; F218-W230 HydrophobicContact CG-CZ2 4.22Å; F218-W230 HydrophobicContact CZ-CH2 4.06Å; F218-W230 HydrophobicContact CZ-CZ2 4.2Å; L228-W230 HydrophobicContact CB-CD2 4.37Å; L228-W230 HydrophobicContact CB-CZ2 4.37Å; L228-W230 HydrophobicContact CD1-CZ2 4.13Å; L228-W230 HydrophobicContact CD2-CZ2 4.19Å; L228-W230 HydrophobicContact CG-CZ2 4.47Å; L228-W230 PolarHBondContact O-N 3.45Å; L228-W230 VanDerWaalsContact O-N 3.08Å; W230-D234 WeakPolarHBondContact CA-OD2 3.38Å; W230-T239 HydrophobicContact CB-CG2 4.26Å; W230-T239 HydrophobicContact CD2-CG2 4.3Å; W230-T239 HydrophobicContact CG-CG2 3.79Å; W230-L242 HydrophobicContact CB-CB 4.14Å; W230-L242 HydrophobicContact CB-CD1 3.62Å; W230-L242 HydrophobicContact CE3-CB 4.08Å; W230-K243 HydrophobicContact CD2-CG 4.07Å; W230-K243 HydrophobicContact CE3-CG 3.77Å; W230-K243 HydrophobicContact CH2-CD 4.37Å; W230-K243 HydrophobicContact CH2-CG 3.48Å; W230-K243 VanDerWaalsContact CH2-CG 3.48Å; W230-K243 HydrophobicContact CZ2-CD 4.23Å; W230-K243 HydrophobicContact CZ2-CG 3.77Å; W230-K243 HydrophobicContact CZ3-CB 4.26Å; W230-K243 HydrophobicContact CZ3-CG 3.47Å; W230-K243 VanDerWaalsContact CZ3-CG 3.47Å; W230-I251 HydrophobicContact CH2-CD1 4.1Å; W230-I251 HydrophobicContact CH2-CG1 4.03Å; W230-I251 HydrophobicContact CZ3-CD1 4.21Å; W230-I251 HydrophobicContact CZ3-CG1 4.04Å
231K90.6Very high95.3Very high140 Ų14056.5 Ų56.561%0.60929%0.289SS*.  trans-86.8164.2-175.2-64.1179.8-179.9176.70111.9T233 D234K231-T233 PolarHBondContact O-N 2.91Å; K231-D234 PolarHBondContact N-OD2 2.63Å; K231-D234 PolarHBondContact O-N 3.13Å
232V86.6Confident95.2Very high110 Ų11058.3 Ų58.367%0.66730%0.299SS*.THydrogen-bonded Turntrans-65.9-26.2175.568.60000111.8R195 D234R195-V232 VanDerWaalsContact NH2-CB 3.33Å; V232-D234 VanDerWaalsContact C-N 3.33Å
233T89.2Confident95.1Very high115 Ų11558.5 Ų58.571%0.70630%0.3SS*.THydrogen-bonded Turntrans-83.4-9.5-178.751.70000113.2K231K231-T233 PolarHBondContact O-N 2.91Å
234D92.1Very high95Very high45 Ų4563.1 Ų63.124%0.24132%0.324CS..SBendtrans-71.9139.7-178.9-66.5-19.9000109.9W230 K231 V232 E238W230-D234 WeakPolarHBondContact CA-OD2 3.38Å; K231-D234 PolarHBondContact N-OD2 2.63Å; K231-D234 PolarHBondContact O-N 3.13Å; V232-D234 VanDerWaalsContact C-N 3.33Å; D234-E238 HydrophobicContact CB-CB 4.28Å; D234-E238 HydrophobicContact CB-CG 4.46Å
235T94Very high94.9Very high92 Ų9270.2 Ų70.256%0.56435%0.351SS*.  trans-62.8160.7174.568.70000110.5K237 E238 T239T235-K237 PolarHBondContact O-N 3.04Å; T235-E238 PolarHBondContact O-N 3.19Å; T235-E238 VanDerWaalsContact O-N 3.08Å; T235-E238 WeakPolarHBondContact OG1-CB 3.13Å; T235-E238 PolarHBondContact OG1-N 3.39Å; T235-E238 VanDerWaalsContact OG1-N 3.12Å; T235-T239 PolarHBondContact O-N 3.4Å; T235-T239 PolarHBondContact O-OG1 3.07Å; T235-T239 VanDerWaalsContact O-OG1 3.08Å
236V93.4Very high94.9Very high61 Ų6169.8 Ų69.837%0.3735%0.352SS..Hα-helixtrans-51.1-48.2174.3179.90000110.5Y190 A194 H202 E238 T239 E240Y190-V236 HydrophobicContact CD2-CG1 4.22Å; Y190-V236 HydrophobicContact CE1-CG2 4.38Å; Y190-V236 HydrophobicContact CE2-CG1 4.24Å; Y190-V236 HydrophobicContact CG-CG1 4.45Å; A194-V236 HydrophobicContact CB-CG2 4.19Å; H202-V236 PolarHBondContact CE1-O 3.01Å; H202-V236 PolarHBondContact ND1-O 3.11Å; V236-E238 PolarHBondContact O-N 3.41Å; V236-T239 PolarHBondContact O-N 3.34Å; V236-E240 PolarHBondContact O-N 2.82Å
237K94.6Very high94.9Very high125 Ų12571.3 Ų71.354%0.54336%0.36SS..Hα-helixtrans-64.4-35.3179.4-170.4175.4-172175.30113.5T235 R241T235-K237 PolarHBondContact O-N 3.04Å; K237-R241 WeakPolarHBondContact O-CG 3.44Å; K237-R241 PolarHBondContact O-N 2.95Å; K237-R241 VanDerWaalsContact O-N 3.17Å
238E96.3Very high95Very high58 Ų5867.8 Ų67.827%0.27135%0.345SS..Hα-helixtrans-74.9-39.8177.8-16857.8-159.100111.5D234 T235 V236 E240 R241 L242D234-E238 HydrophobicContact CB-CB 4.28Å; D234-E238 HydrophobicContact CB-CG 4.46Å; T235-E238 PolarHBondContact O-N 3.19Å; T235-E238 VanDerWaalsContact O-N 3.08Å; T235-E238 WeakPolarHBondContact OG1-CB 3.13Å; T235-E238 PolarHBondContact OG1-N 3.39Å; T235-E238 VanDerWaalsContact OG1-N 3.12Å; V236-E238 PolarHBondContact O-N 3.41Å; E238-E240 VanDerWaalsContact C-N 3.31Å; E238-E240 PolarHBondContact O-N 2.93Å; E238-R241 PolarHBondContact O-N 3.19Å; E238-R241 VanDerWaalsContact O-N 3.16Å; E238-R241 WeakPolarHBondContact OE2-CD 3.44Å; E238-R241 IonicContact OE2-NH1 3.1Å; E238-R241 PolarHBondContact OE2-NH1 2.97Å; E238-R241 VanDerWaalsContact OE2-NH1 3.1Å; E238-L242 HydrophobicContact CG-CD1 4.34Å; E238-L242 WeakPolarHBondContact O-CG 3.44Å; E238-L242 PolarHBondContact O-N 2.81Å
239T97.1Very high95Very high2 Ų272 Ų721%0.01237%0.368CS..Hα-helixtrans-58.7-43.3172.6-58.70000111.3A194 W230 T235 V236 L242 K243A194-T239 VanDerWaalsContact O-CG2 3.26Å; A194-T239 WeakPolarHBondContact O-CG2 3.42Å; W230-T239 HydrophobicContact CB-CG2 4.26Å; W230-T239 HydrophobicContact CD2-CG2 4.3Å; W230-T239 HydrophobicContact CG-CG2 3.79Å; T235-T239 PolarHBondContact O-N 3.4Å; T235-T239 PolarHBondContact O-OG1 3.07Å; T235-T239 VanDerWaalsContact O-OG1 3.08Å; V236-T239 PolarHBondContact O-N 3.34Å; T239-L242 PolarHBondContact O-N 3.03Å; T239-K243 HydrophobicContact CG2-CD 4.08Å; T239-K243 WeakPolarHBondContact O-CB 3.34Å; T239-K243 VanDerWaalsContact O-CG 3.3Å; T239-K243 WeakPolarHBondContact O-CG 3.19Å; T239-K243 PolarHBondContact O-N 3.28Å
240E96.5Very high95Very high48 Ų4873.7 Ų73.722%0.22437%0.374CS..Hα-helixtrans-57.8-46.7173.7-174.3-164.816200112.3L199 H202 H203 V236 E238 K243 N244L199-E240 HydrophobicContact CD2-CG 4.17Å; H202-E240 HydrophobicContact CB-CB 4.18Å; H202-E240 HydrophobicContact CB-CG 3.91Å; H203-E240 IonicContact CD2-OE1 3.09Å; H203-E240 PolarHBondContact CD2-OE1 2.99Å; H203-E240 IonicContact NE2-OE1 3.97Å; H203-E240 PolarHBondContact NE2-OE1 3.14Å; V236-E240 PolarHBondContact O-N 2.82Å; E238-E240 VanDerWaalsContact C-N 3.31Å; E238-E240 PolarHBondContact O-N 2.93Å; E240-K243 PolarHBondContact O-N 2.85Å; E240-N244 PolarHBondContact O-N 2.83Å; E240-N244 PolarHBondContact O-ND2 3.26Å
241R96.9Very high95.1Very high107 Ų10773.7 Ų73.740%0.40437%0.374SS..Hα-helixtrans-63-44.3179.3-76.1171.3176.8155.2-6112K237 E238 N244 R245K237-R241 WeakPolarHBondContact O-CG 3.44Å; K237-R241 PolarHBondContact O-N 2.95Å; K237-R241 VanDerWaalsContact O-N 3.17Å; E238-R241 PolarHBondContact O-N 3.19Å; E238-R241 VanDerWaalsContact O-N 3.16Å; E238-R241 WeakPolarHBondContact OE2-CD 3.44Å; E238-R241 IonicContact OE2-NH1 3.1Å; E238-R241 PolarHBondContact OE2-NH1 2.97Å; E238-R241 VanDerWaalsContact OE2-NH1 3.1Å; R241-N244 PolarHBondContact O-N 2.76Å; R241-R245 WeakPolarHBondContact O-CG 3.49Å; R241-R245 PolarHBondContact O-N 2.76Å
242L97.3Very high95.4Very high38 Ų3867 Ų6720%0.19935%0.345CS..Hα-helixtrans-64.5-43178-69.3171.3000110.9W230 E238 T239 N244 R245 C246W230-L242 HydrophobicContact CB-CB 4.14Å; W230-L242 HydrophobicContact CB-CD1 3.62Å; W230-L242 HydrophobicContact CE3-CB 4.08Å; E238-L242 HydrophobicContact CG-CD1 4.34Å; E238-L242 WeakPolarHBondContact O-CG 3.44Å; E238-L242 PolarHBondContact O-N 2.81Å; T239-L242 PolarHBondContact O-N 3.03Å; L242-N244 PolarHBondContact O-N 2.89Å; L242-R245 PolarHBondContact O-N 3.42Å; L242-C246 WeakPolarHBondContact O-CB 3.35Å; L242-C246 PolarHBondContact O-N 3.01Å; L242-C246 PolarHBondContact O-SG 2.84Å
243K97Very high95.9Very high7 Ų762.7 Ų62.73%0.0332%0.322CS..Hα-helixtrans-55.2-36.4174.5-80.9173.2174.6177.60114A194 R195 S197 L199 H202 W230 T239 E240A194-K243 PolarHBondContact O-NZ 3.16Å; R195-K243 PolarHBondContact O-NZ 3.36Å; R195-K243 VanDerWaalsContact O-NZ 3.07Å; S197-K243 PolarHBondContact O-NZ 2.66Å; L199-K243 HydrophobicContact CD2-CB 3.83Å; L199-K243 HydrophobicContact CD2-CD 4.41Å; H202-K243 PolarHBondContact NE2-NZ 3.1Å; W230-K243 HydrophobicContact CD2-CG 4.07Å; W230-K243 HydrophobicContact CE3-CG 3.77Å; W230-K243 HydrophobicContact CH2-CD 4.37Å; W230-K243 HydrophobicContact CH2-CG 3.48Å; W230-K243 VanDerWaalsContact CH2-CG 3.48Å; W230-K243 HydrophobicContact CZ2-CD 4.23Å; W230-K243 HydrophobicContact CZ2-CG 3.77Å; W230-K243 HydrophobicContact CZ3-CB 4.26Å; W230-K243 HydrophobicContact CZ3-CG 3.47Å; W230-K243 VanDerWaalsContact CZ3-CG 3.47Å; T239-K243 HydrophobicContact CG2-CD 4.08Å; T239-K243 WeakPolarHBondContact O-CB 3.34Å; T239-K243 VanDerWaalsContact O-CG 3.3Å; T239-K243 WeakPolarHBondContact O-CG 3.19Å; T239-K243 PolarHBondContact O-N 3.28Å; E240-K243 PolarHBondContact O-N 2.85Å
244N95.8Very high96.3Very high96 Ų9663 Ų6351%0.51332%0.32SS..Hα-helixtrans-79.6-18.4177.6-76.8-63.6000114L199 E240 R241 L242L199-N244 VanDerWaalsContact CD1-OD1 3.28Å; L199-N244 WeakPolarHBondContact CD1-OD1 3.3Å; E240-N244 PolarHBondContact O-N 2.83Å; E240-N244 PolarHBondContact O-ND2 3.26Å; R241-N244 PolarHBondContact O-N 2.76Å; L242-N244 PolarHBondContact O-N 2.89Å
245R95.8Very high96.6Very high192 Ų19261 Ų6173%0.72531%0.309SS*.Hα-helixtrans-103.3-33.4-174.4-73.6178.8177.1177.8-1.6113.7R241 L242R241-R245 WeakPolarHBondContact O-CG 3.49Å; R241-R245 PolarHBondContact O-N 2.76Å; L242-R245 PolarHBondContact O-N 3.42Å
246C96.3Very high96.7Very high27 Ų2757.4 Ų57.418%0.18229%0.288CS..SBendtrans-65136.7-178-69.70000111.2P229 L242 D250 I251P229-C246 HydrophobicContact CB-CB 4.42Å; P229-C246 WeakPolarHBondContact CB-SG 3.4Å; P229-C246 HydrophobicContact CG-CB 4.32Å; L242-C246 WeakPolarHBondContact O-CB 3.35Å; L242-C246 PolarHBondContact O-N 3.01Å; L242-C246 PolarHBondContact O-SG 2.84Å; C246-D250 HydrophobicContact CB-CB 3.96Å; C246-I251 HydrophobicContact CB-CD1 4.16Å; C246-I251 HydrophobicContact CB-CG1 3.93Å
247S97.2Very high96.9Very high51 Ų5158.9 Ų58.936%0.35729%0.293SS..  trans-69.1164.7169.368.60000111D249 D250 I251S247-D249 PolarHBondContact O-N 2.79Å; S247-D250 WeakPolarHBondContact CB-OD2 3.39Å; S247-D250 PolarHBondContact N-OD2 3.12Å; S247-D250 WeakPolarHBondContact O-CB 3.44Å; S247-D250 PolarHBondContact O-N 2.68Å; S247-D250 PolarHBondContact OG-N 3.25Å; S247-D250 PolarHBondContact OG-OD2 2.89Å; S247-I251 WeakPolarHBondContact O-CG1 3.35Å; S247-I251 PolarHBondContact O-N 3.21Å; S247-I251 VanDerWaalsContact O-N 3.16Å
248L97.5Very high97.1Very high55 Ų5554.9 Ų54.929%0.28828%0.277SS..Hα-helixtrans-62.8-30.4173.2-60.1-178.1000111.6I251 F252 K260 Y263L248-I251 PolarHBondContact O-N 3.49Å; L248-F252 HydrophobicContact CB-CD2 4.32Å; L248-F252 HydrophobicContact CD2-CD2 4.35Å; L248-F252 HydrophobicContact CD2-CE2 4.11Å; L248-F252 WeakPolarHBondContact O-CB 3.32Å; L248-F252 WeakPolarHBondContact O-CD2 3.18Å; L248-F252 PolarHBondContact O-N 3.08Å; L248-K260 HydrophobicContact CB-CB 4.45Å; L248-K260 HydrophobicContact CB-CD 4.19Å; L248-K260 HydrophobicContact CB-CG 4.29Å; L248-K260 HydrophobicContact CD1-CB 4.07Å; L248-Y263 HydrophobicContact CD2-CD1 3.44Å; L248-Y263 VanDerWaalsContact CD2-CD1 3.44Å; L248-Y263 HydrophobicContact CD2-CE1 3.66Å
249D97.3Very high97.1Very high96 Ų9652.2 Ų52.251%0.51326%0.264SS..Hα-helixtrans-72.6-36.2176.1-64.1-26.7000111.5S247 I251 G253 K260S247-D249 PolarHBondContact O-N 2.79Å; D249-I251 VanDerWaalsContact C-N 3.25Å; D249-I251 PolarHBondContact O-N 3.32Å; D249-G253 WeakPolarHBondContact O-CA 3.31Å; D249-G253 PolarHBondContact O-N 2.97Å; D249-K260 WeakPolarHBondContact OD1-CE 3.44Å; D249-K260 IonicContact OD1-NZ 3.09Å; D249-K260 PolarHBondContact OD1-NZ 3.16Å
250D97.3Very high97.2Very high82 Ų8253.2 Ų53.244%0.43927%0.268SS..Hα-helixtrans-60.5-39.2171.9-63.4-43.6000110.9K225 P229 C246 S247K225-D250 PolarHBondContact NZ-O 3.35Å; P229-D250 HydrophobicContact CG-CB 4.02Å; P229-D250 WeakPolarHBondContact CG-O 3.34Å; C246-D250 HydrophobicContact CB-CB 3.96Å; S247-D250 WeakPolarHBondContact CB-OD2 3.39Å; S247-D250 PolarHBondContact N-OD2 3.12Å; S247-D250 WeakPolarHBondContact O-CB 3.44Å; S247-D250 PolarHBondContact O-N 2.68Å; S247-D250 PolarHBondContact OG-N 3.25Å; S247-D250 PolarHBondContact OG-OD2 2.89Å
251I97.9Very high97.2Very high1 Ų157 Ų571%0.00529%0.286CS..Hα-helixtrans-79.5-58.3-177-62.7167.6000110.6F218 K225 L228 P229 W230 C246 S247 L248 D249F218-I251 HydrophobicContact CD1-CG2 3.84Å; F218-I251 HydrophobicContact CE1-CD1 4.36Å; F218-I251 HydrophobicContact CE1-CG2 3.83Å; K225-I251 WeakPolarHBondContact CD-O 3.25Å; K225-I251 PolarHBondContact NZ-O 2.84Å; K225-I251 VanDerWaalsContact NZ-O 3.13Å; L228-I251 HydrophobicContact CD2-CG2 4.36Å; P229-I251 HydrophobicContact CG-CG1 4.26Å; W230-I251 HydrophobicContact CH2-CD1 4.1Å; W230-I251 HydrophobicContact CH2-CG1 4.03Å; W230-I251 HydrophobicContact CZ3-CD1 4.21Å; W230-I251 HydrophobicContact CZ3-CG1 4.04Å; C246-I251 HydrophobicContact CB-CD1 4.16Å; C246-I251 HydrophobicContact CB-CG1 3.93Å; S247-I251 WeakPolarHBondContact O-CG1 3.35Å; S247-I251 PolarHBondContact O-N 3.21Å; S247-I251 VanDerWaalsContact O-N 3.16Å; L248-I251 PolarHBondContact O-N 3.49Å; D249-I251 VanDerWaalsContact C-N 3.25Å; D249-I251 PolarHBondContact O-N 3.32Å
252F98.2Very high97.3Very high0 Ų052.1 Ų52.10%027%0.268CS..Hα-helixtrans-96.8-14.5-168.1-60.7-69.7000113.8L217 A221 L248 D254 L255 I259 K260 Y263L217-F252 HydrophobicContact CB-CE1 3.98Å; L217-F252 HydrophobicContact CB-CZ 4.27Å; A221-F252 HydrophobicContact CB-CD1 3.86Å; A221-F252 HydrophobicContact CB-CE1 4.17Å; L248-F252 HydrophobicContact CB-CD2 4.32Å; L248-F252 HydrophobicContact CD2-CD2 4.35Å; L248-F252 HydrophobicContact CD2-CE2 4.11Å; L248-F252 WeakPolarHBondContact O-CB 3.32Å; L248-F252 WeakPolarHBondContact O-CD2 3.18Å; L248-F252 PolarHBondContact O-N 3.08Å; F252-D254 PolarHBondContact O-N 2.79Å; F252-L255 HydrophobicContact CB-CB 4.32Å; F252-L255 HydrophobicContact CB-CD1 4.31Å; F252-L255 HydrophobicContact CD1-CD1 4.21Å; F252-L255 VanDerWaalsContact O-CB 3.24Å; F252-L255 WeakPolarHBondContact O-CB 3.38Å; F252-L255 VanDerWaalsContact O-CG 3.27Å; F252-L255 WeakPolarHBondContact O-CG 3.36Å; F252-L255 PolarHBondContact O-N 2.82Å; F252-L255 VanDerWaalsContact O-N 3.15Å; F252-I259 HydrophobicContact CD1-CG2 3.9Å; F252-I259 HydrophobicContact CE1-CG2 4.09Å; F252-K260 HydrophobicContact CB-CG 4.05Å; F252-K260 HydrophobicContact CD2-CG 4.06Å; F252-K260 HydrophobicContact CG-CG 4.29Å; F252-Y263 AromaticContact CE2-CD1 3.86Å; F252-Y263 HydrophobicContact CE2-CD1 3.86Å; F252-Y263 HydrophobicContact CE2-CD2 4.29Å; F252-Y263 AromaticContact CE2-CG 3.71Å; F252-Y263 HydrophobicContact CE2-CG 3.71Å; F252-Y263 HydrophobicContact CZ-CD1 4.31Å; F252-Y263 AromaticContact CZ-CD2 3.9Å; F252-Y263 HydrophobicContact CZ-CD2 3.9Å; F252-Y263 AromaticContact CZ-CG 3.71Å; F252-Y263 HydrophobicContact CZ-CG 3.71Å
253G96.8Very high97.3Very high18 Ų1851 Ų5119%0.18626%0.261CS..THydrogen-bonded Turntrans58.8-133.7-179.900000112.3D249 L255 K260D249-G253 WeakPolarHBondContact O-CA 3.31Å; D249-G253 PolarHBondContact O-N 2.97Å; G253-L255 VanDerWaalsContact C-N 3.26Å; G253-L255 PolarHBondContact O-N 3.29Å; G253-K260 WeakPolarHBondContact O-CE 3.05Å; G253-K260 PolarHBondContact O-NZ 3.23Å
254D96.7Very high97.3Very high122 Ų12253.2 Ų53.265%0.65228%0.275SS*.THydrogen-bonded Turntrans-8613.6177.163.3-48.5000113.5Y224 F252Y224-D254 VanDerWaalsContact CE1-OD1 3.24Å; Y224-D254 WeakPolarHBondContact CE1-OD1 3.14Å; Y224-D254 PolarHBondContact OH-OD2 3.23Å; F252-D254 PolarHBondContact O-N 2.79Å
255L97.9Very high97.4Very high2 Ų251.8 Ų51.81%0.0127%0.272CS..SBendtrans-57.4146.8166.9-77.7173.7000110.5I120 I123 A221 Y224 F252 G253 D257 I259I120-L255 HydrophobicContact CD1-CD2 3.72Å; I123-L255 HydrophobicContact CG2-CD2 4.16Å; A221-L255 HydrophobicContact CB-CD1 4.31Å; Y224-L255 HydrophobicContact CD1-CD1 4.24Å; Y224-L255 HydrophobicContact CD1-CD2 3.49Å; Y224-L255 VanDerWaalsContact CD1-CD2 3.49Å; Y224-L255 HydrophobicContact CD1-CG 3.51Å; Y224-L255 HydrophobicContact CD2-CD2 4.24Å; Y224-L255 HydrophobicContact CE1-CD2 3.86Å; Y224-L255 HydrophobicContact CE1-CG 3.92Å; Y224-L255 HydrophobicContact CG-CD2 3.69Å; Y224-L255 HydrophobicContact CG-CG 4.16Å; F252-L255 HydrophobicContact CB-CB 4.32Å; F252-L255 HydrophobicContact CB-CD1 4.31Å; F252-L255 HydrophobicContact CD1-CD1 4.21Å; F252-L255 VanDerWaalsContact O-CB 3.24Å; F252-L255 WeakPolarHBondContact O-CB 3.38Å; F252-L255 VanDerWaalsContact O-CG 3.27Å; F252-L255 WeakPolarHBondContact O-CG 3.36Å; F252-L255 PolarHBondContact O-N 2.82Å; F252-L255 VanDerWaalsContact O-N 3.15Å; G253-L255 VanDerWaalsContact C-N 3.26Å; G253-L255 PolarHBondContact O-N 3.29Å; L255-D257 PolarHBondContact O-N 3.25Å; L255-I259 HydrophobicContact CB-CD1 4.21Å; L255-I259 HydrophobicContact CD1-CD1 4.39Å; L255-I259 HydrophobicContact CD2-CD1 4.18Å
256P97.5Very high97.5Very high18 Ų1842.6 Ų42.612%0.11724%0.238CC..  trans-48.9135.3179-28.634000112.7E258 I259 I287 M291P256-E258 VanDerWaalsContact CB-OE2 3.3Å; P256-E258 WeakPolarHBondContact CB-OE2 3.17Å; P256-E258 PolarHBondContact O-N 3.48Å; P256-I259 WeakPolarHBondContact O-CB 3.25Å; P256-I259 PolarHBondContact O-N 3.37Å; P256-I287 HydrophobicContact CB-CD1 4Å; P256-I287 HydrophobicContact CB-CG1 4.31Å; P256-I287 HydrophobicContact CB-CG2 4.01Å; P256-I287 HydrophobicContact CG-CD1 4.46Å; P256-I287 HydrophobicContact CG-CG2 3.58Å; P256-M291 HydrophobicContact CG-SD 4.47Å
257D97.2Very high97.5Very high91 Ų9145 Ų4549%0.48725%0.247SC..Hα-helixtrans-60-25.4-173.6-73.5-32.5000112.6L255 I259 K260 H261L255-D257 PolarHBondContact O-N 3.25Å; D257-I259 PolarHBondContact O-N 2.95Å; D257-K260 WeakPolarHBondContact O-CA 3.45Å; D257-K260 WeakPolarHBondContact O-CB 3.32Å; D257-K260 PolarHBondContact O-N 3.13Å; D257-K260 WeakPolarHBondContact OD1-CD 3.33Å; D257-K260 WeakPolarHBondContact OD1-CE 3.49Å; D257-K260 IonicContact OD1-NZ 2.66Å; D257-K260 PolarHBondContact OD1-NZ 2.71Å; D257-H261 VanDerWaalsContact C-ND1 3.31Å; D257-H261 PolarHBondContact O-N 3.44Å; D257-H261 PolarHBondContact O-ND1 3.25Å
258E97.7Very high97.5Very high42 Ų4250.1 Ų50.120%0.19626%0.263CS..Hα-helixtrans-52.4-36.6171.5-65.189.1164.300112.3P256 H261 M262 I287 R290P256-E258 VanDerWaalsContact CB-OE2 3.3Å; P256-E258 WeakPolarHBondContact CB-OE2 3.17Å; P256-E258 PolarHBondContact O-N 3.48Å; E258-H261 PolarHBondContact O-N 3.11Å; E258-M262 VanDerWaalsContact O-CG 3.28Å; E258-M262 WeakPolarHBondContact O-CG 3.38Å; E258-M262 PolarHBondContact O-N 2.97Å; E258-I287 HydrophobicContact CB-CD1 3.83Å; E258-I287 HydrophobicContact CB-CG1 4.45Å; E258-I287 HydrophobicContact CG-CD1 4.26Å; E258-I287 HydrophobicContact CG-CG1 4.33Å; E258-R290 VanDerWaalsContact CD-NH2 3.34Å; E258-R290 IonicContact OE1-CZ 3.12Å; E258-R290 VanDerWaalsContact OE1-CZ 3.23Å; E258-R290 IonicContact OE1-NH1 2.91Å; E258-R290 PolarHBondContact OE1-NH1 2.92Å; E258-R290 IonicContact OE1-NH2 3.6Å; E258-R290 PolarHBondContact OE1-NH2 3.32Å; E258-R290 IonicContact OE2-NH2 3.79Å; E258-R290 PolarHBondContact OE2-NH2 3.36Å; E258-R290 VanDerWaalsContact OE2-NH2 3.09Å
259I98.1Very high97.5Very high1 Ų149.7 Ų49.71%0.00526%0.259CS..Hα-helixtrans-66.5-40.8176.6-62-178.8000110.9L124 L217 F252 L255 P256 D257 M262 Y263 F284L124-I259 HydrophobicContact CD2-CD1 4.45Å; L217-I259 HydrophobicContact CD2-CG2 4.23Å; F252-I259 HydrophobicContact CD1-CG2 3.9Å; F252-I259 HydrophobicContact CE1-CG2 4.09Å; L255-I259 HydrophobicContact CB-CD1 4.21Å; L255-I259 HydrophobicContact CD1-CD1 4.39Å; L255-I259 HydrophobicContact CD2-CD1 4.18Å; P256-I259 WeakPolarHBondContact O-CB 3.25Å; P256-I259 PolarHBondContact O-N 3.37Å; D257-I259 PolarHBondContact O-N 2.95Å; I259-M262 WeakPolarHBondContact O-CB 3.27Å; I259-M262 PolarHBondContact O-N 3.03Å; I259-Y263 PolarHBondContact O-N 2.76Å; I259-F284 HydrophobicContact CD1-CE1 4.11Å; I259-F284 HydrophobicContact CG1-CE1 3.97Å
260K98Very high97.4Very high24 Ų2452.5 Ų52.510%0.10427%0.267CS..Hα-helixtrans-63.4-44.3175-58.4178.4-1681670110.3L248 D249 F252 G253 D257 M262 Y263 T264L248-K260 HydrophobicContact CB-CB 4.45Å; L248-K260 HydrophobicContact CB-CD 4.19Å; L248-K260 HydrophobicContact CB-CG 4.29Å; L248-K260 HydrophobicContact CD1-CB 4.07Å; D249-K260 WeakPolarHBondContact OD1-CE 3.44Å; D249-K260 IonicContact OD1-NZ 3.09Å; D249-K260 PolarHBondContact OD1-NZ 3.16Å; F252-K260 HydrophobicContact CB-CG 4.05Å; F252-K260 HydrophobicContact CD2-CG 4.06Å; F252-K260 HydrophobicContact CG-CG 4.29Å; G253-K260 WeakPolarHBondContact O-CE 3.05Å; G253-K260 PolarHBondContact O-NZ 3.23Å; D257-K260 WeakPolarHBondContact O-CA 3.45Å; D257-K260 WeakPolarHBondContact O-CB 3.32Å; D257-K260 PolarHBondContact O-N 3.13Å; D257-K260 WeakPolarHBondContact OD1-CD 3.33Å; D257-K260 WeakPolarHBondContact OD1-CE 3.49Å; D257-K260 IonicContact OD1-NZ 2.66Å; D257-K260 PolarHBondContact OD1-NZ 2.71Å; K260-M262 PolarHBondContact O-N 3.35Å; K260-Y263 PolarHBondContact O-N 3.3Å; K260-T264 PolarHBondContact O-N 2.99Å; K260-T264 PolarHBondContact O-OG1 2.78Å; K260-T264 VanDerWaalsContact O-OG1 3.13Å
261H97.6Very high97.3Very high126 Ų12651.2 Ų51.258%0.58326%0.256SS*.Hα-helixtrans-62-41.5175.6-66.1105.2000112.4D257 E258 T264 S265D257-H261 VanDerWaalsContact C-ND1 3.31Å; D257-H261 PolarHBondContact O-N 3.44Å; D257-H261 PolarHBondContact O-ND1 3.25Å; E258-H261 PolarHBondContact O-N 3.11Å; H261-T264 PolarHBondContact O-N 3.34Å; H261-S265 WeakPolarHBondContact O-CB 3.48Å; H261-S265 PolarHBondContact O-N 2.75Å
262M98.1Very high97.2Very high6 Ų652.8 Ų52.83%0.0327%0.272CS..Hα-helixtrans-58.4-49.1173.9-73.3178.7-161.900111.1L217 E258 I259 K260 T264 S265 L266 M280 Q283 F284L217-M262 HydrophobicContact CD1-CB 4.19Å; E258-M262 VanDerWaalsContact O-CG 3.28Å; E258-M262 WeakPolarHBondContact O-CG 3.38Å; E258-M262 PolarHBondContact O-N 2.97Å; I259-M262 WeakPolarHBondContact O-CB 3.27Å; I259-M262 PolarHBondContact O-N 3.03Å; K260-M262 PolarHBondContact O-N 3.35Å; M262-T264 PolarHBondContact O-N 2.72Å; M262-S265 PolarHBondContact O-N 2.98Å; M262-L266 VanDerWaalsContact O-CG 3.28Å; M262-L266 WeakPolarHBondContact O-CG 3.41Å; M262-L266 PolarHBondContact O-N 3.08Å; M262-M280 HydrophobicContact CB-CE 4.49Å; M262-M280 HydrophobicContact CE-CB 4.44Å; M262-M280 HydrophobicContact CG-CE 4.5Å; M262-M280 HydrophobicContact CG-CG 4.41Å; M262-M280 HydrophobicContact SD-CB 4.39Å; M262-M280 HydrophobicContact SD-CG 4.09Å; M262-Q283 HydrophobicContact CE-CB 3.32Å; M262-Q283 HydrophobicContact CE-CG 4.09Å; M262-F284 HydrophobicContact CE-CE1 4.29Å; M262-F284 HydrophobicContact CE-CE2 4.27Å; M262-F284 HydrophobicContact CE-CZ 4.12Å; M262-F284 HydrophobicContact SD-CE1 4.32Å; M262-F284 HydrophobicContact SD-CE2 4.11Å; M262-F284 HydrophobicContact SD-CZ 3.76Å
263Y98.1Very high97.1Very high15 Ų1556 Ų566%0.05929%0.289CS..Hα-helixtrans-58.3-49.9176.9176.5-102.3000111.6I214 L217 F218 L248 F252 I259 K260 S265 L266 M267I214-Y263 HydrophobicContact CG2-CD2 4.43Å; I214-Y263 HydrophobicContact CG2-CE2 4.01Å; L217-Y263 HydrophobicContact CD1-CD2 4.43Å; F218-Y263 AromaticContact CE1-CE2 3.84Å; F218-Y263 HydrophobicContact CE1-CE2 3.84Å; F218-Y263 HydrophobicContact CE2-CE2 4.42Å; F218-Y263 AromaticContact CZ-CE2 3.57Å; F218-Y263 HydrophobicContact CZ-CE2 3.57Å; L248-Y263 HydrophobicContact CD2-CD1 3.44Å; L248-Y263 VanDerWaalsContact CD2-CD1 3.44Å; L248-Y263 HydrophobicContact CD2-CE1 3.66Å; F252-Y263 AromaticContact CE2-CD1 3.86Å; F252-Y263 HydrophobicContact CE2-CD1 3.86Å; F252-Y263 HydrophobicContact CE2-CD2 4.29Å; F252-Y263 AromaticContact CE2-CG 3.71Å; F252-Y263 HydrophobicContact CE2-CG 3.71Å; F252-Y263 HydrophobicContact CZ-CD1 4.31Å; F252-Y263 AromaticContact CZ-CD2 3.9Å; F252-Y263 HydrophobicContact CZ-CD2 3.9Å; F252-Y263 AromaticContact CZ-CG 3.71Å; F252-Y263 HydrophobicContact CZ-CG 3.71Å; I259-Y263 PolarHBondContact O-N 2.76Å; K260-Y263 PolarHBondContact O-N 3.3Å; Y263-S265 VanDerWaalsContact C-N 3.28Å; Y263-S265 PolarHBondContact O-N 2.53Å; Y263-L266 PolarHBondContact O-N 2.97Å; Y263-L266 VanDerWaalsContact O-N 3.12Å; Y263-M267 HydrophobicContact CD1-CG 4.17Å; Y263-M267 HydrophobicContact CD2-CG 4.33Å; Y263-M267 HydrophobicContact CE1-CG 3.82Å; Y263-M267 HydrophobicContact CE1-SD 4.41Å; Y263-M267 HydrophobicContact CE2-CG 3.97Å; Y263-M267 HydrophobicContact CE2-SD 3.91Å; Y263-M267 HydrophobicContact CG-CG 4.44Å; Y263-M267 VanDerWaalsContact O-CG 3.27Å; Y263-M267 WeakPolarHBondContact O-CG 3.44Å; Y263-M267 PolarHBondContact O-N 3.21Å
264T97.4Very high97Very high53 Ų5361.6 Ų61.633%0.32531%0.314SS..Hα-helixtrans-60-36.9177.9-57.80000112.5K260 H261 M262K260-T264 PolarHBondContact O-N 2.99Å; K260-T264 PolarHBondContact O-OG1 2.78Å; K260-T264 VanDerWaalsContact O-OG1 3.13Å; H261-T264 PolarHBondContact O-N 3.34Å; M262-T264 PolarHBondContact O-N 2.72Å
265S97.6Very high97.1Very high65 Ų6556.4 Ų56.446%0.45529%0.287SS..Hα-helixtrans-68.6-39.4175.4-173.90000112.4H261 M262 Y263 K268H261-S265 WeakPolarHBondContact O-CB 3.48Å; H261-S265 PolarHBondContact O-N 2.75Å; M262-S265 PolarHBondContact O-N 2.98Å; Y263-S265 VanDerWaalsContact C-N 3.28Å; Y263-S265 PolarHBondContact O-N 2.53Å; S265-K268 PolarHBondContact O-N 3.31Å
266L98Very high97.1Very high0 Ų061.1 Ų61.10%031%0.312CS..Hα-helixtrans-67.2-38.5178.4-72.8163.3000111.7V213 I214 L217 M262 Y263 K268 K269 V275 M280V213-L266 HydrophobicContact CB-CD1 4.14Å; V213-L266 HydrophobicContact CB-CD2 4.33Å; V213-L266 HydrophobicContact CG1-CD1 3.65Å; V213-L266 HydrophobicContact CG1-CD2 4.36Å; I214-L266 HydrophobicContact CD1-CB 4.12Å; I214-L266 HydrophobicContact CG1-CB 3.83Å; I214-L266 HydrophobicContact CG1-CD1 4.14Å; L217-L266 HydrophobicContact CD1-CD1 3.78Å; M262-L266 VanDerWaalsContact O-CG 3.28Å; M262-L266 WeakPolarHBondContact O-CG 3.41Å; M262-L266 PolarHBondContact O-N 3.08Å; Y263-L266 PolarHBondContact O-N 2.97Å; Y263-L266 VanDerWaalsContact O-N 3.12Å; L266-K268 PolarHBondContact O-N 3.19Å; L266-K268 VanDerWaalsContact O-N 3.11Å; L266-K269 HydrophobicContact CD2-CD 4.09Å; L266-K269 VanDerWaalsContact O-CB 3.32Å; L266-K269 WeakPolarHBondContact O-CB 3.31Å; L266-K269 PolarHBondContact O-N 2.66Å; L266-V275 HydrophobicContact CD2-CG2 4.3Å; L266-M280 HydrophobicContact CD1-CE 4.01Å; L266-M280 HydrophobicContact CD2-CE 3.88Å; L266-M280 HydrophobicContact CG-CE 3.94Å
267M95.9Very high97.1Very high77 Ų7761.3 Ų61.338%0.37931%0.311SS..THydrogen-bonded Turntrans-62.4-18.1178.2-70.2-67.3-68.800114L199 I214 Y263L199-M267 HydrophobicContact CD1-CE 3.76Å; I214-M267 HydrophobicContact CD1-SD 4.1Å; Y263-M267 HydrophobicContact CD1-CG 4.17Å; Y263-M267 HydrophobicContact CD2-CG 4.33Å; Y263-M267 HydrophobicContact CE1-CG 3.82Å; Y263-M267 HydrophobicContact CE1-SD 4.41Å; Y263-M267 HydrophobicContact CE2-CG 3.97Å; Y263-M267 HydrophobicContact CE2-SD 3.91Å; Y263-M267 HydrophobicContact CG-CG 4.44Å; Y263-M267 VanDerWaalsContact O-CG 3.27Å; Y263-M267 WeakPolarHBondContact O-CG 3.44Å; Y263-M267 PolarHBondContact O-N 3.21Å
268K96.6Very high97.1Very high158 Ų15860.9 Ų60.969%0.68731%0.312SS*.THydrogen-bonded Turntrans-87-11.3176.2-64.9173.3-174.9176.90113.3S265 L266S265-K268 PolarHBondContact O-N 3.31Å; L266-K268 PolarHBondContact O-N 3.19Å; L266-K268 VanDerWaalsContact O-N 3.11Å
269K97.1Very high97.2Very high47 Ų4759.5 Ų59.520%0.20431%0.309CS..  trans-72.7149.8-177.4-69.1-172.5179.2-66.50112Y210 L266 D273 L274Y210-K269 HydrophobicContact CD1-CB 3.63Å; Y210-K269 HydrophobicContact CD1-CD 3.91Å; Y210-K269 HydrophobicContact CD1-CG 4.42Å; Y210-K269 HydrophobicContact CD2-CB 4.19Å; Y210-K269 HydrophobicContact CE1-CB 3.88Å; Y210-K269 HydrophobicContact CE2-CB 4.43Å; Y210-K269 HydrophobicContact CG-CB 3.81Å; Y210-K269 HydrophobicContact CG-CD 3.91Å; Y210-K269 HydrophobicContact CG-CG 4.49Å; L266-K269 HydrophobicContact CD2-CD 4.09Å; L266-K269 VanDerWaalsContact O-CB 3.32Å; L266-K269 WeakPolarHBondContact O-CB 3.31Å; L266-K269 PolarHBondContact O-N 2.66Å; K269-D273 VanDerWaalsContact CA-OD2 3.31Å; K269-D273 WeakPolarHBondContact CA-OD2 3.21Å; K269-D273 HydrophobicContact CB-CB 3.99Å; K269-D273 HydrophobicContact CD-CB 4.24Å; K269-D273 HydrophobicContact CG-CB 4.07Å; K269-L274 WeakPolarHBondContact CE-O 3.2Å; K269-L274 PolarHBondContact NZ-O 2.71Å
270K95.8Very high97.2Very high155 Ų15560.1 Ų60.167%0.67431%0.312SS*.  trans-116.8162.2174.3-60.1179.4-175.5177.20109.7Y210 G272 D273Y210-K270 WeakPolarHBondContact CE1-O 3.21Å; K270-G272 PolarHBondContact O-N 3.46Å; K270-D273 PolarHBondContact N-OD2 3.47Å; K270-D273 VanDerWaalsContact O-CB 3.25Å; K270-D273 WeakPolarHBondContact O-CB 3.22Å; K270-D273 PolarHBondContact O-N 3.03Å
271Y96.1Very high97.2Very high54 Ų5463.1 Ų63.121%0.21232%0.323CS..THydrogen-bonded Turntrans-51.4125.8176.2-170-88.7000111.2V181 R182 P184 E206 Y208 Y210V181-Y271 HydrophobicContact CG1-CE1 3.88Å; R182-Y271 WeakPolarHBondContact O-CE1 3.32Å; R182-Y271 PolarHBondContact O-OH 3.19Å; P184-Y271 HydrophobicContact CB-CD1 3.86Å; P184-Y271 HydrophobicContact CB-CD2 4.04Å; P184-Y271 HydrophobicContact CB-CE1 3.92Å; P184-Y271 HydrophobicContact CB-CE2 4.11Å; P184-Y271 HydrophobicContact CB-CG 3.92Å; P184-Y271 HydrophobicContact CG-CD1 3.9Å; P184-Y271 HydrophobicContact CG-CE1 4.15Å; P184-Y271 HydrophobicContact CG-CG 4.28Å; E206-Y271 HydrophobicContact CB-CD2 4.2Å; E206-Y271 HydrophobicContact CB-CE2 4.05Å; E206-Y271 HydrophobicContact CG-CD2 4.05Å; E206-Y271 HydrophobicContact CG-CE2 3.4Å; Y208-Y271 AromaticContact CD2-CD2 3.9Å; Y208-Y271 HydrophobicContact CD2-CD2 3.9Å; Y208-Y271 HydrophobicContact CD2-CE1 4.36Å; Y208-Y271 AromaticContact CD2-CE2 3.55Å; Y208-Y271 HydrophobicContact CD2-CE2 3.55Å; Y208-Y271 HydrophobicContact CD2-CG 4.44Å; Y208-Y271 AromaticContact CD2-CZ 3.81Å; Y208-Y271 HydrophobicContact CE2-CE1 4.43Å; Y208-Y271 HydrophobicContact CE2-CE2 4.33Å; Y208-Y271 HydrophobicContact CG-CD2 4.23Å; Y208-Y271 HydrophobicContact CG-CE2 4.29Å; Y210-Y271 PolarHBondContact OH-N 3.07Å
272G95.4Very high97.2Very high34 Ų3463.6 Ų63.635%0.35132%0.323SS..THydrogen-bonded Turntrans97-14.7-174.900000115K270K270-G272 PolarHBondContact O-N 3.46Å
273D96.6Very high97.2Very high67 Ų6766.7 Ų66.736%0.35834%0.338SS..PPolyproline II helixtrans-70.5131.9175.9-71.3-16000111.3Y208 K269 K270Y208-D273 WeakPolarHBondContact CE1-O 3.36Å; K269-D273 VanDerWaalsContact CA-OD2 3.31Å; K269-D273 WeakPolarHBondContact CA-OD2 3.21Å; K269-D273 HydrophobicContact CB-CB 3.99Å; K269-D273 HydrophobicContact CD-CB 4.24Å; K269-D273 HydrophobicContact CG-CB 4.07Å; K270-D273 PolarHBondContact N-OD2 3.47Å; K270-D273 VanDerWaalsContact O-CB 3.25Å; K270-D273 WeakPolarHBondContact O-CB 3.22Å; K270-D273 PolarHBondContact O-N 3.03Å
274L94.8Very high97.2Very high136 Ų13666.1 Ų66.171%0.71234%0.335SS*.PPolyproline II helixtrans-76.5144.2-179.7-58.2179.4000111.8K269K269-L274 WeakPolarHBondContact CE-O 3.2Å; K269-L274 PolarHBondContact NZ-O 2.71Å
275V97.5Very high97.2Very high14 Ų1465.5 Ų65.59%0.08533%0.329CS..PPolyproline II helixtrans-87.9132.9168.9175.30000109.3V213 L266 Y277 M280V213-V275 HydrophobicContact CG2-CG1 4.15Å; V213-V275 HydrophobicContact CG2-CG2 4.34Å; L266-V275 HydrophobicContact CD2-CG2 4.3Å; V275-Y277 VanDerWaalsContact C-N 3.34Å; V275-Y277 HydrophobicContact CB-CD2 4.13Å; V275-Y277 HydrophobicContact CB-CE1 4.28Å; V275-Y277 HydrophobicContact CB-CE2 3.57Å; V275-Y277 HydrophobicContact CG1-CD1 4.06Å; V275-Y277 HydrophobicContact CG1-CD2 4.12Å; V275-Y277 HydrophobicContact CG1-CE1 3.79Å; V275-Y277 HydrophobicContact CG1-CE2 3.87Å; V275-Y277 HydrophobicContact CG1-CG 4.17Å; V275-Y277 WeakPolarHBondContact O-CD2 3.34Å; V275-Y277 PolarHBondContact O-N 2.91Å; V275-Y277 VanDerWaalsContact O-N 3.11Å; V275-M280 HydrophobicContact CG1-CE 4.15Å; V275-M280 HydrophobicContact CG1-SD 3.89Å
276D97.5Very high97.2Very high100 Ų10065.3 Ų65.354%0.53533%0.327SS..  trans-8476.4172.4-178.514000110.9T278 G279 M280D276-T278 PolarHBondContact O-N 2.82Å; D276-T278 PolarHBondContact OD1-N 3.38Å; D276-G279 PolarHBondContact O-N 3.34Å; D276-G279 PolarHBondContact OD1-N 2.75Å; D276-G279 WeakPolarHBondContact OD2-CA 3.44Å; D276-M280 WeakPolarHBondContact O-CG 3.42Å; D276-M280 PolarHBondContact O-N 3.05Å
277Y98.4Very high97.2Very high22 Ų2265.3 Ų65.39%0.08633%0.327CS..Hα-helixtrans-57.3-38.4178.3-66.7-78.6000112.5L131 I134 K135 H138 V213 V275 M280 R281L131-Y277 HydrophobicContact CD1-CD1 3.66Å; L131-Y277 HydrophobicContact CD1-CE1 3.89Å; L131-Y277 HydrophobicContact CG-CD1 3.97Å; I134-Y277 HydrophobicContact CG2-CE1 4.4Å; K135-Y277 HydrophobicContact CB-CD1 3.72Å; K135-Y277 HydrophobicContact CB-CD2 4.4Å; K135-Y277 HydrophobicContact CB-CE1 4.08Å; K135-Y277 HydrophobicContact CB-CG 3.94Å; K135-Y277 HydrophobicContact CD-CD1 4.46Å; K135-Y277 HydrophobicContact CD-CD2 4.35Å; K135-Y277 HydrophobicContact CD-CG 3.92Å; K135-Y277 HydrophobicContact CG-CD1 4.05Å; K135-Y277 HydrophobicContact CG-CD2 3.88Å; K135-Y277 HydrophobicContact CG-CE2 4.41Å; K135-Y277 HydrophobicContact CG-CG 3.72Å; H138-Y277 PolarHBondContact CE1-OH 2.78Å; H138-Y277 VanDerWaalsContact CE1-OH 3.3Å; H138-Y277 AromaticContact ND1-CZ 3.56Å; H138-Y277 PolarHBondContact ND1-OH 3.12Å; V213-Y277 HydrophobicContact CG2-CE1 3.95Å; V275-Y277 VanDerWaalsContact C-N 3.34Å; V275-Y277 HydrophobicContact CB-CD2 4.13Å; V275-Y277 HydrophobicContact CB-CE1 4.28Å; V275-Y277 HydrophobicContact CB-CE2 3.57Å; V275-Y277 HydrophobicContact CG1-CD1 4.06Å; V275-Y277 HydrophobicContact CG1-CD2 4.12Å; V275-Y277 HydrophobicContact CG1-CE1 3.79Å; V275-Y277 HydrophobicContact CG1-CE2 3.87Å; V275-Y277 HydrophobicContact CG1-CG 4.17Å; V275-Y277 WeakPolarHBondContact O-CD2 3.34Å; V275-Y277 PolarHBondContact O-N 2.91Å; V275-Y277 VanDerWaalsContact O-N 3.11Å; Y277-M280 PolarHBondContact O-N 3.4Å; Y277-R281 WeakPolarHBondContact O-CB 3.42Å; Y277-R281 PolarHBondContact O-N 2.98Å
278T97.9Very high97.4Very high82 Ų8261.9 Ų61.950%0.50331%0.311SS..Hα-helixtrans-66.6-46-178.5-56.80000110.7D276 R281 K282D276-T278 PolarHBondContact O-N 2.82Å; D276-T278 PolarHBondContact OD1-N 3.38Å; T278-R281 PolarHBondContact O-N 2.99Å; T278-K282 WeakPolarHBondContact O-CG 3.39Å; T278-K282 PolarHBondContact O-N 3.31Å
279G97.9Very high97.4Very high14 Ų1461.2 Ų61.214%0.14431%0.31CS..Hα-helixtrans-64.2-38.5175.700000113D276 Q283D276-G279 PolarHBondContact O-N 3.34Å; D276-G279 PolarHBondContact OD1-N 2.75Å; D276-G279 WeakPolarHBondContact OD2-CA 3.44Å; G279-Q283 WeakPolarHBondContact O-CG 3.41Å; G279-Q283 PolarHBondContact O-N 3.18Å; G279-Q283 PolarHBondContact O-NE2 2.71Å
280M98.3Very high97.5Very high13 Ų1365.7 Ų65.76%0.06433%0.325CS..Hα-helixtrans-65.4-45.5175.1-72.5-178.9175.500112.2L131 V213 M262 L266 V275 D276 Y277 K282 Q283 F284L131-M280 HydrophobicContact CD2-CB 3.7Å; V213-M280 HydrophobicContact CG1-CE 4.43Å; V213-M280 HydrophobicContact CG1-SD 3.95Å; M262-M280 HydrophobicContact CB-CE 4.49Å; M262-M280 HydrophobicContact CE-CB 4.44Å; M262-M280 HydrophobicContact CG-CE 4.5Å; M262-M280 HydrophobicContact CG-CG 4.41Å; M262-M280 HydrophobicContact SD-CB 4.39Å; M262-M280 HydrophobicContact SD-CG 4.09Å; L266-M280 HydrophobicContact CD1-CE 4.01Å; L266-M280 HydrophobicContact CD2-CE 3.88Å; L266-M280 HydrophobicContact CG-CE 3.94Å; V275-M280 HydrophobicContact CG1-CE 4.15Å; V275-M280 HydrophobicContact CG1-SD 3.89Å; D276-M280 WeakPolarHBondContact O-CG 3.42Å; D276-M280 PolarHBondContact O-N 3.05Å; Y277-M280 PolarHBondContact O-N 3.4Å; M280-K282 PolarHBondContact O-N 2.89Å; M280-Q283 WeakPolarHBondContact O-CB 3.4Å; M280-Q283 PolarHBondContact O-N 2.99Å; M280-F284 VanDerWaalsContact O-CD2 3.22Å; M280-F284 WeakPolarHBondContact O-CD2 3.26Å; M280-F284 PolarHBondContact O-N 3.46Å
281R98.1Very high97.6Very high88 Ų8862.2 Ų62.233%0.33231%0.312SS..Hα-helixtrans-57.6-47.7175.1-176.4179.9-174.7-84.70.9111.6I128 E132 Y277 T278 Q283 F284 Q285I128-R281 HydrophobicContact CG2-CG 4.29Å; E132-R281 IonicContact OE1-CZ 3.18Å; E132-R281 IonicContact OE1-NE 3.54Å; E132-R281 PolarHBondContact OE1-NE 2.81Å; E132-R281 IonicContact OE1-NH2 2.81Å; Y277-R281 WeakPolarHBondContact O-CB 3.42Å; Y277-R281 PolarHBondContact O-N 2.98Å; T278-R281 PolarHBondContact O-N 2.99Å; R281-Q283 VanDerWaalsContact C-N 3.3Å; R281-Q283 PolarHBondContact O-N 2.96Å; R281-F284 PolarHBondContact O-N 3.49Å; R281-Q285 VanDerWaalsContact NH1-NE2 3.13Å; R281-Q285 VanDerWaalsContact NH1-OE1 3.08Å; R281-Q285 WeakPolarHBondContact O-CG 3.3Å; R281-Q285 PolarHBondContact O-N 3.46Å
282K98Very high97.6Very high135 Ų13567 Ų6759%0.58734%0.342SS*.Hα-helixtrans-60-38.6177.3-75.1179.9179.1-176.90112.6T278 M280 Q285 S286T278-K282 WeakPolarHBondContact O-CG 3.39Å; T278-K282 PolarHBondContact O-N 3.31Å; M280-K282 PolarHBondContact O-N 2.89Å; K282-Q285 PolarHBondContact O-N 3.22Å; K282-S286 WeakPolarHBondContact O-CB 3.33Å; K282-S286 PolarHBondContact O-N 3.32Å
283Q98Very high97.7Very high72 Ų7266.3 Ų66.334%0.33633%0.33SS..Hα-helixtrans-64.1-46.1174.6-78.5175.67900111.5M262 G279 M280 R281 Q285 S286 I287M262-Q283 HydrophobicContact CE-CB 3.32Å; M262-Q283 HydrophobicContact CE-CG 4.09Å; G279-Q283 WeakPolarHBondContact O-CG 3.41Å; G279-Q283 PolarHBondContact O-N 3.18Å; G279-Q283 PolarHBondContact O-NE2 2.71Å; M280-Q283 WeakPolarHBondContact O-CB 3.4Å; M280-Q283 PolarHBondContact O-N 2.99Å; R281-Q283 VanDerWaalsContact C-N 3.3Å; R281-Q283 PolarHBondContact O-N 2.96Å; Q283-Q285 VanDerWaalsContact C-N 3.33Å; Q283-Q285 PolarHBondContact O-N 3.32Å; Q283-S286 PolarHBondContact O-N 3Å; Q283-I287 WeakPolarHBondContact O-CD1 3.17Å; Q283-I287 WeakPolarHBondContact O-CG1 3.03Å; Q283-I287 PolarHBondContact O-N 3.33Å
284F98.2Very high97.7Very high2 Ų265.3 Ų65.31%0.00933%0.331CS..Hα-helixtrans-59.6-42.8174.9-69.8-56.1000112.5L124 A127 I128 L131 I259 M262 M280 R281 I287 M288L124-F284 HydrophobicContact CD2-CD1 4.01Å; A127-F284 HydrophobicContact CB-CD1 3.79Å; A127-F284 HydrophobicContact CB-CD2 4.1Å; A127-F284 HydrophobicContact CB-CE1 3.61Å; A127-F284 HydrophobicContact CB-CE2 3.93Å; A127-F284 HydrophobicContact CB-CG 4.05Å; A127-F284 HydrophobicContact CB-CZ 3.7Å; I128-F284 HydrophobicContact CD1-CB 3.96Å; I128-F284 HydrophobicContact CG1-CB 3.58Å; I128-F284 HydrophobicContact CG1-CD2 4.41Å; I128-F284 HydrophobicContact CG1-CG 4.29Å; L131-F284 HydrophobicContact CD2-CD2 4.41Å; L131-F284 HydrophobicContact CD2-CE2 4.22Å; I259-F284 HydrophobicContact CD1-CE1 4.11Å; I259-F284 HydrophobicContact CG1-CE1 3.97Å; M262-F284 HydrophobicContact CE-CE1 4.29Å; M262-F284 HydrophobicContact CE-CE2 4.27Å; M262-F284 HydrophobicContact CE-CZ 4.12Å; M262-F284 HydrophobicContact SD-CE1 4.32Å; M262-F284 HydrophobicContact SD-CE2 4.11Å; M262-F284 HydrophobicContact SD-CZ 3.76Å; M280-F284 VanDerWaalsContact O-CD2 3.22Å; M280-F284 WeakPolarHBondContact O-CD2 3.26Å; M280-F284 PolarHBondContact O-N 3.46Å; R281-F284 PolarHBondContact O-N 3.49Å; F284-I287 HydrophobicContact CD1-CD1 4.36Å; F284-I287 PolarHBondContact O-N 3.49Å; F284-M288 WeakPolarHBondContact O-CG 3.28Å; F284-M288 PolarHBondContact O-N 3.22Å
285Q98Very high97.7Very high40 Ų4065 Ų6519%0.18733%0.326CS..Hα-helixtrans-62.1-43.9175.7-69.4-178.3-58.600112.1I128 R281 K282 Q283 I287 M288 E289I128-Q285 HydrophobicContact CD1-CG 3.77Å; R281-Q285 VanDerWaalsContact NH1-NE2 3.13Å; R281-Q285 VanDerWaalsContact NH1-OE1 3.08Å; R281-Q285 WeakPolarHBondContact O-CG 3.3Å; R281-Q285 PolarHBondContact O-N 3.46Å; K282-Q285 PolarHBondContact O-N 3.22Å; Q283-Q285 VanDerWaalsContact C-N 3.33Å; Q283-Q285 PolarHBondContact O-N 3.32Å; Q285-I287 VanDerWaalsContact C-N 3.33Å; Q285-I287 PolarHBondContact O-N 2.94Å; Q285-M288 WeakPolarHBondContact O-CB 3.46Å; Q285-M288 PolarHBondContact O-N 3.15Å; Q285-M288 VanDerWaalsContact O-N 3.16Å; Q285-E289 WeakPolarHBondContact O-CG 3.41Å; Q285-E289 PolarHBondContact O-N 2.95Å
286S98Very high97.5Very high61 Ų6173.9 Ų73.943%0.42736%0.364SS..Hα-helixtrans-63.4-37.7177.1-177.60000112.6K282 Q283 R290K282-S286 WeakPolarHBondContact O-CB 3.33Å; K282-S286 PolarHBondContact O-N 3.32Å; Q283-S286 PolarHBondContact O-N 3Å; S286-R290 WeakPolarHBondContact O-CB 3.43Å; S286-R290 PolarHBondContact O-N 3.47Å
287I98.2Very high97.4Very high0 Ų071.7 Ų71.70%035%0.352CS..Hα-helixtrans-63.7-45.5173.1-62.2161000110.1L124 P256 E258 Q283 F284 Q285 R290 M291L124-I287 HydrophobicContact CD1-CB 4.36Å; L124-I287 HydrophobicContact CD1-CG2 3.48Å; L124-I287 VanDerWaalsContact CD1-CG2 3.48Å; L124-I287 HydrophobicContact CD2-CB 4.4Å; L124-I287 HydrophobicContact CD2-CD1 4.37Å; L124-I287 HydrophobicContact CD2-CG2 3.88Å; L124-I287 HydrophobicContact CG-CG2 4.36Å; P256-I287 HydrophobicContact CB-CD1 4Å; P256-I287 HydrophobicContact CB-CG1 4.31Å; P256-I287 HydrophobicContact CB-CG2 4.01Å; P256-I287 HydrophobicContact CG-CD1 4.46Å; P256-I287 HydrophobicContact CG-CG2 3.58Å; E258-I287 HydrophobicContact CB-CD1 3.83Å; E258-I287 HydrophobicContact CB-CG1 4.45Å; E258-I287 HydrophobicContact CG-CD1 4.26Å; E258-I287 HydrophobicContact CG-CG1 4.33Å; Q283-I287 WeakPolarHBondContact O-CD1 3.17Å; Q283-I287 WeakPolarHBondContact O-CG1 3.03Å; Q283-I287 PolarHBondContact O-N 3.33Å; F284-I287 HydrophobicContact CD1-CD1 4.36Å; F284-I287 PolarHBondContact O-N 3.49Å; Q285-I287 VanDerWaalsContact C-N 3.33Å; Q285-I287 PolarHBondContact O-N 2.94Å; I287-R290 PolarHBondContact O-N 2.95Å; I287-M291 HydrophobicContact CG2-CG 4.45Å; I287-M291 HydrophobicContact CG2-SD 3.9Å; I287-M291 WeakPolarHBondContact O-CB 3.49Å; I287-M291 VanDerWaalsContact O-CG 3.32Å; I287-M291 WeakPolarHBondContact O-CG 3.3Å; I287-M291 PolarHBondContact O-N 3.39Å
288M98.4Very high97.2Very high6 Ų673.2 Ų73.23%0.0336%0.364CS..Hα-helixtrans-59.9-46.2177.9-74.1172.558.200111.8L124 R125 I128 F284 Q285 R290 M291 N292 I293 E295L124-M288 HydrophobicContact CB-CG 3.7Å; L124-M288 HydrophobicContact CB-SD 4.18Å; L124-M288 HydrophobicContact CD1-CG 4.1Å; R125-M288 HydrophobicContact CG-CE 3.62Å; R125-M288 HydrophobicContact CG-SD 4.16Å; I128-M288 HydrophobicContact CD1-SD 3.52Å; I128-M288 VanDerWaalsContact CD1-SD 3.52Å; F284-M288 WeakPolarHBondContact O-CG 3.28Å; F284-M288 PolarHBondContact O-N 3.22Å; Q285-M288 WeakPolarHBondContact O-CB 3.46Å; Q285-M288 PolarHBondContact O-N 3.15Å; Q285-M288 VanDerWaalsContact O-N 3.16Å; M288-R290 PolarHBondContact O-N 3.3Å; M288-M291 CarbonylContact O-C 3.57Å; M288-M291 PolarHBondContact O-N 3.26Å; M288-N292 PolarHBondContact O-N 3.31Å; M288-I293 HydrophobicContact CB-CB 4.11Å; M288-I293 HydrophobicContact CE-CG2 4.01Å; M288-I293 HydrophobicContact CG-CB 4.22Å; M288-I293 HydrophobicContact CG-CG2 4.2Å; M288-I293 PolarHBondContact O-N 2.98Å; M288-E295 HydrophobicContact CE-CG 4.08Å
289E97.9Very high97Very high143 Ų14369.9 Ų69.967%0.66834%0.343SS*.Hα-helixtrans-57.5-48.7175-72.8171-175.700111.3Q285 M291 N292Q285-E289 WeakPolarHBondContact O-CG 3.41Å; Q285-E289 PolarHBondContact O-N 2.95Å; E289-M291 PolarHBondContact O-N 3.43Å; E289-N292 PolarHBondContact O-N 3.19Å; E289-N292 VanDerWaalsContact O-N 3.14Å
290R97.8Very high96.9Very high141 Ų14170.2 Ų70.253%0.53234%0.341SS..Hα-helixtrans-60.4-31.4178-177.617465.8-151.70.9113E258 S286 I287 M288E258-R290 VanDerWaalsContact CD-NH2 3.34Å; E258-R290 IonicContact OE1-CZ 3.12Å; E258-R290 VanDerWaalsContact OE1-CZ 3.23Å; E258-R290 IonicContact OE1-NH1 2.91Å; E258-R290 PolarHBondContact OE1-NH1 2.92Å; E258-R290 IonicContact OE1-NH2 3.6Å; E258-R290 PolarHBondContact OE1-NH2 3.32Å; E258-R290 IonicContact OE2-NH2 3.79Å; E258-R290 PolarHBondContact OE2-NH2 3.36Å; E258-R290 VanDerWaalsContact OE2-NH2 3.09Å; S286-R290 WeakPolarHBondContact O-CB 3.43Å; S286-R290 PolarHBondContact O-N 3.47Å; I287-R290 PolarHBondContact O-N 2.95Å; M288-R290 PolarHBondContact O-N 3.3Å
291M97.5Very high96.6Very high82 Ų8270 Ų7040%0.40434%0.34SS..THydrogen-bonded Turntrans-96.76.2-178.9-63.4-173.277.200113.5I120 L124 P256 I287 M288 E289 I293I120-M291 HydrophobicContact CB-CE 4.45Å; I120-M291 HydrophobicContact CG1-CE 3.84Å; I120-M291 HydrophobicContact CG1-SD 4.03Å; I120-M291 HydrophobicContact CG2-CE 3.84Å; L124-M291 HydrophobicContact CD1-SD 4.08Å; P256-M291 HydrophobicContact CG-SD 4.47Å; I287-M291 HydrophobicContact CG2-CG 4.45Å; I287-M291 HydrophobicContact CG2-SD 3.9Å; I287-M291 WeakPolarHBondContact O-CB 3.49Å; I287-M291 VanDerWaalsContact O-CG 3.32Å; I287-M291 WeakPolarHBondContact O-CG 3.3Å; I287-M291 PolarHBondContact O-N 3.39Å; M288-M291 CarbonylContact O-C 3.57Å; M288-M291 PolarHBondContact O-N 3.26Å; E289-M291 PolarHBondContact O-N 3.43Å; M291-I293 VanDerWaalsContact C-N 3.29Å; M291-I293 HydrophobicContact CB-CD1 3.64Å; M291-I293 HydrophobicContact CB-CG1 4Å; M291-I293 PolarHBondContact O-N 3.05Å; M291-I293 HydrophobicContact SD-CD1 4.33Å
292N97.5Very high96.3Very high155 Ų15568.1 Ų68.183%0.82934%0.335SS*.THydrogen-bonded Turntrans53.640.8-175.5-60.8-52.3000113.7M288 E289M288-N292 PolarHBondContact O-N 3.31Å; E289-N292 PolarHBondContact O-N 3.19Å; E289-N292 VanDerWaalsContact O-N 3.14Å
293I98Very high95.8Very high19 Ų1966.3 Ų66.310%0.09733%0.327CS..  trans-97.4122.8176.8-62.7161.7000108.4I120 S121 L124 M288 M291I120-I293 HydrophobicContact CG2-CD1 4.4Å; S121-I293 WeakPolarHBondContact OG-CG2 3.46Å; L124-I293 HydrophobicContact CD1-CD1 3.65Å; M288-I293 HydrophobicContact CB-CB 4.11Å; M288-I293 HydrophobicContact CE-CG2 4.01Å; M288-I293 HydrophobicContact CG-CB 4.22Å; M288-I293 HydrophobicContact CG-CG2 4.2Å; M288-I293 PolarHBondContact O-N 2.98Å; M291-I293 VanDerWaalsContact C-N 3.29Å; M291-I293 HydrophobicContact CB-CD1 3.64Å; M291-I293 HydrophobicContact CB-CG1 4Å; M291-I293 PolarHBondContact O-N 3.05Å; M291-I293 HydrophobicContact SD-CD1 4.33Å
294A96.7Very high94.9Very high47 Ų4767.8 Ų67.839%0.38834%0.337SS..  trans-91147.3178.100000111.3R125 K296 D297R125-A294 WeakPolarHBondContact CD-O 3.31Å; A294-K296 PolarHBondContact O-N 3.43Å; A294-K296 VanDerWaalsContact O-N 3.14Å; A294-D297 PolarHBondContact N-OD2 3.3Å; A294-D297 WeakPolarHBondContact O-CB 3.32Å; A294-D297 PolarHBondContact O-N 3.27Å; A294-D297 VanDerWaalsContact O-N 3.09Å
295E93.6Very high93.3Very high128 Ų12872 Ų7260%0.59836%0.356SS*.THydrogen-bonded Turntrans-58-28.8176.3-68.4-174.9170.100112.8M288M288-E295 HydrophobicContact CE-CG 4.08Å
296K93.6Very high91.1Very high202 Ų20277.1 Ų77.188%0.87838%0.38SS*.THydrogen-bonded Turntrans-94.96-179.1-60.6-174.3-179.3-178.80114.2A294A294-K296 PolarHBondContact O-N 3.43Å; A294-K296 VanDerWaalsContact O-N 3.14Å
297D94.4Very high88.4Confident54 Ų5479.5 Ų79.529%0.28939%0.394SS..SBendtrans-58.5141.3173.8-75.6-18000109.9R125 A294 Y299R125-D297 PolarHBondContact NH1-O 3.02Å; A294-D297 PolarHBondContact N-OD2 3.3Å; A294-D297 WeakPolarHBondContact O-CB 3.32Å; A294-D297 PolarHBondContact O-N 3.27Å; A294-D297 VanDerWaalsContact O-N 3.09Å; D297-Y299 PolarHBondContact O-N 2.97Å
298P94.1Very high85.5Confident54 Ų5484.4 Ų84.435%0.35143%0.434SS..PPolyproline II helixtrans-63.2134.7175.424.4-31.8000110.5R125 E302 K303R125-P298 PolarHBondContact NH2-O 3.4Å; P298-E302 WeakPolarHBondContact CA-OE2 3.41Å; P298-E302 HydrophobicContact CB-CB 4.17Å; P298-K303 HydrophobicContact CB-CG 4.13Å; P298-K303 HydrophobicContact CG-CG 4.17Å; P298-K303 VanDerWaalsContact O-CE 3.3Å; P298-K303 WeakPolarHBondContact O-CE 3.39Å
299Y95.6Very high82.6Confident11 Ų1191 Ų914%0.04347%0.47CS..PPolyproline II helixtrans-61.7159.1165.4-71.4-73.3000111T122 R125 L126 D297 W301 E302 K303T122-Y299 HydrophobicContact CG2-CD1 3.8Å; T122-Y299 HydrophobicContact CG2-CE1 4.42Å; R125-Y299 HydrophobicContact CB-CE1 3.81Å; R125-Y299 VanDerWaalsContact NH1-CD2 3.35Å; L126-Y299 HydrophobicContact CD2-CE1 4.26Å; L126-Y299 HydrophobicContact CG-CE1 4.04Å; D297-Y299 PolarHBondContact O-N 2.97Å; Y299-W301 AromaticContact CD1-CH2 3.3Å; Y299-W301 HydrophobicContact CD1-CH2 3.3Å; Y299-W301 AromaticContact CD1-CZ2 3.56Å; Y299-W301 HydrophobicContact CD1-CZ2 3.56Å; Y299-W301 HydrophobicContact CD1-CZ3 4.01Å; Y299-W301 HydrophobicContact CD2-CH2 4.18Å; Y299-W301 AromaticContact CD2-CZ2 3.53Å; Y299-W301 HydrophobicContact CD2-CZ2 3.53Å; Y299-W301 AromaticContact CE1-CH2 3.88Å; Y299-W301 HydrophobicContact CE1-CH2 3.88Å; Y299-W301 HydrophobicContact CE1-CZ2 4.17Å; Y299-W301 HydrophobicContact CE2-CZ2 4.14Å; Y299-W301 HydrophobicContact CG-CD2 4.42Å; Y299-W301 AromaticContact CG-CE2 3.71Å; Y299-W301 AromaticContact CG-CH2 3.47Å; Y299-W301 HydrophobicContact CG-CH2 3.47Å; Y299-W301 VanDerWaalsContact CG-CH2 3.47Å; Y299-W301 AromaticContact CG-CZ2 3.19Å; Y299-W301 HydrophobicContact CG-CZ2 3.19Å; Y299-W301 HydrophobicContact CG-CZ3 4.2Å; Y299-W301 PolarHBondContact O-N 2.88Å; Y299-E302 PolarHBondContact N-OE2 3.08Å; Y299-E302 PolarHBondContact O-N 3.33Å; Y299-K303 PolarHBondContact O-N 2.71Å
300D95.3Very high79.6Confident22 Ų2293 Ų9312%0.11848%0.479CS..THydrogen-bonded Turntrans-64.2-26.7-175.9-58.8-44.1000113.3T113 F118 S119 T122 K303T113-D300 HydrophobicContact CG2-CB 4.42Å; F118-D300 VanDerWaalsContact CA-OD2 3.31Å; F118-D300 WeakPolarHBondContact CA-OD2 3.35Å; F118-D300 WeakPolarHBondContact CB-OD2 3.42Å; F118-D300 HydrophobicContact CD1-CB 4.14Å; S119-D300 WeakPolarHBondContact CB-OD1 3.42Å; S119-D300 PolarHBondContact N-OD2 3.26Å; S119-D300 VanDerWaalsContact OG-CG 3.31Å; S119-D300 PolarHBondContact OG-OD1 3.46Å; S119-D300 PolarHBondContact OG-OD2 3.26Å; S119-D300 VanDerWaalsContact OG-OD2 3.05Å; T122-D300 VanDerWaalsContact CB-OD2 3.26Å; T122-D300 WeakPolarHBondContact CB-OD2 3.5Å; T122-D300 PolarHBondContact OG1-N 3.23Å; T122-D300 VanDerWaalsContact OG1-N 3.16Å; T122-D300 PolarHBondContact OG1-OD1 3.11Å; T122-D300 PolarHBondContact OG1-OD2 3.48Å; D300-K303 IonicContact OD1-NZ 3.55Å; D300-K303 PolarHBondContact OD1-NZ 2.93Å
301W92.3Very high76.7Confident8 Ų895 Ų953%0.0349%0.494CS..THydrogen-bonded Turntrans-75.8-26.9174.854.885.4000113.4L106 L109 F118 T122 L126 I154 R161 Y299 K303 L304L106-W301 HydrophobicContact CD2-CH2 4.09Å; L106-W301 HydrophobicContact CD2-CZ3 4.27Å; L109-W301 HydrophobicContact CB-CE3 4.34Å; L109-W301 HydrophobicContact CD1-CD2 3.96Å; L109-W301 HydrophobicContact CD1-CE3 4.12Å; L109-W301 HydrophobicContact CD1-CG 4.3Å; L109-W301 HydrophobicContact CD2-CB 3.85Å; L109-W301 HydrophobicContact CD2-CG 4.07Å; F118-W301 HydrophobicContact CD1-CE3 4.41Å; F118-W301 HydrophobicContact CD1-CZ3 4.41Å; F118-W301 HydrophobicContact CD2-CZ3 4.49Å; F118-W301 AromaticContact CE1-CE3 3.71Å; F118-W301 HydrophobicContact CE1-CE3 3.71Å; F118-W301 AromaticContact CE1-CZ3 3.91Å; F118-W301 HydrophobicContact CE1-CZ3 3.91Å; F118-W301 HydrophobicContact CE2-CZ3 4Å; F118-W301 AromaticContact CZ-CE3 3.79Å; F118-W301 HydrophobicContact CZ-CE3 3.79Å; F118-W301 AromaticContact CZ-CZ3 3.69Å; F118-W301 HydrophobicContact CZ-CZ3 3.69Å; T122-W301 HydrophobicContact CG2-CH2 4.14Å; T122-W301 HydrophobicContact CG2-CZ3 3.68Å; L126-W301 HydrophobicContact CD1-CH2 4.23Å; L126-W301 HydrophobicContact CD1-CZ3 4.34Å; L126-W301 HydrophobicContact CD2-CH2 4.01Å; L126-W301 HydrophobicContact CG-CH2 4.3Å; I154-W301 HydrophobicContact CG2-CZ2 3.76Å; R161-W301 PolarHBondContact O-NE1 3.06Å; Y299-W301 AromaticContact CD1-CH2 3.3Å; Y299-W301 HydrophobicContact CD1-CH2 3.3Å; Y299-W301 AromaticContact CD1-CZ2 3.56Å; Y299-W301 HydrophobicContact CD1-CZ2 3.56Å; Y299-W301 HydrophobicContact CD1-CZ3 4.01Å; Y299-W301 HydrophobicContact CD2-CH2 4.18Å; Y299-W301 AromaticContact CD2-CZ2 3.53Å; Y299-W301 HydrophobicContact CD2-CZ2 3.53Å; Y299-W301 AromaticContact CE1-CH2 3.88Å; Y299-W301 HydrophobicContact CE1-CH2 3.88Å; Y299-W301 HydrophobicContact CE1-CZ2 4.17Å; Y299-W301 HydrophobicContact CE2-CZ2 4.14Å; Y299-W301 HydrophobicContact CG-CD2 4.42Å; Y299-W301 AromaticContact CG-CE2 3.71Å; Y299-W301 AromaticContact CG-CH2 3.47Å; Y299-W301 HydrophobicContact CG-CH2 3.47Å; Y299-W301 VanDerWaalsContact CG-CH2 3.47Å; Y299-W301 AromaticContact CG-CZ2 3.19Å; Y299-W301 HydrophobicContact CG-CZ2 3.19Å; Y299-W301 HydrophobicContact CG-CZ3 4.2Å; Y299-W301 PolarHBondContact O-N 2.88Å; W301-K303 VanDerWaalsContact C-N 3.34Å; W301-L304 PolarHBondContact O-N 2.96Å
302E90.7Very high73.6Confident49 Ų49100 Ų10023%0.22952%0.517CS..THydrogen-bonded Turntrans-72-33176.9-63.7174.113700110.6P298 Y299 L304 E305P298-E302 WeakPolarHBondContact CA-OE2 3.41Å; P298-E302 HydrophobicContact CB-CB 4.17Å; Y299-E302 PolarHBondContact N-OE2 3.08Å; Y299-E302 PolarHBondContact O-N 3.33Å; E302-L304 VanDerWaalsContact C-N 3.27Å; E302-L304 PolarHBondContact O-N 3.16Å; E302-E305 PolarHBondContact O-N 3.33Å
303K87.8Confident70.7Confident97 Ų97104.6 Ų104.642%0.42252%0.523SS..THydrogen-bonded Turntrans-68.1-23.7175.7-61172.2-169.8161.70113.6P298 Y299 D300 W301 E305P298-K303 HydrophobicContact CB-CG 4.13Å; P298-K303 HydrophobicContact CG-CG 4.17Å; P298-K303 VanDerWaalsContact O-CE 3.3Å; P298-K303 WeakPolarHBondContact O-CE 3.39Å; Y299-K303 PolarHBondContact O-N 2.71Å; D300-K303 IonicContact OD1-NZ 3.55Å; D300-K303 PolarHBondContact OD1-NZ 2.93Å; W301-K303 VanDerWaalsContact C-N 3.34Å; K303-E305 VanDerWaalsContact C-N 3.28Å
304L78.5Confident67.7Low103 Ų103108.8 Ų108.854%0.53955%0.554SS.*THydrogen-bonded Turntrans-77.8-17.6178.2-65.8174000112.3W301 E302W301-L304 PolarHBondContact O-N 2.96Å; E302-L304 VanDerWaalsContact C-N 3.27Å; E302-L304 PolarHBondContact O-N 3.16Å
305E65.5Low65Low91 Ų91112.6 Ų112.643%0.42557%0.574SS.*THydrogen-bonded Turntrans-100.7-9.5-173.9-64.2-179.3137.300113.2R161 E302 K303 P307R161-E305 IonicContact CZ-OE1 2.9Å; R161-E305 IonicContact CZ-OE2 2.99Å; R161-E305 IonicContact NE-OE1 3.59Å; R161-E305 IonicContact NE-OE2 3Å; R161-E305 IonicContact NH1-OE1 2.92Å; R161-E305 PolarHBondContact NH1-OE1 3Å; R161-E305 IonicContact NH1-OE2 2.58Å; R161-E305 PolarHBondContact NH1-OE2 2.75Å; R161-E305 IonicContact NH2-OE1 2.59Å; R161-E305 PolarHBondContact NH2-OE1 3.17Å; R161-E305 IonicContact NH2-OE2 3.14Å; E302-E305 PolarHBondContact O-N 3.33Å; K303-E305 VanDerWaalsContact C-N 3.28Å; E305-P307 WeakPolarHBondContact O-CD 3.42Å
306E51.4Low62.5Low146 Ų146115.5 Ų115.568%0.68259%0.585SS**SBendtrans-62.1121.6168.9-72.9-170.3171.700109.2A308E306-A308 PolarHBondContact O-N 3.38Å; E306-A308 VanDerWaalsContact O-N 3.12Å
307P40.9Very low59.8Low112 Ų112110.2 Ų110.273%0.72758%0.579SS**  trans-59.7124173.723.6-30000107E305 N309E305-P307 WeakPolarHBondContact O-CD 3.42Å; P307-N309 VanDerWaalsContact C-N 3.34Å; P307-N309 PolarHBondContact O-N 3.42Å
308A38.1Very low57.3Low102 Ų102114.6 Ų114.684%0.84360%0.602SS**  trans-46103.317200000108.1E306 Q310E306-A308 PolarHBondContact O-N 3.38Å; E306-A308 VanDerWaalsContact O-N 3.12Å; A308-Q310 PolarHBondContact O-N 3.08Å
309N38.1Very low54.7Low144 Ų144120.7 Ų120.777%0.7763%0.626SS**  trans-70.7101.8-171.6-148.97.6000106.5P307 Q311P307-N309 VanDerWaalsContact C-N 3.34Å; P307-N309 PolarHBondContact O-N 3.42Å; N309-Q311 PolarHBondContact O-N 3.12Å
310Q35Very low52.1Low186 Ų186129.1 Ų129.187%0.86967%0.666SS**  trans2.582.1158-61.9174.57.600114.3A308A308-Q310 PolarHBondContact O-N 3.08Å
311Q35.2Very low49.5Very low182 Ų182137.1 Ų137.185%0.8570%0.702SS**  trans-120.8121.8155.7-82.3178.3-17.800106.6N309N309-Q311 PolarHBondContact O-N 3.12Å
312E34.4Very low46.7Very low187 Ų187145.6 Ų145.687%0.87474%0.742SS**SBendtrans81.983.5171.2-54-175.2171.500117.9
313R35.7Very low44.5Very low253 Ų253149.8 Ų149.896%0.95577%0.771SS**  -168.391.3125-100.1167.7-166.9-155.83.6109.3
314S35.9Very low41.8Very low107 Ų107149.3 Ų149.375%0.74879%0.785SS**  trans-56.7137.7164.741.20000110.5K316S314-K316 PolarHBondContact O-N 3.27Å
315P38.3Very low39.7Very low126 Ų126155.8 Ų155.882%0.81882%0.82SS**  trans-73.7119.1175.829.6-30000108.8A317P315-A317 PolarHBondContact O-N 3.1Å
316K42.6Very low38.4Very low190 Ų190159 Ų15983%0.82684%0.84SS**  trans-71.5107160.3-80.7-170173-170.90107.2S314S314-K316 PolarHBondContact O-N 3.27Å
317A36.5Very low37.7Very low90 Ų90159.7 Ų159.774%0.74485%0.848SS**  trans-68.8119.6151.300000106.6P315P315-A317 PolarHBondContact O-N 3.1Å
318D42.4Very low37.5Very low146 Ų146162.3 Ų162.378%0.78186%0.855SS**  trans-133.9114.1153.9-86.4-39.3000106.4
319E37.7Very low37.5Very low183 Ų183165.9 Ų165.986%0.85586%0.856SS**  trans-58.5139.9169.3-62.1164.2146.500109.8
320Q41.2Very low37.4Very low188 Ų188167.3 Ų167.388%0.87986%0.861SS**  trans-168.999.6139.1-104.2162.826.700111.3
321E40.5Very low37.6Very low189 Ų189166 Ų16688%0.88386%0.861SS**  trans22.1114.5144.1-70.6173.7145.800119.6
322Q34.7Very low37.8Very low186 Ų186164.9 Ų164.987%0.86986%0.861SS**  trans-66.3136.7138.4-69.1173.6-15.300108.6
323V43.2Very low38Very low137 Ų137163.2 Ų163.283%0.8386%0.86SS**  -166.6129.8116.5170.30000108.2
324A32.1Very low38.2Very low87 Ų87155.7 Ų155.772%0.71985%0.853SS**  trans-80.9147.7166.900000110.6
325N33.6Very low38.4Very low239 Ų239160.1 Ų160.1100%1.27886%0.862SS**  trans900-176.3-69.2-14.4000117

Retrieved 325 of 325 residues in 767.9 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).