A0A077Z7X7_TRITR Loading...

Palmitoyltransferase

AlphaFold DB , UniProt , Accession A0A077Z7X7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 314 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.2Very low67.7Low235 Ų235134.1 Ų134.1100%1.15869%0.685SS**  0101.40-69.5168.960.600107.2V3M1-V3 PolarHBondContact O-N 3.02Å
2A42.4Very low70Confident103 Ų103128.8 Ų128.885%0.85165%0.65SS**  trans-66115177.400000107.8E4A2-E4 PolarHBondContact O-N 3.21Å
3V51.8Low71.8Confident136 Ų136126.6 Ų126.682%0.82464%0.636SS**  trans-67.894.2165.61780000105.1M1 S5M1-V3 PolarHBondContact O-N 3.02Å; V3-S5 VanDerWaalsContact C-N 3.29Å; V3-S5 PolarHBondContact O-N 3.3Å
4E53.6Low73.3Confident177 Ų177121.9 Ų121.983%0.82762%0.617SS**  trans-58.6101.1164.8-169.4125.6-15500105.7A2 L6A2-E4 PolarHBondContact O-N 3.21Å; E4-L6 PolarHBondContact O-N 3.5Å
5S54.1Low74.7Confident86 Ų86116.3 Ų116.360%0.60159%0.587SS**  trans-58.3111.1174.358.60000106V3 K7V3-S5 VanDerWaalsContact C-N 3.29Å; V3-S5 PolarHBondContact O-N 3.3Å; S5-K7 PolarHBondContact O-N 3.38Å
6L64Low75.9Confident151 Ų151117.3 Ų117.379%0.79159%0.589SS**  trans-57.595.1173.6-81.7160.3000106.4E4 R8E4-L6 PolarHBondContact O-N 3.5Å; L6-R8 PolarHBondContact O-N 3.25Å
7K72.9Confident77Confident182 Ų182110.9 Ų110.979%0.79156%0.56SS**  trans-59112.7178.2-78.2-177179.4175.20106.2S5 K9S5-K7 PolarHBondContact O-N 3.38Å; K7-K9 PolarHBondContact O-N 3.16Å; K7-K9 VanDerWaalsContact O-N 3.11Å
8R86.4Confident78Confident181 Ų181110.6 Ų110.668%0.68356%0.556SS**PPolyproline II helixtrans-52.1120.8177.1-68.5-176.9176.6174.9-0.6108.5L6 Y301L6-R8 PolarHBondContact O-N 3.25Å; R8-Y301 HydrophobicContact CB-CD1 3.48Å; R8-Y301 VanDerWaalsContact CB-CD1 3.48Å; R8-Y301 HydrophobicContact CB-CE1 3.88Å; R8-Y301 HydrophobicContact CB-CG 4.29Å
9K91.4Very high79Confident132 Ų132105.5 Ų105.557%0.57453%0.531SS*.PPolyproline II helixtrans-77.9148.4176.6-64.7-175-179179.40109.7K7 V14 V302K7-K9 PolarHBondContact O-N 3.16Å; K7-K9 VanDerWaalsContact O-N 3.11Å; K9-V14 HydrophobicContact CB-CG1 3.96Å; K9-V14 HydrophobicContact CD-CG1 3.6Å; K9-V14 HydrophobicContact CG-CG1 4.42Å; K9-V302 HydrophobicContact CB-CG2 4.36Å; K9-V302 WeakPolarHBondContact O-CG2 3.29Å; K9-V302 PolarHBondContact O-N 2.96Å
10R93Very high79.8Confident55 Ų55104.9 Ų104.921%0.20853%0.525CS..BIsolated β-bridgetrans-90.8155.8170.5-64.9-174.2177.7-154.315.5110.7W12 Q13 D24 A300 Y301R10-W12 VanDerWaalsContact C-N 3.26Å; R10-W12 HydrophobicContact CB-CG 4.45Å; R10-W12 PolarHBondContact O-N 3.31Å; R10-Q13 HydrophobicContact CB-CG 4.32Å; R10-Q13 WeakPolarHBondContact O-CB 3.48Å; R10-Q13 PolarHBondContact O-N 3.09Å; R10-D24 WeakPolarHBondContact CD-OD1 3.4Å; R10-D24 IonicContact CZ-OD1 3.54Å; R10-D24 IonicContact CZ-OD2 3.43Å; R10-D24 VanDerWaalsContact CZ-OD2 3.3Å; R10-D24 IonicContact NE-OD1 3.64Å; R10-D24 VanDerWaalsContact NH1-CG 3.28Å; R10-D24 IonicContact NH1-OD1 2.69Å; R10-D24 PolarHBondContact NH1-OD1 2.89Å; R10-D24 IonicContact NH1-OD2 3.54Å; R10-D24 PolarHBondContact NH1-OD2 3.01Å; R10-D24 IonicContact NH2-OD2 3.79Å; R10-A300 VanDerWaalsContact CA-O 3.29Å; R10-A300 WeakPolarHBondContact CA-O 3.41Å; R10-Y301 HydrophobicContact CG-CD1 4.19Å; R10-Y301 HydrophobicContact CG-CE1 4.21Å
11V93.4Very high80.5Confident37 Ų37101.2 Ų101.222%0.22451%0.506CS..G310 helixtrans-54.4-42.2-178.5173.80000111.7Q13 V14 H15 I296 F298 A300 V302V11-Q13 PolarHBondContact O-N 3.39Å; V11-V14 CarbonylContact O-C 3.14Å; V11-V14 PolarHBondContact O-N 2.84Å; V11-V14 VanDerWaalsContact O-N 3.15Å; V11-H15 PolarHBondContact O-N 3.44Å; V11-I296 HydrophobicContact CG1-CG2 3.75Å; V11-F298 HydrophobicContact CG1-CD1 4.22Å; V11-A300 HydrophobicContact CG2-CB 4.29Å; V11-A300 PolarHBondContact N-O 3.42Å; V11-V302 HydrophobicContact CG2-CG2 4.47Å
12W94.5Very high83Confident71 Ų7194.7 Ų94.727%0.26947%0.471SS..G310 helixtrans-60.8-28.2177.573.9-101.4000114.2R10 V14 F21 D24 F298R10-W12 VanDerWaalsContact C-N 3.26Å; R10-W12 HydrophobicContact CB-CG 4.45Å; R10-W12 PolarHBondContact O-N 3.31Å; W12-V14 VanDerWaalsContact C-N 3.34Å; W12-F21 HydrophobicContact CB-CB 4.27Å; W12-F21 HydrophobicContact CB-CD1 3.83Å; W12-F21 HydrophobicContact CB-CD2 4.36Å; W12-F21 HydrophobicContact CB-CE1 4.25Å; W12-F21 HydrophobicContact CB-CG 3.89Å; W12-F21 HydrophobicContact CD2-CB 4.42Å; W12-F21 HydrophobicContact CE3-CB 3.86Å; W12-F21 HydrophobicContact CE3-CG 4.47Å; W12-D24 PolarHBondContact NE1-OD1 3.37Å; W12-F298 HydrophobicContact CB-CB 4.09Å; W12-F298 WeakPolarHBondContact CB-O 3.39Å; W12-F298 VanDerWaalsContact CD1-O 3.23Å; W12-F298 PolarHBondContact N-O 3.31Å
13Q94Very high85.5Confident100 Ų10094 Ų9447%0.46746%0.459SS..G310 helixtrans-79.8-19.3-178.8-59.5179.4-58.100112.7R10 V11R10-Q13 HydrophobicContact CB-CG 4.32Å; R10-Q13 WeakPolarHBondContact O-CB 3.48Å; R10-Q13 PolarHBondContact O-N 3.09Å; V11-Q13 PolarHBondContact O-N 3.39Å
14V92.9Very high87.5Confident61 Ų6190.3 Ų90.337%0.3744%0.435SS..SBendtrans-118.311.7180-59.20000112.1K9 V11 W12 Q16 V302K9-V14 HydrophobicContact CB-CG1 3.96Å; K9-V14 HydrophobicContact CD-CG1 3.6Å; K9-V14 HydrophobicContact CG-CG1 4.42Å; V11-V14 CarbonylContact O-C 3.14Å; V11-V14 PolarHBondContact O-N 2.84Å; V11-V14 VanDerWaalsContact O-N 3.15Å; W12-V14 VanDerWaalsContact C-N 3.34Å; V14-Q16 PolarHBondContact O-N 2.99Å; V14-V302 HydrophobicContact CG1-CG2 4.44Å; V14-V302 HydrophobicContact CG2-CG2 3.37Å
15H94Very high89.3Confident37 Ų3782.2 Ų82.217%0.17140%0.398CS..  trans-60124.8178.3-174.764.9000109.7V11 N19 F21 N158 F298V11-H15 PolarHBondContact O-N 3.44Å; H15-N19 PolarHBondContact NE2-OD1 3.48Å; H15-F21 HydrophobicContact CB-CE2 3.61Å; H15-F21 HydrophobicContact CB-CZ 3.89Å; H15-F21 AromaticContact CD2-CE2 3.45Å; H15-F21 VanDerWaalsContact CD2-CE2 3.45Å; H15-F21 WeakPolarHBondContact CD2-CE2 3.43Å; H15-F21 AromaticContact CD2-CZ 3.52Å; H15-F21 AromaticContact CG-CE2 3.67Å; H15-F21 AromaticContact CG-CZ 3.63Å; H15-N158 PolarHBondContact NE2-ND2 2.8Å; H15-F298 AromaticContact ND1-CE1 3.86Å
16Q93.5Very high91.2Very high133 Ų13385.9 Ų85.962%0.62140%0.399SS*.  trans-81.2-19.4-171.7-66.1-178.61.700113.9V14V14-Q16 PolarHBondContact O-N 2.99Å
17G94.5Very high92.7Very high9 Ų979.3 Ų79.39%0.09337%0.365CS..SBendtrans-82.3173.7178.300000112.7N19 D157 N158G17-N19 PolarHBondContact O-N 3.43Å; G17-N19 VanDerWaalsContact O-N 3.16Å; G17-D157 WeakPolarHBondContact CA-O 3.19Å; G17-N158 WeakPolarHBondContact CA-ND2 3.45Å
18Q96Very high93.8Very high105 Ų10570.8 Ų70.849%0.49133%0.328SS..SBendtrans-84.417.3-172.2-62.4-70.2-12.200113.5N31 V155 C156 D157Q18-N31 HydrophobicContact CB-CB 4.39Å; Q18-N31 WeakPolarHBondContact CB-ND2 3.27Å; Q18-N31 VanDerWaalsContact O-CB 3.27Å; Q18-N31 WeakPolarHBondContact O-CB 3.49Å; Q18-N31 PolarHBondContact O-N 2.62Å; Q18-V155 WeakPolarHBondContact CB-O 3.45Å; Q18-C156 PolarHBondContact N-O 3.41Å; Q18-D157 HydrophobicContact CB-CB 4.24Å; Q18-D157 HydrophobicContact CG-CB 3.65Å
19N96Very high94.2Very high14 Ų1462.2 Ų62.28%0.07530%0.296CS..  trans-70145.2177.4-71.399.6000111.4H15 G17 F21 V28 T29 I91 N158H15-N19 PolarHBondContact NE2-OD1 3.48Å; G17-N19 PolarHBondContact O-N 3.43Å; G17-N19 VanDerWaalsContact O-N 3.16Å; N19-F21 HydrophobicContact CB-CE2 3.87Å; N19-F21 HydrophobicContact CB-CZ 4.02Å; N19-V28 HydrophobicContact CB-CG1 4.08Å; N19-T29 CarbonylContact C-O 3.59Å; N19-T29 WeakPolarHBondContact CA-O 3.22Å; N19-T29 WeakPolarHBondContact CB-O 3.31Å; N19-T29 PolarHBondContact ND2-O 3.2Å; N19-I91 WeakPolarHBondContact OD1-CD1 3.41Å; N19-N158 PolarHBondContact OD1-ND2 3.34Å
20K95.2Very high94.3Very high93 Ų9355.9 Ų55.940%0.40427%0.268SS..EExtended strand (participates in β ladder)trans-95.4136.9168.7-71.9176.1175.7164.30109.4F22 T29 N31 L33K20-F22 HydrophobicContact CB-CE2 3.84Å; K20-F22 HydrophobicContact CB-CZ 4.25Å; K20-T29 HydrophobicContact CB-CG2 3.88Å; K20-T29 PolarHBondContact N-O 3.48Å; K20-T29 PolarHBondContact O-N 2.6Å; K20-N31 PolarHBondContact NZ-O 3.2Å; K20-L33 HydrophobicContact CD-CD1 4.35Å
21F95.8Very high94.3Very high28 Ų2855.9 Ų55.912%0.12327%0.272CS..EExtended strand (participates in β ladder)trans-115.8137.5178.9-64-90000110.6W12 H15 N19 V27 V28 F298W12-F21 HydrophobicContact CB-CB 4.27Å; W12-F21 HydrophobicContact CB-CD1 3.83Å; W12-F21 HydrophobicContact CB-CD2 4.36Å; W12-F21 HydrophobicContact CB-CE1 4.25Å; W12-F21 HydrophobicContact CB-CG 3.89Å; W12-F21 HydrophobicContact CD2-CB 4.42Å; W12-F21 HydrophobicContact CE3-CB 3.86Å; W12-F21 HydrophobicContact CE3-CG 4.47Å; H15-F21 HydrophobicContact CB-CE2 3.61Å; H15-F21 HydrophobicContact CB-CZ 3.89Å; H15-F21 AromaticContact CD2-CE2 3.45Å; H15-F21 VanDerWaalsContact CD2-CE2 3.45Å; H15-F21 WeakPolarHBondContact CD2-CE2 3.43Å; H15-F21 AromaticContact CD2-CZ 3.52Å; H15-F21 AromaticContact CG-CE2 3.67Å; H15-F21 AromaticContact CG-CZ 3.63Å; N19-F21 HydrophobicContact CB-CE2 3.87Å; N19-F21 HydrophobicContact CB-CZ 4.02Å; F21-V27 VanDerWaalsContact CA-O 3.29Å; F21-V27 WeakPolarHBondContact CA-O 3.31Å; F21-V28 HydrophobicContact CD1-CB 4.44Å; F21-V28 HydrophobicContact CD1-CG1 4.3Å; F21-V28 HydrophobicContact CD1-CG2 3.8Å; F21-V28 HydrophobicContact CE1-CB 4.25Å; F21-V28 HydrophobicContact CE1-CG1 3.77Å; F21-V28 HydrophobicContact CE1-CG2 3.63Å; F21-V28 HydrophobicContact CZ-CG1 4.18Å; F21-F298 HydrophobicContact CD1-CD1 4.39Å; F21-F298 HydrophobicContact CD1-CG 4.41Å; F21-F298 HydrophobicContact CE1-CB 4.38Å; F21-F298 AromaticContact CE1-CD1 3.39Å; F21-F298 HydrophobicContact CE1-CD1 3.39Å; F21-F298 HydrophobicContact CE1-CD2 4.06Å; F21-F298 AromaticContact CE1-CE1 3.55Å; F21-F298 HydrophobicContact CE1-CE1 3.55Å; F21-F298 HydrophobicContact CE1-CE2 4.2Å; F21-F298 AromaticContact CE1-CG 3.67Å; F21-F298 HydrophobicContact CE1-CG 3.67Å; F21-F298 AromaticContact CE1-CZ 3.96Å; F21-F298 HydrophobicContact CE1-CZ 3.96Å; F21-F298 AromaticContact CZ-CD1 3.74Å; F21-F298 HydrophobicContact CZ-CD1 3.74Å; F21-F298 AromaticContact CZ-CE1 3.57Å; F21-F298 HydrophobicContact CZ-CE1 3.57Å; F21-F298 HydrophobicContact CZ-CG 4.46Å; F21-F298 HydrophobicContact CZ-CZ 4.16Å
22F94.7Very high94.1Very high98 Ų9856.1 Ų56.143%0.4328%0.275SS..EExtended strand (participates in β ladder)trans-130.7167.1174.3-54-94.6000110.4K20 D24 G25 R26 V27 T29K20-F22 HydrophobicContact CB-CE2 3.84Å; K20-F22 HydrophobicContact CB-CZ 4.25Å; F22-D24 VanDerWaalsContact C-N 3.35Å; F22-D24 PolarHBondContact O-N 2.87Å; F22-G25 PolarHBondContact O-N 3.4Å; F22-R26 PolarHBondContact O-N 2.97Å; F22-V27 HydrophobicContact CB-CB 4Å; F22-V27 HydrophobicContact CB-CG1 4.21Å; F22-V27 HydrophobicContact CD2-CG1 3.99Å; F22-V27 PolarHBondContact N-O 2.95Å; F22-V27 PolarHBondContact O-N 3.31Å; F22-V27 VanDerWaalsContact O-N 3.16Å; F22-T29 HydrophobicContact CD2-CG2 4.38Å; F22-T29 HydrophobicContact CE2-CG2 3.76Å
23C94.5Very high94Very high89 Ų8954.8 Ų54.860%0.60127%0.274SS*.THydrogen-bonded Turntrans52.947.4176.3-58.90000113.3G25 R26 V27C23-G25 PolarHBondContact O-N 3.49Å; C23-R26 HydrophobicContact CB-CB 4.15Å; C23-R26 WeakPolarHBondContact O-CB 3.48Å; C23-R26 VanDerWaalsContact O-CG 3.28Å; C23-R26 WeakPolarHBondContact O-CG 3.47Å; C23-R26 PolarHBondContact O-N 3.31Å; C23-V27 HydrophobicContact CB-CG2 4.46Å
24D93.3Very high93.7Very high58 Ų5854.3 Ų54.331%0.3128%0.281SS..THydrogen-bonded Turntrans56.947-179.2-177.838.6000112.5R10 W12 F22 R26 R299R10-D24 WeakPolarHBondContact CD-OD1 3.4Å; R10-D24 IonicContact CZ-OD1 3.54Å; R10-D24 IonicContact CZ-OD2 3.43Å; R10-D24 VanDerWaalsContact CZ-OD2 3.3Å; R10-D24 IonicContact NE-OD1 3.64Å; R10-D24 VanDerWaalsContact NH1-CG 3.28Å; R10-D24 IonicContact NH1-OD1 2.69Å; R10-D24 PolarHBondContact NH1-OD1 2.89Å; R10-D24 IonicContact NH1-OD2 3.54Å; R10-D24 PolarHBondContact NH1-OD2 3.01Å; R10-D24 IonicContact NH2-OD2 3.79Å; W12-D24 PolarHBondContact NE1-OD1 3.37Å; F22-D24 VanDerWaalsContact C-N 3.35Å; F22-D24 PolarHBondContact O-N 2.87Å; D24-R26 VanDerWaalsContact C-N 3.33Å; D24-R26 PolarHBondContact O-N 2.85Å; D24-R299 VanDerWaalsContact O-CG 3.31Å; D24-R299 WeakPolarHBondContact O-CG 3.39Å; D24-R299 IonicContact OD2-NE 3.49Å
25G91.4Very high93.8Very high6 Ų653.3 Ų53.36%0.06228%0.275CS..THydrogen-bonded Turntrans78.87.8176.700000115.5F22 C23F22-G25 PolarHBondContact O-N 3.4Å; C23-G25 PolarHBondContact O-N 3.49Å
26R93.3Very high93.9Very high164 Ų16451.9 Ų51.962%0.61927%0.269SS*.THydrogen-bonded Turntrans-78.5-28.4177.6-68.8177.1-177.5-113.96.2113.6F22 C23 D24F22-R26 PolarHBondContact O-N 2.97Å; C23-R26 HydrophobicContact CB-CB 4.15Å; C23-R26 WeakPolarHBondContact O-CB 3.48Å; C23-R26 VanDerWaalsContact O-CG 3.28Å; C23-R26 WeakPolarHBondContact O-CG 3.47Å; C23-R26 PolarHBondContact O-N 3.31Å; D24-R26 VanDerWaalsContact C-N 3.33Å; D24-R26 PolarHBondContact O-N 2.85Å
27V95.5Very high94Very high12 Ų1248.7 Ų48.77%0.07326%0.26CS..EExtended strand (participates in β ladder)trans-111.5126.3179.8168.60000108F21 F22 C23 F86F21-V27 VanDerWaalsContact CA-O 3.29Å; F21-V27 WeakPolarHBondContact CA-O 3.31Å; F22-V27 HydrophobicContact CB-CB 4Å; F22-V27 HydrophobicContact CB-CG1 4.21Å; F22-V27 HydrophobicContact CD2-CG1 3.99Å; F22-V27 PolarHBondContact N-O 2.95Å; F22-V27 PolarHBondContact O-N 3.31Å; F22-V27 VanDerWaalsContact O-N 3.16Å; C23-V27 HydrophobicContact CB-CG2 4.46Å; V27-F86 WeakPolarHBondContact CA-O 3.36Å; V27-F86 HydrophobicContact CG1-CB 3.75Å; V27-F86 HydrophobicContact CG1-CD1 3.56Å; V27-F86 HydrophobicContact CG1-CG 3.99Å
28V95.8Very high94.1Very high4 Ų451.7 Ų51.72%0.02428%0.276CS..EExtended strand (participates in β ladder)trans-123131.1179.8-169.80000108.3N19 F21 F86 I91 F298N19-V28 HydrophobicContact CB-CG1 4.08Å; F21-V28 HydrophobicContact CD1-CB 4.44Å; F21-V28 HydrophobicContact CD1-CG1 4.3Å; F21-V28 HydrophobicContact CD1-CG2 3.8Å; F21-V28 HydrophobicContact CE1-CB 4.25Å; F21-V28 HydrophobicContact CE1-CG1 3.77Å; F21-V28 HydrophobicContact CE1-CG2 3.63Å; F21-V28 HydrophobicContact CZ-CG1 4.18Å; V28-F86 PolarHBondContact N-O 3.21Å; V28-F86 VanDerWaalsContact N-O 3.1Å; V28-F86 CarbonylContact O-C 3.53Å; V28-F86 WeakPolarHBondContact O-CA 3.44Å; V28-I91 HydrophobicContact CG1-CD1 4.07Å; V28-F298 HydrophobicContact CG2-CD2 3.93Å; V28-F298 HydrophobicContact CG2-CE2 3.93Å
29T95.6Very high94.2Very high0 Ų047.2 Ų47.20%026%0.256CS..EExtended strand (participates in β ladder)trans-148.9174.7178.7-166.20000110.6N19 K20 F22 L33 A85 G171N19-T29 CarbonylContact C-O 3.59Å; N19-T29 WeakPolarHBondContact CA-O 3.22Å; N19-T29 WeakPolarHBondContact CB-O 3.31Å; N19-T29 PolarHBondContact ND2-O 3.2Å; K20-T29 HydrophobicContact CB-CG2 3.88Å; K20-T29 PolarHBondContact N-O 3.48Å; K20-T29 PolarHBondContact O-N 2.6Å; F22-T29 HydrophobicContact CD2-CG2 4.38Å; F22-T29 HydrophobicContact CE2-CG2 3.76Å; T29-L33 HydrophobicContact CG2-CD1 4.03Å; T29-L33 HydrophobicContact CG2-CD2 3.96Å; T29-L33 HydrophobicContact CG2-CG 4.33Å; T29-L33 VanDerWaalsContact OG1-CD2 3.22Å; T29-L33 WeakPolarHBondContact OG1-CD2 3.47Å; T29-A85 PolarHBondContact OG1-O 3.34Å; T29-G171 PolarHBondContact OG1-O 2.77Å
30S94.1Very high94.3Very high0 Ų049.1 Ų49.10%027%0.266CS..  trans-72.5165.6176.6-1750000112.1S32 H166 G171S30-S32 PolarHBondContact O-N 2.65Å; S30-S32 PolarHBondContact OG-N 3.36Å; S30-S32 VanDerWaalsContact OG-N 3.12Å; S30-H166 PolarHBondContact OG-CE1 3Å; S30-G171 WeakPolarHBondContact CA-O 3.4Å; S30-G171 WeakPolarHBondContact CB-O 3.42Å; S30-G171 PolarHBondContact N-O 2.7Å
31N92.2Very high94.3Very high55 Ų5550.2 Ų50.229%0.29427%0.273SS..SBendtrans-64.7-29.5162.456.57.6000112.3Q18 K20 L33 V155Q18-N31 HydrophobicContact CB-CB 4.39Å; Q18-N31 WeakPolarHBondContact CB-ND2 3.27Å; Q18-N31 VanDerWaalsContact O-CB 3.27Å; Q18-N31 WeakPolarHBondContact O-CB 3.49Å; Q18-N31 PolarHBondContact O-N 2.62Å; K20-N31 PolarHBondContact NZ-O 3.2Å; N31-L33 PolarHBondContact O-N 3.12Å; N31-V155 PolarHBondContact ND2-O 2.52Å; N31-V155 WeakPolarHBondContact OD1-CG1 3.26Å; N31-V155 PolarHBondContact OD1-O 3.48Å
32S89.8Confident94.4Very high41 Ų4152.1 Ų52.129%0.28728%0.284SS..  trans-96.490.2-174.2-173.30000111.5S30 G171S30-S32 PolarHBondContact O-N 2.65Å; S30-S32 PolarHBondContact OG-N 3.36Å; S30-S32 VanDerWaalsContact OG-N 3.12Å; S32-G171 WeakPolarHBondContact O-CA 3.33Å
33L91.2Very high94.5Very high44 Ų4448.4 Ų48.423%0.2327%0.269CS..  trans-102.79.3179.5-71.3173.7000113.2K20 T29 N31 T35 L36 P37K20-L33 HydrophobicContact CD-CD1 4.35Å; T29-L33 HydrophobicContact CG2-CD1 4.03Å; T29-L33 HydrophobicContact CG2-CD2 3.96Å; T29-L33 HydrophobicContact CG2-CG 4.33Å; T29-L33 VanDerWaalsContact OG1-CD2 3.22Å; T29-L33 WeakPolarHBondContact OG1-CD2 3.47Å; N31-L33 PolarHBondContact O-N 3.12Å; L33-T35 VanDerWaalsContact C-N 3.3Å; L33-T35 PolarHBondContact O-N 2.84Å; L33-L36 HydrophobicContact CD2-CD2 3.91Å; L33-L36 PolarHBondContact O-N 3.07Å; L33-P37 WeakPolarHBondContact O-CD 3.46Å
34S89Confident94.6Very high90 Ų9048.8 Ų48.863%0.62927%0.265SS*.SBendtrans-60.3-34.7-166.851.50000114.5
35T94.4Very high94.8Very high39 Ų3949.1 Ų49.124%0.23927%0.268CS..SBendtrans-97.5-16.1-17638.90000114.2L33 V38 T39 P168L33-T35 VanDerWaalsContact C-N 3.3Å; L33-T35 PolarHBondContact O-N 2.84Å; T35-V38 WeakPolarHBondContact O-CB 3.31Å; T35-V38 PolarHBondContact O-N 2.93Å; T35-V38 VanDerWaalsContact O-N 3.1Å; T35-T39 PolarHBondContact O-N 3.44Å; T35-T39 PolarHBondContact O-OG1 3.23Å; T35-P168 VanDerWaalsContact OG1-CB 3.31Å; T35-P168 WeakPolarHBondContact OG1-CB 3.29Å; T35-P168 PolarHBondContact OG1-O 3.22Å
36L96.2Very high95.1Very high7 Ų749.7 Ų49.74%0.03727%0.271CS..Hα-helixtrans-60.2-43.6177.6173.565.7000113L33 V38 T39 I40 L81 A85 F86 W169L33-L36 HydrophobicContact CD2-CD2 3.91Å; L33-L36 PolarHBondContact O-N 3.07Å; L36-V38 PolarHBondContact O-N 3.49Å; L36-T39 WeakPolarHBondContact O-CB 3.24Å; L36-T39 PolarHBondContact O-N 2.86Å; L36-T39 VanDerWaalsContact O-N 3.17Å; L36-I40 HydrophobicContact CD1-CD1 4.05Å; L36-I40 HydrophobicContact CD1-CG1 4.24Å; L36-I40 HydrophobicContact CG-CD1 3.94Å; L36-I40 WeakPolarHBondContact O-CG1 3.46Å; L36-I40 PolarHBondContact O-N 3.09Å; L36-L81 HydrophobicContact CD1-CD1 4.17Å; L36-A85 HydrophobicContact CD1-CB 4.14Å; L36-A85 HydrophobicContact CD2-CB 4.23Å; L36-F86 HydrophobicContact CD2-CE1 4.08Å; L36-F86 HydrophobicContact CD2-CE2 4.36Å; L36-F86 HydrophobicContact CD2-CZ 3.64Å; L36-W169 WeakPolarHBondContact CA-O 3.19Å
37P96.8Very high95.4Very high67 Ų6742.3 Ų42.344%0.43524%0.244SC..Hα-helixtrans-57.3-35.3173.4-27.535.1000113.1L33 I40 M41L33-P37 WeakPolarHBondContact O-CD 3.46Å; P37-I40 PolarHBondContact O-N 3.09Å; P37-M41 WeakPolarHBondContact O-CB 3.27Å; P37-M41 WeakPolarHBondContact O-CG 3.35Å; P37-M41 PolarHBondContact O-N 3.18Å
38V96.4Very high95.5Very high71 Ų7145 Ų4543%0.4326%0.26SS..Hα-helixtrans-64.7-46.1177.3-177.30000110.3T35 L36 I40 M41 L42 W169T35-V38 WeakPolarHBondContact O-CB 3.31Å; T35-V38 PolarHBondContact O-N 2.93Å; T35-V38 VanDerWaalsContact O-N 3.1Å; L36-V38 PolarHBondContact O-N 3.49Å; V38-I40 VanDerWaalsContact C-N 3.35Å; V38-I40 PolarHBondContact O-N 2.91Å; V38-M41 PolarHBondContact O-N 3.25Å; V38-L42 HydrophobicContact CG1-CD1 3.98Å; V38-L42 HydrophobicContact CG1-CG 4.32Å; V38-L42 WeakPolarHBondContact O-CB 3.28Å; V38-L42 VanDerWaalsContact O-CG 3.29Å; V38-L42 WeakPolarHBondContact O-CG 3.43Å; V38-L42 PolarHBondContact O-N 3.08Å; V38-W169 HydrophobicContact CG1-CZ3 4.34Å
39T96.9Very high95.6Very high12 Ų1247.1 Ų47.17%0.07427%0.269CS..Hα-helixtrans-55.5-49.1174.1-510000111.5T35 L36 L42 I43 L81 W169 F185T35-T39 PolarHBondContact O-N 3.44Å; T35-T39 PolarHBondContact O-OG1 3.23Å; L36-T39 WeakPolarHBondContact O-CB 3.24Å; L36-T39 PolarHBondContact O-N 2.86Å; L36-T39 VanDerWaalsContact O-N 3.17Å; T39-L42 PolarHBondContact O-N 3.33Å; T39-I43 HydrophobicContact CG2-CD1 4.11Å; T39-I43 WeakPolarHBondContact O-CG1 3.39Å; T39-I43 PolarHBondContact O-N 2.96Å; T39-I43 VanDerWaalsContact O-N 3.13Å; T39-L81 HydrophobicContact CG2-CD1 4.37Å; T39-W169 PolarHBondContact OG1-O 2.05Å; T39-F185 HydrophobicContact CG2-CZ 4.1Å
40I97.4Very high95.7Very high54 Ų5447.1 Ų47.128%0.27727%0.269SS..Hα-helixtrans-62.7-46.9-179.4-67.3168.2000110.5L36 P37 V38 I43 L44 L81L36-I40 HydrophobicContact CD1-CD1 4.05Å; L36-I40 HydrophobicContact CD1-CG1 4.24Å; L36-I40 HydrophobicContact CG-CD1 3.94Å; L36-I40 WeakPolarHBondContact O-CG1 3.46Å; L36-I40 PolarHBondContact O-N 3.09Å; P37-I40 PolarHBondContact O-N 3.09Å; V38-I40 VanDerWaalsContact C-N 3.35Å; V38-I40 PolarHBondContact O-N 2.91Å; I40-I43 PolarHBondContact O-N 3.4Å; I40-L44 HydrophobicContact CG2-CD1 3.57Å; I40-L44 HydrophobicContact CG2-CG 4.12Å; I40-L44 WeakPolarHBondContact O-CB 3.34Å; I40-L44 VanDerWaalsContact O-CG 3.27Å; I40-L44 WeakPolarHBondContact O-CG 3.25Å; I40-L44 PolarHBondContact O-N 2.93Å; I40-L81 HydrophobicContact CG1-CD2 4.07Å
41M96.9Very high95.9Very high115 Ų11550.6 Ų50.657%0.56728%0.283SS*.Hα-helixtrans-64.1-42.4-179.9-70-62.8163.600111.9P37 V38 I43 L44 V45P37-M41 WeakPolarHBondContact O-CB 3.27Å; P37-M41 WeakPolarHBondContact O-CG 3.35Å; P37-M41 PolarHBondContact O-N 3.18Å; V38-M41 PolarHBondContact O-N 3.25Å; M41-I43 PolarHBondContact O-N 3.18Å; M41-L44 PolarHBondContact O-N 2.93Å; M41-V45 VanDerWaalsContact O-CB 3.26Å; M41-V45 WeakPolarHBondContact O-CB 3.43Å; M41-V45 VanDerWaalsContact O-CG2 3.26Å; M41-V45 WeakPolarHBondContact O-CG2 3.44Å; M41-V45 PolarHBondContact O-N 3.28Å
42L96.7Very high96.1Very high68 Ų6852.7 Ų52.736%0.35629%0.293SS..Hα-helixtrans-59.2-46.3176.8-75.2172.2000111.4V38 T39 T46 V227V38-L42 HydrophobicContact CG1-CD1 3.98Å; V38-L42 HydrophobicContact CG1-CG 4.32Å; V38-L42 WeakPolarHBondContact O-CB 3.28Å; V38-L42 VanDerWaalsContact O-CG 3.29Å; V38-L42 WeakPolarHBondContact O-CG 3.43Å; V38-L42 PolarHBondContact O-N 3.08Å; T39-L42 PolarHBondContact O-N 3.33Å; L42-T46 WeakPolarHBondContact O-CB 2.99Å; L42-T46 PolarHBondContact O-N 2.81Å; L42-T46 PolarHBondContact O-OG1 3.38Å; L42-V227 HydrophobicContact CD2-CG1 4.25Å
43I97.4Very high96.4Very high21 Ų2154.2 Ų54.211%0.10829%0.294CS..Hα-helixtrans-66.3-50.7178.6-64.9167.6000110.5T39 I40 M41 M47 L81 F185 L189T39-I43 HydrophobicContact CG2-CD1 4.11Å; T39-I43 WeakPolarHBondContact O-CG1 3.39Å; T39-I43 PolarHBondContact O-N 2.96Å; T39-I43 VanDerWaalsContact O-N 3.13Å; I40-I43 PolarHBondContact O-N 3.4Å; M41-I43 PolarHBondContact O-N 3.18Å; I43-M47 HydrophobicContact CG2-CG 4.44Å; I43-M47 WeakPolarHBondContact O-CB 3.36Å; I43-M47 VanDerWaalsContact O-CG 3.28Å; I43-M47 WeakPolarHBondContact O-CG 3.34Å; I43-M47 PolarHBondContact O-N 3.46Å; I43-L81 HydrophobicContact CD1-CD2 4.09Å; I43-F185 HydrophobicContact CD1-CE2 4.01Å; I43-F185 HydrophobicContact CD1-CZ 4.31Å; I43-L189 HydrophobicContact CD1-CD1 4.18Å; I43-L189 HydrophobicContact CG1-CD1 4.12Å
44L97.2Very high96.7Very high97 Ų9752.1 Ų52.151%0.50828%0.283SS..Hα-helixtrans-65.2-45.9-174.8-70.8179.5000112.9I40 M41 T48I40-L44 HydrophobicContact CG2-CD1 3.57Å; I40-L44 HydrophobicContact CG2-CG 4.12Å; I40-L44 WeakPolarHBondContact O-CB 3.34Å; I40-L44 VanDerWaalsContact O-CG 3.27Å; I40-L44 WeakPolarHBondContact O-CG 3.25Å; I40-L44 PolarHBondContact O-N 2.93Å; M41-L44 PolarHBondContact O-N 2.93Å; L44-T48 WeakPolarHBondContact O-CB 3.39Å; L44-T48 PolarHBondContact O-N 3.27Å; L44-T48 PolarHBondContact O-OG1 3.42Å
45V97.4Very high97.1Very high64 Ų6448.4 Ų48.439%0.38826%0.257SS..Hα-helixtrans-67.8-46.2-179174.10000110.4M41 M47 T48 F49M41-V45 VanDerWaalsContact O-CB 3.26Å; M41-V45 WeakPolarHBondContact O-CB 3.43Å; M41-V45 VanDerWaalsContact O-CG2 3.26Å; M41-V45 WeakPolarHBondContact O-CG2 3.44Å; M41-V45 PolarHBondContact O-N 3.28Å; V45-M47 PolarHBondContact O-N 3.46Å; V45-T48 PolarHBondContact O-N 3.03Å; V45-F49 HydrophobicContact CG1-CD2 4.27Å; V45-F49 HydrophobicContact CG1-CE2 4.01Å; V45-F49 HydrophobicContact CG1-CZ 4.15Å; V45-F49 PolarHBondContact O-N 3.08Å
46T98Very high97.2Very high18 Ų1850 Ų5011%0.1127%0.268CS..Hα-helixtrans-60.1-47.7179.1-55.40000111L42 T48 F49 F50 V224 V227 T228L42-T46 WeakPolarHBondContact O-CB 2.99Å; L42-T46 PolarHBondContact O-N 2.81Å; L42-T46 PolarHBondContact O-OG1 3.38Å; T46-T48 PolarHBondContact O-N 3.25Å; T46-F49 PolarHBondContact O-N 2.66Å; T46-F50 WeakPolarHBondContact O-CB 3.06Å; T46-F50 PolarHBondContact O-N 2.97Å; T46-V224 HydrophobicContact CG2-CG1 4Å; T46-V224 HydrophobicContact CG2-CG2 4.46Å; T46-V227 WeakPolarHBondContact OG1-CG1 3.23Å; T46-T228 HydrophobicContact CG2-CG2 4.12Å
47M98Very high97.1Very high10 Ų1051.1 Ų51.15%0.04927%0.272CS..Hα-helixtrans-67.9-37.1179.3-68.9-50-50.900112.1I43 V45 F50 Y51 A70 T74 L192 V196I43-M47 HydrophobicContact CG2-CG 4.44Å; I43-M47 WeakPolarHBondContact O-CB 3.36Å; I43-M47 VanDerWaalsContact O-CG 3.28Å; I43-M47 WeakPolarHBondContact O-CG 3.34Å; I43-M47 PolarHBondContact O-N 3.46Å; V45-M47 PolarHBondContact O-N 3.46Å; M47-F50 HydrophobicContact CE-CD1 3.8Å; M47-F50 PolarHBondContact O-N 3.29Å; M47-Y51 HydrophobicContact CB-CD2 4.48Å; M47-Y51 HydrophobicContact CE-CD2 4.18Å; M47-Y51 HydrophobicContact CE-CE2 3.66Å; M47-Y51 WeakPolarHBondContact O-CB 3.49Å; M47-Y51 WeakPolarHBondContact O-CD2 3.41Å; M47-Y51 PolarHBondContact O-N 3.37Å; M47-A70 HydrophobicContact CE-CB 4.22Å; M47-T74 VanDerWaalsContact CE-OG1 3.31Å; M47-T74 WeakPolarHBondContact CE-OG1 3.41Å; M47-T74 HydrophobicContact CG-CG2 4.05Å; M47-L192 HydrophobicContact CE-CD1 4.1Å; M47-L192 HydrophobicContact CG-CD2 4.35Å; M47-L192 HydrophobicContact SD-CD1 3.8Å; M47-L192 HydrophobicContact SD-CD2 3.86Å; M47-L192 HydrophobicContact SD-CG 4.03Å; M47-V196 HydrophobicContact SD-CG2 4.18Å
48T97.8Very high97.1Very high69 Ų6948.1 Ų48.142%0.42325%0.252SS..Hα-helixtrans-61.6-46.6176.1-63.30000111L44 V45 T46 Y51 I52L44-T48 WeakPolarHBondContact O-CB 3.39Å; L44-T48 PolarHBondContact O-N 3.27Å; L44-T48 PolarHBondContact O-OG1 3.42Å; V45-T48 PolarHBondContact O-N 3.03Å; T46-T48 PolarHBondContact O-N 3.25Å; T48-Y51 PolarHBondContact O-N 3.07Å; T48-I52 HydrophobicContact CG2-CD1 3.68Å; T48-I52 HydrophobicContact CG2-CG1 4.5Å; T48-I52 WeakPolarHBondContact O-CB 3.4Å; T48-I52 VanDerWaalsContact O-CG1 3.27Å; T48-I52 WeakPolarHBondContact O-CG1 3.27Å; T48-I52 PolarHBondContact O-N 3.08Å
49F98Very high97.1Very high48 Ų4846.9 Ų46.921%0.21125%0.246CC..Hα-helixtrans-63.5-45.3175.7-74.2-2.5000111.6V45 T46 Y51 I52 F53 F220 I223 V224V45-F49 HydrophobicContact CG1-CD2 4.27Å; V45-F49 HydrophobicContact CG1-CE2 4.01Å; V45-F49 HydrophobicContact CG1-CZ 4.15Å; V45-F49 PolarHBondContact O-N 3.08Å; T46-F49 PolarHBondContact O-N 2.66Å; F49-Y51 VanDerWaalsContact C-N 3.31Å; F49-Y51 PolarHBondContact O-N 2.91Å; F49-I52 PolarHBondContact O-N 2.87Å; F49-F53 HydrophobicContact CB-CD2 4.1Å; F49-F53 HydrophobicContact CB-CE2 4.49Å; F49-F53 HydrophobicContact CD1-CD2 4.35Å; F49-F53 AromaticContact CD1-CE2 3.89Å; F49-F53 HydrophobicContact CD1-CE2 3.89Å; F49-F53 HydrophobicContact CE1-CE2 4.4Å; F49-F53 HydrophobicContact CG-CD2 4.35Å; F49-F53 HydrophobicContact CG-CE2 4.28Å; F49-F53 WeakPolarHBondContact O-CB 3.37Å; F49-F53 VanDerWaalsContact O-CD2 3.31Å; F49-F53 WeakPolarHBondContact O-CD2 3.11Å; F49-F53 PolarHBondContact O-N 3.36Å; F49-F220 HydrophobicContact CD2-CB 4.34Å; F49-F220 HydrophobicContact CD2-CD1 4.17Å; F49-F220 HydrophobicContact CE1-CD1 4.2Å; F49-F220 AromaticContact CE2-CD1 3.75Å; F49-F220 HydrophobicContact CE2-CD1 3.75Å; F49-F220 HydrophobicContact CE2-CE1 4.45Å; F49-F220 HydrophobicContact CG-CB 4.48Å; F49-F220 AromaticContact CZ-CD1 3.76Å; F49-F220 HydrophobicContact CZ-CD1 3.76Å; F49-F220 HydrophobicContact CZ-CE1 4.1Å; F49-I223 HydrophobicContact CD2-CG2 4.31Å; F49-I223 HydrophobicContact CE2-CD1 4.25Å; F49-I223 HydrophobicContact CE2-CG2 4.29Å; F49-V224 HydrophobicContact CB-CG2 3.5Å
50F98.1Very high97Very high0 Ų055.5 Ų55.50%028%0.282CS..Iπ-helixtrans-55.9-44.9175.3-178.3-105.8000112.3T46 M47 D54 V55 I66 A70 F195 V196 C199 V224T46-F50 WeakPolarHBondContact O-CB 3.06Å; T46-F50 PolarHBondContact O-N 2.97Å; M47-F50 HydrophobicContact CE-CD1 3.8Å; M47-F50 PolarHBondContact O-N 3.29Å; F50-D54 WeakPolarHBondContact CA-OD2 3.26Å; F50-D54 HydrophobicContact CD2-CB 3.6Å; F50-D54 HydrophobicContact CE2-CB 3.83Å; F50-D54 HydrophobicContact CG-CB 4.39Å; F50-D54 WeakPolarHBondContact O-CA 3.45Å; F50-D54 WeakPolarHBondContact O-CB 3.26Å; F50-D54 PolarHBondContact O-N 2.98Å; F50-V55 HydrophobicContact CD1-CG2 3.77Å; F50-V55 HydrophobicContact CE1-CG2 3.53Å; F50-V55 HydrophobicContact CZ-CG2 4.14Å; F50-V55 PolarHBondContact O-N 3.41Å; F50-I66 HydrophobicContact CZ-CG2 4.24Å; F50-A70 HydrophobicContact CD1-CB 4.44Å; F50-A70 HydrophobicContact CE1-CB 3.82Å; F50-F195 HydrophobicContact CZ-CE1 4.42Å; F50-V196 HydrophobicContact CD1-CG2 4.35Å; F50-V196 HydrophobicContact CD2-CG1 3.69Å; F50-V196 HydrophobicContact CD2-CG2 4.37Å; F50-V196 HydrophobicContact CE1-CG2 4.37Å; F50-V196 HydrophobicContact CE2-CG1 4.03Å; F50-V196 HydrophobicContact CE2-CG2 4.38Å; F50-V196 HydrophobicContact CG-CG1 4.19Å; F50-V196 HydrophobicContact CG-CG2 4.34Å; F50-V196 HydrophobicContact CZ-CG2 4.38Å; F50-C199 HydrophobicContact CE2-CB 3.81Å; F50-C199 HydrophobicContact CZ-CB 4.15Å; F50-V224 HydrophobicContact CB-CG1 4.45Å
51Y97.6Very high96.9Very high73 Ų7358.1 Ų58.129%0.28629%0.292SS..Iπ-helixtrans-67.9-35.7178.4-86.1-65.6000114.2M47 T48 F49 V55 P56 A67 A70 C71M47-Y51 HydrophobicContact CB-CD2 4.48Å; M47-Y51 HydrophobicContact CE-CD2 4.18Å; M47-Y51 HydrophobicContact CE-CE2 3.66Å; M47-Y51 WeakPolarHBondContact O-CB 3.49Å; M47-Y51 WeakPolarHBondContact O-CD2 3.41Å; M47-Y51 PolarHBondContact O-N 3.37Å; T48-Y51 PolarHBondContact O-N 3.07Å; F49-Y51 VanDerWaalsContact C-N 3.31Å; F49-Y51 PolarHBondContact O-N 2.91Å; Y51-V55 HydrophobicContact CD1-CB 4.27Å; Y51-V55 HydrophobicContact CD1-CG1 4.38Å; Y51-V55 HydrophobicContact CD1-CG2 3.75Å; Y51-V55 HydrophobicContact CE1-CG2 4.11Å; Y51-V55 HydrophobicContact CG-CG2 4.43Å; Y51-P56 WeakPolarHBondContact O-CD 3.43Å; Y51-A67 PolarHBondContact OH-O 2.87Å; Y51-A70 WeakPolarHBondContact OH-CB 3.47Å; Y51-C71 WeakPolarHBondContact OH-CA 3.4Å; Y51-C71 VanDerWaalsContact OH-CB 3.27Å; Y51-C71 WeakPolarHBondContact OH-CB 3.49Å; Y51-C71 PolarHBondContact OH-N 3.49Å
52I97.5Very high96.7Very high99 Ų9957.9 Ų57.951%0.50829%0.288SS..Iπ-helixtrans-80.6-42.1-177.5-67.8172.5000111.1T48 F49 P56T48-I52 HydrophobicContact CG2-CD1 3.68Å; T48-I52 HydrophobicContact CG2-CG1 4.5Å; T48-I52 WeakPolarHBondContact O-CB 3.4Å; T48-I52 VanDerWaalsContact O-CG1 3.27Å; T48-I52 WeakPolarHBondContact O-CG1 3.27Å; T48-I52 PolarHBondContact O-N 3.08Å; F49-I52 PolarHBondContact O-N 2.87Å; I52-P56 WeakPolarHBondContact O-CG 3.22Å
53F96.5Very high96.6Very high72 Ų7257.3 Ų57.332%0.31629%0.29SS..Iπ-helixtrans-104.9-31.6-167.5-60.5-69.7000113.9F49 R203 F220F49-F53 HydrophobicContact CB-CD2 4.1Å; F49-F53 HydrophobicContact CB-CE2 4.49Å; F49-F53 HydrophobicContact CD1-CD2 4.35Å; F49-F53 AromaticContact CD1-CE2 3.89Å; F49-F53 HydrophobicContact CD1-CE2 3.89Å; F49-F53 HydrophobicContact CE1-CE2 4.4Å; F49-F53 HydrophobicContact CG-CD2 4.35Å; F49-F53 HydrophobicContact CG-CE2 4.28Å; F49-F53 WeakPolarHBondContact O-CB 3.37Å; F49-F53 VanDerWaalsContact O-CD2 3.31Å; F49-F53 WeakPolarHBondContact O-CD2 3.11Å; F49-F53 PolarHBondContact O-N 3.36Å; F53-R203 PolarHBondContact O-NH1 3.43Å; F53-F220 HydrophobicContact CD1-CB 4.37Å; F53-F220 HydrophobicContact CD1-CD2 4.12Å; F53-F220 HydrophobicContact CD2-CB 3.35Å; F53-F220 HydrophobicContact CD2-CD2 4.17Å; F53-F220 AromaticContact CD2-CG 3.87Å; F53-F220 HydrophobicContact CD2-CG 3.87Å; F53-F220 HydrophobicContact CE1-CB 4.47Å; F53-F220 AromaticContact CE1-CD2 3.55Å; F53-F220 HydrophobicContact CE1-CD2 3.55Å; F53-F220 HydrophobicContact CE1-CE2 4.08Å; F53-F220 HydrophobicContact CE1-CG 4.22Å; F53-F220 HydrophobicContact CE2-CB 3.48Å; F53-F220 VanDerWaalsContact CE2-CB 3.48Å; F53-F220 HydrophobicContact CE2-CD1 4.04Å; F53-F220 AromaticContact CE2-CD2 3.62Å; F53-F220 HydrophobicContact CE2-CD2 3.62Å; F53-F220 HydrophobicContact CE2-CE2 4.34Å; F53-F220 AromaticContact CE2-CG 3.43Å; F53-F220 HydrophobicContact CE2-CG 3.43Å; F53-F220 VanDerWaalsContact CE2-CG 3.43Å; F53-F220 HydrophobicContact CG-CB 3.85Å; F53-F220 HydrophobicContact CG-CD2 4.41Å; F53-F220 HydrophobicContact CG-CG 4.44Å; F53-F220 HydrophobicContact CZ-CB 4.06Å; F53-F220 HydrophobicContact CZ-CD1 4.33Å; F53-F220 AromaticContact CZ-CD2 3.26Å; F53-F220 HydrophobicContact CZ-CD2 3.26Å; F53-F220 AromaticContact CZ-CE2 3.7Å; F53-F220 HydrophobicContact CZ-CE2 3.7Å; F53-F220 AromaticContact CZ-CG 3.63Å; F53-F220 HydrophobicContact CZ-CG 3.63Å; F53-F220 HydrophobicContact CZ-CZ 4.39Å
54D96.5Very high96.5Very high0 Ų059.7 Ų59.70%031%0.307CS..Iπ-helixtrans-105.4-43.5-171.5-55.8-65.2000112.6F50 Y57 F58 R203 S221F50-D54 WeakPolarHBondContact CA-OD2 3.26Å; F50-D54 HydrophobicContact CD2-CB 3.6Å; F50-D54 HydrophobicContact CE2-CB 3.83Å; F50-D54 HydrophobicContact CG-CB 4.39Å; F50-D54 WeakPolarHBondContact O-CA 3.45Å; F50-D54 WeakPolarHBondContact O-CB 3.26Å; F50-D54 PolarHBondContact O-N 2.98Å; D54-Y57 WeakPolarHBondContact O-CB 3.39Å; D54-Y57 PolarHBondContact O-N 3.47Å; D54-Y57 VanDerWaalsContact O-N 3.12Å; D54-F58 HydrophobicContact CB-CE2 4.49Å; D54-F58 VanDerWaalsContact O-CD2 3.25Å; D54-F58 WeakPolarHBondContact O-CD2 3.34Å; D54-F58 PolarHBondContact O-N 2.92Å; D54-F58 VanDerWaalsContact O-N 3.09Å; D54-R203 IonicContact OD1-CZ 3.64Å; D54-R203 IonicContact OD1-NH1 3.49Å; D54-R203 PolarHBondContact OD1-NH1 3.37Å; D54-S221 WeakPolarHBondContact OD1-CB 3.45Å; D54-S221 PolarHBondContact OD1-OG 3.39Å; D54-S221 PolarHBondContact OD2-OG 3.39Å
55V97Very high96.5Very high13 Ų1357.7 Ų57.78%0.07931%0.305CS..Hα-helixtrans-57-42.9179.8168.60000113.4F50 Y51 Y57 F58 C59 A67F50-V55 HydrophobicContact CD1-CG2 3.77Å; F50-V55 HydrophobicContact CE1-CG2 3.53Å; F50-V55 HydrophobicContact CZ-CG2 4.14Å; F50-V55 PolarHBondContact O-N 3.41Å; Y51-V55 HydrophobicContact CD1-CB 4.27Å; Y51-V55 HydrophobicContact CD1-CG1 4.38Å; Y51-V55 HydrophobicContact CD1-CG2 3.75Å; Y51-V55 HydrophobicContact CE1-CG2 4.11Å; Y51-V55 HydrophobicContact CG-CG2 4.43Å; V55-Y57 VanDerWaalsContact C-N 3.29Å; V55-Y57 PolarHBondContact O-N 3.17Å; V55-F58 PolarHBondContact O-N 2.91Å; V55-C59 WeakPolarHBondContact O-CB 3.37Å; V55-C59 PolarHBondContact O-N 2.91Å; V55-A67 HydrophobicContact CG1-CB 3.55Å
56P96.5Very high96.4Very high72 Ų7256.1 Ų56.147%0.46829%0.294SS..Hα-helixtrans-60.6-37.5177-26.136.8000113.2Y51 I52 K60Y51-P56 WeakPolarHBondContact O-CD 3.43Å; I52-P56 WeakPolarHBondContact O-CG 3.22Å; P56-K60 WeakPolarHBondContact O-CB 3.46Å; P56-K60 PolarHBondContact O-N 3.19Å
57Y95.1Very high96.3Very high31 Ų3156.3 Ų56.312%0.12230%0.297CS..Hα-helixtrans-62.6-48.9175.2162.3-87.4000110.5D54 V55 C59 K60 K61 F62 R203 D206 E207D54-Y57 WeakPolarHBondContact O-CB 3.39Å; D54-Y57 PolarHBondContact O-N 3.47Å; D54-Y57 VanDerWaalsContact O-N 3.12Å; V55-Y57 VanDerWaalsContact C-N 3.29Å; V55-Y57 PolarHBondContact O-N 3.17Å; Y57-C59 PolarHBondContact O-N 3.05Å; Y57-K60 PolarHBondContact O-N 3.41Å; Y57-K61 HydrophobicContact CE2-CD 4.05Å; Y57-K61 WeakPolarHBondContact O-CB 3.42Å; Y57-K61 PolarHBondContact O-N 3.41Å; Y57-F62 HydrophobicContact CE1-CD2 4.5Å; Y57-F62 HydrophobicContact CE1-CE2 4.02Å; Y57-R203 HydrophobicContact CD1-CB 4.47Å; Y57-R203 HydrophobicContact CD1-CG 3.97Å; Y57-R203 HydrophobicContact CE1-CB 3.96Å; Y57-R203 HydrophobicContact CE1-CG 3.68Å; Y57-R203 HydrophobicContact CE2-CG 4.35Å; Y57-R203 HydrophobicContact CG-CG 4.45Å; Y57-D206 VanDerWaalsContact OH-CB 3.28Å; Y57-D206 WeakPolarHBondContact OH-CB 3.2Å; Y57-D206 PolarHBondContact OH-OD2 3.38Å; Y57-E207 HydrophobicContact CD2-CG 4.49Å; Y57-E207 VanDerWaalsContact CD2-OE1 3.24Å; Y57-E207 WeakPolarHBondContact CD2-OE1 3.31Å; Y57-E207 HydrophobicContact CE2-CG 3.73Å; Y57-E207 VanDerWaalsContact CE2-OE1 3.31Å; Y57-E207 WeakPolarHBondContact CE2-OE1 3.48Å
58F96.3Very high96.3Very high4 Ų458.5 Ų58.52%0.01832%0.317CS..Hα-helixtrans-65.8-39.4178.9-80-68.3000113.5D54 V55 K60 F62 S63 I66 C199 V202 R203D54-F58 HydrophobicContact CB-CE2 4.49Å; D54-F58 VanDerWaalsContact O-CD2 3.25Å; D54-F58 WeakPolarHBondContact O-CD2 3.34Å; D54-F58 PolarHBondContact O-N 2.92Å; D54-F58 VanDerWaalsContact O-N 3.09Å; V55-F58 PolarHBondContact O-N 2.91Å; F58-K60 VanDerWaalsContact C-N 3.3Å; F58-K60 PolarHBondContact O-N 3.29Å; F58-F62 AromaticContact CD1-CD2 3.52Å; F58-F62 HydrophobicContact CD1-CD2 3.52Å; F58-F62 HydrophobicContact CD1-CE2 4.06Å; F58-F62 HydrophobicContact CD1-CG 4.33Å; F58-F62 AromaticContact CE1-CD2 3.88Å; F58-F62 HydrophobicContact CE1-CD2 3.88Å; F58-F62 AromaticContact CE1-CE2 3.95Å; F58-F62 HydrophobicContact CE1-CE2 3.95Å; F58-F62 CarbonylContact O-C 3.52Å; F58-F62 WeakPolarHBondContact O-CA 3.05Å; F58-F62 PolarHBondContact O-N 2.98Å; F58-S63 PolarHBondContact O-N 2.81Å; F58-I66 HydrophobicContact CB-CB 4.37Å; F58-I66 HydrophobicContact CB-CD1 3.74Å; F58-I66 HydrophobicContact CB-CG2 4.17Å; F58-I66 HydrophobicContact CD1-CD1 3.44Å; F58-I66 VanDerWaalsContact CD1-CD1 3.44Å; F58-I66 HydrophobicContact CE1-CD1 4.33Å; F58-I66 HydrophobicContact CG-CD1 3.75Å; F58-I66 HydrophobicContact CG-CG2 4.29Å; F58-C199 HydrophobicContact CD2-CB 4.43Å; F58-C199 HydrophobicContact CE2-CB 3.67Å; F58-C199 HydrophobicContact CZ-CB 3.79Å; F58-C199 WeakPolarHBondContact CZ-O 3.41Å; F58-V202 HydrophobicContact CE1-CG1 4.1Å; F58-R203 HydrophobicContact CE2-CB 4.36Å; F58-R203 HydrophobicContact CZ-CB 4.01Å
59C96.3Very high96.2Very high44 Ų4458.4 Ų58.430%0.29732%0.316SS..Hα-helixtrans-59-41.3173.6-98.60000112.1V55 Y57 C64V55-C59 WeakPolarHBondContact O-CB 3.37Å; V55-C59 PolarHBondContact O-N 2.91Å; Y57-C59 PolarHBondContact O-N 3.05Å; C59-C64 VanDerWaalsContact CA-SG 3.57Å; C59-C64 HydrophobicContact CB-CB 4.33Å; C59-C64 WeakPolarHBondContact CB-SG 3.27Å; C59-C64 WeakPolarHBondContact SG-CA 3.29Å; C59-C64 WeakPolarHBondContact SG-CB 3.26Å; C59-C64 CovalentContact SG-SG 2.05Å; C59-C64 PolarHBondContact SG-SG 3.42Å
60K95.5Very high96.2Very high193 Ų19356.1 Ų56.184%0.83931%0.306SS*.Hα-helixtrans-75.6-40.1-179.4-174.6179.5178.1-176.30112.7P56 Y57 F58P56-K60 WeakPolarHBondContact O-CB 3.46Å; P56-K60 PolarHBondContact O-N 3.19Å; Y57-K60 PolarHBondContact O-N 3.41Å; F58-K60 VanDerWaalsContact C-N 3.3Å; F58-K60 PolarHBondContact O-N 3.29Å
61K94.1Very high96.1Very high110 Ų11059.5 Ų59.548%0.47833%0.329SS..Hα-helixtrans-94.7-32.6-171-169.6163-169.11590114.4Y57 D206Y57-K61 HydrophobicContact CE2-CD 4.05Å; Y57-K61 WeakPolarHBondContact O-CB 3.42Å; Y57-K61 PolarHBondContact O-N 3.41Å; K61-D206 WeakPolarHBondContact CD-OD2 3.46Å; K61-D206 WeakPolarHBondContact CE-OD1 3.48Å; K61-D206 VanDerWaalsContact CE-OD2 3.27Å; K61-D206 WeakPolarHBondContact CE-OD2 3.46Å; K61-D206 IonicContact NZ-OD1 3.72Å; K61-D206 PolarHBondContact NZ-OD1 3.2Å; K61-D206 IonicContact NZ-OD2 3.26Å; K61-D206 PolarHBondContact NZ-OD2 2.88Å
62F93.4Very high96.1Very high109 Ų10959.9 Ų59.948%0.47834%0.341SS..THydrogen-bonded Turntrans-124.6-77-172.3-61.6-83.8000112Y57 F58 I66 V202Y57-F62 HydrophobicContact CE1-CD2 4.5Å; Y57-F62 HydrophobicContact CE1-CE2 4.02Å; F58-F62 AromaticContact CD1-CD2 3.52Å; F58-F62 HydrophobicContact CD1-CD2 3.52Å; F58-F62 HydrophobicContact CD1-CE2 4.06Å; F58-F62 HydrophobicContact CD1-CG 4.33Å; F58-F62 AromaticContact CE1-CD2 3.88Å; F58-F62 HydrophobicContact CE1-CD2 3.88Å; F58-F62 AromaticContact CE1-CE2 3.95Å; F58-F62 HydrophobicContact CE1-CE2 3.95Å; F58-F62 CarbonylContact O-C 3.52Å; F58-F62 WeakPolarHBondContact O-CA 3.05Å; F58-F62 PolarHBondContact O-N 2.98Å; F62-I66 HydrophobicContact CB-CD1 4.44Å; F62-V202 HydrophobicContact CE2-CG1 4.32Å; F62-V202 HydrophobicContact CZ-CG1 4.05Å
63S95.5Very high96.2Very high57 Ų5756.5 Ų56.540%0.39932%0.324SS..  trans-167.7140.9-177.5179.60000111.6F58 A65 I66F58-S63 PolarHBondContact O-N 2.81Å; S63-A65 PolarHBondContact O-N 3.07Å; S63-A65 VanDerWaalsContact OG-CB 3.32Å; S63-A65 WeakPolarHBondContact OG-CB 3.32Å; S63-A65 PolarHBondContact OG-N 3.26Å; S63-I66 PolarHBondContact O-N 3.4Å
64C94.9Very high96.2Very high71 Ų7154.3 Ų54.348%0.4832%0.317SS..THydrogen-bonded Turntrans-71.3-5.6169.7-71.80000114.1C59 I66 A67 A68C59-C64 VanDerWaalsContact CA-SG 3.57Å; C59-C64 HydrophobicContact CB-CB 4.33Å; C59-C64 WeakPolarHBondContact CB-SG 3.27Å; C59-C64 WeakPolarHBondContact SG-CA 3.29Å; C59-C64 WeakPolarHBondContact SG-CB 3.26Å; C59-C64 CovalentContact SG-SG 2.05Å; C59-C64 PolarHBondContact SG-SG 3.42Å; C64-I66 PolarHBondContact O-N 2.98Å; C64-A67 WeakPolarHBondContact O-CB 2.96Å; C64-A67 PolarHBondContact O-N 3.43Å; C64-A68 PolarHBondContact O-N 3.49Å
65A96Very high96.3Very high55 Ų5556.5 Ų56.546%0.45534%0.335SS..Hα-helixtrans-57.7-28.7170.700000112S63 A67 A68 V69S63-A65 PolarHBondContact O-N 3.07Å; S63-A65 VanDerWaalsContact OG-CB 3.32Å; S63-A65 WeakPolarHBondContact OG-CB 3.32Å; S63-A65 PolarHBondContact OG-N 3.26Å; A65-A67 VanDerWaalsContact C-N 3.3Å; A65-A67 PolarHBondContact O-N 3.45Å; A65-A68 PolarHBondContact O-N 2.85Å; A65-V69 WeakPolarHBondContact O-CG2 3.31Å; A65-V69 PolarHBondContact O-N 3.46Å
66I95.7Very high96.3Very high31 Ų3158.8 Ų58.816%0.15935%0.349CS..Hα-helixtrans-58.4-42.8174.5-70.6169000111F50 F58 F62 S63 C64 A68 V69 A70 F195F50-I66 HydrophobicContact CZ-CG2 4.24Å; F58-I66 HydrophobicContact CB-CB 4.37Å; F58-I66 HydrophobicContact CB-CD1 3.74Å; F58-I66 HydrophobicContact CB-CG2 4.17Å; F58-I66 HydrophobicContact CD1-CD1 3.44Å; F58-I66 VanDerWaalsContact CD1-CD1 3.44Å; F58-I66 HydrophobicContact CE1-CD1 4.33Å; F58-I66 HydrophobicContact CG-CD1 3.75Å; F58-I66 HydrophobicContact CG-CG2 4.29Å; F62-I66 HydrophobicContact CB-CD1 4.44Å; S63-I66 PolarHBondContact O-N 3.4Å; C64-I66 PolarHBondContact O-N 2.98Å; I66-A68 VanDerWaalsContact C-N 3.34Å; I66-A68 PolarHBondContact O-N 3.34Å; I66-V69 PolarHBondContact O-N 3.13Å; I66-A70 WeakPolarHBondContact O-CB 3.16Å; I66-A70 PolarHBondContact O-N 2.89Å; I66-F195 HydrophobicContact CB-CZ 4.33Å; I66-F195 HydrophobicContact CG1-CZ 4.44Å; I66-F195 HydrophobicContact CG2-CE1 4.12Å; I66-F195 HydrophobicContact CG2-CZ 3.86Å
67A96.4Very high96.4Very high22 Ų2255.4 Ų55.418%0.18233%0.327CS..Hα-helixtrans-63.2-41.4177.100000111.8Y51 V55 C64 A65 C71Y51-A67 PolarHBondContact OH-O 2.87Å; V55-A67 HydrophobicContact CG1-CB 3.55Å; C64-A67 WeakPolarHBondContact O-CB 2.96Å; C64-A67 PolarHBondContact O-N 3.43Å; A65-A67 VanDerWaalsContact C-N 3.3Å; A65-A67 PolarHBondContact O-N 3.45Å; A67-C71 VanDerWaalsContact O-CB 3.26Å; A67-C71 WeakPolarHBondContact O-CB 3.15Å; A67-C71 PolarHBondContact O-N 3.08Å
68A96.7Very high96.5Very high56 Ų5656.3 Ų56.346%0.46334%0.341SS..Hα-helixtrans-66.7-45.4179.300000111.8C64 A65 I66 C71 C72C64-A68 PolarHBondContact O-N 3.49Å; A65-A68 PolarHBondContact O-N 2.85Å; I66-A68 VanDerWaalsContact C-N 3.34Å; I66-A68 PolarHBondContact O-N 3.34Å; A68-C71 WeakPolarHBondContact O-CB 3.34Å; A68-C71 PolarHBondContact O-N 3.45Å; A68-C72 PolarHBondContact O-N 3.43Å; A68-C72 PolarHBondContact O-SG 3.38Å; A68-C72 VanDerWaalsContact O-SG 3.33Å
69V97.3Very high96.6Very high67 Ų6761.2 Ų61.241%0.40637%0.366SS..Hα-helixtrans-62.1-47.6176.8173.40000111A65 I66 C71 C72 L73 F195A65-V69 WeakPolarHBondContact O-CG2 3.31Å; A65-V69 PolarHBondContact O-N 3.46Å; I66-V69 PolarHBondContact O-N 3.13Å; V69-C71 PolarHBondContact O-N 3.44Å; V69-C72 PolarHBondContact O-N 2.62Å; V69-L73 HydrophobicContact CG1-CD1 3.97Å; V69-L73 HydrophobicContact CG1-CG 4.46Å; V69-L73 WeakPolarHBondContact O-CG 3.32Å; V69-L73 PolarHBondContact O-N 3.37Å; V69-F195 HydrophobicContact CB-CE2 4.29Å; V69-F195 HydrophobicContact CB-CZ 4.05Å; V69-F195 HydrophobicContact CG1-CD2 4.17Å; V69-F195 HydrophobicContact CG1-CE1 4.44Å; V69-F195 HydrophobicContact CG1-CE2 3.78Å; V69-F195 HydrophobicContact CG1-CZ 3.92Å
70A97.1Very high96.7Very high0 Ų059.2 Ų59.20%035%0.352CS..Hα-helixtrans-57.7-36.9175.100000112M47 F50 Y51 I66 T74 F195M47-A70 HydrophobicContact CE-CB 4.22Å; F50-A70 HydrophobicContact CD1-CB 4.44Å; F50-A70 HydrophobicContact CE1-CB 3.82Å; Y51-A70 WeakPolarHBondContact OH-CB 3.47Å; I66-A70 WeakPolarHBondContact O-CB 3.16Å; I66-A70 PolarHBondContact O-N 2.89Å; A70-T74 VanDerWaalsContact O-CB 3.26Å; A70-T74 WeakPolarHBondContact O-CB 3.29Å; A70-T74 PolarHBondContact O-N 2.99Å; A70-T74 PolarHBondContact O-OG1 3.49Å; A70-F195 HydrophobicContact CB-CE1 4.01Å
71C97.1Very high96.8Very high70 Ų7050.8 Ų50.847%0.47332%0.316SS..Hα-helixtrans-70.4-47.2-177.5-173.90000110.5Y51 A67 A68 V69 L73 T74 A75Y51-C71 WeakPolarHBondContact OH-CA 3.4Å; Y51-C71 VanDerWaalsContact OH-CB 3.27Å; Y51-C71 WeakPolarHBondContact OH-CB 3.49Å; Y51-C71 PolarHBondContact OH-N 3.49Å; A67-C71 VanDerWaalsContact O-CB 3.26Å; A67-C71 WeakPolarHBondContact O-CB 3.15Å; A67-C71 PolarHBondContact O-N 3.08Å; A68-C71 WeakPolarHBondContact O-CB 3.34Å; A68-C71 PolarHBondContact O-N 3.45Å; V69-C71 PolarHBondContact O-N 3.44Å; C71-L73 PolarHBondContact O-N 2.89Å; C71-T74 PolarHBondContact O-N 3.41Å; C71-A75 VanDerWaalsContact O-CB 3.31Å; C71-A75 WeakPolarHBondContact O-CB 3.44Å; C71-A75 PolarHBondContact O-N 2.91Å
72C97.6Very high97Very high82 Ų8251.2 Ų51.255%0.55432%0.316SS*.Hα-helixtrans-59.1-48.1175.8-68.80000111.6A68 V69 A75 V76A68-C72 PolarHBondContact O-N 3.43Å; A68-C72 PolarHBondContact O-SG 3.38Å; A68-C72 VanDerWaalsContact O-SG 3.33Å; V69-C72 PolarHBondContact O-N 2.62Å; C72-A75 PolarHBondContact O-N 2.9Å; C72-V76 WeakPolarHBondContact O-CG2 3.14Å; C72-V76 PolarHBondContact O-N 2.85Å
73L97.9Very high97.1Very high28 Ų2849.7 Ų49.715%0.14731%0.312CS..Hα-helixtrans-62.3-44.8177.7-72174.4000111.5V69 C71 A75 V76 C77 C188 M191 L192 F195V69-L73 HydrophobicContact CG1-CD1 3.97Å; V69-L73 HydrophobicContact CG1-CG 4.46Å; V69-L73 WeakPolarHBondContact O-CG 3.32Å; V69-L73 PolarHBondContact O-N 3.37Å; C71-L73 PolarHBondContact O-N 2.89Å; L73-A75 PolarHBondContact O-N 2.79Å; L73-V76 PolarHBondContact O-N 2.91Å; L73-C77 WeakPolarHBondContact O-CB 3.42Å; L73-C77 PolarHBondContact O-N 3.3Å; L73-C188 PolarHBondContact O-SG 2.95Å; L73-M191 HydrophobicContact CD2-CB 4.16Å; L73-M191 HydrophobicContact CD2-CE 4.35Å; L73-L192 HydrophobicContact CB-CB 4.32Å; L73-L192 HydrophobicContact CB-CD1 3.89Å; L73-L192 HydrophobicContact CD1-CD1 4.42Å; L73-F195 HydrophobicContact CD1-CB 4.32Å; L73-F195 HydrophobicContact CD1-CG 4.4Å
74T97.4Very high97.2Very high26 Ų2647 Ų4716%0.1629%0.294CS..Hα-helixtrans-64-41.8178.8-56.60000111.8M47 A70 C71 C77 A78M47-T74 VanDerWaalsContact CE-OG1 3.31Å; M47-T74 WeakPolarHBondContact CE-OG1 3.41Å; M47-T74 HydrophobicContact CG-CG2 4.05Å; A70-T74 VanDerWaalsContact O-CB 3.26Å; A70-T74 WeakPolarHBondContact O-CB 3.29Å; A70-T74 PolarHBondContact O-N 2.99Å; A70-T74 PolarHBondContact O-OG1 3.49Å; C71-T74 PolarHBondContact O-N 3.41Å; T74-C77 PolarHBondContact O-N 3.37Å; T74-A78 WeakPolarHBondContact O-CB 3.46Å; T74-A78 PolarHBondContact O-N 3.37Å
75A97.8Very high97.4Very high46 Ų4643.6 Ų43.638%0.3827%0.271SS..Hα-helixtrans-64.1-47.2178.200000111.8C71 C72 L73 C77 A78 I79C71-A75 VanDerWaalsContact O-CB 3.31Å; C71-A75 WeakPolarHBondContact O-CB 3.44Å; C71-A75 PolarHBondContact O-N 2.91Å; C72-A75 PolarHBondContact O-N 2.9Å; L73-A75 PolarHBondContact O-N 2.79Å; A75-C77 VanDerWaalsContact C-N 3.34Å; A75-C77 PolarHBondContact O-N 3.06Å; A75-A78 PolarHBondContact O-N 3.23Å; A75-I79 VanDerWaalsContact O-CG1 3.27Å; A75-I79 WeakPolarHBondContact O-CG1 3.29Å; A75-I79 PolarHBondContact O-N 3.02Å
76V98Very high97.4Very high61 Ų6143.4 Ų43.437%0.3726%0.259SS..Hα-helixtrans-63.6-42.2176.9174.60000110.7C72 L73 I79 S80 L184 C188C72-V76 WeakPolarHBondContact O-CG2 3.14Å; C72-V76 PolarHBondContact O-N 2.85Å; L73-V76 PolarHBondContact O-N 2.91Å; V76-I79 PolarHBondContact O-N 2.96Å; V76-S80 VanDerWaalsContact O-CB 3.31Å; V76-S80 WeakPolarHBondContact O-CB 3.28Å; V76-S80 PolarHBondContact O-N 2.85Å; V76-S80 PolarHBondContact O-OG 3.41Å; V76-L184 HydrophobicContact CG1-CD1 4.17Å; V76-L184 HydrophobicContact CG1-CD2 4.17Å; V76-L184 HydrophobicContact CG1-CG 4.15Å; V76-C188 HydrophobicContact CG1-CB 4.23Å
77C98Very high97.4Very high0 Ų043.3 Ų43.30%026%0.264CS..Hα-helixtrans-59.8-46175.2-174.40000111.6L73 T74 A75 S80 L81 F185 C188L73-C77 WeakPolarHBondContact O-CB 3.42Å; L73-C77 PolarHBondContact O-N 3.3Å; T74-C77 PolarHBondContact O-N 3.37Å; A75-C77 VanDerWaalsContact C-N 3.34Å; A75-C77 PolarHBondContact O-N 3.06Å; C77-S80 WeakPolarHBondContact CA-OG 3.36Å; C77-S80 PolarHBondContact O-N 3.46Å; C77-S80 PolarHBondContact O-OG 2.9Å; C77-L81 WeakPolarHBondContact O-CB 3.33Å; C77-L81 PolarHBondContact O-N 3.3Å; C77-F185 VanDerWaalsContact SG-CE2 3.59Å; C77-C188 HydrophobicContact CB-CB 4.45Å
78A97.7Very high97.4Very high51 Ų5143.2 Ų43.242%0.42126%0.26SS..Hα-helixtrans-65.4-42.617900000112.8T74 A75 Y82T74-A78 WeakPolarHBondContact O-CB 3.46Å; T74-A78 PolarHBondContact O-N 3.37Å; A75-A78 PolarHBondContact O-N 3.23Å; A78-Y82 WeakPolarHBondContact O-CB 3.47Å; A78-Y82 PolarHBondContact O-N 2.7Å
79I97.9Very high97.4Very high106 Ų10640.6 Ų40.654%0.54424%0.238SC..Hα-helixtrans-65.1-46.5177.9-67.4164.6000110.5A75 V76 Y82 L83A75-I79 VanDerWaalsContact O-CG1 3.27Å; A75-I79 WeakPolarHBondContact O-CG1 3.29Å; A75-I79 PolarHBondContact O-N 3.02Å; V76-I79 PolarHBondContact O-N 2.96Å; I79-Y82 PolarHBondContact O-N 3.33Å; I79-L83 HydrophobicContact CG2-CD1 3.93Å; I79-L83 HydrophobicContact CG2-CG 4.41Å; I79-L83 WeakPolarHBondContact O-CG 3.34Å; I79-L83 PolarHBondContact O-N 3.41Å
80S98.2Very high97.3Very high2 Ų237.6 Ų37.61%0.01422%0.221CC..Hα-helixtrans-68.6-35.9179.954.50000112.8V76 C77 L83 S84 S181 F185V76-S80 VanDerWaalsContact O-CB 3.31Å; V76-S80 WeakPolarHBondContact O-CB 3.28Å; V76-S80 PolarHBondContact O-N 2.85Å; V76-S80 PolarHBondContact O-OG 3.41Å; C77-S80 WeakPolarHBondContact CA-OG 3.36Å; C77-S80 PolarHBondContact O-N 3.46Å; C77-S80 PolarHBondContact O-OG 2.9Å; S80-L83 PolarHBondContact O-N 3.35Å; S80-S84 WeakPolarHBondContact O-CB 3.31Å; S80-S84 PolarHBondContact O-N 3.49Å; S80-S84 PolarHBondContact O-OG 2.99Å; S80-S181 WeakPolarHBondContact CB-O 3.34Å; S80-F185 WeakPolarHBondContact OG-CA 3.31Å; S80-F185 WeakPolarHBondContact OG-CB 3.46Å
81L98.1Very high97.3Very high16 Ų1637.8 Ų37.88%0.08422%0.222CC..Hα-helixtrans-56.9-50.8168.2173.158000110.7L36 T39 I40 I43 C77 L83 S84 A85 L170 F185L36-L81 HydrophobicContact CD1-CD1 4.17Å; T39-L81 HydrophobicContact CG2-CD1 4.37Å; I40-L81 HydrophobicContact CG1-CD2 4.07Å; I43-L81 HydrophobicContact CD1-CD2 4.09Å; C77-L81 WeakPolarHBondContact O-CB 3.33Å; C77-L81 PolarHBondContact O-N 3.3Å; L81-L83 PolarHBondContact O-N 2.97Å; L81-S84 PolarHBondContact O-N 3.28Å; L81-S84 PolarHBondContact O-OG 2.98Å; L81-A85 VanDerWaalsContact O-CB 3.24Å; L81-A85 WeakPolarHBondContact O-CB 3.26Å; L81-A85 PolarHBondContact O-N 3.47Å; L81-L170 HydrophobicContact CD1-CD2 3.22Å; L81-F185 HydrophobicContact CB-CD2 3.69Å; L81-F185 HydrophobicContact CB-CE2 3.73Å; L81-F185 HydrophobicContact CB-CG 4.42Å; L81-F185 HydrophobicContact CB-CZ 4.48Å; L81-F185 HydrophobicContact CD1-CD2 4.49Å; L81-F185 HydrophobicContact CD1-CE1 4.31Å; L81-F185 HydrophobicContact CD1-CE2 3.99Å; L81-F185 HydrophobicContact CD1-CZ 3.89Å; L81-F185 HydrophobicContact CD2-CE2 4.38Å; L81-F185 HydrophobicContact CG-CE2 4.24Å
82Y97.5Very high97.3Very high120 Ų12035.9 Ų35.947%0.47121%0.206SC..Hα-helixtrans-59.9-49.8179.5177-91000111.7A78 I79 S84 A85 F86A78-Y82 WeakPolarHBondContact O-CB 3.47Å; A78-Y82 PolarHBondContact O-N 2.7Å; I79-Y82 PolarHBondContact O-N 3.33Å; Y82-S84 VanDerWaalsContact C-N 3.3Å; Y82-S84 PolarHBondContact O-N 2.89Å; Y82-A85 PolarHBondContact O-N 2.86Å; Y82-F86 HydrophobicContact CD2-CB 4.5Å; Y82-F86 AromaticContact CD2-CD2 3.42Å; Y82-F86 HydrophobicContact CD2-CD2 3.42Å; Y82-F86 VanDerWaalsContact CD2-CD2 3.42Å; Y82-F86 HydrophobicContact CD2-CE2 4Å; Y82-F86 HydrophobicContact CD2-CG 4.3Å; Y82-F86 HydrophobicContact CE2-CB 4.26Å; Y82-F86 AromaticContact CE2-CD2 3.74Å; Y82-F86 HydrophobicContact CE2-CD2 3.74Å; Y82-F86 HydrophobicContact CE2-CE2 4.44Å; Y82-F86 HydrophobicContact CE2-CG 4.23Å; Y82-F86 HydrophobicContact CG-CD2 4.06Å; Y82-F86 WeakPolarHBondContact O-CB 3.48Å; Y82-F86 WeakPolarHBondContact O-CD2 3.31Å; Y82-F86 PolarHBondContact O-N 3.33Å
83L97.3Very high97.1Very high77 Ų7736.1 Ų36.140%0.40321%0.207SC..Hα-helixtrans-65.8-30.2-178.5-67.8174.8000113I79 S80 L81 A87 S181I79-L83 HydrophobicContact CG2-CD1 3.93Å; I79-L83 HydrophobicContact CG2-CG 4.41Å; I79-L83 WeakPolarHBondContact O-CG 3.34Å; I79-L83 PolarHBondContact O-N 3.41Å; S80-L83 PolarHBondContact O-N 3.35Å; L81-L83 PolarHBondContact O-N 2.97Å; L83-A87 WeakPolarHBondContact O-CB 3.33Å; L83-S181 WeakPolarHBondContact CB-OG 3.28Å
84S97.7Very high96.8Very high0 Ų037 Ų370%021%0.208CC..Hα-helixtrans-78.6-41.1175.756.80000112.7S80 L81 Y82 N172 N178S80-S84 WeakPolarHBondContact O-CB 3.31Å; S80-S84 PolarHBondContact O-N 3.49Å; S80-S84 PolarHBondContact O-OG 2.99Å; L81-S84 PolarHBondContact O-N 3.28Å; L81-S84 PolarHBondContact O-OG 2.98Å; Y82-S84 VanDerWaalsContact C-N 3.3Å; Y82-S84 PolarHBondContact O-N 2.89Å; S84-N172 PolarHBondContact O-ND2 3.4Å; S84-N178 PolarHBondContact O-ND2 3.18Å
85A97.6Very high96.4Very high0 Ų036.6 Ų36.60%021%0.208CC..Hα-helixtrans-76.1-31-177.500000114.4T29 L36 L81 Y82 L170 N172T29-A85 PolarHBondContact OG1-O 3.34Å; L36-A85 HydrophobicContact CD1-CB 4.14Å; L36-A85 HydrophobicContact CD2-CB 4.23Å; L81-A85 VanDerWaalsContact O-CB 3.24Å; L81-A85 WeakPolarHBondContact O-CB 3.26Å; L81-A85 PolarHBondContact O-N 3.47Å; Y82-A85 PolarHBondContact O-N 2.86Å; A85-L170 HydrophobicContact CB-CB 4.41Å; A85-L170 HydrophobicContact CB-CD2 4.46Å; A85-L170 VanDerWaalsContact CB-O 3.26Å; A85-L170 WeakPolarHBondContact CB-O 3.35Å; A85-N172 PolarHBondContact O-ND2 2.93Å
86F97.3Very high95.9Very high50 Ų5038 Ų3822%0.21921%0.209CC..SBendtrans-120.510.6-166.2-64-62.1000115.2V27 V28 L36 Y82V27-F86 WeakPolarHBondContact CA-O 3.36Å; V27-F86 HydrophobicContact CG1-CB 3.75Å; V27-F86 HydrophobicContact CG1-CD1 3.56Å; V27-F86 HydrophobicContact CG1-CG 3.99Å; V28-F86 PolarHBondContact N-O 3.21Å; V28-F86 VanDerWaalsContact N-O 3.1Å; V28-F86 CarbonylContact O-C 3.53Å; V28-F86 WeakPolarHBondContact O-CA 3.44Å; L36-F86 HydrophobicContact CD2-CE1 4.08Å; L36-F86 HydrophobicContact CD2-CE2 4.36Å; L36-F86 HydrophobicContact CD2-CZ 3.64Å; Y82-F86 HydrophobicContact CD2-CB 4.5Å; Y82-F86 AromaticContact CD2-CD2 3.42Å; Y82-F86 HydrophobicContact CD2-CD2 3.42Å; Y82-F86 VanDerWaalsContact CD2-CD2 3.42Å; Y82-F86 HydrophobicContact CD2-CE2 4Å; Y82-F86 HydrophobicContact CD2-CG 4.3Å; Y82-F86 HydrophobicContact CE2-CB 4.26Å; Y82-F86 AromaticContact CE2-CD2 3.74Å; Y82-F86 HydrophobicContact CE2-CD2 3.74Å; Y82-F86 HydrophobicContact CE2-CE2 4.44Å; Y82-F86 HydrophobicContact CE2-CG 4.23Å; Y82-F86 HydrophobicContact CG-CD2 4.06Å; Y82-F86 WeakPolarHBondContact O-CB 3.48Å; Y82-F86 WeakPolarHBondContact O-CD2 3.31Å; Y82-F86 PolarHBondContact O-N 3.33Å
87A95.2Very high95.3Very high30 Ų3038.4 Ų38.425%0.24822%0.215CC..SBendtrans-102.5159.4175.700000112.8L83 P89 N172 N178L83-A87 WeakPolarHBondContact O-CB 3.33Å; A87-P89 WeakPolarHBondContact O-CD 3.42Å; A87-N172 PolarHBondContact O-ND2 3.46Å; A87-N178 HydrophobicContact CB-CB 4.45Å
88D96.3Very high94.8Very high20 Ų2041.3 Ų41.311%0.10724%0.238CC..  trans-59119.4164172.919.7000109.4G90 I91 R177 F298D88-G90 PolarHBondContact O-N 3.44Å; D88-G90 PolarHBondContact OD1-N 3.48Å; D88-I91 WeakPolarHBondContact OD1-CG1 3.38Å; D88-I91 PolarHBondContact OD1-N 3.01Å; D88-R177 WeakPolarHBondContact O-CB 3.42Å; D88-R177 VanDerWaalsContact OD2-CD 3.27Å; D88-R177 WeakPolarHBondContact OD2-CD 3.2Å; D88-R177 IonicContact OD2-NE 2.7Å; D88-F298 HydrophobicContact CB-CE2 4.11Å
89P96.7Very high94.3Very high1 Ų143.4 Ų43.41%0.00624%0.24CC..  trans-73.8-7.7178.432.2-37.9000113.7A87 I91 V160 C173 G175 R176 R177A87-P89 WeakPolarHBondContact O-CD 3.42Å; P89-I91 HydrophobicContact CG-CG1 4.01Å; P89-V160 HydrophobicContact CB-CG1 4.06Å; P89-V160 HydrophobicContact CG-CG1 4.25Å; P89-V160 HydrophobicContact CG-CG2 4.3Å; P89-C173 HydrophobicContact CB-CB 3.97Å; P89-C173 VanDerWaalsContact CB-O 3.28Å; P89-C173 WeakPolarHBondContact CB-O 3.05Å; P89-C173 HydrophobicContact CG-CB 3.92Å; P89-G175 CarbonylContact O-C 3.46Å; P89-G175 VanDerWaalsContact O-CA 3.32Å; P89-G175 WeakPolarHBondContact O-CA 3.48Å; P89-R176 PolarHBondContact O-N 3.47Å; P89-R176 VanDerWaalsContact O-N 3.16Å; P89-R177 PolarHBondContact O-N 2.98Å; P89-R177 VanDerWaalsContact O-N 3.14Å
90G96.1Very high93.5Very high3 Ų339.7 Ų39.73%0.03122%0.223CC..  trans112.144.2-170.400000111.6D88 L92 V160 E161D88-G90 PolarHBondContact O-N 3.44Å; D88-G90 PolarHBondContact OD1-N 3.48Å; G90-L92 PolarHBondContact O-N 3.39Å; G90-V160 CarbonylContact O-C 3.16Å; G90-V160 WeakPolarHBondContact O-CA 3.34Å; G90-E161 PolarHBondContact O-N 2.72Å
91I97Very high92.9Very high5 Ų545.2 Ų45.23%0.02625%0.248CC..BIsolated β-bridgetrans-64126.7177.9-64.4166.4000109.2N19 V28 D88 P89 N158 I296 F298N19-I91 WeakPolarHBondContact OD1-CD1 3.41Å; V28-I91 HydrophobicContact CG1-CD1 4.07Å; D88-I91 WeakPolarHBondContact OD1-CG1 3.38Å; D88-I91 PolarHBondContact OD1-N 3.01Å; P89-I91 HydrophobicContact CG-CG1 4.01Å; I91-N158 HydrophobicContact CG2-CB 3.94Å; I91-I296 HydrophobicContact CB-CD1 4.22Å; I91-I296 HydrophobicContact CG2-CD1 3.74Å; I91-I296 WeakPolarHBondContact O-CD1 3.24Å; I91-F298 HydrophobicContact CB-CZ 4.48Å; I91-F298 HydrophobicContact CD1-CZ 3.99Å
92L95.4Very high92.2Very high29 Ų2950.5 Ų50.515%0.15227%0.272CS..PPolyproline II helixtrans-82.8139.7174-65.7-179.6000110.6G90 I144 P147 C150 C159 E161G90-L92 PolarHBondContact O-N 3.39Å; L92-I144 HydrophobicContact CB-CD1 3.97Å; L92-I144 HydrophobicContact CD1-CD1 3.95Å; L92-P147 HydrophobicContact CD1-CG 3.91Å; L92-C150 HydrophobicContact CD1-CB 4.35Å; L92-C150 VanDerWaalsContact CD1-SG 3.58Å; L92-C159 HydrophobicContact CB-CB 4.26Å; L92-C159 HydrophobicContact CD1-CB 4.3Å; L92-C159 PolarHBondContact N-O 3.5Å; L92-E161 HydrophobicContact CD2-CB 4.05Å; L92-E161 HydrophobicContact CD2-CG 4.47Å; L92-E161 HydrophobicContact CG-CB 4.35Å
93P93.6Very high91.4Very high87 Ų8745.9 Ų45.957%0.56526%0.256SS*.PPolyproline II helixtrans-62.5141.7173.727.6-34000109.9I296P93-I296 HydrophobicContact CB-CD1 4.41Å; P93-I296 HydrophobicContact CB-CG1 4.5Å
94R92.3Very high90.5Very high46 Ų4645.7 Ų45.717%0.17426%0.255CS..PPolyproline II helixtrans-72.2152.5170.6-60.9-177.3174-137.72.8109.2N96 T141 C142 D157R94-N96 PolarHBondContact O-N 3.04Å; R94-T141 PolarHBondContact NH1-O 3.49Å; R94-C142 WeakPolarHBondContact CA-O 3.31Å; R94-C142 HydrophobicContact CG-CB 4.06Å; R94-D157 IonicContact CZ-OD2 3.56Å; R94-D157 PolarHBondContact NH2-O 3.38Å; R94-D157 IonicContact NH2-OD1 3.82Å; R94-D157 IonicContact NH2-OD2 2.65Å; R94-D157 PolarHBondContact NH2-OD2 2.99Å
95A88.8Confident89.7Confident18 Ų1852.9 Ų52.915%0.14928%0.282CS..PPolyproline II helixtrans-61.8133.2175.400000110.1Q99 C142 K143 I144A95-Q99 HydrophobicContact CB-CB 3.84Å; A95-C142 PolarHBondContact N-O 2.87Å; A95-K143 HydrophobicContact CB-CB 3.89Å; A95-K143 WeakPolarHBondContact CB-O 3.44Å; A95-I144 HydrophobicContact CB-CG2 4.14Å
96N87.3Confident88.9Confident75 Ų7558.5 Ų58.540%0.40131%0.307SS..  trans-72.3175.3173.866.533.1000111.1R94 A98 Q99 C100R94-N96 PolarHBondContact O-N 3.04Å; N96-A98 VanDerWaalsContact C-N 3.29Å; N96-A98 PolarHBondContact O-N 2.81Å; N96-A98 PolarHBondContact OD1-N 3.17Å; N96-A98 VanDerWaalsContact OD1-N 3.15Å; N96-Q99 PolarHBondContact O-N 3.21Å; N96-Q99 WeakPolarHBondContact OD1-CB 2.94Å; N96-Q99 VanDerWaalsContact OD1-CG 3.31Å; N96-Q99 WeakPolarHBondContact OD1-CG 3.22Å; N96-Q99 PolarHBondContact OD1-N 3.27Å; N96-C100 WeakPolarHBondContact O-CB 3.41Å; N96-C100 PolarHBondContact O-N 3.1Å; N96-C100 PolarHBondContact O-SG 2.67Å
97S85.4Confident87.9Confident71 Ų7156.3 Ų56.350%0.49730%0.297SS..Hα-helixtrans-57.1-42.8-177.5-55.80000112C100 E101 E305S97-C100 PolarHBondContact O-N 3.42Å; S97-E101 PolarHBondContact O-N 2.89Å; S97-E305 WeakPolarHBondContact CB-OE1 3.48Å; S97-E305 PolarHBondContact N-OE1 3.26Å; S97-E305 PolarHBondContact OG-OE1 3.42Å; S97-E305 PolarHBondContact OG-OE2 2.88Å
98A86.7Confident86.9Confident60 Ų6058.7 Ų58.750%0.49631%0.312SS..Hα-helixtrans-65.9-43.1179.600000112.8N96 C100 E101 E102N96-A98 VanDerWaalsContact C-N 3.29Å; N96-A98 PolarHBondContact O-N 2.81Å; N96-A98 PolarHBondContact OD1-N 3.17Å; N96-A98 VanDerWaalsContact OD1-N 3.15Å; A98-C100 VanDerWaalsContact C-N 3.35Å; A98-E101 PolarHBondContact O-N 2.99Å; A98-E102 WeakPolarHBondContact O-CB 3.49Å; A98-E102 PolarHBondContact O-N 3.27Å
99Q86.8Confident86.1Confident96 Ų9662 Ų6245%0.44934%0.342SS..Hα-helixtrans-66.2-37.9175.8-72.5172.5-39.800111.4A95 N96 E101 L103A95-Q99 HydrophobicContact CB-CB 3.84Å; N96-Q99 PolarHBondContact O-N 3.21Å; N96-Q99 WeakPolarHBondContact OD1-CB 2.94Å; N96-Q99 VanDerWaalsContact OD1-CG 3.31Å; N96-Q99 WeakPolarHBondContact OD1-CG 3.22Å; N96-Q99 PolarHBondContact OD1-N 3.27Å; Q99-E101 VanDerWaalsContact C-N 3.34Å; Q99-L103 WeakPolarHBondContact O-CB 3.4Å; Q99-L103 PolarHBondContact O-N 2.91Å
100C82.7Confident84.9Confident28 Ų2864.2 Ų64.219%0.18936%0.358CS..Hα-helixtrans-63.8-41.7173.7-70.70000111.3N96 S97 A98 L103 N104N96-C100 WeakPolarHBondContact O-CB 3.41Å; N96-C100 PolarHBondContact O-N 3.1Å; N96-C100 PolarHBondContact O-SG 2.67Å; S97-C100 PolarHBondContact O-N 3.42Å; A98-C100 VanDerWaalsContact C-N 3.35Å; C100-L103 PolarHBondContact O-N 3.44Å; C100-N104 WeakPolarHBondContact O-CB 3.35Å; C100-N104 PolarHBondContact O-N 3.45Å; C100-N104 PolarHBondContact O-ND2 2.7Å
101E84.4Confident83.2Confident117 Ų11767 Ų6755%0.54739%0.387SS..Hα-helixtrans-66.8-45.3177.3-172.2-176.8175.200112S97 A98 Q99 L103 N104 R105S97-E101 PolarHBondContact O-N 2.89Å; A98-E101 PolarHBondContact O-N 2.99Å; Q99-E101 VanDerWaalsContact C-N 3.34Å; E101-L103 VanDerWaalsContact C-N 3.34Å; E101-L103 PolarHBondContact O-N 2.85Å; E101-N104 PolarHBondContact O-N 3.42Å; E101-R105 WeakPolarHBondContact O-CG 3.47Å; E101-R105 PolarHBondContact O-N 3.35Å
102E84.9Confident81.5Confident127 Ų12770 Ų7059%0.59340%0.402SS*.Hα-helixtrans-59-45.7174-175.8177.3-17500111.6A98 N104 R105 F106A98-E102 WeakPolarHBondContact O-CB 3.49Å; A98-E102 PolarHBondContact O-N 3.27Å; E102-N104 PolarHBondContact O-N 2.89Å; E102-R105 WeakPolarHBondContact O-CB 3.39Å; E102-R105 PolarHBondContact O-N 2.93Å; E102-F106 PolarHBondContact O-N 3.32Å
103L80.2Confident79.5Confident23 Ų2374.8 Ų74.812%0.1242%0.419CS..Hα-helixtrans-61-46.3175.5178.167.4000111.3Q99 C100 E101 R105 F106 L107 F138 Y145Q99-L103 WeakPolarHBondContact O-CB 3.4Å; Q99-L103 PolarHBondContact O-N 2.91Å; C100-L103 PolarHBondContact O-N 3.44Å; E101-L103 VanDerWaalsContact C-N 3.34Å; E101-L103 PolarHBondContact O-N 2.85Å; L103-R105 VanDerWaalsContact C-N 3.27Å; L103-R105 PolarHBondContact O-N 3.21Å; L103-F106 PolarHBondContact O-N 3.16Å; L103-L107 HydrophobicContact CD1-CD1 4.19Å; L103-L107 HydrophobicContact CD1-CD2 4.5Å; L103-L107 HydrophobicContact CD1-CG 4.11Å; L103-L107 HydrophobicContact CD2-CD1 4.46Å; L103-L107 HydrophobicContact CG-CD1 3.95Å; L103-L107 HydrophobicContact CG-CG 4.24Å; L103-L107 WeakPolarHBondContact O-CB 3.28Å; L103-L107 VanDerWaalsContact O-CG 3.24Å; L103-L107 WeakPolarHBondContact O-CG 3.31Å; L103-L107 PolarHBondContact O-N 2.98Å; L103-F138 HydrophobicContact CD2-CD2 4.29Å; L103-F138 HydrophobicContact CD2-CE2 3.24Å; L103-F138 HydrophobicContact CD2-CZ 3.4Å; L103-F138 HydrophobicContact CG-CE2 4.5Å; L103-Y145 HydrophobicContact CD1-CD2 4.32Å; L103-Y145 HydrophobicContact CD1-CE2 3.56Å
104N78.4Confident77.8Confident73 Ų7373.3 Ų73.339%0.3941%0.409SS..Hα-helixtrans-61.9-37.4178.3-73.8-25.1000111.6C100 E101 E102 S108 L120C100-N104 WeakPolarHBondContact O-CB 3.35Å; C100-N104 PolarHBondContact O-N 3.45Å; C100-N104 PolarHBondContact O-ND2 2.7Å; E101-N104 PolarHBondContact O-N 3.42Å; E102-N104 PolarHBondContact O-N 2.89Å; N104-S108 VanDerWaalsContact O-CB 3.3Å; N104-S108 WeakPolarHBondContact O-CB 3.49Å; N104-S108 PolarHBondContact O-N 2.85Å; N104-S108 PolarHBondContact O-OG 3.49Å; N104-L120 HydrophobicContact CB-CD1 4.27Å; N104-L120 WeakPolarHBondContact OD1-CD1 3.46Å
105R81.2Confident75.7Confident151 Ų15175.6 Ų75.657%0.5743%0.429SS*.Hα-helixtrans-62.7-47.8172.8-75.9-176.7-77.2162.7-5.8111.4E101 E102 L103 L107 S108 A109E101-R105 WeakPolarHBondContact O-CG 3.47Å; E101-R105 PolarHBondContact O-N 3.35Å; E102-R105 WeakPolarHBondContact O-CB 3.39Å; E102-R105 PolarHBondContact O-N 2.93Å; L103-R105 VanDerWaalsContact C-N 3.27Å; L103-R105 PolarHBondContact O-N 3.21Å; R105-L107 PolarHBondContact O-N 2.98Å; R105-S108 PolarHBondContact O-N 3.01Å; R105-A109 WeakPolarHBondContact O-CB 3.18Å; R105-A109 PolarHBondContact O-N 3.2Å
106F79.8Confident74Confident119 Ų11984.4 Ų84.452%0.52246%0.464SS..Hα-helixtrans-59.6-46.1176.1175.4-97.6000112.3E102 L103 S108 A109 S110E102-F106 PolarHBondContact O-N 3.32Å; L103-F106 PolarHBondContact O-N 3.16Å; F106-S108 PolarHBondContact O-N 3.48Å; F106-A109 PolarHBondContact O-N 2.88Å; F106-S110 WeakPolarHBondContact O-CB 3.15Å; F106-S110 PolarHBondContact O-N 3.12Å; F106-S110 PolarHBondContact O-OG 3.33Å
107L75.6Confident72.5Confident3 Ų389 Ų892%0.01648%0.481CS..Hα-helixtrans-64.3-41.3178.7-67179.6000112.1L103 R105 A109 S110 L120 A122L103-L107 HydrophobicContact CD1-CD1 4.19Å; L103-L107 HydrophobicContact CD1-CD2 4.5Å; L103-L107 HydrophobicContact CD1-CG 4.11Å; L103-L107 HydrophobicContact CD2-CD1 4.46Å; L103-L107 HydrophobicContact CG-CD1 3.95Å; L103-L107 HydrophobicContact CG-CG 4.24Å; L103-L107 WeakPolarHBondContact O-CB 3.28Å; L103-L107 VanDerWaalsContact O-CG 3.24Å; L103-L107 WeakPolarHBondContact O-CG 3.31Å; L103-L107 PolarHBondContact O-N 2.98Å; R105-L107 PolarHBondContact O-N 2.98Å; L107-A109 VanDerWaalsContact C-N 3.35Å; L107-S110 PolarHBondContact O-N 3.27Å; L107-S110 PolarHBondContact O-OG 3.32Å; L107-L120 HydrophobicContact CB-CD2 4.22Å; L107-L120 HydrophobicContact CD1-CB 4.11Å; L107-A122 HydrophobicContact CD1-CB 3.95Å; L107-A122 HydrophobicContact CD2-CB 3.74Å; L107-A122 HydrophobicContact CG-CB 4.48Å
108S75.9Confident71.1Confident80 Ų8088.3 Ų88.356%0.55949%0.485SS*.Hα-helixtrans-64.8-39.6175.7-560000111.7N104 R105 F106N104-S108 VanDerWaalsContact O-CB 3.3Å; N104-S108 WeakPolarHBondContact O-CB 3.49Å; N104-S108 PolarHBondContact O-N 2.85Å; N104-S108 PolarHBondContact O-OG 3.49Å; R105-S108 PolarHBondContact O-N 3.01Å; F106-S108 PolarHBondContact O-N 3.48Å
109A78Confident69.7Low89 Ų8989.3 Ų89.374%0.73648%0.484SS*.Hα-helixtrans-70.7-33.317800000113.2R105 F106 L107 G111R105-A109 WeakPolarHBondContact O-CB 3.18Å; R105-A109 PolarHBondContact O-N 3.2Å; F106-A109 PolarHBondContact O-N 2.88Å; L107-A109 VanDerWaalsContact C-N 3.35Å; A109-G111 PolarHBondContact O-N 2.85Å
110S71.7Confident68.3Low48 Ų4887.2 Ų87.234%0.33648%0.476SS..THydrogen-bonded Turntrans-71.4-8.6179.163.70000114.5F106 L107 I112F106-S110 WeakPolarHBondContact O-CB 3.15Å; F106-S110 PolarHBondContact O-N 3.12Å; F106-S110 PolarHBondContact O-OG 3.33Å; L107-S110 PolarHBondContact O-N 3.27Å; L107-S110 PolarHBondContact O-OG 3.32Å; S110-I112 PolarHBondContact O-N 3.45Å
111G61.1Low67.4Low62 Ų6289 Ų8964%0.63949%0.486SS*.THydrogen-bonded Turntrans73.36.5-179.800000114.6A109 Y113A109-G111 PolarHBondContact O-N 2.85Å; G111-Y113 PolarHBondContact O-N 3.47Å; G111-Y113 VanDerWaalsContact O-N 3.09Å
112I61.3Low66.8Low67 Ų6783.8 Ų83.834%0.34446%0.463SS..  trans-92.259.8-177.2-54.9164.3000108.7S110 V121 P123S110-I112 PolarHBondContact O-N 3.45Å; I112-V121 WeakPolarHBondContact CG2-O 3.18Å; I112-P123 HydrophobicContact CD1-CB 3.8Å; I112-P123 HydrophobicContact CD1-CG 3.45Å; I112-P123 VanDerWaalsContact CD1-CG 3.45Å; I112-P123 HydrophobicContact CG2-CB 4.43Å
113Y54.4Low66.3Low130 Ų13079.4 Ų79.451%0.5145%0.445SS..EExtended strand (participates in β ladder)trans-93.8128.6167.9179.6-114.6000108.1G111 P115 L120G111-Y113 PolarHBondContact O-N 3.47Å; G111-Y113 VanDerWaalsContact O-N 3.09Å; Y113-P115 HydrophobicContact CD1-CB 4.13Å; Y113-P115 HydrophobicContact CD1-CG 3.75Å; Y113-P115 VanDerWaalsContact CE1-CA 3.48Å; Y113-P115 HydrophobicContact CE1-CB 3.69Å; Y113-P115 HydrophobicContact CE1-CG 3.85Å; Y113-P115 VanDerWaalsContact O-CD 3.29Å; Y113-P115 WeakPolarHBondContact O-CD 3.34Å; Y113-L120 HydrophobicContact CD2-CD2 4Å
114V56.6Low66.3Low57 Ų5781.9 Ų81.935%0.34546%0.463SS..EExtended strand (participates in β ladder)trans-102.994.6173.7-174.70000107.8K116 K117 V121V114-K116 PolarHBondContact O-N 3.17Å; V114-K116 VanDerWaalsContact O-N 3.13Å; V114-K117 PolarHBondContact O-N 2.89Å; V114-V121 HydrophobicContact CB-CG2 4.13Å; V114-V121 HydrophobicContact CG2-CB 4Å; V114-V121 HydrophobicContact CG2-CG2 3.76Å
115P47.9Very low66.6Low94 Ų9483 Ų8361%0.6147%0.465SS*.G310 helixtrans-62-30.8-169.7-18.129.6000112.7Y113 K117 G118Y113-P115 HydrophobicContact CD1-CB 4.13Å; Y113-P115 HydrophobicContact CD1-CG 3.75Å; Y113-P115 VanDerWaalsContact CE1-CA 3.48Å; Y113-P115 HydrophobicContact CE1-CB 3.69Å; Y113-P115 HydrophobicContact CE1-CG 3.85Å; Y113-P115 VanDerWaalsContact O-CD 3.29Å; Y113-P115 WeakPolarHBondContact O-CD 3.34Å; P115-K117 PolarHBondContact O-N 2.7Å; P115-G118 PolarHBondContact O-N 3.02Å
116K53.7Low66.7Low203 Ų20379.4 Ų79.488%0.88346%0.46SS*.G310 helixtrans-66.9-11.7-171.1-137178.7-175.1179.70114.5V114V114-K116 PolarHBondContact O-N 3.17Å; V114-K116 VanDerWaalsContact O-N 3.13Å
117K55.8Low66.8Low171 Ų17175 Ų7574%0.74345%0.445SS*.G310 helixtrans-121.2-5.2178.2-71.4-172.2176.6-178.30114.2V114 P115 V119V114-K117 PolarHBondContact O-N 2.89Å; P115-K117 PolarHBondContact O-N 2.7Å; K117-V119 HydrophobicContact CB-CB 4.39Å; K117-V119 WeakPolarHBondContact O-CG2 3.47Å; K117-V119 PolarHBondContact O-N 2.66Å
118G55.4Low67.2Low57 Ų5781.3 Ų81.359%0.58848%0.478SS*.THydrogen-bonded Turntrans58.624-172.700000113.6P115P115-G118 PolarHBondContact O-N 3.02Å
119V58.1Low67.2Low80 Ų8080.9 Ų80.949%0.48547%0.467SS..EExtended strand (participates in β ladder)trans-126.1126.8-175.4174.30000108.8K117 V121K117-V119 HydrophobicContact CB-CB 4.39Å; K117-V119 WeakPolarHBondContact O-CG2 3.47Å; K117-V119 PolarHBondContact O-N 2.66Å; V119-V121 PolarHBondContact O-N 3.19Å
120L57.3Low66.9Low53 Ų5383.2 Ų83.228%0.27747%0.467SS..EExtended strand (participates in β ladder)trans-63.1116.5167.4-72.1166000108.8N104 L107 Y113N104-L120 HydrophobicContact CB-CD1 4.27Å; N104-L120 WeakPolarHBondContact OD1-CD1 3.46Å; L107-L120 HydrophobicContact CB-CD2 4.22Å; L107-L120 HydrophobicContact CD1-CB 4.11Å; Y113-L120 HydrophobicContact CD2-CD2 4Å
121V63.3Low67Low65 Ų6584.4 Ų84.439%0.39449%0.486SS..  trans-100.4104.1175.6-1770000107.3I112 V114 V119I112-V121 WeakPolarHBondContact CG2-O 3.18Å; V114-V121 HydrophobicContact CB-CG2 4.13Å; V114-V121 HydrophobicContact CG2-CB 4Å; V114-V121 HydrophobicContact CG2-CG2 3.76Å; V119-V121 PolarHBondContact O-N 3.19Å
122A72.6Confident67.6Low8 Ų885.7 Ų85.77%0.06648%0.476CS..PPolyproline II helixtrans-62.7119.8169.600000109.9L107 F138 Y145L107-A122 HydrophobicContact CD1-CB 3.95Å; L107-A122 HydrophobicContact CD2-CB 3.74Å; L107-A122 HydrophobicContact CG-CB 4.48Å; A122-F138 HydrophobicContact CB-CB 3.46Å; A122-F138 VanDerWaalsContact CB-CB 3.46Å; A122-F138 HydrophobicContact CB-CD1 3.55Å; A122-F138 HydrophobicContact CB-CD2 3.84Å; A122-F138 HydrophobicContact CB-CE1 4.18Å; A122-F138 HydrophobicContact CB-CE2 4.47Å; A122-F138 HydrophobicContact CB-CG 3.33Å; A122-Y145 HydrophobicContact CB-CE1 4.02Å; A122-Y145 WeakPolarHBondContact CB-OH 3.43Å
123P75Confident68.6Low34 Ų3487.8 Ų87.822%0.22149%0.485CS..PPolyproline II helixtrans-64.5143-179.931.7-39.6000109.6I112 Y145I112-P123 HydrophobicContact CD1-CB 3.8Å; I112-P123 HydrophobicContact CD1-CG 3.45Å; I112-P123 VanDerWaalsContact CD1-CG 3.45Å; I112-P123 HydrophobicContact CG2-CB 4.43Å; P123-Y145 WeakPolarHBondContact O-CE1 3.35Å
124P79.8Confident69.8Low76 Ų7682.3 Ų82.349%0.49447%0.465SS..PPolyproline II helixtrans-66.6147.216533.4-34.8000109.1L135 I136P124-L135 HydrophobicContact CB-CD1 3.8Å; P124-L135 HydrophobicContact CB-CD2 4.12Å; P124-L135 HydrophobicContact CB-CG 3.94Å; P124-L135 HydrophobicContact CG-CD1 4.38Å; P124-I136 WeakPolarHBondContact CA-O 3.16Å; P124-I136 WeakPolarHBondContact CB-O 3.14Å
125F83.4Confident71.1Confident96 Ų9681.5 Ų81.542%0.42146%0.459SS..EExtended strand (participates in β ladder)trans-128.6161.9172.865.5-92.6000110A127 I136 Y145F125-A127 HydrophobicContact CE2-CB 4.17Å; F125-I136 HydrophobicContact CD1-CB 4.23Å; F125-I136 HydrophobicContact CD1-CG2 4.24Å; F125-I136 HydrophobicContact CD2-CB 4.12Å; F125-I136 HydrophobicContact CD2-CG1 4.27Å; F125-I136 HydrophobicContact CE1-CB 3.96Å; F125-I136 HydrophobicContact CE1-CG2 3.56Å; F125-I136 HydrophobicContact CE2-CB 3.82Å; F125-I136 HydrophobicContact CE2-CG1 3.77Å; F125-I136 HydrophobicContact CE2-CG2 4.08Å; F125-I136 HydrophobicContact CG-CB 4.32Å; F125-I136 HydrophobicContact CZ-CB 3.74Å; F125-I136 HydrophobicContact CZ-CG1 4.04Å; F125-I136 HydrophobicContact CZ-CG2 3.47Å; F125-I136 VanDerWaalsContact CZ-CG2 3.47Å; F125-I136 PolarHBondContact N-O 3.23Å; F125-I136 PolarHBondContact O-N 3.49Å; F125-Y145 HydrophobicContact CD1-CD1 4.03Å; F125-Y145 AromaticContact CD1-CE1 3.9Å; F125-Y145 HydrophobicContact CD1-CE1 3.9Å; F125-Y145 AromaticContact CE1-CD1 3.5Å; F125-Y145 HydrophobicContact CE1-CD1 3.5Å; F125-Y145 HydrophobicContact CE1-CD2 4.26Å; F125-Y145 AromaticContact CE1-CE1 3.77Å; F125-Y145 HydrophobicContact CE1-CE1 3.77Å; F125-Y145 HydrophobicContact CE1-CE2 4.48Å; F125-Y145 AromaticContact CE1-CG 3.76Å; F125-Y145 HydrophobicContact CE1-CG 3.76Å
126T83.3Confident73Confident76 Ų7677.4 Ų77.447%0.46643%0.432SS..EExtended strand (participates in β ladder)trans-93133.717549.50000110.1M133 V134 L135T126-M133 HydrophobicContact CG2-CG 4.02Å; T126-M133 HydrophobicContact CG2-SD 3.95Å; T126-V134 WeakPolarHBondContact CA-O 3.42Å; T126-L135 HydrophobicContact CG2-CD1 4.29Å
127A83.3Confident74.6Confident26 Ų2672 Ų7222%0.21541%0.409CS..EExtended strand (participates in β ladder)trans-120.8162.417100000109.5F125 M133 V134 I136F125-A127 HydrophobicContact CE2-CB 4.17Å; A127-M133 CarbonylContact O-C 3.6Å; A127-M133 WeakPolarHBondContact O-CA 3.38Å; A127-V134 HydrophobicContact CB-CG2 4.28Å; A127-V134 PolarHBondContact N-O 2.59Å; A127-V134 WeakPolarHBondContact O-CG2 3.33Å; A127-V134 PolarHBondContact O-N 2.97Å; A127-I136 HydrophobicContact CB-CD1 4.19Å; A127-I136 HydrophobicContact CB-CG1 3.61Å
128I83.4Confident76.1Confident136 Ų13665.6 Ų65.670%0.69738%0.381SS*.EExtended strand (participates in β ladder)trans-100.7114.6169.6-61.2173.6000107.3Q132I128-Q132 WeakPolarHBondContact CA-O 3.28Å
129E76.3Confident77.8Confident70 Ų7062.9 Ų62.933%0.32735%0.353SS..EExtended strand (participates in β ladder)trans-121.2131170-75-164-158.700109.1G131 Q132 V134 A148E129-G131 PolarHBondContact O-N 3.45Å; E129-G131 VanDerWaalsContact O-N 3.09Å; E129-Q132 PolarHBondContact N-O 3.35Å; E129-Q132 PolarHBondContact O-N 2.95Å; E129-V134 HydrophobicContact CB-CG2 3.98Å; E129-V134 HydrophobicContact CG-CG2 4.02Å; E129-A148 HydrophobicContact CB-CB 4.36Å; E129-A148 HydrophobicContact CG-CB 4.15Å; E129-A148 WeakPolarHBondContact OE1-CB 3.37Å; E129-A148 PolarHBondContact OE1-N 2.86Å; E129-A148 WeakPolarHBondContact OE2-CB 3.14Å
130D71.8Confident79.2Confident139 Ų13962.6 Ų62.674%0.74335%0.354SS*.THydrogen-bonded Turntrans50.234-177.1-61.6-30.5000114.1Q132D130-Q132 VanDerWaalsContact C-N 3.26Å; D130-Q132 PolarHBondContact O-N 3.45Å
131G73.5Confident80.8Confident72 Ų7262.9 Ų62.974%0.74236%0.358SS*.THydrogen-bonded Turntrans76.37.6-178.200000114.8E129E129-G131 PolarHBondContact O-N 3.45Å; E129-G131 VanDerWaalsContact O-N 3.09Å
132Q74Confident82.2Confident90 Ų9059.8 Ų59.842%0.42134%0.34SS..EExtended strand (participates in β ladder)trans-111.4139.9177.2-63.3-174.1-23.500111I128 E129 D130 V134 P268I128-Q132 WeakPolarHBondContact CA-O 3.28Å; E129-Q132 PolarHBondContact N-O 3.35Å; E129-Q132 PolarHBondContact O-N 2.95Å; D130-Q132 VanDerWaalsContact C-N 3.26Å; D130-Q132 PolarHBondContact O-N 3.45Å; Q132-V134 PolarHBondContact O-N 3.01Å; Q132-P268 VanDerWaalsContact OE1-CB 3.26Å
133M81.2Confident83.1Confident110 Ų11064 Ų6454%0.54236%0.356SS..EExtended strand (participates in β ladder)trans-75120.3171.8-170180-65.700109.3T126 A127 L265T126-M133 HydrophobicContact CG2-CG 4.02Å; T126-M133 HydrophobicContact CG2-SD 3.95Å; A127-M133 CarbonylContact O-C 3.6Å; A127-M133 WeakPolarHBondContact O-CA 3.38Å; M133-L265 HydrophobicContact CB-CD2 4.29Å; M133-L265 HydrophobicContact CG-CD2 3.91Å; M133-L265 HydrophobicContact SD-CD2 3.91Å
134V81.2Confident83.8Confident15 Ų1563.7 Ų63.79%0.09135%0.353CS..EExtended strand (participates in β ladder)trans-123.4142.2-177.3-66.20000110.5T126 A127 E129 Q132 I136 A148T126-V134 WeakPolarHBondContact CA-O 3.42Å; A127-V134 HydrophobicContact CB-CG2 4.28Å; A127-V134 PolarHBondContact N-O 2.59Å; A127-V134 WeakPolarHBondContact O-CG2 3.33Å; A127-V134 PolarHBondContact O-N 2.97Å; E129-V134 HydrophobicContact CB-CG2 3.98Å; E129-V134 HydrophobicContact CG-CG2 4.02Å; Q132-V134 PolarHBondContact O-N 3.01Å; V134-I136 HydrophobicContact CG2-CD1 4.15Å; V134-I136 PolarHBondContact O-N 3.12Å; V134-A148 HydrophobicContact CB-CB 4.11Å; V134-A148 HydrophobicContact CG1-CB 4.26Å; V134-A148 HydrophobicContact CG2-CB 3.78Å
135L83.8Confident84.3Confident40 Ų4062.8 Ų62.821%0.20934%0.34CS..EExtended strand (participates in β ladder)trans-83.2113.2174.9-168.876000111.2P124 T126 K137 L265 H266P124-L135 HydrophobicContact CB-CD1 3.8Å; P124-L135 HydrophobicContact CB-CD2 4.12Å; P124-L135 HydrophobicContact CB-CG 3.94Å; P124-L135 HydrophobicContact CG-CD1 4.38Å; T126-L135 HydrophobicContact CG2-CD1 4.29Å; L135-K137 HydrophobicContact CD2-CG 4.21Å; L135-K137 HydrophobicContact CG-CG 4.48Å; L135-L265 HydrophobicContact CB-CB 4.38Å; L135-L265 PolarHBondContact N-O 3.49Å; L135-H266 WeakPolarHBondContact CD2-CE1 3.34Å
136I86.7Confident84.7Confident9 Ų960.9 Ų60.95%0.04633%0.33CS..EExtended strand (participates in β ladder)trans-83.4118.1173.6-58.9-57000109.2P124 F125 A127 V134 Y145 R146 A148P124-I136 WeakPolarHBondContact CA-O 3.16Å; P124-I136 WeakPolarHBondContact CB-O 3.14Å; F125-I136 HydrophobicContact CD1-CB 4.23Å; F125-I136 HydrophobicContact CD1-CG2 4.24Å; F125-I136 HydrophobicContact CD2-CB 4.12Å; F125-I136 HydrophobicContact CD2-CG1 4.27Å; F125-I136 HydrophobicContact CE1-CB 3.96Å; F125-I136 HydrophobicContact CE1-CG2 3.56Å; F125-I136 HydrophobicContact CE2-CB 3.82Å; F125-I136 HydrophobicContact CE2-CG1 3.77Å; F125-I136 HydrophobicContact CE2-CG2 4.08Å; F125-I136 HydrophobicContact CG-CB 4.32Å; F125-I136 HydrophobicContact CZ-CB 3.74Å; F125-I136 HydrophobicContact CZ-CG1 4.04Å; F125-I136 HydrophobicContact CZ-CG2 3.47Å; F125-I136 VanDerWaalsContact CZ-CG2 3.47Å; F125-I136 PolarHBondContact N-O 3.23Å; F125-I136 PolarHBondContact O-N 3.49Å; A127-I136 HydrophobicContact CB-CD1 4.19Å; A127-I136 HydrophobicContact CB-CG1 3.61Å; V134-I136 HydrophobicContact CG2-CD1 4.15Å; V134-I136 PolarHBondContact O-N 3.12Å; I136-Y145 HydrophobicContact CG2-CD1 4.08Å; I136-Y145 HydrophobicContact CG2-CG 4.36Å; I136-R146 WeakPolarHBondContact CG2-O 3.46Å; I136-A148 HydrophobicContact CD1-CB 4.39Å
137K86.9Confident85Confident90 Ų9059.8 Ų59.839%0.39132%0.324SS..  trans-104.7143.7-179.9-64.8-174.7-179.6-174.60110.7L135 R146 H266L135-K137 HydrophobicContact CD2-CG 4.21Å; L135-K137 HydrophobicContact CG-CG 4.48Å; K137-R146 WeakPolarHBondContact O-CB 2.93Å; K137-R146 WeakPolarHBondContact O-CG 3.39Å; K137-R146 PolarHBondContact O-N 2.86Å; K137-H266 WeakPolarHBondContact CE-CE1 3.27Å; K137-H266 VanDerWaalsContact CE-ND1 3.27Å; K137-H266 WeakPolarHBondContact CE-ND1 3.49Å; K137-H266 PolarHBondContact NZ-CE1 2.94Å; K137-H266 PolarHBondContact NZ-ND1 3.29Å; K137-H266 VanDerWaalsContact NZ-ND1 3.15Å
138F88Confident85.1Confident36 Ų3659.3 Ų59.316%0.15832%0.32CS..EExtended strand (participates in β ladder)trans-80.1139.7172.6-175.5-112.8000112.5L103 A122 K143 I144 Y145L103-F138 HydrophobicContact CD2-CD2 4.29Å; L103-F138 HydrophobicContact CD2-CE2 3.24Å; L103-F138 HydrophobicContact CD2-CZ 3.4Å; L103-F138 HydrophobicContact CG-CE2 4.5Å; A122-F138 HydrophobicContact CB-CB 3.46Å; A122-F138 VanDerWaalsContact CB-CB 3.46Å; A122-F138 HydrophobicContact CB-CD1 3.55Å; A122-F138 HydrophobicContact CB-CD2 3.84Å; A122-F138 HydrophobicContact CB-CE1 4.18Å; A122-F138 HydrophobicContact CB-CE2 4.47Å; A122-F138 HydrophobicContact CB-CG 3.33Å; F138-K143 HydrophobicContact CE1-CD 4.47Å; F138-K143 VanDerWaalsContact CE2-C 3.41Å; F138-K143 HydrophobicContact CZ-CB 4.35Å; F138-K143 HydrophobicContact CZ-CD 4.04Å; F138-I144 VanDerWaalsContact CD2-C 3.48Å; F138-I144 VanDerWaalsContact CD2-O 3.25Å; F138-I144 WeakPolarHBondContact CD2-O 3.27Å; F138-Y145 HydrophobicContact CB-CD1 4.02Å; F138-Y145 HydrophobicContact CB-CE1 3.98Å; F138-Y145 HydrophobicContact CD2-CD1 4.19Å; F138-Y145 HydrophobicContact CD2-CD2 4.38Å; F138-Y145 HydrophobicContact CD2-CE1 4.31Å; F138-Y145 HydrophobicContact CD2-CE2 4.5Å; F138-Y145 HydrophobicContact CD2-CG 4.24Å
139C91.2Very high85.3Confident0 Ų056.7 Ų56.70%030%0.304CS..EExtended strand (participates in β ladder)trans-96.5107.6168.8-166.40000110.1T141 C142 K143 I144 R146 H152 C159C139-T141 PolarHBondContact O-N 3.47Å; C139-C142 HydrophobicContact CB-CB 4.12Å; C139-C142 PolarHBondContact SG-N 3.15Å; C139-K143 VanDerWaalsContact O-CA 3.24Å; C139-K143 WeakPolarHBondContact O-CA 3.33Å; C139-K143 PolarHBondContact O-N 3.13Å; C139-I144 HydrophobicContact CB-CG1 4.2Å; C139-I144 PolarHBondContact N-O 2.97Å; C139-R146 HydrophobicContact CB-CG 3.97Å; C139-R146 VanDerWaalsContact CB-NE 3.35Å; C139-R146 PolarHBondContact SG-NH2 3.33Å; C139-H152 PolarHBondContact SG-ND1 3.37Å; C139-C159 PolarHBondContact SG-SG 3.41Å
140S88.1Confident86Confident74 Ų7453.9 Ų53.952%0.51729%0.291SS..THydrogen-bonded Turntrans-63.8-26.7177.854.20000113.9K143S140-K143 VanDerWaalsContact O-CD 3.24Å; S140-K143 WeakPolarHBondContact O-CD 3.29Å; S140-K143 WeakPolarHBondContact O-CE 3.36Å; S140-K143 PolarHBondContact O-NZ 3Å
141T91Very high87.1Confident58 Ų5847.9 Ų47.936%0.35626%0.26SS..THydrogen-bonded Turntrans-80.7-50.7179.2-50.30000112.4R94 C139 K143 D157R94-T141 PolarHBondContact NH1-O 3.49Å; C139-T141 PolarHBondContact O-N 3.47Å; T141-K143 VanDerWaalsContact C-N 3.31Å; T141-D157 WeakPolarHBondContact CG2-OD1 3.32Å
142C92.6Very high88.1Confident1 Ų146.2 Ų46.21%0.00723%0.233CC..THydrogen-bonded Turntrans-83.1-9.9-179.5-63.60000113.3R94 A95 C139 I144 H152 C159R94-C142 WeakPolarHBondContact CA-O 3.31Å; R94-C142 HydrophobicContact CG-CB 4.06Å; A95-C142 PolarHBondContact N-O 2.87Å; C139-C142 HydrophobicContact CB-CB 4.12Å; C139-C142 PolarHBondContact SG-N 3.15Å; C142-I144 VanDerWaalsContact C-N 3.28Å; C142-I144 HydrophobicContact CB-CD1 4.24Å; C142-I144 HydrophobicContact CB-CG1 3.93Å; C142-I144 PolarHBondContact O-N 3.49Å; C142-H152 PolarHBondContact SG-ND1 2.91Å; C142-H152 VanDerWaalsContact SG-ND1 3.42Å; C142-C159 PolarHBondContact SG-N 2.96Å; C142-C159 VanDerWaalsContact SG-N 3.44Å
143K90.1Very high89.2Confident95 Ų9542.2 Ų42.241%0.41322%0.215SC..THydrogen-bonded Turntrans57.933.8-177.7-57.7-62.5-174.9-164.10114.5A95 F138 C139 S140 T141A95-K143 HydrophobicContact CB-CB 3.89Å; A95-K143 WeakPolarHBondContact CB-O 3.44Å; F138-K143 HydrophobicContact CE1-CD 4.47Å; F138-K143 VanDerWaalsContact CE2-C 3.41Å; F138-K143 HydrophobicContact CZ-CB 4.35Å; F138-K143 HydrophobicContact CZ-CD 4.04Å; C139-K143 VanDerWaalsContact O-CA 3.24Å; C139-K143 WeakPolarHBondContact O-CA 3.33Å; C139-K143 PolarHBondContact O-N 3.13Å; S140-K143 VanDerWaalsContact O-CD 3.24Å; S140-K143 WeakPolarHBondContact O-CD 3.29Å; S140-K143 WeakPolarHBondContact O-CE 3.36Å; S140-K143 PolarHBondContact O-NZ 3Å; T141-K143 VanDerWaalsContact C-N 3.31Å
144I90.1Very high89.8Confident29 Ų2941.9 Ų41.915%0.14922%0.224CC..EExtended strand (participates in β ladder)trans-122.8149.1178.762175.5000111.3L92 A95 F138 C139 C142 R146 C159L92-I144 HydrophobicContact CB-CD1 3.97Å; L92-I144 HydrophobicContact CD1-CD1 3.95Å; A95-I144 HydrophobicContact CB-CG2 4.14Å; F138-I144 VanDerWaalsContact CD2-C 3.48Å; F138-I144 VanDerWaalsContact CD2-O 3.25Å; F138-I144 WeakPolarHBondContact CD2-O 3.27Å; C139-I144 HydrophobicContact CB-CG1 4.2Å; C139-I144 PolarHBondContact N-O 2.97Å; C142-I144 VanDerWaalsContact C-N 3.28Å; C142-I144 HydrophobicContact CB-CD1 4.24Å; C142-I144 HydrophobicContact CB-CG1 3.93Å; C142-I144 PolarHBondContact O-N 3.49Å; I144-R146 PolarHBondContact O-N 2.89Å; I144-C159 HydrophobicContact CD1-CB 3.89Å
145Y90.1Very high90.5Very high57 Ų5743.6 Ų43.622%0.22423%0.234CC..EExtended strand (participates in β ladder)trans-72120.4157.1-75.1-75.5000108.4L103 A122 P123 F125 I136 F138 P147L103-Y145 HydrophobicContact CD1-CD2 4.32Å; L103-Y145 HydrophobicContact CD1-CE2 3.56Å; A122-Y145 HydrophobicContact CB-CE1 4.02Å; A122-Y145 WeakPolarHBondContact CB-OH 3.43Å; P123-Y145 WeakPolarHBondContact O-CE1 3.35Å; F125-Y145 HydrophobicContact CD1-CD1 4.03Å; F125-Y145 AromaticContact CD1-CE1 3.9Å; F125-Y145 HydrophobicContact CD1-CE1 3.9Å; F125-Y145 AromaticContact CE1-CD1 3.5Å; F125-Y145 HydrophobicContact CE1-CD1 3.5Å; F125-Y145 HydrophobicContact CE1-CD2 4.26Å; F125-Y145 AromaticContact CE1-CE1 3.77Å; F125-Y145 HydrophobicContact CE1-CE1 3.77Å; F125-Y145 HydrophobicContact CE1-CE2 4.48Å; F125-Y145 AromaticContact CE1-CG 3.76Å; F125-Y145 HydrophobicContact CE1-CG 3.76Å; I136-Y145 HydrophobicContact CG2-CD1 4.08Å; I136-Y145 HydrophobicContact CG2-CG 4.36Å; F138-Y145 HydrophobicContact CB-CD1 4.02Å; F138-Y145 HydrophobicContact CB-CE1 3.98Å; F138-Y145 HydrophobicContact CD2-CD1 4.19Å; F138-Y145 HydrophobicContact CD2-CD2 4.38Å; F138-Y145 HydrophobicContact CD2-CE1 4.31Å; F138-Y145 HydrophobicContact CD2-CE2 4.5Å; F138-Y145 HydrophobicContact CD2-CG 4.24Å; Y145-P147 WeakPolarHBondContact O-CD 3.25Å
146R91.6Very high91.1Very high56 Ų5641.8 Ų41.821%0.21123%0.225CC..PPolyproline II helixtrans-70.8122-175.4-63.7178.2-176162.47.5108.7I136 K137 C139 I144 C150 H152I136-R146 WeakPolarHBondContact CG2-O 3.46Å; K137-R146 WeakPolarHBondContact O-CB 2.93Å; K137-R146 WeakPolarHBondContact O-CG 3.39Å; K137-R146 PolarHBondContact O-N 2.86Å; C139-R146 HydrophobicContact CB-CG 3.97Å; C139-R146 VanDerWaalsContact CB-NE 3.35Å; C139-R146 PolarHBondContact SG-NH2 3.33Å; I144-R146 PolarHBondContact O-N 2.89Å; R146-C150 HydrophobicContact CB-CB 4.06Å; R146-H152 VanDerWaalsContact NH2-CB 3.26Å
147P89.8Confident91.6Very high52 Ų5243 Ų4334%0.33823%0.231SC..PPolyproline II helixtrans-52.8159.7169-23.333.6000110.9L92 Y145 C150L92-P147 HydrophobicContact CD1-CG 3.91Å; Y145-P147 WeakPolarHBondContact O-CD 3.25Å; P147-C150 WeakPolarHBondContact O-CB 3.37Å; P147-C150 PolarHBondContact O-N 2.98Å; P147-C150 VanDerWaalsContact O-N 3.11Å
148A85.8Confident92.1Very high16 Ų1638.7 Ų38.713%0.13221%0.213CC..THydrogen-bonded Turntrans-63.6154.2179.200000111.7E129 V134 I136 C150E129-A148 HydrophobicContact CB-CB 4.36Å; E129-A148 HydrophobicContact CG-CB 4.15Å; E129-A148 WeakPolarHBondContact OE1-CB 3.37Å; E129-A148 PolarHBondContact OE1-N 2.86Å; E129-A148 WeakPolarHBondContact OE2-CB 3.14Å; V134-A148 HydrophobicContact CB-CB 4.11Å; V134-A148 HydrophobicContact CG1-CB 4.26Å; V134-A148 HydrophobicContact CG2-CB 3.78Å; I136-A148 HydrophobicContact CD1-CB 4.39Å; A148-C150 PolarHBondContact O-N 3.35Å
149K86.8Confident92.5Very high82 Ų8237 Ų3736%0.35721%0.205SC..THydrogen-bonded Turntrans60.54.1-171.2-49.9177.9-176174.70114.3R162 F163K149-R162 HydrophobicContact CB-CG 4.28Å; K149-R162 CarbonylContact O-C 3.53Å; K149-R162 WeakPolarHBondContact O-CA 3.15Å; K149-R162 PolarHBondContact O-N 3.26Å; K149-F163 PolarHBondContact O-N 2.81Å
150C91.9Very high92.8Very high11 Ų1137 Ų377%0.07421%0.205CC..  trans-80.7144.6170178.50000111.3L92 R146 P147 A148 V160L92-C150 HydrophobicContact CD1-CB 4.35Å; L92-C150 VanDerWaalsContact CD1-SG 3.58Å; R146-C150 HydrophobicContact CB-CB 4.06Å; P147-C150 WeakPolarHBondContact O-CB 3.37Å; P147-C150 PolarHBondContact O-N 2.98Å; P147-C150 VanDerWaalsContact O-N 3.11Å; A148-C150 PolarHBondContact O-N 3.35Å; C150-V160 WeakPolarHBondContact CA-O 3.38Å; C150-V160 PolarHBondContact SG-O 2.94Å
151S93.8Very high93.1Very high13 Ų1335.3 Ų35.39%0.09119%0.189CC..EExtended strand (participates in β ladder)trans-141.6151.9167.7-720000111.1V160 K257S151-V160 PolarHBondContact N-O 3.15Å; S151-V160 PolarHBondContact O-N 3.49Å; S151-K257 PolarHBondContact OG-NZ 2.79Å
152H95.5Very high93.2Very high36 Ų3636.7 Ų36.717%0.16719%0.188CC..EExtended strand (participates in β ladder)trans-84.9122.6173.8-170.893.1000109C139 C142 R146 D157 N158C139-H152 PolarHBondContact SG-ND1 3.37Å; C142-H152 PolarHBondContact SG-ND1 2.91Å; C142-H152 VanDerWaalsContact SG-ND1 3.42Å; R146-H152 VanDerWaalsContact NH2-CB 3.26Å; H152-D157 IonicContact CE1-OD1 3.17Å; H152-D157 PolarHBondContact CE1-OD1 3.35Å; H152-D157 VanDerWaalsContact CE1-OD1 3.26Å; H152-D157 IonicContact NE2-OD1 3.67Å; H152-D157 PolarHBondContact NE2-OD1 2.94Å; H152-N158 WeakPolarHBondContact CA-O 3.22Å
153C96.6Very high93.3Very high7 Ų737.9 Ų37.95%0.04719%0.193CC..EExtended strand (participates in β ladder)trans-86118.8169.6178.80000108.6V155 C156 D157 N158 F163 H166 C173C153-V155 VanDerWaalsContact C-N 3.27Å; C153-V155 PolarHBondContact O-N 2.69Å; C153-V155 PolarHBondContact SG-N 3.28Å; C153-C156 HydrophobicContact CB-CB 4.31Å; C153-C156 PolarHBondContact SG-N 3.21Å; C153-D157 WeakPolarHBondContact O-CA 3.24Å; C153-D157 PolarHBondContact O-N 3.38Å; C153-N158 PolarHBondContact N-O 3.19Å; C153-N158 PolarHBondContact O-N 2.83Å; C153-F163 HydrophobicContact CB-CE2 4.02Å; C153-H166 PolarHBondContact SG-ND1 3.39Å; C153-C173 VanDerWaalsContact CB-SG 3.53Å; C153-C173 PolarHBondContact SG-SG 2.9Å
154S95.3Very high93.5Very high103 Ų10333.5 Ų33.572%0.7217%0.174SC*.THydrogen-bonded Turntrans-67-27.1176.5510000113.2
155V95.2Very high93.8Very high51 Ų5134 Ų3431%0.30918%0.176SC..THydrogen-bonded Turntrans-72.7-52.8-179.8-176.20000111.2Q18 N31 C153 D157Q18-V155 WeakPolarHBondContact CB-O 3.45Å; N31-V155 PolarHBondContact ND2-O 2.52Å; N31-V155 WeakPolarHBondContact OD1-CG1 3.26Å; N31-V155 PolarHBondContact OD1-O 3.48Å; C153-V155 VanDerWaalsContact C-N 3.27Å; C153-V155 PolarHBondContact O-N 2.69Å; C153-V155 PolarHBondContact SG-N 3.28Å; V155-D157 VanDerWaalsContact C-N 3.25Å; V155-D157 PolarHBondContact O-N 3.45Å
156C96.6Very high94.1Very high2 Ų233 Ų331%0.01417%0.173CC..THydrogen-bonded Turntrans-78.3-11.4176.1-63.50000113.1Q18 C153 N158 H166 C173Q18-C156 PolarHBondContact N-O 3.41Å; C153-C156 HydrophobicContact CB-CB 4.31Å; C153-C156 PolarHBondContact SG-N 3.21Å; C156-N158 PolarHBondContact O-N 3.35Å; C156-N158 PolarHBondContact O-ND2 2.95Å; C156-N158 VanDerWaalsContact O-ND2 3.09Å; C156-H166 PolarHBondContact SG-CE1 2.95Å; C156-H166 PolarHBondContact SG-ND1 3.1Å; C156-C173 PolarHBondContact SG-SG 3.02Å
157D96.9Very high94.4Very high34 Ų3430.8 Ų30.818%0.18217%0.166CC..THydrogen-bonded Turntrans47.852.1-171.7-166.142.1000114G17 Q18 R94 T141 H152 C153 V155G17-D157 WeakPolarHBondContact CA-O 3.19Å; Q18-D157 HydrophobicContact CB-CB 4.24Å; Q18-D157 HydrophobicContact CG-CB 3.65Å; R94-D157 IonicContact CZ-OD2 3.56Å; R94-D157 PolarHBondContact NH2-O 3.38Å; R94-D157 IonicContact NH2-OD1 3.82Å; R94-D157 IonicContact NH2-OD2 2.65Å; R94-D157 PolarHBondContact NH2-OD2 2.99Å; T141-D157 WeakPolarHBondContact CG2-OD1 3.32Å; H152-D157 IonicContact CE1-OD1 3.17Å; H152-D157 PolarHBondContact CE1-OD1 3.35Å; H152-D157 VanDerWaalsContact CE1-OD1 3.26Å; H152-D157 IonicContact NE2-OD1 3.67Å; H152-D157 PolarHBondContact NE2-OD1 2.94Å; C153-D157 WeakPolarHBondContact O-CA 3.24Å; C153-D157 PolarHBondContact O-N 3.38Å; V155-D157 VanDerWaalsContact C-N 3.25Å; V155-D157 PolarHBondContact O-N 3.45Å
158N96.1Very high94.7Very high0 Ų031.1 Ų31.10%017%0.168CC..EExtended strand (participates in β ladder)trans-149.1153.5173.9-71.7-62.7000111.6H15 G17 N19 I91 H152 C153 C156H15-N158 PolarHBondContact NE2-ND2 2.8Å; G17-N158 WeakPolarHBondContact CA-ND2 3.45Å; N19-N158 PolarHBondContact OD1-ND2 3.34Å; I91-N158 HydrophobicContact CG2-CB 3.94Å; H152-N158 WeakPolarHBondContact CA-O 3.22Å; C153-N158 PolarHBondContact N-O 3.19Å; C153-N158 PolarHBondContact O-N 2.83Å; C156-N158 PolarHBondContact O-N 3.35Å; C156-N158 PolarHBondContact O-ND2 2.95Å; C156-N158 VanDerWaalsContact O-ND2 3.09Å
159C97Very high95.2Very high0 Ų037.3 Ų37.30%019%0.188CC..EExtended strand (participates in β ladder)trans-73.1128.1162.5-82.50000110L92 C139 C142 I144L92-C159 HydrophobicContact CB-CB 4.26Å; L92-C159 HydrophobicContact CD1-CB 4.3Å; L92-C159 PolarHBondContact N-O 3.5Å; C139-C159 PolarHBondContact SG-SG 3.41Å; C142-C159 PolarHBondContact SG-N 2.96Å; C142-C159 VanDerWaalsContact SG-N 3.44Å; I144-C159 HydrophobicContact CD1-CB 3.89Å
160V97.1Very high95.7Very high1 Ų133.4 Ų33.41%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-114.6130.9177.3179.50000108.8P89 G90 C150 S151 F163 C173P89-V160 HydrophobicContact CB-CG1 4.06Å; P89-V160 HydrophobicContact CG-CG1 4.25Å; P89-V160 HydrophobicContact CG-CG2 4.3Å; G90-V160 CarbonylContact O-C 3.16Å; G90-V160 WeakPolarHBondContact O-CA 3.34Å; C150-V160 WeakPolarHBondContact CA-O 3.38Å; C150-V160 PolarHBondContact SG-O 2.94Å; S151-V160 PolarHBondContact N-O 3.15Å; S151-V160 PolarHBondContact O-N 3.49Å; V160-F163 HydrophobicContact CB-CB 4.25Å; V160-F163 HydrophobicContact CB-CD2 3.91Å; V160-F163 HydrophobicContact CG1-CD2 4.3Å; V160-F163 HydrophobicContact CG2-CD2 4.35Å; V160-C173 HydrophobicContact CG2-CB 4.09Å
161E94.7Very high95.9Very high38 Ų3832.9 Ų32.918%0.17817%0.168CC..THydrogen-bonded Turntrans-69.6135.3176.9-164.6-173.6-169.400111G90 L92 F163 R176G90-E161 PolarHBondContact O-N 2.72Å; L92-E161 HydrophobicContact CD2-CB 4.05Å; L92-E161 HydrophobicContact CD2-CG 4.47Å; L92-E161 HydrophobicContact CG-CB 4.35Å; E161-F163 PolarHBondContact O-N 3.37Å; E161-R176 HydrophobicContact CB-CB 4.4Å; E161-R176 VanDerWaalsContact CD-CD 3.48Å; E161-R176 PolarHBondContact O-N 3.47Å; E161-R176 IonicContact OE1-CZ 2.62Å; E161-R176 IonicContact OE1-NH1 2.66Å; E161-R176 PolarHBondContact OE1-NH1 3.32Å; E161-R176 WeakPolarHBondContact OE2-CD 3.3Å; E161-R176 IonicContact OE2-NH1 3.3Å
162R92.8Very high96.1Very high87 Ų8732.3 Ų32.333%0.32816%0.163SC..THydrogen-bonded Turntrans43.552.3-172.6-58-170.3-178.1168.27.6112.1K149 D164 G175 R176 E290K149-R162 HydrophobicContact CB-CG 4.28Å; K149-R162 CarbonylContact O-C 3.53Å; K149-R162 WeakPolarHBondContact O-CA 3.15Å; K149-R162 PolarHBondContact O-N 3.26Å; R162-D164 PolarHBondContact O-N 2.85Å; R162-G175 WeakPolarHBondContact O-CA 3.38Å; R162-R176 HydrophobicContact CB-CB 4.04Å; R162-R176 HydrophobicContact CG-CB 4.34Å; R162-E290 IonicContact CZ-OE1 3.19Å; R162-E290 VanDerWaalsContact CZ-OE1 3.29Å; R162-E290 IonicContact CZ-OE2 2.73Å; R162-E290 VanDerWaalsContact NH1-CD 3.31Å; R162-E290 IonicContact NH1-OE1 3.96Å; R162-E290 PolarHBondContact NH1-OE1 2.86Å; R162-E290 IonicContact NH1-OE2 3.29Å; R162-E290 PolarHBondContact NH1-OE2 2.9Å; R162-E290 IonicContact NH2-OE1 3.63Å; R162-E290 PolarHBondContact NH2-OE1 2.66Å; R162-E290 IonicContact NH2-OE2 3.87Å
163F94.9Very high96.2Very high25 Ų2530.6 Ų30.611%0.1116%0.155CC..  trans-60.9127-177176-98.3000110.7K149 C153 V160 E161 H165 C173 C253K149-F163 PolarHBondContact O-N 2.81Å; C153-F163 HydrophobicContact CB-CE2 4.02Å; V160-F163 HydrophobicContact CB-CB 4.25Å; V160-F163 HydrophobicContact CB-CD2 3.91Å; V160-F163 HydrophobicContact CG1-CD2 4.3Å; V160-F163 HydrophobicContact CG2-CD2 4.35Å; E161-F163 PolarHBondContact O-N 3.37Å; F163-H165 VanDerWaalsContact CZ-C 3.45Å; F163-C173 HydrophobicContact CE2-CB 4.34Å; F163-C253 HydrophobicContact CD1-CB 3.94Å; F163-C253 HydrophobicContact CE1-CB 4.39Å; F163-C253 WeakPolarHBondContact O-CB 3.46Å
164D95.5Very high96.2Very high4 Ų430.2 Ų30.22%0.02115%0.153CC..  trans-98-63.9175.1-166.4-91.8000110.9R162 I174 Y179 H242 S251 T252 C253R162-D164 PolarHBondContact O-N 2.85Å; D164-I174 HydrophobicContact CB-CB 4.28Å; D164-I174 HydrophobicContact CB-CG2 4.11Å; D164-I174 PolarHBondContact N-O 3.48Å; D164-Y179 HydrophobicContact CB-CD2 4.16Å; D164-Y179 HydrophobicContact CB-CE2 4.27Å; D164-H242 IonicContact OD1-CE1 2.72Å; D164-H242 PolarHBondContact OD1-CE1 2.97Å; D164-S251 VanDerWaalsContact OD2-CA 3.23Å; D164-S251 WeakPolarHBondContact OD2-CA 3.09Å; D164-S251 WeakPolarHBondContact OD2-CB 3.41Å; D164-T252 VanDerWaalsContact OD1-CB 3.3Å; D164-T252 WeakPolarHBondContact OD1-CB 3.21Å; D164-T252 PolarHBondContact OD1-OG1 2.96Å; D164-T252 PolarHBondContact OD2-N 3.47Å; D164-T252 PolarHBondContact OD2-OG1 3.23Å; D164-C253 VanDerWaalsContact O-CB 3.31Å; D164-C253 WeakPolarHBondContact O-CB 3.31Å; D164-C253 PolarHBondContact O-N 3.4Å; D164-C253 VanDerWaalsContact O-N 3.16Å
165H95.9Very high96.3Very high40 Ų4025.4 Ų25.419%0.18512%0.119CC..EExtended strand (participates in β ladder)trans-161.1168.6175.264.6-78.5000111.5F163 C167 I174 F182F163-H165 VanDerWaalsContact CZ-C 3.45Å; H165-C167 WeakPolarHBondContact NE2-CB 3.48Å; H165-I174 PolarHBondContact O-N 3.37Å; H165-F182 AromaticContact CE1-CZ 3.64Å
166H96.7Very high96.3Very high36 Ų3625.3 Ų25.317%0.16711%0.114CC..EExtended strand (participates in β ladder)trans-91121.1162.3-173.284.2000108.2S30 C153 C156 P168 C173S30-H166 PolarHBondContact OG-CE1 3Å; C153-H166 PolarHBondContact SG-ND1 3.39Å; C156-H166 PolarHBondContact SG-CE1 2.95Å; C156-H166 PolarHBondContact SG-ND1 3.1Å; H166-P168 WeakPolarHBondContact O-CD 3.5Å; H166-C173 PolarHBondContact ND1-SG 3.47Å
167C97.2Very high96.3Very high9 Ų929 Ų296%0.06113%0.127CC..EExtended strand (participates in β ladder)trans-101.8108.7-176.6-170.30000110.3H165 W169 L170 G171 N172 I174H165-C167 WeakPolarHBondContact NE2-CB 3.48Å; C167-W169 VanDerWaalsContact C-N 3.29Å; C167-W169 PolarHBondContact O-N 2.95Å; C167-L170 HydrophobicContact CB-CB 4.07Å; C167-L170 HydrophobicContact CB-CD1 4.33Å; C167-L170 HydrophobicContact CB-CG 4.39Å; C167-L170 PolarHBondContact O-N 3.11Å; C167-G171 PolarHBondContact O-N 3.22Å; C167-N172 PolarHBondContact N-O 3.03Å; C167-N172 PolarHBondContact O-N 2.91Å; C167-I174 HydrophobicContact CB-CD1 4.47Å; C167-I174 HydrophobicContact CB-CG1 4.08Å
168P96.2Very high96.3Very high59 Ų5927.4 Ų27.438%0.38312%0.119SC..G310 helixtrans-60.5-41.1174.8-22.534.3000111.5T35 H166 L170 G171T35-P168 VanDerWaalsContact OG1-CB 3.31Å; T35-P168 WeakPolarHBondContact OG1-CB 3.29Å; T35-P168 PolarHBondContact OG1-O 3.22Å; H166-P168 WeakPolarHBondContact O-CD 3.5Å; P168-L170 PolarHBondContact O-N 3.41Å; P168-L170 VanDerWaalsContact O-N 3.13Å; P168-G171 PolarHBondContact O-N 2.84Å
169W96.8Very high96.3Very high145 Ų14528.7 Ų28.755%0.54912%0.124SC..G310 helixtrans-61.8-23.3-177.5-62102.9000114.2L36 V38 T39 C167L36-W169 WeakPolarHBondContact CA-O 3.19Å; V38-W169 HydrophobicContact CG1-CZ3 4.34Å; T39-W169 PolarHBondContact OG1-O 2.05Å; C167-W169 VanDerWaalsContact C-N 3.29Å; C167-W169 PolarHBondContact O-N 2.95Å
170L96.8Very high96.3Very high1 Ų129.9 Ų29.91%0.00513%0.134CC..G310 helixtrans-104.6-11.3174.6-65.1175.9000112.9L81 A85 C167 P168 N172 I174 F182 F185L81-L170 HydrophobicContact CD1-CD2 3.22Å; A85-L170 HydrophobicContact CB-CB 4.41Å; A85-L170 HydrophobicContact CB-CD2 4.46Å; A85-L170 VanDerWaalsContact CB-O 3.26Å; A85-L170 WeakPolarHBondContact CB-O 3.35Å; C167-L170 HydrophobicContact CB-CB 4.07Å; C167-L170 HydrophobicContact CB-CD1 4.33Å; C167-L170 HydrophobicContact CB-CG 4.39Å; C167-L170 PolarHBondContact O-N 3.11Å; P168-L170 PolarHBondContact O-N 3.41Å; P168-L170 VanDerWaalsContact O-N 3.13Å; L170-N172 PolarHBondContact O-N 3.43Å; L170-I174 HydrophobicContact CD1-CD1 3.79Å; L170-F182 HydrophobicContact CD1-CD2 3.56Å; L170-F182 HydrophobicContact CD1-CE2 4.15Å; L170-F185 HydrophobicContact CD1-CD1 4.47Å; L170-F185 HydrophobicContact CD2-CD1 4.09Å; L170-F185 HydrophobicContact CD2-CE1 3.81Å; L170-F185 HydrophobicContact CD2-CZ 4.43Å
171G96.1Very high96.3Very high0 Ų031 Ų310%014%0.142CC..THydrogen-bonded Turntrans61.231-175.600000113.1T29 S30 S32 C167 P168T29-G171 PolarHBondContact OG1-O 2.77Å; S30-G171 WeakPolarHBondContact CA-O 3.4Å; S30-G171 WeakPolarHBondContact CB-O 3.42Å; S30-G171 PolarHBondContact N-O 2.7Å; S32-G171 WeakPolarHBondContact O-CA 3.33Å; C167-G171 PolarHBondContact O-N 3.22Å; P168-G171 PolarHBondContact O-N 2.84Å
172N97.6Very high96.5Very high0 Ų029.3 Ų29.30%013%0.134CC..EExtended strand (participates in β ladder)trans-152.5162.5-178.1-159.27.4000111.7S84 A85 A87 C167 L170S84-N172 PolarHBondContact O-ND2 3.4Å; A85-N172 PolarHBondContact O-ND2 2.93Å; A87-N172 PolarHBondContact O-ND2 3.46Å; C167-N172 PolarHBondContact N-O 3.03Å; C167-N172 PolarHBondContact O-N 2.91Å; L170-N172 PolarHBondContact O-N 3.43Å
173C97.9Very high96.7Very high0 Ų026.2 Ų26.20%012%0.123CC..EExtended strand (participates in β ladder)trans-70.6149.5164.2-71.90000110.2P89 C153 C156 V160 F163 H166 N178P89-C173 HydrophobicContact CB-CB 3.97Å; P89-C173 VanDerWaalsContact CB-O 3.28Å; P89-C173 WeakPolarHBondContact CB-O 3.05Å; P89-C173 HydrophobicContact CG-CB 3.92Å; C153-C173 VanDerWaalsContact CB-SG 3.53Å; C153-C173 PolarHBondContact SG-SG 2.9Å; C156-C173 PolarHBondContact SG-SG 3.02Å; V160-C173 HydrophobicContact CG2-CB 4.09Å; F163-C173 HydrophobicContact CE2-CB 4.34Å; H166-C173 PolarHBondContact ND1-SG 3.47Å; C173-N178 PolarHBondContact O-ND2 3.48Å
174I97.9Very high96.8Very high0 Ų028.4 Ų28.40%014%0.135CC..EExtended strand (participates in β ladder)trans-104.9124.1165.5-54.7-50.4000107.6D164 H165 C167 L170 N178 Y179 F182D164-I174 HydrophobicContact CB-CB 4.28Å; D164-I174 HydrophobicContact CB-CG2 4.11Å; D164-I174 PolarHBondContact N-O 3.48Å; H165-I174 PolarHBondContact O-N 3.37Å; C167-I174 HydrophobicContact CB-CD1 4.47Å; C167-I174 HydrophobicContact CB-CG1 4.08Å; L170-I174 HydrophobicContact CD1-CD1 3.79Å; I174-N178 WeakPolarHBondContact CA-OD1 3.36Å; I174-Y179 HydrophobicContact CG2-CD2 3.68Å; I174-Y179 HydrophobicContact CG2-CG 4.39Å; I174-F182 HydrophobicContact CD1-CB 3.97Å; I174-F182 HydrophobicContact CD1-CD2 4.02Å; I174-F182 HydrophobicContact CD1-CG 4.07Å; I174-F182 HydrophobicContact CG1-CB 4.44Å; I174-F182 HydrophobicContact CG1-CD2 4.07Å; I174-F182 HydrophobicContact CG1-CE2 4.5Å; I174-F182 HydrophobicContact CG1-CG 4.09Å; I174-F182 HydrophobicContact CG2-CB 4Å; I174-F182 HydrophobicContact CG2-CD1 3.84Å; I174-F182 HydrophobicContact CG2-CG 3.91Å
175G96.5Very high97Very high1 Ų128.7 Ų28.71%0.0114%0.136CC..  trans-152.6-165.5-178.700000111.5P89 R162 R177 N178 Y179P89-G175 CarbonylContact O-C 3.46Å; P89-G175 VanDerWaalsContact O-CA 3.32Å; P89-G175 WeakPolarHBondContact O-CA 3.48Å; R162-G175 WeakPolarHBondContact O-CA 3.38Å; G175-R177 PolarHBondContact O-N 3.2Å; G175-R177 VanDerWaalsContact O-N 3.07Å; G175-N178 PolarHBondContact N-OD1 3.27Å; G175-N178 PolarHBondContact O-N 3.29Å; G175-N178 PolarHBondContact O-OD1 3.16Å; G175-Y179 VanDerWaalsContact O-CB 3.24Å; G175-Y179 WeakPolarHBondContact O-CB 3.46Å; G175-Y179 PolarHBondContact O-N 2.99Å
176R95.4Very high97.1Very high50 Ų5027 Ų2719%0.18913%0.128CC..THydrogen-bonded Turntrans-47.6-44.4-172.3-170.8176.7-173.9174.1-2.2113.9P89 E161 R162 E290 L292P89-R176 PolarHBondContact O-N 3.47Å; P89-R176 VanDerWaalsContact O-N 3.16Å; E161-R176 HydrophobicContact CB-CB 4.4Å; E161-R176 VanDerWaalsContact CD-CD 3.48Å; E161-R176 PolarHBondContact O-N 3.47Å; E161-R176 IonicContact OE1-CZ 2.62Å; E161-R176 IonicContact OE1-NH1 2.66Å; E161-R176 PolarHBondContact OE1-NH1 3.32Å; E161-R176 WeakPolarHBondContact OE2-CD 3.3Å; E161-R176 IonicContact OE2-NH1 3.3Å; R162-R176 HydrophobicContact CB-CB 4.04Å; R162-R176 HydrophobicContact CG-CB 4.34Å; R176-E290 IonicContact CZ-OE1 2.65Å; R176-E290 IonicContact NE-OE1 3.59Å; R176-E290 IonicContact NH2-OE1 3.45Å; R176-E290 PolarHBondContact NH2-OE1 2.9Å; R176-L292 HydrophobicContact CG-CD2 4.09Å
177R95.7Very high97.2Very high79 Ų7926.4 Ų26.430%0.29813%0.128SC..THydrogen-bonded Turntrans-86.1-17.3-167.4-64-176.67783.42.8114.6D88 P89 G175 L292 P293D88-R177 WeakPolarHBondContact O-CB 3.42Å; D88-R177 VanDerWaalsContact OD2-CD 3.27Å; D88-R177 WeakPolarHBondContact OD2-CD 3.2Å; D88-R177 IonicContact OD2-NE 2.7Å; P89-R177 PolarHBondContact O-N 2.98Å; P89-R177 VanDerWaalsContact O-N 3.14Å; G175-R177 PolarHBondContact O-N 3.2Å; G175-R177 VanDerWaalsContact O-N 3.07Å; R177-L292 HydrophobicContact CB-CD1 4.48Å; R177-L292 HydrophobicContact CG-CD2 4.33Å; R177-P293 PolarHBondContact NH1-O 3.08Å
178N96.8Very high97.2Very high1 Ų126 Ų261%0.00513%0.126CC..THydrogen-bonded Turntrans-125.2-0.9-178.971.2-16.8000114S84 A87 C173 I174 G175 A180 S181 F182S84-N178 PolarHBondContact O-ND2 3.18Å; A87-N178 HydrophobicContact CB-CB 4.45Å; C173-N178 PolarHBondContact O-ND2 3.48Å; I174-N178 WeakPolarHBondContact CA-OD1 3.36Å; G175-N178 PolarHBondContact N-OD1 3.27Å; G175-N178 PolarHBondContact O-N 3.29Å; G175-N178 PolarHBondContact O-OD1 3.16Å; N178-A180 VanDerWaalsContact C-N 3.34Å; N178-A180 PolarHBondContact O-N 3.1Å; N178-S181 PolarHBondContact O-N 2.69Å; N178-F182 PolarHBondContact O-N 3.03Å
179Y97.3Very high97.3Very high27 Ų2724.2 Ų24.211%0.10611%0.113CC..Hα-helixtrans-58.6-41.8178.5-172.9-88.3000112.6D164 I174 G175 S181 F182 F183 H242 V246 V287D164-Y179 HydrophobicContact CB-CD2 4.16Å; D164-Y179 HydrophobicContact CB-CE2 4.27Å; I174-Y179 HydrophobicContact CG2-CD2 3.68Å; I174-Y179 HydrophobicContact CG2-CG 4.39Å; G175-Y179 VanDerWaalsContact O-CB 3.24Å; G175-Y179 WeakPolarHBondContact O-CB 3.46Å; G175-Y179 PolarHBondContact O-N 2.99Å; Y179-S181 VanDerWaalsContact C-N 3.34Å; Y179-S181 PolarHBondContact O-N 3.48Å; Y179-F182 HydrophobicContact CD2-CD1 4.33Å; Y179-F182 HydrophobicContact CE2-CD1 4.29Å; Y179-F182 WeakPolarHBondContact O-CB 3.31Å; Y179-F182 PolarHBondContact O-N 2.74Å; Y179-F183 HydrophobicContact CD1-CB 4.49Å; Y179-F183 HydrophobicContact CE1-CB 4.2Å; Y179-F183 WeakPolarHBondContact O-CB 3.4Å; Y179-F183 PolarHBondContact O-N 3Å; Y179-H242 AromaticContact CE2-ND1 3.92Å; Y179-H242 AromaticContact CZ-ND1 3.9Å; Y179-H242 PolarHBondContact OH-ND1 2.72Å; Y179-H242 VanDerWaalsContact OH-ND1 3.12Å; Y179-V246 HydrophobicContact CE1-CG2 3.86Å; Y179-V287 HydrophobicContact CD1-CG1 3.76Å; Y179-V287 HydrophobicContact CD1-CG2 4.39Å; Y179-V287 HydrophobicContact CE1-CG1 4.12Å; Y179-V287 HydrophobicContact CE1-CG2 4.3Å
180A96.6Very high97.4Very high25 Ų2517.7 Ų17.721%0.2079%0.089CC..Hα-helixtrans-60.1-43.817800000112N178 F183 L184 V287 F288N178-A180 VanDerWaalsContact C-N 3.34Å; N178-A180 PolarHBondContact O-N 3.1Å; A180-F183 PolarHBondContact O-N 2.84Å; A180-L184 WeakPolarHBondContact O-CB 3.29Å; A180-L184 PolarHBondContact O-N 2.88Å; A180-V287 HydrophobicContact CB-CG1 4.1Å; A180-F288 HydrophobicContact CB-CD1 3.99Å; A180-F288 HydrophobicContact CB-CE1 4.18Å
181S97.4Very high97.4Very high25 Ų2522.6 Ų22.618%0.17511%0.114CC..Hα-helixtrans-65.9-40.4175.1-55.60000112S80 L83 N178 Y179 F185S80-S181 WeakPolarHBondContact CB-O 3.34Å; L83-S181 WeakPolarHBondContact CB-OG 3.28Å; N178-S181 PolarHBondContact O-N 2.69Å; Y179-S181 VanDerWaalsContact C-N 3.34Å; Y179-S181 PolarHBondContact O-N 3.48Å; S181-F185 VanDerWaalsContact O-CB 3.3Å; S181-F185 WeakPolarHBondContact O-CB 3.4Å; S181-F185 PolarHBondContact O-N 2.91Å
182F98.1Very high97.6Very high2 Ų222.9 Ų22.91%0.00912%0.115CC..Hα-helixtrans-61.4-47.4174.2163.8-102.6000112.1H165 L170 I174 N178 Y179 L184 F185 I186 H242H165-F182 AromaticContact CE1-CZ 3.64Å; L170-F182 HydrophobicContact CD1-CD2 3.56Å; L170-F182 HydrophobicContact CD1-CE2 4.15Å; I174-F182 HydrophobicContact CD1-CB 3.97Å; I174-F182 HydrophobicContact CD1-CD2 4.02Å; I174-F182 HydrophobicContact CD1-CG 4.07Å; I174-F182 HydrophobicContact CG1-CB 4.44Å; I174-F182 HydrophobicContact CG1-CD2 4.07Å; I174-F182 HydrophobicContact CG1-CE2 4.5Å; I174-F182 HydrophobicContact CG1-CG 4.09Å; I174-F182 HydrophobicContact CG2-CB 4Å; I174-F182 HydrophobicContact CG2-CD1 3.84Å; I174-F182 HydrophobicContact CG2-CG 3.91Å; N178-F182 PolarHBondContact O-N 3.03Å; Y179-F182 HydrophobicContact CD2-CD1 4.33Å; Y179-F182 HydrophobicContact CE2-CD1 4.29Å; Y179-F182 WeakPolarHBondContact O-CB 3.31Å; Y179-F182 PolarHBondContact O-N 2.74Å; F182-L184 PolarHBondContact O-N 3.33Å; F182-F185 WeakPolarHBondContact O-CB 3.44Å; F182-F185 PolarHBondContact O-N 3.34Å; F182-F185 VanDerWaalsContact O-N 3.15Å; F182-I186 HydrophobicContact CD2-CG2 4.17Å; F182-I186 HydrophobicContact CE1-CD1 3.87Å; F182-I186 HydrophobicContact CE2-CG2 3.64Å; F182-I186 HydrophobicContact CZ-CD1 3.85Å; F182-I186 HydrophobicContact CZ-CG2 3.96Å; F182-I186 PolarHBondContact O-N 3.15Å; F182-H242 AromaticContact CE1-CD2 3.79Å; F182-H242 AromaticContact CE1-CE1 3.49Å; F182-H242 VanDerWaalsContact CE1-CE1 3.49Å; F182-H242 WeakPolarHBondContact CE1-CE1 3.13Å; F182-H242 AromaticContact CE1-CG 3.9Å; F182-H242 AromaticContact CE1-ND1 3.71Å; F182-H242 AromaticContact CE1-NE2 3.51Å; F182-H242 AromaticContact CZ-CD2 3.9Å; F182-H242 AromaticContact CZ-CE1 3.98Å; F182-H242 AromaticContact CZ-NE2 3.55Å
183F97.8Very high97.6Very high22 Ų2223.5 Ų23.510%0.09612%0.118CC..Hα-helixtrans-65.5-40.5-179.9-176.7-117.8000111.5Y179 A180 F185 I186 S187 H242 A243 V246 F288Y179-F183 HydrophobicContact CD1-CB 4.49Å; Y179-F183 HydrophobicContact CE1-CB 4.2Å; Y179-F183 WeakPolarHBondContact O-CB 3.4Å; Y179-F183 PolarHBondContact O-N 3Å; A180-F183 PolarHBondContact O-N 2.84Å; F183-F185 VanDerWaalsContact C-N 3.34Å; F183-I186 HydrophobicContact CD2-CD1 4.21Å; F183-I186 HydrophobicContact CD2-CG1 4.39Å; F183-I186 WeakPolarHBondContact O-CG1 3.49Å; F183-S187 VanDerWaalsContact O-CB 3.24Å; F183-S187 WeakPolarHBondContact O-CB 3.35Å; F183-S187 PolarHBondContact O-N 3.21Å; F183-S187 PolarHBondContact O-OG 3.31Å; F183-H242 HydrophobicContact CD2-CB 3.9Å; F183-H242 HydrophobicContact CE2-CB 4.04Å; F183-A243 HydrophobicContact CE2-CB 4.3Å; F183-A243 HydrophobicContact CZ-CB 4.26Å; F183-V246 HydrophobicContact CD1-CG2 4.44Å; F183-V246 HydrophobicContact CD2-CG2 4.4Å; F183-V246 HydrophobicContact CE1-CG2 4.39Å; F183-V246 HydrophobicContact CE2-CG2 4.35Å; F183-V246 HydrophobicContact CG-CG2 4.46Å; F183-V246 HydrophobicContact CZ-CG2 4.35Å; F183-F288 AromaticContact CD1-CE2 3.84Å; F183-F288 HydrophobicContact CD1-CE2 3.84Å; F183-F288 AromaticContact CD1-CZ 3.66Å; F183-F288 HydrophobicContact CD1-CZ 3.66Å; F183-F288 HydrophobicContact CE1-CE2 4.15Å; F183-F288 HydrophobicContact CE1-CZ 4.28Å
184L97.6Very high97.6Very high70 Ų7026.8 Ų26.837%0.36614%0.138SC..Hα-helixtrans-62.2-41.6171.8-177.860.9000111.5V76 A180 F182 S187 C188 F288V76-L184 HydrophobicContact CG1-CD1 4.17Å; V76-L184 HydrophobicContact CG1-CD2 4.17Å; V76-L184 HydrophobicContact CG1-CG 4.15Å; A180-L184 WeakPolarHBondContact O-CB 3.29Å; A180-L184 PolarHBondContact O-N 2.88Å; F182-L184 PolarHBondContact O-N 3.33Å; L184-S187 PolarHBondContact O-N 3.14Å; L184-C188 WeakPolarHBondContact O-CB 3.4Å; L184-C188 PolarHBondContact O-N 3.39Å; L184-F288 HydrophobicContact CB-CE1 4.41Å
185F98.4Very high97.6Very high10 Ų1029.1 Ų29.14%0.04415%0.148CC..Hα-helixtrans-59.4-55.7177.7166.5-115000112T39 I43 C77 S80 L81 L170 S181 F182 F183 S187 C188 L189T39-F185 HydrophobicContact CG2-CZ 4.1Å; I43-F185 HydrophobicContact CD1-CE2 4.01Å; I43-F185 HydrophobicContact CD1-CZ 4.31Å; C77-F185 VanDerWaalsContact SG-CE2 3.59Å; S80-F185 WeakPolarHBondContact OG-CA 3.31Å; S80-F185 WeakPolarHBondContact OG-CB 3.46Å; L81-F185 HydrophobicContact CB-CD2 3.69Å; L81-F185 HydrophobicContact CB-CE2 3.73Å; L81-F185 HydrophobicContact CB-CG 4.42Å; L81-F185 HydrophobicContact CB-CZ 4.48Å; L81-F185 HydrophobicContact CD1-CD2 4.49Å; L81-F185 HydrophobicContact CD1-CE1 4.31Å; L81-F185 HydrophobicContact CD1-CE2 3.99Å; L81-F185 HydrophobicContact CD1-CZ 3.89Å; L81-F185 HydrophobicContact CD2-CE2 4.38Å; L81-F185 HydrophobicContact CG-CE2 4.24Å; L170-F185 HydrophobicContact CD1-CD1 4.47Å; L170-F185 HydrophobicContact CD2-CD1 4.09Å; L170-F185 HydrophobicContact CD2-CE1 3.81Å; L170-F185 HydrophobicContact CD2-CZ 4.43Å; S181-F185 VanDerWaalsContact O-CB 3.3Å; S181-F185 WeakPolarHBondContact O-CB 3.4Å; S181-F185 PolarHBondContact O-N 2.91Å; F182-F185 WeakPolarHBondContact O-CB 3.44Å; F182-F185 PolarHBondContact O-N 3.34Å; F182-F185 VanDerWaalsContact O-N 3.15Å; F183-F185 VanDerWaalsContact C-N 3.34Å; F185-S187 VanDerWaalsContact C-N 3.31Å; F185-S187 PolarHBondContact O-N 2.94Å; F185-C188 PolarHBondContact O-N 3.24Å; F185-L189 HydrophobicContact CE1-CD2 4.37Å; F185-L189 HydrophobicContact CE2-CB 4.42Å; F185-L189 HydrophobicContact CE2-CD2 4.12Å; F185-L189 HydrophobicContact CZ-CD2 3.76Å; F185-L189 WeakPolarHBondContact O-CB 3.25Å; F185-L189 PolarHBondContact O-N 2.8Å
186I98.3Very high97.7Very high4 Ų429.2 Ų29.22%0.02115%0.149CC..Hα-helixtrans-66.2-35.1-178.665.2178.3000111.6F182 F183 S190 L238 T239 H242F182-I186 HydrophobicContact CD2-CG2 4.17Å; F182-I186 HydrophobicContact CE1-CD1 3.87Å; F182-I186 HydrophobicContact CE2-CG2 3.64Å; F182-I186 HydrophobicContact CZ-CD1 3.85Å; F182-I186 HydrophobicContact CZ-CG2 3.96Å; F182-I186 PolarHBondContact O-N 3.15Å; F183-I186 HydrophobicContact CD2-CD1 4.21Å; F183-I186 HydrophobicContact CD2-CG1 4.39Å; F183-I186 WeakPolarHBondContact O-CG1 3.49Å; I186-S190 VanDerWaalsContact O-CB 3.32Å; I186-S190 WeakPolarHBondContact O-CB 3.42Å; I186-S190 PolarHBondContact O-N 3.25Å; I186-S190 PolarHBondContact O-OG 2.95Å; I186-L238 HydrophobicContact CD1-CG 4.43Å; I186-L238 HydrophobicContact CG2-CD2 4.31Å; I186-T239 PolarHBondContact O-OG1 2.88Å; I186-H242 HydrophobicContact CD1-CB 3.73Å
187S98.1Very high97.8Very high24 Ų2428.3 Ų28.317%0.16815%0.148CC..Hα-helixtrans-67.7-45177.8-58.30000111.4F183 L184 F185 S190 M191F183-S187 VanDerWaalsContact O-CB 3.24Å; F183-S187 WeakPolarHBondContact O-CB 3.35Å; F183-S187 PolarHBondContact O-N 3.21Å; F183-S187 PolarHBondContact O-OG 3.31Å; L184-S187 PolarHBondContact O-N 3.14Å; F185-S187 VanDerWaalsContact C-N 3.31Å; F185-S187 PolarHBondContact O-N 2.94Å; S187-S190 PolarHBondContact O-N 3.2Å; S187-M191 WeakPolarHBondContact O-CG 3.49Å; S187-M191 PolarHBondContact O-N 3.31Å
188C97.8Very high97.9Very high2 Ų228.3 Ų28.31%0.01416%0.156CC..Hα-helixtrans-68.6-39.8177.7-168.70000111.9L73 V76 C77 L184 F185 M191 L192L73-C188 PolarHBondContact O-SG 2.95Å; V76-C188 HydrophobicContact CG1-CB 4.23Å; C77-C188 HydrophobicContact CB-CB 4.45Å; L184-C188 WeakPolarHBondContact O-CB 3.4Å; L184-C188 PolarHBondContact O-N 3.39Å; F185-C188 PolarHBondContact O-N 3.24Å; C188-M191 HydrophobicContact CB-CE 4.44Å; C188-M191 PolarHBondContact O-N 2.92Å; C188-L192 WeakPolarHBondContact O-CB 3.5Å; C188-L192 PolarHBondContact O-N 3.49Å
189L98.4Very high97.9Very high21 Ų2128.7 Ų28.711%0.1116%0.159CC..Hα-helixtrans-63-43.1174.3-176.961.9000111.5I43 F185 L192 I193 V235I43-L189 HydrophobicContact CD1-CD1 4.18Å; I43-L189 HydrophobicContact CG1-CD1 4.12Å; F185-L189 HydrophobicContact CE1-CD2 4.37Å; F185-L189 HydrophobicContact CE2-CB 4.42Å; F185-L189 HydrophobicContact CE2-CD2 4.12Å; F185-L189 HydrophobicContact CZ-CD2 3.76Å; F185-L189 WeakPolarHBondContact O-CB 3.25Å; F185-L189 PolarHBondContact O-N 2.8Å; L189-L192 PolarHBondContact O-N 3.45Å; L189-I193 HydrophobicContact CD1-CD1 4.11Å; L189-I193 HydrophobicContact CD1-CG1 4.27Å; L189-I193 HydrophobicContact CG-CD1 3.86Å; L189-I193 HydrophobicContact CG-CG1 4.44Å; L189-I193 WeakPolarHBondContact O-CB 3.28Å; L189-I193 VanDerWaalsContact O-CG1 3.28Å; L189-I193 WeakPolarHBondContact O-CG1 3.49Å; L189-I193 PolarHBondContact O-N 2.97Å; L189-V235 HydrophobicContact CB-CG1 4.36Å; L189-V235 HydrophobicContact CD2-CG1 3.86Å; L189-V235 HydrophobicContact CD2-CG2 4.41Å; L189-V235 HydrophobicContact CG-CG1 3.96Å
190S98.5Very high97.8Very high8 Ų827.4 Ų27.46%0.05615%0.154CC..Hα-helixtrans-59.3-46.5173.5-80.60000112.3I186 S187 L192 I193 V194 V235 V236 T239I186-S190 VanDerWaalsContact O-CB 3.32Å; I186-S190 WeakPolarHBondContact O-CB 3.42Å; I186-S190 PolarHBondContact O-N 3.25Å; I186-S190 PolarHBondContact O-OG 2.95Å; S187-S190 PolarHBondContact O-N 3.2Å; S190-L192 VanDerWaalsContact C-N 3.34Å; S190-L192 PolarHBondContact O-N 3.42Å; S190-I193 PolarHBondContact O-N 3.06Å; S190-V194 WeakPolarHBondContact O-CG2 3.23Å; S190-V194 PolarHBondContact O-N 2.98Å; S190-V235 PolarHBondContact OG-O 2.73Å; S190-V236 WeakPolarHBondContact OG-CA 3.41Å; S190-T239 WeakPolarHBondContact OG-CB 3.4Å; S190-T239 PolarHBondContact OG-OG1 3.02Å
191M98.3Very high97.6Very high104 Ų10429.4 Ų29.451%0.51216%0.164SC..Hα-helixtrans-61.7-42.4175.6-71.8-174.5-68.700111.7L73 S187 C188 F195L73-M191 HydrophobicContact CD2-CB 4.16Å; L73-M191 HydrophobicContact CD2-CE 4.35Å; S187-M191 WeakPolarHBondContact O-CG 3.49Å; S187-M191 PolarHBondContact O-N 3.31Å; C188-M191 HydrophobicContact CB-CE 4.44Å; C188-M191 PolarHBondContact O-N 2.92Å; M191-F195 WeakPolarHBondContact O-CB 3.45Å; M191-F195 PolarHBondContact O-N 3Å
192L98.3Very high97.5Very high6 Ų631 Ų313%0.03117%0.172CC..Hα-helixtrans-63.3-46.3177.7-177.761.4000111.8M47 L73 C188 L189 S190 F195 V196M47-L192 HydrophobicContact CE-CD1 4.1Å; M47-L192 HydrophobicContact CG-CD2 4.35Å; M47-L192 HydrophobicContact SD-CD1 3.8Å; M47-L192 HydrophobicContact SD-CD2 3.86Å; M47-L192 HydrophobicContact SD-CG 4.03Å; L73-L192 HydrophobicContact CB-CB 4.32Å; L73-L192 HydrophobicContact CB-CD1 3.89Å; L73-L192 HydrophobicContact CD1-CD1 4.42Å; C188-L192 WeakPolarHBondContact O-CB 3.5Å; C188-L192 PolarHBondContact O-N 3.49Å; L189-L192 PolarHBondContact O-N 3.45Å; S190-L192 VanDerWaalsContact C-N 3.34Å; S190-L192 PolarHBondContact O-N 3.42Å; L192-F195 PolarHBondContact O-N 2.94Å; L192-V196 HydrophobicContact CD1-CG2 4.11Å; L192-V196 WeakPolarHBondContact O-CG2 3.14Å; L192-V196 PolarHBondContact O-N 2.66Å
193I98.4Very high97.3Very high12 Ų1231.5 Ų31.56%0.06217%0.174CC..Hα-helixtrans-61.7-48.7178.3-69.6165.1000110.5L189 S190 F195 V196 L197 T228 V235L189-I193 HydrophobicContact CD1-CD1 4.11Å; L189-I193 HydrophobicContact CD1-CG1 4.27Å; L189-I193 HydrophobicContact CG-CD1 3.86Å; L189-I193 HydrophobicContact CG-CG1 4.44Å; L189-I193 WeakPolarHBondContact O-CB 3.28Å; L189-I193 VanDerWaalsContact O-CG1 3.28Å; L189-I193 WeakPolarHBondContact O-CG1 3.49Å; L189-I193 PolarHBondContact O-N 2.97Å; S190-I193 PolarHBondContact O-N 3.06Å; I193-F195 VanDerWaalsContact C-N 3.32Å; I193-F195 PolarHBondContact O-N 3.3Å; I193-V196 PolarHBondContact O-N 3.44Å; I193-L197 WeakPolarHBondContact O-CB 3.46Å; I193-L197 PolarHBondContact O-N 3.26Å; I193-T228 WeakPolarHBondContact CG2-O 3.32Å; I193-V235 HydrophobicContact CD1-CB 3.87Å; I193-V235 HydrophobicContact CD1-CG1 3.96Å; I193-V235 HydrophobicContact CD1-CG2 3.97Å
194V98.2Very high97Very high70 Ų7031.8 Ų31.842%0.42418%0.176SC..Hα-helixtrans-63.5-40.3179172.50000111S190 T198 V236S190-V194 WeakPolarHBondContact O-CG2 3.23Å; S190-V194 PolarHBondContact O-N 2.98Å; V194-T198 WeakPolarHBondContact O-CB 3.41Å; V194-T198 PolarHBondContact O-N 3.09Å; V194-T198 PolarHBondContact O-OG1 3.1Å; V194-V236 HydrophobicContact CG2-CG2 3.97Å
195F98.2Very high96.6Very high49 Ų4934.7 Ų34.722%0.21519%0.191CC..Hα-helixtrans-62.3-51.3177.5178.2-96.7000112F50 I66 V69 A70 L73 M191 L192 I193 T198 C199F50-F195 HydrophobicContact CZ-CE1 4.42Å; I66-F195 HydrophobicContact CB-CZ 4.33Å; I66-F195 HydrophobicContact CG1-CZ 4.44Å; I66-F195 HydrophobicContact CG2-CE1 4.12Å; I66-F195 HydrophobicContact CG2-CZ 3.86Å; V69-F195 HydrophobicContact CB-CE2 4.29Å; V69-F195 HydrophobicContact CB-CZ 4.05Å; V69-F195 HydrophobicContact CG1-CD2 4.17Å; V69-F195 HydrophobicContact CG1-CE1 4.44Å; V69-F195 HydrophobicContact CG1-CE2 3.78Å; V69-F195 HydrophobicContact CG1-CZ 3.92Å; A70-F195 HydrophobicContact CB-CE1 4.01Å; L73-F195 HydrophobicContact CD1-CB 4.32Å; L73-F195 HydrophobicContact CD1-CG 4.4Å; M191-F195 WeakPolarHBondContact O-CB 3.45Å; M191-F195 PolarHBondContact O-N 3Å; L192-F195 PolarHBondContact O-N 2.94Å; I193-F195 VanDerWaalsContact C-N 3.32Å; I193-F195 PolarHBondContact O-N 3.3Å; F195-T198 PolarHBondContact O-N 3.5Å; F195-C199 PolarHBondContact O-N 3.43Å; F195-C199 PolarHBondContact O-SG 2.77Å
196V98.1Very high96.2Very high2 Ų237.1 Ų37.11%0.01220%0.204CC..Hα-helixtrans-64.8-45178.7175.40000110.5M47 F50 L192 I193 T198 C199 E200 V224 T228M47-V196 HydrophobicContact SD-CG2 4.18Å; F50-V196 HydrophobicContact CD1-CG2 4.35Å; F50-V196 HydrophobicContact CD2-CG1 3.69Å; F50-V196 HydrophobicContact CD2-CG2 4.37Å; F50-V196 HydrophobicContact CE1-CG2 4.37Å; F50-V196 HydrophobicContact CE2-CG1 4.03Å; F50-V196 HydrophobicContact CE2-CG2 4.38Å; F50-V196 HydrophobicContact CG-CG1 4.19Å; F50-V196 HydrophobicContact CG-CG2 4.34Å; F50-V196 HydrophobicContact CZ-CG2 4.38Å; L192-V196 HydrophobicContact CD1-CG2 4.11Å; L192-V196 WeakPolarHBondContact O-CG2 3.14Å; L192-V196 PolarHBondContact O-N 2.66Å; I193-V196 PolarHBondContact O-N 3.44Å; V196-T198 VanDerWaalsContact C-N 3.27Å; V196-T198 PolarHBondContact O-N 3.33Å; V196-C199 WeakPolarHBondContact O-CA 3.32Å; V196-C199 WeakPolarHBondContact O-CB 3.24Å; V196-C199 PolarHBondContact O-N 2.84Å; V196-E200 HydrophobicContact CG1-CG 4.46Å; V196-E200 WeakPolarHBondContact O-CG 3.32Å; V196-E200 PolarHBondContact O-N 3.33Å; V196-V224 HydrophobicContact CG1-CG1 3.5Å; V196-V224 VanDerWaalsContact CG1-CG1 3.5Å; V196-T228 HydrophobicContact CB-CG2 4.07Å; V196-T228 HydrophobicContact CG1-CG2 3.74Å
197L97.6Very high95.7Very high32 Ų3240.2 Ų40.217%0.16822%0.218CC..Hα-helixtrans-58.1-39.7176-179.259.1000112I193 E200 V201 L225 L229I193-L197 WeakPolarHBondContact O-CB 3.46Å; I193-L197 PolarHBondContact O-N 3.26Å; L197-E200 PolarHBondContact O-N 2.9Å; L197-V201 HydrophobicContact CD1-CG2 4.49Å; L197-V201 WeakPolarHBondContact O-CG2 3.45Å; L197-V201 PolarHBondContact O-N 2.92Å; L197-L225 HydrophobicContact CD1-CD1 3.77Å; L197-L229 HydrophobicContact CD1-CB 4.38Å
198T97.1Very high94.6Very high78 Ų7840.2 Ų40.248%0.47922%0.218SC..Hα-helixtrans-65.2-41.5175.7-56.90000111.2V194 F195 V196 V201 V202V194-T198 WeakPolarHBondContact O-CB 3.41Å; V194-T198 PolarHBondContact O-N 3.09Å; V194-T198 PolarHBondContact O-OG1 3.1Å; F195-T198 PolarHBondContact O-N 3.5Å; V196-T198 VanDerWaalsContact C-N 3.27Å; V196-T198 PolarHBondContact O-N 3.33Å; T198-V201 PolarHBondContact O-N 3.33Å; T198-V202 HydrophobicContact CG2-CG2 4.47Å; T198-V202 VanDerWaalsContact O-CG2 3.28Å; T198-V202 WeakPolarHBondContact O-CG2 3.43Å; T198-V202 PolarHBondContact O-N 3.43Å
199C96.9Very high93.6Very high10 Ų1048.7 Ų48.77%0.06826%0.263CS..Hα-helixtrans-59.3-49.3173.8-64.80000110.7F50 F58 F195 V196 V201 V202 R203F50-C199 HydrophobicContact CE2-CB 3.81Å; F50-C199 HydrophobicContact CZ-CB 4.15Å; F58-C199 HydrophobicContact CD2-CB 4.43Å; F58-C199 HydrophobicContact CE2-CB 3.67Å; F58-C199 HydrophobicContact CZ-CB 3.79Å; F58-C199 WeakPolarHBondContact CZ-O 3.41Å; F195-C199 PolarHBondContact O-N 3.43Å; F195-C199 PolarHBondContact O-SG 2.77Å; V196-C199 WeakPolarHBondContact O-CA 3.32Å; V196-C199 WeakPolarHBondContact O-CB 3.24Å; V196-C199 PolarHBondContact O-N 2.84Å; C199-V201 VanDerWaalsContact C-N 3.35Å; C199-V201 PolarHBondContact O-N 2.8Å; C199-V202 PolarHBondContact O-N 3.5Å; C199-R203 PolarHBondContact O-N 3.12Å
200E94.9Very high92.9Very high0 Ų050.4 Ų50.40%028%0.277CS..Hα-helixtrans-57.8-46178.2-65.4-53.7118.600112.1V196 L197 V202 R203 I204 S221 V224 L225V196-E200 HydrophobicContact CG1-CG 4.46Å; V196-E200 WeakPolarHBondContact O-CG 3.32Å; V196-E200 PolarHBondContact O-N 3.33Å; L197-E200 PolarHBondContact O-N 2.9Å; E200-V202 PolarHBondContact O-N 3.28Å; E200-R203 PolarHBondContact O-N 2.71Å; E200-I204 WeakPolarHBondContact O-CD1 3.32Å; E200-I204 WeakPolarHBondContact O-CG1 3.35Å; E200-I204 PolarHBondContact O-N 2.94Å; E200-S221 WeakPolarHBondContact OE2-CB 3.33Å; E200-S221 VanDerWaalsContact OE2-O 3.12Å; E200-V224 HydrophobicContact CG-CG1 4.04Å; E200-L225 HydrophobicContact CB-CB 4.15Å; E200-L225 HydrophobicContact CB-CD1 3.71Å; E200-L225 HydrophobicContact CG-CB 4.17Å; E200-L225 HydrophobicContact CG-CD1 4.49Å
201V93.9Very high92.2Very high67 Ų6756.3 Ų56.341%0.40630%0.299SS..Hα-helixtrans-61.6-43.8177.5171.20000111.6L197 T198 C199 R203 I204 I205L197-V201 HydrophobicContact CD1-CG2 4.49Å; L197-V201 WeakPolarHBondContact O-CG2 3.45Å; L197-V201 PolarHBondContact O-N 2.92Å; T198-V201 PolarHBondContact O-N 3.33Å; C199-V201 VanDerWaalsContact C-N 3.35Å; C199-V201 PolarHBondContact O-N 2.8Å; V201-R203 PolarHBondContact O-N 2.9Å; V201-I204 PolarHBondContact O-N 3.41Å; V201-I205 HydrophobicContact CG1-CD1 3.78Å; V201-I205 VanDerWaalsContact O-CG1 3.29Å; V201-I205 WeakPolarHBondContact O-CG1 3.43Å; V201-I205 PolarHBondContact O-N 3.34Å; V201-I205 VanDerWaalsContact O-N 3.08Å
202V94.1Very high91.6Very high57 Ų5753.6 Ų53.635%0.34530%0.298SS..Hα-helixtrans-61.5-44.3177.1168.60000111F58 F62 T198 C199 E200 I205 D206F58-V202 HydrophobicContact CE1-CG1 4.1Å; F62-V202 HydrophobicContact CE2-CG1 4.32Å; F62-V202 HydrophobicContact CZ-CG1 4.05Å; T198-V202 HydrophobicContact CG2-CG2 4.47Å; T198-V202 VanDerWaalsContact O-CG2 3.28Å; T198-V202 WeakPolarHBondContact O-CG2 3.43Å; T198-V202 PolarHBondContact O-N 3.43Å; C199-V202 PolarHBondContact O-N 3.5Å; E200-V202 PolarHBondContact O-N 3.28Å; V202-I205 PolarHBondContact O-N 3.49Å; V202-D206 VanDerWaalsContact O-CB 3.29Å; V202-D206 WeakPolarHBondContact O-CB 3.17Å; V202-D206 PolarHBondContact O-N 3Å
203R93.5Very high91Very high14 Ų1459.7 Ų59.75%0.05332%0.324CS..Hα-helixtrans-62.8-43.1178.7-175-177174.81588.5111.8F53 D54 Y57 F58 C199 E200 V201 D206 E207 F214 N218 S221F53-R203 PolarHBondContact O-NH1 3.43Å; D54-R203 IonicContact OD1-CZ 3.64Å; D54-R203 IonicContact OD1-NH1 3.49Å; D54-R203 PolarHBondContact OD1-NH1 3.37Å; Y57-R203 HydrophobicContact CD1-CB 4.47Å; Y57-R203 HydrophobicContact CD1-CG 3.97Å; Y57-R203 HydrophobicContact CE1-CB 3.96Å; Y57-R203 HydrophobicContact CE1-CG 3.68Å; Y57-R203 HydrophobicContact CE2-CG 4.35Å; Y57-R203 HydrophobicContact CG-CG 4.45Å; F58-R203 HydrophobicContact CE2-CB 4.36Å; F58-R203 HydrophobicContact CZ-CB 4.01Å; C199-R203 PolarHBondContact O-N 3.12Å; E200-R203 PolarHBondContact O-N 2.71Å; V201-R203 PolarHBondContact O-N 2.9Å; R203-D206 PolarHBondContact O-N 2.83Å; R203-E207 HydrophobicContact CG-CG 4.25Å; R203-E207 IonicContact CZ-OE1 3.31Å; R203-E207 IonicContact CZ-OE2 2.84Å; R203-E207 IonicContact NE-OE1 2.97Å; R203-E207 PolarHBondContact NE-OE1 3.38Å; R203-E207 IonicContact NE-OE2 3.97Å; R203-E207 PolarHBondContact NE-OE2 3.16Å; R203-E207 IonicContact NH2-OE1 3.4Å; R203-E207 PolarHBondContact NH2-OE1 2.86Å; R203-E207 IonicContact NH2-OE2 3.83Å; R203-E207 PolarHBondContact NH2-OE2 2.96Å; R203-E207 WeakPolarHBondContact O-CB 3.44Å; R203-E207 PolarHBondContact O-N 3.29Å; R203-F214 HydrophobicContact CG-CE2 3.98Å; R203-F214 HydrophobicContact CG-CZ 4.39Å; R203-N218 PolarHBondContact NH2-OD1 2.93Å; R203-S221 PolarHBondContact NH1-OG 2.64Å
204I91.6Very high90.6Very high28 Ų2859.1 Ų59.114%0.14432%0.321CS..Hα-helixtrans-62-46.1178.7-68.5161.7000111.2E200 V201 D206 C208 Y211 F214 L225E200-I204 WeakPolarHBondContact O-CD1 3.32Å; E200-I204 WeakPolarHBondContact O-CG1 3.35Å; E200-I204 PolarHBondContact O-N 2.94Å; V201-I204 PolarHBondContact O-N 3.41Å; I204-D206 PolarHBondContact O-N 2.81Å; I204-C208 PolarHBondContact O-N 3.14Å; I204-Y211 HydrophobicContact CG2-CD2 4.42Å; I204-F214 HydrophobicContact CD1-CD1 4.43Å; I204-F214 HydrophobicContact CD1-CE1 4.13Å; I204-F214 HydrophobicContact CG1-CD1 3.76Å; I204-F214 HydrophobicContact CG1-CD2 4.11Å; I204-F214 HydrophobicContact CG1-CE1 3.54Å; I204-F214 HydrophobicContact CG1-CE2 3.91Å; I204-F214 HydrophobicContact CG1-CG 4.03Å; I204-F214 HydrophobicContact CG1-CZ 3.61Å; I204-L225 HydrophobicContact CD1-CD1 4.12Å; I204-L225 HydrophobicContact CD1-CD2 3.51Å; I204-L225 HydrophobicContact CD1-CG 4.36Å
205I90.6Very high90.3Very high131 Ų13158.1 Ų58.167%0.67232%0.315SS*.Hα-helixtrans-61.7-35.5178.6-69.3167.9000110.8V201 V202V201-I205 HydrophobicContact CG1-CD1 3.78Å; V201-I205 VanDerWaalsContact O-CG1 3.29Å; V201-I205 WeakPolarHBondContact O-CG1 3.43Å; V201-I205 PolarHBondContact O-N 3.34Å; V201-I205 VanDerWaalsContact O-N 3.08Å; V202-I205 PolarHBondContact O-N 3.49Å
206D90.3Very high89.9Confident61 Ų6159.7 Ų59.733%0.32634%0.336SS..Hα-helixtrans-83.5-39.4-175178.384.5000114.3Y57 K61 V202 R203 I204Y57-D206 VanDerWaalsContact OH-CB 3.28Å; Y57-D206 WeakPolarHBondContact OH-CB 3.2Å; Y57-D206 PolarHBondContact OH-OD2 3.38Å; K61-D206 WeakPolarHBondContact CD-OD2 3.46Å; K61-D206 WeakPolarHBondContact CE-OD1 3.48Å; K61-D206 VanDerWaalsContact CE-OD2 3.27Å; K61-D206 WeakPolarHBondContact CE-OD2 3.46Å; K61-D206 IonicContact NZ-OD1 3.72Å; K61-D206 PolarHBondContact NZ-OD1 3.2Å; K61-D206 IonicContact NZ-OD2 3.26Å; K61-D206 PolarHBondContact NZ-OD2 2.88Å; V202-D206 VanDerWaalsContact O-CB 3.29Å; V202-D206 WeakPolarHBondContact O-CB 3.17Å; V202-D206 PolarHBondContact O-N 3Å; R203-D206 PolarHBondContact O-N 2.83Å; I204-D206 PolarHBondContact O-N 2.81Å
207E86.7Confident89.6Confident68 Ų6865.9 Ų65.932%0.31837%0.366SS..Hα-helixtrans-84.7-20.4-175.7-73.7-170153.900113.6Y57 R203 F214 N218Y57-E207 HydrophobicContact CD2-CG 4.49Å; Y57-E207 VanDerWaalsContact CD2-OE1 3.24Å; Y57-E207 WeakPolarHBondContact CD2-OE1 3.31Å; Y57-E207 HydrophobicContact CE2-CG 3.73Å; Y57-E207 VanDerWaalsContact CE2-OE1 3.31Å; Y57-E207 WeakPolarHBondContact CE2-OE1 3.48Å; R203-E207 HydrophobicContact CG-CG 4.25Å; R203-E207 IonicContact CZ-OE1 3.31Å; R203-E207 IonicContact CZ-OE2 2.84Å; R203-E207 IonicContact NE-OE1 2.97Å; R203-E207 PolarHBondContact NE-OE1 3.38Å; R203-E207 IonicContact NE-OE2 3.97Å; R203-E207 PolarHBondContact NE-OE2 3.16Å; R203-E207 IonicContact NH2-OE1 3.4Å; R203-E207 PolarHBondContact NH2-OE1 2.86Å; R203-E207 IonicContact NH2-OE2 3.83Å; R203-E207 PolarHBondContact NH2-OE2 2.96Å; R203-E207 WeakPolarHBondContact O-CB 3.44Å; R203-E207 PolarHBondContact O-N 3.29Å; E207-F214 HydrophobicContact CB-CD2 4.41Å; E207-F214 WeakPolarHBondContact OE2-CE2 3.44Å; E207-N218 PolarHBondContact OE2-ND2 3.42Å
208C74.6Confident89.4Confident24 Ų2465.7 Ų65.716%0.16237%0.365CS..  trans-142123.6-161.9-80.50000116I204 S210 F214I204-C208 PolarHBondContact O-N 3.14Å; C208-S210 PolarHBondContact O-N 2.94Å; C208-F214 HydrophobicContact CB-CB 4.04Å; C208-F214 VanDerWaalsContact SG-CA 3.54Å; C208-F214 VanDerWaalsContact SG-CB 3.53Å; C208-F214 PolarHBondContact SG-N 3.3Å
209D76.6Confident89.3Confident181 Ų18165.1 Ų65.197%0.96836%0.362SS*.SBendtrans-65.6-19.8161.2-62.5-38.7000112.4
210S85.1Confident89.3Confident56 Ų5668.7 Ų68.739%0.39238%0.377SS..  trans-142.2124.9-176.41750000112.1C208 G212 K213 F214C208-S210 PolarHBondContact O-N 2.94Å; S210-G212 VanDerWaalsContact C-N 3.26Å; S210-G212 PolarHBondContact O-N 3.08Å; S210-K213 PolarHBondContact O-N 2.95Å; S210-K213 VanDerWaalsContact O-N 3.16Å; S210-F214 PolarHBondContact O-N 2.68Å
211Y83.5Confident89.3Confident133 Ų13368.8 Ų68.852%0.52238%0.377SS..Hα-helixtrans-54.7-38.1176.8-179.7-102.2000113.3I204 K213 F214 V215 L225I204-Y211 HydrophobicContact CG2-CD2 4.42Å; Y211-K213 VanDerWaalsContact C-N 3.28Å; Y211-K213 PolarHBondContact O-N 3.27Å; Y211-F214 WeakPolarHBondContact O-CB 3.44Å; Y211-F214 PolarHBondContact O-N 3.07Å; Y211-V215 HydrophobicContact CD1-CG2 4.07Å; Y211-V215 HydrophobicContact CE1-CG2 3.58Å; Y211-V215 HydrophobicContact CE2-CG2 4.11Å; Y211-V215 WeakPolarHBondContact O-CG2 3.29Å; Y211-V215 PolarHBondContact O-N 2.89Å; Y211-V215 VanDerWaalsContact O-N 3.09Å; Y211-L225 HydrophobicContact CE2-CD2 4.23Å
212G84.8Confident89.3Confident47 Ų4766.7 Ų66.749%0.48537%0.365SS..Hα-helixtrans-62.8-34-179.100000113.3S210 A216S210-G212 VanDerWaalsContact C-N 3.26Å; S210-G212 PolarHBondContact O-N 3.08Å; G212-A216 PolarHBondContact O-N 3.36Å
213K87.5Confident89.4Confident134 Ų13467.7 Ų67.758%0.58337%0.367SS*.Hα-helixtrans-71.3-41175.1-69.6-176.1-179.4175.90111.5S210 Y211 V215 A216 Q217S210-K213 PolarHBondContact O-N 2.95Å; S210-K213 VanDerWaalsContact O-N 3.16Å; Y211-K213 VanDerWaalsContact C-N 3.28Å; Y211-K213 PolarHBondContact O-N 3.27Å; K213-V215 VanDerWaalsContact C-N 3.33Å; K213-V215 PolarHBondContact O-N 3.08Å; K213-A216 PolarHBondContact O-N 3.09Å; K213-Q217 WeakPolarHBondContact O-CB 3.27Å; K213-Q217 WeakPolarHBondContact O-CG 3.49Å; K213-Q217 PolarHBondContact O-N 3.21Å
214F89.2Confident89.7Confident0 Ų067.1 Ų67.10%037%0.365CS..Hα-helixtrans-56-49.6176.4-177.3-95.3000111R203 I204 E207 C208 S210 Y211 A216 Q217 N218R203-F214 HydrophobicContact CG-CE2 3.98Å; R203-F214 HydrophobicContact CG-CZ 4.39Å; I204-F214 HydrophobicContact CD1-CD1 4.43Å; I204-F214 HydrophobicContact CD1-CE1 4.13Å; I204-F214 HydrophobicContact CG1-CD1 3.76Å; I204-F214 HydrophobicContact CG1-CD2 4.11Å; I204-F214 HydrophobicContact CG1-CE1 3.54Å; I204-F214 HydrophobicContact CG1-CE2 3.91Å; I204-F214 HydrophobicContact CG1-CG 4.03Å; I204-F214 HydrophobicContact CG1-CZ 3.61Å; E207-F214 HydrophobicContact CB-CD2 4.41Å; E207-F214 WeakPolarHBondContact OE2-CE2 3.44Å; C208-F214 HydrophobicContact CB-CB 4.04Å; C208-F214 VanDerWaalsContact SG-CA 3.54Å; C208-F214 VanDerWaalsContact SG-CB 3.53Å; C208-F214 PolarHBondContact SG-N 3.3Å; S210-F214 PolarHBondContact O-N 2.68Å; Y211-F214 WeakPolarHBondContact O-CB 3.44Å; Y211-F214 PolarHBondContact O-N 3.07Å; F214-A216 VanDerWaalsContact C-N 3.32Å; F214-A216 PolarHBondContact O-N 3.2Å; F214-Q217 PolarHBondContact O-N 2.8Å; F214-N218 WeakPolarHBondContact CD2-ND2 3.33Å; F214-N218 HydrophobicContact CE1-CB 4.21Å; F214-N218 HydrophobicContact CE2-CB 4.15Å; F214-N218 VanDerWaalsContact CE2-ND2 3.31Å; F214-N218 WeakPolarHBondContact CE2-ND2 3.19Å; F214-N218 HydrophobicContact CZ-CB 3.98Å; F214-N218 WeakPolarHBondContact O-CB 3.32Å; F214-N218 PolarHBondContact O-N 3.46Å
215V90.8Very high89.8Confident49 Ų4966.6 Ų66.630%0.29736%0.363SS..Hα-helixtrans-60.5-42.1-179.3172.80000111.9Y211 K213 Q217 T222Y211-V215 HydrophobicContact CD1-CG2 4.07Å; Y211-V215 HydrophobicContact CE1-CG2 3.58Å; Y211-V215 HydrophobicContact CE2-CG2 4.11Å; Y211-V215 WeakPolarHBondContact O-CG2 3.29Å; Y211-V215 PolarHBondContact O-N 2.89Å; Y211-V215 VanDerWaalsContact O-N 3.09Å; K213-V215 VanDerWaalsContact C-N 3.33Å; K213-V215 PolarHBondContact O-N 3.08Å; V215-Q217 VanDerWaalsContact C-N 3.35Å; V215-Q217 PolarHBondContact O-N 3.41Å; V215-T222 WeakPolarHBondContact CA-OG1 3.24Å; V215-T222 HydrophobicContact CB-CG2 4.44Å; V215-T222 HydrophobicContact CG1-CG2 4.08Å; V215-T222 HydrophobicContact CG2-CG2 3.86Å
216A90.7Very high90.1Very high81 Ų8166.8 Ų66.867%0.66936%0.359SS*.Hα-helixtrans-68.1-33.5179.600000113G212 K213 F214G212-A216 PolarHBondContact O-N 3.36Å; K213-A216 PolarHBondContact O-N 3.09Å; F214-A216 VanDerWaalsContact C-N 3.32Å; F214-A216 PolarHBondContact O-N 3.2Å
217Q91.7Very high90.5Very high133 Ų13365.2 Ų65.262%0.62135%0.351SS*.Hα-helixtrans-88.9-31.4-177.3-69177.2-16.200113.1K213 F214 V215 P219K213-Q217 WeakPolarHBondContact O-CB 3.27Å; K213-Q217 WeakPolarHBondContact O-CG 3.49Å; K213-Q217 PolarHBondContact O-N 3.21Å; F214-Q217 PolarHBondContact O-N 2.8Å; V215-Q217 VanDerWaalsContact C-N 3.35Å; V215-Q217 PolarHBondContact O-N 3.41Å; Q217-P219 VanDerWaalsContact C-CD 3.43Å; Q217-P219 WeakPolarHBondContact O-CD 3.35Å
218N94.4Very high91Very high28 Ų2862.1 Ų62.115%0.1534%0.337CS..  trans-125.562.8-175-58.6-61.6000111.7R203 E207 F214 F220 S221 T222R203-N218 PolarHBondContact NH2-OD1 2.93Å; E207-N218 PolarHBondContact OE2-ND2 3.42Å; F214-N218 WeakPolarHBondContact CD2-ND2 3.33Å; F214-N218 HydrophobicContact CE1-CB 4.21Å; F214-N218 HydrophobicContact CE2-CB 4.15Å; F214-N218 VanDerWaalsContact CE2-ND2 3.31Å; F214-N218 WeakPolarHBondContact CE2-ND2 3.19Å; F214-N218 HydrophobicContact CZ-CB 3.98Å; F214-N218 WeakPolarHBondContact O-CB 3.32Å; F214-N218 PolarHBondContact O-N 3.46Å; N218-F220 VanDerWaalsContact C-N 3.31Å; N218-F220 PolarHBondContact O-N 3.28Å; N218-S221 PolarHBondContact O-N 3.47Å; N218-T222 PolarHBondContact O-N 3.36Å; N218-T222 PolarHBondContact O-OG1 3.3Å
219P94.7Very high92Very high66 Ų6665.7 Ų65.743%0.42935%0.354SS..Hα-helixtrans-62.2-35.6-175.524.3-34.4000113.1Q217 T222 I223Q217-P219 VanDerWaalsContact C-CD 3.43Å; Q217-P219 WeakPolarHBondContact O-CD 3.35Å; P219-T222 WeakPolarHBondContact O-CB 3.37Å; P219-T222 PolarHBondContact O-N 3.13Å; P219-I223 WeakPolarHBondContact O-CG1 3.31Å; P219-I223 PolarHBondContact O-N 3.16Å; P219-I223 VanDerWaalsContact O-N 3.09Å
220F96.2Very high93Very high85 Ų8561 Ų6137%0.37333%0.332SS..Hα-helixtrans-73.6-41.7-179.5-61.8-70.8000113F49 F53 N218 T222 I223 V224F49-F220 HydrophobicContact CD2-CB 4.34Å; F49-F220 HydrophobicContact CD2-CD1 4.17Å; F49-F220 HydrophobicContact CE1-CD1 4.2Å; F49-F220 AromaticContact CE2-CD1 3.75Å; F49-F220 HydrophobicContact CE2-CD1 3.75Å; F49-F220 HydrophobicContact CE2-CE1 4.45Å; F49-F220 HydrophobicContact CG-CB 4.48Å; F49-F220 AromaticContact CZ-CD1 3.76Å; F49-F220 HydrophobicContact CZ-CD1 3.76Å; F49-F220 HydrophobicContact CZ-CE1 4.1Å; F53-F220 HydrophobicContact CD1-CB 4.37Å; F53-F220 HydrophobicContact CD1-CD2 4.12Å; F53-F220 HydrophobicContact CD2-CB 3.35Å; F53-F220 HydrophobicContact CD2-CD2 4.17Å; F53-F220 AromaticContact CD2-CG 3.87Å; F53-F220 HydrophobicContact CD2-CG 3.87Å; F53-F220 HydrophobicContact CE1-CB 4.47Å; F53-F220 AromaticContact CE1-CD2 3.55Å; F53-F220 HydrophobicContact CE1-CD2 3.55Å; F53-F220 HydrophobicContact CE1-CE2 4.08Å; F53-F220 HydrophobicContact CE1-CG 4.22Å; F53-F220 HydrophobicContact CE2-CB 3.48Å; F53-F220 VanDerWaalsContact CE2-CB 3.48Å; F53-F220 HydrophobicContact CE2-CD1 4.04Å; F53-F220 AromaticContact CE2-CD2 3.62Å; F53-F220 HydrophobicContact CE2-CD2 3.62Å; F53-F220 HydrophobicContact CE2-CE2 4.34Å; F53-F220 AromaticContact CE2-CG 3.43Å; F53-F220 HydrophobicContact CE2-CG 3.43Å; F53-F220 VanDerWaalsContact CE2-CG 3.43Å; F53-F220 HydrophobicContact CG-CB 3.85Å; F53-F220 HydrophobicContact CG-CD2 4.41Å; F53-F220 HydrophobicContact CG-CG 4.44Å; F53-F220 HydrophobicContact CZ-CB 4.06Å; F53-F220 HydrophobicContact CZ-CD1 4.33Å; F53-F220 AromaticContact CZ-CD2 3.26Å; F53-F220 HydrophobicContact CZ-CD2 3.26Å; F53-F220 AromaticContact CZ-CE2 3.7Å; F53-F220 HydrophobicContact CZ-CE2 3.7Å; F53-F220 AromaticContact CZ-CG 3.63Å; F53-F220 HydrophobicContact CZ-CG 3.63Å; F53-F220 HydrophobicContact CZ-CZ 4.39Å; N218-F220 VanDerWaalsContact C-N 3.31Å; N218-F220 PolarHBondContact O-N 3.28Å; F220-T222 PolarHBondContact O-N 3.36Å; F220-I223 HydrophobicContact CD1-CD1 4.33Å; F220-I223 WeakPolarHBondContact O-CB 3.39Å; F220-I223 PolarHBondContact O-N 3.44Å; F220-I223 VanDerWaalsContact O-N 3.08Å; F220-V224 PolarHBondContact O-N 3.28Å
221S95.5Very high93.6Very high2 Ų259.9 Ų59.91%0.01432%0.323CS..Hα-helixtrans-59.9-38.2170.1-530000110.8D54 E200 R203 N218 I223 V224 L225D54-S221 WeakPolarHBondContact OD1-CB 3.45Å; D54-S221 PolarHBondContact OD1-OG 3.39Å; D54-S221 PolarHBondContact OD2-OG 3.39Å; E200-S221 WeakPolarHBondContact OE2-CB 3.33Å; E200-S221 VanDerWaalsContact OE2-O 3.12Å; R203-S221 PolarHBondContact NH1-OG 2.64Å; N218-S221 PolarHBondContact O-N 3.47Å; S221-I223 VanDerWaalsContact C-N 3.3Å; S221-I223 PolarHBondContact O-N 3Å; S221-V224 WeakPolarHBondContact O-CB 3.37Å; S221-V224 PolarHBondContact O-N 3.36Å; S221-V224 VanDerWaalsContact O-N 3.08Å; S221-L225 WeakPolarHBondContact O-CB 3.42Å; S221-L225 PolarHBondContact O-N 2.91Å
222T94.1Very high94.3Very high22 Ų2254.6 Ų54.614%0.13531%0.305CS..Hα-helixtrans-61.1-37.2173.7-54.10000112.4V215 N218 P219 F220 F226V215-T222 WeakPolarHBondContact CA-OG1 3.24Å; V215-T222 HydrophobicContact CB-CG2 4.44Å; V215-T222 HydrophobicContact CG1-CG2 4.08Å; V215-T222 HydrophobicContact CG2-CG2 3.86Å; N218-T222 PolarHBondContact O-N 3.36Å; N218-T222 PolarHBondContact O-OG1 3.3Å; P219-T222 WeakPolarHBondContact O-CB 3.37Å; P219-T222 PolarHBondContact O-N 3.13Å; F220-T222 PolarHBondContact O-N 3.36Å; T222-F226 WeakPolarHBondContact O-CB 3.31Å; T222-F226 PolarHBondContact O-N 3.04Å
223I96.5Very high94.8Very high79 Ų7958.8 Ų58.841%0.40532%0.316SS..Hα-helixtrans-64.9-44.2172.8-66.5166.1000110.5F49 P219 F220 S221 F226 V227F49-I223 HydrophobicContact CD2-CG2 4.31Å; F49-I223 HydrophobicContact CE2-CD1 4.25Å; F49-I223 HydrophobicContact CE2-CG2 4.29Å; P219-I223 WeakPolarHBondContact O-CG1 3.31Å; P219-I223 PolarHBondContact O-N 3.16Å; P219-I223 VanDerWaalsContact O-N 3.09Å; F220-I223 HydrophobicContact CD1-CD1 4.33Å; F220-I223 WeakPolarHBondContact O-CB 3.39Å; F220-I223 PolarHBondContact O-N 3.44Å; F220-I223 VanDerWaalsContact O-N 3.08Å; S221-I223 VanDerWaalsContact C-N 3.3Å; S221-I223 PolarHBondContact O-N 3Å; I223-F226 PolarHBondContact O-N 2.91Å; I223-V227 HydrophobicContact CG2-CG2 4.32Å; I223-V227 WeakPolarHBondContact O-CG2 3.3Å; I223-V227 PolarHBondContact O-N 2.96Å
224V97.8Very high95.3Very high1 Ų156 Ų561%0.00631%0.311CS..Hα-helixtrans-59.9-47.6176.6173.90000110.9T46 F49 F50 V196 E200 F220 S221 F226 V227 T228T46-V224 HydrophobicContact CG2-CG1 4Å; T46-V224 HydrophobicContact CG2-CG2 4.46Å; F49-V224 HydrophobicContact CB-CG2 3.5Å; F50-V224 HydrophobicContact CB-CG1 4.45Å; V196-V224 HydrophobicContact CG1-CG1 3.5Å; V196-V224 VanDerWaalsContact CG1-CG1 3.5Å; E200-V224 HydrophobicContact CG-CG1 4.04Å; F220-V224 PolarHBondContact O-N 3.28Å; S221-V224 WeakPolarHBondContact O-CB 3.37Å; S221-V224 PolarHBondContact O-N 3.36Å; S221-V224 VanDerWaalsContact O-N 3.08Å; V224-F226 PolarHBondContact O-N 2.78Å; V224-V227 PolarHBondContact O-N 2.93Å; V224-T228 HydrophobicContact CG1-CG2 4.4Å; V224-T228 WeakPolarHBondContact O-CB 3.45Å; V224-T228 WeakPolarHBondContact O-CG2 3.07Å; V224-T228 PolarHBondContact O-N 3.29Å; V224-T228 PolarHBondContact O-OG1 3.01Å
225L95.7Very high95.7Very high17 Ų1757.2 Ų57.29%0.08932%0.319CS..Hα-helixtrans-55.6-49.3174.1175.471.3000111.3L197 E200 I204 Y211 S221 T228 L229L197-L225 HydrophobicContact CD1-CD1 3.77Å; E200-L225 HydrophobicContact CB-CB 4.15Å; E200-L225 HydrophobicContact CB-CD1 3.71Å; E200-L225 HydrophobicContact CG-CB 4.17Å; E200-L225 HydrophobicContact CG-CD1 4.49Å; I204-L225 HydrophobicContact CD1-CD1 4.12Å; I204-L225 HydrophobicContact CD1-CD2 3.51Å; I204-L225 HydrophobicContact CD1-CG 4.36Å; Y211-L225 HydrophobicContact CE2-CD2 4.23Å; S221-L225 WeakPolarHBondContact O-CB 3.42Å; S221-L225 PolarHBondContact O-N 2.91Å; L225-T228 PolarHBondContact O-N 3.18Å; L225-T228 PolarHBondContact O-OG1 2.83Å; L225-T228 VanDerWaalsContact O-OG1 3.08Å; L225-L229 WeakPolarHBondContact O-CB 3.36Å; L225-L229 PolarHBondContact O-N 3.35Å
226F96.2Very high96Very high135 Ų13557.7 Ų57.759%0.59232%0.321SS*.Hα-helixtrans-62.5-47.5-178.7178.7-100.6000111.8T222 I223 V224 L229 V230T222-F226 WeakPolarHBondContact O-CB 3.31Å; T222-F226 PolarHBondContact O-N 3.04Å; I223-F226 PolarHBondContact O-N 2.91Å; V224-F226 PolarHBondContact O-N 2.78Å; F226-L229 PolarHBondContact O-N 2.78Å; F226-V230 HydrophobicContact CD1-CG2 4.49Å; F226-V230 HydrophobicContact CD2-CG2 4.24Å; F226-V230 HydrophobicContact CE1-CG2 4.13Å; F226-V230 HydrophobicContact CE2-CG2 3.86Å; F226-V230 HydrophobicContact CZ-CG2 3.8Å; F226-V230 WeakPolarHBondContact O-CB 3.36Å; F226-V230 VanDerWaalsContact O-CG2 3.31Å; F226-V230 WeakPolarHBondContact O-CG2 3.34Å; F226-V230 PolarHBondContact O-N 2.9Å
227V97.6Very high96.4Very high28 Ų2856.9 Ų56.917%0.1731%0.311CS..Hα-helixtrans-63.6-46.1179.9173.60000110.8L42 T46 I223 V224 V230 T231L42-V227 HydrophobicContact CD2-CG1 4.25Å; T46-V227 WeakPolarHBondContact OG1-CG1 3.23Å; I223-V227 HydrophobicContact CG2-CG2 4.32Å; I223-V227 WeakPolarHBondContact O-CG2 3.3Å; I223-V227 PolarHBondContact O-N 2.96Å; V224-V227 PolarHBondContact O-N 2.93Å; V227-V230 PolarHBondContact O-N 3.38Å; V227-T231 HydrophobicContact CG1-CG2 4.36Å; V227-T231 WeakPolarHBondContact O-CB 3.37Å; V227-T231 VanDerWaalsContact O-CG2 3.31Å; V227-T231 WeakPolarHBondContact O-CG2 3.07Å; V227-T231 PolarHBondContact O-N 3.05Å; V227-T231 PolarHBondContact O-OG1 3.17Å
228T97.8Very high96.6Very high4 Ų453.7 Ų53.73%0.02530%0.298CS..Hα-helixtrans-66.3-38.717952.80000112.2T46 I193 V196 V224 L225 T231 S232T46-T228 HydrophobicContact CG2-CG2 4.12Å; I193-T228 WeakPolarHBondContact CG2-O 3.32Å; V196-T228 HydrophobicContact CB-CG2 4.07Å; V196-T228 HydrophobicContact CG1-CG2 3.74Å; V224-T228 HydrophobicContact CG1-CG2 4.4Å; V224-T228 WeakPolarHBondContact O-CB 3.45Å; V224-T228 WeakPolarHBondContact O-CG2 3.07Å; V224-T228 PolarHBondContact O-N 3.29Å; V224-T228 PolarHBondContact O-OG1 3.01Å; L225-T228 PolarHBondContact O-N 3.18Å; L225-T228 PolarHBondContact O-OG1 2.83Å; L225-T228 VanDerWaalsContact O-OG1 3.08Å; T228-T231 PolarHBondContact O-OG1 3.29Å; T228-S232 WeakPolarHBondContact O-CB 3.38Å; T228-S232 PolarHBondContact O-N 3.18Å
229L96.7Very high96.8Very high99 Ų9953.4 Ų53.452%0.51830%0.297SS..Hα-helixtrans-62.5-50.7175.3-178.464.5000111.5L197 L225 F226 T231 S232L197-L229 HydrophobicContact CD1-CB 4.38Å; L225-L229 WeakPolarHBondContact O-CB 3.36Å; L225-L229 PolarHBondContact O-N 3.35Å; F226-L229 PolarHBondContact O-N 2.78Å; L229-T231 VanDerWaalsContact C-N 3.34Å; L229-T231 PolarHBondContact O-N 3.01Å; L229-S232 PolarHBondContact O-N 3Å; L229-S232 PolarHBondContact O-OG 3.42Å
230V97.4Very high96.9Very high82 Ų8253.2 Ų53.250%0.49730%0.301SS..Hα-helixtrans-65.9-36.7-178171.40000112F226 V227 P234F226-V230 HydrophobicContact CD1-CG2 4.49Å; F226-V230 HydrophobicContact CD2-CG2 4.24Å; F226-V230 HydrophobicContact CE1-CG2 4.13Å; F226-V230 HydrophobicContact CE2-CG2 3.86Å; F226-V230 HydrophobicContact CZ-CG2 3.8Å; F226-V230 WeakPolarHBondContact O-CB 3.36Å; F226-V230 VanDerWaalsContact O-CG2 3.31Å; F226-V230 WeakPolarHBondContact O-CG2 3.34Å; F226-V230 PolarHBondContact O-N 2.9Å; V227-V230 PolarHBondContact O-N 3.38Å; V230-P234 VanDerWaalsContact O-CD 3.29Å; V230-P234 WeakPolarHBondContact O-CD 3.5Å
231T97.2Very high96.9Very high33 Ų3352.2 Ų52.220%0.20230%0.295CS..Hα-helixtrans-83.8-20.2-179.557.10000113.5V227 T228 L229 L233 P234 V235V227-T231 HydrophobicContact CG1-CG2 4.36Å; V227-T231 WeakPolarHBondContact O-CB 3.37Å; V227-T231 VanDerWaalsContact O-CG2 3.31Å; V227-T231 WeakPolarHBondContact O-CG2 3.07Å; V227-T231 PolarHBondContact O-N 3.05Å; V227-T231 PolarHBondContact O-OG1 3.17Å; T228-T231 PolarHBondContact O-OG1 3.29Å; L229-T231 VanDerWaalsContact C-N 3.34Å; L229-T231 PolarHBondContact O-N 3.01Å; T231-L233 PolarHBondContact O-N 3.34Å; T231-P234 WeakPolarHBondContact O-CD 2.96Å; T231-P234 WeakPolarHBondContact O-CG 3.44Å; T231-V235 WeakPolarHBondContact O-CB 3.12Å; T231-V235 VanDerWaalsContact O-CG2 3.25Å; T231-V235 WeakPolarHBondContact O-CG2 3.31Å; T231-V235 PolarHBondContact O-N 2.92Å; T231-V235 VanDerWaalsContact O-N 3.15Å
232S97.1Very high96.9Very high21 Ų2152.2 Ų52.215%0.14730%0.295CS..Hα-helixtrans-58-52.8-177.865.50000112.6T228 L229 V235 V236T228-S232 WeakPolarHBondContact O-CB 3.38Å; T228-S232 PolarHBondContact O-N 3.18Å; L229-S232 PolarHBondContact O-N 3Å; L229-S232 PolarHBondContact O-OG 3.42Å; S232-V235 PolarHBondContact O-N 3.32Å; S232-V236 WeakPolarHBondContact O-CB 3.05Å; S232-V236 WeakPolarHBondContact O-CG2 3.15Å; S232-V236 PolarHBondContact O-N 3Å
233L96.4Very high96.9Very high135 Ų13553 Ų5371%0.70730%0.304SS*.Hα-helixtrans-59.8-54.8-176.5-177.463.7000113.2T231 V235 S237T231-L233 PolarHBondContact O-N 3.34Å; L233-V235 PolarHBondContact O-N 3Å; L233-S237 VanDerWaalsContact O-CB 3.23Å; L233-S237 WeakPolarHBondContact O-CB 3.47Å; L233-S237 PolarHBondContact O-N 2.97Å; L233-S237 PolarHBondContact O-OG 2.75Å
234P97.4Very high96.7Very high75 Ų7552.6 Ų52.649%0.48730%0.297SS..Hα-helixtrans-65.6-38-178.924.3-33.7000112.9V230 T231 S237 L238V230-P234 VanDerWaalsContact O-CD 3.29Å; V230-P234 WeakPolarHBondContact O-CD 3.5Å; T231-P234 WeakPolarHBondContact O-CD 2.96Å; T231-P234 WeakPolarHBondContact O-CG 3.44Å; P234-S237 PolarHBondContact O-OG 3.46Å; P234-S237 VanDerWaalsContact O-OG 3.1Å; P234-L238 VanDerWaalsContact O-CB 3.25Å; P234-L238 WeakPolarHBondContact O-CB 3.09Å; P234-L238 PolarHBondContact O-N 2.69Å; P234-L238 VanDerWaalsContact O-N 3.08Å
235V97.8Very high96.5Very high27 Ų2752.5 Ų52.516%0.16430%0.297CS..Hα-helixtrans-76.3-44.1-176.9-177.30000111.3L189 S190 I193 T231 S232 L233 L238 T239L189-V235 HydrophobicContact CB-CG1 4.36Å; L189-V235 HydrophobicContact CD2-CG1 3.86Å; L189-V235 HydrophobicContact CD2-CG2 4.41Å; L189-V235 HydrophobicContact CG-CG1 3.96Å; S190-V235 PolarHBondContact OG-O 2.73Å; I193-V235 HydrophobicContact CD1-CB 3.87Å; I193-V235 HydrophobicContact CD1-CG1 3.96Å; I193-V235 HydrophobicContact CD1-CG2 3.97Å; T231-V235 WeakPolarHBondContact O-CB 3.12Å; T231-V235 VanDerWaalsContact O-CG2 3.25Å; T231-V235 WeakPolarHBondContact O-CG2 3.31Å; T231-V235 PolarHBondContact O-N 2.92Å; T231-V235 VanDerWaalsContact O-N 3.15Å; S232-V235 PolarHBondContact O-N 3.32Å; L233-V235 PolarHBondContact O-N 3Å; V235-L238 PolarHBondContact O-N 2.65Å; V235-T239 PolarHBondContact O-N 3.04Å; V235-T239 PolarHBondContact O-OG1 2.84Å
236V98Very high96.3Very high58 Ų5852.2 Ų52.235%0.35230%0.296SS..Hα-helixtrans-65.9-40.3178175.80000111.2S190 V194 S232 T239 A240S190-V236 WeakPolarHBondContact OG-CA 3.41Å; V194-V236 HydrophobicContact CG2-CG2 3.97Å; S232-V236 WeakPolarHBondContact O-CB 3.05Å; S232-V236 WeakPolarHBondContact O-CG2 3.15Å; S232-V236 PolarHBondContact O-N 3Å; V236-T239 PolarHBondContact O-N 3.42Å; V236-A240 PolarHBondContact O-N 2.06Å
237S97.8Very high96Very high64 Ų6446.9 Ų46.945%0.44828%0.275SS..Hα-helixtrans-65.8-38.8175.159.70000112.4L233 P234 A240 Y241L233-S237 VanDerWaalsContact O-CB 3.23Å; L233-S237 WeakPolarHBondContact O-CB 3.47Å; L233-S237 PolarHBondContact O-N 2.97Å; L233-S237 PolarHBondContact O-OG 2.75Å; P234-S237 PolarHBondContact O-OG 3.46Å; P234-S237 VanDerWaalsContact O-OG 3.1Å; S237-A240 PolarHBondContact O-N 2.86Å; S237-Y241 WeakPolarHBondContact O-CB 3.39Å; S237-Y241 PolarHBondContact O-N 3.18Å
238L97.2Very high95.5Very high67 Ų6745.8 Ų45.835%0.35127%0.268SS..Hα-helixtrans-63-43173.2-177.964.9000111.8I186 P234 V235 Y241 H242I186-L238 HydrophobicContact CD1-CG 4.43Å; I186-L238 HydrophobicContact CG2-CD2 4.31Å; P234-L238 VanDerWaalsContact O-CB 3.25Å; P234-L238 WeakPolarHBondContact O-CB 3.09Å; P234-L238 PolarHBondContact O-N 2.69Å; P234-L238 VanDerWaalsContact O-N 3.08Å; V235-L238 PolarHBondContact O-N 2.65Å; L238-Y241 PolarHBondContact O-N 3.17Å; L238-H242 VanDerWaalsContact CD1-CD2 3.5Å; L238-H242 WeakPolarHBondContact CD1-CD2 3.24Å; L238-H242 PolarHBondContact O-CD2 3.34Å; L238-H242 PolarHBondContact O-N 2.91Å
239T98Very high95Very high21 Ų2148.7 Ų48.713%0.12929%0.289CS..Hα-helixtrans-60.6-44.8174.3-62.10000111.5I186 S190 V235 V236 Y241 H242 A243I186-T239 PolarHBondContact O-OG1 2.88Å; S190-T239 WeakPolarHBondContact OG-CB 3.4Å; S190-T239 PolarHBondContact OG-OG1 3.02Å; V235-T239 PolarHBondContact O-N 3.04Å; V235-T239 PolarHBondContact O-OG1 2.84Å; V236-T239 PolarHBondContact O-N 3.42Å; T239-Y241 PolarHBondContact O-N 2.92Å; T239-H242 PolarHBondContact O-N 3.43Å; T239-A243 VanDerWaalsContact O-CB 3.31Å; T239-A243 WeakPolarHBondContact O-CB 3.24Å; T239-A243 PolarHBondContact O-N 3.4Å
240A96.8Very high94.4Very high62 Ų6244.8 Ų44.851%0.51227%0.271SS..Hα-helixtrans-62.4-42.3177.500000111.9V236 S237 A243 Y244V236-A240 PolarHBondContact O-N 2.06Å; S237-A240 PolarHBondContact O-N 2.86Å; A240-A243 PolarHBondContact O-N 3.14Å; A240-Y244 PolarHBondContact O-N 3.21Å
241Y95.7Very high93.8Very high64 Ų6441.6 Ų41.625%0.25125%0.252SS..Hα-helixtrans-62-48.5175.8176.5-114.5000112.1S237 L238 T239 A243 Y244 L245 T252 D255S237-Y241 WeakPolarHBondContact O-CB 3.39Å; S237-Y241 PolarHBondContact O-N 3.18Å; L238-Y241 PolarHBondContact O-N 3.17Å; T239-Y241 PolarHBondContact O-N 2.92Å; Y241-A243 VanDerWaalsContact C-N 3.33Å; Y241-A243 PolarHBondContact O-N 3Å; Y241-Y244 VanDerWaalsContact O-CB 3.32Å; Y241-Y244 WeakPolarHBondContact O-CB 3.13Å; Y241-Y244 PolarHBondContact O-N 3.44Å; Y241-L245 HydrophobicContact CD1-CD1 4.01Å; Y241-L245 HydrophobicContact CE1-CD1 3.47Å; Y241-L245 VanDerWaalsContact CE1-CD1 3.47Å; Y241-L245 HydrophobicContact CE1-CG 4.15Å; Y241-L245 HydrophobicContact CE2-CD1 4.38Å; Y241-L245 HydrophobicContact CE2-CD2 4.17Å; Y241-L245 HydrophobicContact CE2-CG 4.21Å; Y241-L245 WeakPolarHBondContact O-CG 3.37Å; Y241-L245 PolarHBondContact O-N 2.85Å; Y241-T252 HydrophobicContact CE1-CG2 4.11Å; Y241-D255 PolarHBondContact OH-OD2 3.38Å
242H96Very high93.3Very high2 Ų240.8 Ų40.81%0.00925%0.247CC..Hα-helixtrans-68.2-31.2177.3-82.4-76.5000113.2D164 Y179 F182 F183 I186 L238 T239 Y244 L245 V246 T252D164-H242 IonicContact OD1-CE1 2.72Å; D164-H242 PolarHBondContact OD1-CE1 2.97Å; Y179-H242 AromaticContact CE2-ND1 3.92Å; Y179-H242 AromaticContact CZ-ND1 3.9Å; Y179-H242 PolarHBondContact OH-ND1 2.72Å; Y179-H242 VanDerWaalsContact OH-ND1 3.12Å; F182-H242 AromaticContact CE1-CD2 3.79Å; F182-H242 AromaticContact CE1-CE1 3.49Å; F182-H242 VanDerWaalsContact CE1-CE1 3.49Å; F182-H242 WeakPolarHBondContact CE1-CE1 3.13Å; F182-H242 AromaticContact CE1-CG 3.9Å; F182-H242 AromaticContact CE1-ND1 3.71Å; F182-H242 AromaticContact CE1-NE2 3.51Å; F182-H242 AromaticContact CZ-CD2 3.9Å; F182-H242 AromaticContact CZ-CE1 3.98Å; F182-H242 AromaticContact CZ-NE2 3.55Å; F183-H242 HydrophobicContact CD2-CB 3.9Å; F183-H242 HydrophobicContact CE2-CB 4.04Å; I186-H242 HydrophobicContact CD1-CB 3.73Å; L238-H242 VanDerWaalsContact CD1-CD2 3.5Å; L238-H242 WeakPolarHBondContact CD1-CD2 3.24Å; L238-H242 PolarHBondContact O-CD2 3.34Å; L238-H242 PolarHBondContact O-N 2.91Å; T239-H242 PolarHBondContact O-N 3.43Å; H242-Y244 VanDerWaalsContact C-N 3.32Å; H242-L245 PolarHBondContact O-N 3.03Å; H242-V246 VanDerWaalsContact O-CG2 3.29Å; H242-V246 WeakPolarHBondContact O-CG2 3.32Å; H242-V246 PolarHBondContact O-N 3.33Å; H242-T252 PolarHBondContact CE1-OG1 2.48Å; H242-T252 VanDerWaalsContact CE1-OG1 3.28Å
243A94.5Very high92.6Very high38 Ų3840.7 Ų40.731%0.31425%0.246SC..Hα-helixtrans-62.7-41.4171.800000111.1F183 T239 A240 Y241 V246 C247F183-A243 HydrophobicContact CE2-CB 4.3Å; F183-A243 HydrophobicContact CZ-CB 4.26Å; T239-A243 VanDerWaalsContact O-CB 3.31Å; T239-A243 WeakPolarHBondContact O-CB 3.24Å; T239-A243 PolarHBondContact O-N 3.4Å; A240-A243 PolarHBondContact O-N 3.14Å; Y241-A243 VanDerWaalsContact C-N 3.33Å; Y241-A243 PolarHBondContact O-N 3Å; A243-V246 PolarHBondContact O-N 3.39Å; A243-C247 PolarHBondContact O-N 3.48Å
244Y92.4Very high92Very high71 Ų7135.3 Ų35.328%0.27822%0.219SC..Hα-helixtrans-59.3-50.3170.7163.5-100.6000111.6A240 Y241 H242 V246 C247 V248 L275A240-Y244 PolarHBondContact O-N 3.21Å; Y241-Y244 VanDerWaalsContact O-CB 3.32Å; Y241-Y244 WeakPolarHBondContact O-CB 3.13Å; Y241-Y244 PolarHBondContact O-N 3.44Å; H242-Y244 VanDerWaalsContact C-N 3.32Å; Y244-V246 VanDerWaalsContact C-N 3.31Å; Y244-V246 PolarHBondContact O-N 3.38Å; Y244-C247 WeakPolarHBondContact O-CB 3.25Å; Y244-C247 PolarHBondContact O-N 3.28Å; Y244-V248 HydrophobicContact CD2-CG1 4.21Å; Y244-V248 HydrophobicContact CE1-CG2 4.22Å; Y244-V248 HydrophobicContact CE2-CG1 3.67Å; Y244-V248 WeakPolarHBondContact O-CG2 3.18Å; Y244-V248 PolarHBondContact O-N 3.39Å; Y244-L275 HydrophobicContact CD2-CD2 4.23Å
245L91.8Very high91.3Very high0 Ų032.8 Ų32.80%020%0.201CC..Hα-helixtrans-57.6-42178.9-68.9-178.5000112.5Y241 H242 V248 S249 A250 T252 D255Y241-L245 HydrophobicContact CD1-CD1 4.01Å; Y241-L245 HydrophobicContact CE1-CD1 3.47Å; Y241-L245 VanDerWaalsContact CE1-CD1 3.47Å; Y241-L245 HydrophobicContact CE1-CG 4.15Å; Y241-L245 HydrophobicContact CE2-CD1 4.38Å; Y241-L245 HydrophobicContact CE2-CD2 4.17Å; Y241-L245 HydrophobicContact CE2-CG 4.21Å; Y241-L245 WeakPolarHBondContact O-CG 3.37Å; Y241-L245 PolarHBondContact O-N 2.85Å; H242-L245 PolarHBondContact O-N 3.03Å; L245-V248 WeakPolarHBondContact O-CG2 3.25Å; L245-V248 PolarHBondContact O-N 3.3Å; L245-S249 PolarHBondContact O-N 3.23Å; L245-A250 HydrophobicContact CD2-CB 4.06Å; L245-A250 PolarHBondContact O-N 3.17Å; L245-T252 WeakPolarHBondContact CD1-OG1 3.47Å; L245-D255 HydrophobicContact CD2-CB 3.92Å
246V92.3Very high90.7Very high10 Ų1035.5 Ų35.56%0.06122%0.215CC..Hα-helixtrans-60.9-47.5173.6171.10000110.6Y179 F183 H242 A243 Y244 V248 S249 N283 C284 V287Y179-V246 HydrophobicContact CE1-CG2 3.86Å; F183-V246 HydrophobicContact CD1-CG2 4.44Å; F183-V246 HydrophobicContact CD2-CG2 4.4Å; F183-V246 HydrophobicContact CE1-CG2 4.39Å; F183-V246 HydrophobicContact CE2-CG2 4.35Å; F183-V246 HydrophobicContact CG-CG2 4.46Å; F183-V246 HydrophobicContact CZ-CG2 4.35Å; H242-V246 VanDerWaalsContact O-CG2 3.29Å; H242-V246 WeakPolarHBondContact O-CG2 3.32Å; H242-V246 PolarHBondContact O-N 3.33Å; A243-V246 PolarHBondContact O-N 3.39Å; Y244-V246 VanDerWaalsContact C-N 3.31Å; Y244-V246 PolarHBondContact O-N 3.38Å; V246-V248 VanDerWaalsContact C-N 3.27Å; V246-V248 PolarHBondContact O-N 2.88Å; V246-S249 PolarHBondContact O-N 3.27Å; V246-N283 WeakPolarHBondContact O-CB 3.49Å; V246-C284 HydrophobicContact CG1-CB 4.11Å; V246-V287 HydrophobicContact CG1-CG2 4.2Å; V246-V287 HydrophobicContact CG2-CG2 4.23Å
247C90.3Very high89.9Confident23 Ų2336.5 Ų36.516%0.15521%0.214CC..Hα-helixtrans-58.7-37.2178-84.60000113A243 Y244 L275 C280 N283A243-C247 PolarHBondContact O-N 3.48Å; Y244-C247 WeakPolarHBondContact O-CB 3.25Å; Y244-C247 PolarHBondContact O-N 3.28Å; C247-L275 HydrophobicContact CB-CD2 3.56Å; C247-C280 HydrophobicContact CB-CB 4.19Å; C247-C280 WeakPolarHBondContact CB-SG 3.26Å; C247-C280 WeakPolarHBondContact SG-CB 3.47Å; C247-C280 CovalentContact SG-SG 2.06Å; C247-C280 PolarHBondContact SG-SG 2.8Å; C247-N283 PolarHBondContact O-ND2 2.84Å
248V86.2Confident88.9Confident5 Ų536 Ų363%0.0321%0.205CC..Hα-helixtrans-89.9-6.3179.6-59.10000114.2Y244 L245 V246 A250 Y270 L275Y244-V248 HydrophobicContact CD2-CG1 4.21Å; Y244-V248 HydrophobicContact CE1-CG2 4.22Å; Y244-V248 HydrophobicContact CE2-CG1 3.67Å; Y244-V248 WeakPolarHBondContact O-CG2 3.18Å; Y244-V248 PolarHBondContact O-N 3.39Å; L245-V248 WeakPolarHBondContact O-CG2 3.25Å; L245-V248 PolarHBondContact O-N 3.3Å; V246-V248 VanDerWaalsContact C-N 3.27Å; V246-V248 PolarHBondContact O-N 2.88Å; V248-A250 HydrophobicContact CG2-CB 3.68Å; V248-Y270 HydrophobicContact CB-CD2 4.09Å; V248-Y270 HydrophobicContact CG2-CD2 4.01Å; V248-Y270 HydrophobicContact CG2-CE2 4.24Å; V248-L275 HydrophobicContact CG1-CD2 4.2Å
249S87.1Confident88Confident66 Ų6639.3 Ų39.346%0.46222%0.222SC..THydrogen-bonded Turntrans59.742.5-174-160.70000113L245 V246L245-S249 PolarHBondContact O-N 3.23Å; V246-S249 PolarHBondContact O-N 3.27Å
250A85.9Confident87.2Confident16 Ų1645.3 Ų45.313%0.13225%0.252CS..  trans-111.4161.8175.800000110.9L245 V248 Y270L245-A250 HydrophobicContact CD2-CB 4.06Å; L245-A250 PolarHBondContact O-N 3.17Å; V248-A250 HydrophobicContact CG2-CB 3.68Å; A250-Y270 HydrophobicContact CB-CD1 4.2Å; A250-Y270 HydrophobicContact CB-CE1 4.08Å
251S84.6Confident86.1Confident15 Ų1545.3 Ų45.311%0.10524%0.244CC..  trans-106158.1166.966.30000110.1D164 C253 T254 D255D164-S251 VanDerWaalsContact OD2-CA 3.23Å; D164-S251 WeakPolarHBondContact OD2-CA 3.09Å; D164-S251 WeakPolarHBondContact OD2-CB 3.41Å; S251-C253 PolarHBondContact O-N 3.25Å; S251-T254 PolarHBondContact N-OG1 2.94Å; S251-T254 PolarHBondContact O-N 2.99Å; S251-T254 VanDerWaalsContact O-N 3.07Å; S251-T254 PolarHBondContact O-OG1 3.14Å; S251-T254 WeakPolarHBondContact OG-CG2 3.35Å; S251-T254 PolarHBondContact OG-N 3.11Å; S251-T254 VanDerWaalsContact OG-N 3.08Å; S251-T254 PolarHBondContact OG-OG1 3.45Å; S251-D255 WeakPolarHBondContact O-CB 3.42Å; S251-D255 PolarHBondContact O-N 3.15Å
252T85.3Confident84.9Confident17 Ų1747.3 Ų47.310%0.10426%0.264CS..Hα-helixtrans-53.9-43171.8-520000110.4D164 Y241 H242 L245 T254 D255 L256D164-T252 VanDerWaalsContact OD1-CB 3.3Å; D164-T252 WeakPolarHBondContact OD1-CB 3.21Å; D164-T252 PolarHBondContact OD1-OG1 2.96Å; D164-T252 PolarHBondContact OD2-N 3.47Å; D164-T252 PolarHBondContact OD2-OG1 3.23Å; Y241-T252 HydrophobicContact CE1-CG2 4.11Å; H242-T252 PolarHBondContact CE1-OG1 2.48Å; H242-T252 VanDerWaalsContact CE1-OG1 3.28Å; L245-T252 WeakPolarHBondContact CD1-OG1 3.47Å; T252-T254 VanDerWaalsContact C-N 3.35Å; T252-T254 PolarHBondContact O-N 3.08Å; T252-D255 PolarHBondContact O-N 3.07Å; T252-L256 HydrophobicContact CG2-CD1 3.76Å; T252-L256 HydrophobicContact CG2-CG 4.12Å; T252-L256 WeakPolarHBondContact O-CB 3.37Å; T252-L256 VanDerWaalsContact O-CG 3.31Å; T252-L256 WeakPolarHBondContact O-CG 3.42Å; T252-L256 PolarHBondContact O-N 3.25Å
253C84.2Confident83.8Confident18 Ų1849.9 Ų49.912%0.12228%0.278CS..Hα-helixtrans-59.9-41.4177.5-177.80000112.9F163 D164 S251 K257F163-C253 HydrophobicContact CD1-CB 3.94Å; F163-C253 HydrophobicContact CE1-CB 4.39Å; F163-C253 WeakPolarHBondContact O-CB 3.46Å; D164-C253 VanDerWaalsContact O-CB 3.31Å; D164-C253 WeakPolarHBondContact O-CB 3.31Å; D164-C253 PolarHBondContact O-N 3.4Å; D164-C253 VanDerWaalsContact O-N 3.16Å; S251-C253 PolarHBondContact O-N 3.25Å; C253-K257 VanDerWaalsContact O-CB 3.25Å; C253-K257 WeakPolarHBondContact O-CB 3.38Å; C253-K257 WeakPolarHBondContact O-CD 3.27Å; C253-K257 WeakPolarHBondContact O-CG 3.48Å; C253-K257 PolarHBondContact O-N 2.89Å; C253-K257 VanDerWaalsContact O-N 3.14Å; C253-K257 WeakPolarHBondContact SG-CE 3.42Å; C253-K257 PolarHBondContact SG-NZ 3.45Å
254T81.8Confident82.6Confident22 Ų2251.8 Ų51.814%0.13529%0.287CS..Hα-helixtrans-73.5-40179.846.70000111.8S251 T252 K257 Q258S251-T254 PolarHBondContact N-OG1 2.94Å; S251-T254 PolarHBondContact O-N 2.99Å; S251-T254 VanDerWaalsContact O-N 3.07Å; S251-T254 PolarHBondContact O-OG1 3.14Å; S251-T254 WeakPolarHBondContact OG-CG2 3.35Å; S251-T254 PolarHBondContact OG-N 3.11Å; S251-T254 VanDerWaalsContact OG-N 3.08Å; S251-T254 PolarHBondContact OG-OG1 3.45Å; T252-T254 VanDerWaalsContact C-N 3.35Å; T252-T254 PolarHBondContact O-N 3.08Å; T254-K257 PolarHBondContact O-N 2.81Å; T254-Q258 PolarHBondContact O-N 3.45Å
255D83.5Confident81.5Confident22 Ų2251.2 Ų51.212%0.11829%0.288CS..Hα-helixtrans-66.1-47.8179.6-179.685.6000111Y241 L245 S251 T252 K257 Q258 Y270Y241-D255 PolarHBondContact OH-OD2 3.38Å; L245-D255 HydrophobicContact CD2-CB 3.92Å; S251-D255 WeakPolarHBondContact O-CB 3.42Å; S251-D255 PolarHBondContact O-N 3.15Å; T252-D255 PolarHBondContact O-N 3.07Å; D255-K257 PolarHBondContact O-N 3.27Å; D255-Q258 WeakPolarHBondContact O-CB 3.25Å; D255-Q258 PolarHBondContact O-N 3.32Å; D255-Y270 VanDerWaalsContact CA-OH 3.26Å; D255-Y270 WeakPolarHBondContact CA-OH 3.39Å; D255-Y270 WeakPolarHBondContact CB-OH 3.46Å; D255-Y270 PolarHBondContact OD1-OH 3.25Å
256L85.1Confident80.2Confident85 Ų8553.5 Ų53.545%0.44530%0.299SS..Hα-helixtrans-67-35.4176.1-66.6-178.3000113.4T252 Q258 L259 I260T252-L256 HydrophobicContact CG2-CD1 3.76Å; T252-L256 HydrophobicContact CG2-CG 4.12Å; T252-L256 WeakPolarHBondContact O-CB 3.37Å; T252-L256 VanDerWaalsContact O-CG 3.31Å; T252-L256 WeakPolarHBondContact O-CG 3.42Å; T252-L256 PolarHBondContact O-N 3.25Å; L256-Q258 PolarHBondContact O-N 3.34Å; L256-L259 HydrophobicContact CD2-CD1 4.06Å; L256-L259 WeakPolarHBondContact O-CB 3.2Å; L256-L259 PolarHBondContact O-N 3.43Å; L256-I260 PolarHBondContact O-N 2.89Å
257K81.9Confident78.8Confident79 Ų7953.1 Ų53.134%0.34330%0.297SS..Hα-helixtrans-61.7-36.2175.9-85.5172.9-177.9163.30111.6S151 C253 T254 D255 L259 I260 D261 A267S151-K257 PolarHBondContact OG-NZ 2.79Å; C253-K257 VanDerWaalsContact O-CB 3.25Å; C253-K257 WeakPolarHBondContact O-CB 3.38Å; C253-K257 WeakPolarHBondContact O-CD 3.27Å; C253-K257 WeakPolarHBondContact O-CG 3.48Å; C253-K257 PolarHBondContact O-N 2.89Å; C253-K257 VanDerWaalsContact O-N 3.14Å; C253-K257 WeakPolarHBondContact SG-CE 3.42Å; C253-K257 PolarHBondContact SG-NZ 3.45Å; T254-K257 PolarHBondContact O-N 2.81Å; D255-K257 PolarHBondContact O-N 3.27Å; K257-L259 VanDerWaalsContact C-N 3.25Å; K257-L259 PolarHBondContact O-N 3.4Å; K257-I260 PolarHBondContact O-N 2.73Å; K257-D261 CarbonylContact O-C 3.56Å; K257-D261 PolarHBondContact O-N 3.27Å; K257-D261 VanDerWaalsContact O-O 3.12Å; K257-A267 HydrophobicContact CB-CB 4.47Å
258Q76.2Confident77.4Confident52 Ų5253.7 Ų53.724%0.24330%0.301CS..Hα-helixtrans-63-33.7177.1-164.1179.3-28.500112.4T254 D255 L256 A267 Y270T254-Q258 PolarHBondContact O-N 3.45Å; D255-Q258 WeakPolarHBondContact O-CB 3.25Å; D255-Q258 PolarHBondContact O-N 3.32Å; L256-Q258 PolarHBondContact O-N 3.34Å; Q258-A267 HydrophobicContact CB-CB 3.66Å; Q258-A267 HydrophobicContact CG-CB 4.08Å; Q258-Y270 VanDerWaalsContact OE1-CE1 3.31Å; Q258-Y270 PolarHBondContact OE1-OH 3.06Å
259L79.2Confident76Confident137 Ų13756 Ų5672%0.71731%0.314SS*.Hα-helixtrans-71-32.5177.2-61.1176.6000112.6L256 K257L256-L259 HydrophobicContact CD2-CD1 4.06Å; L256-L259 WeakPolarHBondContact O-CB 3.2Å; L256-L259 PolarHBondContact O-N 3.43Å; K257-L259 VanDerWaalsContact C-N 3.25Å; K257-L259 PolarHBondContact O-N 3.4Å
260I80.5Confident74.8Confident148 Ų14855.1 Ų55.176%0.75930%0.301SS*.Hα-helixtrans-88.9-41.2-177.2-63.7166000111.3L256 K257L256-I260 PolarHBondContact O-N 2.89Å; K257-I260 PolarHBondContact O-N 2.73Å
261D73.7Confident73.2Confident62 Ų6261.3 Ų61.333%0.33233%0.331SS..  trans-134.499.6-178.5-176.8-2.3000109K257 N263 H266K257-D261 CarbonylContact O-C 3.56Å; K257-D261 PolarHBondContact O-N 3.27Å; K257-D261 VanDerWaalsContact O-O 3.12Å; D261-N263 PolarHBondContact O-N 3Å; D261-N263 VanDerWaalsContact O-N 3.07Å; D261-N263 WeakPolarHBondContact OD1-CB 3.36Å; D261-N263 PolarHBondContact OD1-N 3.14Å; D261-N263 VanDerWaalsContact OD1-N 3.11Å; D261-H266 IonicContact OD2-CD2 3.67Å; D261-H266 PolarHBondContact OD2-CD2 2.93Å; D261-H266 VanDerWaalsContact OD2-CD2 3.29Å; D261-H266 IonicContact OD2-CG 3.15Å; D261-H266 IonicContact OD2-NE2 3.29Å
262P69.7Low71.9Confident105 Ų10568.9 Ų68.968%0.68236%0.358SS*.  trans-74.35.4-176.231.7-35.8000113P264P262-P264 WeakPolarHBondContact O-CD 3.37Å
263N73.4Confident71Confident57 Ų5774.9 Ų74.931%0.30539%0.388SS..  trans-63.3119.7177.5178.7-13.3000110.4D261 L265 H266 A267D261-N263 PolarHBondContact O-N 3Å; D261-N263 VanDerWaalsContact O-N 3.07Å; D261-N263 WeakPolarHBondContact OD1-CB 3.36Å; D261-N263 PolarHBondContact OD1-N 3.14Å; D261-N263 VanDerWaalsContact OD1-N 3.11Å; N263-L265 PolarHBondContact O-N 3.26Å; N263-L265 WeakPolarHBondContact OD1-CB 3.19Å; N263-L265 PolarHBondContact OD1-N 3.27Å; N263-H266 PolarHBondContact ND2-CD2 2.67Å; N263-H266 PolarHBondContact O-N 3.19Å; N263-A267 PolarHBondContact O-N 3.07Å
264P68.8Low70.4Confident77 Ų7776.6 Ų76.650%0.540%0.396SS..THydrogen-bonded Turntrans-63.5-18.8-173.625.3-35.2000113.7P262 H266 A267 P268 V269P262-P264 WeakPolarHBondContact O-CD 3.37Å; P264-H266 VanDerWaalsContact C-N 3.32Å; P264-A267 CarbonylContact O-C 3.42Å; P264-P268 WeakPolarHBondContact O-CA 3.43Å; P264-V269 HydrophobicContact CB-CG2 4.24Å
265L70.7Confident70.5Confident59 Ų5979.5 Ų79.531%0.30941%0.411SS..THydrogen-bonded Turntrans-74.5-22.4174.8-64.5174.2000113.2M133 L135 N263M133-L265 HydrophobicContact CB-CD2 4.29Å; M133-L265 HydrophobicContact CG-CD2 3.91Å; M133-L265 HydrophobicContact SD-CD2 3.91Å; L135-L265 HydrophobicContact CB-CB 4.38Å; L135-L265 PolarHBondContact N-O 3.49Å; N263-L265 PolarHBondContact O-N 3.26Å; N263-L265 WeakPolarHBondContact OD1-CB 3.19Å; N263-L265 PolarHBondContact OD1-N 3.27Å
266H64.8Low70.7Confident49 Ų4982 Ų8223%0.22743%0.427CS..THydrogen-bonded Turntrans-94.9-32.5179.3-72.9-70.5000112.9L135 K137 D261 N263 P264L135-H266 WeakPolarHBondContact CD2-CE1 3.34Å; K137-H266 WeakPolarHBondContact CE-CE1 3.27Å; K137-H266 VanDerWaalsContact CE-ND1 3.27Å; K137-H266 WeakPolarHBondContact CE-ND1 3.49Å; K137-H266 PolarHBondContact NZ-CE1 2.94Å; K137-H266 PolarHBondContact NZ-ND1 3.29Å; K137-H266 VanDerWaalsContact NZ-ND1 3.15Å; D261-H266 IonicContact OD2-CD2 3.67Å; D261-H266 PolarHBondContact OD2-CD2 2.93Å; D261-H266 VanDerWaalsContact OD2-CD2 3.29Å; D261-H266 IonicContact OD2-CG 3.15Å; D261-H266 IonicContact OD2-NE2 3.29Å; N263-H266 PolarHBondContact ND2-CD2 2.67Å; N263-H266 PolarHBondContact O-N 3.19Å; P264-H266 VanDerWaalsContact C-N 3.32Å
267A62.5Low70.8Confident2 Ų287 Ų872%0.01744%0.44CS..SBendtrans-137.894.3175.500000107.8K257 Q258 N263 P264 V269K257-A267 HydrophobicContact CB-CB 4.47Å; Q258-A267 HydrophobicContact CB-CB 3.66Å; Q258-A267 HydrophobicContact CG-CB 4.08Å; N263-A267 PolarHBondContact O-N 3.07Å; P264-A267 CarbonylContact O-C 3.42Å; A267-V269 PolarHBondContact O-N 2.8Å
268P59.6Low71.2Confident35 Ų3591.9 Ų91.923%0.22746%0.461CS..  trans-57.9122178.122.9-31.3000107.9Q132 P264 Y270Q132-P268 VanDerWaalsContact OE1-CB 3.26Å; P264-P268 WeakPolarHBondContact O-CA 3.43Å; P268-Y270 PolarHBondContact O-N 3.15Å
269V57.6Low71.7Confident53 Ų5392.2 Ų92.232%0.32146%0.46SS..  trans-63.8109-175.6-166.90000107.8P264 A267 L271P264-V269 HydrophobicContact CB-CG2 4.24Å; A267-V269 PolarHBondContact O-N 2.8Å; V269-L271 HydrophobicContact CB-CB 4.29Å; V269-L271 HydrophobicContact CB-CD1 3.92Å; V269-L271 HydrophobicContact CB-CG 4.26Å; V269-L271 HydrophobicContact CG1-CB 3.67Å; V269-L271 HydrophobicContact CG1-CD1 3.42Å; V269-L271 VanDerWaalsContact CG1-CD1 3.42Å; V269-L271 HydrophobicContact CG1-CG 3.36Å; V269-L271 PolarHBondContact O-N 3.2Å
270Y61.5Low72.2Confident48 Ų4886.7 Ų86.719%0.18843%0.433CS..  trans-75.271.4163.745.2-81.4000107V248 A250 D255 Q258 P268 R272V248-Y270 HydrophobicContact CB-CD2 4.09Å; V248-Y270 HydrophobicContact CG2-CD2 4.01Å; V248-Y270 HydrophobicContact CG2-CE2 4.24Å; A250-Y270 HydrophobicContact CB-CD1 4.2Å; A250-Y270 HydrophobicContact CB-CE1 4.08Å; D255-Y270 VanDerWaalsContact CA-OH 3.26Å; D255-Y270 WeakPolarHBondContact CA-OH 3.39Å; D255-Y270 WeakPolarHBondContact CB-OH 3.46Å; D255-Y270 PolarHBondContact OD1-OH 3.25Å; Q258-Y270 VanDerWaalsContact OE1-CE1 3.31Å; Q258-Y270 PolarHBondContact OE1-OH 3.06Å; P268-Y270 PolarHBondContact O-N 3.15Å; Y270-R272 PolarHBondContact O-N 3.18Å
271L52.1Low72.7Confident145 Ų14586.2 Ų86.276%0.75942%0.421SS*.  trans-73.728.5-173.8-127155.2000112.7V269V269-L271 HydrophobicContact CB-CB 4.29Å; V269-L271 HydrophobicContact CB-CD1 3.92Å; V269-L271 HydrophobicContact CB-CG 4.26Å; V269-L271 HydrophobicContact CG1-CB 3.67Å; V269-L271 HydrophobicContact CG1-CD1 3.42Å; V269-L271 VanDerWaalsContact CG1-CD1 3.42Å; V269-L271 HydrophobicContact CG1-CG 3.36Å; V269-L271 PolarHBondContact O-N 3.2Å
272R57.3Low73.6Confident175 Ų17590 Ų9066%0.6644%0.435SS*.  trans-136101.8178-58.6-166-143.7-119.65.6108.9Y270 D274Y270-R272 PolarHBondContact O-N 3.18Å; R272-D274 HydrophobicContact CB-CB 3.81Å; R272-D274 PolarHBondContact O-N 2.9Å
273L67Low74.6Confident143 Ų14385.8 Ų85.875%0.74941%0.407SS*.  trans-59.529.6152.7-85.6151.5000112L275L273-L275 PolarHBondContact O-N 3.28Å
274D70.7Confident75.5Confident54 Ų5484.5 Ų84.529%0.28940%0.402SS..  trans-77.184.1175168.422.3000107.1R272 T276 R279R272-D274 HydrophobicContact CB-CB 3.81Å; R272-D274 PolarHBondContact O-N 2.9Å; D274-T276 PolarHBondContact O-N 3.49Å; D274-T276 VanDerWaalsContact OD1-CB 3.25Å; D274-T276 WeakPolarHBondContact OD1-CB 3.37Å; D274-T276 WeakPolarHBondContact OD1-CG2 3.35Å; D274-T276 PolarHBondContact OD1-N 3.49Å; D274-T276 PolarHBondContact OD1-OG1 2.94Å; D274-R279 WeakPolarHBondContact O-CD 2.95Å; D274-R279 WeakPolarHBondContact OD2-CD 3.15Å; D274-R279 IonicContact OD2-NH1 2.77Å; D274-R279 PolarHBondContact OD2-NH1 2.82Å; D274-R279 VanDerWaalsContact OD2-NH1 3.15Å
275L84.3Confident76.7Confident83 Ų8383.1 Ų83.144%0.43540%0.397SS..  trans-90.632.9173.1-62.3173.9000110.2Y244 C247 V248 L273 W277Y244-L275 HydrophobicContact CD2-CD2 4.23Å; C247-L275 HydrophobicContact CB-CD2 3.56Å; V248-L275 HydrophobicContact CG1-CD2 4.2Å; L273-L275 PolarHBondContact O-N 3.28Å; L275-W277 PolarHBondContact O-N 2.87Å
276T87.7Confident77.7Confident75 Ų7584 Ų8446%0.4640%0.402SS..  trans-59.6137.8174.252.10000109.7D274 K278 R279 C280D274-T276 PolarHBondContact O-N 3.49Å; D274-T276 VanDerWaalsContact OD1-CB 3.25Å; D274-T276 WeakPolarHBondContact OD1-CB 3.37Å; D274-T276 WeakPolarHBondContact OD1-CG2 3.35Å; D274-T276 PolarHBondContact OD1-N 3.49Å; D274-T276 PolarHBondContact OD1-OG1 2.94Å; T276-K278 PolarHBondContact O-N 3.28Å; T276-K278 VanDerWaalsContact O-N 3.14Å; T276-R279 PolarHBondContact O-N 2.94Å; T276-R279 WeakPolarHBondContact OG1-CB 3.02Å; T276-C280 PolarHBondContact O-N 2.88Å
277W87.7Confident78.9Confident188 Ų18883.7 Ų83.771%0.71240%0.403SS*.Hα-helixtrans-48.8-44.6179.5-175.4-107.8000112L275 R279 C280 W281L275-W277 PolarHBondContact O-N 2.87Å; W277-R279 VanDerWaalsContact C-N 3.33Å; W277-R279 PolarHBondContact O-N 3.5Å; W277-C280 PolarHBondContact O-N 2.87Å; W277-W281 AromaticContact CD1-CD1 3.51Å; W277-W281 AromaticContact CD1-NE1 3.81Å; W277-W281 AromaticContact CD2-CD1 3.46Å; W277-W281 VanDerWaalsContact CD2-CD1 3.46Å; W277-W281 AromaticContact CD2-NE1 3.17Å; W277-W281 AromaticContact CE2-CD1 3.35Å; W277-W281 AromaticContact CE2-CE2 3.84Å; W277-W281 AromaticContact CE2-NE1 2.77Å; W277-W281 AromaticContact CE3-NE1 3.55Å; W277-W281 AromaticContact CG-CD1 3.65Å; W277-W281 AromaticContact CG-NE1 3.87Å; W277-W281 AromaticContact CH2-CE2 3.82Å; W277-W281 AromaticContact CH2-CZ2 3.76Å; W277-W281 HydrophobicContact CH2-CZ2 3.76Å; W277-W281 AromaticContact CH2-NE1 3.26Å; W277-W281 VanDerWaalsContact CH2-NE1 3.26Å; W277-W281 AromaticContact CZ2-CD1 3.9Å; W277-W281 AromaticContact CZ2-CE2 3.53Å; W277-W281 AromaticContact CZ2-CZ2 3.66Å; W277-W281 HydrophobicContact CZ2-CZ2 3.66Å; W277-W281 AromaticContact CZ2-NE1 2.85Å; W277-W281 AromaticContact CZ3-NE1 3.58Å; W277-W281 AromaticContact NE1-CD1 3.3Å; W277-W281 VanDerWaalsContact NE1-CD1 3.3Å; W277-W281 AromaticContact NE1-NE1 3.16Å; W277-W281 VanDerWaalsContact NE1-NE1 3.16Å; W277-W281 PolarHBondContact O-N 2.88Å
278K89.4Confident80.4Confident182 Ų18288.1 Ų88.179%0.79142%0.422SS*.Hα-helixtrans-56.3-43.7177.4-68.5-175.8179.5179.90112.8T276 K282T276-K278 PolarHBondContact O-N 3.28Å; T276-K278 VanDerWaalsContact O-N 3.14Å; K278-K282 WeakPolarHBondContact O-CB 3.39Å; K278-K282 PolarHBondContact O-N 3.15Å
279R86.7Confident82Confident60 Ų6091.2 Ų91.223%0.22644%0.444CS..Hα-helixtrans-72.1-44.7-179.8-179.5167.9172.5-176.9-4.8111.6D274 T276 W277 W281 K282 N283D274-R279 WeakPolarHBondContact O-CD 2.95Å; D274-R279 WeakPolarHBondContact OD2-CD 3.15Å; D274-R279 IonicContact OD2-NH1 2.77Å; D274-R279 PolarHBondContact OD2-NH1 2.82Å; D274-R279 VanDerWaalsContact OD2-NH1 3.15Å; T276-R279 PolarHBondContact O-N 2.94Å; T276-R279 WeakPolarHBondContact OG1-CB 3.02Å; W277-R279 VanDerWaalsContact C-N 3.33Å; W277-R279 PolarHBondContact O-N 3.5Å; R279-W281 VanDerWaalsContact C-N 3.34Å; R279-W281 PolarHBondContact O-N 2.9Å; R279-K282 PolarHBondContact O-N 2.83Å; R279-N283 WeakPolarHBondContact O-CB 3.45Å; R279-N283 PolarHBondContact O-N 2.8Å
280C90.7Very high83.4Confident21 Ų2191.5 Ų91.514%0.14244%0.441CS..Hα-helixtrans-57.2-46.2175-76.10000111.6C247 T276 W277 N283 C284C247-C280 HydrophobicContact CB-CB 4.19Å; C247-C280 WeakPolarHBondContact CB-SG 3.26Å; C247-C280 WeakPolarHBondContact SG-CB 3.47Å; C247-C280 CovalentContact SG-SG 2.06Å; C247-C280 PolarHBondContact SG-SG 2.8Å; T276-C280 PolarHBondContact O-N 2.88Å; W277-C280 PolarHBondContact O-N 2.87Å; C280-N283 PolarHBondContact O-N 3.05Å; C280-C284 WeakPolarHBondContact O-CB 3.46Å; C280-C284 PolarHBondContact O-N 3.24Å
281W90.9Very high84.6Confident137 Ų13794.3 Ų94.352%0.51947%0.468SS..Hα-helixtrans-64.7-42.6176.4-81.8102.9000113.3W277 R279 N283 C284 A285W277-W281 AromaticContact CD1-CD1 3.51Å; W277-W281 AromaticContact CD1-NE1 3.81Å; W277-W281 AromaticContact CD2-CD1 3.46Å; W277-W281 VanDerWaalsContact CD2-CD1 3.46Å; W277-W281 AromaticContact CD2-NE1 3.17Å; W277-W281 AromaticContact CE2-CD1 3.35Å; W277-W281 AromaticContact CE2-CE2 3.84Å; W277-W281 AromaticContact CE2-NE1 2.77Å; W277-W281 AromaticContact CE3-NE1 3.55Å; W277-W281 AromaticContact CG-CD1 3.65Å; W277-W281 AromaticContact CG-NE1 3.87Å; W277-W281 AromaticContact CH2-CE2 3.82Å; W277-W281 AromaticContact CH2-CZ2 3.76Å; W277-W281 HydrophobicContact CH2-CZ2 3.76Å; W277-W281 AromaticContact CH2-NE1 3.26Å; W277-W281 VanDerWaalsContact CH2-NE1 3.26Å; W277-W281 AromaticContact CZ2-CD1 3.9Å; W277-W281 AromaticContact CZ2-CE2 3.53Å; W277-W281 AromaticContact CZ2-CZ2 3.66Å; W277-W281 HydrophobicContact CZ2-CZ2 3.66Å; W277-W281 AromaticContact CZ2-NE1 2.85Å; W277-W281 AromaticContact CZ3-NE1 3.58Å; W277-W281 AromaticContact NE1-CD1 3.3Å; W277-W281 VanDerWaalsContact NE1-CD1 3.3Å; W277-W281 AromaticContact NE1-NE1 3.16Å; W277-W281 VanDerWaalsContact NE1-NE1 3.16Å; W277-W281 PolarHBondContact O-N 2.88Å; R279-W281 VanDerWaalsContact C-N 3.34Å; R279-W281 PolarHBondContact O-N 2.9Å; W281-N283 VanDerWaalsContact C-N 3.32Å; W281-N283 PolarHBondContact O-N 3.41Å; W281-C284 PolarHBondContact O-N 3.46Å; W281-A285 VanDerWaalsContact O-CB 3.31Å; W281-A285 WeakPolarHBondContact O-CB 3.41Å; W281-A285 PolarHBondContact O-N 3.35Å
282K91.8Very high86.4Confident143 Ų14391.4 Ų91.462%0.62245%0.453SS*.Hα-helixtrans-57.7-47.3175.6-179.6-178.3175.2-177.20111K278 R279 A285 L286K278-K282 WeakPolarHBondContact O-CB 3.39Å; K278-K282 PolarHBondContact O-N 3.15Å; R279-K282 PolarHBondContact O-N 2.83Å; K282-A285 PolarHBondContact O-N 2.91Å; K282-L286 WeakPolarHBondContact O-CG 3.3Å; K282-L286 PolarHBondContact O-N 2.93Å
283N91.7Very high87.7Confident15 Ų1585 Ų858%0.0843%0.434CS..Hα-helixtrans-72.9-36.2-177.8-66.5-16.9000112.3V246 C247 R279 C280 W281 L286 V287V246-N283 WeakPolarHBondContact O-CB 3.49Å; C247-N283 PolarHBondContact O-ND2 2.84Å; R279-N283 WeakPolarHBondContact O-CB 3.45Å; R279-N283 PolarHBondContact O-N 2.8Å; C280-N283 PolarHBondContact O-N 3.05Å; W281-N283 VanDerWaalsContact C-N 3.32Å; W281-N283 PolarHBondContact O-N 3.41Å; N283-L286 WeakPolarHBondContact O-CB 3.47Å; N283-L286 PolarHBondContact O-N 3.13Å; N283-V287 PolarHBondContact O-N 3.03Å
284C92.3Very high88.6Confident31 Ų3184.6 Ų84.621%0.20944%0.44CS..Hα-helixtrans-60.2-45.9170.7-172.90000111V246 C280 W281 L286 V287 F288V246-C284 HydrophobicContact CG1-CB 4.11Å; C280-C284 WeakPolarHBondContact O-CB 3.46Å; C280-C284 PolarHBondContact O-N 3.24Å; W281-C284 PolarHBondContact O-N 3.46Å; C284-L286 VanDerWaalsContact C-N 3.29Å; C284-L286 PolarHBondContact O-N 3.11Å; C284-V287 WeakPolarHBondContact O-CB 3.09Å; C284-V287 PolarHBondContact O-N 2.71Å; C284-V287 VanDerWaalsContact O-N 3.08Å; C284-F288 WeakPolarHBondContact O-CD2 3.43Å; C284-F288 PolarHBondContact O-N 3.49Å; C284-F288 VanDerWaalsContact O-N 3.09Å
285A93.4Very high89.5Confident48 Ų4883.7 Ų83.740%0.39744%0.444SS..Hα-helixtrans-61.3-36.1174.900000112.2W281 K282 F288 C289W281-A285 VanDerWaalsContact O-CB 3.31Å; W281-A285 WeakPolarHBondContact O-CB 3.41Å; W281-A285 PolarHBondContact O-N 3.35Å; K282-A285 PolarHBondContact O-N 2.91Å; A285-F288 PolarHBondContact O-N 3.05Å; A285-C289 WeakPolarHBondContact O-CA 3.46Å; A285-C289 WeakPolarHBondContact O-CB 3.17Å; A285-C289 PolarHBondContact O-N 2.83Å
286L91.5Very high89.9Confident78 Ų7881.5 Ų81.541%0.40843%0.432SS..Hα-helixtrans-62.5-43.2172.4-71.4170.5000111.5K282 N283 C284 F288 E290K282-L286 WeakPolarHBondContact O-CG 3.3Å; K282-L286 PolarHBondContact O-N 2.93Å; N283-L286 WeakPolarHBondContact O-CB 3.47Å; N283-L286 PolarHBondContact O-N 3.13Å; C284-L286 VanDerWaalsContact C-N 3.29Å; C284-L286 PolarHBondContact O-N 3.11Å; L286-F288 VanDerWaalsContact C-N 3.35Å; L286-F288 PolarHBondContact O-N 3.49Å; L286-E290 WeakPolarHBondContact O-CB 3.35Å; L286-E290 PolarHBondContact O-N 3.19Å; L286-E290 VanDerWaalsContact O-N 3.14Å
287V91.6Very high90.2Very high42 Ų4282.8 Ų82.826%0.25544%0.436SS..Hα-helixtrans-61.2-42.5178.3169.40000112.3Y179 A180 V246 N283 C284Y179-V287 HydrophobicContact CD1-CG1 3.76Å; Y179-V287 HydrophobicContact CD1-CG2 4.39Å; Y179-V287 HydrophobicContact CE1-CG1 4.12Å; Y179-V287 HydrophobicContact CE1-CG2 4.3Å; A180-V287 HydrophobicContact CB-CG1 4.1Å; V246-V287 HydrophobicContact CG1-CG2 4.2Å; V246-V287 HydrophobicContact CG2-CG2 4.23Å; N283-V287 PolarHBondContact O-N 3.03Å; C284-V287 WeakPolarHBondContact O-CB 3.09Å; C284-V287 PolarHBondContact O-N 2.71Å; C284-V287 VanDerWaalsContact O-N 3.08Å
288F93.4Very high90.4Very high94 Ų9474.3 Ų74.341%0.41240%0.404SS..Hα-helixtrans-93.1-23.9-173.4-72.4-74.2000115A180 F183 L184 C284 A285 L286A180-F288 HydrophobicContact CB-CD1 3.99Å; A180-F288 HydrophobicContact CB-CE1 4.18Å; F183-F288 AromaticContact CD1-CE2 3.84Å; F183-F288 HydrophobicContact CD1-CE2 3.84Å; F183-F288 AromaticContact CD1-CZ 3.66Å; F183-F288 HydrophobicContact CD1-CZ 3.66Å; F183-F288 HydrophobicContact CE1-CE2 4.15Å; F183-F288 HydrophobicContact CE1-CZ 4.28Å; L184-F288 HydrophobicContact CB-CE1 4.41Å; C284-F288 WeakPolarHBondContact O-CD2 3.43Å; C284-F288 PolarHBondContact O-N 3.49Å; C284-F288 VanDerWaalsContact O-N 3.09Å; A285-F288 PolarHBondContact O-N 3.05Å; L286-F288 VanDerWaalsContact C-N 3.35Å; L286-F288 PolarHBondContact O-N 3.49Å
289C92.2Very high90.7Very high101 Ų10170.3 Ų70.368%0.68238%0.384SS*.Hα-helixtrans-118.70.5-171.5-52.60000113.7A285 S291A285-C289 WeakPolarHBondContact O-CA 3.46Å; A285-C289 WeakPolarHBondContact O-CB 3.17Å; A285-C289 PolarHBondContact O-N 2.83Å; C289-S291 PolarHBondContact O-N 2.92Å
290E87.1Confident91Very high58 Ų5869 Ų6927%0.27139%0.386SS..PPolyproline II helixtrans-67.9128.3177.1178.5176.4-176.900111.6R162 R176 L286 L292R162-E290 IonicContact CZ-OE1 3.19Å; R162-E290 VanDerWaalsContact CZ-OE1 3.29Å; R162-E290 IonicContact CZ-OE2 2.73Å; R162-E290 VanDerWaalsContact NH1-CD 3.31Å; R162-E290 IonicContact NH1-OE1 3.96Å; R162-E290 PolarHBondContact NH1-OE1 2.86Å; R162-E290 IonicContact NH1-OE2 3.29Å; R162-E290 PolarHBondContact NH1-OE2 2.9Å; R162-E290 IonicContact NH2-OE1 3.63Å; R162-E290 PolarHBondContact NH2-OE1 2.66Å; R162-E290 IonicContact NH2-OE2 3.87Å; R176-E290 IonicContact CZ-OE1 2.65Å; R176-E290 IonicContact NE-OE1 3.59Å; R176-E290 IonicContact NH2-OE1 3.45Å; R176-E290 PolarHBondContact NH2-OE1 2.9Å; L286-E290 WeakPolarHBondContact O-CB 3.35Å; L286-E290 PolarHBondContact O-N 3.19Å; L286-E290 VanDerWaalsContact O-N 3.14Å; E290-L292 PolarHBondContact O-N 3.38Å
291S87.9Confident91Very high108 Ų10873.9 Ų73.976%0.75540%0.403SS*.PPolyproline II helixtrans-60.7119.7172-60.50000110.5C289C289-S291 PolarHBondContact O-N 2.92Å
292L88.2Confident90.8Very high83 Ų8370.3 Ų70.344%0.43540%0.396SS..PPolyproline II helixtrans-76.5129.2176.4-64.2174.1000109.7R176 R177 E290R176-L292 HydrophobicContact CG-CD2 4.09Å; R177-L292 HydrophobicContact CB-CD1 4.48Å; R177-L292 HydrophobicContact CG-CD2 4.33Å; E290-L292 PolarHBondContact O-N 3.38Å
293P85.2Confident90.2Very high42 Ų4272 Ų7227%0.27341%0.406SS..PPolyproline II helixtrans-62164171.729.5-36.8000110.3R177 G295R177-P293 PolarHBondContact NH1-O 3.08Å; P293-G295 PolarHBondContact O-N 3.25Å
294P87.1Confident88.6Confident134 Ų13478.8 Ų78.887%0.8744%0.437SS*.PPolyproline II helixtrans-55.3125.2171.6-23.534.1000110.7
295G88.9Confident86.8Confident35 Ų3582.5 Ų82.536%0.36145%0.452SS..  trans-84-173.717100000111P293 D297P293-G295 PolarHBondContact O-N 3.25Å; G295-D297 PolarHBondContact O-N 3.19Å
296I92.3Very high84Confident36 Ų3689.3 Ų89.319%0.18547%0.472CS..  trans-67.4122.5170.6-59.9175.7000108.5V11 I91 P93 F298V11-I296 HydrophobicContact CG1-CG2 3.75Å; I91-I296 HydrophobicContact CB-CD1 4.22Å; I91-I296 HydrophobicContact CG2-CD1 3.74Å; I91-I296 WeakPolarHBondContact O-CD1 3.24Å; P93-I296 HydrophobicContact CB-CD1 4.41Å; P93-I296 HydrophobicContact CB-CG1 4.5Å; I296-F298 VanDerWaalsContact C-N 3.3Å; I296-F298 HydrophobicContact CB-CD1 4.45Å; I296-F298 HydrophobicContact CB-CD2 4.48Å; I296-F298 HydrophobicContact CB-CE1 4.07Å; I296-F298 HydrophobicContact CB-CE2 4.09Å; I296-F298 HydrophobicContact CB-CZ 3.87Å; I296-F298 HydrophobicContact CD1-CE1 4.27Å; I296-F298 HydrophobicContact CD1-CZ 4.15Å; I296-F298 HydrophobicContact CG2-CD1 3.78Å; I296-F298 HydrophobicContact CG2-CE1 3.7Å; I296-F298 HydrophobicContact CG2-CE2 4.44Å; I296-F298 HydrophobicContact CG2-CG 4.19Å; I296-F298 HydrophobicContact CG2-CZ 4.05Å; I296-F298 WeakPolarHBondContact O-CD2 3.43Å; I296-F298 PolarHBondContact O-N 3.46Å
297D93.4Very high81.3Confident102 Ų10291.9 Ų91.955%0.54549%0.486SS..  trans-76.587.5166-175.31000109.4G295 R299 A300G295-D297 PolarHBondContact O-N 3.19Å; D297-R299 PolarHBondContact O-N 3.22Å; D297-R299 WeakPolarHBondContact OD1-CB 3.37Å; D297-R299 PolarHBondContact OD1-N 2.94Å; D297-A300 HydrophobicContact CB-CB 4.05Å; D297-A300 WeakPolarHBondContact O-CB 3.36Å; D297-A300 PolarHBondContact O-N 2.78Å; D297-A300 VanDerWaalsContact O-N 3.1Å; D297-A300 PolarHBondContact OD1-N 2.85Å
298F93.8Very high78.4Confident11 Ų1195.6 Ų95.65%0.04851%0.509CS..THydrogen-bonded Turntrans-57.7-20.4178-72.4-63.5000113.4V11 W12 H15 F21 V28 D88 I91 I296V11-F298 HydrophobicContact CG1-CD1 4.22Å; W12-F298 HydrophobicContact CB-CB 4.09Å; W12-F298 WeakPolarHBondContact CB-O 3.39Å; W12-F298 VanDerWaalsContact CD1-O 3.23Å; W12-F298 PolarHBondContact N-O 3.31Å; H15-F298 AromaticContact ND1-CE1 3.86Å; F21-F298 HydrophobicContact CD1-CD1 4.39Å; F21-F298 HydrophobicContact CD1-CG 4.41Å; F21-F298 HydrophobicContact CE1-CB 4.38Å; F21-F298 AromaticContact CE1-CD1 3.39Å; F21-F298 HydrophobicContact CE1-CD1 3.39Å; F21-F298 HydrophobicContact CE1-CD2 4.06Å; F21-F298 AromaticContact CE1-CE1 3.55Å; F21-F298 HydrophobicContact CE1-CE1 3.55Å; F21-F298 HydrophobicContact CE1-CE2 4.2Å; F21-F298 AromaticContact CE1-CG 3.67Å; F21-F298 HydrophobicContact CE1-CG 3.67Å; F21-F298 AromaticContact CE1-CZ 3.96Å; F21-F298 HydrophobicContact CE1-CZ 3.96Å; F21-F298 AromaticContact CZ-CD1 3.74Å; F21-F298 HydrophobicContact CZ-CD1 3.74Å; F21-F298 AromaticContact CZ-CE1 3.57Å; F21-F298 HydrophobicContact CZ-CE1 3.57Å; F21-F298 HydrophobicContact CZ-CG 4.46Å; F21-F298 HydrophobicContact CZ-CZ 4.16Å; V28-F298 HydrophobicContact CG2-CD2 3.93Å; V28-F298 HydrophobicContact CG2-CE2 3.93Å; D88-F298 HydrophobicContact CB-CE2 4.11Å; I91-F298 HydrophobicContact CB-CZ 4.48Å; I91-F298 HydrophobicContact CD1-CZ 3.99Å; I296-F298 VanDerWaalsContact C-N 3.3Å; I296-F298 HydrophobicContact CB-CD1 4.45Å; I296-F298 HydrophobicContact CB-CD2 4.48Å; I296-F298 HydrophobicContact CB-CE1 4.07Å; I296-F298 HydrophobicContact CB-CE2 4.09Å; I296-F298 HydrophobicContact CB-CZ 3.87Å; I296-F298 HydrophobicContact CD1-CE1 4.27Å; I296-F298 HydrophobicContact CD1-CZ 4.15Å; I296-F298 HydrophobicContact CG2-CD1 3.78Å; I296-F298 HydrophobicContact CG2-CE1 3.7Å; I296-F298 HydrophobicContact CG2-CE2 4.44Å; I296-F298 HydrophobicContact CG2-CG 4.19Å; I296-F298 HydrophobicContact CG2-CZ 4.05Å; I296-F298 WeakPolarHBondContact O-CD2 3.43Å; I296-F298 PolarHBondContact O-N 3.46Å
299R94Very high75.6Confident97 Ų9797.7 Ų97.737%0.36653%0.525SS..THydrogen-bonded Turntrans-92.5-14-177.2-59.6-179.561.5-139.3-6.2112.8D24 D297D24-R299 VanDerWaalsContact O-CG 3.31Å; D24-R299 WeakPolarHBondContact O-CG 3.39Å; D24-R299 IonicContact OD2-NE 3.49Å; D297-R299 PolarHBondContact O-N 3.22Å; D297-R299 WeakPolarHBondContact OD1-CB 3.37Å; D297-R299 PolarHBondContact OD1-N 2.94Å
300A93.3Very high73.1Confident34 Ų3499.9 Ų99.928%0.28153%0.528SS..SBendtrans-59.2150.8174.200000111R10 V11 D297R10-A300 VanDerWaalsContact CA-O 3.29Å; R10-A300 WeakPolarHBondContact CA-O 3.41Å; V11-A300 HydrophobicContact CG2-CB 4.29Å; V11-A300 PolarHBondContact N-O 3.42Å; D297-A300 HydrophobicContact CB-CB 4.05Å; D297-A300 WeakPolarHBondContact O-CB 3.36Å; D297-A300 PolarHBondContact O-N 2.78Å; D297-A300 VanDerWaalsContact O-N 3.1Å; D297-A300 PolarHBondContact OD1-N 2.85Å
301Y91.8Very high70.7Confident122 Ų122105.4 Ų105.448%0.47855%0.554SS.*BIsolated β-bridgetrans-73.4140.9168.4-69.2-74000109.6R8 R10 Q303R8-Y301 HydrophobicContact CB-CD1 3.48Å; R8-Y301 VanDerWaalsContact CB-CD1 3.48Å; R8-Y301 HydrophobicContact CB-CE1 3.88Å; R8-Y301 HydrophobicContact CB-CG 4.29Å; R10-Y301 HydrophobicContact CG-CD1 4.19Å; R10-Y301 HydrophobicContact CG-CE1 4.21Å; Y301-Q303 PolarHBondContact O-N 3.4Å
302V86.9Confident68.4Low62 Ų62108.8 Ų108.838%0.37656%0.563SS.*PPolyproline II helixtrans-61.1124.9173.1-178.60000107.8K9 V11 V14 E304K9-V302 HydrophobicContact CB-CG2 4.36Å; K9-V302 WeakPolarHBondContact O-CG2 3.29Å; K9-V302 PolarHBondContact O-N 2.96Å; V11-V302 HydrophobicContact CG2-CG2 4.47Å; V14-V302 HydrophobicContact CG1-CG2 4.44Å; V14-V302 HydrophobicContact CG2-CG2 3.37Å; V302-E304 PolarHBondContact O-N 2.88Å
303Q77.8Confident66Low179 Ų179109.2 Ų109.284%0.83658%0.578SS**PPolyproline II helixtrans-67.9121.6171-69-178.8-16.100107.5Y301 E305Y301-Q303 PolarHBondContact O-N 3.4Å; Q303-E305 PolarHBondContact O-N 3.09Å; Q303-E305 VanDerWaalsContact O-N 3.08Å
304E58.6Low63.8Low157 Ų157121.8 Ų121.873%0.73462%0.62SS**  trans-58.9115.3170.7-75.4175.6177.500107.5V302 K306V302-E304 PolarHBondContact O-N 2.88Å; E304-K306 PolarHBondContact O-N 3.09Å
305E54.2Low62.6Low110 Ų110121.2 Ų121.251%0.51461%0.608SS.*  trans-55.9110.2168-74-174.4156.800106S97 Q303 N307S97-E305 WeakPolarHBondContact CB-OE1 3.48Å; S97-E305 PolarHBondContact N-OE1 3.26Å; S97-E305 PolarHBondContact OG-OE1 3.42Å; S97-E305 PolarHBondContact OG-OE2 2.88Å; Q303-E305 PolarHBondContact O-N 3.09Å; Q303-E305 VanDerWaalsContact O-N 3.08Å; E305-N307 PolarHBondContact O-N 2.9Å
306K34.7Very low61.2Low190 Ų190125.7 Ų125.783%0.82662%0.621SS**  trans-55.8108.1169.2-86.4-177.1174.9-1790106E304 T308E304-K306 PolarHBondContact O-N 3.09Å; K306-T308 PolarHBondContact O-N 3.3Å; K306-T308 PolarHBondContact O-OG1 3.32Å
307N34.5Very low59.5Low132 Ų132130.7 Ų130.771%0.70665%0.645SS**  trans-6184.3168.8-87.3-26000108.5E305 N309E305-N307 PolarHBondContact O-N 2.9Å; N307-N309 PolarHBondContact O-N 3.28Å
308T31.6Very low57.5Low121 Ų121132.4 Ų132.474%0.74265%0.651SS**  trans-77.963164.5-16.30000107.6K306K306-T308 PolarHBondContact O-N 3.3Å; K306-T308 PolarHBondContact O-OG1 3.32Å
309N34.3Very low55.3Low137 Ų137139.9 Ų139.973%0.73369%0.688SS**  trans-129.423.7176.8-84.7-28.6000111.9N307N307-N309 PolarHBondContact O-N 3.28Å
310I40.1Very low52.7Low148 Ų148142.8 Ų142.876%0.75971%0.71SS**SBendtrans-111.5-4.3178.9-66.3178.7000113.5
311E35.6Very low49.8Very low174 Ų174150.6 Ų150.681%0.81374%0.741SS**SBendtrans-113.911.5-177.2-80-175.5155.900116.5
312L40Very low46.5Very low178 Ų178152.8 Ų152.893%0.93276%0.761SS**SBendtrans-110.117.3171.5-74.2167.5000113.8
313A39Very low43.2Very low93 Ų93160.3 Ų160.377%0.76979%0.793SS**  trans-124.226.3177.700000113.8
314R37.8Very low40Very low305 Ų305158.6 Ų158.6100%1.15179%0.789SS**  trans-127.70163.9-80.4-174.3176.3178.3-0.5109

Retrieved 314 of 314 residues in 326.4 ms (Link to these results)

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