A0A077ZNE8_TRITR Loading...

RNA-directed DNA polymerase

AlphaFold DB , UniProt , Accession A0A077ZNE8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 470 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M54.3Low61.5Low96 Ų9689.9 Ų89.947%0.47348%0.477SS..  0-60.30-160.1-166.668.800112.4V3 Q4 I5 I31M1-V3 PolarHBondContact O-N 3.39Å; M1-Q4 WeakPolarHBondContact O-CA 3.45Å; M1-Q4 VanDerWaalsContact O-CB 3.28Å; M1-Q4 WeakPolarHBondContact O-CB 3.15Å; M1-Q4 PolarHBondContact O-N 3.32Å; M1-I5 HydrophobicContact CE-CD1 3.86Å; M1-I5 HydrophobicContact CG-CD1 4.18Å; M1-I5 PolarHBondContact O-N 3.27Å; M1-I5 HydrophobicContact SD-CD1 4.47Å; M1-I31 HydrophobicContact CE-CB 4.46Å; M1-I31 HydrophobicContact CE-CD1 3.45Å; M1-I31 VanDerWaalsContact CE-CD1 3.45Å; M1-I31 HydrophobicContact CE-CG1 3.36Å; M1-I31 HydrophobicContact CE-CG2 4.37Å; M1-I31 HydrophobicContact SD-CG1 3.87Å
2F61.1Low62Low42 Ų4286.8 Ų86.818%0.18446%0.463CS..Hα-helixtrans-58.5-40.7-178.2-66-67.3000115Q4 I5 S6 Y14 I17 V18 T21 I31F2-Q4 PolarHBondContact O-N 3.03Å; F2-I5 PolarHBondContact O-N 3.27Å; F2-S6 WeakPolarHBondContact O-CB 3.37Å; F2-S6 PolarHBondContact O-N 3.03Å; F2-Y14 HydrophobicContact CB-CD2 4.25Å; F2-Y14 HydrophobicContact CB-CE2 3.42Å; F2-Y14 VanDerWaalsContact CB-CE2 3.42Å; F2-Y14 HydrophobicContact CG-CE2 4.48Å; F2-I17 HydrophobicContact CD1-CG2 3.96Å; F2-I17 HydrophobicContact CE1-CG2 4.37Å; F2-V18 HydrophobicContact CD1-CG2 4.09Å; F2-V18 HydrophobicContact CE1-CG2 4.45Å; F2-V18 HydrophobicContact CG-CG2 4.14Å; F2-T21 HydrophobicContact CE1-CG2 3.94Å; F2-T21 WeakPolarHBondContact CE1-OG1 3.36Å; F2-I31 HydrophobicContact CE1-CD1 4.23Å; F2-I31 HydrophobicContact CZ-CD1 3.72Å
3V60.5Low62.9Low91 Ų9192 Ų9255%0.55248%0.479SS*.Hα-helixtrans-58.2-37.6172.9177.50000111.4M1 K7M1-V3 PolarHBondContact O-N 3.39Å; V3-K7 WeakPolarHBondContact O-CB 3.41Å; V3-K7 VanDerWaalsContact O-CG 3.32Å; V3-K7 WeakPolarHBondContact O-CG 3.4Å; V3-K7 PolarHBondContact O-N 3.13Å
4Q60.5Low63.6Low130 Ų13093.6 Ų93.661%0.60748%0.477SS*.Hα-helixtrans-71.9-43.7178.5-161171.9-4.600110.8M1 F2 S6 K7 E8M1-Q4 WeakPolarHBondContact O-CA 3.45Å; M1-Q4 VanDerWaalsContact O-CB 3.28Å; M1-Q4 WeakPolarHBondContact O-CB 3.15Å; M1-Q4 PolarHBondContact O-N 3.32Å; F2-Q4 PolarHBondContact O-N 3.03Å; Q4-S6 VanDerWaalsContact C-N 3.35Å; Q4-S6 PolarHBondContact O-N 2.93Å; Q4-K7 PolarHBondContact O-N 3.12Å; Q4-E8 VanDerWaalsContact O-CG 3.25Å; Q4-E8 WeakPolarHBondContact O-CG 3.29Å; Q4-E8 PolarHBondContact O-N 3.16Å; Q4-E8 VanDerWaalsContact O-N 3.17Å
5I59.8Low64.5Low39 Ų3997.7 Ų97.720%0.249%0.486CS..Hα-helixtrans-61.8-42.8175-59171.6000110.9M1 F2 E8 L9 I17M1-I5 HydrophobicContact CE-CD1 3.86Å; M1-I5 HydrophobicContact CG-CD1 4.18Å; M1-I5 PolarHBondContact O-N 3.27Å; M1-I5 HydrophobicContact SD-CD1 4.47Å; F2-I5 PolarHBondContact O-N 3.27Å; I5-E8 CarbonylContact O-C 3.46Å; I5-E8 WeakPolarHBondContact O-CA 3.49Å; I5-E8 WeakPolarHBondContact O-CB 3.21Å; I5-E8 PolarHBondContact O-N 3.39Å; I5-L9 HydrophobicContact CG2-CD1 4.05Å; I5-L9 PolarHBondContact O-N 2.91Å; I5-I17 HydrophobicContact CG2-CD1 3.97Å; I5-I17 HydrophobicContact CG2-CG2 4.02Å
6S59.2Low65.3Low31 Ų3196.1 Ų96.122%0.21748%0.48CS..Hα-helixtrans-67.4-35.9179.4-173.20000112.3F2 Q4 E8 L9F2-S6 WeakPolarHBondContact O-CB 3.37Å; F2-S6 PolarHBondContact O-N 3.03Å; Q4-S6 VanDerWaalsContact C-N 3.35Å; Q4-S6 PolarHBondContact O-N 2.93Å; S6-E8 PolarHBondContact O-N 3.38Å; S6-L9 CarbonylContact O-C 3.49Å
7K63.4Low65.6Low170 Ų17091.1 Ų91.174%0.73946%0.455SS*.Hα-helixtrans-62.1-22.1167.4-76.5-179.7179.8-173.90112.9V3 Q4V3-K7 WeakPolarHBondContact O-CB 3.41Å; V3-K7 VanDerWaalsContact O-CG 3.32Å; V3-K7 WeakPolarHBondContact O-CG 3.4Å; V3-K7 PolarHBondContact O-N 3.13Å; Q4-K7 PolarHBondContact O-N 3.12Å
8E59.7Low66.1Low53 Ų5389 Ų8925%0.24845%0.447CS..Hα-helixtrans-99-21.6-177.2-68.3-163.6167.700114.6Q4 I5 S6 P10 P85 K86Q4-E8 VanDerWaalsContact O-CG 3.25Å; Q4-E8 WeakPolarHBondContact O-CG 3.29Å; Q4-E8 PolarHBondContact O-N 3.16Å; Q4-E8 VanDerWaalsContact O-N 3.17Å; I5-E8 CarbonylContact O-C 3.46Å; I5-E8 WeakPolarHBondContact O-CA 3.49Å; I5-E8 WeakPolarHBondContact O-CB 3.21Å; I5-E8 PolarHBondContact O-N 3.39Å; S6-E8 PolarHBondContact O-N 3.38Å; E8-P10 VanDerWaalsContact C-CD 3.48Å; E8-P10 WeakPolarHBondContact O-CD 3.46Å; E8-P85 WeakPolarHBondContact OE2-CB 3.4Å; E8-K86 HydrophobicContact CG-CD 4.38Å; E8-K86 WeakPolarHBondContact OE1-CD 3.27Å; E8-K86 WeakPolarHBondContact OE1-CE 3.4Å; E8-K86 IonicContact OE1-NZ 2.83Å; E8-K86 PolarHBondContact OE1-NZ 3.04Å
9L64.1Low66.8Low83 Ų8390.2 Ų90.244%0.43545%0.449SS..  trans-122.170174.3-67.4172.9000109.2I5 S6 V11 V12I5-L9 HydrophobicContact CG2-CD1 4.05Å; I5-L9 PolarHBondContact O-N 2.91Å; S6-L9 CarbonylContact O-C 3.49Å; L9-V11 PolarHBondContact O-N 3.33Å; L9-V11 VanDerWaalsContact O-N 3.1Å; L9-V12 HydrophobicContact CB-CB 4.06Å; L9-V12 HydrophobicContact CB-CG2 3.95Å; L9-V12 HydrophobicContact CD1-CG2 4.42Å; L9-V12 PolarHBondContact O-N 2.95Å; L9-V12 VanDerWaalsContact O-O 3.13Å
10P62.7Low67.3Low113 Ų11388.3 Ų88.373%0.73445%0.448SS*.THydrogen-bonded Turntrans-62.1-24.3-173.423.8-33.5000113.3E8 V12E8-P10 VanDerWaalsContact C-CD 3.48Å; E8-P10 WeakPolarHBondContact O-CD 3.46Å; P10-V12 VanDerWaalsContact C-N 3.28Å
11V71.5Confident67.6Low141 Ų14184.7 Ų84.786%0.85543%0.431SS*.THydrogen-bonded Turntrans-71.7-24.2176.2-171.80000111.8L9L9-V11 PolarHBondContact O-N 3.33Å; L9-V11 VanDerWaalsContact O-N 3.1Å
12V67.1Low68.7Low52 Ų5282.3 Ų82.332%0.31543%0.431SS..SBendtrans-98.3119.3-176.5-169.90000108.7L9 P10 D16 I17L9-V12 HydrophobicContact CB-CB 4.06Å; L9-V12 HydrophobicContact CB-CG2 3.95Å; L9-V12 HydrophobicContact CD1-CG2 4.42Å; L9-V12 PolarHBondContact O-N 2.95Å; L9-V12 VanDerWaalsContact O-O 3.13Å; P10-V12 VanDerWaalsContact C-N 3.28Å; V12-D16 HydrophobicContact CG1-CB 4.15Å; V12-I17 HydrophobicContact CB-CD1 4.32Å; V12-I17 HydrophobicContact CB-CG1 4.18Å; V12-I17 HydrophobicContact CG1-CD1 4.23Å; V12-I17 HydrophobicContact CG1-CG1 3.55Å
13K74.3Confident69.7Low155 Ų15587 Ų8767%0.67445%0.454SS*.  trans-63.8143.8-179.7-58.3179.2177.9177.40109.7Y15 D16 I17K13-Y15 PolarHBondContact O-N 2.92Å; K13-D16 WeakPolarHBondContact CB-OD2 3.44Å; K13-D16 WeakPolarHBondContact O-CB 3.47Å; K13-D16 PolarHBondContact O-N 3.35Å; K13-I17 PolarHBondContact O-N 3.32Å; K13-I17 VanDerWaalsContact O-N 3.15Å
14Y72.5Confident70.7Confident115 Ų11585 Ų8545%0.45144%0.443SS..Hα-helixtrans-50.3-44.8178174.1-93.7000112.4F2 D16 I17 V18F2-Y14 HydrophobicContact CB-CD2 4.25Å; F2-Y14 HydrophobicContact CB-CE2 3.42Å; F2-Y14 VanDerWaalsContact CB-CE2 3.42Å; F2-Y14 HydrophobicContact CG-CE2 4.48Å; Y14-D16 VanDerWaalsContact C-N 3.31Å; Y14-D16 PolarHBondContact O-N 3.38Å; Y14-I17 PolarHBondContact O-N 2.89Å; Y14-V18 HydrophobicContact CD1-CG2 4.15Å; Y14-V18 HydrophobicContact CE1-CG2 3.64Å; Y14-V18 HydrophobicContact CE2-CG2 4.19Å; Y14-V18 WeakPolarHBondContact O-CG2 3.46Å; Y14-V18 PolarHBondContact O-N 2.87Å
15Y76.9Confident71.8Confident154 Ų15485.8 Ų85.860%0.60445%0.448SS*.Hα-helixtrans-58.9-41.3177.9178.3-96000112.4K13 I17 V18 K19K13-Y15 PolarHBondContact O-N 2.92Å; Y15-I17 VanDerWaalsContact C-N 3.34Å; Y15-I17 PolarHBondContact O-N 3.08Å; Y15-V18 PolarHBondContact O-N 3.12Å; Y15-K19 HydrophobicContact CE1-CD 4.07Å; Y15-K19 WeakPolarHBondContact O-CB 3.45Å; Y15-K19 PolarHBondContact O-N 3.12Å
16D77.4Confident72.8Confident73 Ų7386.6 Ų86.639%0.3945%0.453SS..Hα-helixtrans-67-37.6179.5-58.9-31.9000111.2V12 K13 Y14 K19 A20V12-D16 HydrophobicContact CG1-CB 4.15Å; K13-D16 WeakPolarHBondContact CB-OD2 3.44Å; K13-D16 WeakPolarHBondContact O-CB 3.47Å; K13-D16 PolarHBondContact O-N 3.35Å; Y14-D16 VanDerWaalsContact C-N 3.31Å; Y14-D16 PolarHBondContact O-N 3.38Å; D16-K19 PolarHBondContact O-N 3.48Å; D16-A20 WeakPolarHBondContact O-CB 3.21Å; D16-A20 PolarHBondContact O-N 2.7Å
17I71.1Confident73.7Confident11 Ų1188.3 Ų88.36%0.05646%0.459CS..Hα-helixtrans-63.8-48.9174.3-59.1167.1000109.8F2 I5 V12 K13 Y14 Y15 K19 A20 T21F2-I17 HydrophobicContact CD1-CG2 3.96Å; F2-I17 HydrophobicContact CE1-CG2 4.37Å; I5-I17 HydrophobicContact CG2-CD1 3.97Å; I5-I17 HydrophobicContact CG2-CG2 4.02Å; V12-I17 HydrophobicContact CB-CD1 4.32Å; V12-I17 HydrophobicContact CB-CG1 4.18Å; V12-I17 HydrophobicContact CG1-CD1 4.23Å; V12-I17 HydrophobicContact CG1-CG1 3.55Å; K13-I17 PolarHBondContact O-N 3.32Å; K13-I17 VanDerWaalsContact O-N 3.15Å; Y14-I17 PolarHBondContact O-N 2.89Å; Y15-I17 VanDerWaalsContact C-N 3.34Å; Y15-I17 PolarHBondContact O-N 3.08Å; I17-K19 VanDerWaalsContact C-N 3.32Å; I17-K19 PolarHBondContact O-N 2.9Å; I17-A20 PolarHBondContact O-N 3.23Å; I17-T21 HydrophobicContact CG2-CG2 4.06Å; I17-T21 VanDerWaalsContact O-CB 3.28Å; I17-T21 WeakPolarHBondContact O-CB 3.35Å; I17-T21 VanDerWaalsContact O-CG2 3.22Å; I17-T21 WeakPolarHBondContact O-CG2 3.38Å; I17-T21 PolarHBondContact O-N 2.98Å; I17-T21 PolarHBondContact O-OG1 3.14Å
18V74.6Confident74.5Confident53 Ų5384 Ų8432%0.32144%0.442SS..Hα-helixtrans-61.6-42.1179.6174.80000110.7F2 Y14 Y15 T21 G22F2-V18 HydrophobicContact CD1-CG2 4.09Å; F2-V18 HydrophobicContact CE1-CG2 4.45Å; F2-V18 HydrophobicContact CG-CG2 4.14Å; Y14-V18 HydrophobicContact CD1-CG2 4.15Å; Y14-V18 HydrophobicContact CE1-CG2 3.64Å; Y14-V18 HydrophobicContact CE2-CG2 4.19Å; Y14-V18 WeakPolarHBondContact O-CG2 3.46Å; Y14-V18 PolarHBondContact O-N 2.87Å; Y15-V18 PolarHBondContact O-N 3.12Å; V18-T21 WeakPolarHBondContact CA-OG1 3.36Å; V18-T21 PolarHBondContact O-OG1 3.41Å; V18-T21 VanDerWaalsContact O-OG1 3.08Å; V18-G22 WeakPolarHBondContact O-CA 3.14Å; V18-G22 PolarHBondContact O-N 3.13Å
19K79.2Confident75.6Confident111 Ų11185.2 Ų85.248%0.48345%0.446SS..Hα-helixtrans-64.3-50.1176.9-172.2176.8-179.9179.70111.9Y15 D16 I17 G22 Q23Y15-K19 HydrophobicContact CE1-CD 4.07Å; Y15-K19 WeakPolarHBondContact O-CB 3.45Å; Y15-K19 PolarHBondContact O-N 3.12Å; D16-K19 PolarHBondContact O-N 3.48Å; I17-K19 VanDerWaalsContact C-N 3.32Å; I17-K19 PolarHBondContact O-N 2.9Å; K19-G22 PolarHBondContact O-N 2.89Å; K19-Q23 WeakPolarHBondContact O-CG 3.41Å; K19-Q23 PolarHBondContact O-N 3.48Å
20A76.1Confident76.3Confident52 Ų5282 Ų8243%0.4343%0.43SS..Hα-helixtrans-66.1-41.7-178.800000112.3D16 I17 G22 Q23 C24D16-A20 WeakPolarHBondContact O-CB 3.21Å; D16-A20 PolarHBondContact O-N 2.7Å; I17-A20 PolarHBondContact O-N 3.23Å; A20-G22 VanDerWaalsContact C-N 3.35Å; A20-Q23 PolarHBondContact O-N 3.45Å; A20-C24 PolarHBondContact O-N 2.88Å; A20-C24 VanDerWaalsContact O-N 3.1Å
21T73.5Confident77Confident13 Ų1377.1 Ų77.18%0.0840%0.398CS..Hα-helixtrans-68.3-35.9174.555.40000111.6F2 I17 V18 Q23 C24 L27 Q28F2-T21 HydrophobicContact CE1-CG2 3.94Å; F2-T21 WeakPolarHBondContact CE1-OG1 3.36Å; I17-T21 HydrophobicContact CG2-CG2 4.06Å; I17-T21 VanDerWaalsContact O-CB 3.28Å; I17-T21 WeakPolarHBondContact O-CB 3.35Å; I17-T21 VanDerWaalsContact O-CG2 3.22Å; I17-T21 WeakPolarHBondContact O-CG2 3.38Å; I17-T21 PolarHBondContact O-N 2.98Å; I17-T21 PolarHBondContact O-OG1 3.14Å; V18-T21 WeakPolarHBondContact CA-OG1 3.36Å; V18-T21 PolarHBondContact O-OG1 3.41Å; V18-T21 VanDerWaalsContact O-OG1 3.08Å; T21-Q23 VanDerWaalsContact C-N 3.29Å; T21-Q23 PolarHBondContact O-N 2.94Å; T21-C24 PolarHBondContact O-N 3.34Å; T21-L27 HydrophobicContact CG2-CD1 4.05Å; T21-Q28 WeakPolarHBondContact O-CG 3.26Å; T21-Q28 PolarHBondContact O-NE2 3.41Å
22G76.9Confident77.3Confident47 Ų4774.4 Ų74.449%0.48538%0.378SS..Hα-helixtrans-57.2-39.3171.500000113.1V18 K19 A20 Q28V18-G22 WeakPolarHBondContact O-CA 3.14Å; V18-G22 PolarHBondContact O-N 3.13Å; K19-G22 PolarHBondContact O-N 2.89Å; A20-G22 VanDerWaalsContact C-N 3.35Å; G22-Q28 VanDerWaalsContact CA-NE2 3.32Å
23Q81.9Confident77.9Confident141 Ų14172.9 Ų72.966%0.65937%0.37SS*.Hα-helixtrans-78.2-28.6179-70.4172.6-2100113.4K19 A20 T21 M25K19-Q23 WeakPolarHBondContact O-CG 3.41Å; K19-Q23 PolarHBondContact O-N 3.48Å; A20-Q23 PolarHBondContact O-N 3.45Å; T21-Q23 VanDerWaalsContact C-N 3.29Å; T21-Q23 PolarHBondContact O-N 2.94Å; Q23-M25 PolarHBondContact O-N 2.87Å
24C82Confident77.8Confident47 Ų4769 Ų6932%0.31836%0.359SS..  trans-85103.7-176.6-177.10000111.8A20 T21 L26 L27 Q28A20-C24 PolarHBondContact O-N 2.88Å; A20-C24 VanDerWaalsContact O-N 3.1Å; T21-C24 PolarHBondContact O-N 3.34Å; C24-L26 PolarHBondContact O-N 3.07Å; C24-L27 HydrophobicContact CB-CB 4.01Å; C24-L27 HydrophobicContact CB-CD1 3.86Å; C24-L27 HydrophobicContact CB-CG 4.1Å; C24-L27 PolarHBondContact O-N 3.42Å; C24-L27 VanDerWaalsContact O-N 3.08Å; C24-Q28 PolarHBondContact O-N 3.39Å
25M83Confident77.8Confident147 Ų14770.2 Ų70.272%0.72437%0.369SS*.Hα-helixtrans-53.2-39178.4-70-129.2-64.600113.7Q23 K29Q23-M25 PolarHBondContact O-N 2.87Å; M25-K29 WeakPolarHBondContact O-CG 3.44Å; M25-K29 PolarHBondContact O-N 3.3Å; M25-K29 VanDerWaalsContact O-N 3.1Å
26L82.8Confident77.9Confident57 Ų5768.9 Ų68.930%0.29837%0.372SS..Hα-helixtrans-66.1-44.9179-178.963.1000111.4C24 K29 V30 R48 L49 F52C24-L26 PolarHBondContact O-N 3.07Å; L26-K29 PolarHBondContact O-N 3.43Å; L26-V30 WeakPolarHBondContact O-CG2 3.45Å; L26-V30 PolarHBondContact O-N 3.35Å; L26-R48 HydrophobicContact CD1-CB 3.71Å; L26-L49 HydrophobicContact CD1-CD2 3.71Å; L26-L49 HydrophobicContact CD1-CG 4.44Å; L26-F52 HydrophobicContact CD2-CE2 4.28Å
27L78Confident77.7Confident67 Ų6767.4 Ų67.435%0.35137%0.374SS..Hα-helixtrans-66-40.2178.8-70.9172.3000110.9T21 C24 K29 V30 I31T21-L27 HydrophobicContact CG2-CD1 4.05Å; C24-L27 HydrophobicContact CB-CB 4.01Å; C24-L27 HydrophobicContact CB-CD1 3.86Å; C24-L27 HydrophobicContact CB-CG 4.1Å; C24-L27 PolarHBondContact O-N 3.42Å; C24-L27 VanDerWaalsContact O-N 3.08Å; L27-K29 VanDerWaalsContact C-N 3.31Å; L27-K29 PolarHBondContact O-N 3.34Å; L27-V30 PolarHBondContact O-N 3Å; L27-I31 WeakPolarHBondContact O-CB 3.38Å; L27-I31 WeakPolarHBondContact O-CG1 3.43Å; L27-I31 PolarHBondContact O-N 3.38Å
28Q79.8Confident78Confident79 Ų7968 Ų6837%0.36938%0.376SS..Hα-helixtrans-56.5-44.8173-72.1-58-44.500112T21 G22 C24 I31 N32T21-Q28 WeakPolarHBondContact O-CG 3.26Å; T21-Q28 PolarHBondContact O-NE2 3.41Å; G22-Q28 VanDerWaalsContact CA-NE2 3.32Å; C24-Q28 PolarHBondContact O-N 3.39Å; Q28-I31 PolarHBondContact O-N 2.97Å; Q28-N32 VanDerWaalsContact O-CB 3.3Å; Q28-N32 WeakPolarHBondContact O-CB 3.48Å; Q28-N32 PolarHBondContact O-N 3.35Å
29K82.6Confident78Confident79 Ų7967.8 Ų67.834%0.34338%0.376SS..Hα-helixtrans-63.3-42.2175.4-70.9179.6179-172.70112.7M25 L26 L27 N32 C33 E46 L49M25-K29 WeakPolarHBondContact O-CG 3.44Å; M25-K29 PolarHBondContact O-N 3.3Å; M25-K29 VanDerWaalsContact O-N 3.1Å; L26-K29 PolarHBondContact O-N 3.43Å; L27-K29 VanDerWaalsContact C-N 3.31Å; L27-K29 PolarHBondContact O-N 3.34Å; K29-N32 WeakPolarHBondContact O-CB 3.23Å; K29-N32 PolarHBondContact O-N 3.21Å; K29-C33 PolarHBondContact O-N 3.14Å; K29-C33 PolarHBondContact O-SG 2.95Å; K29-E46 VanDerWaalsContact CD-OE2 3.26Å; K29-E46 WeakPolarHBondContact CD-OE2 3.33Å; K29-E46 WeakPolarHBondContact CE-OE2 3.15Å; K29-E46 IonicContact NZ-OE1 3.13Å; K29-E46 PolarHBondContact NZ-OE1 3.27Å; K29-E46 VanDerWaalsContact NZ-OE1 3.13Å; K29-E46 IonicContact NZ-OE2 2.62Å; K29-E46 PolarHBondContact NZ-OE2 3.05Å; K29-L49 HydrophobicContact CB-CD1 4.16Å; K29-L49 HydrophobicContact CB-CD2 3.95Å
30V78.6Confident77.6Confident16 Ų1672.1 Ų72.110%0.09740%0.395CS..Hα-helixtrans-62.9-45.1176173.90000110.8L26 L27 N32 C33 V34 W38 L49 F52L26-V30 WeakPolarHBondContact O-CG2 3.45Å; L26-V30 PolarHBondContact O-N 3.35Å; L27-V30 PolarHBondContact O-N 3Å; V30-N32 VanDerWaalsContact C-N 3.34Å; V30-N32 PolarHBondContact O-N 3.12Å; V30-C33 PolarHBondContact O-N 3.31Å; V30-V34 HydrophobicContact CG1-CG2 4.36Å; V30-V34 VanDerWaalsContact O-CG2 3.28Å; V30-V34 WeakPolarHBondContact O-CG2 3.42Å; V30-V34 PolarHBondContact O-N 3.05Å; V30-W38 HydrophobicContact CG1-CH2 4.46Å; V30-W38 HydrophobicContact CG1-CZ2 4.39Å; V30-L49 HydrophobicContact CB-CD2 4.49Å; V30-L49 HydrophobicContact CG2-CD2 3.46Å; V30-L49 VanDerWaalsContact CG2-CD2 3.46Å; V30-F52 HydrophobicContact CG1-CB 4.5Å; V30-F52 HydrophobicContact CG1-CD1 4.05Å; V30-F52 HydrophobicContact CG1-CG 4.26Å; V30-F52 HydrophobicContact CG2-CB 4.41Å; V30-F52 HydrophobicContact CG2-CD1 4.08Å; V30-F52 HydrophobicContact CG2-CD2 3.69Å; V30-F52 HydrophobicContact CG2-CE1 4.24Å; V30-F52 HydrophobicContact CG2-CE2 3.87Å; V30-F52 HydrophobicContact CG2-CG 3.8Å; V30-F52 HydrophobicContact CG2-CZ 4.14Å
31I76.4Confident77.3Confident10 Ų1074.4 Ų74.45%0.05140%0.4CS..Hα-helixtrans-59.8-47.2177.7-68170.1000110.1M1 F2 L27 Q28 C33 V34 Q35M1-I31 HydrophobicContact CE-CB 4.46Å; M1-I31 HydrophobicContact CE-CD1 3.45Å; M1-I31 VanDerWaalsContact CE-CD1 3.45Å; M1-I31 HydrophobicContact CE-CG1 3.36Å; M1-I31 HydrophobicContact CE-CG2 4.37Å; M1-I31 HydrophobicContact SD-CG1 3.87Å; F2-I31 HydrophobicContact CE1-CD1 4.23Å; F2-I31 HydrophobicContact CZ-CD1 3.72Å; L27-I31 WeakPolarHBondContact O-CB 3.38Å; L27-I31 WeakPolarHBondContact O-CG1 3.43Å; L27-I31 PolarHBondContact O-N 3.38Å; Q28-I31 PolarHBondContact O-N 2.97Å; I31-C33 VanDerWaalsContact C-N 3.34Å; I31-C33 PolarHBondContact O-N 2.89Å; I31-V34 PolarHBondContact O-N 3Å; I31-V34 VanDerWaalsContact O-N 3.11Å; I31-Q35 HydrophobicContact CG2-CG 4.39Å; I31-Q35 WeakPolarHBondContact O-CB 3.42Å; I31-Q35 WeakPolarHBondContact O-CG 3.37Å; I31-Q35 PolarHBondContact O-N 3.42Å
32N79.4Confident77Confident83 Ų8376.1 Ų76.144%0.44442%0.415SS..Hα-helixtrans-56.7-46.3175.5-174.954.1000111.5Q28 K29 V30 V34 Q35 N36Q28-N32 VanDerWaalsContact O-CB 3.3Å; Q28-N32 WeakPolarHBondContact O-CB 3.48Å; Q28-N32 PolarHBondContact O-N 3.35Å; K29-N32 WeakPolarHBondContact O-CB 3.23Å; K29-N32 PolarHBondContact O-N 3.21Å; V30-N32 VanDerWaalsContact C-N 3.34Å; V30-N32 PolarHBondContact O-N 3.12Å; N32-V34 VanDerWaalsContact C-N 3.33Å; N32-V34 PolarHBondContact O-N 2.92Å; N32-Q35 PolarHBondContact O-N 2.88Å; N32-N36 WeakPolarHBondContact O-CB 3.34Å; N32-N36 PolarHBondContact O-N 3.36Å; N32-N36 PolarHBondContact OD1-ND2 3.35Å
33C79Confident76.8Confident21 Ų2183.5 Ų83.514%0.14243%0.434CS..Hα-helixtrans-66.4-32.9176.5-63.40000112.9K29 V30 I31 G37 W38K29-C33 PolarHBondContact O-N 3.14Å; K29-C33 PolarHBondContact O-SG 2.95Å; V30-C33 PolarHBondContact O-N 3.31Å; I31-C33 VanDerWaalsContact C-N 3.34Å; I31-C33 PolarHBondContact O-N 2.89Å; C33-G37 CarbonylContact O-C 2.99Å; C33-G37 WeakPolarHBondContact O-CA 3.33Å; C33-G37 PolarHBondContact O-N 3.32Å; C33-G37 VanDerWaalsContact O-N 3.1Å; C33-W38 HydrophobicContact CB-CD2 3.59Å; C33-W38 VanDerWaalsContact CB-CE2 3.5Å; C33-W38 HydrophobicContact CB-CE3 3.8Å; C33-W38 HydrophobicContact CB-CG 4.12Å; C33-W38 HydrophobicContact CB-CH2 3.84Å; C33-W38 HydrophobicContact CB-CZ2 3.64Å; C33-W38 HydrophobicContact CB-CZ3 3.93Å; C33-W38 PolarHBondContact O-N 3.23Å; C33-W38 PolarHBondContact O-NE1 3.46Å
34V71.6Confident76.6Confident72 Ų7282 Ų8244%0.43643%0.431SS..Hα-helixtrans-69.8-38.1175.6170.60000111.3V30 I31 N32 W38V30-V34 HydrophobicContact CG1-CG2 4.36Å; V30-V34 VanDerWaalsContact O-CG2 3.28Å; V30-V34 WeakPolarHBondContact O-CG2 3.42Å; V30-V34 PolarHBondContact O-N 3.05Å; I31-V34 PolarHBondContact O-N 3Å; I31-V34 VanDerWaalsContact O-N 3.11Å; N32-V34 VanDerWaalsContact C-N 3.33Å; N32-V34 PolarHBondContact O-N 2.92Å; V34-W38 HydrophobicContact CG2-CZ2 4.18Å
35Q73.6Confident76.3Confident141 Ų14180.6 Ų80.666%0.65942%0.42SS*.Hα-helixtrans-81.1-48.1-178.3-71.8177.2-3800113.1I31 N32I31-Q35 HydrophobicContact CG2-CG 4.39Å; I31-Q35 WeakPolarHBondContact O-CB 3.42Å; I31-Q35 WeakPolarHBondContact O-CG 3.37Å; I31-Q35 PolarHBondContact O-N 3.42Å; N32-Q35 PolarHBondContact O-N 2.88Å
36N78.6Confident76.2Confident126 Ų12676.9 Ų76.967%0.67440%0.401SS*.Hα-helixtrans-95.1-2.6-173.9-65.9-37.7000113.4N32N32-N36 WeakPolarHBondContact O-CB 3.34Å; N32-N36 PolarHBondContact O-N 3.36Å; N32-N36 PolarHBondContact OD1-ND2 3.35Å
37G73.9Confident76.1Confident42 Ų4280.5 Ų80.543%0.43342%0.416SS..  trans94.6155.9-176.500000112.8C33C33-G37 CarbonylContact O-C 2.99Å; C33-G37 WeakPolarHBondContact O-CA 3.33Å; C33-G37 PolarHBondContact O-N 3.32Å; C33-G37 VanDerWaalsContact O-N 3.1Å
38W76.4Confident76.1Confident25 Ų2585.9 Ų85.910%0.09543%0.432CS..  trans-92.3151.6176.2-6673.1000109.5V30 C33 V34 K40 I45 L49 F52 F53 Y57V30-W38 HydrophobicContact CG1-CH2 4.46Å; V30-W38 HydrophobicContact CG1-CZ2 4.39Å; C33-W38 HydrophobicContact CB-CD2 3.59Å; C33-W38 VanDerWaalsContact CB-CE2 3.5Å; C33-W38 HydrophobicContact CB-CE3 3.8Å; C33-W38 HydrophobicContact CB-CG 4.12Å; C33-W38 HydrophobicContact CB-CH2 3.84Å; C33-W38 HydrophobicContact CB-CZ2 3.64Å; C33-W38 HydrophobicContact CB-CZ3 3.93Å; C33-W38 PolarHBondContact O-N 3.23Å; C33-W38 PolarHBondContact O-NE1 3.46Å; V34-W38 HydrophobicContact CG2-CZ2 4.18Å; W38-K40 PolarHBondContact O-N 3.03Å; W38-I45 HydrophobicContact CE3-CD1 4.45Å; W38-L49 HydrophobicContact CZ3-CB 4.13Å; W38-F52 HydrophobicContact CH2-CB 3.55Å; W38-F52 HydrophobicContact CZ2-CB 4.17Å; W38-F52 HydrophobicContact CZ3-CB 4.35Å; W38-F53 HydrophobicContact CB-CD2 3.91Å; W38-F53 HydrophobicContact CB-CE2 4.07Å; W38-F53 HydrophobicContact CD2-CD2 4.05Å; W38-F53 HydrophobicContact CE3-CB 3.78Å; W38-F53 AromaticContact CE3-CD2 3.76Å; W38-F53 HydrophobicContact CE3-CD2 3.76Å; W38-F53 HydrophobicContact CE3-CG 4.27Å; W38-F53 HydrophobicContact CG-CD2 4.14Å; W38-F53 HydrophobicContact CZ3-CB 3.87Å; W38-Y57 HydrophobicContact CB-CE2 3.69Å; W38-Y57 AromaticContact CD1-CE2 3.73Å; W38-Y57 HydrophobicContact CD2-CE2 4.21Å; W38-Y57 AromaticContact CG-CE2 3.55Å; W38-Y57 HydrophobicContact CG-CE2 3.55Å
39S74.3Confident76.1Confident47 Ų4782.6 Ų82.633%0.32942%0.417SS..  trans-55.5142.4169.4-176.90000110.4N41 F53S39-N41 VanDerWaalsContact C-N 3.27Å; S39-N41 PolarHBondContact O-N 3.1Å; S39-N41 PolarHBondContact OG-N 3.17Å; S39-N41 PolarHBondContact OG-O 3.4Å; S39-F53 WeakPolarHBondContact O-CE2 3.24Å
40K71Confident75.8Confident203 Ų20380.6 Ų80.688%0.88341%0.409SS*.SBendtrans-67.9-30.7177.1-66-177.5-179.4177.80111.7W38W38-K40 PolarHBondContact O-N 3.03Å
41N70.3Confident75.6Confident100 Ų10081.5 Ų81.554%0.53542%0.415SS..SBendtrans-104.4123.7-178.7-66.4-31.7000110.2S39 K43 D44S39-N41 VanDerWaalsContact C-N 3.27Å; S39-N41 PolarHBondContact O-N 3.1Å; S39-N41 PolarHBondContact OG-N 3.17Å; S39-N41 PolarHBondContact OG-O 3.4Å; N41-K43 PolarHBondContact O-N 3.32Å; N41-K43 VanDerWaalsContact O-N 3.1Å; N41-D44 WeakPolarHBondContact CB-OD2 3.09Å; N41-D44 PolarHBondContact O-N 3.28Å
42A68Low75.5Confident48 Ų4884 Ų8440%0.39743%0.426SS..G310 helixtrans-60.2-21.7176.100000113.6D44 I45 F53A42-D44 VanDerWaalsContact C-N 3.28Å; A42-D44 PolarHBondContact O-N 3.42Å; A42-I45 PolarHBondContact O-N 3.34Å; A42-F53 HydrophobicContact CB-CE1 4.09Å
43K72.7Confident75.3Confident202 Ų20281 Ų8188%0.87841%0.409SS*.G310 helixtrans-67.2-27.2176.2-67.1-175.6179-179.70113.3N41 I45N41-K43 PolarHBondContact O-N 3.32Å; N41-K43 VanDerWaalsContact O-N 3.1Å; K43-I45 VanDerWaalsContact C-N 3.27Å
44D75.9Confident74.9Confident110 Ų11081 Ų8159%0.58841%0.406SS*.G310 helixtrans-91.34.1-178-52.7-30.1000111.6N41 A42N41-D44 WeakPolarHBondContact CB-OD2 3.09Å; N41-D44 PolarHBondContact O-N 3.28Å; A42-D44 VanDerWaalsContact C-N 3.28Å; A42-D44 PolarHBondContact O-N 3.42Å
45I76.6Confident74.8Confident17 Ų1779.8 Ų79.89%0.08740%0.396CS..SBendtrans-96.3126-178.4-58.3-179000108.4W38 A42 K43 E47 L49 I50 F53W38-I45 HydrophobicContact CE3-CD1 4.45Å; A42-I45 PolarHBondContact O-N 3.34Å; K43-I45 VanDerWaalsContact C-N 3.27Å; I45-E47 PolarHBondContact O-N 3.34Å; I45-L49 HydrophobicContact CG2-CB 3.61Å; I45-I50 HydrophobicContact CB-CG1 4.47Å; I45-I50 HydrophobicContact CG2-CG1 4.15Å; I45-F53 HydrophobicContact CD1-CB 3.89Å; I45-F53 HydrophobicContact CD1-CD1 3.87Å; I45-F53 HydrophobicContact CD1-CD2 3.18Å; I45-F53 HydrophobicContact CD1-CE1 4.18Å; I45-F53 HydrophobicContact CD1-CE2 3.53Å; I45-F53 HydrophobicContact CD1-CG 3.36Å; I45-F53 HydrophobicContact CD1-CZ 4.02Å
46E81.8Confident74.5Confident69 Ų6978 Ų7832%0.32239%0.387SS..  trans-50.5135.4172.1-178.9-179.8169.200110.6K29 R48 L49 I50K29-E46 VanDerWaalsContact CD-OE2 3.26Å; K29-E46 WeakPolarHBondContact CD-OE2 3.33Å; K29-E46 WeakPolarHBondContact CE-OE2 3.15Å; K29-E46 IonicContact NZ-OE1 3.13Å; K29-E46 PolarHBondContact NZ-OE1 3.27Å; K29-E46 VanDerWaalsContact NZ-OE1 3.13Å; K29-E46 IonicContact NZ-OE2 2.62Å; K29-E46 PolarHBondContact NZ-OE2 3.05Å; E46-R48 HydrophobicContact CG-CB 4.49Å; E46-R48 PolarHBondContact O-N 3.06Å; E46-L49 HydrophobicContact CB-CD1 4.1Å; E46-L49 HydrophobicContact CB-CG 4.23Å; E46-L49 WeakPolarHBondContact O-CA 3.49Å; E46-L49 WeakPolarHBondContact O-CB 3.32Å; E46-L49 PolarHBondContact O-N 3.15Å; E46-I50 PolarHBondContact O-N 3.05Å
47E78.9Confident73.7Confident133 Ų13377.1 Ų77.162%0.62138%0.375SS*.G310 helixtrans-50.9-38.4-173.1-170.8179.1-175.600113.2I45 L49 I50 T256I45-E47 PolarHBondContact O-N 3.34Å; E47-L49 VanDerWaalsContact C-N 3.26Å; E47-L49 PolarHBondContact O-N 3.42Å; E47-I50 HydrophobicContact CG-CD1 4.41Å; E47-I50 WeakPolarHBondContact O-CB 3.13Å; E47-I50 PolarHBondContact O-N 2.91Å; E47-T256 HydrophobicContact CG-CG2 3.96Å; E47-T256 WeakPolarHBondContact OE1-CG2 3.3Å
48R79.9Confident73.3Confident180 Ų18078.4 Ų78.468%0.67937%0.369SS*.G310 helixtrans-66.9-22.5178.5-62.1-179.3178.6175.10.4114L26 E46L26-R48 HydrophobicContact CD1-CB 3.71Å; E46-R48 HydrophobicContact CG-CB 4.49Å; E46-R48 PolarHBondContact O-N 3.06Å
49L79.3Confident73.1Confident11 Ų1182 Ų826%0.05839%0.39CS..G310 helixtrans-91.6-16.7179.5-64.2178.7000112.8L26 K29 V30 W38 I45 E46 E47 F52 F53L26-L49 HydrophobicContact CD1-CD2 3.71Å; L26-L49 HydrophobicContact CD1-CG 4.44Å; K29-L49 HydrophobicContact CB-CD1 4.16Å; K29-L49 HydrophobicContact CB-CD2 3.95Å; V30-L49 HydrophobicContact CB-CD2 4.49Å; V30-L49 HydrophobicContact CG2-CD2 3.46Å; V30-L49 VanDerWaalsContact CG2-CD2 3.46Å; W38-L49 HydrophobicContact CZ3-CB 4.13Å; I45-L49 HydrophobicContact CG2-CB 3.61Å; E46-L49 HydrophobicContact CB-CD1 4.1Å; E46-L49 HydrophobicContact CB-CG 4.23Å; E46-L49 WeakPolarHBondContact O-CA 3.49Å; E46-L49 WeakPolarHBondContact O-CB 3.32Å; E46-L49 PolarHBondContact O-N 3.15Å; E47-L49 VanDerWaalsContact C-N 3.26Å; E47-L49 PolarHBondContact O-N 3.42Å; L49-F52 PolarHBondContact O-N 2.94Å; L49-F52 VanDerWaalsContact O-N 3.12Å; L49-F53 PolarHBondContact O-N 3.39Å; L49-F53 VanDerWaalsContact O-N 3.1Å
50I76.7Confident73.4Confident37 Ų3780 Ų8019%0.1938%0.376CS..Hα-helixtrans-54.1-46.1-178.1-61.3176.4000112.1I45 E46 E47 F52 F53 R54 A255I45-I50 HydrophobicContact CB-CG1 4.47Å; I45-I50 HydrophobicContact CG2-CG1 4.15Å; E46-I50 PolarHBondContact O-N 3.05Å; E47-I50 HydrophobicContact CG-CD1 4.41Å; E47-I50 WeakPolarHBondContact O-CB 3.13Å; E47-I50 PolarHBondContact O-N 2.91Å; I50-F52 VanDerWaalsContact C-N 3.27Å; I50-F52 PolarHBondContact O-N 2.97Å; I50-F53 WeakPolarHBondContact O-CB 3.45Å; I50-F53 PolarHBondContact O-N 3.44Å; I50-R54 HydrophobicContact CG2-CG 4.04Å; I50-R54 VanDerWaalsContact O-CG 3.3Å; I50-R54 WeakPolarHBondContact O-CG 3.47Å; I50-R54 PolarHBondContact O-N 3.11Å; I50-A255 HydrophobicContact CG2-CB 3.65Å
51P73.3Confident74Confident34 Ų3470.6 Ų70.622%0.22134%0.336CS..Hα-helixtrans-57.3-39179.9-26.135.8000113.5R54 I55 Y82P51-R54 PolarHBondContact O-N 3.2Å; P51-I55 VanDerWaalsContact O-CG1 3.31Å; P51-I55 WeakPolarHBondContact O-CG1 3.39Å; P51-I55 PolarHBondContact O-N 3.42Å; P51-I55 VanDerWaalsContact O-N 3.08Å; P51-Y82 HydrophobicContact CB-CD1 4.11Å; P51-Y82 HydrophobicContact CB-CE1 4.09Å; P51-Y82 WeakPolarHBondContact O-CE1 3.5Å
52F75Confident74.8Confident62 Ų6270.5 Ų70.527%0.27233%0.333SS..Hα-helixtrans-69.8-42.4178.7-61.2-85.2000112.1L26 V30 W38 L49 I50 R54 I55 K56L26-F52 HydrophobicContact CD2-CE2 4.28Å; V30-F52 HydrophobicContact CG1-CB 4.5Å; V30-F52 HydrophobicContact CG1-CD1 4.05Å; V30-F52 HydrophobicContact CG1-CG 4.26Å; V30-F52 HydrophobicContact CG2-CB 4.41Å; V30-F52 HydrophobicContact CG2-CD1 4.08Å; V30-F52 HydrophobicContact CG2-CD2 3.69Å; V30-F52 HydrophobicContact CG2-CE1 4.24Å; V30-F52 HydrophobicContact CG2-CE2 3.87Å; V30-F52 HydrophobicContact CG2-CG 3.8Å; V30-F52 HydrophobicContact CG2-CZ 4.14Å; W38-F52 HydrophobicContact CH2-CB 3.55Å; W38-F52 HydrophobicContact CZ2-CB 4.17Å; W38-F52 HydrophobicContact CZ3-CB 4.35Å; L49-F52 PolarHBondContact O-N 2.94Å; L49-F52 VanDerWaalsContact O-N 3.12Å; I50-F52 VanDerWaalsContact C-N 3.27Å; I50-F52 PolarHBondContact O-N 2.97Å; F52-R54 VanDerWaalsContact C-N 3.31Å; F52-R54 PolarHBondContact O-N 2.94Å; F52-I55 PolarHBondContact O-N 2.91Å; F52-K56 PolarHBondContact O-N 3.03Å
53F73.8Confident75.8Confident20 Ų2069.6 Ų69.69%0.08832%0.321CS..Hα-helixtrans-56-47.9172.3178.8-97.6000110.7W38 S39 A42 I45 L49 I50 I55 K56 Y57W38-F53 HydrophobicContact CB-CD2 3.91Å; W38-F53 HydrophobicContact CB-CE2 4.07Å; W38-F53 HydrophobicContact CD2-CD2 4.05Å; W38-F53 HydrophobicContact CE3-CB 3.78Å; W38-F53 AromaticContact CE3-CD2 3.76Å; W38-F53 HydrophobicContact CE3-CD2 3.76Å; W38-F53 HydrophobicContact CE3-CG 4.27Å; W38-F53 HydrophobicContact CG-CD2 4.14Å; W38-F53 HydrophobicContact CZ3-CB 3.87Å; S39-F53 WeakPolarHBondContact O-CE2 3.24Å; A42-F53 HydrophobicContact CB-CE1 4.09Å; I45-F53 HydrophobicContact CD1-CB 3.89Å; I45-F53 HydrophobicContact CD1-CD1 3.87Å; I45-F53 HydrophobicContact CD1-CD2 3.18Å; I45-F53 HydrophobicContact CD1-CE1 4.18Å; I45-F53 HydrophobicContact CD1-CE2 3.53Å; I45-F53 HydrophobicContact CD1-CG 3.36Å; I45-F53 HydrophobicContact CD1-CZ 4.02Å; L49-F53 PolarHBondContact O-N 3.39Å; L49-F53 VanDerWaalsContact O-N 3.1Å; I50-F53 WeakPolarHBondContact O-CB 3.45Å; I50-F53 PolarHBondContact O-N 3.44Å; F53-I55 PolarHBondContact O-N 3.15Å; F53-K56 PolarHBondContact O-N 2.79Å; F53-K56 VanDerWaalsContact O-N 3.14Å; F53-Y57 HydrophobicContact CD1-CD2 4.31Å; F53-Y57 AromaticContact CD2-CD2 3.26Å; F53-Y57 HydrophobicContact CD2-CD2 3.26Å; F53-Y57 AromaticContact CD2-CE2 3.47Å; F53-Y57 HydrophobicContact CD2-CE2 3.47Å; F53-Y57 VanDerWaalsContact CD2-CE2 3.47Å; F53-Y57 HydrophobicContact CD2-CG 4.31Å; F53-Y57 HydrophobicContact CE1-CD2 4.29Å; F53-Y57 AromaticContact CE2-CD2 3.26Å; F53-Y57 HydrophobicContact CE2-CD2 3.26Å; F53-Y57 AromaticContact CE2-CE2 3.5Å; F53-Y57 HydrophobicContact CE2-CE2 3.5Å; F53-Y57 VanDerWaalsContact CE2-CE2 3.5Å; F53-Y57 AromaticContact CE2-CG 3.95Å; F53-Y57 HydrophobicContact CE2-CG 3.95Å; F53-Y57 AromaticContact CG-CD2 3.83Å; F53-Y57 HydrophobicContact CG-CD2 3.83Å; F53-Y57 HydrophobicContact CG-CE2 4.4Å; F53-Y57 AromaticContact CZ-CD2 3.81Å; F53-Y57 HydrophobicContact CZ-CD2 3.81Å; F53-Y57 HydrophobicContact CZ-CE2 4.42Å; F53-Y57 HydrophobicContact CZ-CG 4.09Å; F53-Y57 VanDerWaalsContact O-CD2 3.23Å; F53-Y57 WeakPolarHBondContact O-CD2 3.3Å; F53-Y57 PolarHBondContact O-N 3.35Å
54R71.8Confident76.6Confident23 Ų2360.1 Ų60.19%0.08728%0.281CS..Hα-helixtrans-67-36.5-177.7-63.1-172.284.5-160.37.9113.7I50 P51 F52 K56 E58 Y82 K252 L253 H254 A255I50-R54 HydrophobicContact CG2-CG 4.04Å; I50-R54 VanDerWaalsContact O-CG 3.3Å; I50-R54 WeakPolarHBondContact O-CG 3.47Å; I50-R54 PolarHBondContact O-N 3.11Å; P51-R54 PolarHBondContact O-N 3.2Å; F52-R54 VanDerWaalsContact C-N 3.31Å; F52-R54 PolarHBondContact O-N 2.94Å; R54-K56 VanDerWaalsContact C-N 3.25Å; R54-K56 PolarHBondContact O-N 3.2Å; R54-E58 HydrophobicContact CB-CB 4.43Å; R54-E58 HydrophobicContact CB-CG 4.38Å; R54-E58 HydrophobicContact CG-CG 4.37Å; R54-E58 WeakPolarHBondContact CG-OE1 3.4Å; R54-E58 IonicContact CZ-OE1 3.2Å; R54-E58 IonicContact CZ-OE2 2.81Å; R54-E58 IonicContact NE-OE1 2.63Å; R54-E58 PolarHBondContact NE-OE1 3.33Å; R54-E58 IonicContact NE-OE2 3.74Å; R54-E58 PolarHBondContact NE-OE2 3.46Å; R54-E58 IonicContact NH2-OE1 3.58Å; R54-E58 IonicContact NH2-OE2 2.87Å; R54-E58 PolarHBondContact NH2-OE2 3.09Å; R54-E58 WeakPolarHBondContact O-CB 3.33Å; R54-E58 PolarHBondContact O-N 3.26Å; R54-Y82 HydrophobicContact CB-CE1 4.29Å; R54-Y82 PolarHBondContact NH1-OH 2.96Å; R54-K252 PolarHBondContact NH1-O 2.92Å; R54-K252 PolarHBondContact NH2-O 3.21Å; R54-L253 PolarHBondContact NH1-O 3.35Å; R54-L253 VanDerWaalsContact NH1-O 3.08Å; R54-H254 PolarHBondContact NH1-O 3.02Å; R54-A255 VanDerWaalsContact NH1-CA 3.32Å
55I69.7Low77.3Confident45 Ų4555.1 Ų55.123%0.23125%0.254CS..Hα-helixtrans-56.9-44.6172.9-68.3162.4000110.2P51 F52 F53 Y82 W84P51-I55 VanDerWaalsContact O-CG1 3.31Å; P51-I55 WeakPolarHBondContact O-CG1 3.39Å; P51-I55 PolarHBondContact O-N 3.42Å; P51-I55 VanDerWaalsContact O-N 3.08Å; F52-I55 PolarHBondContact O-N 2.91Å; F53-I55 PolarHBondContact O-N 3.15Å; I55-Y82 HydrophobicContact CD1-CD1 3.73Å; I55-Y82 HydrophobicContact CD1-CG 4.23Å; I55-Y82 HydrophobicContact CG1-CD1 3.5Å; I55-Y82 HydrophobicContact CG1-CE1 4.06Å; I55-Y82 HydrophobicContact CG1-CG 4Å; I55-W84 HydrophobicContact CD1-CE3 3.79Å; I55-W84 HydrophobicContact CD1-CZ3 4.28Å; I55-W84 HydrophobicContact CG1-CE3 4.11Å; I55-W84 HydrophobicContact CG1-CZ3 4.15Å; I55-W84 HydrophobicContact CG2-CD2 4.42Å; I55-W84 HydrophobicContact CG2-CE3 4.18Å; I55-W84 HydrophobicContact CG2-CZ3 4.45Å
56K66.3Low78Confident105 Ų10556 Ų5646%0.45726%0.258SS..Hα-helixtrans-73.7-44.3-177-173.9176.7177.1-166.40113F52 F53 R54F52-K56 PolarHBondContact O-N 3.03Å; F53-K56 PolarHBondContact O-N 2.79Å; F53-K56 VanDerWaalsContact O-N 3.14Å; R54-K56 VanDerWaalsContact C-N 3.25Å; R54-K56 PolarHBondContact O-N 3.2Å
57Y62.6Low78.4Confident107 Ų10752.9 Ų52.942%0.4224%0.243SC..Hα-helixtrans-103.3-30.3-167.4-67.4-77.8000114.7W38 F53W38-Y57 HydrophobicContact CB-CE2 3.69Å; W38-Y57 AromaticContact CD1-CE2 3.73Å; W38-Y57 HydrophobicContact CD2-CE2 4.21Å; W38-Y57 AromaticContact CG-CE2 3.55Å; W38-Y57 HydrophobicContact CG-CE2 3.55Å; F53-Y57 HydrophobicContact CD1-CD2 4.31Å; F53-Y57 AromaticContact CD2-CD2 3.26Å; F53-Y57 HydrophobicContact CD2-CD2 3.26Å; F53-Y57 AromaticContact CD2-CE2 3.47Å; F53-Y57 HydrophobicContact CD2-CE2 3.47Å; F53-Y57 VanDerWaalsContact CD2-CE2 3.47Å; F53-Y57 HydrophobicContact CD2-CG 4.31Å; F53-Y57 HydrophobicContact CE1-CD2 4.29Å; F53-Y57 AromaticContact CE2-CD2 3.26Å; F53-Y57 HydrophobicContact CE2-CD2 3.26Å; F53-Y57 AromaticContact CE2-CE2 3.5Å; F53-Y57 HydrophobicContact CE2-CE2 3.5Å; F53-Y57 VanDerWaalsContact CE2-CE2 3.5Å; F53-Y57 AromaticContact CE2-CG 3.95Å; F53-Y57 HydrophobicContact CE2-CG 3.95Å; F53-Y57 AromaticContact CG-CD2 3.83Å; F53-Y57 HydrophobicContact CG-CD2 3.83Å; F53-Y57 HydrophobicContact CG-CE2 4.4Å; F53-Y57 AromaticContact CZ-CD2 3.81Å; F53-Y57 HydrophobicContact CZ-CD2 3.81Å; F53-Y57 HydrophobicContact CZ-CE2 4.42Å; F53-Y57 HydrophobicContact CZ-CG 4.09Å; F53-Y57 VanDerWaalsContact O-CD2 3.23Å; F53-Y57 WeakPolarHBondContact O-CD2 3.3Å; F53-Y57 PolarHBondContact O-N 3.35Å
58E64.7Low78.9Confident68 Ų6847.2 Ų47.232%0.31822%0.216SC..SBendtrans-9811-172.3-64.9-170-15600114.1R54 A60 N63R54-E58 HydrophobicContact CB-CB 4.43Å; R54-E58 HydrophobicContact CB-CG 4.38Å; R54-E58 HydrophobicContact CG-CG 4.37Å; R54-E58 WeakPolarHBondContact CG-OE1 3.4Å; R54-E58 IonicContact CZ-OE1 3.2Å; R54-E58 IonicContact CZ-OE2 2.81Å; R54-E58 IonicContact NE-OE1 2.63Å; R54-E58 PolarHBondContact NE-OE1 3.33Å; R54-E58 IonicContact NE-OE2 3.74Å; R54-E58 PolarHBondContact NE-OE2 3.46Å; R54-E58 IonicContact NH2-OE1 3.58Å; R54-E58 IonicContact NH2-OE2 2.87Å; R54-E58 PolarHBondContact NH2-OE2 3.09Å; R54-E58 WeakPolarHBondContact O-CB 3.33Å; R54-E58 PolarHBondContact O-N 3.26Å; E58-A60 VanDerWaalsContact C-N 3.34Å; E58-A60 PolarHBondContact O-N 2.98Å; E58-N63 PolarHBondContact O-ND2 3.05Å
59L72.7Confident79.3Confident101 Ų10139.7 Ų39.753%0.52919%0.189SC..  trans52.253.8178.8-54.9173.2000110.8A61 Q62 N63L59-A61 PolarHBondContact O-N 3.5Å; L59-Q62 HydrophobicContact CB-CB 3.83Å; L59-Q62 VanDerWaalsContact CD1-OE1 3.22Å; L59-Q62 WeakPolarHBondContact O-CA 3.46Å; L59-Q62 WeakPolarHBondContact O-CB 3.24Å; L59-Q62 PolarHBondContact O-N 2.92Å; L59-N63 PolarHBondContact O-N 3.29Å
60A80.4Confident79.8Confident4 Ų440.4 Ų40.43%0.03320%0.199CC..Hα-helixtrans-49.5-36.5-174.400000113E58 N63 A64 L78 Y82 L253E58-A60 VanDerWaalsContact C-N 3.34Å; E58-A60 PolarHBondContact O-N 2.98Å; A60-N63 PolarHBondContact O-N 2.86Å; A60-A64 VanDerWaalsContact O-CB 3.26Å; A60-A64 WeakPolarHBondContact O-CB 3.49Å; A60-A64 PolarHBondContact O-N 3.41Å; A60-L78 HydrophobicContact CB-CD2 4.15Å; A60-Y82 HydrophobicContact CB-CE2 4.41Å; A60-L253 WeakPolarHBondContact O-CD2 3.36Å
61A83.3Confident80.4Confident6 Ų641.3 Ų41.35%0.0520%0.203CC..Hα-helixtrans-65.2-41174.700000113.7L59 A64 H65 Y90 I91L59-A61 PolarHBondContact O-N 3.5Å; A61-A64 PolarHBondContact O-N 3.17Å; A61-H65 WeakPolarHBondContact O-CB 3.34Å; A61-H65 PolarHBondContact O-N 3.45Å; A61-Y90 HydrophobicContact CB-CE1 3.71Å; A61-I91 HydrophobicContact CB-CD1 3.54Å
62Q87Confident81.2Confident99 Ų9943.3 Ų43.346%0.46322%0.223SC..Hα-helixtrans-63.9-46.3174.4179.7174.7-2500111L59 A64 H65 E66 Y94L59-Q62 HydrophobicContact CB-CB 3.83Å; L59-Q62 VanDerWaalsContact CD1-OE1 3.22Å; L59-Q62 WeakPolarHBondContact O-CA 3.46Å; L59-Q62 WeakPolarHBondContact O-CB 3.24Å; L59-Q62 PolarHBondContact O-N 2.92Å; Q62-A64 VanDerWaalsContact C-N 3.32Å; Q62-A64 PolarHBondContact O-N 3.26Å; Q62-H65 CarbonylContact O-C 3.5Å; Q62-H65 PolarHBondContact O-N 3.35Å; Q62-E66 PolarHBondContact O-N 3.12Å; Q62-Y94 WeakPolarHBondContact CA-OH 3.48Å
63N88.7Confident82Confident29 Ų2942.8 Ų42.816%0.15522%0.219CC..Hα-helixtrans-64.4-36.3177.8-73.6-23.7000112.2E58 L59 A60 H65 E66 L253E58-N63 PolarHBondContact O-ND2 3.05Å; L59-N63 PolarHBondContact O-N 3.29Å; A60-N63 PolarHBondContact O-N 2.86Å; N63-H65 VanDerWaalsContact C-N 3.33Å; N63-E66 VanDerWaalsContact O-CG 3.31Å; N63-E66 WeakPolarHBondContact O-CG 3.48Å; N63-L253 HydrophobicContact CB-CD2 3.48Å; N63-L253 VanDerWaalsContact CB-CD2 3.48Å; N63-L253 HydrophobicContact CB-CG 4.33Å
64A89.6Confident82.8Confident3 Ų341.9 Ų41.93%0.02522%0.215CC..Hα-helixtrans-71.1-31.417600000112.8A60 A61 Q62 T74 L78 L253A60-A64 VanDerWaalsContact O-CB 3.26Å; A60-A64 WeakPolarHBondContact O-CB 3.49Å; A60-A64 PolarHBondContact O-N 3.41Å; A61-A64 PolarHBondContact O-N 3.17Å; Q62-A64 VanDerWaalsContact C-N 3.32Å; Q62-A64 PolarHBondContact O-N 3.26Å; A64-T74 HydrophobicContact CB-CG2 3.79Å; A64-L78 HydrophobicContact CB-CD1 3.94Å; A64-L78 HydrophobicContact CB-CD2 3.77Å; A64-L78 HydrophobicContact CB-CG 3.63Å; A64-L253 HydrophobicContact CB-CD1 3.73Å; A64-L253 HydrophobicContact CB-CD2 4.27Å
65H92.3Very high83.8Confident5 Ų541.6 Ų41.62%0.02322%0.215CC..Hα-helixtrans-94.51.9-178.6-167.555000114.2A61 Q62 N63 S67 H68 T74 Y94 C101A61-H65 WeakPolarHBondContact O-CB 3.34Å; A61-H65 PolarHBondContact O-N 3.45Å; Q62-H65 CarbonylContact O-C 3.5Å; Q62-H65 PolarHBondContact O-N 3.35Å; N63-H65 VanDerWaalsContact C-N 3.33Å; H65-S67 PolarHBondContact O-N 2.88Å; H65-H68 AromaticContact CE1-ND1 3.97Å; H65-H68 AromaticContact NE2-CE1 3.88Å; H65-H68 AromaticContact NE2-ND1 3.44Å; H65-H68 PolarHBondContact NE2-ND1 2.78Å; H65-H68 PolarHBondContact O-N 2.89Å; H65-T74 HydrophobicContact CB-CG2 4.18Å; H65-Y94 HydrophobicContact CB-CE1 3.97Å; H65-Y94 AromaticContact CD2-CE1 3.87Å; H65-C101 PolarHBondContact CE1-SG 3.07Å; H65-C101 PolarHBondContact NE2-SG 3.47Å; H65-C101 VanDerWaalsContact NE2-SG 3.42Å
66E89.9Confident84.8Confident36 Ų3640.5 Ų40.517%0.16821%0.211CC..THydrogen-bonded Turntrans-57.3-30-171.769.7179.8-172.400114.1Q62 N63 H68 Q223 N227 K252Q62-E66 PolarHBondContact O-N 3.12Å; N63-E66 VanDerWaalsContact O-CG 3.31Å; N63-E66 WeakPolarHBondContact O-CG 3.48Å; E66-H68 PolarHBondContact O-CD2 2.99Å; E66-Q223 HydrophobicContact CG-CG 4.41Å; E66-Q223 PolarHBondContact OE1-NE2 3.39Å; E66-Q223 VanDerWaalsContact OE1-NE2 3.16Å; E66-Q223 PolarHBondContact OE2-NE2 3.33Å; E66-N227 VanDerWaalsContact CG-ND2 3.26Å; E66-N227 WeakPolarHBondContact CG-ND2 3.33Å; E66-N227 PolarHBondContact OE1-ND2 2.95Å; E66-N227 PolarHBondContact OE1-OD1 2.96Å; E66-K252 IonicContact OE2-NZ 3.41Å; E66-K252 PolarHBondContact OE2-NZ 3.35Å
67S89.5Confident85.9Confident3 Ų335.6 Ų35.62%0.02119%0.189CC..THydrogen-bonded Turntrans-96.39.9177.657.20000114.4H65 Q69 N227H65-S67 PolarHBondContact O-N 2.88Å; S67-Q69 PolarHBondContact O-N 3.42Å; S67-Q69 WeakPolarHBondContact OG-CG 3.31Å; S67-Q69 PolarHBondContact OG-NE2 3.22Å; S67-N227 PolarHBondContact OG-ND2 3.23Å
68H91Very high87.1Confident13 Ų1330.5 Ų30.56%0.0617%0.17CC..  trans52.731.4175.7-62.7-88.9000115.5H65 E66 G70 C98 T100 M104 A209 R213H65-H68 AromaticContact CE1-ND1 3.97Å; H65-H68 AromaticContact NE2-CE1 3.88Å; H65-H68 AromaticContact NE2-ND1 3.44Å; H65-H68 PolarHBondContact NE2-ND1 2.78Å; H65-H68 PolarHBondContact O-N 2.89Å; E66-H68 PolarHBondContact O-CD2 2.99Å; H68-G70 PolarHBondContact O-N 2.77Å; H68-C98 VanDerWaalsContact CE1-SG 3.58Å; H68-T100 VanDerWaalsContact CE1-CB 3.49Å; H68-T100 WeakPolarHBondContact CE1-CB 3.39Å; H68-M104 HydrophobicContact CB-CE 3.65Å; H68-A209 HydrophobicContact CB-CB 3.92Å; H68-R213 PolarHBondContact NE2-NH1 2.76Å
69Q88.2Confident88.2Confident23 Ų2333.8 Ų33.811%0.10718%0.179CC..  trans-71.15.7-174.3-79.3-171.774.100115.5S67 R73 T202 L224S67-Q69 PolarHBondContact O-N 3.42Å; S67-Q69 WeakPolarHBondContact OG-CG 3.31Å; S67-Q69 PolarHBondContact OG-NE2 3.22Å; Q69-R73 HydrophobicContact CB-CB 4.08Å; Q69-T202 HydrophobicContact CG-CG2 4.29Å; Q69-L224 HydrophobicContact CG-CD1 3.65Å
70G88.6Confident88.6Confident25 Ų2531.3 Ų31.326%0.25817%0.166SC..  trans84.5172.9-179.400000115.4H68 T74H68-G70 PolarHBondContact O-N 2.77Å; G70-T74 WeakPolarHBondContact O-CB 3.5Å; G70-T74 PolarHBondContact O-N 3.46Å; G70-T74 VanDerWaalsContact O-N 3.1Å; G70-T74 PolarHBondContact O-OG1 3.31Å
71I90.6Very high88.7Confident56 Ų5633.2 Ų33.229%0.28718%0.176SC..Hα-helixtrans-62.4-53-168.7-64.5173.3000112.1R73 T74 K75 E92 I95 K96I71-R73 VanDerWaalsContact C-N 3.32Å; I71-R73 PolarHBondContact O-N 3.47Å; I71-T74 PolarHBondContact O-N 3.14Å; I71-K75 HydrophobicContact CG2-CD 4.07Å; I71-K75 HydrophobicContact CG2-CG 4.36Å; I71-K75 WeakPolarHBondContact O-CG 3.08Å; I71-K75 PolarHBondContact O-N 2.88Å; I71-E92 HydrophobicContact CD1-CG 4.46Å; I71-E92 HydrophobicContact CG2-CG 3.78Å; I71-I95 HydrophobicContact CB-CD1 4.39Å; I71-I95 HydrophobicContact CD1-CG2 4.49Å; I71-I95 HydrophobicContact CG1-CB 3.92Å; I71-I95 HydrophobicContact CG1-CD1 4Å; I71-I95 HydrophobicContact CG1-CG2 3.72Å; I71-K96 HydrophobicContact CD1-CG 4.46Å
72A89.9Confident88.6Confident76 Ų7633.5 Ų33.563%0.62818%0.176SC*.Hα-helixtrans-59.8-42.6-173.600000112.3S76A72-S76 WeakPolarHBondContact O-CB 3.17Å; A72-S76 PolarHBondContact O-N 3.48Å
73R90.9Very high88.1Confident51 Ų5138 Ų3819%0.19219%0.188CC..Hα-helixtrans-71.5-40.4179-70-172.5-178.917911.6112.3Q69 I71 K75 S76 R77 T202 Y228 T231Q69-R73 HydrophobicContact CB-CB 4.08Å; I71-R73 VanDerWaalsContact C-N 3.32Å; I71-R73 PolarHBondContact O-N 3.47Å; R73-K75 VanDerWaalsContact C-N 3.35Å; R73-K75 PolarHBondContact O-N 2.83Å; R73-S76 PolarHBondContact O-N 2.99Å; R73-R77 WeakPolarHBondContact O-CB 3.48Å; R73-R77 PolarHBondContact O-N 2.92Å; R73-T202 PolarHBondContact NH1-OG1 3.33Å; R73-T202 PolarHBondContact NH2-OG1 3.06Å; R73-Y228 VanDerWaalsContact NH1-CE2 3.28Å; R73-T231 HydrophobicContact CB-CG2 4.17Å
74T91.5Very high87.4Confident1 Ų138.8 Ų38.81%0.00619%0.189CC..Hα-helixtrans-61.6-44.2175.9-51.30000111.1A64 H65 G70 I71 R77 L78 I91 I95A64-T74 HydrophobicContact CB-CG2 3.79Å; H65-T74 HydrophobicContact CB-CG2 4.18Å; G70-T74 WeakPolarHBondContact O-CB 3.5Å; G70-T74 PolarHBondContact O-N 3.46Å; G70-T74 VanDerWaalsContact O-N 3.1Å; G70-T74 PolarHBondContact O-OG1 3.31Å; I71-T74 PolarHBondContact O-N 3.14Å; T74-R77 PolarHBondContact O-N 3.29Å; T74-L78 HydrophobicContact CG2-CD1 4.16Å; T74-L78 WeakPolarHBondContact O-CG 3.44Å; T74-L78 PolarHBondContact O-N 3.48Å; T74-L78 VanDerWaalsContact O-N 3.09Å; T74-I91 HydrophobicContact CG2-CG2 3.85Å; T74-I95 HydrophobicContact CG2-CD1 3.93Å; T74-I95 WeakPolarHBondContact OG1-CD1 3.45Å
75K91.8Very high86.4Confident18 Ų1841.3 Ų41.38%0.07821%0.205CC..Hα-helixtrans-60.3-49.3173-71.9-177178.4-169.70111.6I71 R73 R77 L78 R79 D88 I91 E92I71-K75 HydrophobicContact CG2-CD 4.07Å; I71-K75 HydrophobicContact CG2-CG 4.36Å; I71-K75 WeakPolarHBondContact O-CG 3.08Å; I71-K75 PolarHBondContact O-N 2.88Å; R73-K75 VanDerWaalsContact C-N 3.35Å; R73-K75 PolarHBondContact O-N 2.83Å; K75-R77 VanDerWaalsContact C-N 3.3Å; K75-R77 PolarHBondContact O-N 3.39Å; K75-L78 PolarHBondContact O-N 2.96Å; K75-R79 WeakPolarHBondContact O-CB 3.49Å; K75-R79 VanDerWaalsContact O-CG 3.28Å; K75-R79 WeakPolarHBondContact O-CG 3.48Å; K75-R79 PolarHBondContact O-N 3.01Å; K75-D88 HydrophobicContact CD-CB 4.41Å; K75-D88 VanDerWaalsContact CE-O 3.29Å; K75-D88 WeakPolarHBondContact CE-O 3.24Å; K75-D88 IonicContact NZ-OD2 3.31Å; K75-I91 HydrophobicContact CG-CB 4.26Å; K75-I91 HydrophobicContact CG-CG2 3.86Å; K75-E92 IonicContact NZ-OE1 3.01Å; K75-E92 PolarHBondContact NZ-OE1 3.5Å
76S90.9Very high85.7Confident21 Ų2146.8 Ų46.815%0.14723%0.229CC..Hα-helixtrans-55.8-46.2-179.9-164.40000111.7A72 R73 L78 D80 P232A72-S76 WeakPolarHBondContact O-CB 3.17Å; A72-S76 PolarHBondContact O-N 3.48Å; R73-S76 PolarHBondContact O-N 2.99Å; S76-L78 PolarHBondContact O-N 3.47Å; S76-D80 PolarHBondContact O-N 3.07Å; S76-P232 WeakPolarHBondContact CB-O 3.25Å; S76-P232 PolarHBondContact OG-O 2.84Å
77R89.6Confident85.5Confident3 Ų345.5 Ų45.51%0.01122%0.223CC..Hα-helixtrans-64.5-38.5179.6-161.1-179.3178.9-178.3-1.9112.9R73 T74 K75 N227 T231 T251 L253R73-R77 WeakPolarHBondContact O-CB 3.48Å; R73-R77 PolarHBondContact O-N 2.92Å; T74-R77 PolarHBondContact O-N 3.29Å; K75-R77 VanDerWaalsContact C-N 3.3Å; K75-R77 PolarHBondContact O-N 3.39Å; R77-N227 VanDerWaalsContact CZ-OD1 3.28Å; R77-N227 VanDerWaalsContact NH1-CB 3.34Å; R77-N227 PolarHBondContact NH1-ND2 3.28Å; R77-N227 PolarHBondContact NH1-OD1 3.45Å; R77-N227 PolarHBondContact NH2-OD1 2.96Å; R77-T231 HydrophobicContact CB-CG2 4.08Å; R77-T251 PolarHBondContact NH2-OG1 3.24Å; R77-T251 VanDerWaalsContact NH2-OG1 3.14Å; R77-L253 VanDerWaalsContact CD-CD1 3.48Å; R77-L253 HydrophobicContact CG-CD1 3.63Å; R77-L253 VanDerWaalsContact NE-CD1 3.26Å
78L88.5Confident85.3Confident0 Ų048 Ų480%024%0.237CC..Hα-helixtrans-75.1-46.2179.2-75.8166.9000112.2A60 A64 T74 K75 S76 D80 L81 Y82 W84 L87 I91A60-L78 HydrophobicContact CB-CD2 4.15Å; A64-L78 HydrophobicContact CB-CD1 3.94Å; A64-L78 HydrophobicContact CB-CD2 3.77Å; A64-L78 HydrophobicContact CB-CG 3.63Å; T74-L78 HydrophobicContact CG2-CD1 4.16Å; T74-L78 WeakPolarHBondContact O-CG 3.44Å; T74-L78 PolarHBondContact O-N 3.48Å; T74-L78 VanDerWaalsContact O-N 3.09Å; K75-L78 PolarHBondContact O-N 2.96Å; S76-L78 PolarHBondContact O-N 3.47Å; L78-D80 PolarHBondContact O-N 3.2Å; L78-D80 VanDerWaalsContact O-N 3.09Å; L78-L81 PolarHBondContact O-N 3.03Å; L78-Y82 HydrophobicContact CD2-CD2 3.87Å; L78-Y82 HydrophobicContact CD2-CE2 4.47Å; L78-Y82 WeakPolarHBondContact O-CA 3.35Å; L78-Y82 PolarHBondContact O-N 3.43Å; L78-Y82 VanDerWaalsContact O-O 3.06Å; L78-W84 HydrophobicContact CD1-CH2 3.97Å; L78-W84 HydrophobicContact CD2-CH2 4.11Å; L78-W84 HydrophobicContact CD2-CZ3 4.39Å; L78-W84 HydrophobicContact CG-CH2 4.45Å; L78-L87 HydrophobicContact CB-CD1 4.37Å; L78-L87 HydrophobicContact CB-CD2 4.43Å; L78-I91 HydrophobicContact CD1-CD1 3.23Å; L78-I91 HydrophobicContact CD1-CG1 3.58Å
79R87Confident85Confident137 Ų13750.1 Ų50.152%0.51726%0.256SS..Hα-helixtrans-60-22.7179.9-70.5178.7-163.2156.8-8.9113.1K75 L81 L87 D88K75-R79 WeakPolarHBondContact O-CB 3.49Å; K75-R79 VanDerWaalsContact O-CG 3.28Å; K75-R79 WeakPolarHBondContact O-CG 3.48Å; K75-R79 PolarHBondContact O-N 3.01Å; R79-L81 VanDerWaalsContact C-N 3.31Å; R79-L87 HydrophobicContact CG-CD2 4.11Å; R79-D88 IonicContact CZ-OD1 3.93Å; R79-D88 VanDerWaalsContact CZ-OD1 3.29Å; R79-D88 IonicContact CZ-OD2 3.58Å; R79-D88 IonicContact NE-OD1 2.78Å; R79-D88 PolarHBondContact NE-OD1 2.96Å; R79-D88 IonicContact NE-OD2 2.81Å; R79-D88 IonicContact NH2-OD1 3.7Å; R79-D88 PolarHBondContact NH2-OD1 3.26Å; R79-D88 IonicContact NH2-OD2 3.62Å; R79-D88 PolarHBondContact NH2-OD2 3.14Å
80D82.3Confident84.9Confident49 Ų4954.4 Ų54.426%0.26227%0.272SS..THydrogen-bonded Turntrans-74.1-22.7177.6-157.357.3000113.8S76 L78 P232 K260S76-D80 PolarHBondContact O-N 3.07Å; L78-D80 PolarHBondContact O-N 3.2Å; L78-D80 VanDerWaalsContact O-N 3.09Å; D80-P232 HydrophobicContact CB-CG 3.78Å; D80-P232 VanDerWaalsContact CG-CG 3.48Å; D80-K260 IonicContact OD1-NZ 3.07Å; D80-K260 PolarHBondContact OD1-NZ 3.24Å; D80-K260 IonicContact OD2-NZ 2.63Å; D80-K260 PolarHBondContact OD2-NZ 3.06Å
81L80.8Confident85Confident44 Ų4453.2 Ų53.223%0.2326%0.26CS..THydrogen-bonded Turntrans-124.3-25.5-169.9-61.6174.3000112.9L78 R79 L253L78-L81 PolarHBondContact O-N 3.03Å; R79-L81 VanDerWaalsContact C-N 3.31Å; L81-L253 HydrophobicContact CD1-CB 3.47Å; L81-L253 VanDerWaalsContact CD1-CB 3.47Å; L81-L253 HydrophobicContact CD1-CD1 4.32Å
82Y81Confident85Confident12 Ų1253.6 Ų53.65%0.04726%0.26CS..  trans-143.2151-168.1-59.1-71.7000110.8P51 R54 I55 A60 L78 W84 L253P51-Y82 HydrophobicContact CB-CD1 4.11Å; P51-Y82 HydrophobicContact CB-CE1 4.09Å; P51-Y82 WeakPolarHBondContact O-CE1 3.5Å; R54-Y82 HydrophobicContact CB-CE1 4.29Å; R54-Y82 PolarHBondContact NH1-OH 2.96Å; I55-Y82 HydrophobicContact CD1-CD1 3.73Å; I55-Y82 HydrophobicContact CD1-CG 4.23Å; I55-Y82 HydrophobicContact CG1-CD1 3.5Å; I55-Y82 HydrophobicContact CG1-CE1 4.06Å; I55-Y82 HydrophobicContact CG1-CG 4Å; A60-Y82 HydrophobicContact CB-CE2 4.41Å; L78-Y82 HydrophobicContact CD2-CD2 3.87Å; L78-Y82 HydrophobicContact CD2-CE2 4.47Å; L78-Y82 WeakPolarHBondContact O-CA 3.35Å; L78-Y82 PolarHBondContact O-N 3.43Å; L78-Y82 VanDerWaalsContact O-O 3.06Å; Y82-W84 HydrophobicContact CG-CZ3 4.48Å; Y82-L253 HydrophobicContact CE2-CB 4.3Å; Y82-L253 HydrophobicContact CE2-CD2 4.38Å; Y82-L253 WeakPolarHBondContact CE2-O 3.5Å; Y82-L253 VanDerWaalsContact CZ-O 3.3Å; Y82-L253 PolarHBondContact OH-O 3.21Å
83W77.1Confident85Confident193 Ų19352.9 Ų52.973%0.73125%0.251SS*.  trans-140.8136.5169.818092.1000109.8P85W83-P85 HydrophobicContact CH2-CG 4.22Å; W83-P85 HydrophobicContact CZ3-CG 4.5Å
84W74.9Confident85Confident45 Ų4554 Ų5417%0.1726%0.255CS..  trans-152.2157.216764.795.6000110.4I55 L78 Y82 K86 L87 Y90 I91I55-W84 HydrophobicContact CD1-CE3 3.79Å; I55-W84 HydrophobicContact CD1-CZ3 4.28Å; I55-W84 HydrophobicContact CG1-CE3 4.11Å; I55-W84 HydrophobicContact CG1-CZ3 4.15Å; I55-W84 HydrophobicContact CG2-CD2 4.42Å; I55-W84 HydrophobicContact CG2-CE3 4.18Å; I55-W84 HydrophobicContact CG2-CZ3 4.45Å; L78-W84 HydrophobicContact CD1-CH2 3.97Å; L78-W84 HydrophobicContact CD2-CH2 4.11Å; L78-W84 HydrophobicContact CD2-CZ3 4.39Å; L78-W84 HydrophobicContact CG-CH2 4.45Å; Y82-W84 HydrophobicContact CG-CZ3 4.48Å; W84-K86 PolarHBondContact O-N 3.12Å; W84-L87 HydrophobicContact CD2-CB 3.86Å; W84-L87 HydrophobicContact CD2-CD1 3.92Å; W84-L87 HydrophobicContact CD2-CG 3.94Å; W84-L87 HydrophobicContact CE3-CB 4.4Å; W84-L87 HydrophobicContact CE3-CD1 3.56Å; W84-L87 HydrophobicContact CE3-CG 4.04Å; W84-L87 HydrophobicContact CG-CB 4.16Å; W84-L87 HydrophobicContact CH2-CD1 3.86Å; W84-L87 HydrophobicContact CH2-CG 3.77Å; W84-L87 HydrophobicContact CZ2-CB 4.14Å; W84-L87 HydrophobicContact CZ2-CD1 4.18Å; W84-L87 HydrophobicContact CZ2-CG 3.64Å; W84-L87 HydrophobicContact CZ3-CD1 3.54Å; W84-L87 HydrophobicContact CZ3-CG 3.96Å; W84-L87 VanDerWaalsContact O-CB 3.31Å; W84-L87 WeakPolarHBondContact O-CB 3.3Å; W84-L87 PolarHBondContact O-N 3.22Å; W84-L87 VanDerWaalsContact O-N 3.13Å; W84-Y90 AromaticContact CZ2-CD1 3.95Å; W84-Y90 HydrophobicContact CZ2-CD1 3.95Å; W84-Y90 HydrophobicContact CZ2-CE1 4.42Å; W84-I91 HydrophobicContact CZ2-CD1 4.3Å; W84-I91 HydrophobicContact CZ2-CG1 4.41Å
85P68.5Low85Confident56 Ų5654.4 Ų54.436%0.36426%0.257SS..THydrogen-bonded Turntrans-53.8136.2176-28.537.2000112.4E8 W83 L87E8-P85 WeakPolarHBondContact OE2-CB 3.4Å; W83-P85 HydrophobicContact CH2-CG 4.22Å; W83-P85 HydrophobicContact CZ3-CG 4.5Å; P85-L87 PolarHBondContact O-N 2.94Å; P85-L87 VanDerWaalsContact O-N 3.1Å
86K78Confident85Confident121 Ų12159.1 Ų59.153%0.52628%0.278SS..THydrogen-bonded Turntrans55.123.3-177.2-62.8179.7-178.5156.60115.3E8 W84 D88 A89 Y90E8-K86 HydrophobicContact CG-CD 4.38Å; E8-K86 WeakPolarHBondContact OE1-CD 3.27Å; E8-K86 WeakPolarHBondContact OE1-CE 3.4Å; E8-K86 IonicContact OE1-NZ 2.83Å; E8-K86 PolarHBondContact OE1-NZ 3.04Å; W84-K86 PolarHBondContact O-N 3.12Å; K86-D88 PolarHBondContact O-N 3.31Å; K86-D88 VanDerWaalsContact O-N 3.1Å; K86-A89 HydrophobicContact CB-CB 4.27Å; K86-A89 PolarHBondContact O-N 3.31Å; K86-Y90 WeakPolarHBondContact O-CB 3.38Å; K86-Y90 PolarHBondContact O-N 2.74Å
87L84Confident85Confident8 Ų862.5 Ų62.54%0.04229%0.294CS..Hα-helixtrans-42.9-49.2172.7179.6162.1000111.3L78 R79 W84 P85 Y90 I91L78-L87 HydrophobicContact CB-CD1 4.37Å; L78-L87 HydrophobicContact CB-CD2 4.43Å; R79-L87 HydrophobicContact CG-CD2 4.11Å; W84-L87 HydrophobicContact CD2-CB 3.86Å; W84-L87 HydrophobicContact CD2-CD1 3.92Å; W84-L87 HydrophobicContact CD2-CG 3.94Å; W84-L87 HydrophobicContact CE3-CB 4.4Å; W84-L87 HydrophobicContact CE3-CD1 3.56Å; W84-L87 HydrophobicContact CE3-CG 4.04Å; W84-L87 HydrophobicContact CG-CB 4.16Å; W84-L87 HydrophobicContact CH2-CD1 3.86Å; W84-L87 HydrophobicContact CH2-CG 3.77Å; W84-L87 HydrophobicContact CZ2-CB 4.14Å; W84-L87 HydrophobicContact CZ2-CD1 4.18Å; W84-L87 HydrophobicContact CZ2-CG 3.64Å; W84-L87 HydrophobicContact CZ3-CD1 3.54Å; W84-L87 HydrophobicContact CZ3-CG 3.96Å; W84-L87 VanDerWaalsContact O-CB 3.31Å; W84-L87 WeakPolarHBondContact O-CB 3.3Å; W84-L87 PolarHBondContact O-N 3.22Å; W84-L87 VanDerWaalsContact O-N 3.13Å; P85-L87 PolarHBondContact O-N 2.94Å; P85-L87 VanDerWaalsContact O-N 3.1Å; L87-Y90 PolarHBondContact O-N 3.09Å; L87-I91 HydrophobicContact CD2-CG1 4.14Å; L87-I91 WeakPolarHBondContact O-CB 3.41Å; L87-I91 WeakPolarHBondContact O-CG1 3.43Å; L87-I91 PolarHBondContact O-N 3.29Å
88D85.7Confident85.2Confident57 Ų5763.3 Ų63.331%0.30530%0.3SS..Hα-helixtrans-61-48.8-179.8-83.26.3000114K75 R79 K86 Y90 I91 E92K75-D88 HydrophobicContact CD-CB 4.41Å; K75-D88 VanDerWaalsContact CE-O 3.29Å; K75-D88 WeakPolarHBondContact CE-O 3.24Å; K75-D88 IonicContact NZ-OD2 3.31Å; R79-D88 IonicContact CZ-OD1 3.93Å; R79-D88 VanDerWaalsContact CZ-OD1 3.29Å; R79-D88 IonicContact CZ-OD2 3.58Å; R79-D88 IonicContact NE-OD1 2.78Å; R79-D88 PolarHBondContact NE-OD1 2.96Å; R79-D88 IonicContact NE-OD2 2.81Å; R79-D88 IonicContact NH2-OD1 3.7Å; R79-D88 PolarHBondContact NH2-OD1 3.26Å; R79-D88 IonicContact NH2-OD2 3.62Å; R79-D88 PolarHBondContact NH2-OD2 3.14Å; K86-D88 PolarHBondContact O-N 3.31Å; K86-D88 VanDerWaalsContact O-N 3.1Å; D88-Y90 VanDerWaalsContact C-N 3.35Å; D88-I91 PolarHBondContact O-N 2.95Å; D88-E92 WeakPolarHBondContact O-CB 3.38Å; D88-E92 WeakPolarHBondContact O-CG 3.08Å; D88-E92 PolarHBondContact O-N 3.18Å
89A85.6Confident85.3Confident56 Ų5666.8 Ų66.846%0.46333%0.325SS..Hα-helixtrans-67.8-38.6-178.700000111.1K86 E92 S93K86-A89 HydrophobicContact CB-CB 4.27Å; K86-A89 PolarHBondContact O-N 3.31Å; A89-E92 PolarHBondContact O-N 3.35Å; A89-S93 WeakPolarHBondContact O-CB 3.43Å; A89-S93 PolarHBondContact O-N 3.44Å
90Y86.2Confident85.5Confident114 Ų11460.6 Ų60.645%0.44730%0.302SS..Hα-helixtrans-61.6-49.1174.1174.9-98.7000111.4A61 W84 K86 L87 D88 E92 S93 Y94A61-Y90 HydrophobicContact CB-CE1 3.71Å; W84-Y90 AromaticContact CZ2-CD1 3.95Å; W84-Y90 HydrophobicContact CZ2-CD1 3.95Å; W84-Y90 HydrophobicContact CZ2-CE1 4.42Å; K86-Y90 WeakPolarHBondContact O-CB 3.38Å; K86-Y90 PolarHBondContact O-N 2.74Å; L87-Y90 PolarHBondContact O-N 3.09Å; D88-Y90 VanDerWaalsContact C-N 3.35Å; Y90-E92 PolarHBondContact O-N 2.84Å; Y90-S93 PolarHBondContact O-N 3.47Å; Y90-Y94 VanDerWaalsContact O-CB 3.27Å; Y90-Y94 WeakPolarHBondContact O-CB 3.26Å; Y90-Y94 PolarHBondContact O-N 3.27Å
91I89.4Confident85.8Confident0 Ų060 Ų600%030%0.301CS..Hα-helixtrans-66.6-37.6-180-65.3-58.6000111.9A61 T74 K75 L78 W84 L87 D88 I95A61-I91 HydrophobicContact CB-CD1 3.54Å; T74-I91 HydrophobicContact CG2-CG2 3.85Å; K75-I91 HydrophobicContact CG-CB 4.26Å; K75-I91 HydrophobicContact CG-CG2 3.86Å; L78-I91 HydrophobicContact CD1-CD1 3.23Å; L78-I91 HydrophobicContact CD1-CG1 3.58Å; W84-I91 HydrophobicContact CZ2-CD1 4.3Å; W84-I91 HydrophobicContact CZ2-CG1 4.41Å; L87-I91 HydrophobicContact CD2-CG1 4.14Å; L87-I91 WeakPolarHBondContact O-CB 3.41Å; L87-I91 WeakPolarHBondContact O-CG1 3.43Å; L87-I91 PolarHBondContact O-N 3.29Å; D88-I91 PolarHBondContact O-N 2.95Å; I91-I95 HydrophobicContact CG2-CD1 3.72Å; I91-I95 HydrophobicContact CG2-CG1 4.43Å; I91-I95 WeakPolarHBondContact O-CB 3.47Å; I91-I95 WeakPolarHBondContact O-CG1 3.31Å; I91-I95 PolarHBondContact O-N 2.99Å
92E91.9Very high86.2Confident64 Ų6465.5 Ų65.530%0.29932%0.319SS..Hα-helixtrans-59.9-50.5171.2-80.5-173.8-147.200112.3I71 K75 D88 A89 Y90 I95 K96I71-E92 HydrophobicContact CD1-CG 4.46Å; I71-E92 HydrophobicContact CG2-CG 3.78Å; K75-E92 IonicContact NZ-OE1 3.01Å; K75-E92 PolarHBondContact NZ-OE1 3.5Å; D88-E92 WeakPolarHBondContact O-CB 3.38Å; D88-E92 WeakPolarHBondContact O-CG 3.08Å; D88-E92 PolarHBondContact O-N 3.18Å; A89-E92 PolarHBondContact O-N 3.35Å; Y90-E92 PolarHBondContact O-N 2.84Å; E92-I95 PolarHBondContact O-N 3.2Å; E92-K96 WeakPolarHBondContact O-CB 3.1Å; E92-K96 WeakPolarHBondContact O-CD 2.98Å; E92-K96 WeakPolarHBondContact O-CG 3.41Å; E92-K96 PolarHBondContact O-N 3.37Å; E92-K96 IonicContact OE2-NZ 3.01Å; E92-K96 PolarHBondContact OE2-NZ 3.48Å
93S90.5Very high86.4Confident61 Ų6170.4 Ų70.443%0.42734%0.342SS..Hα-helixtrans-60.7-46.6178.9-176.20000111.1A89 Y90 I95 K96 N97A89-S93 WeakPolarHBondContact O-CB 3.43Å; A89-S93 PolarHBondContact O-N 3.44Å; Y90-S93 PolarHBondContact O-N 3.47Å; S93-I95 PolarHBondContact O-N 3.36Å; S93-K96 PolarHBondContact O-N 2.84Å; S93-N97 VanDerWaalsContact O-CB 3.32Å; S93-N97 WeakPolarHBondContact O-CB 3.25Å; S93-N97 VanDerWaalsContact O-CG 3.32Å; S93-N97 PolarHBondContact O-N 3.47Å; S93-N97 PolarHBondContact O-ND2 2.99Å; S93-N97 PolarHBondContact OG-ND2 3.46Å
94Y90.3Very high86.7Confident73 Ų7362.7 Ų62.729%0.28632%0.315SS..Hα-helixtrans-55.4-50.1178.5-179.3-95.1000111.9Q62 H65 Y90 N97 C98Q62-Y94 WeakPolarHBondContact CA-OH 3.48Å; H65-Y94 HydrophobicContact CB-CE1 3.97Å; H65-Y94 AromaticContact CD2-CE1 3.87Å; Y90-Y94 VanDerWaalsContact O-CB 3.27Å; Y90-Y94 WeakPolarHBondContact O-CB 3.26Å; Y90-Y94 PolarHBondContact O-N 3.27Å; Y94-N97 CarbonylContact O-C 3.53Å; Y94-N97 PolarHBondContact O-N 2.85Å; Y94-C98 PolarHBondContact O-N 3.2Å; Y94-C98 VanDerWaalsContact O-N 3.13Å
95I91.4Very high86.4Confident10 Ų1066 Ų665%0.05134%0.336CS..Hα-helixtrans-75.2-38.2-177.9-62.5172.4000111.6I71 T74 I91 E92 S93 N97 C98I71-I95 HydrophobicContact CB-CD1 4.39Å; I71-I95 HydrophobicContact CD1-CG2 4.49Å; I71-I95 HydrophobicContact CG1-CB 3.92Å; I71-I95 HydrophobicContact CG1-CD1 4Å; I71-I95 HydrophobicContact CG1-CG2 3.72Å; T74-I95 HydrophobicContact CG2-CD1 3.93Å; T74-I95 WeakPolarHBondContact OG1-CD1 3.45Å; I91-I95 HydrophobicContact CG2-CD1 3.72Å; I91-I95 HydrophobicContact CG2-CG1 4.43Å; I91-I95 WeakPolarHBondContact O-CB 3.47Å; I91-I95 WeakPolarHBondContact O-CG1 3.31Å; I91-I95 PolarHBondContact O-N 2.99Å; E92-I95 PolarHBondContact O-N 3.2Å; S93-I95 PolarHBondContact O-N 3.36Å; I95-N97 PolarHBondContact O-N 3.33Å; I95-C98 VanDerWaalsContact O-CB 3.28Å; I95-C98 WeakPolarHBondContact O-CB 3.47Å; I95-C98 PolarHBondContact O-N 3.3Å
96K91.1Very high86.4Confident117 Ų11772.9 Ų72.951%0.50936%0.36SS..Hα-helixtrans-59.2-26.6172.6-77.5169175.6164.40111.6I71 E92 S93 R102I71-K96 HydrophobicContact CD1-CG 4.46Å; E92-K96 WeakPolarHBondContact O-CB 3.1Å; E92-K96 WeakPolarHBondContact O-CD 2.98Å; E92-K96 WeakPolarHBondContact O-CG 3.41Å; E92-K96 PolarHBondContact O-N 3.37Å; E92-K96 IonicContact OE2-NZ 3.01Å; E92-K96 PolarHBondContact OE2-NZ 3.48Å; S93-K96 PolarHBondContact O-N 2.84Å; K96-R102 PolarHBondContact O-NE 3.04Å; K96-R102 PolarHBondContact O-NH2 3.1Å
97N92Very high85.6Confident92 Ų9270.1 Ų70.149%0.49235%0.35SS..THydrogen-bonded Turntrans-94-2.4175.5-69-46.9000114.6S93 Y94 I95 S99 R102S93-N97 VanDerWaalsContact O-CB 3.32Å; S93-N97 WeakPolarHBondContact O-CB 3.25Å; S93-N97 VanDerWaalsContact O-CG 3.32Å; S93-N97 PolarHBondContact O-N 3.47Å; S93-N97 PolarHBondContact O-ND2 2.99Å; S93-N97 PolarHBondContact OG-ND2 3.46Å; Y94-N97 CarbonylContact O-C 3.53Å; Y94-N97 PolarHBondContact O-N 2.85Å; I95-N97 PolarHBondContact O-N 3.33Å; N97-S99 PolarHBondContact O-N 3.27Å; N97-R102 PolarHBondContact OD1-NH2 2.84Å
98C92.5Very high83.9Confident20 Ų2075.2 Ų75.214%0.13538%0.382CS..  trans-70.3118.4177.6-177.30000110.9H68 Y94 I95 T100 C101 R102H68-C98 VanDerWaalsContact CE1-SG 3.58Å; Y94-C98 PolarHBondContact O-N 3.2Å; Y94-C98 VanDerWaalsContact O-N 3.13Å; I95-C98 VanDerWaalsContact O-CB 3.28Å; I95-C98 WeakPolarHBondContact O-CB 3.47Å; I95-C98 PolarHBondContact O-N 3.3Å; C98-T100 VanDerWaalsContact C-N 3.28Å; C98-T100 PolarHBondContact O-N 3.42Å; C98-C101 HydrophobicContact CB-CB 4.05Å; C98-C101 PolarHBondContact O-N 3.13Å; C98-R102 WeakPolarHBondContact O-CG 3.4Å; C98-R102 PolarHBondContact O-N 2.69Å
99S91.4Very high82.4Confident74 Ų7479 Ų7952%0.51740%0.399SS..Hα-helixtrans-60.3-37.1179.658.70000112.5N97 R102 Q103N97-S99 PolarHBondContact O-N 3.27Å; S99-R102 PolarHBondContact O-N 2.71Å; S99-Q103 WeakPolarHBondContact O-CB 3.42Å; S99-Q103 WeakPolarHBondContact O-CG 3.28Å; S99-Q103 PolarHBondContact O-N 3.37Å; S99-Q103 VanDerWaalsContact O-N 3.12Å; S99-Q103 PolarHBondContact O-NE2 3.36Å
100T90.3Very high80.6Confident7 Ų781.9 Ų81.94%0.04341%0.406CS..Hα-helixtrans-64.2-50.1176.3-49.60000111H68 C98 R102 Q103 M104 A209 I212 R213H68-T100 VanDerWaalsContact CE1-CB 3.49Å; H68-T100 WeakPolarHBondContact CE1-CB 3.39Å; C98-T100 VanDerWaalsContact C-N 3.28Å; C98-T100 PolarHBondContact O-N 3.42Å; T100-R102 VanDerWaalsContact C-N 3.28Å; T100-R102 PolarHBondContact O-N 3.22Å; T100-Q103 PolarHBondContact O-N 3.14Å; T100-M104 HydrophobicContact CG2-CE 4.09Å; T100-M104 WeakPolarHBondContact O-CG 3.48Å; T100-M104 PolarHBondContact O-N 2.85Å; T100-A209 HydrophobicContact CG2-CB 3.94Å; T100-I212 HydrophobicContact CG2-CB 4.34Å; T100-I212 HydrophobicContact CG2-CG2 4.21Å; T100-R213 HydrophobicContact CG2-CG 3.95Å
101C89.9Confident78.7Confident35 Ų3585.7 Ų85.724%0.23643%0.425CS..Hα-helixtrans-65-29.8178.5-68.80000113.3H65 C98H65-C101 PolarHBondContact CE1-SG 3.07Å; H65-C101 PolarHBondContact NE2-SG 3.47Å; H65-C101 VanDerWaalsContact NE2-SG 3.42Å; C98-C101 HydrophobicContact CB-CB 4.05Å; C98-C101 PolarHBondContact O-N 3.13Å
102R88Confident76.8Confident160 Ų16091.3 Ų91.360%0.60445%0.451SS*.Hα-helixtrans-70.5-34.1174.8-75.2179.3177.6170-2.9113.2K96 N97 C98 S99 T100K96-R102 PolarHBondContact O-NE 3.04Å; K96-R102 PolarHBondContact O-NH2 3.1Å; N97-R102 PolarHBondContact OD1-NH2 2.84Å; C98-R102 WeakPolarHBondContact O-CG 3.4Å; C98-R102 PolarHBondContact O-N 2.69Å; S99-R102 PolarHBondContact O-N 2.71Å; T100-R102 VanDerWaalsContact C-N 3.28Å; T100-R102 PolarHBondContact O-N 3.22Å
103Q86.1Confident75.1Confident116 Ų11690.5 Ų90.554%0.54246%0.456SS..Hα-helixtrans-82.9-11.4-179.9-74.6175.966.200113.4S99 T100 D105 I212S99-Q103 WeakPolarHBondContact O-CB 3.42Å; S99-Q103 WeakPolarHBondContact O-CG 3.28Å; S99-Q103 PolarHBondContact O-N 3.37Å; S99-Q103 VanDerWaalsContact O-N 3.12Å; S99-Q103 PolarHBondContact O-NE2 3.36Å; T100-Q103 PolarHBondContact O-N 3.14Å; Q103-D105 PolarHBondContact O-N 2.92Å; Q103-I212 HydrophobicContact CB-CD1 3.9Å; Q103-I212 HydrophobicContact CB-CG2 4.3Å
104M82.2Confident73.5Confident30 Ų3091.1 Ų91.115%0.14846%0.458CS..SBendtrans-66.9131.5176.2-69.6-164.3-167.500110.8H68 T100 K106 D205 Q208 A209 I212H68-M104 HydrophobicContact CB-CE 3.65Å; T100-M104 HydrophobicContact CG2-CE 4.09Å; T100-M104 WeakPolarHBondContact O-CG 3.48Å; T100-M104 PolarHBondContact O-N 2.85Å; M104-K106 PolarHBondContact O-N 3.46Å; M104-D205 WeakPolarHBondContact CE-O 3.28Å; M104-D205 HydrophobicContact SD-CB 4.24Å; M104-Q208 HydrophobicContact CG-CG 4.45Å; M104-A209 HydrophobicContact CE-CB 3.17Å; M104-I212 HydrophobicContact CG-CD1 4.05Å
105D70.3Confident72.4Confident116 Ų11690 Ų9062%0.6246%0.457SS*.  trans-64.9135.4169-61.6-46.6000109.1Q103 I107 Q208Q103-D105 PolarHBondContact O-N 2.92Å; D105-I107 PolarHBondContact O-N 3.43Å; D105-Q208 PolarHBondContact OD2-NE2 3.39Å
106K68.2Low71.1Confident200 Ų20094.7 Ų94.787%0.8748%0.479SS*.  trans-69.9106.4171.1-66.8179.3-176.8173.30107.7M104 V108M104-K106 PolarHBondContact O-N 3.46Å; K106-V108 PolarHBondContact O-N 3.14Å; K106-V108 VanDerWaalsContact O-N 3.16Å
107I60.3Low70Confident63 Ų6392.4 Ų92.432%0.32348%0.476SS..  trans-57.5122.5173.6-59.3-174.3000108.3D105 M109 R201 K204 D205D105-I107 PolarHBondContact O-N 3.43Å; I107-M109 PolarHBondContact O-N 2.99Å; I107-R201 HydrophobicContact CD1-CG 4.24Å; I107-K204 HydrophobicContact CD1-CB 3.61Å; I107-K204 HydrophobicContact CD1-CD 4.35Å; I107-D205 WeakPolarHBondContact CD1-OD1 3.41Å
108V49.2Very low69Low115 Ų11589.4 Ų89.470%0.69746%0.46SS*.  trans-53.1125.8179.4177.70000109.2K106 L110K106-V108 PolarHBondContact O-N 3.14Å; K106-V108 VanDerWaalsContact O-N 3.16Å; V108-L110 PolarHBondContact O-N 3.3Å; V108-L110 VanDerWaalsContact O-N 3.15Å
109M53.5Low67.9Low135 Ų13592.5 Ų92.567%0.66548%0.479SS*.  trans-63.7113.7171.7-71.3-81.7-132.900108.3I107I107-M109 PolarHBondContact O-N 2.99Å
110L48.6Very low67.2Low117 Ų11792.3 Ų92.361%0.61347%0.469SS*.  trans-80.7156.2174.9-69.6169.4000111.1V108V108-L110 PolarHBondContact O-N 3.3Å; V108-L110 VanDerWaalsContact O-N 3.15Å
111F45.5Very low66.8Low195 Ų19594 Ų9486%0.85548%0.481SS*.  trans-44.5141.5-171.7-60.7-88.3000114.3
112H50.7Low66.4Low117 Ų11795.8 Ų95.854%0.54249%0.493SS..  trans-105.9118.3-179.6-61.3-59000111.6R286H112-R286 VanDerWaalsContact CB-NH1 3.26Å; H112-R286 PolarHBondContact CD2-NH2 3.42Å; H112-R286 VanDerWaalsContact CG-NH2 3.28Å
113A54.3Low66.3Low48 Ų4891.7 Ų91.740%0.39749%0.489SS..  trans-69.7161.7161.900000111.1P190A113-P190 HydrophobicContact CB-CB 3.64Å; A113-P190 HydrophobicContact CB-CG 4.05Å
114P58.5Low66.4Low73 Ų7388.9 Ų88.947%0.47449%0.486SS..  trans-53.2142.7169.5-23.533.7000111.6Q191P114-Q191 PolarHBondContact O-NE2 3.47Å
115L65.9Low66.8Low51 Ų5189.8 Ų89.827%0.26749%0.488SS..  trans-94.9104.6-179.8-61.6175.9000108.9Q191 V278 S279L115-Q191 HydrophobicContact CD2-CG 4.17Å; L115-V278 HydrophobicContact CD1-CG1 3.46Å; L115-V278 VanDerWaalsContact CD1-CG1 3.46Å; L115-S279 PolarHBondContact O-OG 3.2Å
116Q65.6Low67.7Low107 Ų10785.7 Ų85.750%0.547%0.466SS..PPolyproline II helixtrans-87.8142.1163.3-65.5-176.9-27.800109.5L118 Y188 Q191Q116-L118 PolarHBondContact O-N 3.28Å; Q116-Y188 PolarHBondContact OE1-O 2.73Å; Q116-Q191 WeakPolarHBondContact O-CG 3.49Å; Q116-Q191 PolarHBondContact O-NE2 2.85Å; Q116-Q191 VanDerWaalsContact O-NE2 3.16Å; Q116-Q191 PolarHBondContact O-OE1 3.1Å; Q116-Q191 VanDerWaalsContact O-OE1 3.07Å
117P67Low68.6Low69 Ų6978.7 Ų78.745%0.44844%0.435SS..PPolyproline II helixtrans-66.4120.5172.726.2-31.7000110Q275P117-Q275 HydrophobicContact CB-CB 4.28Å
118L71.1Confident69.9Low30 Ų3077.2 Ų77.216%0.15743%0.428CS..PPolyproline II helixtrans-78.7122169.9179.174.9000108.3Q116 F120 Y189 Q191 A192 Q275Q116-L118 PolarHBondContact O-N 3.28Å; L118-F120 PolarHBondContact O-N 3.12Å; L118-Y189 HydrophobicContact CD1-CD1 3.16Å; L118-Y189 HydrophobicContact CD1-CE1 3.53Å; L118-Y189 HydrophobicContact CD1-CG 4.15Å; L118-Q191 HydrophobicContact CB-CB 4.38Å; L118-A192 HydrophobicContact CD2-CB 4.03Å; L118-Q275 PolarHBondContact O-NE2 3.03Å; L118-Q275 PolarHBondContact O-OE1 3.05Å
119P70.4Confident71.7Confident84 Ų8473.5 Ų73.555%0.54541%0.413SS..PPolyproline II helixtrans-57.7134.7176.222.5-32.4000110.3
120F76.1Confident73.2Confident70 Ų7067.6 Ų67.631%0.30739%0.385SS..PPolyproline II helixtrans-63.7132177.4-161.7-98.6000109.2L118 I267 R268 V271L118-F120 PolarHBondContact O-N 3.12Å; F120-I267 HydrophobicContact CZ-CG2 4.34Å; F120-R268 HydrophobicContact CD1-CG 3.78Å; F120-R268 HydrophobicContact CE1-CG 4.09Å; F120-R268 HydrophobicContact CG-CG 4.39Å; F120-V271 HydrophobicContact CD2-CB 4.2Å; F120-V271 HydrophobicContact CD2-CG1 3.76Å; F120-V271 HydrophobicContact CD2-CG2 4.3Å; F120-V271 HydrophobicContact CE2-CB 4.41Å; F120-V271 HydrophobicContact CE2-CG1 4.21Å; F120-V271 HydrophobicContact CE2-CG2 4Å
121P81.4Confident74.7Confident44 Ų4464.9 Ų64.929%0.28637%0.371SS..PPolyproline II helixtrans-58.8152.5-177.824.7-33.9000111.3S123 D126 K127 R268P121-S123 VanDerWaalsContact C-N 3.3Å; P121-S123 PolarHBondContact O-N 3.22Å; P121-D126 HydrophobicContact CB-CB 4.22Å; P121-K127 HydrophobicContact CB-CB 4.49Å; P121-R268 PolarHBondContact O-NH1 2.91Å; P121-R268 PolarHBondContact O-NH2 2.93Å
122S81.8Confident75.7Confident72 Ų7257.6 Ų57.650%0.50334%0.342SS..SBendtrans-66.4-37.5-176.268.70000111.3D126 R268S122-D126 WeakPolarHBondContact CB-OD2 3.24Å; S122-D126 PolarHBondContact N-OD2 2.92Å; S122-D126 VanDerWaalsContact N-OD2 3.16Å; S122-D126 PolarHBondContact OG-OD2 2.98Å; S122-R268 PolarHBondContact O-NH2 3.37Å
123S85.2Confident76.1Confident74 Ų7457.2 Ų57.252%0.51735%0.348SS..SBendtrans-142.5168-179.8-63.20000111.5P121 D126P121-S123 VanDerWaalsContact C-N 3.3Å; P121-S123 PolarHBondContact O-N 3.22Å; S123-D126 WeakPolarHBondContact O-CB 3.49Å; S123-D126 PolarHBondContact O-N 3.27Å
124A88.2Confident76Confident57 Ų5759.6 Ų59.647%0.47136%0.357SS..THydrogen-bonded Turntrans-59.3144.3169.100000110.2D126 L243 L244A124-D126 PolarHBondContact O-N 2.82Å; A124-L243 WeakPolarHBondContact CB-O 3.49Å; A124-L244 HydrophobicContact CB-CD1 4.3Å
125W90.2Very high75.6Confident49 Ų4960.2 Ų60.219%0.18636%0.361CS..THydrogen-bonded Turntrans63.33.6179.8-153.8-110.3000116.4K127 L128 I148 F149 E152 G153 P155 L244W125-K127 PolarHBondContact O-N 2.89Å; W125-L128 HydrophobicContact CH2-CD1 3.96Å; W125-L128 HydrophobicContact CH2-CD2 4.11Å; W125-L128 HydrophobicContact CZ2-CD2 4.17Å; W125-L128 HydrophobicContact CZ3-CD1 3.89Å; W125-I148 HydrophobicContact CH2-CD1 3.81Å; W125-I148 HydrophobicContact CH2-CG1 3.87Å; W125-I148 HydrophobicContact CZ2-CG1 4.25Å; W125-F149 HydrophobicContact CZ2-CD1 4.08Å; W125-F149 HydrophobicContact CZ2-CE1 4.15Å; W125-E152 HydrophobicContact CD2-CB 3.98Å; W125-E152 HydrophobicContact CE3-CB 4.42Å; W125-E152 HydrophobicContact CH2-CB 4.09Å; W125-E152 HydrophobicContact CH2-CG 4.07Å; W125-E152 HydrophobicContact CZ2-CB 3.59Å; W125-E152 HydrophobicContact CZ2-CG 4.06Å; W125-E152 HydrophobicContact CZ3-CB 4.47Å; W125-E152 HydrophobicContact CZ3-CG 4.41Å; W125-G153 PolarHBondContact NE1-O 3.49Å; W125-P155 WeakPolarHBondContact O-CA 3.35Å; W125-P155 VanDerWaalsContact O-CB 3.28Å; W125-P155 WeakPolarHBondContact O-CB 3.31Å; W125-L244 HydrophobicContact CB-CD1 4.35Å; W125-L244 HydrophobicContact CE3-CD1 3.9Å
126D89.3Confident75Confident30 Ų3063.7 Ų63.716%0.1638%0.38CS..SBendtrans-64.1-39.9178.3-172.231.2000112.4P121 S122 S123 A124 N156 E157P121-D126 HydrophobicContact CB-CB 4.22Å; S122-D126 WeakPolarHBondContact CB-OD2 3.24Å; S122-D126 PolarHBondContact N-OD2 2.92Å; S122-D126 VanDerWaalsContact N-OD2 3.16Å; S122-D126 PolarHBondContact OG-OD2 2.98Å; S123-D126 WeakPolarHBondContact O-CB 3.49Å; S123-D126 PolarHBondContact O-N 3.27Å; A124-D126 PolarHBondContact O-N 2.82Å; D126-N156 WeakPolarHBondContact O-CB 3.29Å; D126-N156 PolarHBondContact O-N 2.94Å; D126-N156 PolarHBondContact OD1-ND2 3.18Å; D126-E157 PolarHBondContact O-N 3.36Å; D126-E157 VanDerWaalsContact O-N 3.1Å
127K88Confident74.8Confident53 Ų5367.5 Ų67.523%0.2340%0.397CS..EExtended strand (participates in β ladder)trans-129.2125.8178.1-172.6178.5-60.2-130.20110.7P121 W125 E157 V159P121-K127 HydrophobicContact CB-CB 4.49Å; W125-K127 PolarHBondContact O-N 2.89Å; K127-E157 CarbonylContact C-O 3.52Å; K127-E157 WeakPolarHBondContact CA-O 3.32Å; K127-E157 WeakPolarHBondContact CE-OE2 3.35Å; K127-E157 HydrophobicContact CG-CB 4.31Å; K127-E157 HydrophobicContact CG-CG 4.44Å; K127-E157 IonicContact NZ-OE1 2.92Å; K127-E157 PolarHBondContact NZ-OE1 3.09Å; K127-E157 IonicContact NZ-OE2 2.88Å; K127-E157 PolarHBondContact NZ-OE2 3.02Å; K127-E157 VanDerWaalsContact NZ-OE2 3.07Å; K127-V159 HydrophobicContact CD-CG2 3.83Å; K127-V159 HydrophobicContact CG-CG2 3.91Å
128L88.4Confident74.6Confident31 Ų3168 Ų6816%0.16242%0.415CS..EExtended strand (participates in β ladder)trans-114.3119.4-179.1-178.665.3000111W125 V130 F149 P155 E157 I158 V159W125-L128 HydrophobicContact CH2-CD1 3.96Å; W125-L128 HydrophobicContact CH2-CD2 4.11Å; W125-L128 HydrophobicContact CZ2-CD2 4.17Å; W125-L128 HydrophobicContact CZ3-CD1 3.89Å; L128-V130 HydrophobicContact CD2-CG2 3.87Å; L128-V130 HydrophobicContact CG-CG2 3.8Å; L128-F149 HydrophobicContact CD2-CE1 3.86Å; L128-F149 HydrophobicContact CD2-CZ 4.34Å; L128-P155 HydrophobicContact CB-CB 4.1Å; L128-P155 HydrophobicContact CB-CG 4.11Å; L128-P155 HydrophobicContact CD2-CG 4.27Å; L128-E157 PolarHBondContact N-O 2.95Å; L128-I158 HydrophobicContact CB-CG1 4.25Å; L128-I158 HydrophobicContact CD2-CG1 4.5Å; L128-I158 CarbonylContact O-C 3.58Å; L128-I158 WeakPolarHBondContact O-CA 3.3Å; L128-V159 PolarHBondContact O-N 3.22Å
129G86.6Confident74.4Confident38 Ų3872 Ų7239%0.39243%0.434SS..EExtended strand (participates in β ladder)trans-84.1124.5168.900000110.6V159G129-V159 WeakPolarHBondContact CA-O 3.13Å
130V83.8Confident74.4Confident11 Ų1170.6 Ų70.67%0.06743%0.425CS..EExtended strand (participates in β ladder)trans-121.4124.3-178.4-1790000110L128 V132 F145 I158 V159 T160 F166L128-V130 HydrophobicContact CD2-CG2 3.87Å; L128-V130 HydrophobicContact CG-CG2 3.8Å; V130-V132 HydrophobicContact CG1-CG2 3.92Å; V130-F145 HydrophobicContact CG1-CE1 3.8Å; V130-F145 HydrophobicContact CG1-CZ 3.63Å; V130-F145 HydrophobicContact CG2-CE1 4.47Å; V130-I158 HydrophobicContact CB-CG2 4.33Å; V130-I158 HydrophobicContact CG2-CG2 3.84Å; V130-V159 PolarHBondContact N-O 3Å; V130-T160 HydrophobicContact CB-CG2 4.09Å; V130-F166 HydrophobicContact CG1-CE1 3.85Å; V130-F166 HydrophobicContact CG1-CZ 3.79Å
131D80.5Confident74.2Confident59 Ų5969 Ų6932%0.31642%0.417SS..  trans-125.2130.6164.4-18021.6000108.3I196 N200D131-I196 HydrophobicContact CB-CG2 3.41Å; D131-I196 VanDerWaalsContact CB-CG2 3.41Å; D131-N200 PolarHBondContact OD2-ND2 3.38Å
132V66.5Low73.7Confident42 Ų4267 Ų6726%0.25540%0.404SS..  trans-115.9113.9-176.3170.30000108.7V130 V134 Y141 F145 F166V130-V132 HydrophobicContact CG1-CG2 3.92Å; V132-V134 PolarHBondContact O-N 2.93Å; V132-Y141 HydrophobicContact CG1-CE1 4.49Å; V132-F145 HydrophobicContact CG2-CZ 4.2Å; V132-F166 HydrophobicContact CB-CE1 4.39Å; V132-F166 HydrophobicContact CB-CZ 3.7Å; V132-F166 HydrophobicContact CG2-CE1 3.84Å; V132-F166 HydrophobicContact CG2-CZ 3.48Å; V132-F166 VanDerWaalsContact CG2-CZ 3.48Å
133V59.8Low73.2Confident109 Ų10968.6 Ų68.666%0.66140%0.403SS*.  trans-87.695.4173.8-177.10000109.3
134V52Low72.9Confident99 Ų9968.2 Ų68.260%0.639%0.39SS*.SBendtrans41.4152.4150.7-132.50000120.9V132V132-V134 PolarHBondContact O-N 2.93Å
135P49.2Very low72.5Confident85 Ų8566.9 Ų66.955%0.55237%0.374SS*.PPolyproline II helix-77.3135-109.135.4-17.7000113.5
136L54Low72.2Confident125 Ų12567 Ų6765%0.65439%0.385SS*.PPolyproline II helixtrans-94.6126.6159.7-43.1161.5000107.2R144L136-R144 PolarHBondContact O-NH1 3.08Å; L136-R144 PolarHBondContact O-NH2 3.22Å
137Q61.7Low71.9Confident186 Ų18672.7 Ų72.787%0.86941%0.411SS*.PPolyproline II helixtrans-78.1146.5-177.6-72.3153.8-4300110.8
138G63.5Low72Confident79 Ų7973 Ų7381%0.81442%0.415SS*.SBendtrans92.5-6.6158.900000118.9
139M66.2Low72.1Confident114 Ų11471.9 Ų71.956%0.56241%0.408SS*.SBendtrans-123.3139.7179.6-65.6-63.8-71.500112.9H143 R144M139-H143 HydrophobicContact CE-CB 4.42Å; M139-R144 HydrophobicContact CB-CG 4.49Å; M139-R144 VanDerWaalsContact O-CZ 3.3Å; M139-R144 PolarHBondContact O-NE 3.04Å; M139-R144 VanDerWaalsContact O-NE 3.13Å; M139-R144 PolarHBondContact O-NH2 3.25Å
140P69.7Low72.4Confident56 Ų5675.2 Ų75.236%0.36443%0.426SS..  trans-54.4145.9170.1-21.231.3000111.4G142 H143 R144 E170P140-G142 PolarHBondContact O-N 3.32Å; P140-H143 PolarHBondContact O-N 3.12Å; P140-R144 WeakPolarHBondContact O-CG 3.2Å; P140-R144 PolarHBondContact O-N 2.73Å; P140-E170 VanDerWaalsContact CB-CD 3.49Å; P140-E170 HydrophobicContact CB-CG 3.98Å; P140-E170 WeakPolarHBondContact CB-OE1 3.38Å
141Y72.8Confident72.8Confident37 Ų3781.7 Ų81.715%0.14545%0.449CS..THydrogen-bonded Turntrans-66.7-38-172.3-84.4-83.1000112.8V132 H143 R144 F145 Q165 E170V132-Y141 HydrophobicContact CG1-CE1 4.49Å; Y141-H143 VanDerWaalsContact C-N 3.29Å; Y141-H143 PolarHBondContact O-N 3.39Å; Y141-R144 WeakPolarHBondContact O-CB 3.33Å; Y141-R144 PolarHBondContact O-N 3.23Å; Y141-R144 VanDerWaalsContact O-N 3.16Å; Y141-F145 WeakPolarHBondContact O-CD2 3.44Å; Y141-F145 WeakPolarHBondContact O-CE2 3.17Å; Y141-Q165 HydrophobicContact CD1-CB 3.97Å; Y141-Q165 HydrophobicContact CD2-CB 4.22Å; Y141-Q165 HydrophobicContact CE1-CB 3.45Å; Y141-Q165 VanDerWaalsContact CE1-CB 3.45Å; Y141-Q165 HydrophobicContact CE1-CG 4.22Å; Y141-Q165 HydrophobicContact CE2-CB 3.73Å; Y141-Q165 HydrophobicContact CG-CB 4.32Å; Y141-E170 VanDerWaalsContact N-CD 3.33Å; Y141-E170 PolarHBondContact N-OE1 2.73Å; Y141-E170 VanDerWaalsContact N-OE1 3.1Å; Y141-E170 PolarHBondContact N-OE2 3.18Å
142G69.7Low73.4Confident0 Ų081 Ų810%044%0.444CS..G310 helixtrans-58.7-42.6177.300000112.5P140 R144 F145 E170 F174P140-G142 PolarHBondContact O-N 3.32Å; G142-R144 PolarHBondContact O-N 3.18Å; G142-F145 PolarHBondContact O-N 3.24Å; G142-F145 VanDerWaalsContact O-N 3.14Å; G142-E170 PolarHBondContact N-OE1 3.04Å; G142-F174 VanDerWaalsContact CA-CD1 3.47Å; G142-F174 VanDerWaalsContact CA-CG 3.48Å; G142-F174 WeakPolarHBondContact O-CZ 3.11Å
143H72.7Confident74.7Confident107 Ų10780.6 Ų80.650%0.49545%0.448SS..G310 helixtrans-68.6-17.1-178.9-67.874.6000113.4M139 P140 Y141 F145 A146M139-H143 HydrophobicContact CE-CB 4.42Å; P140-H143 PolarHBondContact O-N 3.12Å; Y141-H143 VanDerWaalsContact C-N 3.29Å; Y141-H143 PolarHBondContact O-N 3.39Å; H143-F145 PolarHBondContact O-N 3.25Å; H143-A146 WeakPolarHBondContact O-CB 3.37Å; H143-A146 PolarHBondContact O-N 3.36Å; H143-A146 VanDerWaalsContact O-N 3.13Å
144R77.3Confident76.3Confident65 Ų6581 Ų8125%0.24544%0.439CS..G310 helixtrans-69.2-23.1175.6-62.5170.2-167.2-124.5-3.9112.3L136 M139 P140 Y141 G142 A146L136-R144 PolarHBondContact O-NH1 3.08Å; L136-R144 PolarHBondContact O-NH2 3.22Å; M139-R144 HydrophobicContact CB-CG 4.49Å; M139-R144 VanDerWaalsContact O-CZ 3.3Å; M139-R144 PolarHBondContact O-NE 3.04Å; M139-R144 VanDerWaalsContact O-NE 3.13Å; M139-R144 PolarHBondContact O-NH2 3.25Å; P140-R144 WeakPolarHBondContact O-CG 3.2Å; P140-R144 PolarHBondContact O-N 2.73Å; Y141-R144 WeakPolarHBondContact O-CB 3.33Å; Y141-R144 PolarHBondContact O-N 3.23Å; Y141-R144 VanDerWaalsContact O-N 3.16Å; G142-R144 PolarHBondContact O-N 3.18Å; R144-A146 VanDerWaalsContact C-N 3.35Å
145F81.2Confident78.3Confident29 Ų2976.4 Ų76.413%0.12741%0.411CS..G310 helixtrans-91-1.1175.9-56.3-75.9000112.4V130 V132 Y141 G142 H143 E147 I148 F149 F171V130-F145 HydrophobicContact CG1-CE1 3.8Å; V130-F145 HydrophobicContact CG1-CZ 3.63Å; V130-F145 HydrophobicContact CG2-CE1 4.47Å; V132-F145 HydrophobicContact CG2-CZ 4.2Å; Y141-F145 WeakPolarHBondContact O-CD2 3.44Å; Y141-F145 WeakPolarHBondContact O-CE2 3.17Å; G142-F145 PolarHBondContact O-N 3.24Å; G142-F145 VanDerWaalsContact O-N 3.14Å; H143-F145 PolarHBondContact O-N 3.25Å; F145-E147 VanDerWaalsContact C-N 3.31Å; F145-E147 PolarHBondContact O-N 3.12Å; F145-I148 HydrophobicContact CB-CG2 4Å; F145-I148 HydrophobicContact CD1-CG2 4.29Å; F145-I148 WeakPolarHBondContact O-CG2 3.23Å; F145-I148 PolarHBondContact O-N 2.82Å; F145-I148 VanDerWaalsContact O-N 3.08Å; F145-F149 HydrophobicContact CB-CD1 4.31Å; F145-F149 HydrophobicContact CB-CD2 3.47Å; F145-F149 VanDerWaalsContact CB-CD2 3.47Å; F145-F149 HydrophobicContact CB-CE1 4.05Å; F145-F149 HydrophobicContact CB-CE2 3.17Å; F145-F149 HydrophobicContact CB-CG 4.05Å; F145-F149 HydrophobicContact CB-CZ 3.48Å; F145-F149 VanDerWaalsContact CB-CZ 3.48Å; F145-F149 HydrophobicContact CD1-CZ 4.35Å; F145-F149 HydrophobicContact CD2-CE2 4.33Å; F145-F149 HydrophobicContact CD2-CZ 4.49Å; F145-F149 AromaticContact CG-CE2 3.89Å; F145-F149 HydrophobicContact CG-CE2 3.89Å; F145-F149 AromaticContact CG-CZ 3.87Å; F145-F149 HydrophobicContact CG-CZ 3.87Å; F145-F149 WeakPolarHBondContact O-CB 3.48Å; F145-F149 WeakPolarHBondContact O-CG 3.38Å; F145-F149 PolarHBondContact O-N 2.74Å; F145-F171 HydrophobicContact CD2-CE2 4.32Å; F145-F171 AromaticContact CE2-CE2 3.82Å; F145-F171 HydrophobicContact CE2-CE2 3.82Å; F145-F171 HydrophobicContact CE2-CZ 4.42Å
146A82.6Confident80.4Confident51 Ų5176.9 Ų76.942%0.42141%0.409SS..Hα-helixtrans-56.3-42.3-175.100000112.7H143 R144 I148 S150H143-A146 WeakPolarHBondContact O-CB 3.37Å; H143-A146 PolarHBondContact O-N 3.36Å; H143-A146 VanDerWaalsContact O-N 3.13Å; R144-A146 VanDerWaalsContact C-N 3.35Å; A146-I148 PolarHBondContact O-N 3.09Å; A146-S150 WeakPolarHBondContact O-CB 3.36Å; A146-S150 PolarHBondContact O-N 3.38Å
147E84.4Confident82.1Confident151 Ų15171.6 Ų71.671%0.70638%0.381SS*.Hα-helixtrans-63.9-41.4178.8-166.7-158.413800112.1F145 R151F145-E147 VanDerWaalsContact C-N 3.31Å; F145-E147 PolarHBondContact O-N 3.12Å; E147-R151 PolarHBondContact O-N 2.99Å; E147-R151 IonicContact OE1-NH1 3.66Å
148I89.4Confident83.4Confident60 Ų6062.8 Ų62.831%0.30834%0.339SS..Hα-helixtrans-76.5-41-179.2-169.9161.7000111.3W125 F145 A146 S150 R151 E152W125-I148 HydrophobicContact CH2-CD1 3.81Å; W125-I148 HydrophobicContact CH2-CG1 3.87Å; W125-I148 HydrophobicContact CZ2-CG1 4.25Å; F145-I148 HydrophobicContact CB-CG2 4Å; F145-I148 HydrophobicContact CD1-CG2 4.29Å; F145-I148 WeakPolarHBondContact O-CG2 3.23Å; F145-I148 PolarHBondContact O-N 2.82Å; F145-I148 VanDerWaalsContact O-N 3.08Å; A146-I148 PolarHBondContact O-N 3.09Å; I148-S150 VanDerWaalsContact C-N 3.35Å; I148-R151 PolarHBondContact O-N 3.13Å; I148-R151 VanDerWaalsContact O-N 3.14Å; I148-E152 HydrophobicContact CG1-CG 3.9Å; I148-E152 WeakPolarHBondContact O-CB 3.16Å; I148-E152 WeakPolarHBondContact O-CG 3.44Å; I148-E152 PolarHBondContact O-N 3.14Å
149F91.5Very high84.4Confident6 Ų659.3 Ų59.33%0.02630%0.302CS..Hα-helixtrans-69.6-32.3177-64-20.9000112.4W125 L128 F145 R151 G153 Y154 P155 I158 F174 I180W125-F149 HydrophobicContact CZ2-CD1 4.08Å; W125-F149 HydrophobicContact CZ2-CE1 4.15Å; L128-F149 HydrophobicContact CD2-CE1 3.86Å; L128-F149 HydrophobicContact CD2-CZ 4.34Å; F145-F149 HydrophobicContact CB-CD1 4.31Å; F145-F149 HydrophobicContact CB-CD2 3.47Å; F145-F149 VanDerWaalsContact CB-CD2 3.47Å; F145-F149 HydrophobicContact CB-CE1 4.05Å; F145-F149 HydrophobicContact CB-CE2 3.17Å; F145-F149 HydrophobicContact CB-CG 4.05Å; F145-F149 HydrophobicContact CB-CZ 3.48Å; F145-F149 VanDerWaalsContact CB-CZ 3.48Å; F145-F149 HydrophobicContact CD1-CZ 4.35Å; F145-F149 HydrophobicContact CD2-CE2 4.33Å; F145-F149 HydrophobicContact CD2-CZ 4.49Å; F145-F149 AromaticContact CG-CE2 3.89Å; F145-F149 HydrophobicContact CG-CE2 3.89Å; F145-F149 AromaticContact CG-CZ 3.87Å; F145-F149 HydrophobicContact CG-CZ 3.87Å; F145-F149 WeakPolarHBondContact O-CB 3.48Å; F145-F149 WeakPolarHBondContact O-CG 3.38Å; F145-F149 PolarHBondContact O-N 2.74Å; F149-R151 PolarHBondContact O-N 3.35Å; F149-G153 CarbonylContact O-C 3.58Å; F149-G153 WeakPolarHBondContact O-CA 3.33Å; F149-G153 PolarHBondContact O-N 3.19Å; F149-Y154 HydrophobicContact CB-CD1 3.97Å; F149-Y154 HydrophobicContact CB-CE1 3.92Å; F149-Y154 AromaticContact CD2-CD1 3.68Å; F149-Y154 HydrophobicContact CD2-CD1 3.68Å; F149-Y154 AromaticContact CD2-CE1 3.71Å; F149-Y154 HydrophobicContact CD2-CE1 3.71Å; F149-Y154 HydrophobicContact CE2-CD1 4.34Å; F149-Y154 AromaticContact CG-CD1 3.93Å; F149-Y154 HydrophobicContact CG-CD1 3.93Å; F149-Y154 HydrophobicContact CG-CE1 4.14Å; F149-P155 HydrophobicContact CE1-CG 4.27Å; F149-I158 HydrophobicContact CZ-CD1 3.9Å; F149-F174 HydrophobicContact CD2-CE1 4.44Å; F149-F174 HydrophobicContact CD2-CZ 4.1Å; F149-F174 AromaticContact CE2-CE1 3.94Å; F149-F174 HydrophobicContact CE2-CE1 3.94Å; F149-F174 HydrophobicContact CE2-CZ 4.05Å; F149-I180 HydrophobicContact CE2-CD1 4.49Å
150S92Very high85.2Confident109 Ų10954 Ų5476%0.76228%0.277SS*.Hα-helixtrans-63.2-27.1171.5177.90000112.6A146 I148A146-S150 WeakPolarHBondContact O-CB 3.36Å; A146-S150 PolarHBondContact O-N 3.38Å; I148-S150 VanDerWaalsContact C-N 3.35Å
151R92.4Very high85.6Confident146 Ų14653.7 Ų53.755%0.55127%0.272SS*.Hα-helixtrans-93.8-39.4-179.4-176173.859.4-112.5-7.2113.1E147 I148 F149E147-R151 PolarHBondContact O-N 2.99Å; E147-R151 IonicContact OE1-NH1 3.66Å; I148-R151 PolarHBondContact O-N 3.13Å; I148-R151 VanDerWaalsContact O-N 3.14Å; F149-R151 PolarHBondContact O-N 3.35Å
152E92.8Very high85.6Confident46 Ų4654.4 Ų54.422%0.21528%0.278CS..Hα-helixtrans-106.1-12.3-171.2-47.4-65155.500112.9W125 I148 H245W125-E152 HydrophobicContact CD2-CB 3.98Å; W125-E152 HydrophobicContact CE3-CB 4.42Å; W125-E152 HydrophobicContact CH2-CB 4.09Å; W125-E152 HydrophobicContact CH2-CG 4.07Å; W125-E152 HydrophobicContact CZ2-CB 3.59Å; W125-E152 HydrophobicContact CZ2-CG 4.06Å; W125-E152 HydrophobicContact CZ3-CB 4.47Å; W125-E152 HydrophobicContact CZ3-CG 4.41Å; I148-E152 HydrophobicContact CG1-CG 3.9Å; I148-E152 WeakPolarHBondContact O-CB 3.16Å; I148-E152 WeakPolarHBondContact O-CG 3.44Å; I148-E152 PolarHBondContact O-N 3.14Å; E152-H245 IonicContact OE1-NE2 2.61Å; E152-H245 IonicContact OE2-CD2 3.61Å; E152-H245 IonicContact OE2-CE1 3.88Å; E152-H245 IonicContact OE2-NE2 3.74Å; E152-H245 PolarHBondContact OE2-NE2 2.78Å
153G93.4Very high85.7Confident32 Ų3254.9 Ų54.933%0.3328%0.283SS..  trans86.4173.1-170.500000113.3W125 F149W125-G153 PolarHBondContact NE1-O 3.49Å; F149-G153 CarbonylContact O-C 3.58Å; F149-G153 WeakPolarHBondContact O-CA 3.33Å; F149-G153 PolarHBondContact O-N 3.19Å
154Y94Very high85.7Confident118 Ų11852.6 Ų52.646%0.46327%0.271SS..  trans-80.5133.4172.6-62.5-71.8000110.5F149 F174 H178 I180F149-Y154 HydrophobicContact CB-CD1 3.97Å; F149-Y154 HydrophobicContact CB-CE1 3.92Å; F149-Y154 AromaticContact CD2-CD1 3.68Å; F149-Y154 HydrophobicContact CD2-CD1 3.68Å; F149-Y154 AromaticContact CD2-CE1 3.71Å; F149-Y154 HydrophobicContact CD2-CE1 3.71Å; F149-Y154 HydrophobicContact CE2-CD1 4.34Å; F149-Y154 AromaticContact CG-CD1 3.93Å; F149-Y154 HydrophobicContact CG-CD1 3.93Å; F149-Y154 HydrophobicContact CG-CE1 4.14Å; Y154-F174 HydrophobicContact CE1-CZ 4.24Å; Y154-H178 HydrophobicContact CD1-CB 4.1Å; Y154-H178 HydrophobicContact CE1-CB 4.16Å; Y154-H178 AromaticContact CE1-CD2 3.37Å; Y154-H178 WeakPolarHBondContact CE1-CD2 3.28Å; Y154-H178 AromaticContact CE1-CG 3.76Å; Y154-H178 AromaticContact CE1-NE2 3.92Å; Y154-H178 AromaticContact CE2-CD2 3.6Å; Y154-H178 HydrophobicContact CG-CB 4.35Å; Y154-H178 AromaticContact CZ-CD2 3.08Å; Y154-H178 AromaticContact CZ-CG 3.93Å; Y154-H178 AromaticContact CZ-NE2 3.57Å; Y154-H178 PolarHBondContact OH-CD2 3.16Å; Y154-H178 PolarHBondContact OH-NE2 3.09Å; Y154-I180 HydrophobicContact CD1-CD1 3.87Å; Y154-I180 HydrophobicContact CG-CD1 4.42Å
155P93.3Very high85.6Confident3 Ų350.4 Ų50.42%0.01926%0.264CS..  trans-75.9156.4174.732.9-36.2000111.5W125 L128 F149 E157 I158 I180W125-P155 WeakPolarHBondContact O-CA 3.35Å; W125-P155 VanDerWaalsContact O-CB 3.28Å; W125-P155 WeakPolarHBondContact O-CB 3.31Å; L128-P155 HydrophobicContact CB-CB 4.1Å; L128-P155 HydrophobicContact CB-CG 4.11Å; L128-P155 HydrophobicContact CD2-CG 4.27Å; F149-P155 HydrophobicContact CE1-CG 4.27Å; P155-E157 VanDerWaalsContact C-N 3.34Å; P155-I158 HydrophobicContact CG-CD1 3.97Å; P155-I158 HydrophobicContact CG-CG1 3.68Å; P155-I180 HydrophobicContact CG-CG2 4.37Å
156N93.1Very high85.4Confident95 Ų9549 Ų4951%0.50826%0.258SS..SBendtrans-72.6-29.4175.8-67.7-37000112.5D126 R181D126-N156 WeakPolarHBondContact O-CB 3.29Å; D126-N156 PolarHBondContact O-N 2.94Å; D126-N156 PolarHBondContact OD1-ND2 3.18Å; N156-R181 WeakPolarHBondContact O-CB 3.24Å; N156-R181 PolarHBondContact O-N 3.08Å
157E90Very high85.2Confident13 Ų1349 Ų496%0.06125%0.253CS..EExtended strand (participates in β ladder)trans-143.1136.8-179.2-170.6-178.3147.300111.8D126 K127 L128 P155 R181 N183D126-E157 PolarHBondContact O-N 3.36Å; D126-E157 VanDerWaalsContact O-N 3.1Å; K127-E157 CarbonylContact C-O 3.52Å; K127-E157 WeakPolarHBondContact CA-O 3.32Å; K127-E157 WeakPolarHBondContact CE-OE2 3.35Å; K127-E157 HydrophobicContact CG-CB 4.31Å; K127-E157 HydrophobicContact CG-CG 4.44Å; K127-E157 IonicContact NZ-OE1 2.92Å; K127-E157 PolarHBondContact NZ-OE1 3.09Å; K127-E157 IonicContact NZ-OE2 2.88Å; K127-E157 PolarHBondContact NZ-OE2 3.02Å; K127-E157 VanDerWaalsContact NZ-OE2 3.07Å; L128-E157 PolarHBondContact N-O 2.95Å; P155-E157 VanDerWaalsContact C-N 3.34Å; E157-R181 CarbonylContact C-O 3.53Å; E157-R181 VanDerWaalsContact CA-O 3.3Å; E157-R181 WeakPolarHBondContact CA-O 3.42Å; E157-R181 HydrophobicContact CB-CB 4.46Å; E157-R181 HydrophobicContact CG-CB 4.33Å; E157-R181 IonicContact OE2-CZ 2.77Å; E157-R181 IonicContact OE2-NH1 3.87Å; E157-R181 PolarHBondContact OE2-NH1 2.86Å; E157-R181 IonicContact OE2-NH2 3.97Å; E157-R181 PolarHBondContact OE2-NH2 3.43Å; E157-N183 HydrophobicContact CG-CB 4.48Å; E157-N183 PolarHBondContact OE1-ND2 3.1Å; E157-N183 VanDerWaalsContact OE1-ND2 3.1Å
158I89Confident84.9Confident1 Ų142.3 Ų42.31%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-113.9129.8169.2-69.4178.4000109.7L128 V130 F149 P155 T160 L175 I180 R181 N183L128-I158 HydrophobicContact CB-CG1 4.25Å; L128-I158 HydrophobicContact CD2-CG1 4.5Å; L128-I158 CarbonylContact O-C 3.58Å; L128-I158 WeakPolarHBondContact O-CA 3.3Å; V130-I158 HydrophobicContact CB-CG2 4.33Å; V130-I158 HydrophobicContact CG2-CG2 3.84Å; F149-I158 HydrophobicContact CZ-CD1 3.9Å; P155-I158 HydrophobicContact CG-CD1 3.97Å; P155-I158 HydrophobicContact CG-CG1 3.68Å; I158-T160 HydrophobicContact CG2-CG2 3.52Å; I158-L175 HydrophobicContact CD1-CD2 3.82Å; I158-I180 HydrophobicContact CB-CG2 4.16Å; I158-I180 HydrophobicContact CD1-CD1 4.36Å; I158-I180 HydrophobicContact CD1-CG2 3.81Å; I158-I180 HydrophobicContact CG1-CG2 3.67Å; I158-R181 PolarHBondContact N-O 2.83Å; I158-N183 PolarHBondContact O-N 2.98Å
159V84.7Confident84.6Confident6 Ų645.8 Ų45.84%0.03623%0.233CC..EExtended strand (participates in β ladder)trans-106.8120.4173.5-175.40000108.6K127 L128 G129 V130 N183 A192K127-V159 HydrophobicContact CD-CG2 3.83Å; K127-V159 HydrophobicContact CG-CG2 3.91Å; L128-V159 PolarHBondContact O-N 3.22Å; G129-V159 WeakPolarHBondContact CA-O 3.13Å; V130-V159 PolarHBondContact N-O 3Å; V159-N183 HydrophobicContact CG2-CB 4.24Å; V159-A192 HydrophobicContact CG1-CB 4.23Å
160T83Confident84.3Confident3 Ų347.8 Ų47.82%0.01824%0.242CC..EExtended strand (participates in β ladder)trans-128.3167.8176.972.80000110.8V130 I158 F166 H182 N183V130-T160 HydrophobicContact CB-CG2 4.09Å; I158-T160 HydrophobicContact CG2-CG2 3.52Å; T160-F166 VanDerWaalsContact CB-CD2 3.48Å; T160-F166 HydrophobicContact CG2-CB 4.16Å; T160-F166 HydrophobicContact CG2-CD1 3.82Å; T160-F166 HydrophobicContact CG2-CD2 4.02Å; T160-F166 HydrophobicContact CG2-CE1 4.14Å; T160-F166 HydrophobicContact CG2-CE2 4.31Å; T160-F166 HydrophobicContact CG2-CG 3.74Å; T160-F166 HydrophobicContact CG2-CZ 4.36Å; T160-F166 VanDerWaalsContact OG1-CB 3.32Å; T160-F166 WeakPolarHBondContact OG1-CB 3.36Å; T160-H182 PolarHBondContact OG1-NE2 3.02Å; T160-N183 PolarHBondContact N-O 3.01Å
161D77.9Confident83.9Confident49 Ų4942.6 Ų42.626%0.26221%0.206SC..  trans-73.7172161.773.4-8000111.1G163 F166D161-G163 PolarHBondContact O-N 3.39Å; D161-G163 PolarHBondContact OD1-N 3.12Å; D161-G163 VanDerWaalsContact OD1-N 3.09Å; D161-F166 VanDerWaalsContact OD1-CD2 3.24Å; D161-F166 WeakPolarHBondContact OD1-CD2 3.5Å; D161-F166 WeakPolarHBondContact OD1-CE2 3.49Å
162N73.5Confident83.6Confident53 Ų5340.6 Ų40.628%0.28320%0.201SC..SBendtrans-76.127173.7-80.8-76.4000112.4E184N162-E184 PolarHBondContact ND2-O 3.3Å
163G72.6Confident83.4Confident9 Ų943.8 Ų43.89%0.09321%0.211CC..  trans-58144.1174.700000110.9D161 Q165 F166 T167D161-G163 PolarHBondContact O-N 3.39Å; D161-G163 PolarHBondContact OD1-N 3.12Å; D161-G163 VanDerWaalsContact OD1-N 3.09Å; G163-Q165 PolarHBondContact O-N 2.73Å; G163-F166 PolarHBondContact O-N 3.35Å; G163-T167 PolarHBondContact O-N 3.37Å; G163-T167 VanDerWaalsContact O-N 3.08Å; G163-T167 PolarHBondContact O-OG1 2.91Å
164K71.6Confident83.2Confident59 Ų5942.9 Ų42.926%0.25720%0.198SC..THydrogen-bonded Turntrans-60.6-28.8-178.8-72.7-174.9173.3174.90113.1F166 T167 S168 I304 F307K164-F166 PolarHBondContact O-N 3.04Å; K164-T167 VanDerWaalsContact CA-OG1 3.31Å; K164-T167 WeakPolarHBondContact CA-OG1 3.1Å; K164-T167 PolarHBondContact O-N 2.74Å; K164-S168 PolarHBondContact O-N 3.41Å; K164-I304 WeakPolarHBondContact CE-O 3.37Å; K164-I304 PolarHBondContact NZ-O 3.27Å; K164-F307 HydrophobicContact CB-CB 3.58Å; K164-F307 HydrophobicContact CB-CD2 3.97Å; K164-F307 HydrophobicContact CB-CG 3.95Å; K164-F307 HydrophobicContact CD-CB 3.57Å; K164-F307 HydrophobicContact CD-CD2 4.07Å; K164-F307 HydrophobicContact CD-CG 4.28Å; K164-F307 HydrophobicContact CG-CB 4.22Å; K164-F307 HydrophobicContact CG-CD2 4.43Å
165Q74.7Confident83Confident20 Ų2037.4 Ų37.49%0.09318%0.177CC..THydrogen-bonded Turntrans-59.8-34172.862.5-80.89.700113.2Y141 G163 S168Y141-Q165 HydrophobicContact CD1-CB 3.97Å; Y141-Q165 HydrophobicContact CD2-CB 4.22Å; Y141-Q165 HydrophobicContact CE1-CB 3.45Å; Y141-Q165 VanDerWaalsContact CE1-CB 3.45Å; Y141-Q165 HydrophobicContact CE1-CG 4.22Å; Y141-Q165 HydrophobicContact CE2-CB 3.73Å; Y141-Q165 HydrophobicContact CG-CB 4.32Å; G163-Q165 PolarHBondContact O-N 2.73Å; Q165-S168 PolarHBondContact O-OG 3.43Å
166F78.4Confident82.9Confident0 Ų042.9 Ų42.90%020%0.202CC..THydrogen-bonded Turntrans-98.4-13-178.2-53.2-57000113.1V130 V132 T160 D161 G163 K164 F171 H182V130-F166 HydrophobicContact CG1-CE1 3.85Å; V130-F166 HydrophobicContact CG1-CZ 3.79Å; V132-F166 HydrophobicContact CB-CE1 4.39Å; V132-F166 HydrophobicContact CB-CZ 3.7Å; V132-F166 HydrophobicContact CG2-CE1 3.84Å; V132-F166 HydrophobicContact CG2-CZ 3.48Å; V132-F166 VanDerWaalsContact CG2-CZ 3.48Å; T160-F166 VanDerWaalsContact CB-CD2 3.48Å; T160-F166 HydrophobicContact CG2-CB 4.16Å; T160-F166 HydrophobicContact CG2-CD1 3.82Å; T160-F166 HydrophobicContact CG2-CD2 4.02Å; T160-F166 HydrophobicContact CG2-CE1 4.14Å; T160-F166 HydrophobicContact CG2-CE2 4.31Å; T160-F166 HydrophobicContact CG2-CG 3.74Å; T160-F166 HydrophobicContact CG2-CZ 4.36Å; T160-F166 VanDerWaalsContact OG1-CB 3.32Å; T160-F166 WeakPolarHBondContact OG1-CB 3.36Å; D161-F166 VanDerWaalsContact OD1-CD2 3.24Å; D161-F166 WeakPolarHBondContact OD1-CD2 3.5Å; D161-F166 WeakPolarHBondContact OD1-CE2 3.49Å; G163-F166 PolarHBondContact O-N 3.35Å; K164-F166 PolarHBondContact O-N 3.04Å; F166-F171 HydrophobicContact CB-CD1 4.08Å; F166-F171 HydrophobicContact CB-CE1 4Å; F166-F171 HydrophobicContact CD1-CD1 4.19Å; F166-F171 AromaticContact CD1-CE1 3.68Å; F166-F171 HydrophobicContact CD1-CE1 3.68Å; F166-F171 HydrophobicContact CD1-CE2 4.44Å; F166-F171 AromaticContact CD1-CZ 3.83Å; F166-F171 HydrophobicContact CD1-CZ 3.83Å; F166-F171 HydrophobicContact CE1-CZ 4.44Å; F166-F171 HydrophobicContact CG-CE1 4.29Å; F166-F171 VanDerWaalsContact O-CD1 3.31Å; F166-F171 WeakPolarHBondContact O-CD1 3.3Å; F166-H182 PolarHBondContact O-CE1 3.11Å
167T77Confident82.9Confident50 Ų5044 Ų4431%0.30721%0.205SC..SBendtrans-99.77.217552.10000112.6G163 K164G163-T167 PolarHBondContact O-N 3.37Å; G163-T167 VanDerWaalsContact O-N 3.08Å; G163-T167 PolarHBondContact O-OG1 2.91Å; K164-T167 VanDerWaalsContact CA-OG1 3.31Å; K164-T167 WeakPolarHBondContact CA-OG1 3.1Å; K164-T167 PolarHBondContact O-N 2.74Å
168S78.8Confident83Confident11 Ų1146.1 Ų46.18%0.07721%0.214CC..SBendtrans-70.1148.6176.5690000111.3K164 Q165 E170 F171 K172K164-S168 PolarHBondContact O-N 3.41Å; Q165-S168 PolarHBondContact O-OG 3.43Å; S168-E170 VanDerWaalsContact C-N 3.32Å; S168-E170 PolarHBondContact O-N 2.73Å; S168-F171 PolarHBondContact O-N 3.32Å; S168-F171 VanDerWaalsContact OG-CB 3.26Å; S168-F171 WeakPolarHBondContact OG-CB 3.44Å; S168-F171 PolarHBondContact OG-N 3.27Å; S168-K172 WeakPolarHBondContact O-CB 3.12Å; S168-K172 PolarHBondContact O-N 3.03Å
169Y83.4Confident83.2Confident133 Ų13350.1 Ų50.152%0.52225%0.248SC..Hα-helixtrans-61.7-41.2176.6178.7-108.5000111.7F171 K172 R173Y169-F171 PolarHBondContact O-N 3.26Å; Y169-K172 PolarHBondContact O-N 3.04Å; Y169-R173 HydrophobicContact CD1-CG 4.29Å; Y169-R173 HydrophobicContact CD2-CG 4.38Å; Y169-R173 HydrophobicContact CE1-CG 3.85Å; Y169-R173 HydrophobicContact CE2-CG 3.93Å; Y169-R173 WeakPolarHBondContact O-CB 3.33Å; Y169-R173 PolarHBondContact O-N 3.43Å; Y169-R173 WeakPolarHBondContact OH-CD 3.38Å
170E84.2Confident83.7Confident47 Ų4750.2 Ų50.222%0.2225%0.248CC..Hα-helixtrans-53.6-51.1172.8178.5-92.7149.800112.5P140 Y141 G142 S168 R173 F174P140-E170 VanDerWaalsContact CB-CD 3.49Å; P140-E170 HydrophobicContact CB-CG 3.98Å; P140-E170 WeakPolarHBondContact CB-OE1 3.38Å; Y141-E170 VanDerWaalsContact N-CD 3.33Å; Y141-E170 PolarHBondContact N-OE1 2.73Å; Y141-E170 VanDerWaalsContact N-OE1 3.1Å; Y141-E170 PolarHBondContact N-OE2 3.18Å; G142-E170 PolarHBondContact N-OE1 3.04Å; S168-E170 VanDerWaalsContact C-N 3.32Å; S168-E170 PolarHBondContact O-N 2.73Å; E170-R173 PolarHBondContact O-N 3.14Å; E170-F174 WeakPolarHBondContact O-CB 3.31Å; E170-F174 PolarHBondContact O-N 3.28Å
171F84.6Confident84Confident0 Ų057.1 Ų57.10%027%0.273CS..Hα-helixtrans-66.9-42.4-179.1-171.7-110.9000111.6F145 F166 S168 Y169 R173 F174 L175F145-F171 HydrophobicContact CD2-CE2 4.32Å; F145-F171 AromaticContact CE2-CE2 3.82Å; F145-F171 HydrophobicContact CE2-CE2 3.82Å; F145-F171 HydrophobicContact CE2-CZ 4.42Å; F166-F171 HydrophobicContact CB-CD1 4.08Å; F166-F171 HydrophobicContact CB-CE1 4Å; F166-F171 HydrophobicContact CD1-CD1 4.19Å; F166-F171 AromaticContact CD1-CE1 3.68Å; F166-F171 HydrophobicContact CD1-CE1 3.68Å; F166-F171 HydrophobicContact CD1-CE2 4.44Å; F166-F171 AromaticContact CD1-CZ 3.83Å; F166-F171 HydrophobicContact CD1-CZ 3.83Å; F166-F171 HydrophobicContact CE1-CZ 4.44Å; F166-F171 HydrophobicContact CG-CE1 4.29Å; F166-F171 VanDerWaalsContact O-CD1 3.31Å; F166-F171 WeakPolarHBondContact O-CD1 3.3Å; S168-F171 PolarHBondContact O-N 3.32Å; S168-F171 VanDerWaalsContact OG-CB 3.26Å; S168-F171 WeakPolarHBondContact OG-CB 3.44Å; S168-F171 PolarHBondContact OG-N 3.27Å; Y169-F171 PolarHBondContact O-N 3.26Å; F171-R173 PolarHBondContact O-N 3.36Å; F171-F174 PolarHBondContact O-N 3.39Å; F171-L175 HydrophobicContact CD1-CD1 3.93Å; F171-L175 HydrophobicContact CD1-CG 4.33Å; F171-L175 HydrophobicContact CE1-CD1 3.52Å; F171-L175 HydrophobicContact CE1-CD2 4.42Å; F171-L175 HydrophobicContact CE1-CG 4.1Å; F171-L175 HydrophobicContact CE2-CD2 4.33Å; F171-L175 HydrophobicContact CZ-CD1 3.97Å; F171-L175 HydrophobicContact CZ-CD2 4.05Å; F171-L175 HydrophobicContact CZ-CG 4.21Å; F171-L175 WeakPolarHBondContact O-CG 3.39Å; F171-L175 PolarHBondContact O-N 3Å
172K85.9Confident84.5Confident104 Ų10457 Ų5745%0.45227%0.272SS..Hα-helixtrans-58.6-48.3176-177.3177.3173.4-179.20111.6S168 Y169 F174 L175 E176S168-K172 WeakPolarHBondContact O-CB 3.12Å; S168-K172 PolarHBondContact O-N 3.03Å; Y169-K172 PolarHBondContact O-N 3.04Å; K172-F174 PolarHBondContact O-N 3.43Å; K172-L175 PolarHBondContact O-N 2.97Å; K172-E176 WeakPolarHBondContact CE-OE1 3.48Å; K172-E176 IonicContact NZ-OE1 3.05Å; K172-E176 WeakPolarHBondContact O-CG 3.16Å; K172-E176 PolarHBondContact O-N 3.14Å
173R88.9Confident84.8Confident113 Ų11355.9 Ų55.943%0.42627%0.265SS..Hα-helixtrans-57.6-47.2175-87.7-165.961.7161.2-1.8112.1Y169 E170 F171 L175 E176 E177Y169-R173 HydrophobicContact CD1-CG 4.29Å; Y169-R173 HydrophobicContact CD2-CG 4.38Å; Y169-R173 HydrophobicContact CE1-CG 3.85Å; Y169-R173 HydrophobicContact CE2-CG 3.93Å; Y169-R173 WeakPolarHBondContact O-CB 3.33Å; Y169-R173 PolarHBondContact O-N 3.43Å; Y169-R173 WeakPolarHBondContact OH-CD 3.38Å; E170-R173 PolarHBondContact O-N 3.14Å; F171-R173 PolarHBondContact O-N 3.36Å; R173-L175 VanDerWaalsContact C-N 3.27Å; R173-L175 PolarHBondContact O-N 3.37Å; R173-E176 PolarHBondContact O-N 3.35Å; R173-E177 IonicContact CZ-OE1 2.7Å; R173-E177 IonicContact NE-OE1 2.95Å; R173-E177 PolarHBondContact NE-OE1 3.28Å; R173-E177 IonicContact NH2-OE1 2.71Å; R173-E177 PolarHBondContact NH2-OE1 2.81Å; R173-E177 WeakPolarHBondContact O-CB 3.36Å; R173-E177 VanDerWaalsContact O-CG 3.3Å; R173-E177 WeakPolarHBondContact O-CG 3.47Å; R173-E177 PolarHBondContact O-N 3.14Å
174F88.2Confident84.6Confident14 Ų1458.3 Ų58.36%0.06127%0.274CS..Hα-helixtrans-57.6-42.3177.8170.9-91.1000111.4G142 F149 Y154 E170 F171 K172 H178 I180G142-F174 VanDerWaalsContact CA-CD1 3.47Å; G142-F174 VanDerWaalsContact CA-CG 3.48Å; G142-F174 WeakPolarHBondContact O-CZ 3.11Å; F149-F174 HydrophobicContact CD2-CE1 4.44Å; F149-F174 HydrophobicContact CD2-CZ 4.1Å; F149-F174 AromaticContact CE2-CE1 3.94Å; F149-F174 HydrophobicContact CE2-CE1 3.94Å; F149-F174 HydrophobicContact CE2-CZ 4.05Å; Y154-F174 HydrophobicContact CE1-CZ 4.24Å; E170-F174 WeakPolarHBondContact O-CB 3.31Å; E170-F174 PolarHBondContact O-N 3.28Å; F171-F174 PolarHBondContact O-N 3.39Å; K172-F174 PolarHBondContact O-N 3.43Å; F174-H178 AromaticContact CD2-CE1 3.41Å; F174-H178 VanDerWaalsContact CD2-CE1 3.41Å; F174-H178 WeakPolarHBondContact CD2-CE1 3.34Å; F174-H178 AromaticContact CD2-ND1 3.53Å; F174-H178 AromaticContact CE2-CE1 3.23Å; F174-H178 WeakPolarHBondContact CE2-CE1 3.38Å; F174-H178 AromaticContact CE2-ND1 3.48Å; F174-H178 WeakPolarHBondContact CE2-ND1 3.47Å; F174-H178 AromaticContact CG-ND1 3.94Å; F174-H178 AromaticContact CZ-CE1 3.95Å; F174-H178 AromaticContact CZ-ND1 3.83Å; F174-H178 PolarHBondContact O-N 3.45Å; F174-H178 PolarHBondContact O-ND1 3.24Å; F174-I180 HydrophobicContact CE1-CD1 4.48Å
175L91Very high84Confident3 Ų357.7 Ų57.72%0.01628%0.276CS..Hα-helixtrans-66.3-42177.1-63.9-175.3000112.1I158 F171 K172 R173 H178 A179 I180 H182I158-L175 HydrophobicContact CD1-CD2 3.82Å; F171-L175 HydrophobicContact CD1-CD1 3.93Å; F171-L175 HydrophobicContact CD1-CG 4.33Å; F171-L175 HydrophobicContact CE1-CD1 3.52Å; F171-L175 HydrophobicContact CE1-CD2 4.42Å; F171-L175 HydrophobicContact CE1-CG 4.1Å; F171-L175 HydrophobicContact CE2-CD2 4.33Å; F171-L175 HydrophobicContact CZ-CD1 3.97Å; F171-L175 HydrophobicContact CZ-CD2 4.05Å; F171-L175 HydrophobicContact CZ-CG 4.21Å; F171-L175 WeakPolarHBondContact O-CG 3.39Å; F171-L175 PolarHBondContact O-N 3Å; K172-L175 PolarHBondContact O-N 2.97Å; R173-L175 VanDerWaalsContact C-N 3.27Å; R173-L175 PolarHBondContact O-N 3.37Å; L175-H178 CarbonylContact O-C 3.25Å; L175-H178 PolarHBondContact O-N 2.82Å; L175-A179 PolarHBondContact O-N 3.32Å; L175-A179 VanDerWaalsContact O-N 3.12Å; L175-I180 HydrophobicContact CB-CB 4.23Å; L175-I180 HydrophobicContact CD2-CB 3.9Å; L175-I180 HydrophobicContact CD2-CD1 3.91Å; L175-I180 HydrophobicContact CD2-CG1 4.48Å; L175-I180 HydrophobicContact CD2-CG2 3.88Å; L175-I180 PolarHBondContact O-N 3.47Å; L175-H182 HydrophobicContact CD1-CB 3.47Å; L175-H182 VanDerWaalsContact CD1-CB 3.47Å; L175-H182 VanDerWaalsContact CD1-CG 3.46Å
176E91.5Very high83.2Confident118 Ų11858.2 Ų58.255%0.55128%0.281SS*.Hα-helixtrans-62.8-45.6176.4-71.5171.6175.900112.1K172 R173 H178 A179K172-E176 WeakPolarHBondContact CE-OE1 3.48Å; K172-E176 IonicContact NZ-OE1 3.05Å; K172-E176 WeakPolarHBondContact O-CG 3.16Å; K172-E176 PolarHBondContact O-N 3.14Å; R173-E176 PolarHBondContact O-N 3.35Å; E176-H178 PolarHBondContact O-N 2.86Å; E176-A179 PolarHBondContact O-N 3.46Å; E176-A179 VanDerWaalsContact O-N 3.09Å
177E92.7Very high81.9Confident119 Ų11963.9 Ų63.956%0.55631%0.311SS*.Hα-helixtrans-60.8-29.7178.3-75.2170.4-172.500112.8R173R173-E177 IonicContact CZ-OE1 2.7Å; R173-E177 IonicContact NE-OE1 2.95Å; R173-E177 PolarHBondContact NE-OE1 3.28Å; R173-E177 IonicContact NH2-OE1 2.71Å; R173-E177 PolarHBondContact NH2-OE1 2.81Å; R173-E177 WeakPolarHBondContact O-CB 3.36Å; R173-E177 VanDerWaalsContact O-CG 3.3Å; R173-E177 WeakPolarHBondContact O-CG 3.47Å; R173-E177 PolarHBondContact O-N 3.14Å
178H91.7Very high80.7Confident56 Ų5668.9 Ų68.926%0.25933%0.325SS..THydrogen-bonded Turntrans-102.311.5179-61.691000113.3Y154 F174 L175 E176 I180Y154-H178 HydrophobicContact CD1-CB 4.1Å; Y154-H178 HydrophobicContact CE1-CB 4.16Å; Y154-H178 AromaticContact CE1-CD2 3.37Å; Y154-H178 WeakPolarHBondContact CE1-CD2 3.28Å; Y154-H178 AromaticContact CE1-CG 3.76Å; Y154-H178 AromaticContact CE1-NE2 3.92Å; Y154-H178 AromaticContact CE2-CD2 3.6Å; Y154-H178 HydrophobicContact CG-CB 4.35Å; Y154-H178 AromaticContact CZ-CD2 3.08Å; Y154-H178 AromaticContact CZ-CG 3.93Å; Y154-H178 AromaticContact CZ-NE2 3.57Å; Y154-H178 PolarHBondContact OH-CD2 3.16Å; Y154-H178 PolarHBondContact OH-NE2 3.09Å; F174-H178 AromaticContact CD2-CE1 3.41Å; F174-H178 VanDerWaalsContact CD2-CE1 3.41Å; F174-H178 WeakPolarHBondContact CD2-CE1 3.34Å; F174-H178 AromaticContact CD2-ND1 3.53Å; F174-H178 AromaticContact CE2-CE1 3.23Å; F174-H178 WeakPolarHBondContact CE2-CE1 3.38Å; F174-H178 AromaticContact CE2-ND1 3.48Å; F174-H178 WeakPolarHBondContact CE2-ND1 3.47Å; F174-H178 AromaticContact CG-ND1 3.94Å; F174-H178 AromaticContact CZ-CE1 3.95Å; F174-H178 AromaticContact CZ-ND1 3.83Å; F174-H178 PolarHBondContact O-N 3.45Å; F174-H178 PolarHBondContact O-ND1 3.24Å; L175-H178 CarbonylContact O-C 3.25Å; L175-H178 PolarHBondContact O-N 2.82Å; E176-H178 PolarHBondContact O-N 2.86Å; H178-I180 HydrophobicContact CB-CD1 3.9Å; H178-I180 HydrophobicContact CB-CG1 3.93Å; H178-I180 PolarHBondContact O-N 3.08Å
179A94Very high79.8Confident86 Ų8671.5 Ų71.571%0.71133%0.334SS*.THydrogen-bonded Turntrans54.533.4-179.100000114.4L175 E176L175-A179 PolarHBondContact O-N 3.32Å; L175-A179 VanDerWaalsContact O-N 3.12Å; E176-A179 PolarHBondContact O-N 3.46Å; E176-A179 VanDerWaalsContact O-N 3.09Å
180I93.3Very high78.7Confident8 Ų866.4 Ų66.44%0.04132%0.317CS..PPolyproline II helixtrans-93.5122.3179-53.8175.1000109.1F149 Y154 P155 I158 F174 L175 H178 H182F149-I180 HydrophobicContact CE2-CD1 4.49Å; Y154-I180 HydrophobicContact CD1-CD1 3.87Å; Y154-I180 HydrophobicContact CG-CD1 4.42Å; P155-I180 HydrophobicContact CG-CG2 4.37Å; I158-I180 HydrophobicContact CB-CG2 4.16Å; I158-I180 HydrophobicContact CD1-CD1 4.36Å; I158-I180 HydrophobicContact CD1-CG2 3.81Å; I158-I180 HydrophobicContact CG1-CG2 3.67Å; F174-I180 HydrophobicContact CE1-CD1 4.48Å; L175-I180 HydrophobicContact CB-CB 4.23Å; L175-I180 HydrophobicContact CD2-CB 3.9Å; L175-I180 HydrophobicContact CD2-CD1 3.91Å; L175-I180 HydrophobicContact CD2-CG1 4.48Å; L175-I180 HydrophobicContact CD2-CG2 3.88Å; L175-I180 PolarHBondContact O-N 3.47Å; H178-I180 HydrophobicContact CB-CD1 3.9Å; H178-I180 HydrophobicContact CB-CG1 3.93Å; H178-I180 PolarHBondContact O-N 3.08Å; I180-H182 PolarHBondContact O-N 2.89Å
181R90.7Very high77.9Confident147 Ų14765.3 Ų65.356%0.55531%0.312SS*.EExtended strand (participates in β ladder)trans-73.5124.8175.8-65.1-173-62.8106.16.2110.4N156 E157 I158N156-R181 WeakPolarHBondContact O-CB 3.24Å; N156-R181 PolarHBondContact O-N 3.08Å; E157-R181 CarbonylContact C-O 3.53Å; E157-R181 VanDerWaalsContact CA-O 3.3Å; E157-R181 WeakPolarHBondContact CA-O 3.42Å; E157-R181 HydrophobicContact CB-CB 4.46Å; E157-R181 HydrophobicContact CG-CB 4.33Å; E157-R181 IonicContact OE2-CZ 2.77Å; E157-R181 IonicContact OE2-NH1 3.87Å; E157-R181 PolarHBondContact OE2-NH1 2.86Å; E157-R181 IonicContact OE2-NH2 3.97Å; E157-R181 PolarHBondContact OE2-NH2 3.43Å; I158-R181 PolarHBondContact N-O 2.83Å
182H88.2Confident77Confident48 Ų4865.9 Ų65.922%0.22232%0.317CS..EExtended strand (participates in β ladder)trans-93.6129.3175.4-166.3-159.6000111.6T160 F166 L175 I180 E184T160-H182 PolarHBondContact OG1-NE2 3.02Å; F166-H182 PolarHBondContact O-CE1 3.11Å; L175-H182 HydrophobicContact CD1-CB 3.47Å; L175-H182 VanDerWaalsContact CD1-CB 3.47Å; L175-H182 VanDerWaalsContact CD1-CG 3.46Å; I180-H182 PolarHBondContact O-N 2.89Å; H182-E184 WeakPolarHBondContact CE1-CG 3.49Å; H182-E184 IonicContact CE1-OE1 3.44Å; H182-E184 IonicContact ND1-OE1 3.22Å
183N79.7Confident76.4Confident28 Ų2862.8 Ų62.815%0.1531%0.305CS..EExtended strand (participates in β ladder)trans-11894.2175-168.7-13.7000110E157 I158 V159 T160 T185 Y189E157-N183 HydrophobicContact CG-CB 4.48Å; E157-N183 PolarHBondContact OE1-ND2 3.1Å; E157-N183 VanDerWaalsContact OE1-ND2 3.1Å; I158-N183 PolarHBondContact O-N 2.98Å; V159-N183 HydrophobicContact CG2-CB 4.24Å; T160-N183 PolarHBondContact N-O 3.01Å; N183-T185 VanDerWaalsContact C-N 3.27Å; N183-T185 PolarHBondContact O-N 2.8Å; N183-T185 PolarHBondContact OD1-N 3.17Å; N183-Y189 WeakPolarHBondContact ND2-CD2 3.4Å; N183-Y189 WeakPolarHBondContact ND2-CE2 3.42Å
184E69Low75.6Confident61 Ų6158.5 Ų58.529%0.28530%0.297SS..  trans-73.5-17.1-178.9-67.2-178.1-169.900113.4N162 H182 S186N162-E184 PolarHBondContact ND2-O 3.3Å; H182-E184 WeakPolarHBondContact CE1-CG 3.49Å; H182-E184 IonicContact CE1-OE1 3.44Å; H182-E184 IonicContact ND1-OE1 3.22Å; E184-S186 PolarHBondContact O-N 3.26Å
185T58.4Low75.1Confident46 Ų4663 Ų6328%0.28232%0.318SS..  trans-92.375.3-163.8-41.90000111.4N183 L187 Y188 Y189N183-T185 VanDerWaalsContact C-N 3.27Å; N183-T185 PolarHBondContact O-N 2.8Å; N183-T185 PolarHBondContact OD1-N 3.17Å; T185-L187 HydrophobicContact CG2-CB 3.95Å; T185-L187 PolarHBondContact O-N 2.82Å; T185-Y188 HydrophobicContact CG2-CD2 3.11Å; T185-Y188 HydrophobicContact CG2-CE2 3.48Å; T185-Y188 VanDerWaalsContact CG2-CE2 3.48Å; T185-Y188 HydrophobicContact CG2-CG 4.01Å; T185-Y188 PolarHBondContact O-N 3.21Å; T185-Y189 PolarHBondContact O-N 3.22Å
186S57.9Low74.6Confident30 Ų3064 Ų6421%0.2132%0.323CS..THydrogen-bonded Turntrans-55.4-22.1171.765.60000113.3E184 Y188 Y189 P190E184-S186 PolarHBondContact O-N 3.26Å; S186-Y188 VanDerWaalsContact C-N 3.33Å; S186-Y188 PolarHBondContact O-N 3.28Å; S186-Y189 CarbonylContact O-C 3.6Å; S186-Y189 VanDerWaalsContact O-C 3.25Å; S186-Y189 PolarHBondContact O-N 2.81Å; S186-P190 VanDerWaalsContact O-N 3.15Å
187L51.4Low74Confident119 Ų11962.7 Ų62.762%0.62332%0.317SS*.THydrogen-bonded Turntrans-62-36.3173.6-69.4170.9000113.1T185 P190T185-L187 HydrophobicContact CG2-CB 3.95Å; T185-L187 PolarHBondContact O-N 2.82Å; L187-P190 WeakPolarHBondContact O-CD 3.11Å
188Y52Low73.5Confident156 Ų15662.8 Ų62.861%0.61231%0.312SS*.THydrogen-bonded Turntrans-86.2-15.3177.3-65.6-59.4000112.6Q116 T185 S186Q116-Y188 PolarHBondContact OE1-O 2.73Å; T185-Y188 HydrophobicContact CG2-CD2 3.11Å; T185-Y188 HydrophobicContact CG2-CE2 3.48Å; T185-Y188 VanDerWaalsContact CG2-CE2 3.48Å; T185-Y188 HydrophobicContact CG2-CG 4.01Å; T185-Y188 PolarHBondContact O-N 3.21Å; S186-Y188 VanDerWaalsContact C-N 3.33Å; S186-Y188 PolarHBondContact O-N 3.28Å
189Y59.1Low73.2Confident66 Ų6662.7 Ų62.726%0.25931%0.311SS..  trans-127.553.8177.6-64.1-72.7000113.9L118 N183 T185 S186 Q191 A192 N193L118-Y189 HydrophobicContact CD1-CD1 3.16Å; L118-Y189 HydrophobicContact CD1-CE1 3.53Å; L118-Y189 HydrophobicContact CD1-CG 4.15Å; N183-Y189 WeakPolarHBondContact ND2-CD2 3.4Å; N183-Y189 WeakPolarHBondContact ND2-CE2 3.42Å; T185-Y189 PolarHBondContact O-N 3.22Å; S186-Y189 CarbonylContact O-C 3.6Å; S186-Y189 VanDerWaalsContact O-C 3.25Å; S186-Y189 PolarHBondContact O-N 2.81Å; Y189-Q191 PolarHBondContact O-N 3.2Å; Y189-A192 PolarHBondContact O-N 3.07Å; Y189-A192 VanDerWaalsContact O-N 3.07Å; Y189-N193 PolarHBondContact O-N 2.92Å
190P60.6Low72.8Confident26 Ų2659.7 Ų59.717%0.16928%0.283CS..Hα-helixtrans-62.8-15.5-177.712.1-14000113.2A113 S186 L187 G194A113-P190 HydrophobicContact CB-CB 3.64Å; A113-P190 HydrophobicContact CB-CG 4.05Å; S186-P190 VanDerWaalsContact O-N 3.15Å; L187-P190 WeakPolarHBondContact O-CD 3.11Å; P190-G194 WeakPolarHBondContact O-CA 3.48Å; P190-G194 PolarHBondContact O-N 3.46Å
191Q66.7Low72.4Confident23 Ų2363 Ų6311%0.10730%0.295CS..Hα-helixtrans-82.7-36.4177.2-51.374.127.500112P114 L115 Q116 L118 Y189 N193 G194 E195P114-Q191 PolarHBondContact O-NE2 3.47Å; L115-Q191 HydrophobicContact CD2-CG 4.17Å; Q116-Q191 WeakPolarHBondContact O-CG 3.49Å; Q116-Q191 PolarHBondContact O-NE2 2.85Å; Q116-Q191 VanDerWaalsContact O-NE2 3.16Å; Q116-Q191 PolarHBondContact O-OE1 3.1Å; Q116-Q191 VanDerWaalsContact O-OE1 3.07Å; L118-Q191 HydrophobicContact CB-CB 4.38Å; Y189-Q191 PolarHBondContact O-N 3.2Å; Q191-N193 VanDerWaalsContact C-N 3.3Å; Q191-G194 CarbonylContact O-C 3.56Å; Q191-G194 PolarHBondContact O-N 2.86Å; Q191-G194 VanDerWaalsContact O-N 3.17Å; Q191-E195 WeakPolarHBondContact O-CG 3.4Å; Q191-E195 PolarHBondContact O-N 2.8Å
192A66.7Low72.2Confident13 Ų1356.6 Ų56.611%0.10727%0.272CS..Hα-helixtrans-60.5-46.9172.400000109.3L118 V159 Y189 G194 E195 I196L118-A192 HydrophobicContact CD2-CB 4.03Å; V159-A192 HydrophobicContact CG1-CB 4.23Å; Y189-A192 PolarHBondContact O-N 3.07Å; Y189-A192 VanDerWaalsContact O-N 3.07Å; A192-G194 VanDerWaalsContact C-N 3.34Å; A192-G194 PolarHBondContact O-N 2.78Å; A192-E195 PolarHBondContact O-N 3.1Å; A192-I196 WeakPolarHBondContact O-CG1 3.39Å; A192-I196 PolarHBondContact O-N 2.85Å
193N71.7Confident72.3Confident38 Ų3856.2 Ų56.220%0.20327%0.271CS..Hα-helixtrans-63.3-40.7172.8-153.458.1000111.8Y189 Q191 E195 I196 E197Y189-N193 PolarHBondContact O-N 2.92Å; Q191-N193 VanDerWaalsContact C-N 3.3Å; N193-E195 VanDerWaalsContact C-N 3.34Å; N193-E195 PolarHBondContact O-N 3.05Å; N193-I196 CarbonylContact O-C 3.57Å; N193-I196 PolarHBondContact O-N 3.47Å; N193-E197 PolarHBondContact ND2-OE1 3.26Å; N193-E197 WeakPolarHBondContact O-CB 3.21Å; N193-E197 VanDerWaalsContact O-CG 3.31Å; N193-E197 WeakPolarHBondContact O-CG 3.37Å; N193-E197 PolarHBondContact O-N 3Å
194G72.7Confident72.7Confident24 Ų2460.6 Ų60.625%0.24729%0.289CS..Hα-helixtrans-62.5-34.7178.600000114.3P190 Q191 A192 R198P190-G194 WeakPolarHBondContact O-CA 3.48Å; P190-G194 PolarHBondContact O-N 3.46Å; Q191-G194 CarbonylContact O-C 3.56Å; Q191-G194 PolarHBondContact O-N 2.86Å; Q191-G194 VanDerWaalsContact O-N 3.17Å; A192-G194 VanDerWaalsContact C-N 3.34Å; A192-G194 PolarHBondContact O-N 2.78Å; G194-R198 VanDerWaalsContact O-CB 3.27Å; G194-R198 WeakPolarHBondContact O-CB 3.24Å; G194-R198 PolarHBondContact O-N 2.84Å
195E78.2Confident73.6Confident108 Ų10859.8 Ų59.851%0.50529%0.287SS..Hα-helixtrans-71.2-39.3173.4-71.4-53.8129.200111.5Q191 A192 N193 R198 F199Q191-E195 WeakPolarHBondContact O-CG 3.4Å; Q191-E195 PolarHBondContact O-N 2.8Å; A192-E195 PolarHBondContact O-N 3.1Å; N193-E195 VanDerWaalsContact C-N 3.34Å; N193-E195 PolarHBondContact O-N 3.05Å; E195-R198 WeakPolarHBondContact O-CB 3.4Å; E195-R198 PolarHBondContact O-N 2.65Å; E195-F199 PolarHBondContact O-N 3.26Å
196I80.5Confident75.1Confident25 Ų2557.7 Ų57.713%0.12827%0.274CS..Hα-helixtrans-63.3-45.9172.6-60.5166.5000110.5D131 A192 N193 R198 F199 N200D131-I196 HydrophobicContact CB-CG2 3.41Å; D131-I196 VanDerWaalsContact CB-CG2 3.41Å; A192-I196 WeakPolarHBondContact O-CG1 3.39Å; A192-I196 PolarHBondContact O-N 2.85Å; N193-I196 CarbonylContact O-C 3.57Å; N193-I196 PolarHBondContact O-N 3.47Å; I196-R198 VanDerWaalsContact C-N 3.3Å; I196-R198 PolarHBondContact O-N 2.77Å; I196-F199 CarbonylContact O-C 3.6Å; I196-F199 WeakPolarHBondContact O-CB 3.49Å; I196-F199 PolarHBondContact O-N 3.38Å; I196-F199 VanDerWaalsContact O-N 3.11Å; I196-N200 WeakPolarHBondContact O-CB 3.49Å; I196-N200 VanDerWaalsContact O-CG 3.27Å; I196-N200 PolarHBondContact O-N 3.4Å
197E78.3Confident76.6Confident89 Ų8958.8 Ų58.842%0.41628%0.278SS..Hα-helixtrans-59.3-40.3175.4-74.6174.6-158.100111.9N193 N200 R201N193-E197 PolarHBondContact ND2-OE1 3.26Å; N193-E197 WeakPolarHBondContact O-CB 3.21Å; N193-E197 VanDerWaalsContact O-CG 3.31Å; N193-E197 WeakPolarHBondContact O-CG 3.37Å; N193-E197 PolarHBondContact O-N 3Å; E197-N200 PolarHBondContact O-N 2.87Å; E197-R201 PolarHBondContact O-N 3.27Å
198R82.2Confident78.4Confident121 Ų12155.1 Ų55.146%0.45726%0.257SS..Hα-helixtrans-65.2-39.7175174.5177.4-67.5-100-0.5111.7G194 E195 I196 T202G194-R198 VanDerWaalsContact O-CB 3.27Å; G194-R198 WeakPolarHBondContact O-CB 3.24Å; G194-R198 PolarHBondContact O-N 2.84Å; E195-R198 WeakPolarHBondContact O-CB 3.4Å; E195-R198 PolarHBondContact O-N 2.65Å; I196-R198 VanDerWaalsContact C-N 3.3Å; I196-R198 PolarHBondContact O-N 2.77Å; R198-T202 PolarHBondContact O-N 3.03Å; R198-T202 PolarHBondContact O-OG1 2.81Å
199F86.9Confident80.2Confident54 Ų5447.8 Ų47.824%0.23723%0.229CC..Hα-helixtrans-66.9-47173.7176.9-103.5000111.2E195 I196 R201 T202 L203 L225 Y228E195-F199 PolarHBondContact O-N 3.26Å; I196-F199 CarbonylContact O-C 3.6Å; I196-F199 WeakPolarHBondContact O-CB 3.49Å; I196-F199 PolarHBondContact O-N 3.38Å; I196-F199 VanDerWaalsContact O-N 3.11Å; F199-R201 VanDerWaalsContact C-N 3.27Å; F199-R201 PolarHBondContact O-N 3.45Å; F199-T202 CarbonylContact O-C 3.51Å; F199-T202 WeakPolarHBondContact O-CA 3.27Å; F199-T202 WeakPolarHBondContact O-CB 3.45Å; F199-T202 PolarHBondContact O-N 3.35Å; F199-L203 PolarHBondContact O-N 3.43Å; F199-L225 HydrophobicContact CZ-CD2 3.93Å; F199-Y228 HydrophobicContact CD2-CD1 4.26Å; F199-Y228 HydrophobicContact CD2-CD2 4.46Å; F199-Y228 AromaticContact CD2-CE1 3.78Å; F199-Y228 HydrophobicContact CD2-CE1 3.78Å; F199-Y228 HydrophobicContact CD2-CE2 4.01Å; F199-Y228 AromaticContact CD2-CZ 3.64Å; F199-Y228 AromaticContact CE2-CD1 3.78Å; F199-Y228 HydrophobicContact CE2-CD1 3.78Å; F199-Y228 HydrophobicContact CE2-CD2 4.38Å; F199-Y228 AromaticContact CE2-CE1 3.74Å; F199-Y228 HydrophobicContact CE2-CE1 3.74Å; F199-Y228 HydrophobicContact CE2-CE2 4.34Å; F199-Y228 HydrophobicContact CE2-CG 4.1Å
200N84.9Confident81.6Confident23 Ų2344.7 Ų44.712%0.12322%0.217CC..Hα-helixtrans-57.5-38.8176.3-75.4-15.9000112.4D131 I196 E197 L203 K204D131-N200 PolarHBondContact OD2-ND2 3.38Å; I196-N200 WeakPolarHBondContact O-CB 3.49Å; I196-N200 VanDerWaalsContact O-CG 3.27Å; I196-N200 PolarHBondContact O-N 3.4Å; E197-N200 PolarHBondContact O-N 2.87Å; N200-L203 PolarHBondContact O-N 3.32Å; N200-K204 WeakPolarHBondContact O-CB 3.31Å; N200-K204 VanDerWaalsContact O-CG 3.25Å; N200-K204 WeakPolarHBondContact O-CG 3.45Å; N200-K204 PolarHBondContact O-N 3.34Å
201R84.4Confident83Confident79 Ų7948.8 Ų48.830%0.29823%0.234SC..Hα-helixtrans-59.9-47.6171.1-176.5176.461.1-129.1-6.9111.1I107 E197 F199 L203 K204 D205I107-R201 HydrophobicContact CD1-CG 4.24Å; E197-R201 PolarHBondContact O-N 3.27Å; F199-R201 VanDerWaalsContact C-N 3.27Å; F199-R201 PolarHBondContact O-N 3.45Å; R201-L203 VanDerWaalsContact C-N 3.28Å; R201-L203 PolarHBondContact O-N 3.23Å; R201-K204 PolarHBondContact O-N 3.07Å; R201-D205 WeakPolarHBondContact O-CB 3.44Å; R201-D205 PolarHBondContact O-N 3.36Å
202T87.5Confident84.1Confident11 Ų1150 Ų507%0.06724%0.241CC..Hα-helixtrans-56.6-44.7175.8-49.20000111.4Q69 R73 R198 F199 D205 A206 L224Q69-T202 HydrophobicContact CG-CG2 4.29Å; R73-T202 PolarHBondContact NH1-OG1 3.33Å; R73-T202 PolarHBondContact NH2-OG1 3.06Å; R198-T202 PolarHBondContact O-N 3.03Å; R198-T202 PolarHBondContact O-OG1 2.81Å; F199-T202 CarbonylContact O-C 3.51Å; F199-T202 WeakPolarHBondContact O-CA 3.27Å; F199-T202 WeakPolarHBondContact O-CB 3.45Å; F199-T202 PolarHBondContact O-N 3.35Å; T202-D205 PolarHBondContact O-N 2.64Å; T202-A206 WeakPolarHBondContact O-CB 3.47Å; T202-A206 PolarHBondContact O-N 3.16Å; T202-L224 HydrophobicContact CG2-CD1 4.16Å
203L89.7Confident85Confident40 Ų4053.9 Ų53.921%0.20925%0.252CS..Hα-helixtrans-62.3-46.3178.7179.161.9000111.3F199 N200 R201 A206 L207 M221 L224F199-L203 PolarHBondContact O-N 3.43Å; N200-L203 PolarHBondContact O-N 3.32Å; R201-L203 VanDerWaalsContact C-N 3.28Å; R201-L203 PolarHBondContact O-N 3.23Å; L203-A206 PolarHBondContact O-N 3.4Å; L203-L207 HydrophobicContact CD1-CD1 4.27Å; L203-L207 HydrophobicContact CD1-CG 4.38Å; L203-L207 HydrophobicContact CG-CD1 4.13Å; L203-L207 VanDerWaalsContact O-CG 3.28Å; L203-L207 WeakPolarHBondContact O-CG 3.41Å; L203-L207 PolarHBondContact O-N 3.48Å; L203-M221 HydrophobicContact CD1-CG 4.15Å; L203-L224 HydrophobicContact CB-CD2 4.39Å; L203-L224 HydrophobicContact CD1-CD2 3.67Å
204K87.2Confident85.8Confident120 Ų12059.3 Ų59.352%0.52228%0.281SS..Hα-helixtrans-61.7-46.3176.9-72.8172.6-178.1178.80111.8I107 N200 R201 A206 L207 Q208I107-K204 HydrophobicContact CD1-CB 3.61Å; I107-K204 HydrophobicContact CD1-CD 4.35Å; N200-K204 WeakPolarHBondContact O-CB 3.31Å; N200-K204 VanDerWaalsContact O-CG 3.25Å; N200-K204 WeakPolarHBondContact O-CG 3.45Å; N200-K204 PolarHBondContact O-N 3.34Å; R201-K204 PolarHBondContact O-N 3.07Å; K204-A206 VanDerWaalsContact C-N 3.3Å; K204-A206 PolarHBondContact O-N 3.17Å; K204-L207 PolarHBondContact O-N 2.84Å; K204-Q208 WeakPolarHBondContact O-CB 3.24Å; K204-Q208 PolarHBondContact O-N 2.99Å
205D88.1Confident86.6Confident44 Ų4464.1 Ų64.124%0.23529%0.292CS..Hα-helixtrans-57.8-44.7177.3-64.6-18.5000110.8M104 I107 R201 T202 Q208 A209M104-D205 WeakPolarHBondContact CE-O 3.28Å; M104-D205 HydrophobicContact SD-CB 4.24Å; I107-D205 WeakPolarHBondContact CD1-OD1 3.41Å; R201-D205 WeakPolarHBondContact O-CB 3.44Å; R201-D205 PolarHBondContact O-N 3.36Å; T202-D205 PolarHBondContact O-N 2.64Å; D205-Q208 PolarHBondContact O-N 2.92Å; D205-A209 PolarHBondContact O-N 3.44Å
206A89.8Confident87.2Confident3 Ų362 Ų623%0.02529%0.289CS..Hα-helixtrans-67.1-38.6178.100000113T202 L203 K204 A209 A210 L224T202-A206 WeakPolarHBondContact O-CB 3.47Å; T202-A206 PolarHBondContact O-N 3.16Å; L203-A206 PolarHBondContact O-N 3.4Å; K204-A206 VanDerWaalsContact C-N 3.3Å; K204-A206 PolarHBondContact O-N 3.17Å; A206-A209 VanDerWaalsContact O-CB 3.26Å; A206-A209 WeakPolarHBondContact O-CB 3.25Å; A206-A209 PolarHBondContact O-N 3Å; A206-A210 PolarHBondContact O-N 3.42Å; A206-L224 HydrophobicContact CB-CB 4.31Å; A206-L224 HydrophobicContact CB-CD1 3.76Å; A206-L224 HydrophobicContact CB-CD2 3.54Å; A206-L224 HydrophobicContact CB-CG 4.04Å
207L90.1Very high87.5Confident53 Ų5366.6 Ų66.628%0.27731%0.308SS..Hα-helixtrans-68.2-35.6174.7-70.5173.1000111.8L203 K204 A210 Q211 K217L203-L207 HydrophobicContact CD1-CD1 4.27Å; L203-L207 HydrophobicContact CD1-CG 4.38Å; L203-L207 HydrophobicContact CG-CD1 4.13Å; L203-L207 VanDerWaalsContact O-CG 3.28Å; L203-L207 WeakPolarHBondContact O-CG 3.41Å; L203-L207 PolarHBondContact O-N 3.48Å; K204-L207 PolarHBondContact O-N 2.84Å; L207-A210 WeakPolarHBondContact O-CB 3.18Å; L207-A210 PolarHBondContact O-N 3.3Å; L207-Q211 PolarHBondContact O-N 3.07Å; L207-K217 HydrophobicContact CD2-CB 4.07Å; L207-K217 HydrophobicContact CD2-CG 4.35Å
208Q89.3Confident88Confident42 Ų4267 Ų6720%0.19631%0.313CS..Hα-helixtrans-65.9-41.1171.9-175.5167.415.200111M104 D105 K204 D205 A210 Q211 I212M104-Q208 HydrophobicContact CG-CG 4.45Å; D105-Q208 PolarHBondContact OD2-NE2 3.39Å; K204-Q208 WeakPolarHBondContact O-CB 3.24Å; K204-Q208 PolarHBondContact O-N 2.99Å; D205-Q208 PolarHBondContact O-N 2.92Å; Q208-A210 VanDerWaalsContact C-N 3.29Å; Q208-A210 PolarHBondContact O-N 3.06Å; Q208-Q211 WeakPolarHBondContact O-CB 3.35Å; Q208-Q211 PolarHBondContact O-N 2.89Å; Q208-Q211 VanDerWaalsContact O-N 3.17Å; Q208-I212 HydrophobicContact CG-CD1 4.05Å; Q208-I212 WeakPolarHBondContact O-CG1 3.41Å; Q208-I212 PolarHBondContact O-N 3.42Å
209A88.5Confident88.4Confident2 Ų266.8 Ų66.82%0.01732%0.32CS..Hα-helixtrans-55.3-45.8171.100000111.8H68 T100 M104 D205 A206 Q211 I212 R213H68-A209 HydrophobicContact CB-CB 3.92Å; T100-A209 HydrophobicContact CG2-CB 3.94Å; M104-A209 HydrophobicContact CE-CB 3.17Å; D205-A209 PolarHBondContact O-N 3.44Å; A206-A209 VanDerWaalsContact O-CB 3.26Å; A206-A209 WeakPolarHBondContact O-CB 3.25Å; A206-A209 PolarHBondContact O-N 3Å; A209-Q211 VanDerWaalsContact C-N 3.31Å; A209-Q211 PolarHBondContact O-N 3.35Å; A209-I212 PolarHBondContact O-N 2.76Å; A209-R213 WeakPolarHBondContact O-CB 3.32Å; A209-R213 VanDerWaalsContact O-CG 3.28Å; A209-R213 WeakPolarHBondContact O-CG 3.26Å; A209-R213 PolarHBondContact O-N 3.11Å
210A90.2Very high88.6Confident1 Ų164.7 Ų64.71%0.00831%0.312CS..Hα-helixtrans-59.4-45.4177.800000110.9A206 L207 Q208 R213 L214 Y215 T220A206-A210 PolarHBondContact O-N 3.42Å; L207-A210 WeakPolarHBondContact O-CB 3.18Å; L207-A210 PolarHBondContact O-N 3.3Å; Q208-A210 VanDerWaalsContact C-N 3.29Å; Q208-A210 PolarHBondContact O-N 3.06Å; A210-R213 CarbonylContact O-C 3.59Å; A210-R213 PolarHBondContact O-N 2.89Å; A210-L214 PolarHBondContact O-N 3.32Å; A210-Y215 PolarHBondContact O-N 2.79Å; A210-T220 HydrophobicContact CB-CG2 3.8Å; A210-T220 VanDerWaalsContact CB-OG1 3.32Å; A210-T220 WeakPolarHBondContact CB-OG1 3.35Å
211Q89.4Confident88.9Confident111 Ų11167.1 Ų67.152%0.51932%0.323SS..Hα-helixtrans-62.3-45.2179.4-169.668.93700111.6L207 Q208 A209 R213 L214L207-Q211 PolarHBondContact O-N 3.07Å; Q208-Q211 WeakPolarHBondContact O-CB 3.35Å; Q208-Q211 PolarHBondContact O-N 2.89Å; Q208-Q211 VanDerWaalsContact O-N 3.17Å; A209-Q211 VanDerWaalsContact C-N 3.31Å; A209-Q211 PolarHBondContact O-N 3.35Å; Q211-R213 VanDerWaalsContact C-N 3.31Å; Q211-R213 PolarHBondContact O-N 3.35Å; Q211-L214 PolarHBondContact O-N 2.94Å
212I89Confident89.2Confident50 Ų5069.5 Ų69.526%0.25634%0.336SS..Hα-helixtrans-63.5-38.3177.3-67.5161.6000111.1T100 Q103 M104 Q208 A209 L214T100-I212 HydrophobicContact CG2-CB 4.34Å; T100-I212 HydrophobicContact CG2-CG2 4.21Å; Q103-I212 HydrophobicContact CB-CD1 3.9Å; Q103-I212 HydrophobicContact CB-CG2 4.3Å; M104-I212 HydrophobicContact CG-CD1 4.05Å; Q208-I212 HydrophobicContact CG-CD1 4.05Å; Q208-I212 WeakPolarHBondContact O-CG1 3.41Å; Q208-I212 PolarHBondContact O-N 3.42Å; A209-I212 PolarHBondContact O-N 2.76Å; I212-L214 VanDerWaalsContact C-N 3.29Å
213R86.8Confident89.5Confident94 Ų9471.7 Ų71.736%0.35535%0.345SS..THydrogen-bonded Turntrans-84.3-1179.9-65.7173.665.21031.3113.8H68 T100 A209 A210 Q211 Y215H68-R213 PolarHBondContact NE2-NH1 2.76Å; T100-R213 HydrophobicContact CG2-CG 3.95Å; A209-R213 WeakPolarHBondContact O-CB 3.32Å; A209-R213 VanDerWaalsContact O-CG 3.28Å; A209-R213 WeakPolarHBondContact O-CG 3.26Å; A209-R213 PolarHBondContact O-N 3.11Å; A210-R213 CarbonylContact O-C 3.59Å; A210-R213 PolarHBondContact O-N 2.89Å; Q211-R213 VanDerWaalsContact C-N 3.31Å; Q211-R213 PolarHBondContact O-N 3.35Å; R213-Y215 HydrophobicContact CB-CD1 4Å; R213-Y215 HydrophobicContact CB-CD2 4.22Å; R213-Y215 HydrophobicContact CB-CE1 4.2Å; R213-Y215 HydrophobicContact CB-CE2 4.42Å; R213-Y215 HydrophobicContact CB-CG 4Å; R213-Y215 VanDerWaalsContact NE-CE2 3.29Å; R213-Y215 PolarHBondContact NH2-OH 3.39Å; R213-Y215 WeakPolarHBondContact O-CD1 3.45Å; R213-Y215 WeakPolarHBondContact O-CE1 3.35Å; R213-Y215 PolarHBondContact O-N 3.18Å
214L88.3Confident89.7Confident152 Ų15269.8 Ų69.880%0.79634%0.336SS*.THydrogen-bonded Turntrans54.837-173.7-54.2176000113.1A210 Q211 I212A210-L214 PolarHBondContact O-N 3.32Å; Q211-L214 PolarHBondContact O-N 2.94Å; I212-L214 VanDerWaalsContact C-N 3.29Å
215Y88.2Confident90Very high124 Ų12465.6 Ų65.649%0.48632%0.319SS..  trans-96154.1179.1-73.75.8000111.6A210 R213 K217A210-Y215 PolarHBondContact O-N 2.79Å; R213-Y215 HydrophobicContact CB-CD1 4Å; R213-Y215 HydrophobicContact CB-CD2 4.22Å; R213-Y215 HydrophobicContact CB-CE1 4.2Å; R213-Y215 HydrophobicContact CB-CE2 4.42Å; R213-Y215 HydrophobicContact CB-CG 4Å; R213-Y215 VanDerWaalsContact NE-CE2 3.29Å; R213-Y215 PolarHBondContact NH2-OH 3.39Å; R213-Y215 WeakPolarHBondContact O-CD1 3.45Å; R213-Y215 WeakPolarHBondContact O-CE1 3.35Å; R213-Y215 PolarHBondContact O-N 3.18Å; Y215-K217 PolarHBondContact O-N 2.83Å
216S91.2Very high90.2Very high64 Ų6467.6 Ų67.645%0.44833%0.327SS..  trans-59.2125.5174172.80000111.3L218 L219 T220S216-L218 VanDerWaalsContact C-N 3.3Å; S216-L218 PolarHBondContact O-N 3.2Å; S216-L219 PolarHBondContact O-N 3.36Å; S216-T220 WeakPolarHBondContact O-CB 3.04Å; S216-T220 PolarHBondContact O-N 3.33Å; S216-T220 PolarHBondContact O-OG1 3.3Å
217K86.5Confident90.4Very high121 Ų12167.5 Ų67.553%0.52633%0.327SS..Hα-helixtrans-58.6-42.2177.5-69.2-179.7-179.3175.50111.5L207 Y215 T220 M221L207-K217 HydrophobicContact CD2-CB 4.07Å; L207-K217 HydrophobicContact CD2-CG 4.35Å; Y215-K217 PolarHBondContact O-N 2.83Å; K217-T220 PolarHBondContact O-N 2.95Å; K217-M221 WeakPolarHBondContact O-CB 3.47Å; K217-M221 PolarHBondContact O-N 3.45Å
218L89.6Confident90.6Very high98 Ų9868 Ų6851%0.51333%0.325SS..Hα-helixtrans-64.7-46.8-179.3-177.965.1000111.9S216 T220 M221 K222S216-L218 VanDerWaalsContact C-N 3.3Å; S216-L218 PolarHBondContact O-N 3.2Å; L218-T220 VanDerWaalsContact C-N 3.33Å; L218-M221 HydrophobicContact CD1-CE 4.4Å; L218-M221 PolarHBondContact O-N 2.86Å; L218-K222 PolarHBondContact O-N 2.84Å
219L90.9Very high90.8Very high116 Ų11671.1 Ų71.161%0.60734%0.335SS*.Hα-helixtrans-65-40.7177.4-67.4179000111.2S216 M221 K222 Q223S216-L219 PolarHBondContact O-N 3.36Å; L219-M221 VanDerWaalsContact C-N 3.33Å; L219-M221 PolarHBondContact O-N 2.96Å; L219-K222 PolarHBondContact O-N 3.29Å; L219-Q223 WeakPolarHBondContact O-CB 3.12Å; L219-Q223 PolarHBondContact O-N 2.85Å
220T90.8Very high91Very high11 Ų1171.1 Ų71.17%0.06734%0.336CS..Hα-helixtrans-63.6-40.3177-54.80000111.5A210 S216 K217 L218 Q223 L224A210-T220 HydrophobicContact CB-CG2 3.8Å; A210-T220 VanDerWaalsContact CB-OG1 3.32Å; A210-T220 WeakPolarHBondContact CB-OG1 3.35Å; S216-T220 WeakPolarHBondContact O-CB 3.04Å; S216-T220 PolarHBondContact O-N 3.33Å; S216-T220 PolarHBondContact O-OG1 3.3Å; K217-T220 PolarHBondContact O-N 2.95Å; L218-T220 VanDerWaalsContact C-N 3.33Å; T220-Q223 PolarHBondContact O-N 3.31Å; T220-L224 VanDerWaalsContact O-CB 3.24Å; T220-L224 WeakPolarHBondContact O-CB 3.39Å; T220-L224 PolarHBondContact O-N 2.87Å
221M90.8Very high91.1Very high73 Ų7371.5 Ų71.536%0.3634%0.337SS..Hα-helixtrans-61.8-47.5175.3-171.2-174.984.600111.4L203 K217 L218 L219 Q223 L224 L225L203-M221 HydrophobicContact CD1-CG 4.15Å; K217-M221 WeakPolarHBondContact O-CB 3.47Å; K217-M221 PolarHBondContact O-N 3.45Å; L218-M221 HydrophobicContact CD1-CE 4.4Å; L218-M221 PolarHBondContact O-N 2.86Å; L219-M221 VanDerWaalsContact C-N 3.33Å; L219-M221 PolarHBondContact O-N 2.96Å; M221-Q223 VanDerWaalsContact C-N 3.34Å; M221-Q223 PolarHBondContact O-N 2.96Å; M221-L224 PolarHBondContact O-N 2.87Å; M221-L225 HydrophobicContact CE-CD1 4.34Å; M221-L225 HydrophobicContact CG-CD1 4.1Å; M221-L225 HydrophobicContact CG-CG 4.47Å; M221-L225 WeakPolarHBondContact O-CB 3.42Å; M221-L225 VanDerWaalsContact O-CG 3.24Å; M221-L225 WeakPolarHBondContact O-CG 3.26Å; M221-L225 PolarHBondContact O-N 3.01Å
222K92.2Very high91.2Very high129 Ų12966.5 Ų66.556%0.56132%0.315SS*.Hα-helixtrans-59.7-44.5176.9-71.6-179.5178.3-176.60111.6L218 L219 L225 M226L218-K222 PolarHBondContact O-N 2.84Å; L219-K222 PolarHBondContact O-N 3.29Å; K222-L225 PolarHBondContact O-N 2.88Å; K222-M226 WeakPolarHBondContact O-CB 3.44Å; K222-M226 PolarHBondContact O-N 2.92Å
223Q91.9Very high91.2Very high57 Ų5767.6 Ų67.627%0.26632%0.319SS..Hα-helixtrans-66.2-43.4178.2-173.7172.440.300112.2E66 L219 T220 M221 M226 N227E66-Q223 HydrophobicContact CG-CG 4.41Å; E66-Q223 PolarHBondContact OE1-NE2 3.39Å; E66-Q223 VanDerWaalsContact OE1-NE2 3.16Å; E66-Q223 PolarHBondContact OE2-NE2 3.33Å; L219-Q223 WeakPolarHBondContact O-CB 3.12Å; L219-Q223 PolarHBondContact O-N 2.85Å; T220-Q223 PolarHBondContact O-N 3.31Å; M221-Q223 VanDerWaalsContact C-N 3.34Å; M221-Q223 PolarHBondContact O-N 2.96Å; Q223-M226 PolarHBondContact O-N 3.19Å; Q223-N227 WeakPolarHBondContact O-CB 3.49Å; Q223-N227 PolarHBondContact O-N 3.33Å; Q223-N227 PolarHBondContact O-ND2 3.39Å
224L94Very high91.2Very high1 Ų167.7 Ų67.71%0.00533%0.333CS..Hα-helixtrans-57.5-50.3173.8174.370.1000110.6Q69 T202 L203 A206 T220 M221 M226 N227 Y228Q69-L224 HydrophobicContact CG-CD1 3.65Å; T202-L224 HydrophobicContact CG2-CD1 4.16Å; L203-L224 HydrophobicContact CB-CD2 4.39Å; L203-L224 HydrophobicContact CD1-CD2 3.67Å; A206-L224 HydrophobicContact CB-CB 4.31Å; A206-L224 HydrophobicContact CB-CD1 3.76Å; A206-L224 HydrophobicContact CB-CD2 3.54Å; A206-L224 HydrophobicContact CB-CG 4.04Å; T220-L224 VanDerWaalsContact O-CB 3.24Å; T220-L224 WeakPolarHBondContact O-CB 3.39Å; T220-L224 PolarHBondContact O-N 2.87Å; M221-L224 PolarHBondContact O-N 2.87Å; L224-M226 VanDerWaalsContact C-N 3.35Å; L224-M226 PolarHBondContact O-N 3.38Å; L224-N227 CarbonylContact O-C 3.2Å; L224-N227 PolarHBondContact O-N 2.85Å; L224-Y228 VanDerWaalsContact O-CB 3.25Å; L224-Y228 WeakPolarHBondContact O-CB 3.37Å; L224-Y228 PolarHBondContact O-N 3.38Å
225L93.8Very high91.1Very high32 Ų3261.8 Ų61.817%0.16830%0.303CS..Hα-helixtrans-62.3-42.9-177.6-72.9172.6000111.5F199 M221 K222 N227 Y228 R229F199-L225 HydrophobicContact CZ-CD2 3.93Å; M221-L225 HydrophobicContact CE-CD1 4.34Å; M221-L225 HydrophobicContact CG-CD1 4.1Å; M221-L225 HydrophobicContact CG-CG 4.47Å; M221-L225 WeakPolarHBondContact O-CB 3.42Å; M221-L225 VanDerWaalsContact O-CG 3.24Å; M221-L225 WeakPolarHBondContact O-CG 3.26Å; M221-L225 PolarHBondContact O-N 3.01Å; K222-L225 PolarHBondContact O-N 2.88Å; L225-N227 VanDerWaalsContact C-N 3.34Å; L225-N227 PolarHBondContact O-N 2.83Å; L225-Y228 PolarHBondContact O-N 3.33Å; L225-R229 WeakPolarHBondContact O-CB 3.34Å; L225-R229 WeakPolarHBondContact O-CG 3.33Å; L225-R229 PolarHBondContact O-N 3.17Å
226M93.7Very high91.1Very high85 Ų8556.5 Ų56.542%0.41928%0.284SS..Hα-helixtrans-56.9-49.4172.8-178.76475.500111.1K222 Q223 L224 R229 A230 L249 T251K222-M226 WeakPolarHBondContact O-CB 3.44Å; K222-M226 PolarHBondContact O-N 2.92Å; Q223-M226 PolarHBondContact O-N 3.19Å; L224-M226 VanDerWaalsContact C-N 3.35Å; L224-M226 PolarHBondContact O-N 3.38Å; M226-R229 PolarHBondContact O-N 3.48Å; M226-A230 WeakPolarHBondContact O-CB 3.35Å; M226-A230 PolarHBondContact O-N 3.15Å; M226-A230 VanDerWaalsContact O-N 3.09Å; M226-L249 HydrophobicContact SD-CD1 4.05Å; M226-T251 HydrophobicContact CG-CG2 4.2Å; M226-T251 HydrophobicContact SD-CG2 4.46Å
227N93.1Very high91Very high2 Ų262 Ų621%0.01130%0.295CS..Hα-helixtrans-69.3-38.3-177.1-71.4-17.1000112.8E66 S67 R77 Q223 L224 L225 A230 T231E66-N227 VanDerWaalsContact CG-ND2 3.26Å; E66-N227 WeakPolarHBondContact CG-ND2 3.33Å; E66-N227 PolarHBondContact OE1-ND2 2.95Å; E66-N227 PolarHBondContact OE1-OD1 2.96Å; S67-N227 PolarHBondContact OG-ND2 3.23Å; R77-N227 VanDerWaalsContact CZ-OD1 3.28Å; R77-N227 VanDerWaalsContact NH1-CB 3.34Å; R77-N227 PolarHBondContact NH1-ND2 3.28Å; R77-N227 PolarHBondContact NH1-OD1 3.45Å; R77-N227 PolarHBondContact NH2-OD1 2.96Å; Q223-N227 WeakPolarHBondContact O-CB 3.49Å; Q223-N227 PolarHBondContact O-N 3.33Å; Q223-N227 PolarHBondContact O-ND2 3.39Å; L224-N227 CarbonylContact O-C 3.2Å; L224-N227 PolarHBondContact O-N 2.85Å; L225-N227 VanDerWaalsContact C-N 3.34Å; L225-N227 PolarHBondContact O-N 2.83Å; N227-A230 CarbonylContact O-C 3.59Å; N227-A230 PolarHBondContact O-N 2.92Å; N227-T231 WeakPolarHBondContact O-CB 3.18Å; N227-T231 PolarHBondContact O-N 3.44Å; N227-T231 VanDerWaalsContact O-N 3.1Å; N227-T231 PolarHBondContact O-OG1 3.09Å
228Y94.2Very high91.2Very high62 Ų6256.6 Ų56.624%0.24327%0.273CS..Hα-helixtrans-63-49.1175.7-179.3-102.3000110.7R73 F199 L224 L225 A230 T231 P240R73-Y228 VanDerWaalsContact NH1-CE2 3.28Å; F199-Y228 HydrophobicContact CD2-CD1 4.26Å; F199-Y228 HydrophobicContact CD2-CD2 4.46Å; F199-Y228 AromaticContact CD2-CE1 3.78Å; F199-Y228 HydrophobicContact CD2-CE1 3.78Å; F199-Y228 HydrophobicContact CD2-CE2 4.01Å; F199-Y228 AromaticContact CD2-CZ 3.64Å; F199-Y228 AromaticContact CE2-CD1 3.78Å; F199-Y228 HydrophobicContact CE2-CD1 3.78Å; F199-Y228 HydrophobicContact CE2-CD2 4.38Å; F199-Y228 AromaticContact CE2-CE1 3.74Å; F199-Y228 HydrophobicContact CE2-CE1 3.74Å; F199-Y228 HydrophobicContact CE2-CE2 4.34Å; F199-Y228 HydrophobicContact CE2-CG 4.1Å; L224-Y228 VanDerWaalsContact O-CB 3.25Å; L224-Y228 WeakPolarHBondContact O-CB 3.37Å; L224-Y228 PolarHBondContact O-N 3.38Å; L225-Y228 PolarHBondContact O-N 3.33Å; Y228-A230 PolarHBondContact O-N 3.16Å; Y228-T231 PolarHBondContact O-N 2.75Å; Y228-T231 VanDerWaalsContact O-N 3.16Å; Y228-P240 HydrophobicContact CD1-CG 4.46Å; Y228-P240 HydrophobicContact CE1-CG 4.2Å
229R94.2Very high91.4Very high108 Ų10852.1 Ų52.141%0.40825%0.249SC..Hα-helixtrans-63.1-27.9178.7-70.1173.9-174.3132.51.1113.3L225 M226 T239 P240 S241 L249L225-R229 WeakPolarHBondContact O-CB 3.34Å; L225-R229 WeakPolarHBondContact O-CG 3.33Å; L225-R229 PolarHBondContact O-N 3.17Å; M226-R229 PolarHBondContact O-N 3.48Å; R229-T239 WeakPolarHBondContact O-CB 3.28Å; R229-P240 WeakPolarHBondContact O-CD 3.04Å; R229-S241 WeakPolarHBondContact O-CB 3.4Å; R229-S241 PolarHBondContact O-N 3.09Å; R229-S241 PolarHBondContact O-OG 3.16Å; R229-L249 HydrophobicContact CB-CD1 3.59Å
230A92.1Very high91.4Very high3 Ų348.5 Ų48.53%0.02523%0.233CC..THydrogen-bonded Turntrans-96.64.6178.400000114.6M226 N227 Y228 L249 T251M226-A230 WeakPolarHBondContact O-CB 3.35Å; M226-A230 PolarHBondContact O-N 3.15Å; M226-A230 VanDerWaalsContact O-N 3.09Å; N227-A230 CarbonylContact O-C 3.59Å; N227-A230 PolarHBondContact O-N 2.92Å; Y228-A230 PolarHBondContact O-N 3.16Å; A230-L249 HydrophobicContact CB-CB 4.12Å; A230-T251 HydrophobicContact CB-CG2 3.46Å; A230-T251 VanDerWaalsContact CB-CG2 3.46Å
231T92.4Very high91.5Very high8 Ų848 Ų485%0.04923%0.23CC..SBendtrans-101.8124.8179.5-640000110.3R73 R77 N227 Y228 H233 P240R73-T231 HydrophobicContact CB-CG2 4.17Å; R77-T231 HydrophobicContact CB-CG2 4.08Å; N227-T231 WeakPolarHBondContact O-CB 3.18Å; N227-T231 PolarHBondContact O-N 3.44Å; N227-T231 VanDerWaalsContact O-N 3.1Å; N227-T231 PolarHBondContact O-OG1 3.09Å; Y228-T231 PolarHBondContact O-N 2.75Å; Y228-T231 VanDerWaalsContact O-N 3.16Å; T231-H233 PolarHBondContact O-N 3.02Å; T231-P240 VanDerWaalsContact O-CD 3.27Å; T231-P240 WeakPolarHBondContact O-CD 3.37Å
232P91.6Very high91.5Very high7 Ų745.2 Ų45.25%0.04522%0.216CC..PPolyproline II helixtrans-62.9132.1176.5-20.731.2000111.3S76 D80 A238 T239S76-P232 WeakPolarHBondContact CB-O 3.25Å; S76-P232 PolarHBondContact OG-O 2.84Å; D80-P232 HydrophobicContact CB-CG 3.78Å; D80-P232 VanDerWaalsContact CG-CG 3.48Å; P232-A238 WeakPolarHBondContact CA-O 3.4Å; P232-T239 HydrophobicContact CB-CG2 4.41Å; P232-T239 HydrophobicContact CG-CG2 3.85Å
233H90.2Very high91.5Very high72 Ų7241.9 Ų41.933%0.33320%0.204SC..PPolyproline II helixtrans-74.4141.8173.5-175.7-103.4000110T231 V235 T236 R237 A238T231-H233 PolarHBondContact O-N 3.02Å; H233-V235 PolarHBondContact ND1-N 3.35Å; H233-V235 PolarHBondContact O-N 2.93Å; H233-V235 VanDerWaalsContact O-N 3.17Å; H233-T236 WeakPolarHBondContact CB-OG1 3.44Å; H233-R237 WeakPolarHBondContact O-CA 3.43Å; H233-R237 PolarHBondContact O-N 3.47Å; H233-A238 PolarHBondContact N-O 3.47Å
234C84.8Confident91.4Very high96 Ų9642.3 Ų42.365%0.64921%0.208SC*.THydrogen-bonded Turntrans-64.7-25.8-170.757.50000114.2
235V87.1Confident91.3Very high29 Ų2946 Ų4618%0.17623%0.225CC..THydrogen-bonded Turntrans-85.8-56.5-180-177.70000111H233 R237 V271 K274H233-V235 PolarHBondContact ND1-N 3.35Å; H233-V235 PolarHBondContact O-N 2.93Å; H233-V235 VanDerWaalsContact O-N 3.17Å; V235-R237 VanDerWaalsContact C-N 3.25Å; V235-R237 PolarHBondContact O-N 2.82Å; V235-V271 HydrophobicContact CG1-CG2 4.07Å; V235-K274 HydrophobicContact CG1-CB 3.71Å; V235-K274 HydrophobicContact CG1-CG 4.04Å; V235-K274 HydrophobicContact CG2-CB 4.45Å; V235-K274 HydrophobicContact CG2-CG 3.84Å
236T89.1Confident91Very high13 Ų1347.4 Ų47.48%0.0825%0.247CC..THydrogen-bonded Turntrans-71.4-23.6-178.3630000111.8H233 A238 L243 I267 R270 V271H233-T236 WeakPolarHBondContact CB-OG1 3.44Å; T236-A238 PolarHBondContact O-N 3.24Å; T236-A238 PolarHBondContact OG1-N 2.96Å; T236-A238 PolarHBondContact OG1-O 2.97Å; T236-L243 HydrophobicContact CG2-CD1 4.24Å; T236-I267 HydrophobicContact CG2-CG2 4.02Å; T236-R270 VanDerWaalsContact C-NH1 3.3Å; T236-R270 PolarHBondContact O-NH1 3.25Å; T236-R270 PolarHBondContact O-NH2 3.14Å; T236-V271 HydrophobicContact CG2-CG2 3.72Å
237R88.8Confident90.8Very high179 Ų17950.7 Ų50.768%0.67526%0.255SS*.  trans51.320-167.5-50.8179.5-172154.3-4.2113.5H233 V235 R270H233-R237 WeakPolarHBondContact O-CA 3.43Å; H233-R237 PolarHBondContact O-N 3.47Å; V235-R237 VanDerWaalsContact C-N 3.25Å; V235-R237 PolarHBondContact O-N 2.82Å; R237-R270 VanDerWaalsContact CB-NH1 3.26Å; R237-R270 VanDerWaalsContact CD-NH1 3.28Å
238A90.4Very high90.5Very high8 Ų851.7 Ų51.77%0.06626%0.261CS..SBendtrans-117.9149.6176.900000108.9P232 H233 T236 L242 L243 I267P232-A238 WeakPolarHBondContact CA-O 3.4Å; H233-A238 PolarHBondContact N-O 3.47Å; T236-A238 PolarHBondContact O-N 3.24Å; T236-A238 PolarHBondContact OG1-N 2.96Å; T236-A238 PolarHBondContact OG1-O 2.97Å; A238-L242 HydrophobicContact CB-CD2 4.33Å; A238-L243 HydrophobicContact CB-CD1 4.11Å; A238-L243 HydrophobicContact CB-CD2 3.65Å; A238-L243 HydrophobicContact CB-CG 3.77Å; A238-I267 HydrophobicContact CB-CD1 4.35Å
239T92.5Very high90.3Very high4 Ų450 Ų503%0.02526%0.256CS..  trans-78.6149.1176.371.30000109.7R229 P232 S241 L242 L243R229-T239 WeakPolarHBondContact O-CB 3.28Å; P232-T239 HydrophobicContact CB-CG2 4.41Å; P232-T239 HydrophobicContact CG-CG2 3.85Å; T239-S241 PolarHBondContact O-N 3.49Å; T239-S241 PolarHBondContact OG1-OG 3.29Å; T239-L242 PolarHBondContact O-N 3.38Å; T239-L242 VanDerWaalsContact OG1-CB 3.27Å; T239-L242 WeakPolarHBondContact OG1-CB 3.32Å; T239-L242 PolarHBondContact OG1-N 2.73Å; T239-L242 VanDerWaalsContact OG1-N 3.09Å; T239-L243 PolarHBondContact O-N 3.18Å
240P92.9Very high90Very high39 Ų3953.3 Ų53.325%0.25327%0.269SS..Hα-helixtrans-56.1-36.2174.5-2632.5000113.1Y228 R229 T231 L243 L244Y228-P240 HydrophobicContact CD1-CG 4.46Å; Y228-P240 HydrophobicContact CE1-CG 4.2Å; R229-P240 WeakPolarHBondContact O-CD 3.04Å; T231-P240 VanDerWaalsContact O-CD 3.27Å; T231-P240 WeakPolarHBondContact O-CD 3.37Å; P240-L243 PolarHBondContact O-N 2.95Å; P240-L244 VanDerWaalsContact O-CB 3.26Å; P240-L244 WeakPolarHBondContact O-CB 3.2Å; P240-L244 PolarHBondContact O-N 3.46Å
241S92.3Very high89.8Confident2 Ų254 Ų541%0.01427%0.273CS..Hα-helixtrans-64.2-37.8174.957.80000113.7R229 T239 H245 R247 L249R229-S241 WeakPolarHBondContact O-CB 3.4Å; R229-S241 PolarHBondContact O-N 3.09Å; R229-S241 PolarHBondContact O-OG 3.16Å; T239-S241 PolarHBondContact O-N 3.49Å; T239-S241 PolarHBondContact OG1-OG 3.29Å; S241-H245 WeakPolarHBondContact O-CA 3.48Å; S241-H245 WeakPolarHBondContact O-CB 3.27Å; S241-H245 PolarHBondContact O-N 3.48Å; S241-R247 CarbonylContact C-O 3.53Å; S241-R247 PolarHBondContact OG-O 3.33Å; S241-L249 PolarHBondContact OG-N 2.9Å
242L91.5Very high89.4Confident13 Ų1359.1 Ų59.17%0.06829%0.294CS..Hα-helixtrans-67.9-41.8176.8-179.562.2000111.2A238 T239 G246 R247 K260 V262A238-L242 HydrophobicContact CB-CD2 4.33Å; T239-L242 PolarHBondContact O-N 3.38Å; T239-L242 VanDerWaalsContact OG1-CB 3.27Å; T239-L242 WeakPolarHBondContact OG1-CB 3.32Å; T239-L242 PolarHBondContact OG1-N 2.73Å; T239-L242 VanDerWaalsContact OG1-N 3.09Å; L242-G246 WeakPolarHBondContact O-CA 3.36Å; L242-G246 PolarHBondContact O-N 3.43Å; L242-R247 WeakPolarHBondContact CA-O 3.48Å; L242-R247 PolarHBondContact N-O 2.9Å; L242-K260 HydrophobicContact CD2-CB 4.18Å; L242-V262 HydrophobicContact CD1-CG2 3.64Å; L242-V262 HydrophobicContact CD2-CG2 3.76Å; L242-V262 HydrophobicContact CG-CG2 3.52Å
243L90.8Very high89Confident60 Ų6058.8 Ų58.831%0.31429%0.292SS..Hα-helixtrans-71-35.4179.7-64.8178.9000112.9A124 T236 A238 T239 P240 V262 I267A124-L243 WeakPolarHBondContact CB-O 3.49Å; T236-L243 HydrophobicContact CG2-CD1 4.24Å; A238-L243 HydrophobicContact CB-CD1 4.11Å; A238-L243 HydrophobicContact CB-CD2 3.65Å; A238-L243 HydrophobicContact CB-CG 3.77Å; T239-L243 PolarHBondContact O-N 3.18Å; P240-L243 PolarHBondContact O-N 2.95Å; L243-V262 HydrophobicContact CD2-CG1 4.43Å; L243-I267 HydrophobicContact CD2-CD1 3.92Å
244L91.2Very high88.5Confident66 Ų6655.8 Ų55.835%0.34628%0.278SS..Hα-helixtrans-87.6-43-177.2-176.560.8000112.8A124 W125 P240A124-L244 HydrophobicContact CB-CD1 4.3Å; W125-L244 HydrophobicContact CB-CD1 4.35Å; W125-L244 HydrophobicContact CE3-CD1 3.9Å; P240-L244 VanDerWaalsContact O-CB 3.26Å; P240-L244 WeakPolarHBondContact O-CB 3.2Å; P240-L244 PolarHBondContact O-N 3.46Å
245H90.4Very high87.7Confident77 Ų7752.2 Ų52.236%0.35626%0.255SS..Hα-helixtrans-114.34.3-170.8-59.8133.3000113.7E152 S241 R247E152-H245 IonicContact OE1-NE2 2.61Å; E152-H245 IonicContact OE2-CD2 3.61Å; E152-H245 IonicContact OE2-CE1 3.88Å; E152-H245 IonicContact OE2-NE2 3.74Å; E152-H245 PolarHBondContact OE2-NE2 2.78Å; S241-H245 WeakPolarHBondContact O-CA 3.48Å; S241-H245 WeakPolarHBondContact O-CB 3.27Å; S241-H245 PolarHBondContact O-N 3.48Å; H245-R247 HydrophobicContact CB-CG 4.23Å; H245-R247 PolarHBondContact O-N 3.43Å; H245-R247 VanDerWaalsContact O-N 3.09Å
246G88.6Confident86.7Confident62 Ų6253.4 Ų53.464%0.63926%0.263SS*.SBendtrans66.79.5-179.900000114.7L242L242-G246 WeakPolarHBondContact O-CA 3.36Å; L242-G246 PolarHBondContact O-N 3.43Å
247R88.5Confident85.7Confident154 Ų15455.6 Ų55.658%0.58128%0.276SS*.SBendtrans-141147.3-176.969.3-176.1-177.4108.9-1.6112.8S241 L242 H245S241-R247 CarbonylContact C-O 3.53Å; S241-R247 PolarHBondContact OG-O 3.33Å; L242-R247 WeakPolarHBondContact CA-O 3.48Å; L242-R247 PolarHBondContact N-O 2.9Å; H245-R247 HydrophobicContact CB-CG 4.23Å; H245-R247 PolarHBondContact O-N 3.43Å; H245-R247 VanDerWaalsContact O-N 3.09Å
248T87Confident84.8Confident23 Ų2351.5 Ų51.514%0.14127%0.271CS..PPolyproline II helixtrans-82.6126.8175.3-57.80000110.8R250T248-R250 PolarHBondContact O-N 3.48Å
249L89.7Confident83.8Confident27 Ų2757.2 Ų57.214%0.14131%0.308CS..PPolyproline II helixtrans-69.9125.7173.2-70.8174.7000112.1M226 R229 A230 S241 T251 H254M226-L249 HydrophobicContact SD-CD1 4.05Å; R229-L249 HydrophobicContact CB-CD1 3.59Å; A230-L249 HydrophobicContact CB-CB 4.12Å; S241-L249 PolarHBondContact OG-N 2.9Å; L249-T251 PolarHBondContact O-N 3.04Å; L249-H254 PolarHBondContact O-CE1 3.04Å
250R87.5Confident83Confident178 Ų17860.9 Ų60.967%0.67232%0.323SS*.PPolyproline II helixtrans-73.6125.2172.2-167.1177.7178.6166.80.1110T248 H254 V257T248-R250 PolarHBondContact O-N 3.48Å; R250-H254 HydrophobicContact CG-CB 3.88Å; R250-V257 HydrophobicContact CB-CG2 3.94Å; R250-V257 HydrophobicContact CG-CG2 3.77Å
251T88.4Confident82.3Confident17 Ų1764.9 Ų64.910%0.10435%0.352CS..  trans-123.9176.7176.764.90000110.9R77 M226 A230 L249 L253 H254R77-T251 PolarHBondContact NH2-OG1 3.24Å; R77-T251 VanDerWaalsContact NH2-OG1 3.14Å; M226-T251 HydrophobicContact CG-CG2 4.2Å; M226-T251 HydrophobicContact SD-CG2 4.46Å; A230-T251 HydrophobicContact CB-CG2 3.46Å; A230-T251 VanDerWaalsContact CB-CG2 3.46Å; L249-T251 PolarHBondContact O-N 3.04Å; T251-L253 PolarHBondContact O-N 3.22Å; T251-L253 PolarHBondContact OG1-N 2.9Å; T251-H254 PolarHBondContact N-ND1 3.02Å; T251-H254 PolarHBondContact O-N 3.15Å; T251-H254 PolarHBondContact OG1-CE1 3.25Å; T251-H254 PolarHBondContact OG1-ND1 3.43Å
252K83.6Confident81.8Confident115 Ų11567.7 Ų67.750%0.537%0.369SS..THydrogen-bonded Turntrans-54.9-14.7173.4-61.2179.6-169.5164.30113.9R54 E66R54-K252 PolarHBondContact NH1-O 2.92Å; R54-K252 PolarHBondContact NH2-O 3.21Å; E66-K252 IonicContact OE2-NZ 3.41Å; E66-K252 PolarHBondContact OE2-NZ 3.35Å
253L84Confident81.6Confident1 Ų171.6 Ų71.61%0.00539%0.39CS..THydrogen-bonded Turntrans-89.5-16.2174.9-66.6-178.6000114.2R54 A60 N63 A64 R77 L81 Y82 T251 A255R54-L253 PolarHBondContact NH1-O 3.35Å; R54-L253 VanDerWaalsContact NH1-O 3.08Å; A60-L253 WeakPolarHBondContact O-CD2 3.36Å; N63-L253 HydrophobicContact CB-CD2 3.48Å; N63-L253 VanDerWaalsContact CB-CD2 3.48Å; N63-L253 HydrophobicContact CB-CG 4.33Å; A64-L253 HydrophobicContact CB-CD1 3.73Å; A64-L253 HydrophobicContact CB-CD2 4.27Å; R77-L253 VanDerWaalsContact CD-CD1 3.48Å; R77-L253 HydrophobicContact CG-CD1 3.63Å; R77-L253 VanDerWaalsContact NE-CD1 3.26Å; L81-L253 HydrophobicContact CD1-CB 3.47Å; L81-L253 VanDerWaalsContact CD1-CB 3.47Å; L81-L253 HydrophobicContact CD1-CD1 4.32Å; Y82-L253 HydrophobicContact CE2-CB 4.3Å; Y82-L253 HydrophobicContact CE2-CD2 4.38Å; Y82-L253 WeakPolarHBondContact CE2-O 3.5Å; Y82-L253 VanDerWaalsContact CZ-O 3.3Å; Y82-L253 PolarHBondContact OH-O 3.21Å; T251-L253 PolarHBondContact O-N 3.22Å; T251-L253 PolarHBondContact OG1-N 2.9Å; L253-A255 PolarHBondContact O-N 3.48Å
254H80Confident81.4Confident9 Ų972.1 Ų72.14%0.04239%0.393CS..  trans-85.2115.5-174.8-67.274.6000109.5R54 L249 R250 T251 V257R54-H254 PolarHBondContact NH1-O 3.02Å; L249-H254 PolarHBondContact O-CE1 3.04Å; R250-H254 HydrophobicContact CG-CB 3.88Å; T251-H254 PolarHBondContact N-ND1 3.02Å; T251-H254 PolarHBondContact O-N 3.15Å; T251-H254 PolarHBondContact OG1-CE1 3.25Å; T251-H254 PolarHBondContact OG1-ND1 3.43Å; H254-V257 HydrophobicContact CB-CG2 4.18Å
255A67.2Low81.4Confident20 Ų2076 Ų7617%0.16541%0.41CS..SBendtrans-76.2-56.2173.700000108.5I50 R54 L253I50-A255 HydrophobicContact CG2-CB 3.65Å; R54-A255 VanDerWaalsContact NH1-CA 3.32Å; L253-A255 PolarHBondContact O-N 3.48Å
256T66Low81.4Confident54 Ų5473.9 Ų73.933%0.33141%0.405SS..SBendtrans-122.5152.2170.851.30000107.7E47E47-T256 HydrophobicContact CG-CG2 3.96Å; E47-T256 WeakPolarHBondContact OE1-CG2 3.3Å
257V69.1Low81.4Confident60 Ų6071.2 Ų71.236%0.36438%0.376SS..  trans-106104.7173.2-179.30000106.3R250 H254R250-V257 HydrophobicContact CB-CG2 3.94Å; R250-V257 HydrophobicContact CG-CG2 3.77Å; H254-V257 HydrophobicContact CB-CG2 4.18Å
258T69.6Low81.5Confident92 Ų9267 Ų6756%0.56436%0.36SS*.  trans-80.2124.7170.843.90000108.7K260T258-K260 PolarHBondContact O-N 3.42Å
259P69.4Low81.6Confident129 Ų12968.7 Ų68.784%0.83838%0.376SS*.  trans-57129.4170.8-21.932.8000109.4
260K74.8Confident81.6Confident80 Ų8071 Ų7135%0.34838%0.383SS..  trans-106.1122.9173.7-71.4-177.3176.51750108.2D80 L242 T258D80-K260 IonicContact OD1-NZ 3.07Å; D80-K260 PolarHBondContact OD1-NZ 3.24Å; D80-K260 IonicContact OD2-NZ 2.63Å; D80-K260 PolarHBondContact OD2-NZ 3.06Å; L242-K260 HydrophobicContact CD2-CB 4.18Å; T258-K260 PolarHBondContact O-N 3.42Å
261S78.5Confident81.7Confident123 Ų12363.2 Ų63.286%0.8636%0.356SS*.  trans-69.2140.1165.1550000109.1
262V81.5Confident81.6Confident61 Ų6165.4 Ų65.437%0.3737%0.371SS..  trans-101.3109.6178.6-178.20000107.5L242 L243 D264 I267L242-V262 HydrophobicContact CD1-CG2 3.64Å; L242-V262 HydrophobicContact CD2-CG2 3.76Å; L242-V262 HydrophobicContact CG-CG2 3.52Å; L243-V262 HydrophobicContact CD2-CG1 4.43Å; V262-D264 PolarHBondContact O-N 2.7Å; V262-I267 HydrophobicContact CG1-CD1 3.43Å; V262-I267 VanDerWaalsContact CG1-CD1 3.43Å
263D88.3Confident81.9Confident96 Ų9661.8 Ų61.851%0.51337%0.366SS..  trans-84.994.3166.4-178.2-13.6000108.6H265 A266 I267D263-H265 VanDerWaalsContact C-N 3.3Å; D263-H265 PolarHBondContact O-N 3.07Å; D263-H265 PolarHBondContact OD1-N 3.34Å; D263-H265 VanDerWaalsContact OD1-N 3.17Å; D263-A266 HydrophobicContact CB-CB 4.02Å; D263-A266 VanDerWaalsContact CG-CB 3.42Å; D263-A266 PolarHBondContact O-N 3.48Å; D263-A266 PolarHBondContact OD1-N 2.8Å; D263-A266 VanDerWaalsContact OD2-CB 3.3Å; D263-A266 WeakPolarHBondContact OD2-CB 3.48Å; D263-I267 WeakPolarHBondContact O-CD1 3.26Å; D263-I267 VanDerWaalsContact O-CG1 3.31Å; D263-I267 WeakPolarHBondContact O-CG1 3.39Å; D263-I267 PolarHBondContact O-N 3.01Å
264D87.1Confident82Confident71 Ų7166.1 Ų66.138%0.3839%0.385SS..Hα-helixtrans-61.3-38.8-178.4-172.357.7000111.8V262 I267 R268V262-D264 PolarHBondContact O-N 2.7Å; D264-I267 PolarHBondContact O-N 3.44Å; D264-R268 WeakPolarHBondContact O-CG 3.39Å; D264-R268 PolarHBondContact O-N 3.31Å; D264-R268 IonicContact OD1-NE 3.29Å; D264-R268 IonicContact OD1-NH2 3.62Å; D264-R268 IonicContact OD2-CZ 2.73Å; D264-R268 VanDerWaalsContact OD2-CZ 3.31Å; D264-R268 IonicContact OD2-NE 3.52Å; D264-R268 PolarHBondContact OD2-NE 3.24Å; D264-R268 IonicContact OD2-NH2 3.9Å; D264-R268 PolarHBondContact OD2-NH2 3.36Å
265H89.5Confident82.3Confident148 Ų14868.2 Ų68.269%0.68540%0.395SS*.Hα-helixtrans-62.6-48178.3-176.679.2000111.2D263 I267 R268 A269D263-H265 VanDerWaalsContact C-N 3.3Å; D263-H265 PolarHBondContact O-N 3.07Å; D263-H265 PolarHBondContact OD1-N 3.34Å; D263-H265 VanDerWaalsContact OD1-N 3.17Å; H265-I267 VanDerWaalsContact C-N 3.28Å; H265-I267 PolarHBondContact O-N 3.4Å; H265-R268 PolarHBondContact O-N 3.45Å; H265-A269 WeakPolarHBondContact O-CB 3.27Å; H265-A269 PolarHBondContact O-N 3.17Å
266A90.4Very high83Confident32 Ų3269.9 Ų69.926%0.26440%0.401SS..Hα-helixtrans-66-2917700000113.1D263 R270D263-A266 HydrophobicContact CB-CB 4.02Å; D263-A266 VanDerWaalsContact CG-CB 3.42Å; D263-A266 PolarHBondContact O-N 3.48Å; D263-A266 PolarHBondContact OD1-N 2.8Å; D263-A266 VanDerWaalsContact OD2-CB 3.3Å; D263-A266 WeakPolarHBondContact OD2-CB 3.48Å; A266-R270 WeakPolarHBondContact O-CG 3.44Å; A266-R270 PolarHBondContact O-N 3.38Å; A266-R270 PolarHBondContact O-NE 2.91Å
267I89.8Confident83.9Confident5 Ų573.5 Ų73.53%0.02641%0.409CS..Hα-helixtrans-68.8-50.2173.1-70.5161.7000110.1F120 T236 A238 L243 V262 D263 D264 H265 A269 R270 V271F120-I267 HydrophobicContact CZ-CG2 4.34Å; T236-I267 HydrophobicContact CG2-CG2 4.02Å; A238-I267 HydrophobicContact CB-CD1 4.35Å; L243-I267 HydrophobicContact CD2-CD1 3.92Å; V262-I267 HydrophobicContact CG1-CD1 3.43Å; V262-I267 VanDerWaalsContact CG1-CD1 3.43Å; D263-I267 WeakPolarHBondContact O-CD1 3.26Å; D263-I267 VanDerWaalsContact O-CG1 3.31Å; D263-I267 WeakPolarHBondContact O-CG1 3.39Å; D263-I267 PolarHBondContact O-N 3.01Å; D264-I267 PolarHBondContact O-N 3.44Å; H265-I267 VanDerWaalsContact C-N 3.28Å; H265-I267 PolarHBondContact O-N 3.4Å; I267-A269 PolarHBondContact O-N 3.04Å; I267-R270 PolarHBondContact O-N 3.09Å; I267-V271 HydrophobicContact CG2-CG2 4.35Å; I267-V271 WeakPolarHBondContact O-CG2 3.42Å; I267-V271 PolarHBondContact O-N 3.07Å
268R89.2Confident84.4Confident67 Ų6773.1 Ų73.125%0.25341%0.407SS..Hα-helixtrans-58.5-45.3178.4-71.6-179.5-167.6-92-13.6112F120 P121 S122 D264 H265 R270 V271 C272F120-R268 HydrophobicContact CD1-CG 3.78Å; F120-R268 HydrophobicContact CE1-CG 4.09Å; F120-R268 HydrophobicContact CG-CG 4.39Å; P121-R268 PolarHBondContact O-NH1 2.91Å; P121-R268 PolarHBondContact O-NH2 2.93Å; S122-R268 PolarHBondContact O-NH2 3.37Å; D264-R268 WeakPolarHBondContact O-CG 3.39Å; D264-R268 PolarHBondContact O-N 3.31Å; D264-R268 IonicContact OD1-NE 3.29Å; D264-R268 IonicContact OD1-NH2 3.62Å; D264-R268 IonicContact OD2-CZ 2.73Å; D264-R268 VanDerWaalsContact OD2-CZ 3.31Å; D264-R268 IonicContact OD2-NE 3.52Å; D264-R268 PolarHBondContact OD2-NE 3.24Å; D264-R268 IonicContact OD2-NH2 3.9Å; D264-R268 PolarHBondContact OD2-NH2 3.36Å; H265-R268 PolarHBondContact O-N 3.45Å; R268-R270 VanDerWaalsContact C-N 3.31Å; R268-R270 PolarHBondContact O-N 3.5Å; R268-V271 PolarHBondContact O-N 3.01Å; R268-C272 VanDerWaalsContact O-CB 3.29Å; R268-C272 WeakPolarHBondContact O-CB 3.37Å; R268-C272 PolarHBondContact O-N 3.25Å
269A89.8Confident84.7Confident58 Ų5869.9 Ų69.948%0.47939%0.388SS..Hα-helixtrans-58-42.9177.100000112.2H265 I267 G273H265-A269 WeakPolarHBondContact O-CB 3.27Å; H265-A269 PolarHBondContact O-N 3.17Å; I267-A269 PolarHBondContact O-N 3.04Å; A269-G273 PolarHBondContact O-N 2.94Å
270R90.6Very high85Confident74 Ų7472.3 Ų72.328%0.27938%0.381SS..Hα-helixtrans-68.2-39.2177-76.7179.3-72.3158.2-6.2113T236 R237 A266 I267 R268 K274T236-R270 VanDerWaalsContact C-NH1 3.3Å; T236-R270 PolarHBondContact O-NH1 3.25Å; T236-R270 PolarHBondContact O-NH2 3.14Å; R237-R270 VanDerWaalsContact CB-NH1 3.26Å; R237-R270 VanDerWaalsContact CD-NH1 3.28Å; A266-R270 WeakPolarHBondContact O-CG 3.44Å; A266-R270 PolarHBondContact O-N 3.38Å; A266-R270 PolarHBondContact O-NE 2.91Å; I267-R270 PolarHBondContact O-N 3.09Å; R268-R270 VanDerWaalsContact C-N 3.31Å; R268-R270 PolarHBondContact O-N 3.5Å; R270-K274 VanDerWaalsContact O-CB 3.3Å; R270-K274 WeakPolarHBondContact O-CB 3.37Å; R270-K274 PolarHBondContact O-N 3.42Å
271V89Confident85Confident16 Ų1671.2 Ų71.210%0.09738%0.379CS..Hα-helixtrans-67.3-49.4177.8175.60000110.2F120 V235 T236 I267 R268 K274 Q275F120-V271 HydrophobicContact CD2-CB 4.2Å; F120-V271 HydrophobicContact CD2-CG1 3.76Å; F120-V271 HydrophobicContact CD2-CG2 4.3Å; F120-V271 HydrophobicContact CE2-CB 4.41Å; F120-V271 HydrophobicContact CE2-CG1 4.21Å; F120-V271 HydrophobicContact CE2-CG2 4Å; V235-V271 HydrophobicContact CG1-CG2 4.07Å; T236-V271 HydrophobicContact CG2-CG2 3.72Å; I267-V271 HydrophobicContact CG2-CG2 4.35Å; I267-V271 WeakPolarHBondContact O-CG2 3.42Å; I267-V271 PolarHBondContact O-N 3.07Å; R268-V271 PolarHBondContact O-N 3.01Å; V271-K274 PolarHBondContact O-N 3.26Å; V271-K274 VanDerWaalsContact O-N 3.14Å; V271-Q275 HydrophobicContact CG1-CG 4.29Å; V271-Q275 WeakPolarHBondContact O-CG 3.43Å; V271-Q275 PolarHBondContact O-N 3.08Å
272C87.3Confident84.5Confident63 Ų6365.7 Ų65.743%0.42634%0.34SS..Hα-helixtrans-55.5-54.5176.4-170.70000110.8R268 K274 Q275 D276R268-C272 VanDerWaalsContact O-CB 3.29Å; R268-C272 WeakPolarHBondContact O-CB 3.37Å; R268-C272 PolarHBondContact O-N 3.25Å; C272-K274 PolarHBondContact O-N 3.38Å; C272-K274 VanDerWaalsContact O-N 3.16Å; C272-Q275 WeakPolarHBondContact O-CB 3.44Å; C272-Q275 PolarHBondContact O-N 3.1Å; C272-D276 VanDerWaalsContact O-CG 3.3Å; C272-D276 PolarHBondContact O-N 3.46Å
273G88.6Confident83.8Confident39 Ų3966 Ų6640%0.40234%0.339SS..Hα-helixtrans-60.1-32.3179.200000113.2A269 Y277A269-G273 PolarHBondContact O-N 2.94Å; G273-Y277 WeakPolarHBondContact O-CB 3.17Å; G273-Y277 PolarHBondContact O-N 3.16Å; G273-Y277 VanDerWaalsContact O-N 3.1Å
274K87Confident82.6Confident91 Ų9164.5 Ų64.540%0.39635%0.347SS..Hα-helixtrans-73.9-39.1174.6-172.758.8176.6177.10112.5V235 R270 V271 C272 Y277 V278V235-K274 HydrophobicContact CG1-CB 3.71Å; V235-K274 HydrophobicContact CG1-CG 4.04Å; V235-K274 HydrophobicContact CG2-CB 4.45Å; V235-K274 HydrophobicContact CG2-CG 3.84Å; R270-K274 VanDerWaalsContact O-CB 3.3Å; R270-K274 WeakPolarHBondContact O-CB 3.37Å; R270-K274 PolarHBondContact O-N 3.42Å; V271-K274 PolarHBondContact O-N 3.26Å; V271-K274 VanDerWaalsContact O-N 3.14Å; C272-K274 PolarHBondContact O-N 3.38Å; C272-K274 VanDerWaalsContact O-N 3.16Å; K274-Y277 HydrophobicContact CD-CD1 4.26Å; K274-Y277 PolarHBondContact O-N 3.42Å; K274-V278 HydrophobicContact CD-CG2 4.31Å; K274-V278 HydrophobicContact CG-CG2 4.44Å; K274-V278 WeakPolarHBondContact O-CB 3.37Å; K274-V278 VanDerWaalsContact O-CG2 3.25Å; K274-V278 WeakPolarHBondContact O-CG2 3.31Å; K274-V278 PolarHBondContact O-N 2.84Å
275Q85Confident81.4Confident53 Ų5370.5 Ų70.525%0.24836%0.364CS..Hα-helixtrans-62.4-45.7175.4-74174.4-40.400110.5P117 L118 V271 C272 Y277 V278 S279P117-Q275 HydrophobicContact CB-CB 4.28Å; L118-Q275 PolarHBondContact O-NE2 3.03Å; L118-Q275 PolarHBondContact O-OE1 3.05Å; V271-Q275 HydrophobicContact CG1-CG 4.29Å; V271-Q275 WeakPolarHBondContact O-CG 3.43Å; V271-Q275 PolarHBondContact O-N 3.08Å; C272-Q275 WeakPolarHBondContact O-CB 3.44Å; C272-Q275 PolarHBondContact O-N 3.1Å; Q275-Y277 PolarHBondContact O-N 3.4Å; Q275-V278 PolarHBondContact O-N 3.2Å; Q275-S279 WeakPolarHBondContact O-CB 3.49Å; Q275-S279 PolarHBondContact O-N 3.32Å
276D82.7Confident80.1Confident56 Ų5668.9 Ų68.930%0.29935%0.352SS..Hα-helixtrans-60-46.6176.5-65-25.3000111.8C272 V278 S279 R280C272-D276 VanDerWaalsContact O-CG 3.3Å; C272-D276 PolarHBondContact O-N 3.46Å; D276-V278 VanDerWaalsContact C-N 3.34Å; D276-V278 PolarHBondContact O-N 3.28Å; D276-S279 PolarHBondContact O-N 3.16Å; D276-R280 WeakPolarHBondContact O-CG 3.31Å; D276-R280 PolarHBondContact O-N 2.99Å
277Y84.6Confident78.5Confident129 Ų12975.9 Ų75.951%0.50638%0.376SS..Hα-helixtrans-58.9-45.5175.8171.1-92.5000111.9G273 K274 Q275 N281G273-Y277 WeakPolarHBondContact O-CB 3.17Å; G273-Y277 PolarHBondContact O-N 3.16Å; G273-Y277 VanDerWaalsContact O-N 3.1Å; K274-Y277 HydrophobicContact CD-CD1 4.26Å; K274-Y277 PolarHBondContact O-N 3.42Å; Q275-Y277 PolarHBondContact O-N 3.4Å; Y277-N281 VanDerWaalsContact O-CB 3.28Å; Y277-N281 WeakPolarHBondContact O-CB 3.45Å; Y277-N281 PolarHBondContact O-N 2.77Å
278V78.9Confident76.8Confident53 Ų5378.4 Ų78.432%0.32139%0.393SS..Hα-helixtrans-66.6-43.8-179.1169.30000110.6L115 K274 Q275 D276 N281 S282L115-V278 HydrophobicContact CD1-CG1 3.46Å; L115-V278 VanDerWaalsContact CD1-CG1 3.46Å; K274-V278 HydrophobicContact CD-CG2 4.31Å; K274-V278 HydrophobicContact CG-CG2 4.44Å; K274-V278 WeakPolarHBondContact O-CB 3.37Å; K274-V278 VanDerWaalsContact O-CG2 3.25Å; K274-V278 WeakPolarHBondContact O-CG2 3.31Å; K274-V278 PolarHBondContact O-N 2.84Å; Q275-V278 PolarHBondContact O-N 3.2Å; D276-V278 VanDerWaalsContact C-N 3.34Å; D276-V278 PolarHBondContact O-N 3.28Å; V278-N281 PolarHBondContact O-N 3.02Å; V278-S282 PolarHBondContact O-N 2.81Å; V278-S282 PolarHBondContact O-OG 3.31Å
279S76.4Confident75.1Confident23 Ų2386.2 Ų86.216%0.16142%0.423CS..Hα-helixtrans-55.7-56.5176.2-168.20000110.8L115 Q275 D276 N281 S282 D283L115-S279 PolarHBondContact O-OG 3.2Å; Q275-S279 WeakPolarHBondContact O-CB 3.49Å; Q275-S279 PolarHBondContact O-N 3.32Å; D276-S279 PolarHBondContact O-N 3.16Å; S279-N281 VanDerWaalsContact C-N 3.31Å; S279-N281 PolarHBondContact O-N 2.63Å; S279-S282 WeakPolarHBondContact CA-OG 3.46Å; S279-S282 PolarHBondContact O-N 2.9Å; S279-S282 VanDerWaalsContact O-N 3.08Å; S279-S282 PolarHBondContact O-OG 3.4Å; S279-D283 PolarHBondContact O-N 2.85Å; S279-D283 VanDerWaalsContact O-OD2 3.11Å
280R75.1Confident73.4Confident180 Ų18088.3 Ų88.368%0.67943%0.431SS*.Hα-helixtrans-58.4-41.7179.8-68176.5-166.2151.67.3112.4D276 D283 G284D276-R280 WeakPolarHBondContact O-CG 3.31Å; D276-R280 PolarHBondContact O-N 2.99Å; R280-D283 PolarHBondContact O-N 3.08Å; R280-G284 PolarHBondContact O-N 3.36Å
281N75.5Confident71.6Confident57 Ų5789.2 Ų89.231%0.30545%0.447SS..Hα-helixtrans-70.7-34178.5178.681.5000112.3Y277 V278 S279 R285Y277-N281 VanDerWaalsContact O-CB 3.28Å; Y277-N281 WeakPolarHBondContact O-CB 3.45Å; Y277-N281 PolarHBondContact O-N 2.77Å; V278-N281 PolarHBondContact O-N 3.02Å; S279-N281 VanDerWaalsContact C-N 3.31Å; S279-N281 PolarHBondContact O-N 2.63Å; N281-R285 WeakPolarHBondContact O-CB 3.37Å; N281-R285 WeakPolarHBondContact O-CG 3.36Å; N281-R285 PolarHBondContact O-N 2.94Å; N281-R285 PolarHBondContact OD1-NE 2.83Å
282S68.5Low70Confident7 Ų796.1 Ų96.15%0.04948%0.483CS..Hα-helixtrans-67.3-41.6171.642.30000111.9V278 S279 R285 R286V278-S282 PolarHBondContact O-N 2.81Å; V278-S282 PolarHBondContact O-OG 3.31Å; S279-S282 WeakPolarHBondContact CA-OG 3.46Å; S279-S282 PolarHBondContact O-N 2.9Å; S279-S282 VanDerWaalsContact O-N 3.08Å; S279-S282 PolarHBondContact O-OG 3.4Å; S282-R285 PolarHBondContact O-N 3.43Å; S282-R286 WeakPolarHBondContact O-CB 3.29Å; S282-R286 WeakPolarHBondContact O-CG 3.17Å; S282-R286 PolarHBondContact O-N 2.73Å
283D66.5Low68.5Low67 Ų6798.6 Ų98.636%0.35849%0.492SS..Hα-helixtrans-64.8-45.7-179.6-61.6-27.1000110.9S279 R280 R285 K287S279-D283 PolarHBondContact O-N 2.85Å; S279-D283 VanDerWaalsContact O-OD2 3.11Å; R280-D283 PolarHBondContact O-N 3.08Å; D283-R285 PolarHBondContact O-N 3.28Å; D283-K287 PolarHBondContact O-N 3.21Å
284G63.4Low66.8Low65 Ų65101.7 Ų101.767%0.6750%0.503SS*.Hα-helixtrans-64.1-35.5177.800000114.1R280R280-G284 PolarHBondContact O-N 3.36Å
285R62Low65.1Low198 Ų198107.1 Ų107.175%0.74753%0.529SS*.Hα-helixtrans-85.2-36.2179.5-71-174.6-172.4-155.9-3.1113.9N281 S282 D283N281-R285 WeakPolarHBondContact O-CB 3.37Å; N281-R285 WeakPolarHBondContact O-CG 3.36Å; N281-R285 PolarHBondContact O-N 2.94Å; N281-R285 PolarHBondContact OD1-NE 2.83Å; S282-R285 PolarHBondContact O-N 3.43Å; D283-R285 PolarHBondContact O-N 3.28Å
286R61.7Low63.4Low113 Ų113108 Ų10843%0.42655%0.553SS.*Hα-helixtrans-99.7-13-165.6-62.1-179.7174.7175.4-3.6114H112 S282H112-R286 VanDerWaalsContact CB-NH1 3.26Å; H112-R286 PolarHBondContact CD2-NH2 3.42Å; H112-R286 VanDerWaalsContact CG-NH2 3.28Å; S282-R286 WeakPolarHBondContact O-CB 3.29Å; S282-R286 WeakPolarHBondContact O-CG 3.17Å; S282-R286 PolarHBondContact O-N 2.73Å
287K56.5Low61.7Low179 Ų179109.2 Ų109.278%0.77856%0.559SS**  trans43.363-175.4-65.7-175.3178.8-176.60111D283 R289D283-K287 PolarHBondContact O-N 3.21Å; K287-R289 PolarHBondContact O-N 2.95Å
288P54.5Low59.9Low58 Ų58112 Ų11238%0.37758%0.58SS.*  trans-55.8128.2-174.723.4-32.4000110P290P288-P290 WeakPolarHBondContact O-CD 3.3Å
289R53.6Low58.4Low232 Ų232116 Ų11688%0.87559%0.59SS**  trans-85113.6163.4-63-175.5-139.2-1664.6105.8K287K287-R289 PolarHBondContact O-N 2.95Å
290P54.1Low56.7Low101 Ų101121.7 Ų121.766%0.65662%0.624SS**  trans-55.3137.8170.623.5-30.7000107.8P288 N292P288-P290 WeakPolarHBondContact O-CD 3.3Å; P290-N292 PolarHBondContact O-N 2.95Å
291P53.3Low55.1Low94 Ų94119.9 Ų119.961%0.6162%0.617SS**  trans-59.5128.4172.524-30.2000108.4L293P291-L293 HydrophobicContact CB-CB 4.48Å; P291-L293 HydrophobicContact CB-CD1 3.82Å; P291-L293 HydrophobicContact CB-CG 3.96Å; P291-L293 HydrophobicContact CG-CD1 4.35Å; P291-L293 PolarHBondContact O-N 2.88Å
292N54.3Low53.3Low160 Ų160128.6 Ų128.686%0.85665%0.646SS**  trans-73.367.1168.2-77.1-8.9000108.2P290P290-N292 PolarHBondContact O-N 2.95Å
293L55.7Low51.8Low115 Ų115131.8 Ų131.860%0.60267%0.667SS**  trans-111.9124.3175.4-69.9170.1000108.4P291 D297P291-L293 HydrophobicContact CB-CB 4.48Å; P291-L293 HydrophobicContact CB-CD1 3.82Å; P291-L293 HydrophobicContact CB-CG 3.96Å; P291-L293 HydrophobicContact CG-CD1 4.35Å; P291-L293 PolarHBondContact O-N 2.88Å; L293-D297 VanDerWaalsContact CA-OD2 3.31Å; L293-D297 WeakPolarHBondContact CA-OD2 3.42Å; L293-D297 HydrophobicContact CD2-CB 4.12Å
294V53.7Low50.4Low105 Ų105134.1 Ų134.164%0.63668%0.678SS**  trans-98.9147173.5-172.90000108.6G296 D297V294-G296 PolarHBondContact O-N 3.04Å; V294-G296 VanDerWaalsContact O-N 3.11Å; V294-D297 PolarHBondContact N-OD2 3.36Å; V294-D297 WeakPolarHBondContact O-CB 3.37Å; V294-D297 PolarHBondContact O-N 2.97Å
295Q51.1Low49Very low204 Ų204138 Ų13895%0.95368%0.679SS**THydrogen-bonded Turntrans-55.5120172.8-175.7178.31.400109.4
296G50.2Low47.7Very low73 Ų73130.1 Ų130.175%0.75366%0.659SS**THydrogen-bonded Turntrans109.2-13.2-173.600000114.5V294 M298V294-G296 PolarHBondContact O-N 3.04Å; V294-G296 VanDerWaalsContact O-N 3.11Å; G296-M298 PolarHBondContact O-N 3.44Å
297D45.4Very low46.6Very low80 Ų80128 Ų12843%0.42865%0.653SS.*  trans-62128.9176.7-78.7-10.8000111.9L293 V294L293-D297 VanDerWaalsContact CA-OD2 3.31Å; L293-D297 WeakPolarHBondContact CA-OD2 3.42Å; L293-D297 HydrophobicContact CD2-CB 4.12Å; V294-D297 PolarHBondContact N-OD2 3.36Å; V294-D297 WeakPolarHBondContact O-CB 3.37Å; V294-D297 PolarHBondContact O-N 2.97Å
298M47.9Very low45.6Very low189 Ų189122.4 Ų122.493%0.93164%0.635SS**  trans-81.9128.5170.3-65.1-169.7-65.700110G296G296-M298 PolarHBondContact O-N 3.44Å
299Y46.6Very low44.7Very low136 Ų136121.7 Ų121.753%0.53363%0.63SS.*  trans-114.9148.1171.665.9-83.8000110.8R301Y299-R301 HydrophobicContact CE2-CG 4.25Å; Y299-R301 PolarHBondContact O-N 3.42Å; Y299-R301 VanDerWaalsContact O-N 3.1Å
300T40.5Very low43.8Very low143 Ų143118.8 Ų118.888%0.87763%0.628SS**  trans-71.8107176.434.50000110.2R302T300-R302 PolarHBondContact O-N 3.45Å
301R41.7Very low43.1Very low142 Ų142118 Ų11854%0.53662%0.619SS.*  trans-61.6117.4167.6-113.1-179179.5-175.9-1.7108.1Y299 C303Y299-R301 HydrophobicContact CE2-CG 4.25Å; Y299-R301 PolarHBondContact O-N 3.42Å; Y299-R301 VanDerWaalsContact O-N 3.1Å; R301-C303 PolarHBondContact O-N 3.35Å
302R37.7Very low42.5Very low240 Ų240117.4 Ų117.491%0.90662%0.617SS**  trans-71.481.8162.6-159.3-177.4-144.1171.18.1107.2T300 I304T300-R302 PolarHBondContact O-N 3.45Å; R302-I304 PolarHBondContact O-N 3.02Å
303C37.1Very low41.6Very low74 Ų74114.4 Ų114.450%0.560%0.604SS.*  trans-57.5115168.2-83.60000107R301 E305R301-C303 PolarHBondContact O-N 3.35Å; C303-E305 PolarHBondContact O-N 3.44Å
304I36.9Very low40.5Very low115 Ų115112.9 Ų112.959%0.5961%0.608SS**  trans-68.988.7159.9-57.8175.9000104.3K164 R302 G306K164-I304 WeakPolarHBondContact CE-O 3.37Å; K164-I304 PolarHBondContact NZ-O 3.27Å; R302-I304 PolarHBondContact O-N 3.02Å; I304-G306 PolarHBondContact O-N 3.12Å
305E34.2Very low39.6Very low148 Ų148114.4 Ų114.469%0.69261%0.612SS**SBendtrans-52.2128.3173.5-69.1174.4174.500108.3C303C303-E305 PolarHBondContact O-N 3.44Å
306G35.6Very low38.8Very low32 Ų32111.6 Ų111.633%0.3360%0.604SS.*  trans124.327.8177.200000118.8I304I304-G306 PolarHBondContact O-N 3.12Å
307F37.8Very low38.3Very low67 Ų67113 Ų11329%0.29459%0.594SS.*  trans-130.1118.9158.2-67-95.5000109.1K164K164-F307 HydrophobicContact CB-CB 3.58Å; K164-F307 HydrophobicContact CB-CD2 3.97Å; K164-F307 HydrophobicContact CB-CG 3.95Å; K164-F307 HydrophobicContact CD-CB 3.57Å; K164-F307 HydrophobicContact CD-CD2 4.07Å; K164-F307 HydrophobicContact CD-CG 4.28Å; K164-F307 HydrophobicContact CG-CB 4.22Å; K164-F307 HydrophobicContact CG-CD2 4.43Å
308P36.5Very low38Very low63 Ų63120 Ų12041%0.40962%0.615SS.*  trans-72.3136162.225.9-24.2000108.5V313 Q424P308-V313 HydrophobicContact CB-CG2 4.38Å; P308-Q424 VanDerWaalsContact CA-NE2 3.31Å; P308-Q424 VanDerWaalsContact CD-CD 3.46Å
309T34.8Very low38.2Very low42 Ų42112.8 Ų112.826%0.25858%0.582SS.*  trans-74138.5147.753.10000107D311 S312T309-D311 PolarHBondContact O-N 3.29Å; T309-S312 PolarHBondContact O-N 3.28Å; T309-S312 PolarHBondContact O-OG 3.33Å; T309-S312 WeakPolarHBondContact OG1-CB 3.47Å; T309-S312 PolarHBondContact OG1-N 3.35Å; T309-S312 PolarHBondContact OG1-OG 2.96Å
310M35.5Very low39Very low171 Ų171109.8 Ų109.884%0.84258%0.578SS**G310 helixtrans-55.6-30.2170.1-83-145.178.900111.1S312 V313M310-S312 PolarHBondContact O-N 3.17Å; M310-V313 PolarHBondContact O-N 3.39Å
311D39.4Very low40.1Very low85 Ų85110.5 Ų110.546%0.45557%0.571SS.*G310 helixtrans-76.1-19.2-174.4-51.3-33.8000114.4T309T309-D311 PolarHBondContact O-N 3.29Å
312S39.1Very low41.2Very low82 Ų82110.6 Ų110.657%0.57358%0.578SS**G310 helixtrans-89.5-5.1176.660.50000114.1T309 M310T309-S312 PolarHBondContact O-N 3.28Å; T309-S312 PolarHBondContact O-OG 3.33Å; T309-S312 WeakPolarHBondContact OG1-CB 3.47Å; T309-S312 PolarHBondContact OG1-N 3.35Å; T309-S312 PolarHBondContact OG1-OG 2.96Å; M310-S312 PolarHBondContact O-N 3.17Å
313V35.7Very low42.5Very low97 Ų97101.1 Ų101.159%0.58854%0.544SS*.THydrogen-bonded Turntrans-92.5-26.1179.1-176.30000111.6P308 M310 D315P308-V313 HydrophobicContact CB-CG2 4.38Å; M310-V313 PolarHBondContact O-N 3.39Å; V313-D315 PolarHBondContact O-N 2.93Å
314A33.6Very low43.7Very low82 Ų82102.8 Ų102.868%0.67854%0.543SS*.SBendtrans-68.6-36.1-171.600000113.7
315D34.2Very low45.3Very low137 Ų137103.4 Ų103.473%0.73354%0.543SS*.SBendtrans-109.9-8.5-156.8-90.7-0.3000119.5V313V313-D315 PolarHBondContact O-N 2.93Å
316N34.5Very low47Very low145 Ų14597.6 Ų97.678%0.77552%0.517SS*.SBendtrans-161.527.2-177.5-98.1-45.8000119.8
317L39.1Very low48.5Very low103 Ų10396.1 Ų96.154%0.53950%0.501SS..  trans-125.784.1-179.6-132.772.1000112.1V319 R422L317-V319 VanDerWaalsContact C-N 3.33Å; L317-V319 PolarHBondContact O-N 3.45Å; L317-R422 VanDerWaalsContact CD1-NH2 3.35Å; L317-R422 VanDerWaalsContact CG-NH2 3.27Å
318Y40.5Very low50Low226 Ų22697.9 Ų97.989%0.88651%0.514SS*.  trans-61100.3161.8-79.1-89000107.9
319V51.6Low51.9Low38 Ų3899.8 Ų99.823%0.2352%0.517CS..  trans-84.1122.3162.3-178.40000105.4L317 E323 K324 F423L317-V319 VanDerWaalsContact C-N 3.33Å; L317-V319 PolarHBondContact O-N 3.45Å; V319-E323 HydrophobicContact CG1-CB 3.68Å; V319-K324 HydrophobicContact CG1-CG 3.8Å; V319-F423 HydrophobicContact CG1-CE1 4.3Å; V319-F423 HydrophobicContact CG1-CE2 4.05Å; V319-F423 HydrophobicContact CG1-CZ 3.48Å; V319-F423 VanDerWaalsContact CG1-CZ 3.48Å
320T62.9Low53.7Low74 Ų7497.9 Ų97.945%0.45451%0.505SS..  trans-61.9150.117760.70000109.7Q322 E323 K324T320-Q322 PolarHBondContact O-N 2.95Å; T320-E323 PolarHBondContact N-OE2 2.9Å; T320-E323 PolarHBondContact O-N 3.19Å; T320-E323 WeakPolarHBondContact OG1-CB 3.25Å; T320-E323 WeakPolarHBondContact OG1-CG 3.28Å; T320-E323 PolarHBondContact OG1-N 3.21Å; T320-E323 VanDerWaalsContact OG1-N 3.16Å; T320-E323 PolarHBondContact OG1-OE2 3.31Å; T320-K324 PolarHBondContact O-N 2.93Å; T320-K324 VanDerWaalsContact O-N 3.13Å
321E64.3Low55.2Low157 Ų15790.6 Ų90.673%0.73447%0.471SS*.Hα-helixtrans-58.3-36.3178.1-160.5162.2-156.500111K324 E325E321-K324 WeakPolarHBondContact O-CB 3.34Å; E321-K324 PolarHBondContact O-N 3.05Å; E321-E325 PolarHBondContact O-N 3.06Å
322Q65.2Low57Low145 Ų14593.1 Ų93.168%0.67848%0.475SS*.Hα-helixtrans-59.6-45.8170.6-79.5-177.6-17.300113.5T320 K324 E325 I326T320-Q322 PolarHBondContact O-N 2.95Å; Q322-K324 VanDerWaalsContact C-N 3.27Å; Q322-K324 PolarHBondContact O-N 3.31Å; Q322-E325 PolarHBondContact O-N 2.83Å; Q322-I326 WeakPolarHBondContact O-CB 3.47Å; Q322-I326 WeakPolarHBondContact O-CD1 3.26Å; Q322-I326 WeakPolarHBondContact O-CG1 3.19Å; Q322-I326 PolarHBondContact O-N 2.8Å
323E63.8Low58.7Low40 Ų4089.6 Ų89.619%0.18745%0.45CS..Hα-helixtrans-63-35.2177.9-78.8170.8131.300112.1V319 T320 V327 L419V319-E323 HydrophobicContact CG1-CB 3.68Å; T320-E323 PolarHBondContact N-OE2 2.9Å; T320-E323 PolarHBondContact O-N 3.19Å; T320-E323 WeakPolarHBondContact OG1-CB 3.25Å; T320-E323 WeakPolarHBondContact OG1-CG 3.28Å; T320-E323 PolarHBondContact OG1-N 3.21Å; T320-E323 VanDerWaalsContact OG1-N 3.16Å; T320-E323 PolarHBondContact OG1-OE2 3.31Å; E323-V327 WeakPolarHBondContact O-CG2 3.43Å; E323-V327 PolarHBondContact O-N 3.44Å; E323-V327 VanDerWaalsContact O-N 3.12Å; E323-L419 HydrophobicContact CB-CD2 4.19Å; E323-L419 HydrophobicContact CG-CD1 4.21Å; E323-L419 HydrophobicContact CG-CD2 4.27Å
324K63.2Low60.2Low110 Ų11086.3 Ų86.348%0.47843%0.429SS..Hα-helixtrans-63.9-50.9173.3-84.3178.2178.9173.50111.8V319 T320 E321 Q322 I326 V327 D328 F423V319-K324 HydrophobicContact CG1-CG 3.8Å; T320-K324 PolarHBondContact O-N 2.93Å; T320-K324 VanDerWaalsContact O-N 3.13Å; E321-K324 WeakPolarHBondContact O-CB 3.34Å; E321-K324 PolarHBondContact O-N 3.05Å; Q322-K324 VanDerWaalsContact C-N 3.27Å; Q322-K324 PolarHBondContact O-N 3.31Å; K324-I326 VanDerWaalsContact C-N 3.27Å; K324-I326 PolarHBondContact O-N 3.37Å; K324-V327 PolarHBondContact O-N 3.36Å; K324-V327 VanDerWaalsContact O-N 3.08Å; K324-D328 PolarHBondContact O-N 2.94Å; K324-F423 HydrophobicContact CB-CZ 4.41Å; K324-F423 HydrophobicContact CG-CE1 3.87Å; K324-F423 HydrophobicContact CG-CZ 3.8Å
325E70.5Confident61.8Low127 Ų12786.1 Ų86.159%0.59342%0.416SS*.Hα-helixtrans-57.1-43177.8-72.6-177.6163.500111.6E321 Q322 V327 D328 E329E321-E325 PolarHBondContact O-N 3.06Å; Q322-E325 PolarHBondContact O-N 2.83Å; E325-V327 VanDerWaalsContact C-N 3.31Å; E325-V327 PolarHBondContact O-N 3.2Å; E325-D328 PolarHBondContact O-N 2.71Å; E325-E329 WeakPolarHBondContact O-CB 3.4Å; E325-E329 PolarHBondContact O-N 3.07Å
326I69.8Low63.9Low26 Ų2683.3 Ų83.313%0.13340%0.398CS..Hα-helixtrans-60.1-42.4177.5-72.2167.3000111.1Q322 K324 F330 F372 L379 T416 L419Q322-I326 WeakPolarHBondContact O-CB 3.47Å; Q322-I326 WeakPolarHBondContact O-CD1 3.26Å; Q322-I326 WeakPolarHBondContact O-CG1 3.19Å; Q322-I326 PolarHBondContact O-N 2.8Å; K324-I326 VanDerWaalsContact C-N 3.27Å; K324-I326 PolarHBondContact O-N 3.37Å; I326-F330 WeakPolarHBondContact O-CB 3.41Å; I326-F330 PolarHBondContact O-N 2.82Å; I326-F372 HydrophobicContact CB-CZ 4.15Å; I326-F372 HydrophobicContact CG1-CZ 4.48Å; I326-F372 HydrophobicContact CG2-CE1 3.77Å; I326-F372 HydrophobicContact CG2-CZ 3.67Å; I326-F372 WeakPolarHBondContact O-CE1 3.39Å; I326-F372 WeakPolarHBondContact O-CZ 3.46Å; I326-L379 HydrophobicContact CD1-CD2 4.02Å; I326-T416 HydrophobicContact CG2-CG2 4.48Å; I326-L419 HydrophobicContact CG2-CD2 4.04Å
327V66.7Low65.6Low1 Ų176.9 Ų76.91%0.00636%0.364CS..Hα-helixtrans-72-41.8179.61700000112.3E323 K324 E325 F330 C331 L419 V420 F423 L425E323-V327 WeakPolarHBondContact O-CG2 3.43Å; E323-V327 PolarHBondContact O-N 3.44Å; E323-V327 VanDerWaalsContact O-N 3.12Å; K324-V327 PolarHBondContact O-N 3.36Å; K324-V327 VanDerWaalsContact O-N 3.08Å; E325-V327 VanDerWaalsContact C-N 3.31Å; E325-V327 PolarHBondContact O-N 3.2Å; V327-F330 PolarHBondContact O-N 3.14Å; V327-C331 WeakPolarHBondContact O-CB 3.33Å; V327-C331 PolarHBondContact O-N 3.03Å; V327-L419 HydrophobicContact CG2-CB 4.29Å; V327-L419 HydrophobicContact CG2-CD2 3.49Å; V327-L419 VanDerWaalsContact CG2-CD2 3.49Å; V327-L419 HydrophobicContact CG2-CG 3.93Å; V327-V420 HydrophobicContact CG1-CG2 4.43Å; V327-V420 HydrophobicContact CG2-CG2 4.21Å; V327-F423 HydrophobicContact CB-CD2 3.84Å; V327-F423 HydrophobicContact CB-CE1 4.48Å; V327-F423 HydrophobicContact CB-CE2 3.73Å; V327-F423 HydrophobicContact CB-CG 4.22Å; V327-F423 HydrophobicContact CB-CZ 4.01Å; V327-F423 HydrophobicContact CG1-CB 3.88Å; V327-F423 HydrophobicContact CG1-CD1 4.12Å; V327-F423 HydrophobicContact CG1-CD2 3.74Å; V327-F423 HydrophobicContact CG1-CE1 4.47Å; V327-F423 HydrophobicContact CG1-CE2 4.12Å; V327-F423 HydrophobicContact CG1-CG 3.68Å; V327-F423 HydrophobicContact CG1-CZ 4.42Å; V327-F423 HydrophobicContact CG2-CD2 3.33Å; V327-F423 HydrophobicContact CG2-CE2 3.21Å; V327-F423 HydrophobicContact CG2-CG 4.16Å; V327-F423 HydrophobicContact CG2-CZ 3.98Å; V327-L425 HydrophobicContact CG1-CD1 3.48Å; V327-L425 VanDerWaalsContact CG1-CD1 3.48Å
328D68.5Low66.9Low104 Ų10477.4 Ų77.456%0.55636%0.359SS*.Hα-helixtrans-63.3-43.2178.7-75.4-20.5000111.1K324 E325 C331 Y332K324-D328 PolarHBondContact O-N 2.94Å; E325-D328 PolarHBondContact O-N 2.71Å; D328-C331 PolarHBondContact O-N 3.16Å; D328-Y332 WeakPolarHBondContact O-CB 3.41Å; D328-Y332 PolarHBondContact O-N 2.84Å
329E77.2Confident68.4Low103 Ų10373.4 Ų73.448%0.48135%0.348SS..Hα-helixtrans-63-45.1174.9-171.5175.5179.100111.6E325 C331 Y332 L333 F372E325-E329 WeakPolarHBondContact O-CB 3.4Å; E325-E329 PolarHBondContact O-N 3.07Å; E329-C331 VanDerWaalsContact C-N 3.33Å; E329-C331 PolarHBondContact O-N 2.89Å; E329-Y332 PolarHBondContact O-N 3.03Å; E329-L333 HydrophobicContact CG-CD1 4.28Å; E329-L333 WeakPolarHBondContact O-CG 3.45Å; E329-L333 PolarHBondContact O-N 3.5Å; E329-F372 HydrophobicContact CB-CE2 4.01Å; E329-F372 HydrophobicContact CB-CZ 4.18Å; E329-F372 HydrophobicContact CG-CD2 4.33Å; E329-F372 HydrophobicContact CG-CE2 3.87Å; E329-F372 HydrophobicContact CG-CZ 4.49Å; E329-F372 VanDerWaalsContact OE2-CE2 3.29Å; E329-F372 WeakPolarHBondContact OE2-CE2 3.44Å
330F72.1Confident69.4Low3 Ų372.9 Ų72.91%0.01334%0.344CS..Hα-helixtrans-59.8-44.3176.6-176.4-97.8000111.9I326 V327 L333 L334 L369 F372 Q373 V420I326-F330 WeakPolarHBondContact O-CB 3.41Å; I326-F330 PolarHBondContact O-N 2.82Å; V327-F330 PolarHBondContact O-N 3.14Å; F330-L333 PolarHBondContact O-N 3.08Å; F330-L334 HydrophobicContact CE1-CD1 3.84Å; F330-L334 HydrophobicContact CZ-CD1 3.96Å; F330-L334 VanDerWaalsContact O-CB 3.3Å; F330-L334 WeakPolarHBondContact O-CB 3.32Å; F330-L334 PolarHBondContact O-N 2.58Å; F330-L369 HydrophobicContact CD2-CD1 4.02Å; F330-L369 HydrophobicContact CE2-CD1 3.83Å; F330-L369 HydrophobicContact CE2-CG 4.19Å; F330-L369 HydrophobicContact CZ-CD1 4.41Å; F330-F372 HydrophobicContact CB-CD1 4.19Å; F330-F372 HydrophobicContact CB-CE1 3.76Å; F330-F372 HydrophobicContact CB-CZ 4.46Å; F330-F372 AromaticContact CD2-CD1 3.81Å; F330-F372 HydrophobicContact CD2-CD1 3.81Å; F330-F372 HydrophobicContact CD2-CE1 4.17Å; F330-F372 HydrophobicContact CG-CD1 4.49Å; F330-F372 HydrophobicContact CG-CE1 4.43Å; F330-Q373 HydrophobicContact CE2-CG 3.72Å; F330-V420 HydrophobicContact CB-CG2 4.26Å; F330-V420 HydrophobicContact CD1-CB 4.21Å; F330-V420 HydrophobicContact CD1-CG1 3.99Å; F330-V420 HydrophobicContact CD1-CG2 3.26Å; F330-V420 HydrophobicContact CE1-CB 4.3Å; F330-V420 HydrophobicContact CE1-CG1 3.94Å; F330-V420 HydrophobicContact CE1-CG2 3.75Å; F330-V420 HydrophobicContact CG-CG2 3.9Å
331C66.9Low69.6Low18 Ų1869.5 Ų69.512%0.12232%0.323CS..Hα-helixtrans-70.1-35.4-179.5-79.50000112.9V327 D328 E329 L334 N335 L425V327-C331 WeakPolarHBondContact O-CB 3.33Å; V327-C331 PolarHBondContact O-N 3.03Å; D328-C331 PolarHBondContact O-N 3.16Å; E329-C331 VanDerWaalsContact C-N 3.33Å; E329-C331 PolarHBondContact O-N 2.89Å; C331-L334 PolarHBondContact O-N 3.1Å; C331-N335 PolarHBondContact O-N 2.96Å; C331-L425 HydrophobicContact CB-CD1 4.26Å; C331-L425 WeakPolarHBondContact SG-CD1 3.44Å
332Y78.5Confident69.8Low137 Ų13766.1 Ų66.154%0.53731%0.31SS..Hα-helixtrans-60.4-51169.9169.7-105.7000111.5D328 E329 L334 N335 K336D328-Y332 WeakPolarHBondContact O-CB 3.41Å; D328-Y332 PolarHBondContact O-N 2.84Å; E329-Y332 PolarHBondContact O-N 3.03Å; Y332-L334 VanDerWaalsContact C-N 3.28Å; Y332-L334 PolarHBondContact O-N 2.92Å; Y332-N335 PolarHBondContact O-N 3.47Å; Y332-K336 HydrophobicContact CE1-CD 4.25Å; Y332-K336 WeakPolarHBondContact O-CB 3.41Å; Y332-K336 PolarHBondContact O-N 3.33Å; Y332-K336 PolarHBondContact OH-NZ 3.46Å; Y332-K336 VanDerWaalsContact OH-NZ 3.14Å
333L73.8Confident70Confident9 Ų960.3 Ų60.35%0.04729%0.289CS..Hα-helixtrans-60.7-38.1177.7-71172.2000111.9E329 F330 K336 S337 V365 K368 L369 F372E329-L333 HydrophobicContact CG-CD1 4.28Å; E329-L333 WeakPolarHBondContact O-CG 3.45Å; E329-L333 PolarHBondContact O-N 3.5Å; F330-L333 PolarHBondContact O-N 3.08Å; L333-K336 PolarHBondContact O-N 2.65Å; L333-S337 WeakPolarHBondContact O-CB 3.44Å; L333-S337 PolarHBondContact O-N 2.92Å; L333-S337 PolarHBondContact O-OG 3.42Å; L333-V365 HydrophobicContact CD2-CG1 4.49Å; L333-K368 HydrophobicContact CD1-CB 4.34Å; L333-K368 HydrophobicContact CD2-CB 3.9Å; L333-K368 HydrophobicContact CD2-CD 4.46Å; L333-L369 HydrophobicContact CB-CB 4.49Å; L333-L369 HydrophobicContact CB-CD1 3.45Å; L333-L369 VanDerWaalsContact CB-CD1 3.45Å; L333-F372 HydrophobicContact CD1-CB 4.31Å; L333-F372 HydrophobicContact CD1-CD2 4.4Å; L333-F372 HydrophobicContact CD1-CG 4.38Å
334L66.5Low70Confident27 Ų2758.6 Ų58.614%0.14128%0.281CS..Hα-helixtrans-67.5-41.1178.1-163.9109.5000112.3F330 C331 Y332 S337 R338 L369 Q428F330-L334 HydrophobicContact CE1-CD1 3.84Å; F330-L334 HydrophobicContact CZ-CD1 3.96Å; F330-L334 VanDerWaalsContact O-CB 3.3Å; F330-L334 WeakPolarHBondContact O-CB 3.32Å; F330-L334 PolarHBondContact O-N 2.58Å; C331-L334 PolarHBondContact O-N 3.1Å; Y332-L334 VanDerWaalsContact C-N 3.28Å; Y332-L334 PolarHBondContact O-N 2.92Å; L334-S337 PolarHBondContact O-OG 2.65Å; L334-R338 WeakPolarHBondContact O-CG 3.39Å; L334-R338 PolarHBondContact O-N 3.17Å; L334-L369 HydrophobicContact CB-CD1 4.37Å; L334-Q428 HydrophobicContact CD2-CG 3.82Å
335N69Low70Confident78 Ų7859.9 Ų59.942%0.41728%0.283SS..Hα-helixtrans-70-39.8175.7-86-27.7000112.1C331 Y332 S337 R338 Q339C331-N335 PolarHBondContact O-N 2.96Å; Y332-N335 PolarHBondContact O-N 3.47Å; N335-S337 PolarHBondContact O-N 3.45Å; N335-R338 WeakPolarHBondContact O-CB 3.49Å; N335-R338 PolarHBondContact O-N 3.04Å; N335-R338 PolarHBondContact OD1-NH1 3.48Å; N335-Q339 PolarHBondContact O-N 3Å; N335-Q339 VanDerWaalsContact O-N 3.14Å
336K77.1Confident69.7Low79 Ų7960 Ų6034%0.34329%0.288SS..Hα-helixtrans-63.3-40.5177.1-166.3170.9-172.7166.70111.9Y332 L333 R338 Q339 L340 V365Y332-K336 HydrophobicContact CE1-CD 4.25Å; Y332-K336 WeakPolarHBondContact O-CB 3.41Å; Y332-K336 PolarHBondContact O-N 3.33Å; Y332-K336 PolarHBondContact OH-NZ 3.46Å; Y332-K336 VanDerWaalsContact OH-NZ 3.14Å; L333-K336 PolarHBondContact O-N 2.65Å; K336-R338 VanDerWaalsContact C-N 3.35Å; K336-R338 PolarHBondContact O-N 2.61Å; K336-Q339 PolarHBondContact O-N 2.81Å; K336-L340 HydrophobicContact CG-CD1 4.24Å; K336-L340 WeakPolarHBondContact O-CG 3.28Å; K336-L340 PolarHBondContact O-N 3.09Å; K336-L340 VanDerWaalsContact O-N 3.09Å; K336-V365 HydrophobicContact CB-CG1 4.06Å; K336-V365 HydrophobicContact CD-CG1 4.4Å; K336-V365 HydrophobicContact CD-CG2 3.87Å; K336-V365 HydrophobicContact CG-CG1 4.14Å; K336-V365 HydrophobicContact CG-CG2 4.06Å
337S70.1Confident69.4Low9 Ų961 Ų616%0.06329%0.293CS..Hα-helixtrans-63.7-38176.671.40000112.5L333 L334 N335 L340 F341L333-S337 WeakPolarHBondContact O-CB 3.44Å; L333-S337 PolarHBondContact O-N 2.92Å; L333-S337 PolarHBondContact O-OG 3.42Å; L334-S337 PolarHBondContact O-OG 2.65Å; N335-S337 PolarHBondContact O-N 3.45Å; S337-L340 PolarHBondContact O-N 2.99Å; S337-F341 WeakPolarHBondContact O-CB 3.3Å; S337-F341 PolarHBondContact O-N 3.35Å
338R65.9Low69Low114 Ų11469 Ų6943%0.4333%0.33SS..Hα-helixtrans-62.1-46.3173.7-73.217366.7-159.32.2112.5L334 N335 K336 L340 F341 N342L334-R338 WeakPolarHBondContact O-CG 3.39Å; L334-R338 PolarHBondContact O-N 3.17Å; N335-R338 WeakPolarHBondContact O-CB 3.49Å; N335-R338 PolarHBondContact O-N 3.04Å; N335-R338 PolarHBondContact OD1-NH1 3.48Å; K336-R338 VanDerWaalsContact C-N 3.35Å; K336-R338 PolarHBondContact O-N 2.61Å; R338-L340 VanDerWaalsContact C-N 3.34Å; R338-L340 PolarHBondContact O-N 2.86Å; R338-F341 PolarHBondContact O-N 3.26Å; R338-N342 WeakPolarHBondContact O-CB 3.34Å; R338-N342 PolarHBondContact O-N 2.95Å
339Q73.2Confident68.5Low143 Ų14368 Ų6867%0.66833%0.328SS*.Hα-helixtrans-61.4-44.7179.5-69.7177.516.500111.1N335 K336 N342 G343N335-Q339 PolarHBondContact O-N 3Å; N335-Q339 VanDerWaalsContact O-N 3.14Å; K336-Q339 PolarHBondContact O-N 2.81Å; Q339-N342 PolarHBondContact O-N 3.29Å; Q339-G343 PolarHBondContact O-N 3.2Å
340L72.4Confident67.5Low27 Ų2764.7 Ų64.714%0.14132%0.316CS..Hα-helixtrans-65.8-40.1178.7-70169.3000112.4K336 S337 R338 G343 L344 H358 R361 T362 V365K336-L340 HydrophobicContact CG-CD1 4.24Å; K336-L340 WeakPolarHBondContact O-CG 3.28Å; K336-L340 PolarHBondContact O-N 3.09Å; K336-L340 VanDerWaalsContact O-N 3.09Å; S337-L340 PolarHBondContact O-N 2.99Å; R338-L340 VanDerWaalsContact C-N 3.34Å; R338-L340 PolarHBondContact O-N 2.86Å; L340-G343 PolarHBondContact O-N 3.36Å; L340-L344 PolarHBondContact O-N 3.43Å; L340-H358 PolarHBondContact O-NE2 3.42Å; L340-H358 VanDerWaalsContact O-NE2 3.14Å; L340-R361 HydrophobicContact CD2-CB 4.4Å; L340-T362 HydrophobicContact CB-CG2 4.12Å; L340-V365 HydrophobicContact CD1-CB 3.92Å; L340-V365 HydrophobicContact CD1-CG1 4.43Å; L340-V365 HydrophobicContact CD1-CG2 3.55Å
341F67.8Low66.6Low2 Ų267.7 Ų67.71%0.00934%0.337CS..Hα-helixtrans-70.3-37.6177.8-165.2-90.1000113.2S337 R338 G343 L344 R345 F430 E443 I444 V447S337-F341 WeakPolarHBondContact O-CB 3.3Å; S337-F341 PolarHBondContact O-N 3.35Å; R338-F341 PolarHBondContact O-N 3.26Å; F341-G343 VanDerWaalsContact C-N 3.29Å; F341-L344 HydrophobicContact CD2-CD1 4.24Å; F341-L344 WeakPolarHBondContact O-CB 3.4Å; F341-L344 PolarHBondContact O-N 3.21Å; F341-R345 PolarHBondContact O-N 2.95Å; F341-R345 VanDerWaalsContact O-N 3.14Å; F341-F430 HydrophobicContact CD1-CE1 4.2Å; F341-F430 AromaticContact CD1-CZ 3.65Å; F341-F430 HydrophobicContact CD1-CZ 3.65Å; F341-F430 AromaticContact CE1-CE1 3.68Å; F341-F430 HydrophobicContact CE1-CE1 3.68Å; F341-F430 AromaticContact CE1-CZ 3.62Å; F341-F430 HydrophobicContact CE1-CZ 3.62Å; F341-F430 HydrophobicContact CG-CZ 4.31Å; F341-F430 AromaticContact CZ-CE1 4Å; F341-F430 HydrophobicContact CZ-CE1 4Å; F341-F430 HydrophobicContact CZ-CZ 4.26Å; F341-E443 HydrophobicContact CZ-CG 4.4Å; F341-I444 HydrophobicContact CD2-CG1 4.41Å; F341-I444 HydrophobicContact CE2-CG1 4.18Å; F341-V447 HydrophobicContact CE2-CG2 4.48Å; F341-V447 HydrophobicContact CZ-CG2 4Å
342N67.1Low66.5Low86 Ų8669 Ų6946%0.4635%0.354SS..Hα-helixtrans-61.6-42.5169.8-76.7-10.6000110.4R338 Q339 L344 R345 D346R338-N342 WeakPolarHBondContact O-CB 3.34Å; R338-N342 PolarHBondContact O-N 2.95Å; Q339-N342 PolarHBondContact O-N 3.29Å; N342-L344 VanDerWaalsContact C-N 3.27Å; N342-L344 PolarHBondContact O-N 2.8Å; N342-R345 WeakPolarHBondContact O-CB 3.41Å; N342-R345 PolarHBondContact O-N 2.99Å; N342-D346 PolarHBondContact O-N 2.88Å
343G69.1Low65.8Low23 Ų2368.2 Ų68.224%0.23736%0.359CS..Hα-helixtrans-57.1-37.6172.500000113.4Q339 L340 F341 R345 D346 L347Q339-G343 PolarHBondContact O-N 3.2Å; L340-G343 PolarHBondContact O-N 3.36Å; F341-G343 VanDerWaalsContact C-N 3.29Å; G343-R345 VanDerWaalsContact C-N 3.35Å; G343-D346 CarbonylContact O-C 3.55Å; G343-D346 PolarHBondContact O-N 3.47Å; G343-L347 WeakPolarHBondContact O-CG 3.48Å; G343-L347 PolarHBondContact O-N 3.05Å
344L64.9Low65.4Low5 Ų572.1 Ų72.13%0.02638%0.383CS..Hα-helixtrans-64.6-35.7173.3-76.6169.7000112.8L340 F341 N342 D346 L347 T362 I444 V447L340-L344 PolarHBondContact O-N 3.43Å; F341-L344 HydrophobicContact CD2-CD1 4.24Å; F341-L344 WeakPolarHBondContact O-CB 3.4Å; F341-L344 PolarHBondContact O-N 3.21Å; N342-L344 VanDerWaalsContact C-N 3.27Å; N342-L344 PolarHBondContact O-N 2.8Å; L344-D346 VanDerWaalsContact C-N 3.3Å; L344-L347 HydrophobicContact CD2-CD1 3.78Å; L344-T362 HydrophobicContact CD1-CG2 3.76Å; L344-I444 HydrophobicContact CD1-CG2 4.23Å; L344-V447 HydrophobicContact CB-CG1 4.4Å
345R63Low65.5Low136 Ų13672.6 Ų72.651%0.51338%0.383SS..Hα-helixtrans-68.3-32.9175.3-79.2-173-179-173.52112.4F341 N342 G343F341-R345 PolarHBondContact O-N 2.95Å; F341-R345 VanDerWaalsContact O-N 3.14Å; N342-R345 WeakPolarHBondContact O-CB 3.41Å; N342-R345 PolarHBondContact O-N 2.99Å; G343-R345 VanDerWaalsContact C-N 3.35Å
346D64.8Low65.6Low131 Ų13171.8 Ų71.870%0.70138%0.378SS*.Hα-helixtrans-92-2.1-176.7-61.4-26.1000113.1N342 G343 L344 Q348N342-D346 PolarHBondContact O-N 2.88Å; G343-D346 CarbonylContact O-C 3.55Å; G343-D346 PolarHBondContact O-N 3.47Å; L344-D346 VanDerWaalsContact C-N 3.3Å; D346-Q348 PolarHBondContact O-N 2.92Å
347L62.3Low65.4Low47 Ų4771.5 Ų71.525%0.24638%0.384CS..  trans-56.9116.6170.7-78.6174000108.6G343 L344 W355G343-L347 WeakPolarHBondContact O-CG 3.48Å; G343-L347 PolarHBondContact O-N 3.05Å; L344-L347 HydrophobicContact CD2-CD1 3.78Å; L347-W355 HydrophobicContact CD1-CB 4.36Å
348Q58.2Low65.5Low167 Ų16773.2 Ų73.278%0.7839%0.391SS*.  trans-55.3157.4165.1-70.9-172.6-24.900109.1D346 C350D346-Q348 PolarHBondContact O-N 2.92Å; Q348-C350 VanDerWaalsContact C-N 3.29Å; Q348-C350 PolarHBondContact O-N 2.73Å; Q348-C350 PolarHBondContact O-SG 3.26Å
349V59.3Low65.8Low84 Ų8469.4 Ų69.451%0.50938%0.377SS..  trans-58.298.5175.2-178.80000107.7
350C55.6Low65.9Low33 Ų3368.3 Ų68.322%0.22337%0.371CS..  trans-90.4118.2-175-76.50000107.7Q348 T354Q348-C350 VanDerWaalsContact C-N 3.29Å; Q348-C350 PolarHBondContact O-N 2.73Å; Q348-C350 PolarHBondContact O-SG 3.26Å; C350-T354 WeakPolarHBondContact CB-OG1 3.28Å
351S53.8Low66.3Low67 Ų6774.8 Ų74.847%0.46939%0.393SS..  trans-74.3141166.650.80000110T354S351-T354 PolarHBondContact O-OG1 3.4Å
352G64Low66.5Low46 Ų4674.7 Ų74.747%0.47439%0.393SS..G310 helixtrans74.6-158.2177.200000115.4T354 W355G352-T354 VanDerWaalsContact C-N 3.27Å; G352-T354 PolarHBondContact O-N 3.33Å; G352-W355 PolarHBondContact O-NE1 3.1Å
353N62.9Low66.8Low120 Ų12074.7 Ų74.764%0.64239%0.389SS*.G310 helixtrans-8616-172.2-70.4-17.1000114W355 M356N353-W355 PolarHBondContact O-N 3.03Å; N353-M356 HydrophobicContact CB-CG 4.05Å; N353-M356 VanDerWaalsContact O-CB 3.27Å; N353-M356 WeakPolarHBondContact O-CB 3.43Å; N353-M356 PolarHBondContact O-N 3.45Å; N353-M356 VanDerWaalsContact O-N 3.09Å
354T66.2Low67.3Low91 Ų9178.2 Ų78.256%0.55840%0.399SS*.G310 helixtrans-67.6-21.7-177.347.10000113.4C350 S351 G352 P357C350-T354 WeakPolarHBondContact CB-OG1 3.28Å; S351-T354 PolarHBondContact O-OG1 3.4Å; G352-T354 VanDerWaalsContact C-N 3.27Å; G352-T354 PolarHBondContact O-N 3.33Å; T354-P357 WeakPolarHBondContact O-CD 3.42Å
355W68.7Low68Low37 Ų3778.3 Ų78.314%0.1440%0.4CS..G310 helixtrans-76.3-22.7172.962.6-92.1000113.2L347 G352 N353 H358 F359 I448 V452L347-W355 HydrophobicContact CD1-CB 4.36Å; G352-W355 PolarHBondContact O-NE1 3.1Å; N353-W355 PolarHBondContact O-N 3.03Å; W355-H358 PolarHBondContact O-N 2.99Å; W355-H358 VanDerWaalsContact O-N 3.12Å; W355-F359 HydrophobicContact CE3-CB 3.71Å; W355-F359 HydrophobicContact CE3-CG 4.32Å; W355-F359 HydrophobicContact CZ3-CB 3.78Å; W355-F359 HydrophobicContact CZ3-CD1 4.03Å; W355-F359 AromaticContact CZ3-CG 3.89Å; W355-F359 HydrophobicContact CZ3-CG 3.89Å; W355-F359 PolarHBondContact O-N 3.19Å; W355-I448 HydrophobicContact CE3-CD1 4.22Å; W355-I448 HydrophobicContact CE3-CG2 4.24Å; W355-I448 HydrophobicContact CH2-CG2 4.34Å; W355-I448 HydrophobicContact CZ3-CD1 4.08Å; W355-I448 HydrophobicContact CZ3-CG2 4.15Å; W355-V452 HydrophobicContact CB-CG2 4.5Å; W355-V452 HydrophobicContact CD2-CG2 3.99Å; W355-V452 HydrophobicContact CG-CG2 3.78Å; W355-V452 HydrophobicContact CZ2-CG1 4.45Å
356M70.2Confident68.3Low60 Ų6072.8 Ų72.830%0.29638%0.38SS..Hα-helixtrans-55.3-48.3-174.4-77.9-85.3-160.400112.8N353 H358 F359 F360N353-M356 HydrophobicContact CB-CG 4.05Å; N353-M356 VanDerWaalsContact O-CB 3.27Å; N353-M356 WeakPolarHBondContact O-CB 3.43Å; N353-M356 PolarHBondContact O-N 3.45Å; N353-M356 VanDerWaalsContact O-N 3.09Å; M356-H358 VanDerWaalsContact C-N 3.28Å; M356-H358 PolarHBondContact O-N 3.3Å; M356-F359 WeakPolarHBondContact O-CB 3.2Å; M356-F359 PolarHBondContact O-N 2.96Å; M356-F360 HydrophobicContact CB-CD2 4.31Å; M356-F360 HydrophobicContact CB-CE2 4.14Å; M356-F360 WeakPolarHBondContact O-CD2 3.47Å; M356-F360 PolarHBondContact O-N 2.76Å; M356-F360 HydrophobicContact SD-CE2 3.72Å; M356-F360 HydrophobicContact SD-CZ 4.19Å
357P73.5Confident68.6Low73 Ų7368.4 Ų68.447%0.47436%0.358SS..Hα-helixtrans-60.1-38.2178.8-23.134.6000112.8T354 R361T354-P357 WeakPolarHBondContact O-CD 3.42Å; P357-R361 WeakPolarHBondContact O-CG 3.39Å; P357-R361 PolarHBondContact O-N 3.13Å; P357-R361 VanDerWaalsContact O-N 3.07Å
358H72.1Confident69.4Low46 Ų4671.1 Ų71.121%0.21337%0.368CS..Hα-helixtrans-71.4-38.3179.4-159.666.8000111.6L340 W355 M356 T362L340-H358 PolarHBondContact O-NE2 3.42Å; L340-H358 VanDerWaalsContact O-NE2 3.14Å; W355-H358 PolarHBondContact O-N 2.99Å; W355-H358 VanDerWaalsContact O-N 3.12Å; M356-H358 VanDerWaalsContact C-N 3.28Å; M356-H358 PolarHBondContact O-N 3.3Å; H358-T362 WeakPolarHBondContact O-CB 3.32Å; H358-T362 PolarHBondContact O-N 3.1Å; H358-T362 PolarHBondContact O-OG1 2.99Å
359F71.8Confident69.9Low33 Ų3363.7 Ų63.715%0.14533%0.333CS..Hα-helixtrans-60.5-50.8171.3170.4-106.9000111.8W355 M356 R361 T362 F363 I444 I448W355-F359 HydrophobicContact CE3-CB 3.71Å; W355-F359 HydrophobicContact CE3-CG 4.32Å; W355-F359 HydrophobicContact CZ3-CB 3.78Å; W355-F359 HydrophobicContact CZ3-CD1 4.03Å; W355-F359 AromaticContact CZ3-CG 3.89Å; W355-F359 HydrophobicContact CZ3-CG 3.89Å; W355-F359 PolarHBondContact O-N 3.19Å; M356-F359 WeakPolarHBondContact O-CB 3.2Å; M356-F359 PolarHBondContact O-N 2.96Å; F359-R361 VanDerWaalsContact C-N 3.34Å; F359-R361 PolarHBondContact O-N 2.72Å; F359-T362 WeakPolarHBondContact O-CB 3.29Å; F359-T362 PolarHBondContact O-N 3.38Å; F359-T362 VanDerWaalsContact O-N 3.12Å; F359-F363 HydrophobicContact CZ-CB 4.49Å; F359-F363 HydrophobicContact CZ-CD2 4.25Å; F359-F363 VanDerWaalsContact O-CB 3.31Å; F359-F363 WeakPolarHBondContact O-CB 3.27Å; F359-F363 PolarHBondContact O-N 2.9Å; F359-I444 HydrophobicContact CD2-CG2 3.7Å; F359-I444 HydrophobicContact CE2-CG2 3.61Å; F359-I448 HydrophobicContact CB-CD1 4.16Å; F359-I448 HydrophobicContact CD2-CD1 3.2Å; F359-I448 HydrophobicContact CE2-CD1 3.7Å; F359-I448 HydrophobicContact CG-CD1 3.86Å
360F76.9Confident70.3Confident120 Ų12064.9 Ų64.953%0.52633%0.329SS..Hα-helixtrans-60.9-41.5-179.6-75.6-62.6000112.1M356 T362 F363 E364M356-F360 HydrophobicContact CB-CD2 4.31Å; M356-F360 HydrophobicContact CB-CE2 4.14Å; M356-F360 WeakPolarHBondContact O-CD2 3.47Å; M356-F360 PolarHBondContact O-N 2.76Å; M356-F360 HydrophobicContact SD-CE2 3.72Å; M356-F360 HydrophobicContact SD-CZ 4.19Å; F360-T362 PolarHBondContact O-N 3.47Å; F360-F363 PolarHBondContact O-N 2.85Å; F360-E364 WeakPolarHBondContact O-CB 3.17Å; F360-E364 PolarHBondContact O-N 3.38Å
361R79.3Confident71Confident163 Ų16369 Ų6962%0.61534%0.343SS*.Hα-helixtrans-61-43.5173.6-73.3177.6-167.1-165.83.8112.3L340 P357 F359 V365L340-R361 HydrophobicContact CD2-CB 4.4Å; P357-R361 WeakPolarHBondContact O-CG 3.39Å; P357-R361 PolarHBondContact O-N 3.13Å; P357-R361 VanDerWaalsContact O-N 3.07Å; F359-R361 VanDerWaalsContact C-N 3.34Å; F359-R361 PolarHBondContact O-N 2.72Å; R361-V365 PolarHBondContact O-N 2.61Å
362T72.1Confident71.7Confident0 Ų066.3 Ų66.30%032%0.323CS..Hα-helixtrans-62.3-54.3177.3-54.40000109.7L340 L344 H358 F359 F360 E364 V365 F366 I444L340-T362 HydrophobicContact CB-CG2 4.12Å; L344-T362 HydrophobicContact CD1-CG2 3.76Å; H358-T362 WeakPolarHBondContact O-CB 3.32Å; H358-T362 PolarHBondContact O-N 3.1Å; H358-T362 PolarHBondContact O-OG1 2.99Å; F359-T362 WeakPolarHBondContact O-CB 3.29Å; F359-T362 PolarHBondContact O-N 3.38Å; F359-T362 VanDerWaalsContact O-N 3.12Å; F360-T362 PolarHBondContact O-N 3.47Å; T362-E364 VanDerWaalsContact C-N 3.28Å; T362-E364 PolarHBondContact O-N 2.76Å; T362-V365 PolarHBondContact O-N 2.88Å; T362-F366 HydrophobicContact CG2-CD2 3.59Å; T362-F366 HydrophobicContact CG2-CE2 3.48Å; T362-F366 VanDerWaalsContact CG2-CE2 3.48Å; T362-F366 VanDerWaalsContact O-CD2 3.24Å; T362-F366 WeakPolarHBondContact O-CD2 3.16Å; T362-F366 PolarHBondContact O-N 3.39Å; T362-I444 HydrophobicContact CG2-CD1 4.29Å
363F74.5Confident71.6Confident87 Ų8766.5 Ų66.538%0.38231%0.311SS..Hα-helixtrans-55.1-41.1179.6-174.4-96.1000112.6F359 F360 F366 T367 V441F359-F363 HydrophobicContact CZ-CB 4.49Å; F359-F363 HydrophobicContact CZ-CD2 4.25Å; F359-F363 VanDerWaalsContact O-CB 3.31Å; F359-F363 WeakPolarHBondContact O-CB 3.27Å; F359-F363 PolarHBondContact O-N 2.9Å; F360-F363 PolarHBondContact O-N 2.85Å; F363-F366 PolarHBondContact O-N 2.92Å; F363-T367 WeakPolarHBondContact O-CB 3.47Å; F363-T367 PolarHBondContact O-N 2.86Å; F363-T367 PolarHBondContact O-OG1 3.09Å; F363-V441 HydrophobicContact CE2-CG2 4.3Å
364E80.1Confident71.7Confident96 Ų9663.9 Ų63.945%0.44930%0.295SS..Hα-helixtrans-61.3-48.7177.7-167.8-161.9154.500112.2F360 T362 F366 T367 K368F360-E364 WeakPolarHBondContact O-CB 3.17Å; F360-E364 PolarHBondContact O-N 3.38Å; T362-E364 VanDerWaalsContact C-N 3.28Å; T362-E364 PolarHBondContact O-N 2.76Å; E364-F366 VanDerWaalsContact C-N 3.34Å; E364-F366 PolarHBondContact O-N 3.31Å; E364-T367 PolarHBondContact O-N 3.46Å; E364-K368 PolarHBondContact O-N 3.19Å; E364-K368 WeakPolarHBondContact OE1-CE 3.39Å; E364-K368 IonicContact OE1-NZ 2.7Å; E364-K368 PolarHBondContact OE1-NZ 2.87Å
365V77.9Confident71.8Confident7 Ų766.5 Ų66.54%0.04230%0.301CS..Hα-helixtrans-64.4-40179.3173.60000111.2L333 K336 L340 R361 T362 K368 L369L333-V365 HydrophobicContact CD2-CG1 4.49Å; K336-V365 HydrophobicContact CB-CG1 4.06Å; K336-V365 HydrophobicContact CD-CG1 4.4Å; K336-V365 HydrophobicContact CD-CG2 3.87Å; K336-V365 HydrophobicContact CG-CG1 4.14Å; K336-V365 HydrophobicContact CG-CG2 4.06Å; L340-V365 HydrophobicContact CD1-CB 3.92Å; L340-V365 HydrophobicContact CD1-CG1 4.43Å; L340-V365 HydrophobicContact CD1-CG2 3.55Å; R361-V365 PolarHBondContact O-N 2.61Å; T362-V365 PolarHBondContact O-N 2.88Å; V365-K368 PolarHBondContact O-N 2.92Å; V365-L369 PolarHBondContact O-N 2.63Å
366F69.8Low71.6Confident20 Ų2065.9 Ų65.99%0.08830%0.301CS..Hα-helixtrans-65.7-38.7175.2-84.6-80.9000112.2T362 F363 E364 K368 L369 W370 W440 I444T362-F366 HydrophobicContact CG2-CD2 3.59Å; T362-F366 HydrophobicContact CG2-CE2 3.48Å; T362-F366 VanDerWaalsContact CG2-CE2 3.48Å; T362-F366 VanDerWaalsContact O-CD2 3.24Å; T362-F366 WeakPolarHBondContact O-CD2 3.16Å; T362-F366 PolarHBondContact O-N 3.39Å; F363-F366 PolarHBondContact O-N 2.92Å; E364-F366 VanDerWaalsContact C-N 3.34Å; E364-F366 PolarHBondContact O-N 3.31Å; F366-K368 VanDerWaalsContact C-N 3.35Å; F366-L369 PolarHBondContact O-N 3.42Å; F366-W370 WeakPolarHBondContact O-CB 3.45Å; F366-W370 PolarHBondContact O-N 2.8Å; F366-W440 HydrophobicContact CD1-CD2 4.17Å; F366-W440 HydrophobicContact CD1-CE3 4.09Å; F366-W440 HydrophobicContact CD1-CG 4.48Å; F366-W440 AromaticContact CE1-CD2 3.89Å; F366-W440 HydrophobicContact CE1-CD2 3.89Å; F366-W440 AromaticContact CE1-CE3 3.42Å; F366-W440 HydrophobicContact CE1-CE3 3.42Å; F366-W440 VanDerWaalsContact CE1-CE3 3.42Å; F366-W440 HydrophobicContact CE1-CH2 4.17Å; F366-W440 AromaticContact CE1-CZ3 3.58Å; F366-W440 HydrophobicContact CE1-CZ3 3.58Å; F366-W440 HydrophobicContact CZ-CE3 4.07Å; F366-W440 HydrophobicContact CZ-CZ3 4.06Å; F366-I444 HydrophobicContact CD2-CD1 3.98Å; F366-I444 HydrophobicContact CE2-CD1 4.17Å; F366-I444 HydrophobicContact CG-CD1 4.39Å
367T70.7Confident70.8Confident40 Ų4068.4 Ų68.425%0.24531%0.307CS..Hα-helixtrans-63.7-41.5175.2-57.60000111.1F363 E364 W370 K371F363-T367 WeakPolarHBondContact O-CB 3.47Å; F363-T367 PolarHBondContact O-N 2.86Å; F363-T367 PolarHBondContact O-OG1 3.09Å; E364-T367 PolarHBondContact O-N 3.46Å; T367-W370 PolarHBondContact O-N 3.26Å; T367-K371 HydrophobicContact CG2-CD 4.42Å; T367-K371 WeakPolarHBondContact O-CG 3.3Å; T367-K371 PolarHBondContact O-N 3.47Å
368K79.5Confident69.6Low103 Ų10373.8 Ų73.845%0.44832%0.318SS..Hα-helixtrans-59.9-49.7173.2-76.7173.1170.4165.50111.4L333 E364 V365 F366 W370 K371 F372L333-K368 HydrophobicContact CD1-CB 4.34Å; L333-K368 HydrophobicContact CD2-CB 3.9Å; L333-K368 HydrophobicContact CD2-CD 4.46Å; E364-K368 PolarHBondContact O-N 3.19Å; E364-K368 WeakPolarHBondContact OE1-CE 3.39Å; E364-K368 IonicContact OE1-NZ 2.7Å; E364-K368 PolarHBondContact OE1-NZ 2.87Å; V365-K368 PolarHBondContact O-N 2.92Å; F366-K368 VanDerWaalsContact C-N 3.35Å; K368-W370 VanDerWaalsContact C-N 3.28Å; K368-W370 PolarHBondContact O-N 2.63Å; K368-K371 PolarHBondContact O-N 2.94Å; K368-F372 VanDerWaalsContact O-CB 3.23Å; K368-F372 WeakPolarHBondContact O-CB 3.46Å; K368-F372 PolarHBondContact O-N 3.5Å
369L69.1Low68.4Low12 Ų1275.1 Ų75.16%0.06333%0.326CS..Hα-helixtrans-57.6-41.8177.1-165.484.8000111.8F330 L333 L334 V365 F366 Q373F330-L369 HydrophobicContact CD2-CD1 4.02Å; F330-L369 HydrophobicContact CE2-CD1 3.83Å; F330-L369 HydrophobicContact CE2-CG 4.19Å; F330-L369 HydrophobicContact CZ-CD1 4.41Å; L333-L369 HydrophobicContact CB-CB 4.49Å; L333-L369 HydrophobicContact CB-CD1 3.45Å; L333-L369 VanDerWaalsContact CB-CD1 3.45Å; L334-L369 HydrophobicContact CB-CD1 4.37Å; V365-L369 PolarHBondContact O-N 2.63Å; F366-L369 PolarHBondContact O-N 3.42Å; L369-Q373 WeakPolarHBondContact O-CG 3.23Å; L369-Q373 PolarHBondContact O-N 2.89Å
370W66.8Low66.6Low109 Ų10981.5 Ų81.541%0.41336%0.356SS..Hα-helixtrans-67.6-48.9177.8176.774000112.5F366 T367 K368 F372 Q373 Q374 A437F366-W370 WeakPolarHBondContact O-CB 3.45Å; F366-W370 PolarHBondContact O-N 2.8Å; T367-W370 PolarHBondContact O-N 3.26Å; K368-W370 VanDerWaalsContact C-N 3.28Å; K368-W370 PolarHBondContact O-N 2.63Å; W370-F372 VanDerWaalsContact C-N 3.25Å; W370-F372 PolarHBondContact O-N 2.93Å; W370-Q373 WeakPolarHBondContact O-CB 3.48Å; W370-Q373 PolarHBondContact O-N 3.33Å; W370-Q373 VanDerWaalsContact O-N 3.12Å; W370-Q374 HydrophobicContact CD2-CG 4.17Å; W370-Q374 HydrophobicContact CH2-CG 4.35Å; W370-Q374 HydrophobicContact CZ2-CG 3.89Å; W370-Q374 VanDerWaalsContact NE1-NE2 3.13Å; W370-Q374 WeakPolarHBondContact O-CG 3.31Å; W370-Q374 PolarHBondContact O-N 3.38Å; W370-A437 HydrophobicContact CD2-CB 4.3Å; W370-A437 HydrophobicContact CG-CB 3.86Å
371K70.2Confident64.7Low119 Ų11980.8 Ų80.852%0.51736%0.364SS..Hα-helixtrans-56.5-44175.9-75.5-177178.2-176.30110.9T367 K368 Q373 Q374 Q375T367-K371 HydrophobicContact CG2-CD 4.42Å; T367-K371 WeakPolarHBondContact O-CG 3.3Å; T367-K371 PolarHBondContact O-N 3.47Å; K368-K371 PolarHBondContact O-N 2.94Å; K371-Q373 VanDerWaalsContact C-N 3.34Å; K371-Q373 PolarHBondContact O-N 3.4Å; K371-Q374 PolarHBondContact O-N 2.79Å; K371-Q375 WeakPolarHBondContact O-CG 3.31Å; K371-Q375 PolarHBondContact O-N 3.01Å
372F68.9Low62.4Low11 Ų1176.8 Ų76.85%0.04837%0.365CS..Hα-helixtrans-58.9-43.7176.4-165.3-83.9000112.3I326 E329 F330 L333 K368 W370 Q374 N376 T416I326-F372 HydrophobicContact CB-CZ 4.15Å; I326-F372 HydrophobicContact CG1-CZ 4.48Å; I326-F372 HydrophobicContact CG2-CE1 3.77Å; I326-F372 HydrophobicContact CG2-CZ 3.67Å; I326-F372 WeakPolarHBondContact O-CE1 3.39Å; I326-F372 WeakPolarHBondContact O-CZ 3.46Å; E329-F372 HydrophobicContact CB-CE2 4.01Å; E329-F372 HydrophobicContact CB-CZ 4.18Å; E329-F372 HydrophobicContact CG-CD2 4.33Å; E329-F372 HydrophobicContact CG-CE2 3.87Å; E329-F372 HydrophobicContact CG-CZ 4.49Å; E329-F372 VanDerWaalsContact OE2-CE2 3.29Å; E329-F372 WeakPolarHBondContact OE2-CE2 3.44Å; F330-F372 HydrophobicContact CB-CD1 4.19Å; F330-F372 HydrophobicContact CB-CE1 3.76Å; F330-F372 HydrophobicContact CB-CZ 4.46Å; F330-F372 AromaticContact CD2-CD1 3.81Å; F330-F372 HydrophobicContact CD2-CD1 3.81Å; F330-F372 HydrophobicContact CD2-CE1 4.17Å; F330-F372 HydrophobicContact CG-CD1 4.49Å; F330-F372 HydrophobicContact CG-CE1 4.43Å; L333-F372 HydrophobicContact CD1-CB 4.31Å; L333-F372 HydrophobicContact CD1-CD2 4.4Å; L333-F372 HydrophobicContact CD1-CG 4.38Å; K368-F372 VanDerWaalsContact O-CB 3.23Å; K368-F372 WeakPolarHBondContact O-CB 3.46Å; K368-F372 PolarHBondContact O-N 3.5Å; W370-F372 VanDerWaalsContact C-N 3.25Å; W370-F372 PolarHBondContact O-N 2.93Å; F372-Q374 VanDerWaalsContact C-N 3.3Å; F372-Q374 PolarHBondContact O-N 3.01Å; F372-N376 WeakPolarHBondContact CE1-ND2 3.44Å; F372-N376 WeakPolarHBondContact CZ-ND2 3.38Å; F372-N376 WeakPolarHBondContact O-CB 3.47Å; F372-N376 PolarHBondContact O-N 3.29Å; F372-N376 VanDerWaalsContact O-N 3.12Å; F372-N376 PolarHBondContact O-ND2 3.42Å; F372-N376 VanDerWaalsContact O-ND2 3.12Å; F372-T416 HydrophobicContact CD1-CG2 4.34Å; F372-T416 HydrophobicContact CE1-CG2 4.14Å
373Q62.6Low60.5Low50 Ų5083.1 Ų83.123%0.23440%0.399CS..Hα-helixtrans-64.6-31.3174.4-76.5-179.9-22.100113.4F330 L369 W370 K371 R377F330-Q373 HydrophobicContact CE2-CG 3.72Å; L369-Q373 WeakPolarHBondContact O-CG 3.23Å; L369-Q373 PolarHBondContact O-N 2.89Å; W370-Q373 WeakPolarHBondContact O-CB 3.48Å; W370-Q373 PolarHBondContact O-N 3.33Å; W370-Q373 VanDerWaalsContact O-N 3.12Å; K371-Q373 VanDerWaalsContact C-N 3.34Å; K371-Q373 PolarHBondContact O-N 3.4Å; Q373-R377 WeakPolarHBondContact O-CB 3.46Å; Q373-R377 PolarHBondContact O-N 2.95Å
374Q65.7Low58.5Low65 Ų6586.4 Ų86.430%0.30442%0.421SS..Hα-helixtrans-75.9-47.1177.1-63.4-54.6-3000112W370 K371 F372 N376 R377W370-Q374 HydrophobicContact CD2-CG 4.17Å; W370-Q374 HydrophobicContact CH2-CG 4.35Å; W370-Q374 HydrophobicContact CZ2-CG 3.89Å; W370-Q374 VanDerWaalsContact NE1-NE2 3.13Å; W370-Q374 WeakPolarHBondContact O-CG 3.31Å; W370-Q374 PolarHBondContact O-N 3.38Å; K371-Q374 PolarHBondContact O-N 2.79Å; F372-Q374 VanDerWaalsContact C-N 3.3Å; F372-Q374 PolarHBondContact O-N 3.01Å; Q374-N376 VanDerWaalsContact C-N 3.3Å; Q374-N376 PolarHBondContact O-N 3.07Å; Q374-R377 VanDerWaalsContact O-CB 3.26Å; Q374-R377 WeakPolarHBondContact O-CB 3.46Å; Q374-R377 PolarHBondContact O-N 3.2Å
375Q68.3Low56.3Low146 Ų14687.6 Ų87.668%0.68244%0.435SS*.Hα-helixtrans-61-41.5-179.6-73.6171.4-35.800111.5K371 R377K371-Q375 WeakPolarHBondContact O-CG 3.31Å; K371-Q375 PolarHBondContact O-N 3.01Å; Q375-R377 VanDerWaalsContact C-N 3.34Å; Q375-R377 PolarHBondContact O-N 3.31Å
376N62.7Low54Low24 Ų2496.8 Ų96.813%0.12848%0.477CS..THydrogen-bonded Turntrans-97.221.2-178.8-63.4-68.7000112.6F372 Q374 W378 L379 T416F372-N376 WeakPolarHBondContact CE1-ND2 3.44Å; F372-N376 WeakPolarHBondContact CZ-ND2 3.38Å; F372-N376 WeakPolarHBondContact O-CB 3.47Å; F372-N376 PolarHBondContact O-N 3.29Å; F372-N376 VanDerWaalsContact O-N 3.12Å; F372-N376 PolarHBondContact O-ND2 3.42Å; F372-N376 VanDerWaalsContact O-ND2 3.12Å; Q374-N376 VanDerWaalsContact C-N 3.3Å; Q374-N376 PolarHBondContact O-N 3.07Å; N376-W378 VanDerWaalsContact C-N 3.31Å; N376-L379 HydrophobicContact CB-CD1 4.45Å; N376-T416 HydrophobicContact CB-CG2 3.13Å; N376-T416 PolarHBondContact O-N 2.91Å
377R55.2Low52Low112 Ų112103.8 Ų103.842%0.42352%0.515SS..THydrogen-bonded Turntrans-70.3-32.1174.3-172.4178.8-76.4-127.2-1.7111.2Q373 Q374 Q375 R414Q373-R377 WeakPolarHBondContact O-CB 3.46Å; Q373-R377 PolarHBondContact O-N 2.95Å; Q374-R377 VanDerWaalsContact O-CB 3.26Å; Q374-R377 WeakPolarHBondContact O-CB 3.46Å; Q374-R377 PolarHBondContact O-N 3.2Å; Q375-R377 VanDerWaalsContact C-N 3.34Å; Q375-R377 PolarHBondContact O-N 3.31Å; R377-R414 CarbonylContact O-C 3.56Å
378W48.3Very low49.9Very low187 Ų187105.9 Ų105.971%0.70854%0.537SS*.  trans-12564.8-174.8-46.4100.6000109.8N376 Q380N376-W378 VanDerWaalsContact C-N 3.31Å; W378-Q380 PolarHBondContact O-N 3.23Å
379L45.7Very low47.5Very low74 Ų74107.2 Ų107.239%0.38755%0.553SS.*  trans-67.191.9164.4-76.9158.1000106.7I326 N376 L419I326-L379 HydrophobicContact CD1-CD2 4.02Å; N376-L379 HydrophobicContact CB-CD1 4.45Å; L379-L419 HydrophobicContact CD1-CD2 4.39Å
380Q34.6Very low45.5Very low166 Ų166115.7 Ų115.778%0.77659%0.592SS**PPolyproline II helixtrans-77.7144.7170.4-71.1-165.6-21.800109W378 A382W378-Q380 PolarHBondContact O-N 3.23Å; Q380-A382 PolarHBondContact O-N 3.1Å
381P36Very low43.7Very low105 Ų105121.6 Ų121.668%0.68262%0.615SS**PPolyproline II helixtrans-66.9121.4155.2-0.717.9000107.2
382A32.7Very low41.7Very low79 Ų79124 Ų12465%0.65363%0.631SS**PPolyproline II helixtrans-68.6135.1157.600000107.7Q380Q380-A382 PolarHBondContact O-N 3.1Å
383D32.3Very low39.7Very low134 Ų134127.3 Ų127.372%0.71767%0.669SS**SBendtrans84132.6157-47.3-33.5000119.2
384D32.6Very low38Very low155 Ų155128.1 Ų128.183%0.82969%0.691SS**  trans94.840.8152.8-50.6-25.1000121.8
385V32Very low36.5Very low122 Ų122131 Ų13174%0.73972%0.718SS**SBendtrans-112.7-7.7164.5-165.70000114.5D387V385-D387 VanDerWaalsContact C-N 3.31Å; V385-D387 PolarHBondContact O-N 3.12Å
386E30.2Very low34.7Very low200 Ų200133 Ų13394%0.93573%0.727SS**THydrogen-bonded Turntrans-75.8-8.9-179.6-92.1-176.9165.700115.3
387D28.1Very low33.1Very low167 Ų167137.4 Ų137.489%0.89376%0.757SS**THydrogen-bonded Turntrans-108.99.9-173-143.126.5000116.4V385V385-D387 VanDerWaalsContact C-N 3.31Å; V385-D387 PolarHBondContact O-N 3.12Å
388A27.3Very low32Very low84 Ų84137.6 Ų137.669%0.69477%0.773SS**SBendtrans-109.7-7.5-177.600000115.7
389V28.3Very low31.2Very low130 Ų130134 Ų13479%0.78877%0.774SS**THydrogen-bonded Turntrans-88.6-13.5-171.1-177.60000113.4R391V389-R391 PolarHBondContact O-N 3.39Å
390E28.1Very low30.6Very low191 Ų191136.8 Ų136.889%0.89380%0.796SS**THydrogen-bonded Turntrans-89.49-171.3-122-179.6-167.700116.6
391R27.1Very low30.4Very low233 Ų233137.9 Ų137.988%0.87980%0.801SS**SBendtrans-134.953.7179.8-72.3-165.1-112.2-139.5-4.1115.8V389V389-R391 PolarHBondContact O-N 3.39Å
392I29.7Very low29.9Very low168 Ų168141.2 Ų141.286%0.86281%0.808SS**  trans-139.768.2153.8-48.2178.6000109.6
393G26.2Very low29.8Very low82 Ų82146.8 Ų146.885%0.84582%0.818SS**  trans-86.4121.5157.100000109.3
394G27.6Very low29.5Very low67 Ų67144 Ų14469%0.69182%0.82SS**  trans104.294.1160.700000116.2
395S33.9Very low29.1Very low125 Ų125147.4 Ų147.487%0.87482%0.823SS**  163.9136.8125.948.80000109.7
396Q29.4Very low28.8Very low187 Ų187147.6 Ų147.687%0.87482%0.824SS**PPolyproline II helixtrans-59147.1-173.6-82-175.1-47.600113.1
397P30.7Very low28.6Very low117 Ų117146.6 Ų146.676%0.7682%0.82SS**PPolyproline II helixtrans-69.2133.2179.327.9-32.9000111.4
398P31.9Very low28.4Very low116 Ų116149.6 Ų149.675%0.75382%0.818SS**PPolyproline II helixtrans-71154.3169.629.5-31.8000111.2
399P31.7Very low28.4Very low112 Ų112154.5 Ų154.573%0.72783%0.827SS**PPolyproline II helixtrans-66.2158.8-178.827.9-33.5000112.3Q401P399-Q401 PolarHBondContact O-N 3.49Å
400P31.5Very low28.8Very low132 Ų132159.5 Ų159.586%0.85783%0.832SS**PPolyproline II helixtrans-71.9116.4-161.55.77.4000111.1
401Q31.1Very low28.9Very low189 Ų189154.5 Ų154.588%0.88382%0.823SS**PPolyproline II helixtrans-100.9133.8161.9-81178.4-9.900109.3P399P399-Q401 PolarHBondContact O-N 3.49Å
402E26.5Very low29.5Very low175 Ų175148 Ų14882%0.81881%0.811SS**SBendtrans-57162.1179.9-63.4172.2150.600111.7
403F29.2Very low30.2Very low196 Ų196144.2 Ų144.286%0.8679%0.792SS**  trans90.854.5-173.4-53.2-74.5000116.4Y405F403-Y405 PolarHBondContact O-N 2.9Å
404G26Very low31.3Very low75 Ų75150.2 Ų150.277%0.77379%0.789SS**  trans-68.895.4163.500000112.1V406G404-V406 PolarHBondContact O-N 3.5Å; G404-V406 VanDerWaalsContact O-N 3.1Å
405Y24.6Very low32.5Very low228 Ų228149 Ų14989%0.89477%0.77SS**  trans-62.4102.7154-103.2-95.7000107.6F403 Q407F403-Y405 PolarHBondContact O-N 2.9Å; Y405-Q407 PolarHBondContact O-N 3.14Å
406V26.5Very low33.3Very low125 Ų125143.2 Ų143.276%0.75873%0.729SS**  trans-68.998.7172.2179.60000107.7G404 R408G404-V406 PolarHBondContact O-N 3.5Å; G404-V406 VanDerWaalsContact O-N 3.1Å; V406-R408 PolarHBondContact O-N 3.44Å
407Q24.3Very low34.4Very low180 Ų180137.1 Ų137.184%0.84171%0.705SS**  trans-54.7106.3159.3-86.3179.4-32.400107Y405 E409Y405-Q407 PolarHBondContact O-N 3.14Å; Q407-E409 VanDerWaalsContact C-N 3.32Å; Q407-E409 PolarHBondContact O-N 3.42Å
408R24.5Very low35.5Very low229 Ų229132.7 Ų132.786%0.86468%0.679SS**  trans-66.595.6172.8-76.2-178.1-179.7170.41.7108.1V406 R410V406-R408 PolarHBondContact O-N 3.44Å; R408-R410 PolarHBondContact O-N 3.45Å; R408-R410 VanDerWaalsContact O-N 3.14Å
409E27.3Very low36.6Very low187 Ų187127.6 Ų127.687%0.87465%0.645SS**  trans-53.6117.3164-74.3-178.8153.800108.7Q407 A411Q407-E409 VanDerWaalsContact C-N 3.32Å; Q407-E409 PolarHBondContact O-N 3.42Å; E409-A411 PolarHBondContact O-N 3.08Å; E409-A411 VanDerWaalsContact O-N 3.13Å
410R37.1Very low37.6Very low235 Ų235122.4 Ų122.489%0.88761%0.611SS**  trans-75.4100.1-176-71.4177.1179.6177.8-0.9108.5R408 P412R408-R410 PolarHBondContact O-N 3.45Å; R408-R410 VanDerWaalsContact O-N 3.14Å; R410-P412 WeakPolarHBondContact O-CD 3.26Å
411A30.5Very low38.5Very low87 Ų87117.9 Ų117.972%0.71959%0.585SS**PPolyproline II helixtrans-61.9117.917700000110.9E409 L413E409-A411 PolarHBondContact O-N 3.08Å; E409-A411 VanDerWaalsContact O-N 3.13Å; A411-L413 PolarHBondContact O-N 3.4Å
412P39.4Very low39.2Very low96 Ų96113.7 Ų113.762%0.62356%0.561SS**PPolyproline II helixtrans-64.5134.7172.924.2-30.9000110.2R410R410-P412 WeakPolarHBondContact O-CD 3.26Å
413L43.4Very low40.1Very low88 Ų88108.2 Ų108.246%0.46153%0.534SS..PPolyproline II helixtrans-76.4125-175.4-70.6172.3000111A411 S415 A418A411-L413 PolarHBondContact O-N 3.4Å; L413-S415 PolarHBondContact O-N 3.27Å; L413-A418 HydrophobicContact CB-CB 3.9Å; L413-A418 HydrophobicContact CD1-CB 4.26Å; L413-A418 HydrophobicContact CD2-CB 4Å; L413-A418 HydrophobicContact CG-CB 4.27Å
414R49.7Very low40.7Very low209 Ų209102.7 Ų102.779%0.78951%0.511SS*.  trans-91.723.1-168.6-56.4-175179-169.7-1.9115.8R377R377-R414 CarbonylContact O-C 3.56Å
415S52.3Low41.6Very low40 Ų40102.5 Ų102.528%0.2849%0.492SS..SBendtrans-167.6154.3175.2650000114.8L413 T417 A418 L419L413-S415 PolarHBondContact O-N 3.27Å; S415-T417 PolarHBondContact O-N 3.1Å; S415-A418 WeakPolarHBondContact O-CA 3.21Å; S415-A418 WeakPolarHBondContact O-CB 3.01Å; S415-A418 PolarHBondContact O-N 3.13Å; S415-A418 PolarHBondContact OG-N 3.1Å; S415-L419 PolarHBondContact O-N 2.86Å
416T52.5Low42.2Very low4 Ų4100.1 Ų100.13%0.02548%0.482CS..Hα-helixtrans-48.9-38.5164.642.70000113.8I326 F372 N376 A418 L419 V420I326-T416 HydrophobicContact CG2-CG2 4.48Å; F372-T416 HydrophobicContact CD1-CG2 4.34Å; F372-T416 HydrophobicContact CE1-CG2 4.14Å; N376-T416 HydrophobicContact CB-CG2 3.13Å; N376-T416 PolarHBondContact O-N 2.91Å; T416-A418 PolarHBondContact O-N 3.43Å; T416-L419 WeakPolarHBondContact O-CB 3.32Å; T416-L419 PolarHBondContact O-N 3.02Å; T416-L419 VanDerWaalsContact O-N 3.15Å; T416-V420 VanDerWaalsContact O-CB 3.3Å; T416-V420 WeakPolarHBondContact O-CB 3.39Å; T416-V420 WeakPolarHBondContact O-CG2 3.49Å; T416-V420 PolarHBondContact O-N 2.62Å
417T50.6Low42.8Very low60 Ų6096.6 Ų96.637%0.36846%0.461SS..Hα-helixtrans-60.7-38.4178-62.30000111S415 A421 P427S415-T417 PolarHBondContact O-N 3.1Å; T417-A421 VanDerWaalsContact O-CB 3.24Å; T417-A421 WeakPolarHBondContact O-CB 3.13Å; T417-A421 PolarHBondContact O-N 3.47Å; T417-P427 HydrophobicContact CG2-CB 3.71Å; T417-P427 HydrophobicContact CG2-CG 3.74Å; T417-P427 WeakPolarHBondContact O-CG 3.36Å
418A54.8Low43.7Very low24 Ų2492.9 Ų92.920%0.19844%0.444CS..Hα-helixtrans-72.7-37.6175.200000112.1L413 S415 T416 A421 R422L413-A418 HydrophobicContact CB-CB 3.9Å; L413-A418 HydrophobicContact CD1-CB 4.26Å; L413-A418 HydrophobicContact CD2-CB 4Å; L413-A418 HydrophobicContact CG-CB 4.27Å; S415-A418 WeakPolarHBondContact O-CA 3.21Å; S415-A418 WeakPolarHBondContact O-CB 3.01Å; S415-A418 PolarHBondContact O-N 3.13Å; S415-A418 PolarHBondContact OG-N 3.1Å; T416-A418 PolarHBondContact O-N 3.43Å; A418-A421 PolarHBondContact O-N 3.3Å; A418-R422 WeakPolarHBondContact O-CB 3.37Å; A418-R422 PolarHBondContact O-N 3.44Å
419L56Low44.3Very low9 Ų990.8 Ų90.85%0.04744%0.436CS..Hα-helixtrans-61.2-50.2173.7-149.684.5000110.8E323 I326 V327 L379 S415 T416 A421 R422 F423E323-L419 HydrophobicContact CB-CD2 4.19Å; E323-L419 HydrophobicContact CG-CD1 4.21Å; E323-L419 HydrophobicContact CG-CD2 4.27Å; I326-L419 HydrophobicContact CG2-CD2 4.04Å; V327-L419 HydrophobicContact CG2-CB 4.29Å; V327-L419 HydrophobicContact CG2-CD2 3.49Å; V327-L419 VanDerWaalsContact CG2-CD2 3.49Å; V327-L419 HydrophobicContact CG2-CG 3.93Å; L379-L419 HydrophobicContact CD1-CD2 4.39Å; S415-L419 PolarHBondContact O-N 2.86Å; T416-L419 WeakPolarHBondContact O-CB 3.32Å; T416-L419 PolarHBondContact O-N 3.02Å; T416-L419 VanDerWaalsContact O-N 3.15Å; L419-A421 VanDerWaalsContact C-N 3.33Å; L419-A421 PolarHBondContact O-N 3.1Å; L419-R422 VanDerWaalsContact O-CA 3.32Å; L419-R422 WeakPolarHBondContact O-CA 3.42Å; L419-R422 WeakPolarHBondContact O-CB 3.41Å; L419-R422 PolarHBondContact O-N 3.19Å; L419-F423 HydrophobicContact CG-CE2 4.41Å; L419-F423 WeakPolarHBondContact O-CD2 3.5Å; L419-F423 PolarHBondContact O-N 3.41Å
420V51.9Low44.7Very low3 Ų384 Ų842%0.01840%0.404CS..Hα-helixtrans-63.1-38.9178.4169.90000111.4V327 F330 T416 R422 F423 Q424 L425 P427V327-V420 HydrophobicContact CG1-CG2 4.43Å; V327-V420 HydrophobicContact CG2-CG2 4.21Å; F330-V420 HydrophobicContact CB-CG2 4.26Å; F330-V420 HydrophobicContact CD1-CB 4.21Å; F330-V420 HydrophobicContact CD1-CG1 3.99Å; F330-V420 HydrophobicContact CD1-CG2 3.26Å; F330-V420 HydrophobicContact CE1-CB 4.3Å; F330-V420 HydrophobicContact CE1-CG1 3.94Å; F330-V420 HydrophobicContact CE1-CG2 3.75Å; F330-V420 HydrophobicContact CG-CG2 3.9Å; T416-V420 VanDerWaalsContact O-CB 3.3Å; T416-V420 WeakPolarHBondContact O-CB 3.39Å; T416-V420 WeakPolarHBondContact O-CG2 3.49Å; T416-V420 PolarHBondContact O-N 2.62Å; V420-R422 VanDerWaalsContact C-N 3.28Å; V420-R422 PolarHBondContact O-N 3.1Å; V420-F423 CarbonylContact O-C 3.57Å; V420-F423 PolarHBondContact O-N 3.15Å; V420-Q424 PolarHBondContact O-N 3.26Å; V420-Q424 VanDerWaalsContact O-N 3.15Å; V420-L425 CarbonylContact C-O 3.58Å; V420-L425 HydrophobicContact CG1-CB 3.84Å; V420-L425 WeakPolarHBondContact CG1-O 3.38Å; V420-L425 PolarHBondContact O-N 3.13Å; V420-L425 VanDerWaalsContact O-N 3.11Å; V420-L425 VanDerWaalsContact O-O 3.11Å; V420-P427 HydrophobicContact CG1-CG 4.34Å
421A50Low44.6Very low36 Ų3679.4 Ų79.430%0.29840%0.396SS..Hα-helixtrans-62.4-33.217000000112.7T417 A418 L419 Q424 P427T417-A421 VanDerWaalsContact O-CB 3.24Å; T417-A421 WeakPolarHBondContact O-CB 3.13Å; T417-A421 PolarHBondContact O-N 3.47Å; A418-A421 PolarHBondContact O-N 3.3Å; L419-A421 VanDerWaalsContact C-N 3.33Å; L419-A421 PolarHBondContact O-N 3.1Å; A421-Q424 WeakPolarHBondContact O-CA 3.28Å; A421-Q424 PolarHBondContact O-N 3.17Å; A421-P427 HydrophobicContact CB-CG 4.16Å
422R45.7Very low44.8Very low102 Ų10277.8 Ų77.839%0.38539%0.389SS..Hα-helixtrans-67-37.9174.5-164180177.8174.2-1.2112.1L317 A418 L419 V420 Q424L317-R422 VanDerWaalsContact CD1-NH2 3.35Å; L317-R422 VanDerWaalsContact CG-NH2 3.27Å; A418-R422 WeakPolarHBondContact O-CB 3.37Å; A418-R422 PolarHBondContact O-N 3.44Å; L419-R422 VanDerWaalsContact O-CA 3.32Å; L419-R422 WeakPolarHBondContact O-CA 3.42Å; L419-R422 WeakPolarHBondContact O-CB 3.41Å; L419-R422 PolarHBondContact O-N 3.19Å; V420-R422 VanDerWaalsContact C-N 3.28Å; V420-R422 PolarHBondContact O-N 3.1Å; R422-Q424 PolarHBondContact O-N 2.95Å
423F46.1Very low44.5Very low60 Ų6078.1 Ų78.126%0.26338%0.384SS..THydrogen-bonded Turntrans-772.2169.1-76.1-97.9000113.8V319 K324 V327 L419 V420 L425V319-F423 HydrophobicContact CG1-CE1 4.3Å; V319-F423 HydrophobicContact CG1-CE2 4.05Å; V319-F423 HydrophobicContact CG1-CZ 3.48Å; V319-F423 VanDerWaalsContact CG1-CZ 3.48Å; K324-F423 HydrophobicContact CB-CZ 4.41Å; K324-F423 HydrophobicContact CG-CE1 3.87Å; K324-F423 HydrophobicContact CG-CZ 3.8Å; V327-F423 HydrophobicContact CB-CD2 3.84Å; V327-F423 HydrophobicContact CB-CE1 4.48Å; V327-F423 HydrophobicContact CB-CE2 3.73Å; V327-F423 HydrophobicContact CB-CG 4.22Å; V327-F423 HydrophobicContact CB-CZ 4.01Å; V327-F423 HydrophobicContact CG1-CB 3.88Å; V327-F423 HydrophobicContact CG1-CD1 4.12Å; V327-F423 HydrophobicContact CG1-CD2 3.74Å; V327-F423 HydrophobicContact CG1-CE1 4.47Å; V327-F423 HydrophobicContact CG1-CE2 4.12Å; V327-F423 HydrophobicContact CG1-CG 3.68Å; V327-F423 HydrophobicContact CG1-CZ 4.42Å; V327-F423 HydrophobicContact CG2-CD2 3.33Å; V327-F423 HydrophobicContact CG2-CE2 3.21Å; V327-F423 HydrophobicContact CG2-CG 4.16Å; V327-F423 HydrophobicContact CG2-CZ 3.98Å; L419-F423 HydrophobicContact CG-CE2 4.41Å; L419-F423 WeakPolarHBondContact O-CD2 3.5Å; L419-F423 PolarHBondContact O-N 3.41Å; V420-F423 CarbonylContact O-C 3.57Å; V420-F423 PolarHBondContact O-N 3.15Å; F423-L425 HydrophobicContact CB-CD1 3.89Å; F423-L425 HydrophobicContact CB-CG 4.28Å; F423-L425 PolarHBondContact O-N 3.38Å
424Q42.1Very low44.2Very low79 Ų7985.4 Ų85.437%0.36941%0.406SS..THydrogen-bonded Turntrans61.616.8178.3-57.1154.7-4.600114P308 V420 A421 R422 R426P308-Q424 VanDerWaalsContact CA-NE2 3.31Å; P308-Q424 VanDerWaalsContact CD-CD 3.46Å; V420-Q424 PolarHBondContact O-N 3.26Å; V420-Q424 VanDerWaalsContact O-N 3.15Å; A421-Q424 WeakPolarHBondContact O-CA 3.28Å; A421-Q424 PolarHBondContact O-N 3.17Å; R422-Q424 PolarHBondContact O-N 2.95Å; Q424-R426 PolarHBondContact O-N 2.96Å
425L43.4Very low43.8Very low71 Ų7177.1 Ų77.137%0.37238%0.376SS..  trans-80.1108.6168.5-66.1161.2000104.7V327 C331 V420 F423 P427V327-L425 HydrophobicContact CG1-CD1 3.48Å; V327-L425 VanDerWaalsContact CG1-CD1 3.48Å; C331-L425 HydrophobicContact CB-CD1 4.26Å; C331-L425 WeakPolarHBondContact SG-CD1 3.44Å; V420-L425 CarbonylContact C-O 3.58Å; V420-L425 HydrophobicContact CG1-CB 3.84Å; V420-L425 WeakPolarHBondContact CG1-O 3.38Å; V420-L425 PolarHBondContact O-N 3.13Å; V420-L425 VanDerWaalsContact O-N 3.11Å; V420-L425 VanDerWaalsContact O-O 3.11Å; F423-L425 HydrophobicContact CB-CD1 3.89Å; F423-L425 HydrophobicContact CB-CG 4.28Å; F423-L425 PolarHBondContact O-N 3.38Å; L425-P427 WeakPolarHBondContact O-CD 3.47Å; L425-P427 VanDerWaalsContact O-N 3.11Å
426R38.1Very low43Very low179 Ų17977.4 Ų77.468%0.67539%0.386SS*.  trans-56.4121.4-175.1-73.2-167.2-171-170.64110.3Q424 Q428Q424-R426 PolarHBondContact O-N 2.96Å; R426-Q428 PolarHBondContact O-N 2.82Å
427P39.1Very low42.2Very low50 Ų5078.9 Ų78.933%0.32540%0.398SS..  trans-64113.8162.3-13.928.3000107.8T417 V420 A421 L425 R429T417-P427 HydrophobicContact CG2-CB 3.71Å; T417-P427 HydrophobicContact CG2-CG 3.74Å; T417-P427 WeakPolarHBondContact O-CG 3.36Å; V420-P427 HydrophobicContact CG1-CG 4.34Å; A421-P427 HydrophobicContact CB-CG 4.16Å; L425-P427 WeakPolarHBondContact O-CD 3.47Å; L425-P427 VanDerWaalsContact O-N 3.11Å; P427-R429 PolarHBondContact O-N 3.08Å
428Q42.2Very low41.6Very low102 Ų10279.1 Ų79.148%0.47741%0.413SS..  trans-68.7129.3-170-70.3-93.1-19.800111L334 R426L334-Q428 HydrophobicContact CD2-CG 3.82Å; R426-Q428 PolarHBondContact O-N 2.82Å
429R37.6Very low41.2Very low185 Ų18581.2 Ų81.270%0.69842%0.423SS*.  trans-87.1112.4162.4-66.3-173.5-175.9-166.10.7108P427P427-R429 PolarHBondContact O-N 3.08Å
430F36.5Very low40.9Very low46 Ų4683.1 Ų83.120%0.20243%0.43CS..BIsolated β-bridgetrans-81.7118.2168.2-132.4-99.4000107.9F341 G432 L433 M435 W440F341-F430 HydrophobicContact CD1-CE1 4.2Å; F341-F430 AromaticContact CD1-CZ 3.65Å; F341-F430 HydrophobicContact CD1-CZ 3.65Å; F341-F430 AromaticContact CE1-CE1 3.68Å; F341-F430 HydrophobicContact CE1-CE1 3.68Å; F341-F430 AromaticContact CE1-CZ 3.62Å; F341-F430 HydrophobicContact CE1-CZ 3.62Å; F341-F430 HydrophobicContact CG-CZ 4.31Å; F341-F430 AromaticContact CZ-CE1 4Å; F341-F430 HydrophobicContact CZ-CE1 4Å; F341-F430 HydrophobicContact CZ-CZ 4.26Å; F430-G432 PolarHBondContact O-N 3.43Å; F430-L433 PolarHBondContact O-N 3.11Å; F430-L433 VanDerWaalsContact O-N 3.12Å; F430-M435 HydrophobicContact CB-CE 3.53Å; F430-M435 HydrophobicContact CG-CE 4.48Å; F430-M435 WeakPolarHBondContact O-CE 3.25Å; F430-W440 HydrophobicContact CB-CH2 3.97Å; F430-W440 HydrophobicContact CB-CZ3 4.5Å; F430-W440 HydrophobicContact CD1-CZ3 4.5Å; F430-W440 AromaticContact CD2-CH2 3.98Å; F430-W440 HydrophobicContact CD2-CH2 3.98Å; F430-W440 HydrophobicContact CD2-CZ3 4.26Å; F430-W440 HydrophobicContact CG-CH2 4Å; F430-W440 HydrophobicContact CG-CZ3 4.19Å
431N33.7Very low40.8Very low137 Ų13786.1 Ų86.173%0.73345%0.448SS*.THydrogen-bonded Turntrans45.636.3-177-78.2-5.7000115.4L433N431-L433 VanDerWaalsContact C-N 3.34Å; N431-L433 PolarHBondContact O-N 2.87Å
432G36.1Very low41Very low54 Ų5489.7 Ų89.756%0.55746%0.458SS*.THydrogen-bonded Turntrans81.5-1.3174.900000116.3F430F430-G432 PolarHBondContact O-N 3.43Å
433L32.7Very low41.6Very low102 Ų10286.7 Ų86.753%0.53445%0.449SS..BIsolated β-bridgetrans-97.3137.2-179.8-73.7155.4000112.3F430 N431 M435F430-L433 PolarHBondContact O-N 3.11Å; F430-L433 VanDerWaalsContact O-N 3.12Å; N431-L433 VanDerWaalsContact C-N 3.34Å; N431-L433 PolarHBondContact O-N 2.87Å; L433-M435 HydrophobicContact CB-CE 4.1Å; L433-M435 HydrophobicContact CB-CG 3.32Å; L433-M435 HydrophobicContact CB-SD 3.67Å; L433-M435 HydrophobicContact CD1-SD 3.9Å; L433-M435 HydrophobicContact CG-CG 4.5Å; L433-M435 HydrophobicContact CG-SD 4.42Å; L433-M435 PolarHBondContact O-N 3.43Å
434R36.3Very low42.1Very low242 Ų24284 Ų8491%0.91344%0.437SS*.  trans-76.7106.1160.4-85.6-173.5-178.6-170.20.9106.6
435M41.3Very low43Very low34 Ų3484.4 Ų84.417%0.16744%0.441CS..  trans-113.6113.2-165.7-66.5-151.7-89.700113.6F430 L433 V439 W440F430-M435 HydrophobicContact CB-CE 3.53Å; F430-M435 HydrophobicContact CG-CE 4.48Å; F430-M435 WeakPolarHBondContact O-CE 3.25Å; L433-M435 HydrophobicContact CB-CE 4.1Å; L433-M435 HydrophobicContact CB-CG 3.32Å; L433-M435 HydrophobicContact CB-SD 3.67Å; L433-M435 HydrophobicContact CD1-SD 3.9Å; L433-M435 HydrophobicContact CG-CG 4.5Å; L433-M435 HydrophobicContact CG-SD 4.42Å; L433-M435 PolarHBondContact O-N 3.43Å; M435-V439 HydrophobicContact CB-CB 4.26Å; M435-V439 HydrophobicContact CG-CB 4.26Å; M435-V439 HydrophobicContact CG-CG1 4.31Å; M435-V439 HydrophobicContact SD-CB 3.71Å; M435-V439 HydrophobicContact SD-CG1 3.25Å; M435-V439 WeakPolarHBondContact SD-CG1 3.37Å; M435-V439 HydrophobicContact SD-CG2 4.48Å; M435-W440 HydrophobicContact CB-CZ2 4.32Å; M435-W440 PolarHBondContact O-NE1 3.31Å
436G36.8Very low44Very low47 Ų4787.7 Ų87.749%0.48545%0.449SS..  trans-73.5163.6163.600000112.1G438 V439G436-G438 PolarHBondContact O-N 3.29Å; G436-V439 PolarHBondContact O-N 2.8Å
437A34.6Very low45.2Very low34 Ų3480.2 Ų80.228%0.28142%0.423SS..Hα-helixtrans-45.7-38.5-173.200000115.7W370 V439 W440 V441W370-A437 HydrophobicContact CD2-CB 4.3Å; W370-A437 HydrophobicContact CG-CB 3.86Å; A437-V439 PolarHBondContact O-N 3.49Å; A437-W440 WeakPolarHBondContact O-CB 3.3Å; A437-W440 PolarHBondContact O-N 2.83Å; A437-V441 PolarHBondContact O-N 3.22Å
438G38.5Very low46.2Very low66 Ų6678.7 Ų78.768%0.6841%0.412SS*.Hα-helixtrans-59.3-31.5-177.800000113.8G436G436-G438 PolarHBondContact O-N 3.29Å
439V45.7Very low47.2Very low68 Ų6879.6 Ų79.641%0.41242%0.416SS..Hα-helixtrans-79.6-25.9179.9-161.30000111.7M435 G436 A437 E443M435-V439 HydrophobicContact CB-CB 4.26Å; M435-V439 HydrophobicContact CG-CB 4.26Å; M435-V439 HydrophobicContact CG-CG1 4.31Å; M435-V439 HydrophobicContact SD-CB 3.71Å; M435-V439 HydrophobicContact SD-CG1 3.25Å; M435-V439 WeakPolarHBondContact SD-CG1 3.37Å; M435-V439 HydrophobicContact SD-CG2 4.48Å; G436-V439 PolarHBondContact O-N 2.8Å; A437-V439 PolarHBondContact O-N 3.49Å; V439-E443 PolarHBondContact O-N 2.89Å; V439-E443 VanDerWaalsContact O-N 3.12Å
440W51.4Low48.3Very low49 Ų4973.8 Ų73.819%0.18640%0.403CS..Hα-helixtrans-71.9-45.4-178.5-69.2100.8000112.9F366 F430 M435 A437 H442 E443 I444F366-W440 HydrophobicContact CD1-CD2 4.17Å; F366-W440 HydrophobicContact CD1-CE3 4.09Å; F366-W440 HydrophobicContact CD1-CG 4.48Å; F366-W440 AromaticContact CE1-CD2 3.89Å; F366-W440 HydrophobicContact CE1-CD2 3.89Å; F366-W440 AromaticContact CE1-CE3 3.42Å; F366-W440 HydrophobicContact CE1-CE3 3.42Å; F366-W440 VanDerWaalsContact CE1-CE3 3.42Å; F366-W440 HydrophobicContact CE1-CH2 4.17Å; F366-W440 AromaticContact CE1-CZ3 3.58Å; F366-W440 HydrophobicContact CE1-CZ3 3.58Å; F366-W440 HydrophobicContact CZ-CE3 4.07Å; F366-W440 HydrophobicContact CZ-CZ3 4.06Å; F430-W440 HydrophobicContact CB-CH2 3.97Å; F430-W440 HydrophobicContact CB-CZ3 4.5Å; F430-W440 HydrophobicContact CD1-CZ3 4.5Å; F430-W440 AromaticContact CD2-CH2 3.98Å; F430-W440 HydrophobicContact CD2-CH2 3.98Å; F430-W440 HydrophobicContact CD2-CZ3 4.26Å; F430-W440 HydrophobicContact CG-CH2 4Å; F430-W440 HydrophobicContact CG-CZ3 4.19Å; M435-W440 HydrophobicContact CB-CZ2 4.32Å; M435-W440 PolarHBondContact O-NE1 3.31Å; A437-W440 WeakPolarHBondContact O-CB 3.3Å; A437-W440 PolarHBondContact O-N 2.83Å; W440-H442 PolarHBondContact O-N 3.1Å; W440-E443 PolarHBondContact O-N 3.32Å; W440-I444 WeakPolarHBondContact O-CG1 3.41Å; W440-I444 PolarHBondContact O-N 2.81Å
441V49.9Very low49.4Very low66 Ų6677.3 Ų77.340%0.442%0.415SS..Hα-helixtrans-57.6-42.1176.3177.80000109.5F363 A437 L445F363-V441 HydrophobicContact CE2-CG2 4.3Å; A437-V441 PolarHBondContact O-N 3.22Å; V441-L445 HydrophobicContact CG1-CD1 3.73Å; V441-L445 HydrophobicContact CG1-CG 4.21Å; V441-L445 WeakPolarHBondContact O-CB 3.45Å; V441-L445 WeakPolarHBondContact O-CG 3.19Å; V441-L445 PolarHBondContact O-N 2.83Å
442H53.5Low50.3Low111 Ų11172 Ų7251%0.51439%0.388SS..Hα-helixtrans-66.1-41.5179.7-162-120.5000113.2W440 R446W440-H442 PolarHBondContact O-N 3.1Å; H442-R446 VanDerWaalsContact O-CB 3.24Å; H442-R446 WeakPolarHBondContact O-CB 3.12Å; H442-R446 PolarHBondContact O-N 2.7Å
443E57.7Low50.8Low39 Ų3973.6 Ų73.618%0.18238%0.382CS..Hα-helixtrans-72.6-38.9179.1-169.964.5-171.500112.5F341 V439 W440 R446 V447F341-E443 HydrophobicContact CZ-CG 4.4Å; V439-E443 PolarHBondContact O-N 2.89Å; V439-E443 VanDerWaalsContact O-N 3.12Å; W440-E443 PolarHBondContact O-N 3.32Å; E443-R446 WeakPolarHBondContact O-CB 3.45Å; E443-R446 PolarHBondContact O-N 2.66Å; E443-R446 IonicContact OE2-CZ 3.71Å; E443-R446 IonicContact OE2-NE 2.81Å; E443-R446 IonicContact OE2-NH1 2.61Å; E443-R446 PolarHBondContact OE2-NH1 3.36Å; E443-V447 WeakPolarHBondContact O-CG2 3.22Å; E443-V447 PolarHBondContact O-N 2.88Å
444I57Low51.4Low4 Ų472.5 Ų72.52%0.02138%0.379CS..Hα-helixtrans-63.1-47.2173.4-65.7170000109.6F341 L344 F359 T362 F366 W440 R446 V447 I448F341-I444 HydrophobicContact CD2-CG1 4.41Å; F341-I444 HydrophobicContact CE2-CG1 4.18Å; L344-I444 HydrophobicContact CD1-CG2 4.23Å; F359-I444 HydrophobicContact CD2-CG2 3.7Å; F359-I444 HydrophobicContact CE2-CG2 3.61Å; T362-I444 HydrophobicContact CG2-CD1 4.29Å; F366-I444 HydrophobicContact CD2-CD1 3.98Å; F366-I444 HydrophobicContact CE2-CD1 4.17Å; F366-I444 HydrophobicContact CG-CD1 4.39Å; W440-I444 WeakPolarHBondContact O-CG1 3.41Å; W440-I444 PolarHBondContact O-N 2.81Å; I444-R446 VanDerWaalsContact C-N 3.27Å; I444-R446 PolarHBondContact O-N 2.91Å; I444-V447 PolarHBondContact O-N 2.98Å; I444-I448 HydrophobicContact CG2-CD1 3.78Å; I444-I448 HydrophobicContact CG2-CG1 4.48Å; I444-I448 WeakPolarHBondContact O-CB 3.28Å; I444-I448 VanDerWaalsContact O-CG1 3.28Å; I444-I448 WeakPolarHBondContact O-CG1 3.39Å; I444-I448 PolarHBondContact O-N 3.44Å
445L60.6Low51.4Low86 Ų8661.6 Ų61.645%0.4534%0.34SS..Hα-helixtrans-59.6-37.9174.2-74.5175.5000111.4V441 I448 H449V441-L445 HydrophobicContact CG1-CD1 3.73Å; V441-L445 HydrophobicContact CG1-CG 4.21Å; V441-L445 WeakPolarHBondContact O-CB 3.45Å; V441-L445 WeakPolarHBondContact O-CG 3.19Å; V441-L445 PolarHBondContact O-N 2.83Å; L445-I448 PolarHBondContact O-N 3.34Å; L445-H449 WeakPolarHBondContact O-CB 3.28Å; L445-H449 PolarHBondContact O-N 3.33Å
446R65.4Low51.1Low141 Ų14164.5 Ų64.553%0.53236%0.356SS..Hα-helixtrans-65.3-44.2177.3-170.6-171.4-81.2162.5-14.6111.9H442 E443 I444 I448 H449 S450H442-R446 VanDerWaalsContact O-CB 3.24Å; H442-R446 WeakPolarHBondContact O-CB 3.12Å; H442-R446 PolarHBondContact O-N 2.7Å; E443-R446 WeakPolarHBondContact O-CB 3.45Å; E443-R446 PolarHBondContact O-N 2.66Å; E443-R446 IonicContact OE2-CZ 3.71Å; E443-R446 IonicContact OE2-NE 2.81Å; E443-R446 IonicContact OE2-NH1 2.61Å; E443-R446 PolarHBondContact OE2-NH1 3.36Å; I444-R446 VanDerWaalsContact C-N 3.27Å; I444-R446 PolarHBondContact O-N 2.91Å; R446-I448 VanDerWaalsContact C-N 3.35Å; R446-H449 PolarHBondContact O-N 3.31Å; R446-S450 WeakPolarHBondContact O-CB 3.32Å; R446-S450 PolarHBondContact O-N 2.83Å; R446-S450 PolarHBondContact O-OG 2.92Å
447V63.5Low51Low22 Ų2267 Ų6713%0.13336%0.362CS..Hα-helixtrans-61.7-45.5174.8172.60000110.2F341 L344 E443 I444 S450 R451F341-V447 HydrophobicContact CE2-CG2 4.48Å; F341-V447 HydrophobicContact CZ-CG2 4Å; L344-V447 HydrophobicContact CB-CG1 4.4Å; E443-V447 WeakPolarHBondContact O-CG2 3.22Å; E443-V447 PolarHBondContact O-N 2.88Å; I444-V447 PolarHBondContact O-N 2.98Å; V447-S450 PolarHBondContact O-N 3.24Å; V447-S450 PolarHBondContact O-OG 2.85Å; V447-R451 PolarHBondContact O-N 2.95Å
448I59.9Low51.1Low17 Ų1769.3 Ų69.39%0.08738%0.38CS..Hα-helixtrans-62.5-49176.8-69.4171.7000110.8W355 F359 I444 L445 R446 S450 R451 V452W355-I448 HydrophobicContact CE3-CD1 4.22Å; W355-I448 HydrophobicContact CE3-CG2 4.24Å; W355-I448 HydrophobicContact CH2-CG2 4.34Å; W355-I448 HydrophobicContact CZ3-CD1 4.08Å; W355-I448 HydrophobicContact CZ3-CG2 4.15Å; F359-I448 HydrophobicContact CB-CD1 4.16Å; F359-I448 HydrophobicContact CD2-CD1 3.2Å; F359-I448 HydrophobicContact CE2-CD1 3.7Å; F359-I448 HydrophobicContact CG-CD1 3.86Å; I444-I448 HydrophobicContact CG2-CD1 3.78Å; I444-I448 HydrophobicContact CG2-CG1 4.48Å; I444-I448 WeakPolarHBondContact O-CB 3.28Å; I444-I448 VanDerWaalsContact O-CG1 3.28Å; I444-I448 WeakPolarHBondContact O-CG1 3.39Å; I444-I448 PolarHBondContact O-N 3.44Å; L445-I448 PolarHBondContact O-N 3.34Å; R446-I448 VanDerWaalsContact C-N 3.35Å; I448-S450 VanDerWaalsContact C-N 3.28Å; I448-S450 PolarHBondContact O-N 2.97Å; I448-R451 PolarHBondContact O-N 3.1Å; I448-V452 HydrophobicContact CG2-CB 4.13Å; I448-V452 HydrophobicContact CG2-CG2 3.67Å; I448-V452 VanDerWaalsContact O-CB 3.3Å; I448-V452 WeakPolarHBondContact O-CB 3.48Å; I448-V452 WeakPolarHBondContact O-CG2 3.46Å; I448-V452 PolarHBondContact O-N 3.33Å
449H61.9Low50.9Low121 Ų12172.2 Ų72.256%0.5638%0.377SS*.Iπ-helixtrans-59.7-41.2179.7-157.9-95.4000110.9L445 R446 R451 M453L445-H449 WeakPolarHBondContact O-CB 3.28Å; L445-H449 PolarHBondContact O-N 3.33Å; R446-H449 PolarHBondContact O-N 3.31Å; H449-R451 PolarHBondContact O-N 3.26Å; H449-M453 WeakPolarHBondContact O-CB 3.33Å; H449-M453 PolarHBondContact O-N 3.46Å
450S62.5Low50Low63 Ų6373.8 Ų73.844%0.44139%0.386SS..Iπ-helixtrans-65.7-15.9177.676.40000114.9R446 V447 I448 V454R446-S450 WeakPolarHBondContact O-CB 3.32Å; R446-S450 PolarHBondContact O-N 2.83Å; R446-S450 PolarHBondContact O-OG 2.92Å; V447-S450 PolarHBondContact O-N 3.24Å; V447-S450 PolarHBondContact O-OG 2.85Å; I448-S450 VanDerWaalsContact C-N 3.28Å; I448-S450 PolarHBondContact O-N 2.97Å; S450-V454 WeakPolarHBondContact O-CG2 3.46Å
451R58.6Low48.9Very low121 Ų12177.2 Ų77.246%0.45742%0.415SS..Iπ-helixtrans-118.6-38.5-176.5-65.7-62.5-170.9157.74.4113.7V447 I448 H449V447-R451 PolarHBondContact O-N 2.95Å; I448-R451 PolarHBondContact O-N 3.1Å; H449-R451 PolarHBondContact O-N 3.26Å
452V53.1Low47.8Very low25 Ų2580.4 Ų80.415%0.15243%0.434CS..Iπ-helixtrans-80.7-45.2-179.8179.80000111.5W355 I448 V454 S455 L456W355-V452 HydrophobicContact CB-CG2 4.5Å; W355-V452 HydrophobicContact CD2-CG2 3.99Å; W355-V452 HydrophobicContact CG-CG2 3.78Å; W355-V452 HydrophobicContact CZ2-CG1 4.45Å; I448-V452 HydrophobicContact CG2-CB 4.13Å; I448-V452 HydrophobicContact CG2-CG2 3.67Å; I448-V452 VanDerWaalsContact O-CB 3.3Å; I448-V452 WeakPolarHBondContact O-CB 3.48Å; I448-V452 WeakPolarHBondContact O-CG2 3.46Å; I448-V452 PolarHBondContact O-N 3.33Å; V452-V454 VanDerWaalsContact C-N 3.3Å; V452-V454 PolarHBondContact O-N 3.02Å; V452-S455 WeakPolarHBondContact O-CA 3.44Å; V452-S455 WeakPolarHBondContact O-CB 3.36Å; V452-S455 PolarHBondContact O-N 3.44Å; V452-L456 PolarHBondContact O-N 3.17Å; V452-L456 VanDerWaalsContact O-N 3.14Å
453M46.8Very low46.5Very low87 Ų8780.9 Ų80.943%0.42945%0.448SS..Iπ-helixtrans-69.5-30.5177.5-82.2-72.9-173.100112.1H449 S455 L456 T457H449-M453 WeakPolarHBondContact O-CB 3.33Å; H449-M453 PolarHBondContact O-N 3.46Å; M453-S455 PolarHBondContact O-N 2.87Å; M453-L456 HydrophobicContact CE-CD1 4.5Å; M453-L456 PolarHBondContact O-N 3.01Å; M453-L456 VanDerWaalsContact O-N 3.14Å; M453-L456 HydrophobicContact SD-CB 4.41Å; M453-L456 HydrophobicContact SD-CD1 3.93Å; M453-T457 PolarHBondContact O-N 3.26Å; M453-T457 PolarHBondContact O-OG1 2.83Å
454V44.2Very low44.9Very low80 Ų8084.9 Ų84.949%0.48548%0.476SS..Hα-helixtrans-60-31.9171.1178.60000110.9S450 V452 T457 A458S450-V454 WeakPolarHBondContact O-CG2 3.46Å; V452-V454 VanDerWaalsContact C-N 3.3Å; V452-V454 PolarHBondContact O-N 3.02Å; V454-T457 PolarHBondContact O-OG1 3.41Å; V454-A458 WeakPolarHBondContact O-CB 3.34Å; V454-A458 PolarHBondContact O-N 2.85Å
455S37Very low43.6Very low12 Ų1290.4 Ų90.48%0.08451%0.512CS..Hα-helixtrans-75.5-36.3174.6-165.90000113.4V452 M453 A458 Q459V452-S455 WeakPolarHBondContact O-CA 3.44Å; V452-S455 WeakPolarHBondContact O-CB 3.36Å; V452-S455 PolarHBondContact O-N 3.44Å; M453-S455 PolarHBondContact O-N 2.87Å; S455-A458 PolarHBondContact O-N 3.48Å; S455-Q459 PolarHBondContact O-N 3.08Å
456L34.3Very low42Very low96 Ų9696.5 Ų96.550%0.50354%0.535SS..Hα-helixtrans-69.7-39.3177.8-77.1167.2000111.5V452 M453 A458 Q459 T460V452-L456 PolarHBondContact O-N 3.17Å; V452-L456 VanDerWaalsContact O-N 3.14Å; M453-L456 HydrophobicContact CE-CD1 4.5Å; M453-L456 PolarHBondContact O-N 3.01Å; M453-L456 VanDerWaalsContact O-N 3.14Å; M453-L456 HydrophobicContact SD-CB 4.41Å; M453-L456 HydrophobicContact SD-CD1 3.93Å; L456-A458 VanDerWaalsContact C-N 3.26Å; L456-A458 PolarHBondContact O-N 3.31Å; L456-Q459 PolarHBondContact O-N 3.01Å; L456-T460 PolarHBondContact O-N 3.48Å; L456-T460 PolarHBondContact O-OG1 3.22Å
457T36Very low40.2Very low100 Ų10095.1 Ų95.161%0.61354%0.542SS*.Hα-helixtrans-70.5-21.7175.151.70000113.4M453 V454M453-T457 PolarHBondContact O-N 3.26Å; M453-T457 PolarHBondContact O-OG1 2.83Å; V454-T457 PolarHBondContact O-OG1 3.41Å
458A35.1Very low38.4Very low81 Ų81105.8 Ų105.867%0.66958%0.58SS**Hα-helixtrans-80.7-18.6175.600000113V454 S455 L456V454-A458 WeakPolarHBondContact O-CB 3.34Å; V454-A458 PolarHBondContact O-N 2.85Å; S455-A458 PolarHBondContact O-N 3.48Å; L456-A458 VanDerWaalsContact C-N 3.26Å; L456-A458 PolarHBondContact O-N 3.31Å
459Q34.6Very low36.6Very low128 Ų128112.9 Ų112.960%0.59861%0.612SS**Hα-helixtrans-100.9-9-177.9-73.8-169.8-18.200114.5S455 L456S455-Q459 PolarHBondContact O-N 3.08Å; L456-Q459 PolarHBondContact O-N 3.01Å
460T26.2Very low35.1Very low101 Ų101119.7 Ų119.762%0.6264%0.644SS**SBendtrans-104.3113.517147.70000110.4L456 V462L456-T460 PolarHBondContact O-N 3.48Å; L456-T460 PolarHBondContact O-OG1 3.22Å; T460-V462 PolarHBondContact O-N 3.15Å
461P28.5Very low33.7Very low120 Ų120122.5 Ų122.578%0.77965%0.654SS**  trans-67.2120.1172.726.5-29.3000108.9
462V26.7Very low32.4Very low133 Ų133122.6 Ų122.681%0.80666%0.664SS**  trans49.4100.2152.4-168.20000115.9T460T460-V462 PolarHBondContact O-N 3.15Å
463C26.1Very low31.3Very low121 Ų121128 Ų12882%0.81869%0.693SS**  trans-167.2103.6142.7-101.30000111.4
464T26Very low30.4Very low123 Ų123130.4 Ų130.476%0.75571%0.709SS**  trans49.4137.414639.10000122.9F466T464-F466 PolarHBondContact O-N 3.4Å
465P28.5Very low29.5Very low120 Ų120133.6 Ų133.678%0.77972%0.723SS**PPolyproline II helixtrans-76.4122.4-176.424.1-17.4000111.8V467P465-V467 PolarHBondContact O-N 2.96Å
466F27.2Very low29Very low215 Ų215141.7 Ų141.794%0.94377%0.765SS**PPolyproline II helixtrans-66.4122.6173.9-108.5-96.6000111.2T464T464-F466 PolarHBondContact O-N 3.4Å
467V28.4Very low28.6Very low112 Ų112144.9 Ų144.968%0.67978%0.784SS**PPolyproline II helixtrans-66.9136.9176.8172.40000110.3P465 H469P465-V467 PolarHBondContact O-N 2.96Å; V467-H469 PolarHBondContact O-N 3.2Å
468R24.9Very low28Very low246 Ų246148.4 Ų148.493%0.92880%0.797SS**PPolyproline II helixtrans-59.2116.8170-82.7178.8174.5173.8-2.5110.2
469H23Very low27.5Very low165 Ų165154 Ų15476%0.76481%0.808SS**  trans-124102.1158.4-93.6-66.7000108.8V467V467-H469 PolarHBondContact O-N 3.2Å
470H29.5Very low26.8Very low264 Ų264156.4 Ų156.4100%1.22283%0.827SS**  1740124.1-102.1-68.3000110.8

Retrieved 470 of 470 residues in 441.1 ms (Link to these results)

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