A0A077YY55_TRITR Loading...

DUF3452 and RB B and RB A domain containing prote in

AlphaFold DB , UniProt , Accession A0A077YY55, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 892 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M23.6Very low42.3Very low193 Ų193107.2 Ų107.295%0.95157%0.571SS**  0-470-79.7-156.2179.300110.1D3 I4 E5M1-D3 VanDerWaalsContact C-N 3.33Å; M1-D3 PolarHBondContact O-N 2.9Å; M1-I4 PolarHBondContact O-N 2.91Å; M1-E5 PolarHBondContact O-N 3.15Å
2A28.9Very low45.4Very low71 Ų71108.6 Ų108.659%0.58757%0.571SS**Hα-helixtrans-47.2-47.8171.300000114.2I4 E5 E6A2-I4 VanDerWaalsContact C-N 3.29Å; A2-I4 PolarHBondContact O-N 3.4Å; A2-E5 PolarHBondContact O-N 3.29Å; A2-E6 PolarHBondContact O-N 3.26Å
3D29.1Very low48.2Very low114 Ų114104.4 Ų104.461%0.6155%0.549SS*.Hα-helixtrans-65.6-25.4178.7-63.3-1000114.8M1 H7M1-D3 VanDerWaalsContact C-N 3.33Å; M1-D3 PolarHBondContact O-N 2.9Å; D3-H7 PolarHBondContact O-CD2 3.02Å; D3-H7 PolarHBondContact O-N 2.71Å
4I33.8Very low50.8Low127 Ų127102.1 Ų102.165%0.65153%0.534SS*.Hα-helixtrans-79.9-41.4-179.4-62.5176.4000109.6M1 A2 T8M1-I4 PolarHBondContact O-N 2.91Å; A2-I4 VanDerWaalsContact C-N 3.29Å; A2-I4 PolarHBondContact O-N 3.4Å; I4-T8 PolarHBondContact O-OG1 2.88Å
5E32.4Very low53.2Low125 Ų125104.1 Ų104.158%0.58454%0.539SS*.Hα-helixtrans-64-43.8174.6-75.8172.6170.200111.1M1 A2 H7 T8 E9M1-E5 PolarHBondContact O-N 3.15Å; A2-E5 PolarHBondContact O-N 3.29Å; E5-H7 VanDerWaalsContact C-N 3.31Å; E5-H7 PolarHBondContact O-N 2.98Å; E5-T8 PolarHBondContact O-N 3.28Å; E5-T8 PolarHBondContact O-OG1 3.3Å; E5-E9 PolarHBondContact O-N 3.5Å
6E38.3Very low55.5Low102 Ų102105.6 Ų105.648%0.47754%0.543SS..Hα-helixtrans-58.4-39.2179.1-117.4-171.4168.800112.9A2 V10A2-E6 PolarHBondContact O-N 3.26Å; E6-V10 VanDerWaalsContact O-CB 3.24Å; E6-V10 WeakPolarHBondContact O-CB 3.41Å; E6-V10 WeakPolarHBondContact O-CG2 3.43Å; E6-V10 PolarHBondContact O-N 3.43Å
7H42.2Very low57.5Low144 Ų144101.4 Ų101.467%0.66752%0.52SS*.Hα-helixtrans-69.9-35.9-179-80.1-50.8000113.3D3 E5 S11D3-H7 PolarHBondContact O-CD2 3.02Å; D3-H7 PolarHBondContact O-N 2.71Å; E5-H7 VanDerWaalsContact C-N 3.31Å; E5-H7 PolarHBondContact O-N 2.98Å; H7-S11 PolarHBondContact O-N 3.11Å
8T50.4Low59.3Low82 Ų8298.2 Ų98.250%0.50350%0.503SS..Hα-helixtrans-70.9-49176.3-2.70000111.1I4 E5 V10 S11 E12I4-T8 PolarHBondContact O-OG1 2.88Å; E5-T8 PolarHBondContact O-N 3.28Å; E5-T8 PolarHBondContact O-OG1 3.3Å; T8-V10 VanDerWaalsContact C-N 3.34Å; T8-V10 PolarHBondContact O-N 3.31Å; T8-S11 WeakPolarHBondContact O-CB 3.31Å; T8-S11 PolarHBondContact O-N 3.18Å; T8-S11 VanDerWaalsContact O-N 3.12Å; T8-E12 PolarHBondContact O-N 3.47Å; T8-E12 VanDerWaalsContact O-N 3.11Å
9E54.7Low61Low114 Ų11495.3 Ų95.353%0.53349%0.493SS..Hα-helixtrans-61.4-40.9178.5-74.1-175.1174.700112.3E5 S11 E12 L13E5-E9 PolarHBondContact O-N 3.5Å; E9-S11 VanDerWaalsContact C-N 3.26Å; E9-S11 PolarHBondContact O-N 3.19Å; E9-E12 PolarHBondContact O-N 2.88Å; E9-L13 VanDerWaalsContact O-CB 3.25Å; E9-L13 WeakPolarHBondContact O-CB 3.02Å; E9-L13 PolarHBondContact O-N 3.3Å
10V61.1Low62.5Low36 Ų3695.2 Ų95.222%0.21849%0.492CS..Hα-helixtrans-63.8-34.9177.7171.10000111.3E6 T8 E14E6-V10 VanDerWaalsContact O-CB 3.24Å; E6-V10 WeakPolarHBondContact O-CB 3.41Å; E6-V10 WeakPolarHBondContact O-CG2 3.43Å; E6-V10 PolarHBondContact O-N 3.43Å; T8-V10 VanDerWaalsContact C-N 3.34Å; T8-V10 PolarHBondContact O-N 3.31Å; V10-E14 VanDerWaalsContact O-CB 3.24Å; V10-E14 WeakPolarHBondContact O-CB 3.42Å; V10-E14 PolarHBondContact O-N 3.02Å
11S71.2Confident63.9Low71 Ų7190.8 Ų90.850%0.49747%0.47SS..Hα-helixtrans-70.2-42.8178.3-170.40000112.1H7 T8 E9 E14 E15H7-S11 PolarHBondContact O-N 3.11Å; T8-S11 WeakPolarHBondContact O-CB 3.31Å; T8-S11 PolarHBondContact O-N 3.18Å; T8-S11 VanDerWaalsContact O-N 3.12Å; E9-S11 VanDerWaalsContact C-N 3.26Å; E9-S11 PolarHBondContact O-N 3.19Å; S11-E14 PolarHBondContact O-N 3.23Å; S11-E15 PolarHBondContact O-N 3.18Å
12E79.6Confident67.1Low124 Ų12488.8 Ų88.858%0.57945%0.451SS*.Hα-helixtrans-64.2-46177.2-70178.1-17900110.8T8 E9 E14 E15 E16T8-E12 PolarHBondContact O-N 3.47Å; T8-E12 VanDerWaalsContact O-N 3.11Å; E9-E12 PolarHBondContact O-N 2.88Å; E12-E14 VanDerWaalsContact C-N 3.33Å; E12-E14 PolarHBondContact O-N 3.3Å; E12-E15 WeakPolarHBondContact O-CB 3.46Å; E12-E15 PolarHBondContact O-N 3.05Å; E12-E15 VanDerWaalsContact O-N 3.13Å; E12-E16 PolarHBondContact O-N 3.34Å
13L81.4Confident70.2Confident54 Ų5492.7 Ų92.728%0.28346%0.458SS..Hα-helixtrans-65-35.9177.7-160.7101000112.4E9 F17 W35 F38E9-L13 VanDerWaalsContact O-CB 3.25Å; E9-L13 WeakPolarHBondContact O-CB 3.02Å; E9-L13 PolarHBondContact O-N 3.3Å; L13-F17 VanDerWaalsContact O-CB 3.26Å; L13-F17 WeakPolarHBondContact O-CB 3.41Å; L13-F17 PolarHBondContact O-N 2.87Å; L13-W35 HydrophobicContact CD2-CH2 4.32Å; L13-F38 HydrophobicContact CD2-CE1 3.47Å; L13-F38 VanDerWaalsContact CD2-CE1 3.47Å; L13-F38 HydrophobicContact CD2-CZ 3.84Å; L13-F38 HydrophobicContact CG-CE1 4.41Å
14E84.7Confident73.2Confident73 Ų7392.9 Ų92.934%0.34146%0.458SS..Hα-helixtrans-63.7-43172-173.9165.4-177.600111V10 S11 E12 F17 M18 W35V10-E14 VanDerWaalsContact O-CB 3.24Å; V10-E14 WeakPolarHBondContact O-CB 3.42Å; V10-E14 PolarHBondContact O-N 3.02Å; S11-E14 PolarHBondContact O-N 3.23Å; E12-E14 VanDerWaalsContact C-N 3.33Å; E12-E14 PolarHBondContact O-N 3.3Å; E14-F17 PolarHBondContact O-N 2.79Å; E14-M18 HydrophobicContact CG-CE 4.4Å; E14-M18 HydrophobicContact CG-CG 4.18Å; E14-M18 WeakPolarHBondContact O-CB 3.5Å; E14-M18 WeakPolarHBondContact O-CG 3.45Å; E14-M18 PolarHBondContact O-N 3.28Å; E14-W35 HydrophobicContact CB-CH2 3.55Å; E14-W35 HydrophobicContact CB-CZ2 3.36Å; E14-W35 HydrophobicContact CB-CZ3 4.34Å; E14-W35 HydrophobicContact CG-CD2 4.27Å; E14-W35 HydrophobicContact CG-CH2 4.05Å; E14-W35 HydrophobicContact CG-CZ2 3.51Å; E14-W35 PolarHBondContact OE1-NE1 3.05Å
15E86.5Confident76Confident131 Ų13195.5 Ų95.561%0.61247%0.467SS*.Hα-helixtrans-64.5-43.6178.5-174.2167.7-168.200112S11 E12 M18 S19S11-E15 PolarHBondContact O-N 3.18Å; E12-E15 WeakPolarHBondContact O-CB 3.46Å; E12-E15 PolarHBondContact O-N 3.05Å; E12-E15 VanDerWaalsContact O-N 3.13Å; E15-M18 PolarHBondContact O-N 3.17Å; E15-S19 WeakPolarHBondContact O-CB 3.49Å; E15-S19 PolarHBondContact O-N 3.1Å
16E89.5Confident78.8Confident129 Ų12992.3 Ų92.360%0.60345%0.454SS*.Hα-helixtrans-61.8-48.4174.2-73.3-173.9174.600111.7E12 M18 S19 I20E12-E16 PolarHBondContact O-N 3.34Å; E16-M18 VanDerWaalsContact C-N 3.31Å; E16-M18 PolarHBondContact O-N 3.29Å; E16-S19 WeakPolarHBondContact O-CA 3.46Å; E16-S19 VanDerWaalsContact O-CB 3.23Å; E16-S19 WeakPolarHBondContact O-CB 3.29Å; E16-S19 PolarHBondContact O-N 2.97Å; E16-I20 PolarHBondContact O-N 3.18Å
17F90.4Very high81.3Confident34 Ų3490 Ų9015%0.14945%0.45CS..Hα-helixtrans-61.5-41.8177.6-174-86.4000111.7L13 E14 S19 I20 C21 A34 W35 F38L13-F17 VanDerWaalsContact O-CB 3.26Å; L13-F17 WeakPolarHBondContact O-CB 3.41Å; L13-F17 PolarHBondContact O-N 2.87Å; E14-F17 PolarHBondContact O-N 2.79Å; F17-S19 VanDerWaalsContact C-N 3.28Å; F17-S19 PolarHBondContact O-N 2.74Å; F17-I20 PolarHBondContact O-N 3.46Å; F17-C21 WeakPolarHBondContact CE1-SG 3.39Å; F17-C21 PolarHBondContact O-N 3.45Å; F17-C21 PolarHBondContact O-SG 3.2Å; F17-A34 HydrophobicContact CE1-CB 4.06Å; F17-A34 HydrophobicContact CZ-CB 3.93Å; F17-W35 HydrophobicContact CB-CE3 3.74Å; F17-W35 HydrophobicContact CB-CZ3 3.6Å; F17-W35 HydrophobicContact CD1-CB 4.08Å; F17-W35 HydrophobicContact CD1-CD2 4.22Å; F17-W35 AromaticContact CD1-CE3 3.44Å; F17-W35 HydrophobicContact CD1-CE3 3.44Å; F17-W35 VanDerWaalsContact CD1-CE3 3.44Å; F17-W35 HydrophobicContact CD1-CZ3 4.21Å; F17-W35 HydrophobicContact CD2-CE3 4.11Å; F17-W35 HydrophobicContact CD2-CZ3 4.34Å; F17-W35 VanDerWaalsContact CE1-CA 3.43Å; F17-W35 HydrophobicContact CE1-CB 3.82Å; F17-W35 HydrophobicContact CE1-CE3 4.04Å; F17-W35 AromaticContact CG-CE3 3.48Å; F17-W35 HydrophobicContact CG-CE3 3.48Å; F17-W35 VanDerWaalsContact CG-CE3 3.48Å; F17-W35 AromaticContact CG-CZ3 3.8Å; F17-W35 HydrophobicContact CG-CZ3 3.8Å; F17-F38 HydrophobicContact CD2-CB 4.1Å; F17-F38 HydrophobicContact CD2-CD1 4.03Å; F17-F38 AromaticContact CD2-CD2 3.86Å; F17-F38 HydrophobicContact CD2-CD2 3.86Å; F17-F38 HydrophobicContact CD2-CE1 4.47Å; F17-F38 HydrophobicContact CD2-CE2 4.3Å; F17-F38 AromaticContact CD2-CG 3.71Å; F17-F38 HydrophobicContact CD2-CG 3.71Å; F17-F38 HydrophobicContact CE2-CB 3.45Å; F17-F38 VanDerWaalsContact CE2-CB 3.45Å; F17-F38 HydrophobicContact CE2-CD1 4.25Å; F17-F38 AromaticContact CE2-CD2 3.65Å; F17-F38 HydrophobicContact CE2-CD2 3.65Å; F17-F38 HydrophobicContact CE2-CE2 4.48Å; F17-F38 AromaticContact CE2-CG 3.5Å; F17-F38 HydrophobicContact CE2-CG 3.5Å; F17-F38 HydrophobicContact CZ-CB 3.76Å; F17-F38 HydrophobicContact CZ-CG 4.28Å
18M89.2Confident83.2Confident43 Ų4388.6 Ų88.621%0.21245%0.453CS..Hα-helixtrans-67.4-30.7175.3-71-68.2-176.500111.5E14 E15 E16 C21 R22 W35E14-M18 HydrophobicContact CG-CE 4.4Å; E14-M18 HydrophobicContact CG-CG 4.18Å; E14-M18 WeakPolarHBondContact O-CB 3.5Å; E14-M18 WeakPolarHBondContact O-CG 3.45Å; E14-M18 PolarHBondContact O-N 3.28Å; E15-M18 PolarHBondContact O-N 3.17Å; E16-M18 VanDerWaalsContact C-N 3.31Å; E16-M18 PolarHBondContact O-N 3.29Å; M18-C21 PolarHBondContact O-N 2.8Å; M18-R22 WeakPolarHBondContact O-CG 3.46Å; M18-R22 PolarHBondContact O-N 3.43Å; M18-W35 HydrophobicContact CE-CB 4.12Å; M18-W35 HydrophobicContact CE-CG 4.12Å
19S91.2Very high84.8Confident44 Ų4487.8 Ų87.831%0.30845%0.454SS..Hα-helixtrans-62.4-47.8171.7-157.80000111.5E15 E16 F17 C21 R22 E23E15-S19 WeakPolarHBondContact O-CB 3.49Å; E15-S19 PolarHBondContact O-N 3.1Å; E16-S19 WeakPolarHBondContact O-CA 3.46Å; E16-S19 VanDerWaalsContact O-CB 3.23Å; E16-S19 WeakPolarHBondContact O-CB 3.29Å; E16-S19 PolarHBondContact O-N 2.97Å; F17-S19 VanDerWaalsContact C-N 3.28Å; F17-S19 PolarHBondContact O-N 2.74Å; S19-C21 VanDerWaalsContact C-N 3.3Å; S19-C21 PolarHBondContact O-N 3.06Å; S19-R22 VanDerWaalsContact CA-NH2 3.31Å; S19-R22 WeakPolarHBondContact O-CB 3.47Å; S19-R22 PolarHBondContact O-N 2.91Å; S19-R22 VanDerWaalsContact O-N 3.07Å; S19-E23 PolarHBondContact O-N 3.08Å
20I92.1Very high86.3Confident92 Ų9288.7 Ų88.747%0.47246%0.456SS..Hα-helixtrans-60.3-41.8174.7-62.9167.6000110.6E16 F17 R22 E23 L24E16-I20 PolarHBondContact O-N 3.18Å; F17-I20 PolarHBondContact O-N 3.46Å; I20-R22 VanDerWaalsContact C-N 3.28Å; I20-R22 PolarHBondContact O-N 3.44Å; I20-E23 PolarHBondContact O-N 2.91Å; I20-L24 HydrophobicContact CG2-CD1 3.93Å; I20-L24 HydrophobicContact CG2-CG 4.42Å; I20-L24 WeakPolarHBondContact O-CB 3.36Å; I20-L24 WeakPolarHBondContact O-CG 3.46Å; I20-L24 PolarHBondContact O-N 3.26Å
21C91.8Very high87.6Confident4 Ų487.5 Ų87.53%0.02745%0.45CS..Hα-helixtrans-62.7-34.3176.4-690000113F17 M18 S19 E25 L26F17-C21 WeakPolarHBondContact CE1-SG 3.39Å; F17-C21 PolarHBondContact O-N 3.45Å; F17-C21 PolarHBondContact O-SG 3.2Å; M18-C21 PolarHBondContact O-N 2.8Å; S19-C21 VanDerWaalsContact C-N 3.3Å; S19-C21 PolarHBondContact O-N 3.06Å; C21-E25 PolarHBondContact O-N 3.4Å; C21-L26 HydrophobicContact CB-CD1 4.22Å; C21-L26 PolarHBondContact O-N 3.04Å
22R90.1Very high88.1Confident150 Ų15087 Ų8757%0.56644%0.442SS*.Hα-helixtrans-69.6-42.6174.9-74.2-177.9-64.3-102.35.6111.3M18 S19 I20 L24 E25M18-R22 WeakPolarHBondContact O-CG 3.46Å; M18-R22 PolarHBondContact O-N 3.43Å; S19-R22 VanDerWaalsContact CA-NH2 3.31Å; S19-R22 WeakPolarHBondContact O-CB 3.47Å; S19-R22 PolarHBondContact O-N 2.91Å; S19-R22 VanDerWaalsContact O-N 3.07Å; I20-R22 VanDerWaalsContact C-N 3.28Å; I20-R22 PolarHBondContact O-N 3.44Å; R22-L24 VanDerWaalsContact C-N 3.29Å; R22-L24 PolarHBondContact O-N 2.81Å; R22-E25 PolarHBondContact O-N 2.95Å; R22-E25 VanDerWaalsContact O-N 3.13Å
23E93.6Very high88.2Confident154 Ų15486.7 Ų86.772%0.7244%0.443SS*.Hα-helixtrans-63.4-34.2176.1-72179.2-17300112.7S19 I20 E25S19-E23 PolarHBondContact O-N 3.08Å; I20-E23 PolarHBondContact O-N 2.91Å; E23-E25 PolarHBondContact O-N 2.62Å
24L93.8Very high88.2Confident117 Ų11785.9 Ų85.961%0.61344%0.444SS*.THydrogen-bonded Turntrans-81.46.8175.6-66.6174.4000114.1I20 R22 L26I20-L24 HydrophobicContact CG2-CD1 3.93Å; I20-L24 HydrophobicContact CG2-CG 4.42Å; I20-L24 WeakPolarHBondContact O-CB 3.36Å; I20-L24 WeakPolarHBondContact O-CG 3.46Å; I20-L24 PolarHBondContact O-N 3.26Å; R22-L24 VanDerWaalsContact C-N 3.29Å; R22-L24 PolarHBondContact O-N 2.81Å; L24-L26 HydrophobicContact CB-CD1 4.38Å; L24-L26 HydrophobicContact CB-CG 4.02Å; L24-L26 PolarHBondContact O-N 3Å; L24-L26 VanDerWaalsContact O-N 3.12Å
25E92.9Very high88.2Confident182 Ų18282.9 Ų82.985%0.8543%0.429SS*.THydrogen-bonded Turntrans52.432.7-178.2-57.9-175.3168.400113.7C21 R22 E23 S27C21-E25 PolarHBondContact O-N 3.4Å; R22-E25 PolarHBondContact O-N 2.95Å; R22-E25 VanDerWaalsContact O-N 3.13Å; E23-E25 PolarHBondContact O-N 2.62Å; E25-S27 PolarHBondContact O-N 2.93Å
26L90.5Very high87.9Confident58 Ų5883.8 Ų83.830%0.30443%0.427SS..  trans-72131.2179.1-66.6176.5000110.6C21 L24 K30 S31C21-L26 HydrophobicContact CB-CD1 4.22Å; C21-L26 PolarHBondContact O-N 3.04Å; L24-L26 HydrophobicContact CB-CD1 4.38Å; L24-L26 HydrophobicContact CB-CG 4.02Å; L24-L26 PolarHBondContact O-N 3Å; L24-L26 VanDerWaalsContact O-N 3.12Å; L26-K30 HydrophobicContact CB-CB 4.31Å; L26-K30 HydrophobicContact CD2-CB 4.34Å; L26-K30 HydrophobicContact CD2-CD 4.22Å; L26-S31 WeakPolarHBondContact CB-OG 3.5Å; L26-S31 PolarHBondContact O-OG 3.42Å
27S90.1Very high87.2Confident55 Ų5579.4 Ų79.439%0.38542%0.417SS..  trans-57.5148.2171.667.20000110.4E25 A29 K30 S31E25-S27 PolarHBondContact O-N 2.93Å; S27-A29 PolarHBondContact O-N 3.1Å; S27-K30 WeakPolarHBondContact O-CA 3.4Å; S27-K30 WeakPolarHBondContact O-CB 3.37Å; S27-K30 PolarHBondContact O-N 3.39Å; S27-K30 WeakPolarHBondContact OG-CG 3.41Å; S27-K30 PolarHBondContact OG-N 3.33Å; S27-S31 PolarHBondContact O-N 3.43Å; S27-S31 PolarHBondContact O-OG 3.35Å
28P83.2Confident86.8Confident114 Ų11481.3 Ų81.374%0.7443%0.425SS*.Hα-helixtrans-51.5-35.4-178.6-28.934.5000114.6S31 D32P28-S31 PolarHBondContact O-N 3.32Å; P28-D32 PolarHBondContact O-N 3.46Å
29A83.4Confident86.3Confident64 Ų6483 Ų8353%0.52943%0.432SS..Hα-helixtrans-67.9-38.117600000113.1S27 I33S27-A29 PolarHBondContact O-N 3.1Å; A29-I33 WeakPolarHBondContact O-CD1 3.4Å; A29-I33 VanDerWaalsContact O-CG1 3.22Å; A29-I33 WeakPolarHBondContact O-CG1 3.24Å; A29-I33 PolarHBondContact O-N 3.15Å
30K85.5Confident85.2Confident133 Ų13384 Ų8458%0.57844%0.443SS*.Hα-helixtrans-70.3-39.4174.6-73.8-179179-177.80111.1L26 S27 I33 A34L26-K30 HydrophobicContact CB-CB 4.31Å; L26-K30 HydrophobicContact CD2-CB 4.34Å; L26-K30 HydrophobicContact CD2-CD 4.22Å; S27-K30 WeakPolarHBondContact O-CA 3.4Å; S27-K30 WeakPolarHBondContact O-CB 3.37Å; S27-K30 PolarHBondContact O-N 3.39Å; S27-K30 WeakPolarHBondContact OG-CG 3.41Å; S27-K30 PolarHBondContact OG-N 3.33Å; K30-I33 PolarHBondContact O-N 3.38Å; K30-A34 WeakPolarHBondContact O-CB 3.41Å; K30-A34 PolarHBondContact O-N 3.38Å
31S88.2Confident84.3Confident11 Ų1183.9 Ų83.98%0.07745%0.447CS..Hα-helixtrans-63.7-43.4176.8-450000112L26 S27 P28 I33 A34 W35L26-S31 WeakPolarHBondContact CB-OG 3.5Å; L26-S31 PolarHBondContact O-OG 3.42Å; S27-S31 PolarHBondContact O-N 3.43Å; S27-S31 PolarHBondContact O-OG 3.35Å; P28-S31 PolarHBondContact O-N 3.32Å; S31-I33 PolarHBondContact O-N 3.4Å; S31-A34 PolarHBondContact O-N 3.29Å; S31-W35 WeakPolarHBondContact O-CB 3.46Å; S31-W35 PolarHBondContact O-N 3.23Å
32D82.1Confident83.6Confident61 Ų6187 Ų8733%0.32646%0.458SS..Hα-helixtrans-63-40.4174.2179.844.6000112P28 R36P28-D32 PolarHBondContact O-N 3.46Å; D32-R36 VanDerWaalsContact O-CG 3.27Å; D32-R36 WeakPolarHBondContact O-CG 3.27Å; D32-R36 PolarHBondContact O-N 2.82Å; D32-R36 IonicContact OD1-CZ 3Å; D32-R36 IonicContact OD1-NE 2.67Å; D32-R36 PolarHBondContact OD1-NE 3.5Å; D32-R36 VanDerWaalsContact OD1-NE 3.08Å; D32-R36 IonicContact OD1-NH2 2.82Å; D32-R36 PolarHBondContact OD1-NH2 3.47Å; D32-R36 IonicContact OD2-CZ 3.65Å; D32-R36 IonicContact OD2-NE 3.98Å; D32-R36 PolarHBondContact OD2-NE 3.48Å; D32-R36 IonicContact OD2-NH1 2.85Å; D32-R36 IonicContact OD2-NH2 3.25Å; D32-R36 PolarHBondContact OD2-NH2 2.99Å
33I81.1Confident82.6Confident118 Ų11885.8 Ų85.861%0.60545%0.453SS*.Hα-helixtrans-64.2-44.6174.3-68.1165000111A29 K30 S31 R36 G37A29-I33 WeakPolarHBondContact O-CD1 3.4Å; A29-I33 VanDerWaalsContact O-CG1 3.22Å; A29-I33 WeakPolarHBondContact O-CG1 3.24Å; A29-I33 PolarHBondContact O-N 3.15Å; K30-I33 PolarHBondContact O-N 3.38Å; S31-I33 PolarHBondContact O-N 3.4Å; I33-R36 PolarHBondContact O-N 3.24Å; I33-G37 PolarHBondContact O-N 3.26Å
34A81.8Confident81.4Confident36 Ų3682.1 Ų82.130%0.29844%0.436SS..Hα-helixtrans-63.7-43.4179.100000111.5F17 K30 S31 G37 F38F17-A34 HydrophobicContact CE1-CB 4.06Å; F17-A34 HydrophobicContact CZ-CB 3.93Å; K30-A34 WeakPolarHBondContact O-CB 3.41Å; K30-A34 PolarHBondContact O-N 3.38Å; S31-A34 PolarHBondContact O-N 3.29Å; A34-G37 PolarHBondContact O-N 3.31Å; A34-F38 WeakPolarHBondContact O-CB 3.42Å; A34-F38 PolarHBondContact O-N 2.94Å
35W85.9Confident80.5Confident11 Ų1179.8 Ų79.84%0.04243%0.429CS..Hα-helixtrans-61.9-44.6177.1177.2-127.7000111.8L13 E14 F17 M18 S31 G37 F38 Q39L13-W35 HydrophobicContact CD2-CH2 4.32Å; E14-W35 HydrophobicContact CB-CH2 3.55Å; E14-W35 HydrophobicContact CB-CZ2 3.36Å; E14-W35 HydrophobicContact CB-CZ3 4.34Å; E14-W35 HydrophobicContact CG-CD2 4.27Å; E14-W35 HydrophobicContact CG-CH2 4.05Å; E14-W35 HydrophobicContact CG-CZ2 3.51Å; E14-W35 PolarHBondContact OE1-NE1 3.05Å; F17-W35 HydrophobicContact CB-CE3 3.74Å; F17-W35 HydrophobicContact CB-CZ3 3.6Å; F17-W35 HydrophobicContact CD1-CB 4.08Å; F17-W35 HydrophobicContact CD1-CD2 4.22Å; F17-W35 AromaticContact CD1-CE3 3.44Å; F17-W35 HydrophobicContact CD1-CE3 3.44Å; F17-W35 VanDerWaalsContact CD1-CE3 3.44Å; F17-W35 HydrophobicContact CD1-CZ3 4.21Å; F17-W35 HydrophobicContact CD2-CE3 4.11Å; F17-W35 HydrophobicContact CD2-CZ3 4.34Å; F17-W35 VanDerWaalsContact CE1-CA 3.43Å; F17-W35 HydrophobicContact CE1-CB 3.82Å; F17-W35 HydrophobicContact CE1-CE3 4.04Å; F17-W35 AromaticContact CG-CE3 3.48Å; F17-W35 HydrophobicContact CG-CE3 3.48Å; F17-W35 VanDerWaalsContact CG-CE3 3.48Å; F17-W35 AromaticContact CG-CZ3 3.8Å; F17-W35 HydrophobicContact CG-CZ3 3.8Å; M18-W35 HydrophobicContact CE-CB 4.12Å; M18-W35 HydrophobicContact CE-CG 4.12Å; S31-W35 WeakPolarHBondContact O-CB 3.46Å; S31-W35 PolarHBondContact O-N 3.23Å; W35-G37 VanDerWaalsContact C-N 3.31Å; W35-G37 PolarHBondContact O-N 2.63Å; W35-F38 AromaticContact CE3-CD1 3.71Å; W35-F38 HydrophobicContact CE3-CD1 3.71Å; W35-F38 HydrophobicContact CE3-CE1 4.4Å; W35-F38 HydrophobicContact CE3-CG 4.44Å; W35-F38 HydrophobicContact CH2-CD1 4.36Å; W35-F38 HydrophobicContact CH2-CE1 4.39Å; W35-F38 AromaticContact CZ3-CD1 3.45Å; W35-F38 HydrophobicContact CZ3-CD1 3.45Å; W35-F38 VanDerWaalsContact CZ3-CD1 3.45Å; W35-F38 AromaticContact CZ3-CE1 3.7Å; W35-F38 HydrophobicContact CZ3-CE1 3.7Å; W35-F38 HydrophobicContact CZ3-CG 4.5Å; W35-F38 PolarHBondContact O-N 3.09Å; W35-Q39 HydrophobicContact CD2-CG 4.07Å; W35-Q39 HydrophobicContact CE3-CG 4.46Å; W35-Q39 HydrophobicContact CH2-CG 4.4Å; W35-Q39 HydrophobicContact CZ2-CG 3.97Å; W35-Q39 VanDerWaalsContact NE1-NE2 3.1Å; W35-Q39 WeakPolarHBondContact O-CB 3.3Å; W35-Q39 WeakPolarHBondContact O-CG 3.14Å; W35-Q39 PolarHBondContact O-N 3.48Å
36R78.8Confident79.6Confident149 Ų14975.3 Ų75.356%0.56241%0.411SS*.Hα-helixtrans-63.2-38.2174.6-70.1176.1-166.2-175.44.4112.6D32 I33 A40D32-R36 VanDerWaalsContact O-CG 3.27Å; D32-R36 WeakPolarHBondContact O-CG 3.27Å; D32-R36 PolarHBondContact O-N 2.82Å; D32-R36 IonicContact OD1-CZ 3Å; D32-R36 IonicContact OD1-NE 2.67Å; D32-R36 PolarHBondContact OD1-NE 3.5Å; D32-R36 VanDerWaalsContact OD1-NE 3.08Å; D32-R36 IonicContact OD1-NH2 2.82Å; D32-R36 PolarHBondContact OD1-NH2 3.47Å; D32-R36 IonicContact OD2-CZ 3.65Å; D32-R36 IonicContact OD2-NE 3.98Å; D32-R36 PolarHBondContact OD2-NE 3.48Å; D32-R36 IonicContact OD2-NH1 2.85Å; D32-R36 IonicContact OD2-NH2 3.25Å; D32-R36 PolarHBondContact OD2-NH2 2.99Å; I33-R36 PolarHBondContact O-N 3.24Å; R36-A40 WeakPolarHBondContact O-CB 3.44Å; R36-A40 PolarHBondContact O-N 3.03Å
37G76.4Confident78.7Confident38 Ų3875.8 Ų75.839%0.39241%0.413SS..Hα-helixtrans-62-47.1172.900000111.8I33 A34 W35 A40 V41I33-G37 PolarHBondContact O-N 3.26Å; A34-G37 PolarHBondContact O-N 3.31Å; W35-G37 VanDerWaalsContact C-N 3.31Å; W35-G37 PolarHBondContact O-N 2.63Å; G37-A40 PolarHBondContact O-N 3.43Å; G37-V41 WeakPolarHBondContact O-CG2 3.22Å; G37-V41 PolarHBondContact O-N 2.78Å
38F81.4Confident78Confident73 Ų7377.1 Ų77.132%0.3241%0.413SS..Hα-helixtrans-61.5-45.1176.4175.1-91.6000112.2L13 F17 A34 W35 A40 V41 R42L13-F38 HydrophobicContact CD2-CE1 3.47Å; L13-F38 VanDerWaalsContact CD2-CE1 3.47Å; L13-F38 HydrophobicContact CD2-CZ 3.84Å; L13-F38 HydrophobicContact CG-CE1 4.41Å; F17-F38 HydrophobicContact CD2-CB 4.1Å; F17-F38 HydrophobicContact CD2-CD1 4.03Å; F17-F38 AromaticContact CD2-CD2 3.86Å; F17-F38 HydrophobicContact CD2-CD2 3.86Å; F17-F38 HydrophobicContact CD2-CE1 4.47Å; F17-F38 HydrophobicContact CD2-CE2 4.3Å; F17-F38 AromaticContact CD2-CG 3.71Å; F17-F38 HydrophobicContact CD2-CG 3.71Å; F17-F38 HydrophobicContact CE2-CB 3.45Å; F17-F38 VanDerWaalsContact CE2-CB 3.45Å; F17-F38 HydrophobicContact CE2-CD1 4.25Å; F17-F38 AromaticContact CE2-CD2 3.65Å; F17-F38 HydrophobicContact CE2-CD2 3.65Å; F17-F38 HydrophobicContact CE2-CE2 4.48Å; F17-F38 AromaticContact CE2-CG 3.5Å; F17-F38 HydrophobicContact CE2-CG 3.5Å; F17-F38 HydrophobicContact CZ-CB 3.76Å; F17-F38 HydrophobicContact CZ-CG 4.28Å; A34-F38 WeakPolarHBondContact O-CB 3.42Å; A34-F38 PolarHBondContact O-N 2.94Å; W35-F38 AromaticContact CE3-CD1 3.71Å; W35-F38 HydrophobicContact CE3-CD1 3.71Å; W35-F38 HydrophobicContact CE3-CE1 4.4Å; W35-F38 HydrophobicContact CE3-CG 4.44Å; W35-F38 HydrophobicContact CH2-CD1 4.36Å; W35-F38 HydrophobicContact CH2-CE1 4.39Å; W35-F38 AromaticContact CZ3-CD1 3.45Å; W35-F38 HydrophobicContact CZ3-CD1 3.45Å; W35-F38 VanDerWaalsContact CZ3-CD1 3.45Å; W35-F38 AromaticContact CZ3-CE1 3.7Å; W35-F38 HydrophobicContact CZ3-CE1 3.7Å; W35-F38 HydrophobicContact CZ3-CG 4.5Å; W35-F38 PolarHBondContact O-N 3.09Å; F38-A40 VanDerWaalsContact C-N 3.32Å; F38-A40 PolarHBondContact O-N 2.76Å; F38-V41 PolarHBondContact O-N 2.99Å; F38-R42 WeakPolarHBondContact O-CB 3.46Å; F38-R42 PolarHBondContact O-N 3.09Å
39Q78.5Confident77.7Confident79 Ų7974.4 Ų74.437%0.36939%0.394SS..Hα-helixtrans-60.6-40.1175.3-75.4-174.4-23.900112.3W35 R43W35-Q39 HydrophobicContact CD2-CG 4.07Å; W35-Q39 HydrophobicContact CE3-CG 4.46Å; W35-Q39 HydrophobicContact CH2-CG 4.4Å; W35-Q39 HydrophobicContact CZ2-CG 3.97Å; W35-Q39 VanDerWaalsContact NE1-NE2 3.1Å; W35-Q39 WeakPolarHBondContact O-CB 3.3Å; W35-Q39 WeakPolarHBondContact O-CG 3.14Å; W35-Q39 PolarHBondContact O-N 3.48Å; Q39-R43 WeakPolarHBondContact O-CB 3.39Å; Q39-R43 PolarHBondContact O-N 3.46Å
40A68.6Low77.3Confident64 Ų6473.7 Ų73.753%0.52939%0.385SS..Hα-helixtrans-64.4-44.4176.200000111.7R36 G37 F38 R43 Q44R36-A40 WeakPolarHBondContact O-CB 3.44Å; R36-A40 PolarHBondContact O-N 3.03Å; G37-A40 PolarHBondContact O-N 3.43Å; F38-A40 VanDerWaalsContact C-N 3.32Å; F38-A40 PolarHBondContact O-N 2.76Å; A40-R43 PolarHBondContact O-N 2.87Å; A40-Q44 PolarHBondContact O-N 2.98Å
41V72.2Confident76.7Confident91 Ų9171.9 Ų71.955%0.55238%0.377SS*.Hα-helixtrans-64.6-46.4175.6174.90000111G37 F38 R43 Q44 C45G37-V41 WeakPolarHBondContact O-CG2 3.22Å; G37-V41 PolarHBondContact O-N 2.78Å; F38-V41 PolarHBondContact O-N 2.99Å; V41-R43 VanDerWaalsContact C-N 3.31Å; V41-R43 PolarHBondContact O-N 3.29Å; V41-Q44 WeakPolarHBondContact O-CB 3.33Å; V41-Q44 PolarHBondContact O-N 3.46Å; V41-Q44 VanDerWaalsContact O-N 3.08Å; V41-C45 PolarHBondContact O-N 2.67Å; V41-C45 PolarHBondContact O-SG 3.38Å; V41-C45 VanDerWaalsContact O-SG 3.34Å
42R77.4Confident76.3Confident69 Ų6972.6 Ų72.626%0.2638%0.38SS..Hα-helixtrans-55.4-46.5175.8179.7178.1177.2-113.82.5111.1F38 Q44 C45 L46F38-R42 WeakPolarHBondContact O-CB 3.46Å; F38-R42 PolarHBondContact O-N 3.09Å; R42-Q44 VanDerWaalsContact C-N 3.32Å; R42-Q44 PolarHBondContact O-N 3.08Å; R42-C45 PolarHBondContact O-N 3Å; R42-L46 HydrophobicContact CG-CD1 4.09Å; R42-L46 HydrophobicContact CG-CG 4.45Å; R42-L46 VanDerWaalsContact O-CG 3.31Å; R42-L46 WeakPolarHBondContact O-CG 3.45Å; R42-L46 PolarHBondContact O-N 3.4Å
43R70Confident76Confident125 Ų12572.9 Ų72.947%0.47238%0.379SS..Hα-helixtrans-61.4-41.4177.5-167.5-178.4-173.578.88.2111.5Q39 A40 V41 L46 I47 P355Q39-R43 WeakPolarHBondContact O-CB 3.39Å; Q39-R43 PolarHBondContact O-N 3.46Å; A40-R43 PolarHBondContact O-N 2.87Å; V41-R43 VanDerWaalsContact C-N 3.31Å; V41-R43 PolarHBondContact O-N 3.29Å; R43-L46 PolarHBondContact O-N 2.77Å; R43-I47 HydrophobicContact CG-CD1 4.25Å; R43-I47 VanDerWaalsContact O-CG1 3.28Å; R43-I47 WeakPolarHBondContact O-CG1 3.41Å; R43-I47 PolarHBondContact O-N 2.91Å; R43-P355 PolarHBondContact NH2-O 3.06Å
44Q67.6Low75.9Confident76 Ų7670.5 Ų70.536%0.35537%0.367SS..Hα-helixtrans-63.7-46.2175.7-173.261.43500111.5A40 V41 R42 L46 I47 E48A40-Q44 PolarHBondContact O-N 2.98Å; V41-Q44 WeakPolarHBondContact O-CB 3.33Å; V41-Q44 PolarHBondContact O-N 3.46Å; V41-Q44 VanDerWaalsContact O-N 3.08Å; R42-Q44 VanDerWaalsContact C-N 3.32Å; R42-Q44 PolarHBondContact O-N 3.08Å; Q44-L46 PolarHBondContact O-N 3.09Å; Q44-I47 PolarHBondContact O-N 3.29Å; Q44-E48 PolarHBondContact NE2-OE1 3.13Å; Q44-E48 WeakPolarHBondContact O-CG 3.31Å; Q44-E48 PolarHBondContact O-N 3.03Å
45C73.8Confident75.9Confident69 Ų6969 Ų6947%0.46636%0.355SS..Hα-helixtrans-58.8-45.4176.1-680000111.4V41 R42 I47 E48 V49V41-C45 PolarHBondContact O-N 2.67Å; V41-C45 PolarHBondContact O-SG 3.38Å; V41-C45 VanDerWaalsContact O-SG 3.34Å; R42-C45 PolarHBondContact O-N 3Å; C45-I47 VanDerWaalsContact C-N 3.32Å; C45-I47 PolarHBondContact O-N 3.23Å; C45-E48 PolarHBondContact O-N 3.18Å; C45-V49 WeakPolarHBondContact O-CB 3.4Å; C45-V49 WeakPolarHBondContact O-CG2 3.28Å; C45-V49 PolarHBondContact O-N 2.75Å
46L74.8Confident75.9Confident88 Ų8868.8 Ų68.846%0.46135%0.354SS..Hα-helixtrans-62.5-37.2177.8-70.9171.5000112.6R42 R43 Q44 S50R42-L46 HydrophobicContact CG-CD1 4.09Å; R42-L46 HydrophobicContact CG-CG 4.45Å; R42-L46 VanDerWaalsContact O-CG 3.31Å; R42-L46 WeakPolarHBondContact O-CG 3.45Å; R42-L46 PolarHBondContact O-N 3.4Å; R43-L46 PolarHBondContact O-N 2.77Å; Q44-L46 PolarHBondContact O-N 3.09Å; L46-S50 VanDerWaalsContact O-CB 3.26Å; L46-S50 WeakPolarHBondContact O-CB 3.37Å; L46-S50 PolarHBondContact O-N 2.73Å
47I72.3Confident75.9Confident68 Ų6862.7 Ų62.735%0.34934%0.336SS..Hα-helixtrans-67.3-46.4175.7-69.9165.3000110.8R43 Q44 C45 S50 K51R43-I47 HydrophobicContact CG-CD1 4.25Å; R43-I47 VanDerWaalsContact O-CG1 3.28Å; R43-I47 WeakPolarHBondContact O-CG1 3.41Å; R43-I47 PolarHBondContact O-N 2.91Å; Q44-I47 PolarHBondContact O-N 3.29Å; C45-I47 VanDerWaalsContact C-N 3.32Å; C45-I47 PolarHBondContact O-N 3.23Å; I47-S50 PolarHBondContact O-N 2.87Å; I47-K51 HydrophobicContact CG2-CD 4.42Å; I47-K51 WeakPolarHBondContact O-CG 3.29Å; I47-K51 PolarHBondContact O-N 3.05Å
48E75.9Confident76.2Confident82 Ų8261.6 Ų61.638%0.38332%0.321SS..Hα-helixtrans-68.4-38.4179.7-65.4-49.9130.900112.1Q44 C45 K51 M52Q44-E48 PolarHBondContact NE2-OE1 3.13Å; Q44-E48 WeakPolarHBondContact O-CG 3.31Å; Q44-E48 PolarHBondContact O-N 3.03Å; C45-E48 PolarHBondContact O-N 3.18Å; E48-K51 PolarHBondContact O-N 3.37Å; E48-K51 IonicContact OE1-NZ 2.75Å; E48-K51 PolarHBondContact OE1-NZ 2.83Å; E48-K51 IonicContact OE2-NZ 2.66Å; E48-M52 WeakPolarHBondContact O-CB 3.34Å; E48-M52 PolarHBondContact O-N 3.08Å
49V75.8Confident76.6Confident57 Ų5758.1 Ų58.135%0.34531%0.306SS..Hα-helixtrans-57.4-57.2169.7169.90000108.7C45 K51 M52 E53C45-V49 WeakPolarHBondContact O-CB 3.4Å; C45-V49 WeakPolarHBondContact O-CG2 3.28Å; C45-V49 PolarHBondContact O-N 2.75Å; V49-K51 VanDerWaalsContact C-N 3.27Å; V49-K51 PolarHBondContact O-N 3.05Å; V49-K51 VanDerWaalsContact O-N 3.16Å; V49-M52 HydrophobicContact CG2-CE 4.5Å; V49-M52 CarbonylContact O-C 3.48Å; V49-M52 WeakPolarHBondContact O-CA 3.25Å; V49-M52 VanDerWaalsContact O-CB 3.31Å; V49-M52 WeakPolarHBondContact O-CB 3.44Å; V49-M52 PolarHBondContact O-N 3.41Å; V49-E53 HydrophobicContact CG1-CG 3.92Å; V49-E53 VanDerWaalsContact O-CG 3.24Å; V49-E53 WeakPolarHBondContact O-CG 3.45Å; V49-E53 PolarHBondContact O-N 2.77Å
50S74.3Confident76.9Confident50 Ų5055.1 Ų55.135%0.3529%0.293SS..Hα-helixtrans-56-37.4-179.2-176.20000113.7L46 I47 E53 N54L46-S50 VanDerWaalsContact O-CB 3.26Å; L46-S50 WeakPolarHBondContact O-CB 3.37Å; L46-S50 PolarHBondContact O-N 2.73Å; I47-S50 PolarHBondContact O-N 2.87Å; S50-E53 PolarHBondContact O-N 3.34Å; S50-N54 WeakPolarHBondContact O-CB 3.03Å; S50-N54 VanDerWaalsContact O-CG 3.25Å; S50-N54 PolarHBondContact O-N 3.1Å; S50-N54 PolarHBondContact O-ND2 2.91Å
51K74.4Confident77.7Confident94 Ų9453.8 Ų53.841%0.40928%0.279SS..Hα-helixtrans-62.6-43.8172.8-75.1174.1-174.7167.70112.1I47 E48 V49 N54 S55I47-K51 HydrophobicContact CG2-CD 4.42Å; I47-K51 WeakPolarHBondContact O-CG 3.29Å; I47-K51 PolarHBondContact O-N 3.05Å; E48-K51 PolarHBondContact O-N 3.37Å; E48-K51 IonicContact OE1-NZ 2.75Å; E48-K51 PolarHBondContact OE1-NZ 2.83Å; E48-K51 IonicContact OE2-NZ 2.66Å; V49-K51 VanDerWaalsContact C-N 3.27Å; V49-K51 PolarHBondContact O-N 3.05Å; V49-K51 VanDerWaalsContact O-N 3.16Å; K51-N54 PolarHBondContact O-N 3.29Å; K51-S55 WeakPolarHBondContact O-CB 3.39Å; K51-S55 PolarHBondContact O-N 2.9Å
52M79.9Confident78.6Confident27 Ų2749.5 Ų49.513%0.13325%0.252CS..Hα-helixtrans-66-40.8176.8-179.7170.144.500111.4E48 V49 S55 F56 L241E48-M52 WeakPolarHBondContact O-CB 3.34Å; E48-M52 PolarHBondContact O-N 3.08Å; V49-M52 HydrophobicContact CG2-CE 4.5Å; V49-M52 CarbonylContact O-C 3.48Å; V49-M52 WeakPolarHBondContact O-CA 3.25Å; V49-M52 VanDerWaalsContact O-CB 3.31Å; V49-M52 WeakPolarHBondContact O-CB 3.44Å; V49-M52 PolarHBondContact O-N 3.41Å; M52-S55 PolarHBondContact O-N 2.83Å; M52-F56 WeakPolarHBondContact O-CB 3.34Å; M52-F56 PolarHBondContact O-N 3.25Å; M52-L241 HydrophobicContact CG-CB 4.46Å; M52-L241 HydrophobicContact CG-CD1 3.97Å; M52-L241 HydrophobicContact CG-CG 3.73Å; M52-L241 HydrophobicContact SD-CD2 4.41Å; M52-L241 HydrophobicContact SD-CG 3.84Å
53E75.9Confident79.3Confident67 Ų6746.4 Ų46.431%0.31324%0.241SC..Hα-helixtrans-60.4-48.5174.3-52.8-168.3142.200111.2V49 S50 F56 A57 Y304V49-E53 HydrophobicContact CG1-CG 3.92Å; V49-E53 VanDerWaalsContact O-CG 3.24Å; V49-E53 WeakPolarHBondContact O-CG 3.45Å; V49-E53 PolarHBondContact O-N 2.77Å; S50-E53 PolarHBondContact O-N 3.34Å; E53-F56 PolarHBondContact O-N 3.36Å; E53-A57 WeakPolarHBondContact O-CB 3.3Å; E53-A57 PolarHBondContact O-N 3.42Å; E53-Y304 VanDerWaalsContact CB-OH 3.23Å; E53-Y304 WeakPolarHBondContact CB-OH 3.34Å; E53-Y304 HydrophobicContact CG-CE2 4.07Å; E53-Y304 WeakPolarHBondContact CG-OH 3.5Å; E53-Y304 PolarHBondContact OE1-OH 3.46Å; E53-Y304 VanDerWaalsContact OE1-OH 3.1Å
54N78.7Confident80.1Confident67 Ų6742.9 Ų42.936%0.35823%0.231SC..Hα-helixtrans-63.5-43.2178-73.5-40.2000111.8S50 K51 F56 A57 V58S50-N54 WeakPolarHBondContact O-CB 3.03Å; S50-N54 VanDerWaalsContact O-CG 3.25Å; S50-N54 PolarHBondContact O-N 3.1Å; S50-N54 PolarHBondContact O-ND2 2.91Å; K51-N54 PolarHBondContact O-N 3.29Å; N54-F56 VanDerWaalsContact C-N 3.34Å; N54-F56 PolarHBondContact O-N 3.45Å; N54-A57 PolarHBondContact O-N 3.18Å; N54-V58 WeakPolarHBondContact O-CG2 3.46Å; N54-V58 PolarHBondContact O-N 2.87Å
55S82.2Confident81.1Confident4 Ų442.9 Ų42.93%0.02823%0.228CC..Hα-helixtrans-59.2-44.3176177.40000111.6K51 M52 V58 S59K51-S55 WeakPolarHBondContact O-CB 3.39Å; K51-S55 PolarHBondContact O-N 2.9Å; M52-S55 PolarHBondContact O-N 2.83Å; S55-V58 PolarHBondContact O-N 3.37Å; S55-S59 WeakPolarHBondContact O-CB 3.19Å; S55-S59 PolarHBondContact O-N 2.73Å; S55-S59 PolarHBondContact O-OG 2.93Å
56F85Confident82.1Confident8 Ų839.6 Ų39.64%0.03521%0.206CC..Hα-helixtrans-70.3-37.7178.5-170.5-99.4000112.6M52 E53 N54 S59 T60 L241 V245 F246 I255M52-F56 WeakPolarHBondContact O-CB 3.34Å; M52-F56 PolarHBondContact O-N 3.25Å; E53-F56 PolarHBondContact O-N 3.36Å; N54-F56 VanDerWaalsContact C-N 3.34Å; N54-F56 PolarHBondContact O-N 3.45Å; F56-S59 PolarHBondContact O-N 3.44Å; F56-T60 PolarHBondContact O-N 3.5Å; F56-T60 PolarHBondContact O-OG1 2.92Å; F56-L241 HydrophobicContact CB-CD1 3.71Å; F56-L241 HydrophobicContact CD1-CD1 4.27Å; F56-L241 HydrophobicContact CD2-CB 3.76Å; F56-L241 HydrophobicContact CD2-CD1 3.73Å; F56-L241 HydrophobicContact CD2-CG 4.4Å; F56-L241 HydrophobicContact CE2-CB 4.3Å; F56-L241 HydrophobicContact CE2-CD1 4.43Å; F56-L241 HydrophobicContact CG-CB 4.48Å; F56-L241 HydrophobicContact CG-CD1 3.64Å; F56-V245 HydrophobicContact CE2-CG1 3.98Å; F56-V245 HydrophobicContact CZ-CG1 4.04Å; F56-F246 HydrophobicContact CD2-CE2 4.48Å; F56-F246 HydrophobicContact CD2-CZ 4.11Å; F56-F246 HydrophobicContact CE1-CE1 4.46Å; F56-F246 HydrophobicContact CE1-CZ 4.18Å; F56-F246 HydrophobicContact CE2-CE1 4.3Å; F56-F246 HydrophobicContact CE2-CE2 4.01Å; F56-F246 AromaticContact CE2-CZ 3.56Å; F56-F246 HydrophobicContact CE2-CZ 3.56Å; F56-F246 AromaticContact CZ-CE1 3.92Å; F56-F246 HydrophobicContact CZ-CE1 3.92Å; F56-F246 HydrophobicContact CZ-CE2 4.44Å; F56-F246 AromaticContact CZ-CZ 3.6Å; F56-F246 HydrophobicContact CZ-CZ 3.6Å; F56-I255 HydrophobicContact CE1-CG2 4.2Å; F56-I255 HydrophobicContact CZ-CG2 4.47Å
57A78.7Confident82.9Confident21 Ų2136.2 Ų36.217%0.17419%0.191CC..Hα-helixtrans-62.9-42.7173.600000112.1E53 N54 S59 T60 V61 A313E53-A57 WeakPolarHBondContact O-CB 3.3Å; E53-A57 PolarHBondContact O-N 3.42Å; N54-A57 PolarHBondContact O-N 3.18Å; A57-S59 VanDerWaalsContact C-N 3.33Å; A57-T60 WeakPolarHBondContact O-CB 3.2Å; A57-T60 PolarHBondContact O-N 2.87Å; A57-V61 PolarHBondContact O-N 3.09Å; A57-A313 HydrophobicContact CB-CB 3.68Å
58V83.3Confident83.7Confident14 Ų1434.9 Ų34.99%0.08518%0.182CC..Hα-helixtrans-62.4-43.2172.9166.70000110.7N54 S55 T60 V61 L62 S125 V128N54-V58 WeakPolarHBondContact O-CG2 3.46Å; N54-V58 PolarHBondContact O-N 2.87Å; S55-V58 PolarHBondContact O-N 3.37Å; V58-T60 VanDerWaalsContact C-N 3.27Å; V58-T60 PolarHBondContact O-N 2.97Å; V58-V61 PolarHBondContact O-N 3.01Å; V58-V61 VanDerWaalsContact O-N 3.14Å; V58-L62 HydrophobicContact CG1-CD1 3.54Å; V58-L62 HydrophobicContact CG1-CG 4.16Å; V58-L62 VanDerWaalsContact O-CG 3.24Å; V58-L62 WeakPolarHBondContact O-CG 3.49Å; V58-L62 PolarHBondContact O-N 3.46Å; V58-S125 WeakPolarHBondContact CB-O 2.82Å; V58-S125 WeakPolarHBondContact CG1-O 3.36Å; V58-V128 HydrophobicContact CB-CG2 4.4Å; V58-V128 HydrophobicContact CG1-CG2 3.98Å; V58-V128 HydrophobicContact CG2-CG2 3.9Å
59S89.2Confident84.4Confident0 Ų031 Ų310%016%0.164CC..Hα-helixtrans-64.3-31.8179.3-55.40000113S55 F56 A57 L62 Y63 R118 E243S55-S59 WeakPolarHBondContact O-CB 3.19Å; S55-S59 PolarHBondContact O-N 2.73Å; S55-S59 PolarHBondContact O-OG 2.93Å; F56-S59 PolarHBondContact O-N 3.44Å; A57-S59 VanDerWaalsContact C-N 3.33Å; S59-L62 PolarHBondContact O-N 3.34Å; S59-Y63 WeakPolarHBondContact O-CB 3.39Å; S59-Y63 PolarHBondContact O-N 3.38Å; S59-R118 PolarHBondContact OG-NH1 2.99Å; S59-R118 PolarHBondContact OG-NH2 2.98Å; S59-E243 WeakPolarHBondContact CB-OE1 3.18Å; S59-E243 PolarHBondContact OG-OE1 3.09Å
60T84.9Confident85.2Confident17 Ų1728.8 Ų28.810%0.10415%0.15CC..Hα-helixtrans-59.1-49.4170.5-64.50000111.9F56 A57 V58 L62 Y63 D64 L256F56-T60 PolarHBondContact O-N 3.5Å; F56-T60 PolarHBondContact O-OG1 2.92Å; A57-T60 WeakPolarHBondContact O-CB 3.2Å; A57-T60 PolarHBondContact O-N 2.87Å; V58-T60 VanDerWaalsContact C-N 3.27Å; V58-T60 PolarHBondContact O-N 2.97Å; T60-L62 VanDerWaalsContact C-N 3.34Å; T60-L62 PolarHBondContact O-N 2.93Å; T60-Y63 PolarHBondContact O-N 2.93Å; T60-D64 PolarHBondContact O-N 2.88Å; T60-D64 VanDerWaalsContact O-N 3.12Å; T60-L256 HydrophobicContact CG2-CD1 3.43Å; T60-L256 VanDerWaalsContact CG2-CD1 3.43Å; T60-L256 HydrophobicContact CG2-CD2 3.75Å; T60-L256 HydrophobicContact CG2-CG 4.2Å
61V85.1Confident86Confident36 Ų3629.9 Ų29.922%0.21816%0.158CC..Hα-helixtrans-65.1-40.4178.5177.50000111.2A57 V58 D64 R65 V128 Y132 F314A57-V61 PolarHBondContact O-N 3.09Å; V58-V61 PolarHBondContact O-N 3.01Å; V58-V61 VanDerWaalsContact O-N 3.14Å; V61-D64 PolarHBondContact O-N 3.23Å; V61-R65 PolarHBondContact O-N 3.04Å; V61-V128 HydrophobicContact CG1-CG1 4.14Å; V61-Y132 WeakPolarHBondContact CG1-OH 3.27Å; V61-F314 HydrophobicContact CG2-CE1 4.37Å; V61-F314 HydrophobicContact CG2-CZ 3.82Å
62L90.9Very high86.6Confident0 Ų030.6 Ų30.60%016%0.161CC..Hα-helixtrans-66.5-39.5178.6-66.8168.9000111.7V58 S59 T60 R65 F66 W111 Y114 V128 G131 Y132V58-L62 HydrophobicContact CG1-CD1 3.54Å; V58-L62 HydrophobicContact CG1-CG 4.16Å; V58-L62 VanDerWaalsContact O-CG 3.24Å; V58-L62 WeakPolarHBondContact O-CG 3.49Å; V58-L62 PolarHBondContact O-N 3.46Å; S59-L62 PolarHBondContact O-N 3.34Å; T60-L62 VanDerWaalsContact C-N 3.34Å; T60-L62 PolarHBondContact O-N 2.93Å; L62-R65 PolarHBondContact O-N 3.12Å; L62-F66 WeakPolarHBondContact O-CB 3.46Å; L62-F66 PolarHBondContact O-N 2.78Å; L62-W111 HydrophobicContact CB-CH2 4.46Å; L62-Y114 WeakPolarHBondContact CD1-OH 3.49Å; L62-V128 HydrophobicContact CD2-CG1 4.42Å; L62-G131 VanDerWaalsContact CD2-C 3.48Å; L62-Y132 HydrophobicContact CD2-CD1 3.56Å; L62-Y132 HydrophobicContact CD2-CE1 3.76Å; L62-Y132 HydrophobicContact CD2-CG 4.4Å
63Y93Very high87Confident4 Ų429.3 Ų29.32%0.01615%0.154CC..Hα-helixtrans-66.5-40.5177.1-173.3-99.5000112.2S59 T60 R65 F66 A67 K107 W111 F246 L247S59-Y63 WeakPolarHBondContact O-CB 3.39Å; S59-Y63 PolarHBondContact O-N 3.38Å; T60-Y63 PolarHBondContact O-N 2.93Å; Y63-R65 VanDerWaalsContact C-N 3.33Å; Y63-R65 PolarHBondContact O-N 3.3Å; Y63-F66 AromaticContact CD2-CD1 3.71Å; Y63-F66 HydrophobicContact CD2-CD1 3.71Å; Y63-F66 HydrophobicContact CD2-CE1 4.31Å; Y63-F66 AromaticContact CE2-CD1 3.6Å; Y63-F66 HydrophobicContact CE2-CD1 3.6Å; Y63-F66 AromaticContact CE2-CE1 3.78Å; Y63-F66 HydrophobicContact CE2-CE1 3.78Å; Y63-F66 CarbonylContact O-C 3.08Å; Y63-F66 WeakPolarHBondContact O-CB 3.49Å; Y63-F66 PolarHBondContact O-N 3.31Å; Y63-A67 HydrophobicContact CE1-CB 4.43Å; Y63-A67 WeakPolarHBondContact O-CB 3.2Å; Y63-A67 PolarHBondContact O-N 3.29Å; Y63-K107 WeakPolarHBondContact OH-CE 3.33Å; Y63-W111 AromaticContact CD2-CD2 3.59Å; Y63-W111 HydrophobicContact CD2-CD2 3.59Å; Y63-W111 AromaticContact CD2-CE2 3.54Å; Y63-W111 AromaticContact CD2-CE3 3.71Å; Y63-W111 HydrophobicContact CD2-CE3 3.71Å; Y63-W111 HydrophobicContact CD2-CG 4.27Å; Y63-W111 AromaticContact CD2-CH2 3.78Å; Y63-W111 HydrophobicContact CD2-CH2 3.78Å; Y63-W111 AromaticContact CD2-CZ2 3.65Å; Y63-W111 HydrophobicContact CD2-CZ2 3.65Å; Y63-W111 AromaticContact CD2-CZ3 3.8Å; Y63-W111 HydrophobicContact CD2-CZ3 3.8Å; Y63-W111 AromaticContact CE2-CD2 3.98Å; Y63-W111 HydrophobicContact CE2-CD2 3.98Å; Y63-W111 HydrophobicContact CE2-CE3 4.31Å; Y63-W111 HydrophobicContact CE2-CG 4.19Å; Y63-W111 HydrophobicContact CG-CH2 4.21Å; Y63-W111 HydrophobicContact CG-CZ2 4.23Å; Y63-W111 HydrophobicContact CG-CZ3 4.47Å; Y63-F246 HydrophobicContact CD1-CB 3.68Å; Y63-F246 HydrophobicContact CD1-CD1 4.45Å; Y63-F246 HydrophobicContact CD1-CG 4.22Å; Y63-F246 HydrophobicContact CD2-CB 3.53Å; Y63-F246 HydrophobicContact CD2-CD2 4.48Å; Y63-F246 HydrophobicContact CD2-CG 4.21Å; Y63-F246 HydrophobicContact CE1-CB 3.78Å; Y63-F246 WeakPolarHBondContact CE1-O 3.37Å; Y63-F246 HydrophobicContact CE2-CB 3.66Å; Y63-F246 HydrophobicContact CG-CB 3.53Å; Y63-F246 HydrophobicContact CG-CD1 4.44Å; Y63-F246 HydrophobicContact CG-CD2 4.36Å; Y63-F246 AromaticContact CG-CG 3.9Å; Y63-F246 HydrophobicContact CG-CG 3.9Å; Y63-F246 PolarHBondContact OH-O 3.36Å; Y63-L247 HydrophobicContact CE2-CD2 4.24Å
64D87.1Confident87.6Confident52 Ų5226.3 Ų26.328%0.27814%0.14SC..Hα-helixtrans-60.2-45.5176.2-17362000111.4T60 V61 F66 A67 F68 R252 L259T60-D64 PolarHBondContact O-N 2.88Å; T60-D64 VanDerWaalsContact O-N 3.12Å; V61-D64 PolarHBondContact O-N 3.23Å; D64-F66 PolarHBondContact O-N 3.34Å; D64-A67 PolarHBondContact O-N 2.93Å; D64-F68 PolarHBondContact O-N 3.41Å; D64-R252 IonicContact OD1-NH2 3.76Å; D64-R252 PolarHBondContact OD1-NH2 3.25Å; D64-L259 HydrophobicContact CB-CD2 4.14Å; D64-L259 WeakPolarHBondContact OD1-CD2 3.24Å
65R88.9Confident87.7Confident76 Ų7626.3 Ų26.329%0.28714%0.143SC..Hα-helixtrans-63.7-40.3173.6-167.161.252.2157.5-7112.3V61 L62 Y63 F68 I69 Y132 L135 Y175V61-R65 PolarHBondContact O-N 3.04Å; L62-R65 PolarHBondContact O-N 3.12Å; Y63-R65 VanDerWaalsContact C-N 3.33Å; Y63-R65 PolarHBondContact O-N 3.3Å; R65-F68 PolarHBondContact O-N 2.69Å; R65-I69 HydrophobicContact CG-CD1 4.06Å; R65-I69 WeakPolarHBondContact O-CG1 3.21Å; R65-I69 PolarHBondContact O-N 3.25Å; R65-Y132 HydrophobicContact CB-CD1 4.26Å; R65-Y132 HydrophobicContact CB-CE1 3.64Å; R65-Y132 HydrophobicContact CG-CD1 3.99Å; R65-Y132 HydrophobicContact CG-CE1 3.67Å; R65-L135 HydrophobicContact CB-CD2 4.19Å; R65-L135 HydrophobicContact CG-CD2 3.98Å; R65-Y175 PolarHBondContact NH1-O 2.47Å
66F95Very high86.6Confident0 Ų027.6 Ų27.60%016%0.157CC..Hα-helixtrans-58.3-51174.3163.7-102.4000111L62 Y63 D64 F68 I69 F70 K107 C110 W111 L135 M138 F139L62-F66 WeakPolarHBondContact O-CB 3.46Å; L62-F66 PolarHBondContact O-N 2.78Å; Y63-F66 AromaticContact CD2-CD1 3.71Å; Y63-F66 HydrophobicContact CD2-CD1 3.71Å; Y63-F66 HydrophobicContact CD2-CE1 4.31Å; Y63-F66 AromaticContact CE2-CD1 3.6Å; Y63-F66 HydrophobicContact CE2-CD1 3.6Å; Y63-F66 AromaticContact CE2-CE1 3.78Å; Y63-F66 HydrophobicContact CE2-CE1 3.78Å; Y63-F66 CarbonylContact O-C 3.08Å; Y63-F66 WeakPolarHBondContact O-CB 3.49Å; Y63-F66 PolarHBondContact O-N 3.31Å; D64-F66 PolarHBondContact O-N 3.34Å; F66-F68 VanDerWaalsContact C-N 3.31Å; F66-F68 PolarHBondContact O-N 3.33Å; F66-I69 PolarHBondContact O-N 3.16Å; F66-F70 AromaticContact CE2-CD2 3.99Å; F66-F70 HydrophobicContact CE2-CD2 3.99Å; F66-F70 AromaticContact CZ-CD2 3.84Å; F66-F70 HydrophobicContact CZ-CD2 3.84Å; F66-F70 HydrophobicContact CZ-CE2 4.47Å; F66-F70 HydrophobicContact CZ-CG 4.41Å; F66-F70 WeakPolarHBondContact O-CB 3.21Å; F66-F70 PolarHBondContact O-N 3.35Å; F66-K107 HydrophobicContact CE1-CG 3.83Å; F66-K107 HydrophobicContact CZ-CG 3.89Å; F66-C110 HydrophobicContact CE2-CB 3.84Å; F66-C110 HydrophobicContact CZ-CB 4.05Å; F66-W111 HydrophobicContact CB-CE3 4.1Å; F66-W111 HydrophobicContact CB-CZ3 3.85Å; F66-W111 HydrophobicContact CD1-CD2 4.41Å; F66-W111 AromaticContact CD1-CE3 3.7Å; F66-W111 HydrophobicContact CD1-CE3 3.7Å; F66-W111 HydrophobicContact CD1-CZ3 4.23Å; F66-W111 HydrophobicContact CD2-CE3 4.15Å; F66-W111 HydrophobicContact CE1-CB 4.07Å; F66-W111 HydrophobicContact CE1-CE3 4.12Å; F66-W111 AromaticContact CG-CE3 3.7Å; F66-W111 HydrophobicContact CG-CE3 3.7Å; F66-W111 HydrophobicContact CG-CZ3 4Å; F66-W111 HydrophobicContact CZ-CB 4.01Å; F66-L135 HydrophobicContact CB-CD1 3.74Å; F66-L135 HydrophobicContact CB-CD2 4.33Å; F66-L135 HydrophobicContact CD2-CD1 3.79Å; F66-L135 HydrophobicContact CG-CD1 4.22Å; F66-M138 HydrophobicContact CD2-CE 3.75Å; F66-M138 HydrophobicContact CE2-CE 3.67Å; F66-F139 AromaticContact CD2-CE2 3.98Å; F66-F139 HydrophobicContact CD2-CE2 3.98Å; F66-F139 AromaticContact CD2-CZ 3.63Å; F66-F139 HydrophobicContact CD2-CZ 3.63Å; F66-F139 AromaticContact CE2-CZ 3.96Å; F66-F139 HydrophobicContact CE2-CZ 3.96Å
67A91Very high84.7Confident17 Ų1731 Ų3114%0.1419%0.194CC..Hα-helixtrans-61.3-40.4-179.500000111.8Y63 D64 F70 S71Y63-A67 HydrophobicContact CE1-CB 4.43Å; Y63-A67 WeakPolarHBondContact O-CB 3.2Å; Y63-A67 PolarHBondContact O-N 3.29Å; D64-A67 PolarHBondContact O-N 2.93Å; A67-F70 PolarHBondContact O-N 3.14Å; A67-S71 PolarHBondContact O-N 3.17Å; A67-S71 PolarHBondContact O-OG 3.39Å
68F88.5Confident82.8Confident40 Ų4038.5 Ų38.518%0.17523%0.225CC..Hα-helixtrans-62.7-48.5174.4175.6-94.2000112.6D64 R65 F66 F70 S71 K72 Y175 Y263D64-F68 PolarHBondContact O-N 3.41Å; R65-F68 PolarHBondContact O-N 2.69Å; F66-F68 VanDerWaalsContact C-N 3.31Å; F66-F68 PolarHBondContact O-N 3.33Å; F68-F70 VanDerWaalsContact C-N 3.32Å; F68-S71 PolarHBondContact O-OG 3.06Å; F68-S71 VanDerWaalsContact O-OG 3.06Å; F68-K72 HydrophobicContact CE1-CG 4.29Å; F68-K72 HydrophobicContact CZ-CG 4.22Å; F68-K72 VanDerWaalsContact O-CG 3.31Å; F68-K72 WeakPolarHBondContact O-CG 3.37Å; F68-K72 PolarHBondContact O-N 3.1Å; F68-Y175 HydrophobicContact CE1-CD1 4Å; F68-Y175 HydrophobicContact CE1-CE1 4.36Å; F68-Y263 HydrophobicContact CD2-CE1 4.44Å
69I90.6Very high80.6Confident0 Ų047.4 Ų47.40%026%0.263CS..Hα-helixtrans-66.9-39.2178.6-63.6171.4000110.1R65 F66 S71 K72 V73 L135 L136 F139 F168 F172R65-I69 HydrophobicContact CG-CD1 4.06Å; R65-I69 WeakPolarHBondContact O-CG1 3.21Å; R65-I69 PolarHBondContact O-N 3.25Å; F66-I69 PolarHBondContact O-N 3.16Å; I69-S71 PolarHBondContact O-N 2.95Å; I69-K72 PolarHBondContact O-N 3.04Å; I69-V73 HydrophobicContact CG2-CG2 3.87Å; I69-V73 WeakPolarHBondContact O-CB 3.38Å; I69-V73 VanDerWaalsContact O-CG2 3.26Å; I69-V73 WeakPolarHBondContact O-CG2 3.08Å; I69-V73 PolarHBondContact O-N 2.81Å; I69-L135 HydrophobicContact CD1-CD2 3.92Å; I69-L136 HydrophobicContact CD1-CD2 4.35Å; I69-F139 HydrophobicContact CB-CD2 4.3Å; I69-F139 HydrophobicContact CB-CE1 4.47Å; I69-F139 HydrophobicContact CB-CE2 3.62Å; I69-F139 HydrophobicContact CB-CZ 3.73Å; I69-F139 HydrophobicContact CD1-CE2 4.26Å; I69-F139 HydrophobicContact CG2-CD1 4.1Å; I69-F139 HydrophobicContact CG2-CD2 3.61Å; I69-F139 HydrophobicContact CG2-CE1 3.9Å; I69-F139 HydrophobicContact CG2-CE2 3.41Å; I69-F139 VanDerWaalsContact CG2-CE2 3.41Å; I69-F139 HydrophobicContact CG2-CG 3.98Å; I69-F139 HydrophobicContact CG2-CZ 3.57Å; I69-F168 HydrophobicContact CG2-CZ 4.43Å; I69-F172 HydrophobicContact CG1-CD1 4.42Å; I69-F172 HydrophobicContact CG2-CD1 4.05Å; I69-F172 HydrophobicContact CG2-CE1 4Å
70F93.6Very high78Confident10 Ų1056.4 Ų56.44%0.04430%0.302CS..Hα-helixtrans-60.4-46.7179.5-169.8-83.2000112F66 A67 F68 K72 V73 F74 L103 L106 K107 F139F66-F70 AromaticContact CE2-CD2 3.99Å; F66-F70 HydrophobicContact CE2-CD2 3.99Å; F66-F70 AromaticContact CZ-CD2 3.84Å; F66-F70 HydrophobicContact CZ-CD2 3.84Å; F66-F70 HydrophobicContact CZ-CE2 4.47Å; F66-F70 HydrophobicContact CZ-CG 4.41Å; F66-F70 WeakPolarHBondContact O-CB 3.21Å; F66-F70 PolarHBondContact O-N 3.35Å; A67-F70 PolarHBondContact O-N 3.14Å; F68-F70 VanDerWaalsContact C-N 3.32Å; F70-K72 VanDerWaalsContact C-N 3.28Å; F70-K72 PolarHBondContact O-N 3.47Å; F70-V73 PolarHBondContact O-N 3.2Å; F70-F74 HydrophobicContact CD1-CD2 4.02Å; F70-F74 AromaticContact CD2-CD2 3.46Å; F70-F74 HydrophobicContact CD2-CD2 3.46Å; F70-F74 VanDerWaalsContact CD2-CD2 3.46Å; F70-F74 AromaticContact CD2-CE2 3.53Å; F70-F74 HydrophobicContact CD2-CE2 3.53Å; F70-F74 HydrophobicContact CE1-CB 4.42Å; F70-F74 HydrophobicContact CE1-CD2 4Å; F70-F74 AromaticContact CE2-CD2 3.43Å; F70-F74 HydrophobicContact CE2-CD2 3.43Å; F70-F74 VanDerWaalsContact CE2-CD2 3.43Å; F70-F74 AromaticContact CE2-CE2 3.56Å; F70-F74 HydrophobicContact CE2-CE2 3.56Å; F70-F74 HydrophobicContact CE2-CG 4.45Å; F70-F74 AromaticContact CG-CD2 3.75Å; F70-F74 HydrophobicContact CG-CD2 3.75Å; F70-F74 HydrophobicContact CG-CE2 4.21Å; F70-F74 AromaticContact CZ-CD2 3.71Å; F70-F74 HydrophobicContact CZ-CD2 3.71Å; F70-F74 HydrophobicContact CZ-CE2 4.27Å; F70-F74 HydrophobicContact CZ-CG 4.38Å; F70-F74 WeakPolarHBondContact O-CD2 3.5Å; F70-F74 PolarHBondContact O-N 3.4Å; F70-L103 HydrophobicContact CE1-CD1 3.54Å; F70-L103 HydrophobicContact CE1-CD2 4.32Å; F70-L103 HydrophobicContact CE1-CG 3.76Å; F70-L103 HydrophobicContact CZ-CD1 3.62Å; F70-L103 HydrophobicContact CZ-CG 4.12Å; F70-L106 HydrophobicContact CE2-CG 4.4Å; F70-L106 HydrophobicContact CZ-CG 4.41Å; F70-K107 HydrophobicContact CD1-CD 4.35Å; F70-K107 HydrophobicContact CD1-CG 4.29Å; F70-K107 HydrophobicContact CD2-CG 4.29Å; F70-K107 HydrophobicContact CE1-CB 3.91Å; F70-K107 HydrophobicContact CE1-CD 4.22Å; F70-K107 HydrophobicContact CE1-CG 4.07Å; F70-K107 HydrophobicContact CE2-CB 3.83Å; F70-K107 HydrophobicContact CE2-CG 4.09Å; F70-K107 HydrophobicContact CG-CG 4.41Å; F70-K107 HydrophobicContact CZ-CB 3.48Å; F70-K107 VanDerWaalsContact CZ-CB 3.48Å; F70-K107 HydrophobicContact CZ-CG 3.97Å; F70-F139 HydrophobicContact CB-CE1 4.19Å; F70-F139 HydrophobicContact CB-CZ 4.09Å; F70-F139 HydrophobicContact CD2-CE1 4.17Å
71S89.5Confident75.5Confident73 Ų7365.1 Ų65.151%0.5134%0.339SS..Hα-helixtrans-68.7-24.5177.667.10000113.6A67 F68 I69A67-S71 PolarHBondContact O-N 3.17Å; A67-S71 PolarHBondContact O-OG 3.39Å; F68-S71 PolarHBondContact O-OG 3.06Å; F68-S71 VanDerWaalsContact O-OG 3.06Å; I69-S71 PolarHBondContact O-N 2.95Å
72K86.8Confident72.9Confident110 Ų11074.5 Ų74.548%0.47837%0.37SS..Hα-helixtrans-79.5-34.9173.5-70.8-65.6-176.6-170.90113.4F68 I69 F70 I159F68-K72 HydrophobicContact CE1-CG 4.29Å; F68-K72 HydrophobicContact CZ-CG 4.22Å; F68-K72 VanDerWaalsContact O-CG 3.31Å; F68-K72 WeakPolarHBondContact O-CG 3.37Å; F68-K72 PolarHBondContact O-N 3.1Å; I69-K72 PolarHBondContact O-N 3.04Å; F70-K72 VanDerWaalsContact C-N 3.28Å; F70-K72 PolarHBondContact O-N 3.47Å; K72-I159 VanDerWaalsContact O-CG1 3.29Å; K72-I159 WeakPolarHBondContact O-CG1 3.35Å
73V88.5Confident70.1Confident0 Ų080.6 Ų80.60%041%0.408CS..Hα-helixtrans-86.5-36.5-174.3172.20000112.1I69 F70 I143 L155 D156 F168 F172I69-V73 HydrophobicContact CG2-CG2 3.87Å; I69-V73 WeakPolarHBondContact O-CB 3.38Å; I69-V73 VanDerWaalsContact O-CG2 3.26Å; I69-V73 WeakPolarHBondContact O-CG2 3.08Å; I69-V73 PolarHBondContact O-N 2.81Å; F70-V73 PolarHBondContact O-N 3.2Å; V73-I143 HydrophobicContact CG1-CD1 3.73Å; V73-I143 HydrophobicContact CG1-CG1 3.8Å; V73-I143 HydrophobicContact CG2-CD1 4.49Å; V73-L155 HydrophobicContact CG1-CD2 4.18Å; V73-D156 PolarHBondContact O-N 3.27Å; V73-F168 HydrophobicContact CG2-CE2 4.08Å; V73-F172 HydrophobicContact CG2-CE1 4.16Å; V73-F172 HydrophobicContact CG2-CZ 3.86Å
74F90.2Very high67.1Low3 Ų386.6 Ų86.61%0.01345%0.45CS..BIsolated β-bridgetrans-112.2137.4-173.6-55.3-64.5000111.9F70 G76 L103 L106 F139 I142 L146 M154 L155F70-F74 HydrophobicContact CD1-CD2 4.02Å; F70-F74 AromaticContact CD2-CD2 3.46Å; F70-F74 HydrophobicContact CD2-CD2 3.46Å; F70-F74 VanDerWaalsContact CD2-CD2 3.46Å; F70-F74 AromaticContact CD2-CE2 3.53Å; F70-F74 HydrophobicContact CD2-CE2 3.53Å; F70-F74 HydrophobicContact CE1-CB 4.42Å; F70-F74 HydrophobicContact CE1-CD2 4Å; F70-F74 AromaticContact CE2-CD2 3.43Å; F70-F74 HydrophobicContact CE2-CD2 3.43Å; F70-F74 VanDerWaalsContact CE2-CD2 3.43Å; F70-F74 AromaticContact CE2-CE2 3.56Å; F70-F74 HydrophobicContact CE2-CE2 3.56Å; F70-F74 HydrophobicContact CE2-CG 4.45Å; F70-F74 AromaticContact CG-CD2 3.75Å; F70-F74 HydrophobicContact CG-CD2 3.75Å; F70-F74 HydrophobicContact CG-CE2 4.21Å; F70-F74 AromaticContact CZ-CD2 3.71Å; F70-F74 HydrophobicContact CZ-CD2 3.71Å; F70-F74 HydrophobicContact CZ-CE2 4.27Å; F70-F74 HydrophobicContact CZ-CG 4.38Å; F70-F74 WeakPolarHBondContact O-CD2 3.5Å; F70-F74 PolarHBondContact O-N 3.4Å; F74-G76 PolarHBondContact O-N 2.97Å; F74-G76 VanDerWaalsContact O-N 3.09Å; F74-L103 HydrophobicContact CB-CD1 3.75Å; F74-L103 HydrophobicContact CG-CD1 4.45Å; F74-L106 HydrophobicContact CD1-CD2 4.25Å; F74-L106 HydrophobicContact CE1-CD2 4.33Å; F74-L106 HydrophobicContact CG-CD2 4.48Å; F74-F139 HydrophobicContact CE2-CD1 4.09Å; F74-F139 AromaticContact CE2-CE1 3.84Å; F74-F139 HydrophobicContact CE2-CE1 3.84Å; F74-F139 HydrophobicContact CZ-CD1 4.4Å; F74-I142 HydrophobicContact CE1-CG2 4.29Å; F74-I142 HydrophobicContact CZ-CG2 3.7Å; F74-L146 HydrophobicContact CD1-CD1 4.02Å; F74-L146 HydrophobicContact CE1-CD1 3.37Å; F74-L146 HydrophobicContact CZ-CD1 4.24Å; F74-M154 WeakPolarHBondContact CA-O 3Å; F74-L155 HydrophobicContact CD1-CD2 3.96Å; F74-L155 HydrophobicContact CE1-CD2 3.63Å
75V79.9Confident64.6Low68 Ų6887.2 Ų87.241%0.41247%0.469SS..  trans-73.4105.4178.1-178.50000108.7M154 D156V75-M154 PolarHBondContact N-O 3.39Å; V75-D156 VanDerWaalsContact CG2-CA 3.49Å; V75-D156 HydrophobicContact CG2-CB 4.01Å
76G59.3Low61.9Low31 Ų3195.3 Ų95.332%0.3250%0.499SS..  trans-51.7137.8155.500000108.3F74 E78F74-G76 PolarHBondContact O-N 2.97Å; F74-G76 VanDerWaalsContact O-N 3.09Å; G76-E78 PolarHBondContact O-N 3.45Å
77G45Very low59Low80 Ų80104.8 Ų104.883%0.82554%0.541SS*.  trans-64.164.1170.900000111K79G77-K79 PolarHBondContact O-N 2.99Å; G77-K79 VanDerWaalsContact O-N 3.12Å
78E39Very low56.2Low177 Ų177116.4 Ų116.483%0.82758%0.581SS**  trans-66.1117.3174.7-77.4-160.7161.700106.8G76 K80G76-E78 PolarHBondContact O-N 3.45Å; E78-K80 PolarHBondContact O-N 3.4Å
79K36.6Very low53.7Low202 Ų202119 Ų11988%0.87861%0.61SS**  trans-49.880.6168.1-61.9169.6-177.6167.50108.7G77 K81G77-K79 PolarHBondContact O-N 2.99Å; G77-K79 VanDerWaalsContact O-N 3.12Å; K79-K81 VanDerWaalsContact C-N 3.32Å; K79-K81 PolarHBondContact O-N 2.68Å
80K34.8Very low50.8Low188 Ų188128.8 Ų128.882%0.81765%0.653SS**  trans-55.9106.2162.7-80.9-173.2179.4175.60104.8E78 R82E78-K80 PolarHBondContact O-N 3.4Å; K80-R82 VanDerWaalsContact C-N 3.28Å; K80-R82 PolarHBondContact O-N 3.03Å
81K32.1Very low47.7Very low200 Ų200138 Ų13887%0.8769%0.693SS**  trans-3997170-74.6174.4175.4172.20107K79 T83K79-K81 VanDerWaalsContact C-N 3.32Å; K79-K81 PolarHBondContact O-N 2.68Å; K81-T83 PolarHBondContact O-N 2.87Å
82R31.3Very low44.9Very low233 Ų233141.5 Ų141.588%0.87970%0.704SS**  trans-71.994.1175.1-71.6-174.879.9134.91.1104.6K80 S84K80-R82 VanDerWaalsContact C-N 3.28Å; K80-R82 PolarHBondContact O-N 3.03Å; R82-S84 PolarHBondContact O-N 2.86Å; R82-S84 VanDerWaalsContact O-N 3.12Å
83T31.5Very low41.9Very low129 Ų129147.1 Ų147.179%0.79172%0.722SS**  trans-38.6119.5154.239.10000107.7K81 G85K81-T83 PolarHBondContact O-N 2.87Å; T83-G85 PolarHBondContact O-N 2.97Å
84S30.6Very low39.3Very low129 Ų129152.4 Ų152.490%0.90275%0.754SS**  trans-32.3109.5169.5169.10000110.9R82R82-S84 PolarHBondContact O-N 2.86Å; R82-S84 VanDerWaalsContact O-N 3.12Å
85G35Very low36.4Very low66 Ų66160.5 Ų160.568%0.6879%0.792SS**  trans-153.962.7-17400000110.2T83 K87T83-G85 PolarHBondContact O-N 2.97Å; G85-K87 PolarHBondContact O-N 3.23Å
86R30.7Very low34.1Very low245 Ų245162.9 Ų162.993%0.92581%0.812SS**  trans-59.497-179.5-164.6-178.3-163.7171.74.1110.8
87K35.3Very low33Very low200 Ų200164.3 Ų164.387%0.8783%0.826SS**  trans-137109.7157.6-73-167.6-179.9175.80110.7G85 A89G85-K87 PolarHBondContact O-N 3.23Å; K87-A89 PolarHBondContact O-N 3.01Å
88R31.4Very low32.9Very low260 Ų260166.7 Ų166.798%0.98182%0.82SS**  trans-57.7108.2168-80.2172.3162.7170.4-6.8108.6
89A35.2Very low33.5Very low95 Ų95160.9 Ų160.979%0.78581%0.808SS**  trans-114.3132.9160.800000108.1K87 K91K87-A89 PolarHBondContact O-N 3.01Å; A89-K91 PolarHBondContact O-N 2.64Å
90K30Very low34.7Very low206 Ų206156.3 Ų156.390%0.89679%0.793SS**  trans-50124.2-172.2-79.8167.6170.5172.20111.8I92K90-I92 PolarHBondContact O-N 2.69Å
91K28.6Very low36.8Very low204 Ų204148.8 Ų148.889%0.88776%0.76SS**  trans-66.791.7171.2-162.3176.8-172-179.60108.1A89 R93A89-K91 PolarHBondContact O-N 2.64Å; K91-R93 PolarHBondContact O-N 3.45Å
92I30.3Very low39.3Very low145 Ų145142.8 Ų142.874%0.74474%0.737SS**  trans-64.1116.2156.5-65.7175000104.5K90 V94K90-I92 PolarHBondContact O-N 2.69Å; I92-V94 HydrophobicContact CG2-CG2 4.33Å; I92-V94 PolarHBondContact O-N 3.37Å
93R25.5Very low42Very low228 Ų228133.7 Ų133.786%0.8671%0.706SS**  trans-69.980.7175.7-174.3178.4-175.8157.4-0.1106.9K91 E95K91-R93 PolarHBondContact O-N 3.45Å; R93-E95 PolarHBondContact O-N 2.67Å
94V33.6Very low44.8Very low112 Ų112132.8 Ų132.868%0.67970%0.697SS**  trans-69.4114.2156.6-178.60000104.3I92 S96I92-V94 HydrophobicContact CG2-CG2 4.33Å; I92-V94 PolarHBondContact O-N 3.37Å; V94-S96 PolarHBondContact O-N 2.93Å; V94-S96 PolarHBondContact O-OG 2.88Å
95E28Very low47.7Very low173 Ų173127.4 Ų127.481%0.80866%0.659SS**  trans-47.3106.6172-69.8170.8160.100107.7R93 G97R93-E95 PolarHBondContact O-N 2.67Å; E95-G97 PolarHBondContact O-N 3.18Å
96S32.7Very low50.5Low118 Ų118124.3 Ų124.383%0.82563%0.627SS**  trans-76.476.5177.4-55.90000107.3V94V94-S96 PolarHBondContact O-N 2.93Å; V94-S96 PolarHBondContact O-OG 2.88Å
97G36.9Very low53.5Low60 Ų60114.9 Ų114.962%0.61959%0.592SS**  trans-80.18.816100000112.5E95 G99E95-G97 PolarHBondContact O-N 3.18Å; G97-G99 PolarHBondContact O-N 2.83Å
98N41Very low56.4Low130 Ų130106.9 Ų106.970%0.69556%0.562SS**THydrogen-bonded Turntrans-75.832.7-174.4-109.426.5000114.4
99G52.7Low59.5Low55 Ų5594.5 Ų94.557%0.56752%0.515SS*.THydrogen-bonded Turntrans-74.7-33.8-176.300000114.9G97G97-G99 PolarHBondContact O-N 2.83Å
100D61.7Low62.4Low107 Ų10790 Ų9057%0.57248%0.478SS*.SBendtrans-93.5-20.8-161-63.3-7.7000114.1S105D100-S105 PolarHBondContact O-OG 3.01Å
101F77.9Confident65.6Low30 Ų3080.2 Ų80.213%0.13244%0.435CS..  trans-109.7102.9-177.8-168.3-105.9000111.2L106 L146 R151 M154 F220F101-L106 HydrophobicContact CE2-CB 4.49Å; F101-L106 HydrophobicContact CE2-CD1 4.36Å; F101-L106 HydrophobicContact CZ-CD1 4.33Å; F101-L146 HydrophobicContact CZ-CD2 4.34Å; F101-R151 HydrophobicContact CD1-CG 4.24Å; F101-R151 HydrophobicContact CE1-CB 4.1Å; F101-R151 HydrophobicContact CE1-CG 3.84Å; F101-R151 VanDerWaalsContact CE2-NH1 3.26Å; F101-R151 VanDerWaalsContact CG-NH1 3.29Å; F101-M154 HydrophobicContact CD1-SD 3.99Å; F101-M154 HydrophobicContact CE1-CE 4.36Å; F101-M154 HydrophobicContact CE1-SD 3.23Å; F101-M154 WeakPolarHBondContact CE1-SD 3.33Å; F101-M154 HydrophobicContact CZ-SD 3.95Å; F101-F220 AromaticContact CD2-CD1 3.5Å; F101-F220 HydrophobicContact CD2-CD1 3.5Å; F101-F220 VanDerWaalsContact CD2-CD1 3.5Å; F101-F220 AromaticContact CD2-CD2 3.86Å; F101-F220 HydrophobicContact CD2-CD2 3.86Å; F101-F220 AromaticContact CD2-CE1 3.49Å; F101-F220 HydrophobicContact CD2-CE1 3.49Å; F101-F220 VanDerWaalsContact CD2-CE1 3.49Å; F101-F220 AromaticContact CD2-CE2 3.86Å; F101-F220 HydrophobicContact CD2-CE2 3.86Å; F101-F220 AromaticContact CD2-CG 3.67Å; F101-F220 HydrophobicContact CD2-CG 3.67Å; F101-F220 AromaticContact CD2-CZ 3.66Å; F101-F220 HydrophobicContact CD2-CZ 3.66Å; F101-F220 HydrophobicContact CE2-CD1 4.17Å; F101-F220 AromaticContact CE2-CD2 3.65Å; F101-F220 HydrophobicContact CE2-CD2 3.65Å; F101-F220 HydrophobicContact CE2-CE1 4.09Å; F101-F220 AromaticContact CE2-CE2 3.56Å; F101-F220 HydrophobicContact CE2-CE2 3.56Å; F101-F220 AromaticContact CE2-CG 3.94Å; F101-F220 HydrophobicContact CE2-CG 3.94Å; F101-F220 AromaticContact CE2-CZ 3.78Å; F101-F220 HydrophobicContact CE2-CZ 3.78Å; F101-F220 HydrophobicContact CG-CD1 4.5Å
102N85.3Confident68.8Low73 Ų7370.8 Ų70.839%0.3939%0.394SS..  trans-133.8174.6177.464.136.4000109.5D104 S105 L106N102-D104 PolarHBondContact O-N 3.36Å; N102-D104 WeakPolarHBondContact OD1-CB 3.43Å; N102-D104 PolarHBondContact OD1-N 3.11Å; N102-D104 VanDerWaalsContact OD1-N 3.11Å; N102-S105 PolarHBondContact N-OG 3.1Å; N102-S105 PolarHBondContact O-N 3.11Å; N102-S105 PolarHBondContact O-OG 2.94Å; N102-S105 WeakPolarHBondContact OD1-CB 3.48Å; N102-S105 PolarHBondContact OD1-N 3.21Å; N102-S105 PolarHBondContact OD1-OG 3.49Å; N102-L106 PolarHBondContact O-N 3.04Å
103L88.4Confident72Confident42 Ų4263.9 Ų63.922%0.2236%0.359CS..Hα-helixtrans-64.9-30.4-176.9-170.864.1000112.2F70 F74 L106 K107 M154F70-L103 HydrophobicContact CE1-CD1 3.54Å; F70-L103 HydrophobicContact CE1-CD2 4.32Å; F70-L103 HydrophobicContact CE1-CG 3.76Å; F70-L103 HydrophobicContact CZ-CD1 3.62Å; F70-L103 HydrophobicContact CZ-CG 4.12Å; F74-L103 HydrophobicContact CB-CD1 3.75Å; F74-L103 HydrophobicContact CG-CD1 4.45Å; L103-L106 HydrophobicContact CD1-CD2 4.45Å; L103-K107 VanDerWaalsContact O-CB 3.3Å; L103-K107 WeakPolarHBondContact O-CB 3.49Å; L103-K107 PolarHBondContact O-N 3.33Å; L103-M154 HydrophobicContact CB-CE 4.31Å; L103-M154 HydrophobicContact CD1-CE 3.79Å
104D89.2Confident75.4Confident111 Ų11153 Ų5359%0.59432%0.318SS*.Hα-helixtrans-73.5-38.6178.6-56.6-50000112.1N102 K107 S108N102-D104 PolarHBondContact O-N 3.36Å; N102-D104 WeakPolarHBondContact OD1-CB 3.43Å; N102-D104 PolarHBondContact OD1-N 3.11Å; N102-D104 VanDerWaalsContact OD1-N 3.11Å; D104-K107 PolarHBondContact O-N 3.38Å; D104-S108 WeakPolarHBondContact O-CB 3.38Å; D104-S108 PolarHBondContact O-N 3.05Å; D104-S108 PolarHBondContact O-OG 2.82Å
105S92.2Very high78.3Confident16 Ų1647.7 Ų47.711%0.11229%0.286CS..Hα-helixtrans-70.9-37.1175.670.90000110.7D100 N102 S108 F109D100-S105 PolarHBondContact O-OG 3.01Å; N102-S105 PolarHBondContact N-OG 3.1Å; N102-S105 PolarHBondContact O-N 3.11Å; N102-S105 PolarHBondContact O-OG 2.94Å; N102-S105 WeakPolarHBondContact OD1-CB 3.48Å; N102-S105 PolarHBondContact OD1-N 3.21Å; N102-S105 PolarHBondContact OD1-OG 3.49Å; S105-S108 PolarHBondContact O-N 3.46Å; S105-F109 WeakPolarHBondContact O-CB 3.13Å; S105-F109 PolarHBondContact O-N 2.79Å
106L93.6Very high81.4Confident0 Ų039.6 Ų39.60%025%0.248CC..Hα-helixtrans-63.1-45.6169-178.862.6000112.2F70 F74 F101 N102 L103 S108 F109 C110 I142 L146 M154 L215F70-L106 HydrophobicContact CE2-CG 4.4Å; F70-L106 HydrophobicContact CZ-CG 4.41Å; F74-L106 HydrophobicContact CD1-CD2 4.25Å; F74-L106 HydrophobicContact CE1-CD2 4.33Å; F74-L106 HydrophobicContact CG-CD2 4.48Å; F101-L106 HydrophobicContact CE2-CB 4.49Å; F101-L106 HydrophobicContact CE2-CD1 4.36Å; F101-L106 HydrophobicContact CZ-CD1 4.33Å; N102-L106 PolarHBondContact O-N 3.04Å; L103-L106 HydrophobicContact CD1-CD2 4.45Å; L106-S108 VanDerWaalsContact C-N 3.31Å; L106-S108 PolarHBondContact O-N 2.96Å; L106-F109 PolarHBondContact O-N 2.84Å; L106-C110 WeakPolarHBondContact O-CB 3.33Å; L106-C110 PolarHBondContact O-N 2.89Å; L106-C110 PolarHBondContact O-SG 2.98Å; L106-I142 HydrophobicContact CD1-CG2 4.3Å; L106-L146 HydrophobicContact CD2-CD1 4.21Å; L106-M154 HydrophobicContact CD2-CE 3.78Å; L106-M154 HydrophobicContact CD2-SD 4.49Å; L106-L215 HydrophobicContact CD1-CD1 4.27Å; L106-L215 HydrophobicContact CD1-CD2 4.07Å
107K94.7Very high84.2Confident47 Ų4734 Ų3420%0.20421%0.209CC..Hα-helixtrans-59.4-44.2177.1-168.7178.1179.5-174.80111.4Y63 F66 F70 L103 D104 C110 W111 L247Y63-K107 WeakPolarHBondContact OH-CE 3.33Å; F66-K107 HydrophobicContact CE1-CG 3.83Å; F66-K107 HydrophobicContact CZ-CG 3.89Å; F70-K107 HydrophobicContact CD1-CD 4.35Å; F70-K107 HydrophobicContact CD1-CG 4.29Å; F70-K107 HydrophobicContact CD2-CG 4.29Å; F70-K107 HydrophobicContact CE1-CB 3.91Å; F70-K107 HydrophobicContact CE1-CD 4.22Å; F70-K107 HydrophobicContact CE1-CG 4.07Å; F70-K107 HydrophobicContact CE2-CB 3.83Å; F70-K107 HydrophobicContact CE2-CG 4.09Å; F70-K107 HydrophobicContact CG-CG 4.41Å; F70-K107 HydrophobicContact CZ-CB 3.48Å; F70-K107 VanDerWaalsContact CZ-CB 3.48Å; F70-K107 HydrophobicContact CZ-CG 3.97Å; L103-K107 VanDerWaalsContact O-CB 3.3Å; L103-K107 WeakPolarHBondContact O-CB 3.49Å; L103-K107 PolarHBondContact O-N 3.33Å; D104-K107 PolarHBondContact O-N 3.38Å; K107-C110 PolarHBondContact O-N 3.26Å; K107-W111 WeakPolarHBondContact O-CB 3.43Å; K107-W111 PolarHBondContact O-N 3.48Å; K107-L247 HydrophobicContact CG-CD2 4.32Å
108S94.6Very high86.6Confident33 Ų3331.1 Ų31.123%0.23118%0.179CC..Hα-helixtrans-62-47.9176.3-590000111.4D104 S105 L106 C110 W111 I112D104-S108 WeakPolarHBondContact O-CB 3.38Å; D104-S108 PolarHBondContact O-N 3.05Å; D104-S108 PolarHBondContact O-OG 2.82Å; S105-S108 PolarHBondContact O-N 3.46Å; L106-S108 VanDerWaalsContact C-N 3.31Å; L106-S108 PolarHBondContact O-N 2.96Å; S108-C110 PolarHBondContact O-N 2.84Å; S108-W111 PolarHBondContact O-N 3.46Å; S108-I112 WeakPolarHBondContact O-CB 3.48Å; S108-I112 WeakPolarHBondContact O-CD1 3.38Å; S108-I112 WeakPolarHBondContact O-CG1 3.21Å; S108-I112 PolarHBondContact O-N 2.73Å
109F96.6Very high88.7Confident0 Ų025.2 Ų25.20%015%0.148CC..Hα-helixtrans-56.5-51.1176.2-177.9-103.6000112S105 L106 W111 I112 L113 I142 L204 L215 F220 N223 L224 I227S105-F109 WeakPolarHBondContact O-CB 3.13Å; S105-F109 PolarHBondContact O-N 2.79Å; L106-F109 PolarHBondContact O-N 2.84Å; F109-W111 PolarHBondContact O-N 3.26Å; F109-I112 PolarHBondContact O-N 2.91Å; F109-L113 HydrophobicContact CE1-CD2 3.98Å; F109-L113 HydrophobicContact CZ-CD2 4.23Å; F109-L113 WeakPolarHBondContact O-CB 3.32Å; F109-L113 PolarHBondContact O-N 3.36Å; F109-I142 HydrophobicContact CD1-CD1 4.03Å; F109-I142 HydrophobicContact CE1-CD1 3.81Å; F109-L204 HydrophobicContact CE2-CD2 4.45Å; F109-L215 HydrophobicContact CD1-CD2 3.74Å; F109-L215 HydrophobicContact CE1-CD2 3.67Å; F109-F220 HydrophobicContact CB-CE2 3.88Å; F109-F220 HydrophobicContact CB-CZ 4.14Å; F109-F220 HydrophobicContact CD1-CE2 4.32Å; F109-F220 HydrophobicContact CD2-CE2 4.31Å; F109-F220 AromaticContact CG-CE2 3.91Å; F109-F220 HydrophobicContact CG-CE2 3.91Å; F109-N223 HydrophobicContact CE2-CB 3.97Å; F109-N223 HydrophobicContact CZ-CB 4.48Å; F109-L224 HydrophobicContact CB-CD1 3.97Å; F109-L224 HydrophobicContact CD2-CB 4.19Å; F109-L224 HydrophobicContact CD2-CD1 4.17Å; F109-I227 HydrophobicContact CD2-CG2 4.08Å; F109-I227 HydrophobicContact CE2-CG2 4.07Å
110C97.2Very high89.9Confident0 Ų026.8 Ų26.80%014%0.14CC..Hα-helixtrans-58.6-46.4-179.5-69.50000112F66 L106 K107 S108 Y114 M138F66-C110 HydrophobicContact CE2-CB 3.84Å; F66-C110 HydrophobicContact CZ-CB 4.05Å; L106-C110 WeakPolarHBondContact O-CB 3.33Å; L106-C110 PolarHBondContact O-N 2.89Å; L106-C110 PolarHBondContact O-SG 2.98Å; K107-C110 PolarHBondContact O-N 3.26Å; S108-C110 PolarHBondContact O-N 2.84Å; C110-Y114 WeakPolarHBondContact O-CB 3.26Å; C110-Y114 PolarHBondContact O-N 2.93Å; C110-M138 HydrophobicContact CB-CE 4.12Å; C110-M138 HydrophobicContact CB-SD 3.72Å
111W97.2Very high90.5Very high0 Ų022.8 Ų22.80%012%0.119CC..Hα-helixtrans-69.3-41.4-178.3-174.7-116.1000112.7L62 Y63 F66 K107 S108 F109 Y114 S115 E243 F246 L247L62-W111 HydrophobicContact CB-CH2 4.46Å; Y63-W111 AromaticContact CD2-CD2 3.59Å; Y63-W111 HydrophobicContact CD2-CD2 3.59Å; Y63-W111 AromaticContact CD2-CE2 3.54Å; Y63-W111 AromaticContact CD2-CE3 3.71Å; Y63-W111 HydrophobicContact CD2-CE3 3.71Å; Y63-W111 HydrophobicContact CD2-CG 4.27Å; Y63-W111 AromaticContact CD2-CH2 3.78Å; Y63-W111 HydrophobicContact CD2-CH2 3.78Å; Y63-W111 AromaticContact CD2-CZ2 3.65Å; Y63-W111 HydrophobicContact CD2-CZ2 3.65Å; Y63-W111 AromaticContact CD2-CZ3 3.8Å; Y63-W111 HydrophobicContact CD2-CZ3 3.8Å; Y63-W111 AromaticContact CE2-CD2 3.98Å; Y63-W111 HydrophobicContact CE2-CD2 3.98Å; Y63-W111 HydrophobicContact CE2-CE3 4.31Å; Y63-W111 HydrophobicContact CE2-CG 4.19Å; Y63-W111 HydrophobicContact CG-CH2 4.21Å; Y63-W111 HydrophobicContact CG-CZ2 4.23Å; Y63-W111 HydrophobicContact CG-CZ3 4.47Å; F66-W111 HydrophobicContact CB-CE3 4.1Å; F66-W111 HydrophobicContact CB-CZ3 3.85Å; F66-W111 HydrophobicContact CD1-CD2 4.41Å; F66-W111 AromaticContact CD1-CE3 3.7Å; F66-W111 HydrophobicContact CD1-CE3 3.7Å; F66-W111 HydrophobicContact CD1-CZ3 4.23Å; F66-W111 HydrophobicContact CD2-CE3 4.15Å; F66-W111 HydrophobicContact CE1-CB 4.07Å; F66-W111 HydrophobicContact CE1-CE3 4.12Å; F66-W111 AromaticContact CG-CE3 3.7Å; F66-W111 HydrophobicContact CG-CE3 3.7Å; F66-W111 HydrophobicContact CG-CZ3 4Å; F66-W111 HydrophobicContact CZ-CB 4.01Å; K107-W111 WeakPolarHBondContact O-CB 3.43Å; K107-W111 PolarHBondContact O-N 3.48Å; S108-W111 PolarHBondContact O-N 3.46Å; F109-W111 PolarHBondContact O-N 3.26Å; W111-Y114 AromaticContact CE3-CD1 3.78Å; W111-Y114 HydrophobicContact CE3-CD1 3.78Å; W111-Y114 HydrophobicContact CE3-CE1 4.3Å; W111-Y114 HydrophobicContact CH2-CD1 4.12Å; W111-Y114 AromaticContact CH2-CE1 3.9Å; W111-Y114 HydrophobicContact CH2-CE1 3.9Å; W111-Y114 AromaticContact CZ3-CD1 3.57Å; W111-Y114 HydrophobicContact CZ3-CD1 3.57Å; W111-Y114 AromaticContact CZ3-CE1 3.61Å; W111-Y114 HydrophobicContact CZ3-CE1 3.61Å; W111-S115 VanDerWaalsContact O-CB 3.27Å; W111-S115 WeakPolarHBondContact O-CB 3.36Å; W111-S115 PolarHBondContact O-N 3.48Å; W111-S115 PolarHBondContact O-OG 3Å; W111-E243 HydrophobicContact CZ2-CB 4.46Å; W111-E243 PolarHBondContact NE1-O 3.13Å; W111-F246 AromaticContact CZ2-CD2 3.77Å; W111-F246 HydrophobicContact CZ2-CD2 3.77Å; W111-F246 HydrophobicContact CZ2-CE2 4.32Å; W111-L247 HydrophobicContact CB-CD2 3.91Å; W111-L247 HydrophobicContact CG-CD2 4.19Å; W111-L247 HydrophobicContact CG-CG 4.49Å
112I96.4Very high89.9Confident6 Ų624.2 Ų24.23%0.03113%0.128CC..Hα-helixtrans-68.7-43.2178.8-64.7166.6000110.3S108 F109 S115 T116 I227 N228 Y231 R244 L247S108-I112 WeakPolarHBondContact O-CB 3.48Å; S108-I112 WeakPolarHBondContact O-CD1 3.38Å; S108-I112 WeakPolarHBondContact O-CG1 3.21Å; S108-I112 PolarHBondContact O-N 2.73Å; F109-I112 PolarHBondContact O-N 2.91Å; I112-S115 PolarHBondContact O-N 3.32Å; I112-T116 VanDerWaalsContact O-CB 3.28Å; I112-T116 WeakPolarHBondContact O-CB 3.23Å; I112-T116 PolarHBondContact O-N 3.22Å; I112-T116 PolarHBondContact O-OG1 2.91Å; I112-I227 HydrophobicContact CB-CG2 4.48Å; I112-I227 HydrophobicContact CG2-CG1 4.18Å; I112-I227 HydrophobicContact CG2-CG2 3.92Å; I112-N228 HydrophobicContact CD1-CB 4.23Å; I112-Y231 HydrophobicContact CG2-CG 4.25Å; I112-R244 HydrophobicContact CD1-CG 4.47Å; I112-R244 HydrophobicContact CG1-CG 4.11Å; I112-L247 HydrophobicContact CG1-CD1 4.48Å
113L96.9Very high88.9Confident0 Ų023 Ų230%013%0.133CC..Hα-helixtrans-60.1-49.1175.8179.164000111.3F109 S115 T116 I117 I142 W191 L198 L204 I227F109-L113 HydrophobicContact CE1-CD2 3.98Å; F109-L113 HydrophobicContact CZ-CD2 4.23Å; F109-L113 WeakPolarHBondContact O-CB 3.32Å; F109-L113 PolarHBondContact O-N 3.36Å; L113-S115 PolarHBondContact O-N 3.06Å; L113-T116 PolarHBondContact O-N 3.49Å; L113-I117 HydrophobicContact CD1-CD1 3.7Å; L113-I117 HydrophobicContact CD1-CG1 4.34Å; L113-I117 HydrophobicContact CG-CD1 4.12Å; L113-I117 WeakPolarHBondContact O-CG1 3.41Å; L113-I117 PolarHBondContact O-N 3.5Å; L113-I142 HydrophobicContact CD2-CD1 4.37Å; L113-W191 HydrophobicContact CD2-CZ2 4.4Å; L113-W191 HydrophobicContact CG-CH2 4.32Å; L113-L198 HydrophobicContact CD1-CD1 4.36Å; L113-L204 HydrophobicContact CD1-CD1 4.01Å; L113-I227 HydrophobicContact CD1-CD1 4.12Å; L113-I227 HydrophobicContact CD1-CG1 4.25Å
114Y97Very high87.8Confident0 Ų021 Ų210%012%0.123CC..Hα-helixtrans-54.6-53.2174.9168.3-104000111.6L62 C110 W111 T116 I117 R118 G131 F134 L135 M138L62-Y114 WeakPolarHBondContact CD1-OH 3.49Å; C110-Y114 WeakPolarHBondContact O-CB 3.26Å; C110-Y114 PolarHBondContact O-N 2.93Å; W111-Y114 AromaticContact CE3-CD1 3.78Å; W111-Y114 HydrophobicContact CE3-CD1 3.78Å; W111-Y114 HydrophobicContact CE3-CE1 4.3Å; W111-Y114 HydrophobicContact CH2-CD1 4.12Å; W111-Y114 AromaticContact CH2-CE1 3.9Å; W111-Y114 HydrophobicContact CH2-CE1 3.9Å; W111-Y114 AromaticContact CZ3-CD1 3.57Å; W111-Y114 HydrophobicContact CZ3-CD1 3.57Å; W111-Y114 AromaticContact CZ3-CE1 3.61Å; W111-Y114 HydrophobicContact CZ3-CE1 3.61Å; Y114-T116 VanDerWaalsContact C-N 3.33Å; Y114-T116 PolarHBondContact O-N 3.31Å; Y114-I117 PolarHBondContact O-N 2.99Å; Y114-R118 VanDerWaalsContact O-CB 3.23Å; Y114-R118 WeakPolarHBondContact O-CB 3.46Å; Y114-R118 PolarHBondContact O-N 3.02Å; Y114-R118 WeakPolarHBondContact OH-CD 3.39Å; Y114-G131 WeakPolarHBondContact OH-CA 3.22Å; Y114-G131 PolarHBondContact OH-O 3.23Å; Y114-F134 HydrophobicContact CD2-CB 4.24Å; Y114-F134 HydrophobicContact CE2-CB 3.64Å; Y114-L135 HydrophobicContact CD2-CD1 4.31Å; Y114-L135 HydrophobicContact CE2-CB 3.95Å; Y114-L135 HydrophobicContact CE2-CD1 4.21Å; Y114-M138 HydrophobicContact CD2-CB 4.45Å
115S93.7Very high86.8Confident1 Ų117.7 Ų17.71%0.00711%0.108CC..Hα-helixtrans-64.1-40.2-175.7-57.80000111.5W111 I112 L113 K119 E243W111-S115 VanDerWaalsContact O-CB 3.27Å; W111-S115 WeakPolarHBondContact O-CB 3.36Å; W111-S115 PolarHBondContact O-N 3.48Å; W111-S115 PolarHBondContact O-OG 3Å; I112-S115 PolarHBondContact O-N 3.32Å; L113-S115 PolarHBondContact O-N 3.06Å; S115-K119 VanDerWaalsContact O-CB 3.28Å; S115-K119 WeakPolarHBondContact O-CB 3.46Å; S115-K119 WeakPolarHBondContact O-CG 3.41Å; S115-K119 PolarHBondContact O-N 3.47Å; S115-E243 PolarHBondContact OG-OE2 3.31Å
116T92.7Very high85.6Confident2 Ų221.4 Ų21.41%0.01213%0.127CC..Hα-helixtrans-63.3-47.5177.8-57.70000111.7I112 L113 Y114 H120 I227 M230I112-T116 VanDerWaalsContact O-CB 3.28Å; I112-T116 WeakPolarHBondContact O-CB 3.23Å; I112-T116 PolarHBondContact O-N 3.22Å; I112-T116 PolarHBondContact O-OG1 2.91Å; L113-T116 PolarHBondContact O-N 3.49Å; Y114-T116 VanDerWaalsContact C-N 3.33Å; Y114-T116 PolarHBondContact O-N 3.31Å; T116-H120 WeakPolarHBondContact O-CB 3.35Å; T116-H120 PolarHBondContact O-N 3.5Å; T116-I227 HydrophobicContact CG2-CD1 3.96Å; T116-M230 HydrophobicContact CG2-CG 4.06Å; T116-M230 HydrophobicContact CG2-SD 3.89Å
117I92.6Very high84.9Confident0 Ų023.3 Ų23.30%014%0.137CC..Hα-helixtrans-71.3-46.2-179.2-67.3174.2000111L113 Y114 H120 F134 W191 R194 V195 L198L113-I117 HydrophobicContact CD1-CD1 3.7Å; L113-I117 HydrophobicContact CD1-CG1 4.34Å; L113-I117 HydrophobicContact CG-CD1 4.12Å; L113-I117 WeakPolarHBondContact O-CG1 3.41Å; L113-I117 PolarHBondContact O-N 3.5Å; Y114-I117 PolarHBondContact O-N 2.99Å; I117-H120 WeakPolarHBondContact O-CB 3.4Å; I117-H120 PolarHBondContact O-N 3.33Å; I117-F134 HydrophobicContact CG2-CD1 4.31Å; I117-F134 HydrophobicContact CG2-CE1 4.1Å; I117-W191 HydrophobicContact CB-CE3 4.34Å; I117-W191 HydrophobicContact CB-CZ3 3.94Å; I117-W191 HydrophobicContact CD1-CD2 4.49Å; I117-W191 HydrophobicContact CD1-CE3 4.2Å; I117-W191 HydrophobicContact CD1-CH2 3.72Å; I117-W191 HydrophobicContact CD1-CZ2 4.04Å; I117-W191 HydrophobicContact CD1-CZ3 3.83Å; I117-W191 HydrophobicContact CG1-CZ3 4.47Å; I117-W191 HydrophobicContact CG2-CE3 3.7Å; I117-W191 HydrophobicContact CG2-CZ3 3.82Å; I117-R194 HydrophobicContact CG1-CG 4.09Å; I117-R194 HydrophobicContact CG2-CB 4.23Å; I117-R194 HydrophobicContact CG2-CG 4.05Å; I117-V195 HydrophobicContact CD1-CG2 3.57Å; I117-L198 HydrophobicContact CD1-CD1 4.19Å; I117-L198 HydrophobicContact CG1-CD1 4.07Å
118R87.6Confident84.2Confident0 Ų022.6 Ų22.60%014%0.137CC..Hα-helixtrans-57.6-55.1178.8179.8-177.367.3108.2-0.6110.6S59 Y114 H120 V121 T124 E243S59-R118 PolarHBondContact OG-NH1 2.99Å; S59-R118 PolarHBondContact OG-NH2 2.98Å; Y114-R118 VanDerWaalsContact O-CB 3.23Å; Y114-R118 WeakPolarHBondContact O-CB 3.46Å; Y114-R118 PolarHBondContact O-N 3.02Å; Y114-R118 WeakPolarHBondContact OH-CD 3.39Å; R118-H120 PolarHBondContact O-N 3.16Å; R118-V121 PolarHBondContact O-N 3.37Å; R118-T124 PolarHBondContact O-OG1 3.35Å; R118-E243 VanDerWaalsContact NH2-CD 3.26Å; R118-E243 IonicContact NH2-OE1 3.73Å; R118-E243 PolarHBondContact NH2-OE1 3.24Å; R118-E243 IonicContact NH2-OE2 2.74Å; R118-E243 PolarHBondContact NH2-OE2 2.93Å
119K84.5Confident83.4Confident6 Ų623.9 Ų23.93%0.02614%0.14CC..Hα-helixtrans-63.4-27.8-177.7-73.5-163.4179.4-162.90112.6S115 V121 M234 R238 D240 E243S115-K119 VanDerWaalsContact O-CB 3.28Å; S115-K119 WeakPolarHBondContact O-CB 3.46Å; S115-K119 WeakPolarHBondContact O-CG 3.41Å; S115-K119 PolarHBondContact O-N 3.47Å; K119-V121 PolarHBondContact O-N 2.85Å; K119-M234 HydrophobicContact CB-CE 3.71Å; K119-M234 HydrophobicContact CB-SD 4.01Å; K119-M234 HydrophobicContact CD-CE 4.01Å; K119-M234 HydrophobicContact CG-CE 4.39Å; K119-R238 PolarHBondContact O-NH1 3.05Å; K119-R238 PolarHBondContact O-NH2 2.78Å; K119-D240 IonicContact NZ-OD1 3.81Å; K119-D240 IonicContact NZ-OD2 3.83Å; K119-D240 PolarHBondContact NZ-OD2 3.09Å; K119-E243 WeakPolarHBondContact CE-OE1 3.13Å; K119-E243 WeakPolarHBondContact CE-OE2 3.12Å; K119-E243 IonicContact NZ-OE1 3.85Å; K119-E243 PolarHBondContact NZ-OE1 3Å; K119-E243 IonicContact NZ-OE2 2.7Å
120H78.8Confident82.7Confident88 Ų8824.8 Ų24.841%0.40715%0.145SC..Hα-helixtrans-61.3-28.1174.9-171.778.1000112.8T116 I117 R118 R194T116-H120 WeakPolarHBondContact O-CB 3.35Å; T116-H120 PolarHBondContact O-N 3.5Å; I117-H120 WeakPolarHBondContact O-CB 3.4Å; I117-H120 PolarHBondContact O-N 3.33Å; R118-H120 PolarHBondContact O-N 3.16Å; H120-R194 PolarHBondContact CD2-NE 3.15Å
121V74.1Confident82.3Confident23 Ų2324.8 Ų24.814%0.13915%0.145CC..SBendtrans-89.7114.3180-173.50000110.6R118 K119 T124 F134 W190R118-V121 PolarHBondContact O-N 3.37Å; K119-V121 PolarHBondContact O-N 2.85Å; V121-T124 HydrophobicContact CB-CG2 3.82Å; V121-T124 HydrophobicContact CG1-CG2 3.61Å; V121-T124 WeakPolarHBondContact O-CG2 3.29Å; V121-T124 PolarHBondContact O-OG1 3.11Å; V121-F134 HydrophobicContact CB-CZ 4.23Å; V121-F134 HydrophobicContact CG1-CZ 4.47Å; V121-F134 HydrophobicContact CG2-CE1 4.32Å; V121-F134 HydrophobicContact CG2-CZ 3.9Å; V121-W190 HydrophobicContact CG1-CD2 4.41Å; V121-W190 HydrophobicContact CG1-CE3 4.37Å; V121-W190 HydrophobicContact CG1-CZ3 4.44Å
122N63.9Low81.9Confident60 Ų6026.1 Ų26.132%0.32115%0.15SC..THydrogen-bonded Turntrans-60140.3-179.3-67.81.5000112T124 I336 D340N122-T124 VanDerWaalsContact C-N 3.34Å; N122-I336 HydrophobicContact CB-CD1 4.35Å; N122-I336 HydrophobicContact CB-CG2 4.46Å; N122-I336 VanDerWaalsContact ND2-CG2 3.31Å; N122-I336 WeakPolarHBondContact ND2-CG2 3.36Å; N122-D340 PolarHBondContact ND2-OD2 3.15Å
123G65.8Low81.5Confident47 Ų4725.9 Ų25.949%0.48515%0.149SC..THydrogen-bonded Turntrans77.211.9177.700000115.6
124T65Low81.3Confident1 Ų125.9 Ų25.91%0.00615%0.149CC..  trans-102.1-15.7176.365.90000113.4R118 V121 N122 D126 N127 L130 F134R118-T124 PolarHBondContact O-OG1 3.35Å; V121-T124 HydrophobicContact CB-CG2 3.82Å; V121-T124 HydrophobicContact CG1-CG2 3.61Å; V121-T124 WeakPolarHBondContact O-CG2 3.29Å; V121-T124 PolarHBondContact O-OG1 3.11Å; N122-T124 VanDerWaalsContact C-N 3.34Å; T124-D126 VanDerWaalsContact C-N 3.29Å; T124-D126 PolarHBondContact O-N 3.33Å; T124-N127 PolarHBondContact O-N 3.44Å; T124-L130 HydrophobicContact CG2-CD1 4.2Å; T124-F134 HydrophobicContact CG2-CE2 3.85Å; T124-F134 HydrophobicContact CG2-CZ 4.46Å
125S68.3Low81.3Confident42 Ų4225.9 Ų25.929%0.29415%0.149SC..THydrogen-bonded Turntrans-64.7-32.8-174.448.40000113V58V58-S125 WeakPolarHBondContact CB-O 2.82Å; V58-S125 WeakPolarHBondContact CG1-O 3.36Å
126D67.4Low81.3Confident93 Ų9325.9 Ų25.950%0.49715%0.149SC..THydrogen-bonded Turntrans-101.22.2-178.559.5-22.3000113.6T124T124-D126 VanDerWaalsContact C-N 3.29Å; T124-D126 PolarHBondContact O-N 3.33Å
127N78.3Confident81.4Confident40 Ų4025.8 Ų25.821%0.21415%0.148CC..  trans-110.9104.3-176.5-170.8-34.9000112.4T124 I129 L130 G131T124-N127 PolarHBondContact O-N 3.44Å; N127-I129 PolarHBondContact O-N 3.19Å; N127-I129 PolarHBondContact OD1-N 3.08Å; N127-L130 HydrophobicContact CB-CB 4.11Å; N127-L130 HydrophobicContact CB-CD1 4.05Å; N127-L130 HydrophobicContact CB-CG 4.24Å; N127-L130 WeakPolarHBondContact ND2-CD1 3.27Å; N127-L130 PolarHBondContact O-N 2.99Å; N127-L130 PolarHBondContact OD1-N 3.06Å; N127-G131 PolarHBondContact O-N 3.43Å
128V79.6Confident81.6Confident33 Ų3325.8 Ų25.820%0.215%0.148CC..Hα-helixtrans-61-41.5180-176.80000112.5V58 V61 L62 G131 Y132V58-V128 HydrophobicContact CB-CG2 4.4Å; V58-V128 HydrophobicContact CG1-CG2 3.98Å; V58-V128 HydrophobicContact CG2-CG2 3.9Å; V61-V128 HydrophobicContact CG1-CG1 4.14Å; L62-V128 HydrophobicContact CD2-CG1 4.42Å; V128-G131 CarbonylContact O-C 3.53Å; V128-G131 WeakPolarHBondContact O-CA 3.47Å; V128-G131 PolarHBondContact O-N 2.98Å; V128-Y132 HydrophobicContact CG1-CD2 4.23Å; V128-Y132 HydrophobicContact CG1-CE1 4.11Å; V128-Y132 HydrophobicContact CG1-CE2 3.65Å; V128-Y132 PolarHBondContact O-N 3.02Å
129I78.9Confident82Confident59 Ų5925.8 Ų25.830%0.30315%0.148SC..Hα-helixtrans-66.9-46.6-176.9-66.6169.5000110.5N127 G131 Y132 C133 V178 S322N127-I129 PolarHBondContact O-N 3.19Å; N127-I129 PolarHBondContact OD1-N 3.08Å; I129-G131 VanDerWaalsContact C-N 3.27Å; I129-G131 PolarHBondContact O-N 3.1Å; I129-Y132 PolarHBondContact O-N 2.91Å; I129-C133 PolarHBondContact O-N 2.94Å; I129-C133 PolarHBondContact O-SG 2.83Å; I129-C133 VanDerWaalsContact O-SG 3.4Å; I129-V178 HydrophobicContact CG2-CG1 4.08Å; I129-S322 VanDerWaalsContact CD1-O 3.26Å; I129-S322 WeakPolarHBondContact CD1-O 3.03Å
130L82Confident82.5Confident19 Ų1926.8 Ų26.810%0.09915%0.154CC..Hα-helixtrans-60.1-43173.2-70.5178.1000110.2T124 N127 Y132 C133 F134 I186 W190 I330T124-L130 HydrophobicContact CG2-CD1 4.2Å; N127-L130 HydrophobicContact CB-CB 4.11Å; N127-L130 HydrophobicContact CB-CD1 4.05Å; N127-L130 HydrophobicContact CB-CG 4.24Å; N127-L130 WeakPolarHBondContact ND2-CD1 3.27Å; N127-L130 PolarHBondContact O-N 2.99Å; N127-L130 PolarHBondContact OD1-N 3.06Å; L130-Y132 VanDerWaalsContact C-N 3.3Å; L130-Y132 PolarHBondContact O-N 3.43Å; L130-C133 WeakPolarHBondContact O-CB 3.49Å; L130-C133 PolarHBondContact O-N 2.83Å; L130-C133 VanDerWaalsContact O-N 3.08Å; L130-F134 VanDerWaalsContact O-CD2 3.25Å; L130-F134 WeakPolarHBondContact O-CD2 3.48Å; L130-F134 PolarHBondContact O-N 3.22Å; L130-I186 HydrophobicContact CD2-CD1 3.64Å; L130-W190 HydrophobicContact CD2-CZ3 4.19Å; L130-I330 HydrophobicContact CD2-CD1 4.49Å
131G87.3Confident83.3Confident0 Ų023.1 Ų23.10%014%0.138CC..Hα-helixtrans-54.7-41.7174.700000113.5L62 Y114 N127 V128 I129 L135L62-G131 VanDerWaalsContact CD2-C 3.48Å; Y114-G131 WeakPolarHBondContact OH-CA 3.22Å; Y114-G131 PolarHBondContact OH-O 3.23Å; N127-G131 PolarHBondContact O-N 3.43Å; V128-G131 CarbonylContact O-C 3.53Å; V128-G131 WeakPolarHBondContact O-CA 3.47Å; V128-G131 PolarHBondContact O-N 2.98Å; I129-G131 VanDerWaalsContact C-N 3.27Å; I129-G131 PolarHBondContact O-N 3.1Å; G131-L135 WeakPolarHBondContact O-CB 3.45Å; G131-L135 PolarHBondContact O-N 2.7Å
132Y88.5Confident84.3Confident28 Ų2822 Ų2211%0.1113%0.131CC..Hα-helixtrans-67.1-39.5173.7-68.3-27.5000113.1V61 L62 R65 V128 I129 L130 L135 L136 C176 V178V61-Y132 WeakPolarHBondContact CG1-OH 3.27Å; L62-Y132 HydrophobicContact CD2-CD1 3.56Å; L62-Y132 HydrophobicContact CD2-CE1 3.76Å; L62-Y132 HydrophobicContact CD2-CG 4.4Å; R65-Y132 HydrophobicContact CB-CD1 4.26Å; R65-Y132 HydrophobicContact CB-CE1 3.64Å; R65-Y132 HydrophobicContact CG-CD1 3.99Å; R65-Y132 HydrophobicContact CG-CE1 3.67Å; V128-Y132 HydrophobicContact CG1-CD2 4.23Å; V128-Y132 HydrophobicContact CG1-CE1 4.11Å; V128-Y132 HydrophobicContact CG1-CE2 3.65Å; V128-Y132 PolarHBondContact O-N 3.02Å; I129-Y132 PolarHBondContact O-N 2.91Å; L130-Y132 VanDerWaalsContact C-N 3.3Å; L130-Y132 PolarHBondContact O-N 3.43Å; Y132-L135 WeakPolarHBondContact O-CB 3.47Å; Y132-L135 PolarHBondContact O-N 3.33Å; Y132-L136 WeakPolarHBondContact O-CG 3.43Å; Y132-L136 PolarHBondContact O-N 3.46Å; Y132-C176 HydrophobicContact CD2-CB 4.09Å; Y132-C176 WeakPolarHBondContact CD2-O 3.38Å; Y132-C176 HydrophobicContact CG-CB 4.03Å; Y132-V178 HydrophobicContact CD2-CG1 4.35Å
133C88.4Confident85.6Confident2 Ų219.8 Ų19.81%0.01412%0.119CC..Hα-helixtrans-61.8-46175.1-65.30000111.8I129 L130 L135 L136 C137 V183 I186I129-C133 PolarHBondContact O-N 2.94Å; I129-C133 PolarHBondContact O-SG 2.83Å; I129-C133 VanDerWaalsContact O-SG 3.4Å; L130-C133 WeakPolarHBondContact O-CB 3.49Å; L130-C133 PolarHBondContact O-N 2.83Å; L130-C133 VanDerWaalsContact O-N 3.08Å; C133-L135 PolarHBondContact O-N 2.92Å; C133-L136 PolarHBondContact O-N 3.44Å; C133-C137 PolarHBondContact O-N 2.88Å; C133-C137 PolarHBondContact O-SG 3.33Å; C133-V183 HydrophobicContact CB-CG2 4.11Å; C133-I186 HydrophobicContact CB-CB 4.48Å; C133-I186 HydrophobicContact CB-CD1 3.26Å; C133-I186 HydrophobicContact CB-CG1 4.43Å; C133-I186 HydrophobicContact CB-CG2 4.48Å
134F93.8Very high86.8Confident0 Ų022 Ų220%012%0.117CC..Hα-helixtrans-58.8-37.9173.5-85.1-81.1000111.9Y114 I117 V121 T124 L130 C137 M138 I186 W190 W191Y114-F134 HydrophobicContact CD2-CB 4.24Å; Y114-F134 HydrophobicContact CE2-CB 3.64Å; I117-F134 HydrophobicContact CG2-CD1 4.31Å; I117-F134 HydrophobicContact CG2-CE1 4.1Å; V121-F134 HydrophobicContact CB-CZ 4.23Å; V121-F134 HydrophobicContact CG1-CZ 4.47Å; V121-F134 HydrophobicContact CG2-CE1 4.32Å; V121-F134 HydrophobicContact CG2-CZ 3.9Å; T124-F134 HydrophobicContact CG2-CE2 3.85Å; T124-F134 HydrophobicContact CG2-CZ 4.46Å; L130-F134 VanDerWaalsContact O-CD2 3.25Å; L130-F134 WeakPolarHBondContact O-CD2 3.48Å; L130-F134 PolarHBondContact O-N 3.22Å; F134-C137 PolarHBondContact O-N 2.87Å; F134-M138 PolarHBondContact O-N 3.16Å; F134-I186 HydrophobicContact CD1-CG2 4.36Å; F134-I186 HydrophobicContact CD2-CG2 4.31Å; F134-I186 HydrophobicContact CE1-CG2 4.26Å; F134-I186 HydrophobicContact CE2-CG2 4.2Å; F134-I186 HydrophobicContact CG-CG2 4.37Å; F134-I186 HydrophobicContact CZ-CG2 4.18Å; F134-W190 HydrophobicContact CE1-CB 4.32Å; F134-W190 AromaticContact CE2-CE3 3.71Å; F134-W190 HydrophobicContact CE2-CE3 3.71Å; F134-W190 AromaticContact CE2-CZ3 3.96Å; F134-W190 HydrophobicContact CE2-CZ3 3.96Å; F134-W190 HydrophobicContact CZ-CB 4.17Å; F134-W190 HydrophobicContact CZ-CD2 4.31Å; F134-W190 AromaticContact CZ-CE3 3.46Å; F134-W190 HydrophobicContact CZ-CE3 3.46Å; F134-W190 VanDerWaalsContact CZ-CE3 3.46Å; F134-W190 HydrophobicContact CZ-CZ3 4.15Å; F134-W191 AromaticContact CD1-CE3 3.9Å; F134-W191 HydrophobicContact CD1-CE3 3.9Å; F134-W191 HydrophobicContact CD1-CZ3 4.38Å
135L95.4Very high88.1Confident0 Ų022.2 Ų22.20%012%0.118CC..Hα-helixtrans-63.3-45.1179.3-173.367.5000110.7R65 F66 I69 Y114 G131 Y132 C133 M138 F139R65-L135 HydrophobicContact CB-CD2 4.19Å; R65-L135 HydrophobicContact CG-CD2 3.98Å; F66-L135 HydrophobicContact CB-CD1 3.74Å; F66-L135 HydrophobicContact CB-CD2 4.33Å; F66-L135 HydrophobicContact CD2-CD1 3.79Å; F66-L135 HydrophobicContact CG-CD1 4.22Å; I69-L135 HydrophobicContact CD1-CD2 3.92Å; Y114-L135 HydrophobicContact CD2-CD1 4.31Å; Y114-L135 HydrophobicContact CE2-CB 3.95Å; Y114-L135 HydrophobicContact CE2-CD1 4.21Å; G131-L135 WeakPolarHBondContact O-CB 3.45Å; G131-L135 PolarHBondContact O-N 2.7Å; Y132-L135 WeakPolarHBondContact O-CB 3.47Å; Y132-L135 PolarHBondContact O-N 3.33Å; C133-L135 PolarHBondContact O-N 2.92Å; L135-M138 HydrophobicContact CD1-CE 3.94Å; L135-M138 WeakPolarHBondContact O-CB 3.47Å; L135-M138 PolarHBondContact O-N 2.97Å; L135-F139 HydrophobicContact CD1-CD2 4.22Å; L135-F139 HydrophobicContact CD1-CE2 3.7Å; L135-F139 HydrophobicContact CD2-CE2 4.32Å; L135-F139 HydrophobicContact CG-CD2 3.99Å; L135-F139 HydrophobicContact CG-CE2 3.73Å; L135-F139 WeakPolarHBondContact O-CD2 3.35Å; L135-F139 PolarHBondContact O-N 3.44Å
136L94.5Very high89.2Confident0 Ų020.2 Ų20.20%010%0.104CC..Hα-helixtrans-65.5-38.8176.4-65.5-179.8000112.4I69 Y132 C133 M138 F139 D140 F168 F172 C176 V178 V183I69-L136 HydrophobicContact CD1-CD2 4.35Å; Y132-L136 WeakPolarHBondContact O-CG 3.43Å; Y132-L136 PolarHBondContact O-N 3.46Å; C133-L136 PolarHBondContact O-N 3.44Å; L136-M138 VanDerWaalsContact C-N 3.31Å; L136-M138 PolarHBondContact O-N 2.83Å; L136-F139 PolarHBondContact O-N 3.4Å; L136-D140 VanDerWaalsContact O-CB 3.27Å; L136-D140 WeakPolarHBondContact O-CB 3.27Å; L136-D140 PolarHBondContact O-N 3.42Å; L136-F168 HydrophobicContact CD2-CE1 4.02Å; L136-F168 HydrophobicContact CD2-CZ 4.37Å; L136-F172 HydrophobicContact CD2-CB 3.54Å; L136-C176 HydrophobicContact CD1-CB 4.48Å; L136-V178 HydrophobicContact CD1-CG2 3.72Å; L136-V183 HydrophobicContact CB-CG1 3.84Å; L136-V183 HydrophobicContact CD1-CG1 4.42Å; L136-V183 HydrophobicContact CD1-CG2 3.93Å
137C95Very high90.1Very high0 Ų017.1 Ų17.10%09%0.091CC..Hα-helixtrans-62.8-38.3173.6-62.20000112.5C133 F134 T141 W191C133-C137 PolarHBondContact O-N 2.88Å; C133-C137 PolarHBondContact O-SG 3.33Å; F134-C137 PolarHBondContact O-N 2.87Å; C137-T141 PolarHBondContact O-N 3.01Å; C137-T141 VanDerWaalsContact O-N 3.12Å; C137-T141 PolarHBondContact O-OG1 3.07Å; C137-W191 HydrophobicContact CB-CB 3.9Å; C137-W191 HydrophobicContact CB-CD2 3.69Å; C137-W191 HydrophobicContact CB-CE3 4.08Å; C137-W191 HydrophobicContact CB-CG 3.57Å; C137-W191 PolarHBondContact O-NE1 3.44Å
138M97.2Very high90.5Very high0 Ų021.7 Ų21.70%011%0.111CC..Hα-helixtrans-62.5-54175.2-177.1-82-62.900111.2F66 C110 Y114 F134 L135 L136 D140 T141 I142 W191F66-M138 HydrophobicContact CD2-CE 3.75Å; F66-M138 HydrophobicContact CE2-CE 3.67Å; C110-M138 HydrophobicContact CB-CE 4.12Å; C110-M138 HydrophobicContact CB-SD 3.72Å; Y114-M138 HydrophobicContact CD2-CB 4.45Å; F134-M138 PolarHBondContact O-N 3.16Å; L135-M138 HydrophobicContact CD1-CE 3.94Å; L135-M138 WeakPolarHBondContact O-CB 3.47Å; L135-M138 PolarHBondContact O-N 2.97Å; L136-M138 VanDerWaalsContact C-N 3.31Å; L136-M138 PolarHBondContact O-N 2.83Å; M138-D140 VanDerWaalsContact C-N 3.33Å; M138-D140 PolarHBondContact O-N 3.25Å; M138-T141 WeakPolarHBondContact O-CB 3.39Å; M138-T141 PolarHBondContact O-N 3.3Å; M138-T141 VanDerWaalsContact O-N 3.11Å; M138-I142 HydrophobicContact CG-CG1 4.42Å; M138-I142 WeakPolarHBondContact O-CG1 3.02Å; M138-I142 PolarHBondContact O-N 3.03Å; M138-I142 HydrophobicContact SD-CG1 3.66Å; M138-W191 HydrophobicContact CB-CH2 3.32Å; M138-W191 HydrophobicContact CB-CZ2 3.72Å; M138-W191 HydrophobicContact CB-CZ3 3.93Å; M138-W191 HydrophobicContact CG-CH2 3.64Å; M138-W191 HydrophobicContact CG-CZ2 4.04Å
139F96.3Very high90.7Very high0 Ų020.8 Ų20.80%011%0.106CC..Hα-helixtrans-60.5-41.7179-79.5-70.5000112.3F66 I69 F70 F74 L135 L136 T141 I142 I143 F168F66-F139 AromaticContact CD2-CE2 3.98Å; F66-F139 HydrophobicContact CD2-CE2 3.98Å; F66-F139 AromaticContact CD2-CZ 3.63Å; F66-F139 HydrophobicContact CD2-CZ 3.63Å; F66-F139 AromaticContact CE2-CZ 3.96Å; F66-F139 HydrophobicContact CE2-CZ 3.96Å; I69-F139 HydrophobicContact CB-CD2 4.3Å; I69-F139 HydrophobicContact CB-CE1 4.47Å; I69-F139 HydrophobicContact CB-CE2 3.62Å; I69-F139 HydrophobicContact CB-CZ 3.73Å; I69-F139 HydrophobicContact CD1-CE2 4.26Å; I69-F139 HydrophobicContact CG2-CD1 4.1Å; I69-F139 HydrophobicContact CG2-CD2 3.61Å; I69-F139 HydrophobicContact CG2-CE1 3.9Å; I69-F139 HydrophobicContact CG2-CE2 3.41Å; I69-F139 VanDerWaalsContact CG2-CE2 3.41Å; I69-F139 HydrophobicContact CG2-CG 3.98Å; I69-F139 HydrophobicContact CG2-CZ 3.57Å; F70-F139 HydrophobicContact CB-CE1 4.19Å; F70-F139 HydrophobicContact CB-CZ 4.09Å; F70-F139 HydrophobicContact CD2-CE1 4.17Å; F74-F139 HydrophobicContact CE2-CD1 4.09Å; F74-F139 AromaticContact CE2-CE1 3.84Å; F74-F139 HydrophobicContact CE2-CE1 3.84Å; F74-F139 HydrophobicContact CZ-CD1 4.4Å; L135-F139 HydrophobicContact CD1-CD2 4.22Å; L135-F139 HydrophobicContact CD1-CE2 3.7Å; L135-F139 HydrophobicContact CD2-CE2 4.32Å; L135-F139 HydrophobicContact CG-CD2 3.99Å; L135-F139 HydrophobicContact CG-CE2 3.73Å; L135-F139 WeakPolarHBondContact O-CD2 3.35Å; L135-F139 PolarHBondContact O-N 3.44Å; L136-F139 PolarHBondContact O-N 3.4Å; F139-T141 VanDerWaalsContact C-N 3.26Å; F139-T141 PolarHBondContact O-N 3.47Å; F139-I142 PolarHBondContact O-N 3.15Å; F139-I143 HydrophobicContact CB-CD1 4.37Å; F139-I143 VanDerWaalsContact O-CB 3.31Å; F139-I143 WeakPolarHBondContact O-CB 3.23Å; F139-I143 WeakPolarHBondContact O-CD1 3.26Å; F139-I143 WeakPolarHBondContact O-CG1 3.34Å; F139-I143 PolarHBondContact O-N 3.36Å; F139-F168 HydrophobicContact CB-CD1 4.39Å; F139-F168 HydrophobicContact CB-CE1 3.39Å; F139-F168 HydrophobicContact CB-CE2 4.25Å; F139-F168 HydrophobicContact CB-CZ 3.31Å; F139-F168 HydrophobicContact CG-CE1 4.47Å; F139-F168 HydrophobicContact CG-CZ 4.05Å
140D94Very high90.8Very high28 Ų2823.6 Ų23.615%0.1512%0.122CC..Hα-helixtrans-53.8-44.6174.6-172.360.4000111.5L136 M138 H144 F168 I169 R187L136-D140 VanDerWaalsContact O-CB 3.27Å; L136-D140 WeakPolarHBondContact O-CB 3.27Å; L136-D140 PolarHBondContact O-N 3.42Å; M138-D140 VanDerWaalsContact C-N 3.33Å; M138-D140 PolarHBondContact O-N 3.25Å; D140-H144 WeakPolarHBondContact O-CB 3.25Å; D140-H144 PolarHBondContact O-N 2.92Å; D140-F168 HydrophobicContact CB-CD1 3.95Å; D140-I169 HydrophobicContact CB-CG1 4.35Å; D140-R187 IonicContact OD1-NH1 2.71Å; D140-R187 WeakPolarHBondContact OD2-CD 3.45Å; D140-R187 IonicContact OD2-CZ 3.25Å; D140-R187 IonicContact OD2-NE 3.45Å; D140-R187 IonicContact OD2-NH1 3.08Å; D140-R187 PolarHBondContact OD2-NH1 2.76Å
141T95.2Very high90.9Very high10 Ų1023.4 Ų23.46%0.06112%0.12CC..Hα-helixtrans-68.2-44.5179.1-56.70000112.5C137 M138 F139 H144 N145 W191 L214C137-T141 PolarHBondContact O-N 3.01Å; C137-T141 VanDerWaalsContact O-N 3.12Å; C137-T141 PolarHBondContact O-OG1 3.07Å; M138-T141 WeakPolarHBondContact O-CB 3.39Å; M138-T141 PolarHBondContact O-N 3.3Å; M138-T141 VanDerWaalsContact O-N 3.11Å; F139-T141 VanDerWaalsContact C-N 3.26Å; F139-T141 PolarHBondContact O-N 3.47Å; T141-H144 PolarHBondContact O-N 3.4Å; T141-N145 PolarHBondContact O-N 3.4Å; T141-N145 PolarHBondContact O-ND2 3.34Å; T141-W191 PolarHBondContact OG1-NE1 2.79Å; T141-L214 HydrophobicContact CG2-CD1 3.98Å
142I95.2Very high90.6Very high0 Ų028.9 Ų28.90%014%0.144CC..Hα-helixtrans-67.8-42.2-179.3-64.4-62.3000111F74 L106 F109 L113 M138 F139 N145 L146 L215F74-I142 HydrophobicContact CE1-CG2 4.29Å; F74-I142 HydrophobicContact CZ-CG2 3.7Å; L106-I142 HydrophobicContact CD1-CG2 4.3Å; F109-I142 HydrophobicContact CD1-CD1 4.03Å; F109-I142 HydrophobicContact CE1-CD1 3.81Å; L113-I142 HydrophobicContact CD2-CD1 4.37Å; M138-I142 HydrophobicContact CG-CG1 4.42Å; M138-I142 WeakPolarHBondContact O-CG1 3.02Å; M138-I142 PolarHBondContact O-N 3.03Å; M138-I142 HydrophobicContact SD-CG1 3.66Å; F139-I142 PolarHBondContact O-N 3.15Å; I142-N145 PolarHBondContact O-N 3.08Å; I142-L146 HydrophobicContact CG2-CD1 4.12Å; I142-L146 PolarHBondContact O-N 3.26Å; I142-L215 HydrophobicContact CD1-CD1 4.33Å; I142-L215 HydrophobicContact CD1-CD2 4.38Å; I142-L215 HydrophobicContact CG2-CD1 4.01Å
143I92Very high90.3Very high13 Ų1334.6 Ų34.67%0.06717%0.171CC..Hα-helixtrans-63.4-43.7176.6-68.7165.1000110.2V73 F139 N145 L146 A147 L155 L163 F168V73-I143 HydrophobicContact CG1-CD1 3.73Å; V73-I143 HydrophobicContact CG1-CG1 3.8Å; V73-I143 HydrophobicContact CG2-CD1 4.49Å; F139-I143 HydrophobicContact CB-CD1 4.37Å; F139-I143 VanDerWaalsContact O-CB 3.31Å; F139-I143 WeakPolarHBondContact O-CB 3.23Å; F139-I143 WeakPolarHBondContact O-CD1 3.26Å; F139-I143 WeakPolarHBondContact O-CG1 3.34Å; F139-I143 PolarHBondContact O-N 3.36Å; I143-N145 VanDerWaalsContact C-N 3.34Å; I143-N145 PolarHBondContact O-N 2.64Å; I143-L146 PolarHBondContact O-N 2.76Å; I143-A147 VanDerWaalsContact O-CB 3.26Å; I143-A147 WeakPolarHBondContact O-CB 3.41Å; I143-A147 PolarHBondContact O-N 2.81Å; I143-L155 HydrophobicContact CG1-CD2 4.12Å; I143-L155 HydrophobicContact CG2-CD1 4.4Å; I143-L155 HydrophobicContact CG2-CD2 4.39Å; I143-L163 HydrophobicContact CD1-CD1 4.46Å; I143-L163 HydrophobicContact CG2-CD1 3.89Å; I143-F168 HydrophobicContact CD1-CD1 4.41Å; I143-F168 HydrophobicContact CD1-CD2 3.22Å; I143-F168 HydrophobicContact CD1-CE1 4.45Å; I143-F168 HydrophobicContact CD1-CE2 3.25Å; I143-F168 HydrophobicContact CD1-CG 3.85Å; I143-F168 HydrophobicContact CD1-CZ 3.92Å
144H90.9Very high90.1Very high95 Ų9535.5 Ų35.544%0.4418%0.175SC..Hα-helixtrans-62-41.7177.1-167.254.1000111.9D140 T141 E148 L212D140-H144 WeakPolarHBondContact O-CB 3.25Å; D140-H144 PolarHBondContact O-N 2.92Å; T141-H144 PolarHBondContact O-N 3.4Å; H144-E148 PolarHBondContact O-N 2.95Å; H144-L212 VanDerWaalsContact CD2-CD2 3.44Å; H144-L212 WeakPolarHBondContact CD2-CD2 3.26Å
145N93.2Very high89.8Confident4 Ų436 Ų362%0.02118%0.178CC..Hα-helixtrans-62.9-45.2174.5-86.9-95.8000112.4T141 I142 I143 E148 S149 L211 L212 G213 L214 L215T141-N145 PolarHBondContact O-N 3.4Å; T141-N145 PolarHBondContact O-ND2 3.34Å; I142-N145 PolarHBondContact O-N 3.08Å; I143-N145 VanDerWaalsContact C-N 3.34Å; I143-N145 PolarHBondContact O-N 2.64Å; N145-E148 PolarHBondContact O-N 2.97Å; N145-S149 WeakPolarHBondContact O-CB 3.38Å; N145-S149 PolarHBondContact O-N 3.33Å; N145-S149 VanDerWaalsContact O-N 3.15Å; N145-S149 PolarHBondContact O-OG 2.9Å; N145-L211 PolarHBondContact ND2-O 3.38Å; N145-L211 PolarHBondContact OD1-O 3.32Å; N145-L212 WeakPolarHBondContact OD1-CA 3.45Å; N145-G213 PolarHBondContact OD1-N 3.06Å; N145-L214 WeakPolarHBondContact OD1-CB 3.46Å; N145-L214 PolarHBondContact OD1-N 3.43Å; N145-L215 HydrophobicContact CB-CB 4.47Å; N145-L215 HydrophobicContact CB-CD1 3.75Å; N145-L215 HydrophobicContact CB-CG 4.01Å
146L90.5Very high89.3Confident0 Ų038.2 Ų38.20%019%0.19CC..Hα-helixtrans-67.9-37.9179.5-75.9169000112.8F74 F101 L106 I142 I143 E148 S149 R151 K152 L155 L215F74-L146 HydrophobicContact CD1-CD1 4.02Å; F74-L146 HydrophobicContact CE1-CD1 3.37Å; F74-L146 HydrophobicContact CZ-CD1 4.24Å; F101-L146 HydrophobicContact CZ-CD2 4.34Å; L106-L146 HydrophobicContact CD2-CD1 4.21Å; I142-L146 HydrophobicContact CG2-CD1 4.12Å; I142-L146 PolarHBondContact O-N 3.26Å; I143-L146 PolarHBondContact O-N 2.76Å; L146-E148 PolarHBondContact O-N 3.3Å; L146-S149 WeakPolarHBondContact CA-OG 3.3Å; L146-S149 PolarHBondContact O-N 2.91Å; L146-S149 PolarHBondContact O-OG 3.33Å; L146-R151 HydrophobicContact CD2-CB 3.81Å; L146-K152 WeakPolarHBondContact O-CA 3.19Å; L146-K152 PolarHBondContact O-N 3.4Å; L146-L155 HydrophobicContact CB-CD1 4.07Å; L146-L155 HydrophobicContact CB-CD2 4.34Å; L146-L155 HydrophobicContact CB-CG 4.12Å; L146-L155 HydrophobicContact CD1-CD2 4.01Å; L146-L155 HydrophobicContact CD1-CG 4.38Å; L146-L215 HydrophobicContact CD1-CD1 4.35Å; L146-L215 HydrophobicContact CD2-CD1 3.87Å; L146-L215 HydrophobicContact CG-CD1 3.61Å
147A86.6Confident88.7Confident29 Ų2943.3 Ų43.324%0.2421%0.214CC..Hα-helixtrans-62.9-30.7-17900000113.2I143 L155I143-A147 VanDerWaalsContact O-CB 3.26Å; I143-A147 WeakPolarHBondContact O-CB 3.41Å; I143-A147 PolarHBondContact O-N 2.81Å; A147-L155 HydrophobicContact CB-CD1 4.38Å
148E85.8Confident88.1Confident135 Ų13548.9 Ų48.963%0.63124%0.244SC*.Hα-helixtrans-96.3-9.1178.7-63.4-59.7137.700113.5H144 N145 L146 L212H144-E148 PolarHBondContact O-N 2.95Å; N145-E148 PolarHBondContact O-N 2.97Å; L146-E148 PolarHBondContact O-N 3.3Å; E148-L212 HydrophobicContact CB-CD1 4.29Å; E148-L212 HydrophobicContact CB-CD2 4.17Å; E148-L212 HydrophobicContact CG-CD1 4.04Å; E148-L212 HydrophobicContact CG-CD2 4.14Å
149S85.1Confident87.3Confident14 Ų1449.6 Ų49.610%0.09825%0.247CC..SBendtrans-90.3167.9176.573.90000113.1N145 L146 R151N145-S149 WeakPolarHBondContact O-CB 3.38Å; N145-S149 PolarHBondContact O-N 3.33Å; N145-S149 VanDerWaalsContact O-N 3.15Å; N145-S149 PolarHBondContact O-OG 2.9Å; L146-S149 WeakPolarHBondContact CA-OG 3.3Å; L146-S149 PolarHBondContact O-N 2.91Å; L146-S149 PolarHBondContact O-OG 3.33Å; S149-R151 PolarHBondContact O-N 3.22Å; S149-R151 VanDerWaalsContact O-N 3.16Å; S149-R151 WeakPolarHBondContact OG-CB 3.37Å; S149-R151 PolarHBondContact OG-N 2.86Å; S149-R151 VanDerWaalsContact OG-N 3.13Å
150D80.1Confident86.5Confident119 Ų11950.8 Ų50.864%0.63626%0.255SS*.THydrogen-bonded Turntrans-65.7-8.8168.568.4-31.4000113.5
151R84.5Confident85.9Confident14 Ų1454.5 Ų54.55%0.05327%0.272CS..THydrogen-bonded Turntrans-94.813-177.3-65.6155.4172.4-159.7-6.4114.1F101 L146 S149 H153 M154 L215 H217F101-R151 HydrophobicContact CD1-CG 4.24Å; F101-R151 HydrophobicContact CE1-CB 4.1Å; F101-R151 HydrophobicContact CE1-CG 3.84Å; F101-R151 VanDerWaalsContact CE2-NH1 3.26Å; F101-R151 VanDerWaalsContact CG-NH1 3.29Å; L146-R151 HydrophobicContact CD2-CB 3.81Å; S149-R151 PolarHBondContact O-N 3.22Å; S149-R151 VanDerWaalsContact O-N 3.16Å; S149-R151 WeakPolarHBondContact OG-CB 3.37Å; S149-R151 PolarHBondContact OG-N 2.86Å; S149-R151 VanDerWaalsContact OG-N 3.13Å; R151-H153 PolarHBondContact O-N 2.92Å; R151-M154 PolarHBondContact O-N 2.71Å; R151-M154 VanDerWaalsContact O-N 3.08Å; R151-L215 WeakPolarHBondContact CD-O 3.19Å; R151-L215 PolarHBondContact NH1-O 3.35Å; R151-H217 PolarHBondContact NH2-ND1 3.24Å
152K80.7Confident85.1Confident115 Ų11557.9 Ų57.950%0.529%0.288SS..G310 helixtrans-52-25.9177.4-173.7173.4-172.6160.80114.9L146 M154 L155L146-K152 WeakPolarHBondContact O-CA 3.19Å; L146-K152 PolarHBondContact O-N 3.4Å; K152-M154 PolarHBondContact O-N 2.99Å; K152-M154 VanDerWaalsContact O-N 3.12Å; K152-L155 PolarHBondContact O-N 3.42Å; K152-L155 VanDerWaalsContact O-N 3.14Å
153H82.2Confident84.5Confident148 Ų14859.8 Ų59.869%0.68530%0.298SS*.G310 helixtrans-63.5-10.9178.466.6-88000114.6R151R151-H153 PolarHBondContact O-N 2.92Å
154M84.6Confident83.9Confident21 Ų2168.8 Ų68.810%0.10333%0.331CS..G310 helixtrans-83.3-17.5174.6-68-169.768.500114F74 V75 F101 L103 L106 R151 K152F74-M154 WeakPolarHBondContact CA-O 3Å; V75-M154 PolarHBondContact N-O 3.39Å; F101-M154 HydrophobicContact CD1-SD 3.99Å; F101-M154 HydrophobicContact CE1-CE 4.36Å; F101-M154 HydrophobicContact CE1-SD 3.23Å; F101-M154 WeakPolarHBondContact CE1-SD 3.33Å; F101-M154 HydrophobicContact CZ-SD 3.95Å; L103-M154 HydrophobicContact CB-CE 4.31Å; L103-M154 HydrophobicContact CD1-CE 3.79Å; L106-M154 HydrophobicContact CD2-CE 3.78Å; L106-M154 HydrophobicContact CD2-SD 4.49Å; R151-M154 PolarHBondContact O-N 2.71Å; R151-M154 VanDerWaalsContact O-N 3.08Å; K152-M154 PolarHBondContact O-N 2.99Å; K152-M154 VanDerWaalsContact O-N 3.12Å
155L86.9Confident83.3Confident12 Ų1267.6 Ų67.66%0.06335%0.345CS..BIsolated β-bridgetrans-75.9138.3174.6-65.7172.3000109.7V73 F74 I143 L146 A147 K152 Q157 C160V73-L155 HydrophobicContact CG1-CD2 4.18Å; F74-L155 HydrophobicContact CD1-CD2 3.96Å; F74-L155 HydrophobicContact CE1-CD2 3.63Å; I143-L155 HydrophobicContact CG1-CD2 4.12Å; I143-L155 HydrophobicContact CG2-CD1 4.4Å; I143-L155 HydrophobicContact CG2-CD2 4.39Å; L146-L155 HydrophobicContact CB-CD1 4.07Å; L146-L155 HydrophobicContact CB-CD2 4.34Å; L146-L155 HydrophobicContact CB-CG 4.12Å; L146-L155 HydrophobicContact CD1-CD2 4.01Å; L146-L155 HydrophobicContact CD1-CG 4.38Å; A147-L155 HydrophobicContact CB-CD1 4.38Å; K152-L155 PolarHBondContact O-N 3.42Å; K152-L155 VanDerWaalsContact O-N 3.14Å; L155-Q157 PolarHBondContact O-N 3.45Å; L155-C160 WeakPolarHBondContact CB-SG 3.29Å
156D85.8Confident82.7Confident45 Ų4572 Ų7224%0.24137%0.367CS..  trans-61.3135.3173.3-169.9-70.3000110.5V73 V75 D158 I159 C160V73-D156 PolarHBondContact O-N 3.27Å; V75-D156 VanDerWaalsContact CG2-CA 3.49Å; V75-D156 HydrophobicContact CG2-CB 4.01Å; D156-D158 VanDerWaalsContact C-N 3.32Å; D156-D158 PolarHBondContact O-N 3Å; D156-D158 WeakPolarHBondContact OD1-CA 3.41Å; D156-D158 VanDerWaalsContact OD1-CB 3.3Å; D156-D158 WeakPolarHBondContact OD1-CB 3.45Å; D156-D158 PolarHBondContact OD1-N 3.03Å; D156-I159 HydrophobicContact CB-CB 4.19Å; D156-I159 HydrophobicContact CB-CG1 3.95Å; D156-I159 PolarHBondContact O-N 3.3Å; D156-C160 PolarHBondContact O-N 3.43Å; D156-C160 PolarHBondContact O-SG 3.35Å
157Q81.8Confident82.3Confident108 Ų10875 Ų7551%0.50538%0.382SS..Hα-helixtrans-64.7-37.6-176.8-1806529.100111.5L155 I159 C160 E161L155-Q157 PolarHBondContact O-N 3.45Å; Q157-I159 VanDerWaalsContact C-N 3.32Å; Q157-C160 WeakPolarHBondContact O-CB 3.43Å; Q157-C160 PolarHBondContact O-N 2.95Å; Q157-E161 PolarHBondContact NE2-OE1 3.21Å; Q157-E161 WeakPolarHBondContact O-CG 3.36Å; Q157-E161 PolarHBondContact O-N 2.9Å
158D81.6Confident82.4Confident116 Ų11674 Ų7462%0.6237%0.373SS*.Hα-helixtrans-68-36.8179-64.2-17.8000110.3D156 E161 M162D156-D158 VanDerWaalsContact C-N 3.32Å; D156-D158 PolarHBondContact O-N 3Å; D156-D158 WeakPolarHBondContact OD1-CA 3.41Å; D156-D158 VanDerWaalsContact OD1-CB 3.3Å; D156-D158 WeakPolarHBondContact OD1-CB 3.45Å; D156-D158 PolarHBondContact OD1-N 3.03Å; D158-E161 PolarHBondContact O-N 3.37Å; D158-M162 WeakPolarHBondContact O-CB 3.45Å; D158-M162 PolarHBondContact O-N 3.19Å
159I81.1Confident82.6Confident16 Ų1667.6 Ų67.68%0.08234%0.343CS..Hα-helixtrans-68.6-43.3173-62.2-59.3000110.8K72 D156 Q157 E161 M162 L163 F172K72-I159 VanDerWaalsContact O-CG1 3.29Å; K72-I159 WeakPolarHBondContact O-CG1 3.35Å; D156-I159 HydrophobicContact CB-CB 4.19Å; D156-I159 HydrophobicContact CB-CG1 3.95Å; D156-I159 PolarHBondContact O-N 3.3Å; Q157-I159 VanDerWaalsContact C-N 3.32Å; I159-E161 PolarHBondContact O-N 2.95Å; I159-M162 HydrophobicContact CD1-CE 4.24Å; I159-M162 WeakPolarHBondContact O-CB 3.47Å; I159-M162 PolarHBondContact O-N 3.21Å; I159-L163 HydrophobicContact CG2-CD1 3.73Å; I159-L163 HydrophobicContact CG2-CG 4.11Å; I159-L163 WeakPolarHBondContact O-CB 3.34Å; I159-L163 VanDerWaalsContact O-CG 3.26Å; I159-L163 WeakPolarHBondContact O-CG 3.34Å; I159-L163 PolarHBondContact O-N 3.17Å; I159-F172 HydrophobicContact CD1-CE2 4.44Å; I159-F172 HydrophobicContact CD1-CZ 3.99Å
160C79.9Confident82.5Confident25 Ų2570.8 Ų70.817%0.16936%0.356CS..Hα-helixtrans-57.8-38.6174.9-72.20000112L155 D156 Q157 R164L155-C160 WeakPolarHBondContact CB-SG 3.29Å; D156-C160 PolarHBondContact O-N 3.43Å; D156-C160 PolarHBondContact O-SG 3.35Å; Q157-C160 WeakPolarHBondContact O-CB 3.43Å; Q157-C160 PolarHBondContact O-N 2.95Å; C160-R164 WeakPolarHBondContact O-CG 3.08Å; C160-R164 PolarHBondContact O-N 3.23Å
161E80.1Confident82.7Confident106 Ų10665.7 Ų65.750%0.49533%0.331SS..Hα-helixtrans-70.9-41.5176.3-73.9179.7-166.900112.2Q157 D158 I159 L163 R164Q157-E161 PolarHBondContact NE2-OE1 3.21Å; Q157-E161 WeakPolarHBondContact O-CG 3.36Å; Q157-E161 PolarHBondContact O-N 2.9Å; D158-E161 PolarHBondContact O-N 3.37Å; I159-E161 PolarHBondContact O-N 2.95Å; E161-L163 VanDerWaalsContact C-N 3.34Å; E161-L163 PolarHBondContact O-N 2.99Å; E161-R164 PolarHBondContact O-N 3.19Å
162M79.4Confident82.9Confident80 Ų8065.2 Ų65.239%0.39433%0.329SS..Hα-helixtrans-59.1-43.7174.5-173.6-173.9-6000112D158 I159 R164 G165 M166 A171D158-M162 WeakPolarHBondContact O-CB 3.45Å; D158-M162 PolarHBondContact O-N 3.19Å; I159-M162 HydrophobicContact CD1-CE 4.24Å; I159-M162 WeakPolarHBondContact O-CB 3.47Å; I159-M162 PolarHBondContact O-N 3.21Å; M162-R164 VanDerWaalsContact C-N 3.25Å; M162-R164 PolarHBondContact O-N 2.7Å; M162-G165 PolarHBondContact O-N 2.97Å; M162-M166 PolarHBondContact O-N 3.44Å; M162-A171 HydrophobicContact SD-CB 4.2Å
163L82.9Confident83Confident41 Ų4159.8 Ų59.822%0.21531%0.305CS..THydrogen-bonded Turntrans-75.3-6.8-176.8-64.8178.9000114.3I143 I159 E161 G165 M166 F168I143-L163 HydrophobicContact CD1-CD1 4.46Å; I143-L163 HydrophobicContact CG2-CD1 3.89Å; I159-L163 HydrophobicContact CG2-CD1 3.73Å; I159-L163 HydrophobicContact CG2-CG 4.11Å; I159-L163 WeakPolarHBondContact O-CB 3.34Å; I159-L163 VanDerWaalsContact O-CG 3.26Å; I159-L163 WeakPolarHBondContact O-CG 3.34Å; I159-L163 PolarHBondContact O-N 3.17Å; E161-L163 VanDerWaalsContact C-N 3.34Å; E161-L163 PolarHBondContact O-N 2.99Å; L163-G165 VanDerWaalsContact C-N 3.3Å; L163-M166 WeakPolarHBondContact CA-O 3.39Å; L163-F168 HydrophobicContact CD1-CD2 4.29Å; L163-F168 VanDerWaalsContact CD2-CA 3.49Å; L163-F168 HydrophobicContact CD2-CB 3.78Å; L163-F168 HydrophobicContact CD2-CD2 4.12Å; L163-F168 HydrophobicContact CD2-CG 4.46Å
164R78.7Confident82.8Confident201 Ų20158.9 Ų58.976%0.75831%0.306SS*.THydrogen-bonded Turntrans-69.7-28.1171.7-75.5175.9-176.7177.12.8113C160 E161 M162C160-R164 WeakPolarHBondContact O-CG 3.08Å; C160-R164 PolarHBondContact O-N 3.23Å; E161-R164 PolarHBondContact O-N 3.19Å; M162-R164 VanDerWaalsContact C-N 3.25Å; M162-R164 PolarHBondContact O-N 2.7Å
165G77Confident82.5Confident71 Ų7163.3 Ų63.373%0.73232%0.322SS*.THydrogen-bonded Turntrans-108.4-16-177.100000114.7M162 L163M162-G165 PolarHBondContact O-N 2.97Å; L163-G165 VanDerWaalsContact C-N 3.3Å
166M81Confident82.2Confident97 Ų9763.1 Ų63.148%0.47832%0.321SS..SBendtrans-140141.1-174.4-65.2-177.16700111.1M162 L163 Q170M162-M166 PolarHBondContact O-N 3.44Å; L163-M166 WeakPolarHBondContact CA-O 3.39Å; M166-Q170 HydrophobicContact CE-CG 3.76Å
167D82.8Confident81.8Confident62 Ų6268.2 Ų68.233%0.33235%0.349SS..  trans-63.6142170.9170108.5000110.5I169 Q170 A171 R187D167-I169 VanDerWaalsContact C-N 3.31Å; D167-I169 PolarHBondContact O-N 3.36Å; D167-I169 WeakPolarHBondContact OD2-CA 3.4Å; D167-I169 WeakPolarHBondContact OD2-CB 3.38Å; D167-I169 PolarHBondContact OD2-N 3.03Å; D167-Q170 HydrophobicContact CB-CB 4.29Å; D167-Q170 WeakPolarHBondContact O-CB 3.4Å; D167-Q170 PolarHBondContact O-N 2.84Å; D167-Q170 PolarHBondContact OD2-N 2.67Å; D167-A171 PolarHBondContact O-N 3.25Å; D167-R187 IonicContact OD1-NH1 3.4Å
168F88.9Confident81.5Confident8 Ų863.9 Ų63.94%0.03533%0.329CS..Hα-helixtrans-57.4-43.4-175.9172.8-93.7000112.2I69 V73 L136 F139 D140 I143 L163 Q170 A171 F172I69-F168 HydrophobicContact CG2-CZ 4.43Å; V73-F168 HydrophobicContact CG2-CE2 4.08Å; L136-F168 HydrophobicContact CD2-CE1 4.02Å; L136-F168 HydrophobicContact CD2-CZ 4.37Å; F139-F168 HydrophobicContact CB-CD1 4.39Å; F139-F168 HydrophobicContact CB-CE1 3.39Å; F139-F168 HydrophobicContact CB-CE2 4.25Å; F139-F168 HydrophobicContact CB-CZ 3.31Å; F139-F168 HydrophobicContact CG-CE1 4.47Å; F139-F168 HydrophobicContact CG-CZ 4.05Å; D140-F168 HydrophobicContact CB-CD1 3.95Å; I143-F168 HydrophobicContact CD1-CD1 4.41Å; I143-F168 HydrophobicContact CD1-CD2 3.22Å; I143-F168 HydrophobicContact CD1-CE1 4.45Å; I143-F168 HydrophobicContact CD1-CE2 3.25Å; I143-F168 HydrophobicContact CD1-CG 3.85Å; I143-F168 HydrophobicContact CD1-CZ 3.92Å; L163-F168 HydrophobicContact CD1-CD2 4.29Å; L163-F168 VanDerWaalsContact CD2-CA 3.49Å; L163-F168 HydrophobicContact CD2-CB 3.78Å; L163-F168 HydrophobicContact CD2-CD2 4.12Å; L163-F168 HydrophobicContact CD2-CG 4.46Å; F168-Q170 VanDerWaalsContact C-N 3.3Å; F168-Q170 PolarHBondContact O-N 3.2Å; F168-A171 PolarHBondContact O-N 3.06Å; F168-F172 AromaticContact CD2-CD2 3.47Å; F168-F172 HydrophobicContact CD2-CD2 3.47Å; F168-F172 VanDerWaalsContact CD2-CD2 3.47Å; F168-F172 AromaticContact CD2-CE2 3.72Å; F168-F172 HydrophobicContact CD2-CE2 3.72Å; F168-F172 HydrophobicContact CD2-CG 4.28Å; F168-F172 HydrophobicContact CE1-CB 4.29Å; F168-F172 HydrophobicContact CE1-CG 4.47Å; F168-F172 HydrophobicContact CE2-CB 4.3Å; F168-F172 HydrophobicContact CE2-CD1 4.21Å; F168-F172 AromaticContact CE2-CD2 3.19Å; F168-F172 HydrophobicContact CE2-CD2 3.19Å; F168-F172 HydrophobicContact CE2-CE1 4.35Å; F168-F172 AromaticContact CE2-CE2 3.38Å; F168-F172 HydrophobicContact CE2-CE2 3.38Å; F168-F172 AromaticContact CE2-CG 3.65Å; F168-F172 HydrophobicContact CE2-CG 3.65Å; F168-F172 AromaticContact CE2-CZ 3.97Å; F168-F172 HydrophobicContact CE2-CZ 3.97Å; F168-F172 HydrophobicContact CG-CD2 4.28Å; F168-F172 HydrophobicContact CZ-CB 4.01Å; F168-F172 HydrophobicContact CZ-CD1 4.24Å; F168-F172 AromaticContact CZ-CD2 3.78Å; F168-F172 HydrophobicContact CZ-CD2 3.78Å; F168-F172 HydrophobicContact CZ-CE2 4.3Å; F168-F172 AromaticContact CZ-CG 3.74Å; F168-F172 HydrophobicContact CZ-CG 3.74Å; F168-F172 PolarHBondContact O-N 3.48Å
169I88.7Confident81.3Confident0 Ų060.5 Ų60.50%032%0.315CS..Hα-helixtrans-61.1-43.5177.9-63.2170000109.5D140 D167 A171 F172 S173 V180 V183 K184 R187D140-I169 HydrophobicContact CB-CG1 4.35Å; D167-I169 VanDerWaalsContact C-N 3.31Å; D167-I169 PolarHBondContact O-N 3.36Å; D167-I169 WeakPolarHBondContact OD2-CA 3.4Å; D167-I169 WeakPolarHBondContact OD2-CB 3.38Å; D167-I169 PolarHBondContact OD2-N 3.03Å; I169-A171 VanDerWaalsContact C-N 3.32Å; I169-A171 PolarHBondContact O-N 2.9Å; I169-F172 PolarHBondContact O-N 2.71Å; I169-S173 WeakPolarHBondContact O-CB 3.28Å; I169-S173 PolarHBondContact O-N 3.36Å; I169-S173 PolarHBondContact O-OG 3.27Å; I169-V180 HydrophobicContact CG2-CG1 4.18Å; I169-V183 HydrophobicContact CB-CG1 4.36Å; I169-V183 HydrophobicContact CD1-CG1 3.87Å; I169-V183 HydrophobicContact CG1-CG1 3.96Å; I169-V183 HydrophobicContact CG2-CB 3.53Å; I169-V183 HydrophobicContact CG2-CG1 3.52Å; I169-V183 HydrophobicContact CG2-CG2 4.11Å; I169-K184 HydrophobicContact CD1-CG 4.41Å; I169-R187 VanDerWaalsContact CD1-NH1 3.29Å
170Q84.4Confident80.9Confident81 Ų8160.8 Ų60.838%0.37932%0.318SS..Hα-helixtrans-62.4-38.6177.7-175.366.45600112.6M166 D167 F168M166-Q170 HydrophobicContact CE-CG 3.76Å; D167-Q170 HydrophobicContact CB-CB 4.29Å; D167-Q170 WeakPolarHBondContact O-CB 3.4Å; D167-Q170 PolarHBondContact O-N 2.84Å; D167-Q170 PolarHBondContact OD2-N 2.67Å; F168-Q170 VanDerWaalsContact C-N 3.3Å; F168-Q170 PolarHBondContact O-N 3.2Å
171A83.5Confident80.6Confident13 Ų1366 Ų6611%0.10734%0.343CS..Hα-helixtrans-72-40.8-179.900000112.6M162 D167 F168 I169M162-A171 HydrophobicContact SD-CB 4.2Å; D167-A171 PolarHBondContact O-N 3.25Å; F168-A171 PolarHBondContact O-N 3.06Å; I169-A171 VanDerWaalsContact C-N 3.32Å; I169-A171 PolarHBondContact O-N 2.9Å
172F88.8Confident80.5Confident4 Ų462.5 Ų62.52%0.01833%0.328CS..Hα-helixtrans-96.7-11.4-173.1-78.5-99.6000115.2I69 V73 L136 I159 F168 I169 N174 Y175 C176I69-F172 HydrophobicContact CG1-CD1 4.42Å; I69-F172 HydrophobicContact CG2-CD1 4.05Å; I69-F172 HydrophobicContact CG2-CE1 4Å; V73-F172 HydrophobicContact CG2-CE1 4.16Å; V73-F172 HydrophobicContact CG2-CZ 3.86Å; L136-F172 HydrophobicContact CD2-CB 3.54Å; I159-F172 HydrophobicContact CD1-CE2 4.44Å; I159-F172 HydrophobicContact CD1-CZ 3.99Å; F168-F172 AromaticContact CD2-CD2 3.47Å; F168-F172 HydrophobicContact CD2-CD2 3.47Å; F168-F172 VanDerWaalsContact CD2-CD2 3.47Å; F168-F172 AromaticContact CD2-CE2 3.72Å; F168-F172 HydrophobicContact CD2-CE2 3.72Å; F168-F172 HydrophobicContact CD2-CG 4.28Å; F168-F172 HydrophobicContact CE1-CB 4.29Å; F168-F172 HydrophobicContact CE1-CG 4.47Å; F168-F172 HydrophobicContact CE2-CB 4.3Å; F168-F172 HydrophobicContact CE2-CD1 4.21Å; F168-F172 AromaticContact CE2-CD2 3.19Å; F168-F172 HydrophobicContact CE2-CD2 3.19Å; F168-F172 HydrophobicContact CE2-CE1 4.35Å; F168-F172 AromaticContact CE2-CE2 3.38Å; F168-F172 HydrophobicContact CE2-CE2 3.38Å; F168-F172 AromaticContact CE2-CG 3.65Å; F168-F172 HydrophobicContact CE2-CG 3.65Å; F168-F172 AromaticContact CE2-CZ 3.97Å; F168-F172 HydrophobicContact CE2-CZ 3.97Å; F168-F172 HydrophobicContact CG-CD2 4.28Å; F168-F172 HydrophobicContact CZ-CB 4.01Å; F168-F172 HydrophobicContact CZ-CD1 4.24Å; F168-F172 AromaticContact CZ-CD2 3.78Å; F168-F172 HydrophobicContact CZ-CD2 3.78Å; F168-F172 HydrophobicContact CZ-CE2 4.3Å; F168-F172 AromaticContact CZ-CG 3.74Å; F168-F172 HydrophobicContact CZ-CG 3.74Å; F168-F172 PolarHBondContact O-N 3.48Å; I169-F172 PolarHBondContact O-N 2.71Å; F172-N174 PolarHBondContact O-N 3.37Å; F172-Y175 HydrophobicContact CD1-CD2 4.11Å; F172-Y175 HydrophobicContact CG-CD2 4.47Å; F172-Y175 WeakPolarHBondContact O-CB 3.38Å; F172-Y175 PolarHBondContact O-N 3.38Å; F172-C176 PolarHBondContact O-N 3.21Å
173S82.7Confident80.5Confident0 Ų058.7 Ų58.70%031%0.309CS..Hα-helixtrans-57.9-36.7175.8-71.30000112.8I169 Y175 C176 D177 V178 V180I169-S173 WeakPolarHBondContact O-CB 3.28Å; I169-S173 PolarHBondContact O-N 3.36Å; I169-S173 PolarHBondContact O-OG 3.27Å; S173-Y175 VanDerWaalsContact C-N 3.32Å; S173-Y175 PolarHBondContact O-N 3.23Å; S173-C176 PolarHBondContact O-N 3.05Å; S173-D177 PolarHBondContact O-N 3.31Å; S173-V178 WeakPolarHBondContact CB-O 3.37Å; S173-V178 PolarHBondContact O-N 3Å; S173-V178 VanDerWaalsContact O-N 3.13Å; S173-V180 WeakPolarHBondContact OG-CG2 3.38Å
174N78.1Confident80.3Confident130 Ų13060.7 Ų60.770%0.69532%0.316SS*.Hα-helixtrans-66.3-31.9176.6-68.4-13.9000112.8F172 C176 D177F172-N174 PolarHBondContact O-N 3.37Å; N174-C176 PolarHBondContact O-N 3.14Å; N174-D177 PolarHBondContact O-N 3.07Å
175Y78.4Confident80.5Confident114 Ų11453.3 Ų53.345%0.44729%0.289SS..Hα-helixtrans-71.1-22.2177.4-76-88.1000112.6R65 F68 F172 S173R65-Y175 PolarHBondContact NH1-O 2.47Å; F68-Y175 HydrophobicContact CE1-CD1 4Å; F68-Y175 HydrophobicContact CE1-CE1 4.36Å; F172-Y175 HydrophobicContact CD1-CD2 4.11Å; F172-Y175 HydrophobicContact CG-CD2 4.47Å; F172-Y175 WeakPolarHBondContact O-CB 3.38Å; F172-Y175 PolarHBondContact O-N 3.38Å; S173-Y175 VanDerWaalsContact C-N 3.32Å; S173-Y175 PolarHBondContact O-N 3.23Å
176C80.2Confident80.6Confident7 Ų750 Ų505%0.04726%0.255CS..Hα-helixtrans-104.6-1.6178.3-59.30000113.3Y132 L136 F172 S173 N174 V178Y132-C176 HydrophobicContact CD2-CB 4.09Å; Y132-C176 WeakPolarHBondContact CD2-O 3.38Å; Y132-C176 HydrophobicContact CG-CB 4.03Å; L136-C176 HydrophobicContact CD1-CB 4.48Å; F172-C176 PolarHBondContact O-N 3.21Å; S173-C176 PolarHBondContact O-N 3.05Å; N174-C176 PolarHBondContact O-N 3.14Å; C176-V178 VanDerWaalsContact C-N 3.28Å; C176-V178 HydrophobicContact CB-CG1 4.12Å; C176-V178 HydrophobicContact CB-CG2 4.02Å; C176-V178 WeakPolarHBondContact O-CG1 3.46Å; C176-V178 PolarHBondContact O-N 3Å
177D78.3Confident80.8Confident153 Ų15348.3 Ų48.382%0.81824%0.243SC*.THydrogen-bonded Turntrans52.842.7-173.8-158.324.2000112.8S173 N174S173-D177 PolarHBondContact O-N 3.31Å; N174-D177 PolarHBondContact O-N 3.07Å
178V75.8Confident80.6Confident16 Ų1648.2 Ų48.210%0.09725%0.251CS..  trans-116.3153.7-179.9-59.70000112.3I129 Y132 L136 S173 C176 V183I129-V178 HydrophobicContact CG2-CG1 4.08Å; Y132-V178 HydrophobicContact CD2-CG1 4.35Å; L136-V178 HydrophobicContact CD1-CG2 3.72Å; S173-V178 WeakPolarHBondContact CB-O 3.37Å; S173-V178 PolarHBondContact O-N 3Å; S173-V178 VanDerWaalsContact O-N 3.13Å; C176-V178 VanDerWaalsContact C-N 3.28Å; C176-V178 HydrophobicContact CB-CG1 4.12Å; C176-V178 HydrophobicContact CB-CG2 4.02Å; C176-V178 WeakPolarHBondContact O-CG1 3.46Å; C176-V178 PolarHBondContact O-N 3Å; V178-V183 HydrophobicContact CB-CG2 4.46Å; V178-V183 HydrophobicContact CG2-CG2 3.65Å
179S76.4Confident80.1Confident45 Ų4552 Ų5232%0.31527%0.269SS..  trans-73.4127.9174.7167.20000110.9L181 D182 V183S179-L181 PolarHBondContact O-N 3.12Å; S179-L181 PolarHBondContact OG-N 3.23Å; S179-D182 WeakPolarHBondContact CB-OD2 3.25Å; S179-D182 PolarHBondContact O-N 2.99Å; S179-V183 WeakPolarHBondContact O-CG2 3.31Å; S179-V183 PolarHBondContact O-N 3.02Å
180V72.6Confident79.9Confident23 Ų2353.7 Ų53.714%0.13928%0.275CS..Hα-helixtrans-56.5-35.6174.9174.80000111.9I169 S173 D182 K184I169-V180 HydrophobicContact CG2-CG1 4.18Å; S173-V180 WeakPolarHBondContact OG-CG2 3.38Å; V180-D182 VanDerWaalsContact C-N 3.33Å; V180-K184 HydrophobicContact CG1-CD 4.12Å; V180-K184 HydrophobicContact CG1-CG 4.45Å; V180-K184 WeakPolarHBondContact O-CB 3.4Å; V180-K184 WeakPolarHBondContact O-CG 3.37Å; V180-K184 PolarHBondContact O-N 3.31Å
181L74.3Confident80.3Confident135 Ų13549.9 Ų49.971%0.70726%0.257SS*.Hα-helixtrans-66-38178.7-69.3172.1000111.3S179 K184 F185S179-L181 PolarHBondContact O-N 3.12Å; S179-L181 PolarHBondContact OG-N 3.23Å; L181-K184 PolarHBondContact O-N 3.37Å; L181-F185 WeakPolarHBondContact O-CB 3.4Å; L181-F185 PolarHBondContact O-N 3.18Å
182D78.4Confident80.6Confident31 Ų3151.9 Ų51.917%0.16627%0.268CS..Hα-helixtrans-69.7-41-179.3-61.3-7.1000110.5S179 V180 F185 I186S179-D182 WeakPolarHBondContact CB-OD2 3.25Å; S179-D182 PolarHBondContact O-N 2.99Å; V180-D182 VanDerWaalsContact C-N 3.33Å; D182-F185 WeakPolarHBondContact O-CB 3.45Å; D182-F185 PolarHBondContact O-N 3.12Å; D182-I186 WeakPolarHBondContact O-CB 3.45Å; D182-I186 WeakPolarHBondContact O-CG1 3.19Å; D182-I186 PolarHBondContact O-N 2.71Å
183V78.3Confident80.5Confident0 Ų054.1 Ų54.10%028%0.283CS..Hα-helixtrans-65-43.8175.3-172.40000110.8C133 L136 I169 V178 S179 F185 I186 R187C133-V183 HydrophobicContact CB-CG2 4.11Å; L136-V183 HydrophobicContact CB-CG1 3.84Å; L136-V183 HydrophobicContact CD1-CG1 4.42Å; L136-V183 HydrophobicContact CD1-CG2 3.93Å; I169-V183 HydrophobicContact CB-CG1 4.36Å; I169-V183 HydrophobicContact CD1-CG1 3.87Å; I169-V183 HydrophobicContact CG1-CG1 3.96Å; I169-V183 HydrophobicContact CG2-CB 3.53Å; I169-V183 HydrophobicContact CG2-CG1 3.52Å; I169-V183 HydrophobicContact CG2-CG2 4.11Å; V178-V183 HydrophobicContact CB-CG2 4.46Å; V178-V183 HydrophobicContact CG2-CG2 3.65Å; S179-V183 WeakPolarHBondContact O-CG2 3.31Å; S179-V183 PolarHBondContact O-N 3.02Å; V183-F185 VanDerWaalsContact C-N 3.28Å; V183-F185 PolarHBondContact O-N 3.18Å; V183-I186 PolarHBondContact O-N 2.97Å; V183-R187 WeakPolarHBondContact O-CB 2.84Å; V183-R187 PolarHBondContact O-N 3.23Å
184K78.8Confident80.9Confident83 Ų8355.7 Ų55.736%0.36129%0.289SS..Hα-helixtrans-62.9-36.5176.9-75.9-178.1178.4-177.60112.2I169 V180 L181 A188I169-K184 HydrophobicContact CD1-CG 4.41Å; V180-K184 HydrophobicContact CG1-CD 4.12Å; V180-K184 HydrophobicContact CG1-CG 4.45Å; V180-K184 WeakPolarHBondContact O-CB 3.4Å; V180-K184 WeakPolarHBondContact O-CG 3.37Å; V180-K184 PolarHBondContact O-N 3.31Å; L181-K184 PolarHBondContact O-N 3.37Å; K184-A188 PolarHBondContact O-N 3.01Å; K184-A188 VanDerWaalsContact O-N 3.1Å
185F82.4Confident81.7Confident47 Ų4749.5 Ų49.521%0.20626%0.256CS..Hα-helixtrans-64.4-51173.2175.9-94.4000111.6L181 D182 V183 R187 A188 E189 I330 R331L181-F185 WeakPolarHBondContact O-CB 3.4Å; L181-F185 PolarHBondContact O-N 3.18Å; D182-F185 WeakPolarHBondContact O-CB 3.45Å; D182-F185 PolarHBondContact O-N 3.12Å; V183-F185 VanDerWaalsContact C-N 3.28Å; V183-F185 PolarHBondContact O-N 3.18Å; F185-R187 PolarHBondContact O-N 3.45Å; F185-A188 PolarHBondContact O-N 2.97Å; F185-A188 VanDerWaalsContact O-N 3.11Å; F185-E189 HydrophobicContact CD1-CG 4.48Å; F185-E189 HydrophobicContact CD2-CG 3.93Å; F185-E189 HydrophobicContact CE1-CB 4.49Å; F185-E189 HydrophobicContact CE1-CG 4.15Å; F185-E189 HydrophobicContact CE2-CG 3.56Å; F185-E189 HydrophobicContact CG-CG 4.38Å; F185-E189 HydrophobicContact CZ-CB 4.4Å; F185-E189 HydrophobicContact CZ-CG 3.68Å; F185-E189 PolarHBondContact O-N 3.03Å; F185-I330 HydrophobicContact CE1-CG2 4.33Å; F185-R331 HydrophobicContact CZ-CG 4.14Å
186I80.1Confident82.4Confident2 Ų248.1 Ų48.11%0.0125%0.252CS..Hα-helixtrans-59.7-38.3177.9-72.9166000110.9L130 C133 F134 D182 V183 W190 W191L130-I186 HydrophobicContact CD2-CD1 3.64Å; C133-I186 HydrophobicContact CB-CB 4.48Å; C133-I186 HydrophobicContact CB-CD1 3.26Å; C133-I186 HydrophobicContact CB-CG1 4.43Å; C133-I186 HydrophobicContact CB-CG2 4.48Å; F134-I186 HydrophobicContact CD1-CG2 4.36Å; F134-I186 HydrophobicContact CD2-CG2 4.31Å; F134-I186 HydrophobicContact CE1-CG2 4.26Å; F134-I186 HydrophobicContact CE2-CG2 4.2Å; F134-I186 HydrophobicContact CG-CG2 4.37Å; F134-I186 HydrophobicContact CZ-CG2 4.18Å; D182-I186 WeakPolarHBondContact O-CB 3.45Å; D182-I186 WeakPolarHBondContact O-CG1 3.19Å; D182-I186 PolarHBondContact O-N 2.71Å; V183-I186 PolarHBondContact O-N 2.97Å; I186-W190 HydrophobicContact CB-CE3 4.42Å; I186-W190 HydrophobicContact CD1-CZ3 4.46Å; I186-W190 HydrophobicContact CG1-CE3 3.9Å; I186-W190 HydrophobicContact CG1-CZ3 4.08Å; I186-W190 HydrophobicContact CG2-CE3 4.07Å; I186-W190 PolarHBondContact O-N 3.01Å; I186-W191 PolarHBondContact O-N 3.31Å
187R84.3Confident82.9Confident61 Ų6151.4 Ų51.423%0.2327%0.269CS..Iπ-helixtrans-57.7-52.1173.6-171.7172.660.9-177.5-0.5111.3D140 D167 I169 V183 F185 T192D140-R187 IonicContact OD1-NH1 2.71Å; D140-R187 WeakPolarHBondContact OD2-CD 3.45Å; D140-R187 IonicContact OD2-CZ 3.25Å; D140-R187 IonicContact OD2-NE 3.45Å; D140-R187 IonicContact OD2-NH1 3.08Å; D140-R187 PolarHBondContact OD2-NH1 2.76Å; D167-R187 IonicContact OD1-NH1 3.4Å; I169-R187 VanDerWaalsContact CD1-NH1 3.29Å; V183-R187 WeakPolarHBondContact O-CB 2.84Å; V183-R187 PolarHBondContact O-N 3.23Å; F185-R187 PolarHBondContact O-N 3.45Å; R187-T192 VanDerWaalsContact O-CB 3.26Å; R187-T192 WeakPolarHBondContact O-CB 3.35Å; R187-T192 PolarHBondContact O-N 3.04Å; R187-T192 PolarHBondContact O-OG1 3.47Å; R187-T192 VanDerWaalsContact O-OG1 3.05Å
188A78.4Confident83.7Confident59 Ų5944.1 Ų44.149%0.48823%0.23SC..Iπ-helixtrans-69.5-42.5-175.300000113.5K184 F185 P193K184-A188 PolarHBondContact O-N 3.01Å; K184-A188 VanDerWaalsContact O-N 3.1Å; F185-A188 PolarHBondContact O-N 2.97Å; F185-A188 VanDerWaalsContact O-N 3.11Å; A188-P193 VanDerWaalsContact O-CD 3.3Å; A188-P193 WeakPolarHBondContact O-CD 3.36Å; A188-P193 VanDerWaalsContact O-CG 3.29Å; A188-P193 WeakPolarHBondContact O-CG 3.48Å
189E80.1Confident84.6Confident89 Ų8944 Ų4442%0.41623%0.229SC..Iπ-helixtrans-91.5-30.3-170.6-60.7-73.9115.700113.2F185 R331F185-E189 HydrophobicContact CD1-CG 4.48Å; F185-E189 HydrophobicContact CD2-CG 3.93Å; F185-E189 HydrophobicContact CE1-CB 4.49Å; F185-E189 HydrophobicContact CE1-CG 4.15Å; F185-E189 HydrophobicContact CE2-CG 3.56Å; F185-E189 HydrophobicContact CG-CG 4.38Å; F185-E189 HydrophobicContact CZ-CB 4.4Å; F185-E189 HydrophobicContact CZ-CG 3.68Å; F185-E189 PolarHBondContact O-N 3.03Å; E189-R331 IonicContact OE2-CZ 3.37Å; E189-R331 IonicContact OE2-NH1 3.95Å; E189-R331 IonicContact OE2-NH2 3.17Å; E189-R331 PolarHBondContact OE2-NH2 3.36Å
190W83.7Confident85.4Confident35 Ų3546.3 Ų46.313%0.13324%0.235CC..Iπ-helixtrans-122.4-52.4-170.3-60.2-19.8000113.3V121 L130 F134 I186 R194 I330 T334V121-W190 HydrophobicContact CG1-CD2 4.41Å; V121-W190 HydrophobicContact CG1-CE3 4.37Å; V121-W190 HydrophobicContact CG1-CZ3 4.44Å; L130-W190 HydrophobicContact CD2-CZ3 4.19Å; F134-W190 HydrophobicContact CE1-CB 4.32Å; F134-W190 AromaticContact CE2-CE3 3.71Å; F134-W190 HydrophobicContact CE2-CE3 3.71Å; F134-W190 AromaticContact CE2-CZ3 3.96Å; F134-W190 HydrophobicContact CE2-CZ3 3.96Å; F134-W190 HydrophobicContact CZ-CB 4.17Å; F134-W190 HydrophobicContact CZ-CD2 4.31Å; F134-W190 AromaticContact CZ-CE3 3.46Å; F134-W190 HydrophobicContact CZ-CE3 3.46Å; F134-W190 VanDerWaalsContact CZ-CE3 3.46Å; F134-W190 HydrophobicContact CZ-CZ3 4.15Å; I186-W190 HydrophobicContact CB-CE3 4.42Å; I186-W190 HydrophobicContact CD1-CZ3 4.46Å; I186-W190 HydrophobicContact CG1-CE3 3.9Å; I186-W190 HydrophobicContact CG1-CZ3 4.08Å; I186-W190 HydrophobicContact CG2-CE3 4.07Å; I186-W190 PolarHBondContact O-N 3.01Å; W190-R194 WeakPolarHBondContact O-CB 3.4Å; W190-R194 PolarHBondContact O-N 2.83Å; W190-R194 VanDerWaalsContact O-N 3.15Å; W190-I330 HydrophobicContact CH2-CG2 3.26Å; W190-I330 HydrophobicContact CZ2-CG2 3.55Å; W190-I330 HydrophobicContact CZ3-CG2 4.22Å; W190-T334 HydrophobicContact CH2-CG2 4.46Å; W190-T334 HydrophobicContact CZ2-CG2 3.41Å; W190-T334 VanDerWaalsContact CZ2-CG2 3.41Å
191W92.1Very high86.4Confident0 Ų050 Ų500%025%0.253CS..Iπ-helixtrans-67.4-61.2-174.9-177.7-92.9000112L113 I117 F134 C137 M138 T141 I186 R194 V195L113-W191 HydrophobicContact CD2-CZ2 4.4Å; L113-W191 HydrophobicContact CG-CH2 4.32Å; I117-W191 HydrophobicContact CB-CE3 4.34Å; I117-W191 HydrophobicContact CB-CZ3 3.94Å; I117-W191 HydrophobicContact CD1-CD2 4.49Å; I117-W191 HydrophobicContact CD1-CE3 4.2Å; I117-W191 HydrophobicContact CD1-CH2 3.72Å; I117-W191 HydrophobicContact CD1-CZ2 4.04Å; I117-W191 HydrophobicContact CD1-CZ3 3.83Å; I117-W191 HydrophobicContact CG1-CZ3 4.47Å; I117-W191 HydrophobicContact CG2-CE3 3.7Å; I117-W191 HydrophobicContact CG2-CZ3 3.82Å; F134-W191 AromaticContact CD1-CE3 3.9Å; F134-W191 HydrophobicContact CD1-CE3 3.9Å; F134-W191 HydrophobicContact CD1-CZ3 4.38Å; C137-W191 HydrophobicContact CB-CB 3.9Å; C137-W191 HydrophobicContact CB-CD2 3.69Å; C137-W191 HydrophobicContact CB-CE3 4.08Å; C137-W191 HydrophobicContact CB-CG 3.57Å; C137-W191 PolarHBondContact O-NE1 3.44Å; M138-W191 HydrophobicContact CB-CH2 3.32Å; M138-W191 HydrophobicContact CB-CZ2 3.72Å; M138-W191 HydrophobicContact CB-CZ3 3.93Å; M138-W191 HydrophobicContact CG-CH2 3.64Å; M138-W191 HydrophobicContact CG-CZ2 4.04Å; T141-W191 PolarHBondContact OG1-NE1 2.79Å; I186-W191 PolarHBondContact O-N 3.31Å; W191-R194 PolarHBondContact O-N 3.03Å; W191-R194 VanDerWaalsContact O-N 3.11Å; W191-V195 HydrophobicContact CD2-CG2 4.33Å; W191-V195 HydrophobicContact CG-CG2 4.47Å; W191-V195 HydrophobicContact CZ2-CG2 4.13Å; W191-V195 WeakPolarHBondContact O-CG2 3.45Å; W191-V195 PolarHBondContact O-N 3.47Å
192T90.7Very high87.2Confident55 Ų5551.5 Ų51.534%0.33726%0.257SS..Hα-helixtrans-58.9-46.6-176.3-630000111.9R187 R194 V195 K196 L211R187-T192 VanDerWaalsContact O-CB 3.26Å; R187-T192 WeakPolarHBondContact O-CB 3.35Å; R187-T192 PolarHBondContact O-N 3.04Å; R187-T192 PolarHBondContact O-OG1 3.47Å; R187-T192 VanDerWaalsContact O-OG1 3.05Å; T192-R194 VanDerWaalsContact C-N 3.32Å; T192-R194 PolarHBondContact O-N 3.16Å; T192-V195 PolarHBondContact O-N 3.29Å; T192-K196 WeakPolarHBondContact O-CB 3.37Å; T192-K196 PolarHBondContact O-N 3.31Å; T192-L211 HydrophobicContact CG2-CD1 3.85Å
193P87.2Confident87.9Confident52 Ų5251 Ų5134%0.33826%0.255SS..Hα-helixtrans-62.4-37176.2-25.337.8000112.9A188 K196 L197A188-P193 VanDerWaalsContact O-CD 3.3Å; A188-P193 WeakPolarHBondContact O-CD 3.36Å; A188-P193 VanDerWaalsContact O-CG 3.29Å; A188-P193 WeakPolarHBondContact O-CG 3.48Å; P193-K196 PolarHBondContact O-N 3.2Å; P193-L197 WeakPolarHBondContact O-CG 3.16Å; P193-L197 PolarHBondContact O-N 3.32Å
194R90.5Very high88.8Confident32 Ų3251.1 Ų51.112%0.12126%0.255CS..Hα-helixtrans-72.1-42.7-179.7-173.559.6-178.7134.91.8112.4I117 H120 W190 W191 T192 K196 L197 L198I117-R194 HydrophobicContact CG1-CG 4.09Å; I117-R194 HydrophobicContact CG2-CB 4.23Å; I117-R194 HydrophobicContact CG2-CG 4.05Å; H120-R194 PolarHBondContact CD2-NE 3.15Å; W190-R194 WeakPolarHBondContact O-CB 3.4Å; W190-R194 PolarHBondContact O-N 2.83Å; W190-R194 VanDerWaalsContact O-N 3.15Å; W191-R194 PolarHBondContact O-N 3.03Å; W191-R194 VanDerWaalsContact O-N 3.11Å; T192-R194 VanDerWaalsContact C-N 3.32Å; T192-R194 PolarHBondContact O-N 3.16Å; R194-K196 VanDerWaalsContact C-N 3.27Å; R194-K196 PolarHBondContact O-N 3.1Å; R194-L197 PolarHBondContact O-N 3.5Å; R194-L198 WeakPolarHBondContact O-CG 3.05Å; R194-L198 PolarHBondContact O-N 2.92Å
195V94.4Very high89.5Confident0 Ų050.5 Ų50.50%026%0.258CS..Hα-helixtrans-59.5-43.6173.6179.80000109.9I117 W191 T192 L197 L198 I199 L211 L214I117-V195 HydrophobicContact CD1-CG2 3.57Å; W191-V195 HydrophobicContact CD2-CG2 4.33Å; W191-V195 HydrophobicContact CG-CG2 4.47Å; W191-V195 HydrophobicContact CZ2-CG2 4.13Å; W191-V195 WeakPolarHBondContact O-CG2 3.45Å; W191-V195 PolarHBondContact O-N 3.47Å; T192-V195 PolarHBondContact O-N 3.29Å; V195-L197 PolarHBondContact O-N 3.44Å; V195-L198 WeakPolarHBondContact O-CB 3.29Å; V195-L198 PolarHBondContact O-N 3.41Å; V195-I199 HydrophobicContact CG1-CD1 4.16Å; V195-I199 WeakPolarHBondContact O-CG1 3.49Å; V195-I199 PolarHBondContact O-N 2.84Å; V195-I199 VanDerWaalsContact O-N 3.12Å; V195-L211 HydrophobicContact CB-CD1 4.14Å; V195-L211 HydrophobicContact CB-CD2 4.4Å; V195-L211 HydrophobicContact CG1-CD1 4.13Å; V195-L211 HydrophobicContact CG1-CD2 3.99Å; V195-L211 HydrophobicContact CG1-CG 4.48Å; V195-L214 HydrophobicContact CG1-CD1 4.42Å
196K92.6Very high90.1Very high86 Ų8649.3 Ų49.337%0.37426%0.257SS..Hα-helixtrans-58.9-44.8175.9-178.3174.3170.5-178.90112.5T192 P193 R194 L198 I199 E200 A208 L211T192-K196 WeakPolarHBondContact O-CB 3.37Å; T192-K196 PolarHBondContact O-N 3.31Å; P193-K196 PolarHBondContact O-N 3.2Å; R194-K196 VanDerWaalsContact C-N 3.27Å; R194-K196 PolarHBondContact O-N 3.1Å; K196-L198 VanDerWaalsContact C-N 3.35Å; K196-L198 PolarHBondContact O-N 3.17Å; K196-I199 WeakPolarHBondContact O-CB 3.36Å; K196-I199 PolarHBondContact O-N 3.44Å; K196-I199 VanDerWaalsContact O-N 3.12Å; K196-E200 WeakPolarHBondContact CE-OE1 3.35Å; K196-E200 HydrophobicContact CG-CG 4.44Å; K196-E200 IonicContact NZ-OE1 3.73Å; K196-E200 WeakPolarHBondContact O-CG 3.27Å; K196-E200 PolarHBondContact O-N 2.59Å; K196-A208 HydrophobicContact CG-CB 4.32Å; K196-L211 HydrophobicContact CB-CD2 4.3Å
197L91.8Very high90.6Very high75 Ų7553 Ų5339%0.39328%0.277SS..Hα-helixtrans-62.1-39.4175.5-75.6172000112.5P193 R194 V195 I199 E200 D201P193-L197 WeakPolarHBondContact O-CG 3.16Å; P193-L197 PolarHBondContact O-N 3.32Å; R194-L197 PolarHBondContact O-N 3.5Å; V195-L197 PolarHBondContact O-N 3.44Å; L197-I199 PolarHBondContact O-N 3.46Å; L197-E200 PolarHBondContact O-N 2.66Å; L197-D201 VanDerWaalsContact O-CB 3.26Å; L197-D201 WeakPolarHBondContact O-CB 3.37Å; L197-D201 VanDerWaalsContact O-CG 3.28Å; L197-D201 PolarHBondContact O-N 3.17Å
198L95.1Very high90.7Very high0 Ų051.2 Ų51.20%028%0.276CS..Hα-helixtrans-62.1-31.7175-67.2175000112.1L113 I117 R194 V195 K196 V203 L204 I227 M230L113-L198 HydrophobicContact CD1-CD1 4.36Å; I117-L198 HydrophobicContact CD1-CD1 4.19Å; I117-L198 HydrophobicContact CG1-CD1 4.07Å; R194-L198 WeakPolarHBondContact O-CG 3.05Å; R194-L198 PolarHBondContact O-N 2.92Å; V195-L198 WeakPolarHBondContact O-CB 3.29Å; V195-L198 PolarHBondContact O-N 3.41Å; K196-L198 VanDerWaalsContact C-N 3.35Å; K196-L198 PolarHBondContact O-N 3.17Å; L198-V203 HydrophobicContact CB-CB 4.48Å; L198-V203 HydrophobicContact CD2-CB 4.35Å; L198-V203 HydrophobicContact CD2-CG1 4.25Å; L198-V203 WeakPolarHBondContact O-CA 3.46Å; L198-V203 WeakPolarHBondContact O-CB 3.48Å; L198-V203 PolarHBondContact O-N 3.09Å; L198-L204 HydrophobicContact CB-CB 4.5Å; L198-L204 HydrophobicContact CB-CD1 3.82Å; L198-L204 HydrophobicContact CB-CG 4.1Å; L198-L204 HydrophobicContact CD1-CD1 3.92Å; L198-L204 PolarHBondContact O-N 3.29Å; L198-I227 HydrophobicContact CD1-CD1 4.13Å; L198-M230 HydrophobicContact CD2-CE 3.71Å; L198-M230 HydrophobicContact CD2-SD 3.38Å; L198-M230 WeakPolarHBondContact CD2-SD 3.09Å
199I94.9Very high91.1Very high13 Ų1354.6 Ų54.67%0.06729%0.29CS..Hα-helixtrans-74.5-44.9175.4-62.6164.1000111.2V195 K196 L197 D201 H202 L204 A206 A208 L211V195-I199 HydrophobicContact CG1-CD1 4.16Å; V195-I199 WeakPolarHBondContact O-CG1 3.49Å; V195-I199 PolarHBondContact O-N 2.84Å; V195-I199 VanDerWaalsContact O-N 3.12Å; K196-I199 WeakPolarHBondContact O-CB 3.36Å; K196-I199 PolarHBondContact O-N 3.44Å; K196-I199 VanDerWaalsContact O-N 3.12Å; L197-I199 PolarHBondContact O-N 3.46Å; I199-D201 VanDerWaalsContact C-N 3.34Å; I199-D201 PolarHBondContact O-N 3.37Å; I199-H202 PolarHBondContact O-N 3.08Å; I199-H202 VanDerWaalsContact O-N 3.13Å; I199-L204 VanDerWaalsContact CA-O 3.29Å; I199-L204 WeakPolarHBondContact CA-O 3.32Å; I199-L204 HydrophobicContact CG1-CB 4.01Å; I199-A206 HydrophobicContact CD1-CB 3.76Å; I199-A206 HydrophobicContact CG1-CB 4.15Å; I199-A206 WeakPolarHBondContact CG2-O 3.42Å; I199-A208 HydrophobicContact CB-CB 4.38Å; I199-A208 HydrophobicContact CG2-CB 3.83Å; I199-L211 HydrophobicContact CD1-CD2 3.8Å
200E92.9Very high91.5Very high95 Ų9553.6 Ų53.644%0.44429%0.29SS..Hα-helixtrans-65.5-35.3178.5-71.2176.3167.100112.5K196 L197 H202K196-E200 WeakPolarHBondContact CE-OE1 3.35Å; K196-E200 HydrophobicContact CG-CG 4.44Å; K196-E200 IonicContact NZ-OE1 3.73Å; K196-E200 WeakPolarHBondContact O-CG 3.27Å; K196-E200 PolarHBondContact O-N 2.59Å; L197-E200 PolarHBondContact O-N 2.66Å; E200-H202 PolarHBondContact O-N 2.75Å
201D92.7Very high92Very high99 Ų9952.7 Ų52.753%0.52929%0.287SS..THydrogen-bonded Turntrans-776.3174.8-70.2-20.5000112.9L197 I199 V203L197-D201 VanDerWaalsContact O-CB 3.26Å; L197-D201 WeakPolarHBondContact O-CB 3.37Å; L197-D201 VanDerWaalsContact O-CG 3.28Å; L197-D201 PolarHBondContact O-N 3.17Å; I199-D201 VanDerWaalsContact C-N 3.34Å; I199-D201 PolarHBondContact O-N 3.37Å; D201-V203 HydrophobicContact CB-CG2 4.12Å; D201-V203 PolarHBondContact O-N 3.11Å
202H92.7Very high92Very high168 Ų16854.5 Ų54.578%0.77830%0.297SS*.THydrogen-bonded Turntrans5827-178.4-57-59.6000114.7I199 E200I199-H202 PolarHBondContact O-N 3.08Å; I199-H202 VanDerWaalsContact O-N 3.13Å; E200-H202 PolarHBondContact O-N 2.75Å
203V92.9Very high92Very high21 Ų2152.2 Ų52.213%0.12729%0.285CS..SBendtrans-84.7-39.3174.5176.40000109.5L198 D201 S226 M230L198-V203 HydrophobicContact CB-CB 4.48Å; L198-V203 HydrophobicContact CD2-CB 4.35Å; L198-V203 HydrophobicContact CD2-CG1 4.25Å; L198-V203 WeakPolarHBondContact O-CA 3.46Å; L198-V203 WeakPolarHBondContact O-CB 3.48Å; L198-V203 PolarHBondContact O-N 3.09Å; D201-V203 HydrophobicContact CB-CG2 4.12Å; D201-V203 PolarHBondContact O-N 3.11Å; V203-S226 WeakPolarHBondContact O-CB 3.29Å; V203-S226 PolarHBondContact O-OG 3.22Å; V203-M230 HydrophobicContact CB-CE 3.91Å; V203-M230 HydrophobicContact CG1-CB 4.32Å; V203-M230 HydrophobicContact CG1-CE 3.53Å; V203-M230 HydrophobicContact CG1-SD 3.99Å; V203-M230 HydrophobicContact CG2-CE 3.26Å
204L96.4Very high92.2Very high1 Ų149.8 Ų49.81%0.00527%0.268CS..SBendtrans-117.2137.6174.5-64.9175.1000110.4F109 L113 L198 I199 L214 N223 I227F109-L204 HydrophobicContact CE2-CD2 4.45Å; L113-L204 HydrophobicContact CD1-CD1 4.01Å; L198-L204 HydrophobicContact CB-CB 4.5Å; L198-L204 HydrophobicContact CB-CD1 3.82Å; L198-L204 HydrophobicContact CB-CG 4.1Å; L198-L204 HydrophobicContact CD1-CD1 3.92Å; L198-L204 PolarHBondContact O-N 3.29Å; I199-L204 VanDerWaalsContact CA-O 3.29Å; I199-L204 WeakPolarHBondContact CA-O 3.32Å; I199-L204 HydrophobicContact CG1-CB 4.01Å; L204-L214 HydrophobicContact CB-CD2 4.09Å; L204-L214 HydrophobicContact CD1-CD2 4.01Å; L204-L214 HydrophobicContact CG-CD2 4.5Å; L204-N223 HydrophobicContact CD2-CB 3.96Å; L204-I227 HydrophobicContact CD2-CB 4.23Å
205T94.3Very high92.3Very high70 Ų7048.2 Ų48.243%0.42926%0.263SS..  trans-95.7106.2172.6-54.80000108.9N219 N223T205-N219 HydrophobicContact CG2-CB 4.38Å; T205-N219 WeakPolarHBondContact CG2-OD1 3.25Å; T205-N223 PolarHBondContact N-OD1 3.25Å; T205-N223 PolarHBondContact O-ND2 2.95Å
206A93.6Very high92.1Very high22 Ų2251.2 Ų51.218%0.18228%0.279CS..SBendtrans-162.6174.5174.500000110.1I199 A208 L212 L214I199-A206 HydrophobicContact CD1-CB 3.76Å; I199-A206 HydrophobicContact CG1-CB 4.15Å; I199-A206 WeakPolarHBondContact CG2-O 3.42Å; A206-A208 PolarHBondContact O-N 2.86Å; A206-L212 WeakPolarHBondContact CB-O 3.24Å; A206-L214 HydrophobicContact CB-CD2 3.53Å; A206-L214 HydrophobicContact CB-CG 3.76Å
207N90.8Very high91.6Very high79 Ų7951.9 Ų51.942%0.42228%0.283SS..  trans-75.2113.2172-175.6-45.3000110.3V209 T210 L211 L212N207-V209 PolarHBondContact O-N 2.92Å; N207-V209 VanDerWaalsContact O-N 3.12Å; N207-V209 WeakPolarHBondContact OD1-CA 3.48Å; N207-V209 WeakPolarHBondContact OD1-CB 3.26Å; N207-V209 PolarHBondContact OD1-N 3.46Å; N207-T210 WeakPolarHBondContact CB-OG1 3.29Å; N207-T210 VanDerWaalsContact CG-OG1 3.25Å; N207-T210 PolarHBondContact O-N 3.26Å; N207-T210 PolarHBondContact OD1-N 2.91Å; N207-T210 VanDerWaalsContact OD1-N 3.16Å; N207-T210 PolarHBondContact OD1-OG1 3.08Å; N207-L211 WeakPolarHBondContact O-CA 3.22Å; N207-L211 PolarHBondContact O-N 3.21Å; N207-L212 PolarHBondContact N-O 3.15Å
208A87.9Confident91.3Very high25 Ų2554.9 Ų54.921%0.20730%0.299CS..THydrogen-bonded Turntrans-63-18-177.800000115K196 I199 A206K196-A208 HydrophobicContact CG-CB 4.32Å; I199-A208 HydrophobicContact CB-CB 4.38Å; I199-A208 HydrophobicContact CG2-CB 3.83Å; A206-A208 PolarHBondContact O-N 2.86Å
209V86.3Confident91.1Very high129 Ų12956.6 Ų56.678%0.78231%0.308SS*.THydrogen-bonded Turntrans-89.9-47.6180-177.90000111N207N207-V209 PolarHBondContact O-N 2.92Å; N207-V209 VanDerWaalsContact O-N 3.12Å; N207-V209 WeakPolarHBondContact OD1-CA 3.48Å; N207-V209 WeakPolarHBondContact OD1-CB 3.26Å; N207-V209 PolarHBondContact OD1-N 3.46Å
210T88.7Confident91.1Very high68 Ų6856 Ų5642%0.41731%0.305SS..THydrogen-bonded Turntrans-92.4-14.1-177.658.20000113.5N207 L212N207-T210 WeakPolarHBondContact CB-OG1 3.29Å; N207-T210 VanDerWaalsContact CG-OG1 3.25Å; N207-T210 PolarHBondContact O-N 3.26Å; N207-T210 PolarHBondContact OD1-N 2.91Å; N207-T210 VanDerWaalsContact OD1-N 3.16Å; N207-T210 PolarHBondContact OD1-OG1 3.08Å; T210-L212 PolarHBondContact O-N 3.1Å; T210-L212 PolarHBondContact OG1-N 2.98Å
211L92.5Very high91Very high16 Ų1653.8 Ų53.88%0.08430%0.299CS..  trans57.320.7-169.3-50.9-174.6000114N145 T192 V195 K196 I199 N207N145-L211 PolarHBondContact ND2-O 3.38Å; N145-L211 PolarHBondContact OD1-O 3.32Å; T192-L211 HydrophobicContact CG2-CD1 3.85Å; V195-L211 HydrophobicContact CB-CD1 4.14Å; V195-L211 HydrophobicContact CB-CD2 4.4Å; V195-L211 HydrophobicContact CG1-CD1 4.13Å; V195-L211 HydrophobicContact CG1-CD2 3.99Å; V195-L211 HydrophobicContact CG1-CG 4.48Å; K196-L211 HydrophobicContact CB-CD2 4.3Å; I199-L211 HydrophobicContact CD1-CD2 3.8Å; N207-L211 WeakPolarHBondContact O-CA 3.22Å; N207-L211 PolarHBondContact O-N 3.21Å
212L92.9Very high91Very high39 Ų3954 Ų5420%0.20430%0.3CS..  trans-92.7152.1176.9-67.5175.4000111.5H144 N145 E148 A206 N207 T210H144-L212 VanDerWaalsContact CD2-CD2 3.44Å; H144-L212 WeakPolarHBondContact CD2-CD2 3.26Å; N145-L212 WeakPolarHBondContact OD1-CA 3.45Å; E148-L212 HydrophobicContact CB-CD1 4.29Å; E148-L212 HydrophobicContact CB-CD2 4.17Å; E148-L212 HydrophobicContact CG-CD1 4.04Å; E148-L212 HydrophobicContact CG-CD2 4.14Å; A206-L212 WeakPolarHBondContact CB-O 3.24Å; N207-L212 PolarHBondContact N-O 3.15Å; T210-L212 PolarHBondContact O-N 3.1Å; T210-L212 PolarHBondContact OG1-N 2.98Å
213G90.4Very high91.1Very high7 Ų746.1 Ų46.17%0.07226%0.263CS..  trans99.54.8178.100000114.5N145 L215 D216 N219N145-G213 PolarHBondContact OD1-N 3.06Å; G213-L215 PolarHBondContact O-N 3.4Å; G213-D216 VanDerWaalsContact CA-CG 3.45Å; G213-D216 WeakPolarHBondContact CA-OD2 3.36Å; G213-D216 PolarHBondContact O-N 3.07Å; G213-N219 WeakPolarHBondContact O-CB 3.44Å; G213-N219 PolarHBondContact O-ND2 2.84Å
214L92.9Very high91.2Very high0 Ų046.5 Ų46.50%026%0.264CS..THydrogen-bonded Turntrans-62.5-30.4177.1-68.9171000112.2T141 N145 V195 L204 A206 N223T141-L214 HydrophobicContact CG2-CD1 3.98Å; N145-L214 WeakPolarHBondContact OD1-CB 3.46Å; N145-L214 PolarHBondContact OD1-N 3.43Å; V195-L214 HydrophobicContact CG1-CD1 4.42Å; L204-L214 HydrophobicContact CB-CD2 4.09Å; L204-L214 HydrophobicContact CD1-CD2 4.01Å; L204-L214 HydrophobicContact CG-CD2 4.5Å; A206-L214 HydrophobicContact CB-CD2 3.53Å; A206-L214 HydrophobicContact CB-CG 3.76Å; L214-N223 PolarHBondContact O-ND2 3Å
215L91.6Very high91.2Very high0 Ų051 Ų510%029%0.288CS..THydrogen-bonded Turntrans-113.714-174.3-52.6175.6000112.7L106 F109 I142 N145 L146 R151 G213 F220L106-L215 HydrophobicContact CD1-CD1 4.27Å; L106-L215 HydrophobicContact CD1-CD2 4.07Å; F109-L215 HydrophobicContact CD1-CD2 3.74Å; F109-L215 HydrophobicContact CE1-CD2 3.67Å; I142-L215 HydrophobicContact CD1-CD1 4.33Å; I142-L215 HydrophobicContact CD1-CD2 4.38Å; I142-L215 HydrophobicContact CG2-CD1 4.01Å; N145-L215 HydrophobicContact CB-CB 4.47Å; N145-L215 HydrophobicContact CB-CD1 3.75Å; N145-L215 HydrophobicContact CB-CG 4.01Å; L146-L215 HydrophobicContact CD1-CD1 4.35Å; L146-L215 HydrophobicContact CD2-CD1 3.87Å; L146-L215 HydrophobicContact CG-CD1 3.61Å; R151-L215 WeakPolarHBondContact CD-O 3.19Å; R151-L215 PolarHBondContact NH1-O 3.35Å; G213-L215 PolarHBondContact O-N 3.4Å; L215-F220 HydrophobicContact CD2-CD2 3.76Å; L215-F220 HydrophobicContact CD2-CE2 3.91Å
216D89.5Confident91.2Very high63 Ų6349.5 Ų49.534%0.33728%0.281SS..  trans-65.9153.8177-71.4-7.1000110.7G213 D218 N219 F220G213-D216 VanDerWaalsContact CA-CG 3.45Å; G213-D216 WeakPolarHBondContact CA-OD2 3.36Å; G213-D216 PolarHBondContact O-N 3.07Å; D216-D218 PolarHBondContact O-N 3.1Å; D216-N219 HydrophobicContact CB-CB 4.45Å; D216-N219 PolarHBondContact O-N 3.32Å; D216-N219 VanDerWaalsContact O-N 3.14Å; D216-F220 WeakPolarHBondContact O-CB 3.33Å; D216-F220 PolarHBondContact O-N 2.99Å
217H83.7Confident91.3Very high100 Ų10048.5 Ų48.546%0.46327%0.272SS..THydrogen-bonded Turntrans-54.5-42-177.4-168.889.5000112.6R151R151-H217 PolarHBondContact NH2-ND1 3.24Å
218D85.8Confident91.5Very high137 Ų13746.9 Ų46.973%0.73326%0.264SS*.THydrogen-bonded Turntrans-78.4-22.5-176.4-57.1-32.4000113.2D216D216-D218 PolarHBondContact O-N 3.1Å
219N90.6Very high91.8Very high36 Ų3649.6 Ų49.619%0.19328%0.275CS..THydrogen-bonded Turntrans-104.1-27.6-171.6-60.3-26.2000113.4T205 G213 D216 T221 D222 N223T205-N219 HydrophobicContact CG2-CB 4.38Å; T205-N219 WeakPolarHBondContact CG2-OD1 3.25Å; G213-N219 WeakPolarHBondContact O-CB 3.44Å; G213-N219 PolarHBondContact O-ND2 2.84Å; D216-N219 HydrophobicContact CB-CB 4.45Å; D216-N219 PolarHBondContact O-N 3.32Å; D216-N219 VanDerWaalsContact O-N 3.14Å; N219-T221 PolarHBondContact O-N 3.03Å; N219-D222 PolarHBondContact O-N 3.11Å; N219-N223 VanDerWaalsContact O-CB 3.31Å; N219-N223 WeakPolarHBondContact O-CB 3.21Å; N219-N223 PolarHBondContact O-N 3.34Å; N219-N223 PolarHBondContact O-ND2 2.8Å
220F93.3Very high92.1Very high1 Ų145.4 Ų45.40%0.00425%0.247CC..Hα-helixtrans-61-47.4-165.4175.8-95.4000113.8F101 F109 L215 D216 D222 N223 L224F101-F220 AromaticContact CD2-CD1 3.5Å; F101-F220 HydrophobicContact CD2-CD1 3.5Å; F101-F220 VanDerWaalsContact CD2-CD1 3.5Å; F101-F220 AromaticContact CD2-CD2 3.86Å; F101-F220 HydrophobicContact CD2-CD2 3.86Å; F101-F220 AromaticContact CD2-CE1 3.49Å; F101-F220 HydrophobicContact CD2-CE1 3.49Å; F101-F220 VanDerWaalsContact CD2-CE1 3.49Å; F101-F220 AromaticContact CD2-CE2 3.86Å; F101-F220 HydrophobicContact CD2-CE2 3.86Å; F101-F220 AromaticContact CD2-CG 3.67Å; F101-F220 HydrophobicContact CD2-CG 3.67Å; F101-F220 AromaticContact CD2-CZ 3.66Å; F101-F220 HydrophobicContact CD2-CZ 3.66Å; F101-F220 HydrophobicContact CE2-CD1 4.17Å; F101-F220 AromaticContact CE2-CD2 3.65Å; F101-F220 HydrophobicContact CE2-CD2 3.65Å; F101-F220 HydrophobicContact CE2-CE1 4.09Å; F101-F220 AromaticContact CE2-CE2 3.56Å; F101-F220 HydrophobicContact CE2-CE2 3.56Å; F101-F220 AromaticContact CE2-CG 3.94Å; F101-F220 HydrophobicContact CE2-CG 3.94Å; F101-F220 AromaticContact CE2-CZ 3.78Å; F101-F220 HydrophobicContact CE2-CZ 3.78Å; F101-F220 HydrophobicContact CG-CD1 4.5Å; F109-F220 HydrophobicContact CB-CE2 3.88Å; F109-F220 HydrophobicContact CB-CZ 4.14Å; F109-F220 HydrophobicContact CD1-CE2 4.32Å; F109-F220 HydrophobicContact CD2-CE2 4.31Å; F109-F220 AromaticContact CG-CE2 3.91Å; F109-F220 HydrophobicContact CG-CE2 3.91Å; L215-F220 HydrophobicContact CD2-CD2 3.76Å; L215-F220 HydrophobicContact CD2-CE2 3.91Å; D216-F220 WeakPolarHBondContact O-CB 3.33Å; D216-F220 PolarHBondContact O-N 2.99Å; F220-D222 PolarHBondContact O-N 2.95Å; F220-N223 PolarHBondContact O-N 2.9Å; F220-L224 HydrophobicContact CE1-CB 4.48Å; F220-L224 HydrophobicContact CE1-CD2 4Å; F220-L224 HydrophobicContact CZ-CD2 4.14Å; F220-L224 WeakPolarHBondContact O-CB 3.42Å; F220-L224 PolarHBondContact O-N 3.27Å
221T91.2Very high92.3Very high49 Ų4942.2 Ų42.230%0.30123%0.228SC..Hα-helixtrans-62.7-43.8-176.7-55.60000111.1N219 L224 N225N219-T221 PolarHBondContact O-N 3.03Å; T221-L224 PolarHBondContact O-N 3.42Å; T221-N225 VanDerWaalsContact O-CG 3.32Å; T221-N225 PolarHBondContact O-N 2.95Å; T221-N225 PolarHBondContact O-ND2 3.25Å
222D92.6Very high92.2Very high104 Ų10444 Ų4456%0.55624%0.237SC*.Hα-helixtrans-66.3-42.1176.6-70.6-14.8000111.6N219 F220 L224 N225 S226N219-D222 PolarHBondContact O-N 3.11Å; F220-D222 PolarHBondContact O-N 2.95Å; D222-L224 PolarHBondContact O-N 2.74Å; D222-N225 PolarHBondContact O-N 2.81Å; D222-S226 WeakPolarHBondContact O-CB 3.26Å; D222-S226 PolarHBondContact O-N 3.44Å
223N95.8Very high92Very high1 Ų146.3 Ų46.31%0.00525%0.246CC..Hα-helixtrans-61.2-43.1176.5-75.1-13.4000112.1F109 L204 T205 L214 N219 F220 I227F109-N223 HydrophobicContact CE2-CB 3.97Å; F109-N223 HydrophobicContact CZ-CB 4.48Å; L204-N223 HydrophobicContact CD2-CB 3.96Å; T205-N223 PolarHBondContact N-OD1 3.25Å; T205-N223 PolarHBondContact O-ND2 2.95Å; L214-N223 PolarHBondContact O-ND2 3Å; N219-N223 VanDerWaalsContact O-CB 3.31Å; N219-N223 WeakPolarHBondContact O-CB 3.21Å; N219-N223 PolarHBondContact O-N 3.34Å; N219-N223 PolarHBondContact O-ND2 2.8Å; F220-N223 PolarHBondContact O-N 2.9Å; N223-I227 WeakPolarHBondContact O-CB 3.27Å; N223-I227 VanDerWaalsContact O-CG2 3.25Å; N223-I227 WeakPolarHBondContact O-CG2 3.26Å; N223-I227 PolarHBondContact O-N 3.02Å
224L95.5Very high91.7Very high30 Ų3047.2 Ų47.216%0.15725%0.249CC..Hα-helixtrans-63.8-45.6177.2176.158.9000111.6F109 F220 T221 D222 I227 N228F109-L224 HydrophobicContact CB-CD1 3.97Å; F109-L224 HydrophobicContact CD2-CB 4.19Å; F109-L224 HydrophobicContact CD2-CD1 4.17Å; F220-L224 HydrophobicContact CE1-CB 4.48Å; F220-L224 HydrophobicContact CE1-CD2 4Å; F220-L224 HydrophobicContact CZ-CD2 4.14Å; F220-L224 WeakPolarHBondContact O-CB 3.42Å; F220-L224 PolarHBondContact O-N 3.27Å; T221-L224 PolarHBondContact O-N 3.42Å; D222-L224 PolarHBondContact O-N 2.74Å; L224-I227 WeakPolarHBondContact O-CG2 3.47Å; L224-N228 WeakPolarHBondContact O-CB 3.47Å; L224-N228 PolarHBondContact O-N 3.12Å; L224-N228 VanDerWaalsContact O-N 3.13Å
225N94.9Very high91.4Very high95 Ų9547.7 Ų47.751%0.50825%0.252SS..Hα-helixtrans-65.4-45.5178.3-70.9-27000111.7T221 D222 N228 D229T221-N225 VanDerWaalsContact O-CG 3.32Å; T221-N225 PolarHBondContact O-N 2.95Å; T221-N225 PolarHBondContact O-ND2 3.25Å; D222-N225 PolarHBondContact O-N 2.81Å; N225-N228 PolarHBondContact O-N 3.08Å; N225-D229 PolarHBondContact O-N 3.31Å
226S95.6Very high90.9Very high39 Ų3954.3 Ų54.327%0.27329%0.286SS..Hα-helixtrans-66.4-42.7-178.1-177.70000112.9V203 D222 N228 D229 M230V203-S226 WeakPolarHBondContact O-CB 3.29Å; V203-S226 PolarHBondContact O-OG 3.22Å; D222-S226 WeakPolarHBondContact O-CB 3.26Å; D222-S226 PolarHBondContact O-N 3.44Å; S226-N228 VanDerWaalsContact C-N 3.34Å; S226-D229 PolarHBondContact O-N 3.41Å; S226-M230 WeakPolarHBondContact O-CB 3.35Å; S226-M230 PolarHBondContact O-N 2.71Å
227I95.5Very high90.4Very high0 Ų061 Ų610%031%0.307CS..Hα-helixtrans-69.2-34.7177-160.464.4000111.9F109 I112 L113 T116 L198 L204 N223 L224 M230 Y231F109-I227 HydrophobicContact CD2-CG2 4.08Å; F109-I227 HydrophobicContact CE2-CG2 4.07Å; I112-I227 HydrophobicContact CB-CG2 4.48Å; I112-I227 HydrophobicContact CG2-CG1 4.18Å; I112-I227 HydrophobicContact CG2-CG2 3.92Å; L113-I227 HydrophobicContact CD1-CD1 4.12Å; L113-I227 HydrophobicContact CD1-CG1 4.25Å; T116-I227 HydrophobicContact CG2-CD1 3.96Å; L198-I227 HydrophobicContact CD1-CD1 4.13Å; L204-I227 HydrophobicContact CD2-CB 4.23Å; N223-I227 WeakPolarHBondContact O-CB 3.27Å; N223-I227 VanDerWaalsContact O-CG2 3.25Å; N223-I227 WeakPolarHBondContact O-CG2 3.26Å; N223-I227 PolarHBondContact O-N 3.02Å; L224-I227 WeakPolarHBondContact O-CG2 3.47Å; I227-M230 HydrophobicContact CD1-SD 4.46Å; I227-M230 PolarHBondContact O-N 3.16Å; I227-Y231 WeakPolarHBondContact O-CB 3.29Å; I227-Y231 PolarHBondContact O-N 2.93Å
228N94.5Very high90.1Very high45 Ų4561.7 Ų61.724%0.24131%0.305CS..Hα-helixtrans-66.6-42175-170.434.6000111.6I112 L224 N225 S226 Y231 L232 R244I112-N228 HydrophobicContact CD1-CB 4.23Å; L224-N228 WeakPolarHBondContact O-CB 3.47Å; L224-N228 PolarHBondContact O-N 3.12Å; L224-N228 VanDerWaalsContact O-N 3.13Å; N225-N228 PolarHBondContact O-N 3.08Å; S226-N228 VanDerWaalsContact C-N 3.34Å; N228-Y231 PolarHBondContact O-N 3.41Å; N228-L232 WeakPolarHBondContact O-CB 3.39Å; N228-L232 WeakPolarHBondContact O-CG 3.23Å; N228-L232 PolarHBondContact O-N 2.76Å; N228-R244 WeakPolarHBondContact OD1-CD 3.3Å; N228-R244 PolarHBondContact OD1-NH1 2.85Å
229D93.4Very high89.6Confident83 Ų8357.2 Ų57.244%0.44429%0.292SS..Hα-helixtrans-63.9-45.6173.8-17566.7000111.6N225 S226 Y231 L232 Q233N225-D229 PolarHBondContact O-N 3.31Å; S226-D229 PolarHBondContact O-N 3.41Å; D229-Y231 VanDerWaalsContact C-N 3.31Å; D229-Y231 PolarHBondContact O-N 3.03Å; D229-L232 WeakPolarHBondContact O-CB 3.19Å; D229-L232 PolarHBondContact O-N 2.92Å; D229-Q233 WeakPolarHBondContact O-CG 3.46Å; D229-Q233 PolarHBondContact O-N 3.14Å; D229-Q233 PolarHBondContact OD2-NE2 3.46Å
230M92.4Very high89.2Confident41 Ų4156.8 Ų56.820%0.20229%0.289CS..Hα-helixtrans-58.3-43.8174.8173.8173.6-76.700112T116 L198 V203 S226 I227 Q233 M234T116-M230 HydrophobicContact CG2-CG 4.06Å; T116-M230 HydrophobicContact CG2-SD 3.89Å; L198-M230 HydrophobicContact CD2-CE 3.71Å; L198-M230 HydrophobicContact CD2-SD 3.38Å; L198-M230 WeakPolarHBondContact CD2-SD 3.09Å; V203-M230 HydrophobicContact CB-CE 3.91Å; V203-M230 HydrophobicContact CG1-CB 4.32Å; V203-M230 HydrophobicContact CG1-CE 3.53Å; V203-M230 HydrophobicContact CG1-SD 3.99Å; V203-M230 HydrophobicContact CG2-CE 3.26Å; S226-M230 WeakPolarHBondContact O-CB 3.35Å; S226-M230 PolarHBondContact O-N 2.71Å; I227-M230 HydrophobicContact CD1-SD 4.46Å; I227-M230 PolarHBondContact O-N 3.16Å; M230-Q233 PolarHBondContact O-N 3.08Å; M230-M234 WeakPolarHBondContact O-CB 3.3Å; M230-M234 PolarHBondContact O-N 3.33Å
231Y93.7Very high88.7Confident1 Ų156.9 Ų56.90%0.00429%0.29CS..Hα-helixtrans-60-47.6177.1175.7-96.2000111.2I112 I227 N228 D229 Q233 M234 L235 D242 E243 R244I112-Y231 HydrophobicContact CG2-CG 4.25Å; I227-Y231 WeakPolarHBondContact O-CB 3.29Å; I227-Y231 PolarHBondContact O-N 2.93Å; N228-Y231 PolarHBondContact O-N 3.41Å; D229-Y231 VanDerWaalsContact C-N 3.31Å; D229-Y231 PolarHBondContact O-N 3.03Å; Y231-Q233 PolarHBondContact O-N 3.36Å; Y231-M234 HydrophobicContact CD2-CE 3.85Å; Y231-M234 HydrophobicContact CE2-CE 4.08Å; Y231-M234 WeakPolarHBondContact O-CB 3.32Å; Y231-M234 PolarHBondContact O-N 2.88Å; Y231-L235 WeakPolarHBondContact O-CB 3.44Å; Y231-L235 PolarHBondContact O-N 3.39Å; Y231-D242 WeakPolarHBondContact CE1-OD1 3.46Å; Y231-E243 WeakPolarHBondContact OH-CB 3.22Å; Y231-E243 PolarHBondContact OH-N 2.91Å; Y231-R244 HydrophobicContact CD1-CG 4.16Å; Y231-R244 HydrophobicContact CE1-CG 3.79Å
232L91.5Very high88.5Confident54 Ų5454.6 Ų54.628%0.28328%0.276SS..Hα-helixtrans-59.3-45.3176.2-80174000112.2N228 D229 M234 L235 L236 R244N228-L232 WeakPolarHBondContact O-CB 3.39Å; N228-L232 WeakPolarHBondContact O-CG 3.23Å; N228-L232 PolarHBondContact O-N 2.76Å; D229-L232 WeakPolarHBondContact O-CB 3.19Å; D229-L232 PolarHBondContact O-N 2.92Å; L232-M234 VanDerWaalsContact C-N 3.31Å; L232-M234 PolarHBondContact O-N 3.01Å; L232-L235 WeakPolarHBondContact O-CB 3.33Å; L232-L235 PolarHBondContact O-N 3.41Å; L232-L236 WeakPolarHBondContact O-CG 3.27Å; L232-L236 PolarHBondContact O-N 3.49Å; L232-R244 VanDerWaalsContact CD2-CZ 3.46Å
233Q87Confident88.4Confident86 Ų8649.7 Ų49.740%0.40225%0.249SC..Hα-helixtrans-61.9-40.5176.1-69.7-17329.700111.8D229 M230 Y231 R237D229-Q233 WeakPolarHBondContact O-CG 3.46Å; D229-Q233 PolarHBondContact O-N 3.14Å; D229-Q233 PolarHBondContact OD2-NE2 3.46Å; M230-Q233 PolarHBondContact O-N 3.08Å; Y231-Q233 PolarHBondContact O-N 3.36Å; Q233-R237 WeakPolarHBondContact O-CB 3.3Å; Q233-R237 VanDerWaalsContact O-CG 3.27Å; Q233-R237 WeakPolarHBondContact O-CG 3.42Å; Q233-R237 PolarHBondContact O-N 3.01Å
234M85.2Confident88.2Confident27 Ų2750.9 Ų50.913%0.13325%0.254CS..Hα-helixtrans-64.4-42.7175.6-178.1-173.96700111.3K119 M230 Y231 L232 R237 R238K119-M234 HydrophobicContact CB-CE 3.71Å; K119-M234 HydrophobicContact CB-SD 4.01Å; K119-M234 HydrophobicContact CD-CE 4.01Å; K119-M234 HydrophobicContact CG-CE 4.39Å; M230-M234 WeakPolarHBondContact O-CB 3.3Å; M230-M234 PolarHBondContact O-N 3.33Å; Y231-M234 HydrophobicContact CD2-CE 3.85Å; Y231-M234 HydrophobicContact CE2-CE 4.08Å; Y231-M234 WeakPolarHBondContact O-CB 3.32Å; Y231-M234 PolarHBondContact O-N 2.88Å; L232-M234 VanDerWaalsContact C-N 3.31Å; L232-M234 PolarHBondContact O-N 3.01Å; M234-R237 PolarHBondContact O-N 2.88Å; M234-R238 WeakPolarHBondContact O-CB 3.3Å; M234-R238 WeakPolarHBondContact O-CG 3.19Å; M234-R238 PolarHBondContact O-N 2.91Å; M234-R238 VanDerWaalsContact O-N 3.07Å
235L85.3Confident87.8Confident9 Ų949.6 Ų49.65%0.04725%0.247CC..Hα-helixtrans-60.3-49.9177.7-170.676.3000111.1Y231 L232 R237 R238 G239 D240 L241 D242Y231-L235 WeakPolarHBondContact O-CB 3.44Å; Y231-L235 PolarHBondContact O-N 3.39Å; L232-L235 WeakPolarHBondContact O-CB 3.33Å; L232-L235 PolarHBondContact O-N 3.41Å; L235-R237 VanDerWaalsContact C-N 3.33Å; L235-R237 PolarHBondContact O-N 3.08Å; L235-R238 PolarHBondContact O-N 3.43Å; L235-G239 PolarHBondContact O-N 3.36Å; L235-D240 HydrophobicContact CD1-CB 4.11Å; L235-D240 WeakPolarHBondContact CD1-O 3.49Å; L235-L241 WeakPolarHBondContact CD1-O 3.35Å; L235-D242 HydrophobicContact CD2-CB 3.82Å
236L81.8Confident87.6Confident139 Ų13945.2 Ų45.273%0.72822%0.224SC*.Hα-helixtrans-63.7-35.7178.9-70.4172.3000112.7L232L232-L236 WeakPolarHBondContact O-CG 3.27Å; L232-L236 PolarHBondContact O-N 3.49Å
237R78.8Confident87.3Confident204 Ų20445 Ų4577%0.7722%0.219SC*.Hα-helixtrans-70.7-32.3176.4-75.6179-172174.28113.1Q233 M234 L235Q233-R237 WeakPolarHBondContact O-CB 3.3Å; Q233-R237 VanDerWaalsContact O-CG 3.27Å; Q233-R237 WeakPolarHBondContact O-CG 3.42Å; Q233-R237 PolarHBondContact O-N 3.01Å; M234-R237 PolarHBondContact O-N 2.88Å; L235-R237 VanDerWaalsContact C-N 3.33Å; L235-R237 PolarHBondContact O-N 3.08Å
238R77.9Confident86.8Confident114 Ų11447.6 Ų47.643%0.4323%0.233SC..Hα-helixtrans-93.1-27.4-177.3-71.8-174.7174.3-168.42114K119 M234 L235 D240K119-R238 PolarHBondContact O-NH1 3.05Å; K119-R238 PolarHBondContact O-NH2 2.78Å; M234-R238 WeakPolarHBondContact O-CB 3.3Å; M234-R238 WeakPolarHBondContact O-CG 3.19Å; M234-R238 PolarHBondContact O-N 2.91Å; M234-R238 VanDerWaalsContact O-N 3.07Å; L235-R238 PolarHBondContact O-N 3.43Å; R238-D240 HydrophobicContact CB-CB 4.26Å
239G75.1Confident86.1Confident43 Ų4350.1 Ų50.144%0.44325%0.252SS..THydrogen-bonded Turntrans69.836.7-172.400000113.1L235L235-G239 PolarHBondContact O-N 3.36Å
240D81.4Confident85.3Confident27 Ų2750.5 Ų50.514%0.14426%0.257CS..  trans-95.6171.3-175.5-154.14.2000111.2K119 L235 R238K119-D240 IonicContact NZ-OD1 3.81Å; K119-D240 IonicContact NZ-OD2 3.83Å; K119-D240 PolarHBondContact NZ-OD2 3.09Å; L235-D240 HydrophobicContact CD1-CB 4.11Å; L235-D240 WeakPolarHBondContact CD1-O 3.49Å; R238-D240 HydrophobicContact CB-CB 4.26Å
241L84.1Confident84.5Confident3 Ų349.7 Ų49.72%0.01625%0.254CS..  trans-76.4140.7176.6-71172.8000112.1M52 F56 L235 E243 L300 Y304M52-L241 HydrophobicContact CG-CB 4.46Å; M52-L241 HydrophobicContact CG-CD1 3.97Å; M52-L241 HydrophobicContact CG-CG 3.73Å; M52-L241 HydrophobicContact SD-CD2 4.41Å; M52-L241 HydrophobicContact SD-CG 3.84Å; F56-L241 HydrophobicContact CB-CD1 3.71Å; F56-L241 HydrophobicContact CD1-CD1 4.27Å; F56-L241 HydrophobicContact CD2-CB 3.76Å; F56-L241 HydrophobicContact CD2-CD1 3.73Å; F56-L241 HydrophobicContact CD2-CG 4.4Å; F56-L241 HydrophobicContact CE2-CB 4.3Å; F56-L241 HydrophobicContact CE2-CD1 4.43Å; F56-L241 HydrophobicContact CG-CB 4.48Å; F56-L241 HydrophobicContact CG-CD1 3.64Å; L235-L241 WeakPolarHBondContact CD1-O 3.35Å; L241-E243 PolarHBondContact O-N 2.91Å; L241-L300 HydrophobicContact CD2-CB 4.31Å; L241-Y304 HydrophobicContact CD1-CD1 4.38Å; L241-Y304 HydrophobicContact CD1-CG 4.33Å
242D87.5Confident83.5Confident1 Ų152.3 Ų52.31%0.00527%0.265CS..  trans-74.3108.2178.6-168.2-11.1000110.9Y231 L235 R244 V245Y231-D242 WeakPolarHBondContact CE1-OD1 3.46Å; L235-D242 HydrophobicContact CD2-CB 3.82Å; D242-R244 VanDerWaalsContact C-N 3.26Å; D242-R244 PolarHBondContact O-N 3.22Å; D242-R244 WeakPolarHBondContact OD1-CB 3.37Å; D242-R244 VanDerWaalsContact OD1-CG 3.3Å; D242-R244 WeakPolarHBondContact OD1-CG 3.36Å; D242-R244 IonicContact OD1-CZ 3.76Å; D242-R244 PolarHBondContact OD1-N 3.32Å; D242-R244 IonicContact OD1-NE 3.94Å; D242-R244 PolarHBondContact OD1-NE 3.12Å; D242-R244 IonicContact OD1-NH2 3.16Å; D242-R244 IonicContact OD2-CZ 3.93Å; D242-R244 IonicContact OD2-NE 2.71Å; D242-R244 PolarHBondContact OD2-NE 2.83Å; D242-R244 VanDerWaalsContact OD2-NE 3.16Å; D242-R244 IonicContact OD2-NH2 2.56Å; D242-R244 PolarHBondContact OD2-NH2 3.12Å; D242-V245 WeakPolarHBondContact O-CB 3.38Å; D242-V245 WeakPolarHBondContact O-CG1 3.44Å; D242-V245 PolarHBondContact O-N 3.4Å
243E89.4Confident82.5Confident1 Ų155.7 Ų55.71%0.00528%0.28CS..G310 helixtrans-79.8-6.8-179.9-64.3179.4-178.500112.6S59 W111 S115 R118 K119 Y231 L241 V245 F246S59-E243 WeakPolarHBondContact CB-OE1 3.18Å; S59-E243 PolarHBondContact OG-OE1 3.09Å; W111-E243 HydrophobicContact CZ2-CB 4.46Å; W111-E243 PolarHBondContact NE1-O 3.13Å; S115-E243 PolarHBondContact OG-OE2 3.31Å; R118-E243 VanDerWaalsContact NH2-CD 3.26Å; R118-E243 IonicContact NH2-OE1 3.73Å; R118-E243 PolarHBondContact NH2-OE1 3.24Å; R118-E243 IonicContact NH2-OE2 2.74Å; R118-E243 PolarHBondContact NH2-OE2 2.93Å; K119-E243 WeakPolarHBondContact CE-OE1 3.13Å; K119-E243 WeakPolarHBondContact CE-OE2 3.12Å; K119-E243 IonicContact NZ-OE1 3.85Å; K119-E243 PolarHBondContact NZ-OE1 3Å; K119-E243 IonicContact NZ-OE2 2.7Å; Y231-E243 WeakPolarHBondContact OH-CB 3.22Å; Y231-E243 PolarHBondContact OH-N 2.91Å; L241-E243 PolarHBondContact O-N 2.91Å; E243-V245 PolarHBondContact O-N 3.39Å; E243-F246 HydrophobicContact CB-CD2 4.1Å; E243-F246 HydrophobicContact CB-CE2 4.06Å; E243-F246 HydrophobicContact CG-CE2 4.14Å; E243-F246 WeakPolarHBondContact O-CD2 3.36Å; E243-F246 PolarHBondContact O-N 3.4Å
244R90.8Very high81.6Confident27 Ų2757.1 Ų57.110%0.10229%0.287CS..G310 helixtrans-67.9-16.4171-59.1174.1-58.8159.714.5111.5I112 N228 Y231 L232 D242 F246 L247I112-R244 HydrophobicContact CD1-CG 4.47Å; I112-R244 HydrophobicContact CG1-CG 4.11Å; N228-R244 WeakPolarHBondContact OD1-CD 3.3Å; N228-R244 PolarHBondContact OD1-NH1 2.85Å; Y231-R244 HydrophobicContact CD1-CG 4.16Å; Y231-R244 HydrophobicContact CE1-CG 3.79Å; L232-R244 VanDerWaalsContact CD2-CZ 3.46Å; D242-R244 VanDerWaalsContact C-N 3.26Å; D242-R244 PolarHBondContact O-N 3.22Å; D242-R244 WeakPolarHBondContact OD1-CB 3.37Å; D242-R244 VanDerWaalsContact OD1-CG 3.3Å; D242-R244 WeakPolarHBondContact OD1-CG 3.36Å; D242-R244 IonicContact OD1-CZ 3.76Å; D242-R244 PolarHBondContact OD1-N 3.32Å; D242-R244 IonicContact OD1-NE 3.94Å; D242-R244 PolarHBondContact OD1-NE 3.12Å; D242-R244 IonicContact OD1-NH2 3.16Å; D242-R244 IonicContact OD2-CZ 3.93Å; D242-R244 IonicContact OD2-NE 2.71Å; D242-R244 PolarHBondContact OD2-NE 2.83Å; D242-R244 VanDerWaalsContact OD2-NE 3.16Å; D242-R244 IonicContact OD2-NH2 2.56Å; D242-R244 PolarHBondContact OD2-NH2 3.12Å; R244-F246 PolarHBondContact O-N 2.97Å; R244-F246 VanDerWaalsContact O-N 3.1Å; R244-L247 HydrophobicContact CB-CD1 4.34Å; R244-L247 VanDerWaalsContact O-CB 3.28Å; R244-L247 WeakPolarHBondContact O-CB 3.37Å; R244-L247 PolarHBondContact O-N 3.38Å
245V88.7Confident80.6Confident3 Ų356.3 Ų56.32%0.01828%0.283CS..G310 helixtrans-52.6-30.6172.576.60000112.7F56 D242 E243 L247 D248 V251 I255 L297F56-V245 HydrophobicContact CE2-CG1 3.98Å; F56-V245 HydrophobicContact CZ-CG1 4.04Å; D242-V245 WeakPolarHBondContact O-CB 3.38Å; D242-V245 WeakPolarHBondContact O-CG1 3.44Å; D242-V245 PolarHBondContact O-N 3.4Å; E243-V245 PolarHBondContact O-N 3.39Å; V245-L247 PolarHBondContact O-N 2.94Å; V245-D248 PolarHBondContact O-N 2.81Å; V245-V251 HydrophobicContact CG2-CB 4.15Å; V245-V251 HydrophobicContact CG2-CG1 3.32Å; V245-I255 HydrophobicContact CG1-CD1 4.14Å; V245-I255 HydrophobicContact CG2-CD1 3.57Å; V245-L297 HydrophobicContact CG2-CD2 4.26Å
246F89.6Confident79.4Confident3 Ų356.6 Ų56.61%0.01328%0.284CS..G310 helixtrans-70-20.6178.1-60.5-59.9000113.6F56 Y63 W111 E243 R244 D248F56-F246 HydrophobicContact CD2-CE2 4.48Å; F56-F246 HydrophobicContact CD2-CZ 4.11Å; F56-F246 HydrophobicContact CE1-CE1 4.46Å; F56-F246 HydrophobicContact CE1-CZ 4.18Å; F56-F246 HydrophobicContact CE2-CE1 4.3Å; F56-F246 HydrophobicContact CE2-CE2 4.01Å; F56-F246 AromaticContact CE2-CZ 3.56Å; F56-F246 HydrophobicContact CE2-CZ 3.56Å; F56-F246 AromaticContact CZ-CE1 3.92Å; F56-F246 HydrophobicContact CZ-CE1 3.92Å; F56-F246 HydrophobicContact CZ-CE2 4.44Å; F56-F246 AromaticContact CZ-CZ 3.6Å; F56-F246 HydrophobicContact CZ-CZ 3.6Å; Y63-F246 HydrophobicContact CD1-CB 3.68Å; Y63-F246 HydrophobicContact CD1-CD1 4.45Å; Y63-F246 HydrophobicContact CD1-CG 4.22Å; Y63-F246 HydrophobicContact CD2-CB 3.53Å; Y63-F246 HydrophobicContact CD2-CD2 4.48Å; Y63-F246 HydrophobicContact CD2-CG 4.21Å; Y63-F246 HydrophobicContact CE1-CB 3.78Å; Y63-F246 WeakPolarHBondContact CE1-O 3.37Å; Y63-F246 HydrophobicContact CE2-CB 3.66Å; Y63-F246 HydrophobicContact CG-CB 3.53Å; Y63-F246 HydrophobicContact CG-CD1 4.44Å; Y63-F246 HydrophobicContact CG-CD2 4.36Å; Y63-F246 AromaticContact CG-CG 3.9Å; Y63-F246 HydrophobicContact CG-CG 3.9Å; Y63-F246 PolarHBondContact OH-O 3.36Å; W111-F246 AromaticContact CZ2-CD2 3.77Å; W111-F246 HydrophobicContact CZ2-CD2 3.77Å; W111-F246 HydrophobicContact CZ2-CE2 4.32Å; E243-F246 HydrophobicContact CB-CD2 4.1Å; E243-F246 HydrophobicContact CB-CE2 4.06Å; E243-F246 HydrophobicContact CG-CE2 4.14Å; E243-F246 WeakPolarHBondContact O-CD2 3.36Å; E243-F246 PolarHBondContact O-N 3.4Å; R244-F246 PolarHBondContact O-N 2.97Å; R244-F246 VanDerWaalsContact O-N 3.1Å; F246-D248 VanDerWaalsContact C-N 3.32Å
247L90.3Very high78.1Confident34 Ų3453.8 Ų53.818%0.17828%0.275CS..G310 helixtrans-74-24.1178.6-64.3170.5000112.3Y63 K107 W111 I112 R244 V245 P249Y63-L247 HydrophobicContact CE2-CD2 4.24Å; K107-L247 HydrophobicContact CG-CD2 4.32Å; W111-L247 HydrophobicContact CB-CD2 3.91Å; W111-L247 HydrophobicContact CG-CD2 4.19Å; W111-L247 HydrophobicContact CG-CG 4.49Å; I112-L247 HydrophobicContact CG1-CD1 4.48Å; R244-L247 HydrophobicContact CB-CD1 4.34Å; R244-L247 VanDerWaalsContact O-CB 3.28Å; R244-L247 WeakPolarHBondContact O-CB 3.37Å; R244-L247 PolarHBondContact O-N 3.38Å; V245-L247 PolarHBondContact O-N 2.94Å; L247-P249 WeakPolarHBondContact O-CD 3.34Å
248D85.2Confident76.5Confident54 Ų5451.6 Ų51.629%0.28927%0.273SS..  trans-83.6114.7175.5-172.2-39000110.3V245 F246 V250 V251 R252V245-D248 PolarHBondContact O-N 2.81Å; F246-D248 VanDerWaalsContact C-N 3.32Å; D248-V250 VanDerWaalsContact C-N 3.31Å; D248-V250 PolarHBondContact O-N 2.9Å; D248-V250 WeakPolarHBondContact OD1-CA 3.4Å; D248-V250 WeakPolarHBondContact OD1-CB 3.32Å; D248-V250 PolarHBondContact OD1-N 3.22Å; D248-V251 HydrophobicContact CB-CB 4.07Å; D248-V251 HydrophobicContact CB-CG2 3.99Å; D248-V251 PolarHBondContact O-N 3.02Å; D248-V251 PolarHBondContact OD1-N 3.36Å; D248-V251 VanDerWaalsContact OD1-N 3.16Å; D248-R252 VanDerWaalsContact O-CB 3.27Å; D248-R252 WeakPolarHBondContact O-CB 3.32Å; D248-R252 PolarHBondContact O-N 2.99Å
249P78.8Confident74.9Confident99 Ų9950 Ų5064%0.64327%0.272SS*.Hα-helixtrans-62.2-35.9179.7-21.233.4000113.6L247 M253L247-P249 WeakPolarHBondContact O-CD 3.34Å; P249-M253 PolarHBondContact O-N 2.96Å
250V77.2Confident73.1Confident90 Ų9050.1 Ų50.155%0.54527%0.274SS..Hα-helixtrans-68.7-48.1-178.1-179.60000109.5D248 M253 Q254D248-V250 VanDerWaalsContact C-N 3.31Å; D248-V250 PolarHBondContact O-N 2.9Å; D248-V250 WeakPolarHBondContact OD1-CA 3.4Å; D248-V250 WeakPolarHBondContact OD1-CB 3.32Å; D248-V250 PolarHBondContact OD1-N 3.22Å; V250-M253 PolarHBondContact O-N 3.43Å; V250-Q254 WeakPolarHBondContact O-CG 3.21Å; V250-Q254 PolarHBondContact O-N 3.1Å
251V76Confident70.9Confident24 Ų2452.8 Ų52.815%0.14529%0.288CS..Hα-helixtrans-68.7-37.2179.1-172.70000110.9V245 D248 M253 Q254 I255V245-V251 HydrophobicContact CG2-CB 4.15Å; V245-V251 HydrophobicContact CG2-CG1 3.32Å; D248-V251 HydrophobicContact CB-CB 4.07Å; D248-V251 HydrophobicContact CB-CG2 3.99Å; D248-V251 PolarHBondContact O-N 3.02Å; D248-V251 PolarHBondContact OD1-N 3.36Å; D248-V251 VanDerWaalsContact OD1-N 3.16Å; V251-M253 VanDerWaalsContact C-N 3.31Å; V251-M253 PolarHBondContact O-N 3.22Å; V251-Q254 WeakPolarHBondContact O-CB 3.26Å; V251-Q254 PolarHBondContact O-N 2.96Å; V251-Q254 VanDerWaalsContact O-N 3.11Å; V251-I255 HydrophobicContact CG1-CD1 3.74Å; V251-I255 HydrophobicContact CG1-CG1 4.2Å; V251-I255 WeakPolarHBondContact O-CG1 3.46Å; V251-I255 PolarHBondContact O-N 3.18Å
252R71.8Confident68.6Low57 Ų5759.8 Ų59.822%0.21533%0.326CS..Hα-helixtrans-58.3-42.9173.9-176.5-176.6178.5-162.90.7112.1D64 D248 Q254 I255 L256D64-R252 IonicContact OD1-NH2 3.76Å; D64-R252 PolarHBondContact OD1-NH2 3.25Å; D248-R252 VanDerWaalsContact O-CB 3.27Å; D248-R252 WeakPolarHBondContact O-CB 3.32Å; D248-R252 PolarHBondContact O-N 2.99Å; R252-Q254 VanDerWaalsContact C-N 3.26Å; R252-Q254 PolarHBondContact O-N 3.37Å; R252-I255 PolarHBondContact O-N 3.24Å; R252-L256 PolarHBondContact O-N 3.01Å
253M70.4Confident66.3Low124 Ų12467.9 Ų67.961%0.61136%0.358SS*.Hα-helixtrans-63.4-33.5177.7-167.7179.677.300112P249 V250 V251P249-M253 PolarHBondContact O-N 2.96Å; V250-M253 PolarHBondContact O-N 3.43Å; V251-M253 VanDerWaalsContact C-N 3.31Å; V251-M253 PolarHBondContact O-N 3.22Å
254Q68.3Low63.6Low117 Ų11775.6 Ų75.655%0.54739%0.394SS..Hα-helixtrans-72-41.7175.8-67.1175.4-0.900112.5V250 V251 R252V250-Q254 WeakPolarHBondContact O-CG 3.21Å; V250-Q254 PolarHBondContact O-N 3.1Å; V251-Q254 WeakPolarHBondContact O-CB 3.26Å; V251-Q254 PolarHBondContact O-N 2.96Å; V251-Q254 VanDerWaalsContact O-N 3.11Å; R252-Q254 VanDerWaalsContact C-N 3.26Å; R252-Q254 PolarHBondContact O-N 3.37Å
255I63.8Low60.5Low10 Ų1079 Ų795%0.05141%0.412CS..Hα-helixtrans-75.5-31.3-178.4-61.4172.9000111.6F56 V245 V251 R252 P309F56-I255 HydrophobicContact CE1-CG2 4.2Å; F56-I255 HydrophobicContact CZ-CG2 4.47Å; V245-I255 HydrophobicContact CG1-CD1 4.14Å; V245-I255 HydrophobicContact CG2-CD1 3.57Å; V251-I255 HydrophobicContact CG1-CD1 3.74Å; V251-I255 HydrophobicContact CG1-CG1 4.2Å; V251-I255 WeakPolarHBondContact O-CG1 3.46Å; V251-I255 PolarHBondContact O-N 3.18Å; R252-I255 PolarHBondContact O-N 3.24Å; I255-P309 HydrophobicContact CG2-CG 4.02Å; I255-P309 WeakPolarHBondContact O-CD 3.24Å
256L60.8Low57.5Low14 Ų1485.8 Ų85.87%0.07345%0.454CS..  trans-133.768.6-174.8-63.6164.9000112.4T60 R252 E258 L259T60-L256 HydrophobicContact CG2-CD1 3.43Å; T60-L256 VanDerWaalsContact CG2-CD1 3.43Å; T60-L256 HydrophobicContact CG2-CD2 3.75Å; T60-L256 HydrophobicContact CG2-CG 4.2Å; R252-L256 PolarHBondContact O-N 3.01Å; L256-E258 PolarHBondContact O-N 2.9Å; L256-L259 HydrophobicContact CB-CB 4.37Å; L256-L259 PolarHBondContact O-N 3.23Å
257P53.5Low54.6Low81 Ų8193.9 Ų93.953%0.52649%0.492SS..G310 helixtrans-62.3-30.5179.822.6-32.1000113L259 G260P257-L259 VanDerWaalsContact C-N 3.33Å; P257-L259 PolarHBondContact O-N 3.4Å; P257-G260 PolarHBondContact O-N 3.19Å
258E46.3Very low51.6Low158 Ų15897.1 Ų97.174%0.73852%0.517SS*.G310 helixtrans-74.8-16.8-178.9-64.6-170177.100114.4L256 G260L256-E258 PolarHBondContact O-N 2.9Å; E258-G260 VanDerWaalsContact C-N 3.26Å
259L43.3Very low48.6Very low79 Ų7999.6 Ų99.641%0.41454%0.539SS..G310 helixtrans-89.68.1171.9-95.785.9000112.5D64 L256 P257 N261D64-L259 HydrophobicContact CB-CD2 4.14Å; D64-L259 WeakPolarHBondContact OD1-CD2 3.24Å; L256-L259 HydrophobicContact CB-CB 4.37Å; L256-L259 PolarHBondContact O-N 3.23Å; P257-L259 VanDerWaalsContact C-N 3.33Å; P257-L259 PolarHBondContact O-N 3.4Å; L259-N261 PolarHBondContact O-N 2.97Å
260G37.5Very low46.4Very low46 Ų46102.6 Ų102.647%0.47455%0.548SS..THydrogen-bonded Turntrans-54.7105.2177.900000112.4P257 E258P257-G260 PolarHBondContact O-N 3.19Å; E258-G260 VanDerWaalsContact C-N 3.26Å
261N35.5Very low44Very low83 Ų83104.7 Ų104.744%0.44456%0.556SS.*THydrogen-bonded Turntrans79.331147.8-76.4-14.2000121.6L259 Y263 I265L259-N261 PolarHBondContact O-N 2.97Å; N261-Y263 PolarHBondContact O-N 3.27Å; N261-I265 HydrophobicContact CB-CD1 3.47Å; N261-I265 VanDerWaalsContact CB-CD1 3.47Å; N261-I265 HydrophobicContact CB-CG1 3.59Å; N261-I265 VanDerWaalsContact CG-CG1 3.48Å; N261-I265 WeakPolarHBondContact ND2-CD1 3.35Å; N261-I265 VanDerWaalsContact ND2-CG1 3.32Å; N261-I265 WeakPolarHBondContact ND2-CG1 3.42Å
262D34.9Very low41.8Very low150 Ų150109.7 Ų109.780%0.80258%0.582SS**SBendtrans-74.2-9.2163-86.3-13.9000114.1
263Y40.2Very low39.8Very low172 Ų172115 Ų11568%0.67561%0.608SS**SBendtrans-127-6.4-178.5-64.4-67.9000117.1F68 N261F68-Y263 HydrophobicContact CD2-CE1 4.44Å; N261-Y263 PolarHBondContact O-N 3.27Å
264E32Very low37.8Very low163 Ų163115.9 Ų115.976%0.76262%0.616SS**SBendtrans-14261.9175.9-72-173.4176.200113
265I27Very low36Very low97 Ų97114.2 Ų114.250%0.49762%0.617SS.*  trans-140.5106.3154.1-56.8174.7000110.4N261 E267N261-I265 HydrophobicContact CB-CD1 3.47Å; N261-I265 VanDerWaalsContact CB-CD1 3.47Å; N261-I265 HydrophobicContact CB-CG1 3.59Å; N261-I265 VanDerWaalsContact CG-CG1 3.48Å; N261-I265 WeakPolarHBondContact ND2-CD1 3.35Å; N261-I265 VanDerWaalsContact ND2-CG1 3.32Å; N261-I265 WeakPolarHBondContact ND2-CG1 3.42Å; I265-E267 HydrophobicContact CG2-CB 4.04Å; I265-E267 VanDerWaalsContact CG2-N 3.3Å
266V25.4Very low34.5Very low147 Ų147119.1 Ų119.189%0.89165%0.648SS**  trans-12268.8134.2-173.70000106.3S268V266-S268 PolarHBondContact O-N 3.26Å
267E28.2Very low33.4Very low173 Ų173126 Ų12681%0.80869%0.685SS**  trans-72.9102.9157.1-90.1-174.7149.500107.5I265 S269I265-E267 HydrophobicContact CG2-CB 4.04Å; I265-E267 VanDerWaalsContact CG2-N 3.3Å; E267-S269 PolarHBondContact O-N 2.95Å
268S26.9Very low32.8Very low102 Ų102130.2 Ų130.271%0.71370%0.697SS**  trans-65.6110.615953.40000108.3V266V266-S268 PolarHBondContact O-N 3.26Å
269S23.8Very low32.2Very low106 Ų106128.2 Ų128.274%0.74169%0.688SS**  trans11.7116.3143.2-46.80000116.2E267E267-S269 PolarHBondContact O-N 2.95Å
270I32.4Very low31.9Very low162 Ų162131.9 Ų131.983%0.83170%0.701SS**  trans-150.8103.9134.8-84.3135.6000106.8
271D27Very low31.6Very low133 Ų133134.9 Ų134.971%0.71171%0.706SS**  trans18.9141.7134.3-60.3-34.7000122
272D29.7Very low31.4Very low129 Ų129136.7 Ų136.769%0.6972%0.716SS**  trans97.8108.2137.9-70.1-18.9000120.7
273H29.5Very low31Very low168 Ų168138.1 Ų138.178%0.77871%0.71SS**  79.9112.8125.5-79.8-64.9000120.6
274D27.5Very low30.7Very low143 Ų143136.3 Ų136.377%0.76571%0.711SS**  102.9135.2121.5-147.67.2000118.2
275S31.3Very low30.7Very low82 Ų82137 Ų13757%0.57371%0.712SS**  trans-38137.917856.20000116.3
276T33Very low31Very low114 Ų114141 Ų14170%0.69973%0.729SS**  173.3116.6108.7300000110.8E278T276-E278 PolarHBondContact O-N 3.29Å
277D37Very low31.2Very low158 Ų158137.2 Ų137.285%0.84572%0.719SS**THydrogen-bonded Turntrans-7329.5-176.1-81-34.7000115.1
278E40.2Very low31.2Very low169 Ų169137.7 Ų137.779%0.7973%0.727SS**THydrogen-bonded Turntrans-119.7-18.5177.6-75-178.5163.900113.9T276T276-E278 PolarHBondContact O-N 3.29Å
279E34.1Very low31.2Very low116 Ų116138.3 Ų138.354%0.54273%0.73SS.*Hα-helixtrans-82.2-18.7176.8-160.7178.9161.400113.1N281 D282 R283E279-N281 VanDerWaalsContact C-N 3.35Å; E279-N281 PolarHBondContact O-N 3.21Å; E279-D282 PolarHBondContact O-N 3.2Å; E279-R283 PolarHBondContact O-N 3.35Å; E279-R283 IonicContact OE1-CZ 3.53Å; E279-R283 IonicContact OE1-NE 3.44Å; E279-R283 IonicContact OE1-NH2 3.98Å
280F36.6Very low31.4Very low156 Ų156138 Ų13868%0.68473%0.725SS**Hα-helixtrans-68.8-31.2-177.8-170.8-101000113.1
281N31.7Very low31.1Very low109 Ų109137 Ų13758%0.58373%0.727SS**Hα-helixtrans-80.7-25.9-179.8-78.3-37.6000113.4E279E279-N281 VanDerWaalsContact C-N 3.35Å; E279-N281 PolarHBondContact O-N 3.21Å
282D31.1Very low31.1Very low122 Ų122136.8 Ų136.865%0.65273%0.731SS**Hα-helixtrans-80.3-28.4177.1-80.8-14.8000112.2E279 L284 K285E279-D282 PolarHBondContact O-N 3.2Å; D282-L284 PolarHBondContact O-N 3Å; D282-K285 PolarHBondContact O-N 3.33Å; D282-K285 VanDerWaalsContact O-N 3.1Å
283R27.4Very low31.1Very low179 Ų179138 Ų13868%0.67574%0.737SS**THydrogen-bonded Turntrans-69-14.7175.4-78.2-174.8151.9166.31.5115E279 K285E279-R283 PolarHBondContact O-N 3.35Å; E279-R283 IonicContact OE1-CZ 3.53Å; E279-R283 IonicContact OE1-NE 3.44Å; E279-R283 IonicContact OE1-NH2 3.98Å; R283-K285 VanDerWaalsContact C-N 3.26Å; R283-K285 PolarHBondContact O-N 3.04Å
284L32.2Very low31.1Very low135 Ų135135.2 Ų135.271%0.70773%0.734SS**THydrogen-bonded Turntrans-76.3-11.1171.3-85.5163.8000113.3D282D282-L284 PolarHBondContact O-N 3Å
285K33.7Very low31.7Very low178 Ų178131.9 Ų131.977%0.77472%0.715SS**THydrogen-bonded Turntrans-101.7-25.8-178.1-72.9-171.2178.3175.80114.9D282 R283D282-K285 PolarHBondContact O-N 3.33Å; D282-K285 VanDerWaalsContact O-N 3.1Å; R283-K285 VanDerWaalsContact C-N 3.26Å; R283-K285 PolarHBondContact O-N 3.04Å
286E33.3Very low32Very low181 Ų181133.5 Ų133.585%0.84672%0.722SS**SBendtrans-14596.6-179.7-68.9-175.8173.400110.4
287G27.9Very low32.3Very low66 Ų66130.9 Ų130.968%0.6870%0.703SS**  trans-162.279.6177.800000110.9C289G287-C289 PolarHBondContact O-N 3.31Å
288D29.1Very low32.4Very low183 Ų183125 Ų12598%0.97967%0.673SS**  trans-48.5105.8166.1-92.9-33.1000110
289C27.2Very low32.2Very low115 Ų115122.1 Ų122.178%0.77767%0.669SS**  trans-117.1138.8166.8-148.90000108G287 T291G287-C289 PolarHBondContact O-N 3.31Å; C289-T291 PolarHBondContact O-N 2.88Å
290P27.2Very low32.2Very low99 Ų99121.1 Ų121.164%0.64367%0.667SS**  trans-76.7127.1-147.226.3-27.5000112.9T292P290-T292 PolarHBondContact O-N 3.24Å
291T27.2Very low32.4Very low142 Ų142114.1 Ų114.187%0.87164%0.637SS**  trans2070.6151.7610000115.5C289C289-T291 PolarHBondContact O-N 2.88Å
292T26.7Very low32.7Very low129 Ų129115 Ų11579%0.79163%0.633SS**SBendtrans-119.6126145.421.50000104.5P290P290-T292 PolarHBondContact O-N 3.24Å
293D29.1Very low32.9Very low155 Ų155114.2 Ų114.283%0.82963%0.629SS**  trans-48.1127.4-171.2-73.8-41.5000110.5I295D293-I295 PolarHBondContact O-N 3.09Å
294P30.5Very low33.5Very low109 Ų109108.9 Ų108.971%0.70861%0.609SS**  trans-61115.3-176.423.3-31.2000108.2T296P294-T296 VanDerWaalsContact C-N 3.34Å; P294-T296 PolarHBondContact O-N 2.91Å
295I39.2Very low34Very low72 Ų72103.9 Ų103.937%0.36959%0.586SS.*  trans-56.6105.7169.2-61.7174000105.4D293 L297D293-I295 PolarHBondContact O-N 3.09Å; I295-L297 HydrophobicContact CG2-CD2 4.25Å; I295-L297 PolarHBondContact O-N 3.45Å
296T37.4Very low34.1Very low117 Ų117102.2 Ų102.272%0.71858%0.578SS**  trans-6989.8174.1-56.60000106.3P294 T298P294-T296 VanDerWaalsContact C-N 3.34Å; P294-T296 PolarHBondContact O-N 2.91Å; T296-T298 PolarHBondContact O-N 2.84Å
297L38.6Very low34Very low58 Ų5898.8 Ų98.830%0.30457%0.566SS.*  trans-59.4126.8172.7-69169.8000107.4V245 I295 T301 Y302V245-L297 HydrophobicContact CG2-CD2 4.26Å; I295-L297 HydrophobicContact CG2-CD2 4.25Å; I295-L297 PolarHBondContact O-N 3.45Å; L297-T301 HydrophobicContact CD2-CG2 3.82Å; L297-Y302 HydrophobicContact CD1-CD2 4.38Å
298T40.1Very low34.4Very low34 Ų3498.8 Ų98.821%0.20956%0.555CS.*  trans-62.5151.9171.572.20000109T296 L300 T301 Y302T296-T298 PolarHBondContact O-N 2.84Å; T298-L300 PolarHBondContact O-N 2.89Å; T298-L300 VanDerWaalsContact O-N 3.1Å; T298-T301 PolarHBondContact O-N 3.4Å; T298-T301 PolarHBondContact OG1-N 2.83Å; T298-T301 PolarHBondContact OG1-OG1 2.96Å; T298-Y302 PolarHBondContact O-N 3.01Å
299P35.9Very low34.8Very low109 Ų10991 Ų9171%0.70851%0.514SS*.Hα-helixtrans-50.8-37177.3-27.934.6000113.2Y302 D303P299-Y302 PolarHBondContact O-N 3.29Å; P299-D303 PolarHBondContact O-N 3.11Å
300L34.3Very low35Very low96 Ų9686.5 Ų86.550%0.50349%0.486SS..Hα-helixtrans-64.4-41.3176.2-78158.3000112.8L241 T298 Y304L241-L300 HydrophobicContact CD2-CB 4.31Å; T298-L300 PolarHBondContact O-N 2.89Å; T298-L300 VanDerWaalsContact O-N 3.1Å; L300-Y304 WeakPolarHBondContact O-CB 3.29Å; L300-Y304 PolarHBondContact O-N 3.39Å
301T39.9Very low35.3Very low8 Ų885.8 Ų85.85%0.04949%0.488CS..Hα-helixtrans-70.4-34.9178.8-43.90000111.8L297 T298 S305L297-T301 HydrophobicContact CD2-CG2 3.82Å; T298-T301 PolarHBondContact O-N 3.4Å; T298-T301 PolarHBondContact OG1-N 2.83Å; T298-T301 PolarHBondContact OG1-OG1 2.96Å; T301-S305 PolarHBondContact O-N 2.99Å
302Y39.3Very low35.7Very low129 Ų12986.9 Ų86.951%0.50648%0.481SS..Hα-helixtrans-66.8-45.9178.2-173.7-97.6000111.9L297 T298 P299 Y304 S305L297-Y302 HydrophobicContact CD1-CD2 4.38Å; T298-Y302 PolarHBondContact O-N 3.01Å; P299-Y302 PolarHBondContact O-N 3.29Å; Y302-Y304 VanDerWaalsContact C-N 3.33Å; Y302-Y304 PolarHBondContact O-N 2.9Å; Y302-S305 PolarHBondContact O-N 3.46Å; Y302-S305 PolarHBondContact O-OG 2.88Å
303D34.4Very low36.1Very low105 Ų10582.3 Ų82.356%0.56146%0.456SS*.Hα-helixtrans-68.2-33.6179.6-79-23000112.7P299 S305 K306P299-D303 PolarHBondContact O-N 3.11Å; D303-S305 VanDerWaalsContact C-N 3.26Å; D303-S305 PolarHBondContact O-N 3.4Å; D303-K306 PolarHBondContact O-N 3Å
304Y39.7Very low36.2Very low67 Ų6781.5 Ų81.526%0.26345%0.445SS..Hα-helixtrans-68.9-21.9179-137.3-89.8000113.5E53 L241 L300 Y302 K306E53-Y304 VanDerWaalsContact CB-OH 3.23Å; E53-Y304 WeakPolarHBondContact CB-OH 3.34Å; E53-Y304 HydrophobicContact CG-CE2 4.07Å; E53-Y304 WeakPolarHBondContact CG-OH 3.5Å; E53-Y304 PolarHBondContact OE1-OH 3.46Å; E53-Y304 VanDerWaalsContact OE1-OH 3.1Å; L241-Y304 HydrophobicContact CD1-CD1 4.38Å; L241-Y304 HydrophobicContact CD1-CG 4.33Å; L300-Y304 WeakPolarHBondContact O-CB 3.29Å; L300-Y304 PolarHBondContact O-N 3.39Å; Y302-Y304 VanDerWaalsContact C-N 3.33Å; Y302-Y304 PolarHBondContact O-N 2.9Å; Y304-K306 PolarHBondContact O-N 3.19Å
305S42.5Very low35.9Very low30 Ų3079 Ų7921%0.2144%0.439CS..THydrogen-bonded Turntrans-69.4-16.2179.370.40000114T301 Y302 D303T301-S305 PolarHBondContact O-N 2.99Å; Y302-S305 PolarHBondContact O-N 3.46Å; Y302-S305 PolarHBondContact O-OG 2.88Å; D303-S305 VanDerWaalsContact C-N 3.26Å; D303-S305 PolarHBondContact O-N 3.4Å
306K36.2Very low35.5Very low142 Ų14278.8 Ų78.862%0.61746%0.455SS*.THydrogen-bonded Turntrans-85.1-21.5-176.8-69.1-180179.1168.80114.4D303 Y304D303-K306 PolarHBondContact O-N 3Å; Y304-K306 PolarHBondContact O-N 3.19Å
307D31.8Very low35.4Very low110 Ų11076.7 Ų76.759%0.58845%0.445SS*.SBendtrans-113.8118.5-174.7-78-23000111.7P309D307-P309 WeakPolarHBondContact O-CD 3.36Å; D307-P309 VanDerWaalsContact O-N 3.13Å
308S36.5Very low34.8Very low65 Ų6578.3 Ų78.346%0.45545%0.453SS..  trans-50.9109.9-177.11780000113.3
309P36.9Very low34.1Very low19 Ų1981.7 Ų81.712%0.12347%0.474CS..SBendtrans-77.7-25.3-174.8-16.331.1000114.2I255 D307 A311 A313I255-P309 HydrophobicContact CG2-CG 4.02Å; I255-P309 WeakPolarHBondContact O-CD 3.24Å; D307-P309 WeakPolarHBondContact O-CD 3.36Å; D307-P309 VanDerWaalsContact O-N 3.13Å; P309-A311 PolarHBondContact O-N 3.09Å; P309-A313 PolarHBondContact O-N 3.02Å
310A32.2Very low33.8Very low21 Ų2183.5 Ų83.517%0.17447%0.473CS..Hα-helixtrans-67.3-40.1-171.700000112.3K312 F314A310-K312 VanDerWaalsContact C-N 3.35Å; A310-K312 PolarHBondContact O-N 2.88Å; A310-F314 VanDerWaalsContact O-CD2 3.26Å; A310-F314 WeakPolarHBondContact O-CD2 3.25Å
311A32.2Very low33.5Very low84 Ų8485.7 Ų85.769%0.69448%0.482SS*.Hα-helixtrans-71.4-25.9-176.200000113.8P309P309-A311 PolarHBondContact O-N 3.09Å
312K36.2Very low32.9Very low166 Ų16687 Ų8772%0.72249%0.492SS*.Hα-helixtrans-85.6-33.1179.5-76.2180179172.90113.2A310A310-K312 VanDerWaalsContact C-N 3.35Å; A310-K312 PolarHBondContact O-N 2.88Å
313A35.3Very low32.5Very low33 Ų3389.8 Ų89.827%0.27350%0.501SS..Hα-helixtrans-78.5-30-173.700000114.2A57 P309 G315A57-A313 HydrophobicContact CB-CB 3.68Å; P309-A313 PolarHBondContact O-N 3.02Å; A313-G315 VanDerWaalsContact C-N 3.31Å; A313-G315 PolarHBondContact O-N 2.81Å
314F30.2Very low32.4Very low137 Ų13787.4 Ų87.460%0.60149%0.493SS*.  trans-92.740.2-171.6-69.2-70.1000114.7V61 A310 G316V61-F314 HydrophobicContact CG2-CE1 4.37Å; V61-F314 HydrophobicContact CG2-CZ 3.82Å; A310-F314 VanDerWaalsContact O-CD2 3.26Å; A310-F314 WeakPolarHBondContact O-CD2 3.25Å; F314-G316 VanDerWaalsContact C-N 3.35Å; F314-G316 PolarHBondContact O-N 3.46Å
315G26Very low32.2Very low56 Ų5689.1 Ų89.158%0.57751%0.51SS*.  trans-59.4102.8152.200000107.9A313 S317A313-G315 VanDerWaalsContact C-N 3.31Å; A313-G315 PolarHBondContact O-N 2.81Å; G315-S317 PolarHBondContact O-N 2.7Å
316G29.6Very low31.7Very low68 Ų6889.4 Ų89.470%0.70151%0.51SS*.THydrogen-bonded Turntrans-61.228.9-163.500000118.8F314F314-G316 VanDerWaalsContact C-N 3.35Å; F314-G316 PolarHBondContact O-N 3.46Å
317S35Very low31.5Very low73 Ų7385.6 Ų85.651%0.5150%0.499SS..THydrogen-bonded Turntrans-104.2-19.5-177.3-171.20000114.9G315G315-S317 PolarHBondContact O-N 2.7Å
318I25.7Very low31.5Very low93 Ų9384.5 Ų84.548%0.47749%0.491SS..Hα-helixtrans-72-36-176.3-75.3175.2000111.9E320 M321 S322I318-E320 PolarHBondContact O-N 3.21Å; I318-M321 PolarHBondContact O-N 2.91Å; I318-S322 PolarHBondContact O-N 3.32Å; I318-S322 PolarHBondContact O-OG 3.1Å
319V26.9Very low31.7Very low105 Ų10585.4 Ų85.464%0.63649%0.489SS*.Hα-helixtrans-65.2-26.5-179.7-178.20000112.5
320E28.7Very low31.7Very low147 Ų14785.7 Ų85.769%0.68749%0.49SS*.Hα-helixtrans-84-26.3178.7-69.1-170.2158.500113.3I318I318-E320 PolarHBondContact O-N 3.21Å
321M27.7Very low31.6Very low142 Ų14290.1 Ų90.170%0.750%0.502SS*.Hα-helixtrans-79.8-25.6-177.6-154.170.165.900113.1I318 R323I318-M321 PolarHBondContact O-N 2.91Å; M321-R323 VanDerWaalsContact C-N 3.31Å; M321-R323 PolarHBondContact O-N 2.56Å
322S28.9Very low31.8Very low36 Ų3693 Ų9325%0.25250%0.501SS..THydrogen-bonded Turntrans-81.53.1-173.5-56.40000115.3I129 I318 S324I129-S322 VanDerWaalsContact CD1-O 3.26Å; I129-S322 WeakPolarHBondContact CD1-O 3.03Å; I318-S322 PolarHBondContact O-N 3.32Å; I318-S322 PolarHBondContact O-OG 3.1Å; S322-S324 PolarHBondContact O-N 3.43Å
323R30.3Very low31.7Very low187 Ų18787.4 Ų87.471%0.70648%0.482SS*.  trans-76.420.2-175.5-67.4-174.3176.3-176.3-1.7116M321 T325M321-R323 VanDerWaalsContact C-N 3.31Å; M321-R323 PolarHBondContact O-N 2.56Å; R323-T325 PolarHBondContact O-N 3.05Å
324S32.2Very low31.9Very low55 Ų5589.1 Ų89.139%0.38549%0.49SS..  trans-84.4107.5175.5-171.10000110.9S322 N326S322-S324 PolarHBondContact O-N 3.43Å; S324-N326 VanDerWaalsContact C-N 3.3Å; S324-N326 PolarHBondContact O-N 3.32Å
325T34.4Very low31.8Very low103 Ų10389 Ų8963%0.63250%0.495SS*.  trans-90.626.3177.949.20000113.1R323 P327R323-T325 PolarHBondContact O-N 3.05Å; T325-P327 VanDerWaalsContact O-CD 3.23Å; T325-P327 WeakPolarHBondContact O-CD 3.08Å
326N32.6Very low32.4Very low36 Ų3687.4 Ų87.419%0.19347%0.473CS..  trans-90110.9-177.2-169.3-16.3000111.8S324 E328 I329S324-N326 VanDerWaalsContact C-N 3.3Å; S324-N326 PolarHBondContact O-N 3.32Å; N326-E328 PolarHBondContact O-N 3.33Å; N326-E328 VanDerWaalsContact O-N 3.15Å; N326-E328 PolarHBondContact OD1-N 3.36Å; N326-E328 VanDerWaalsContact OD1-N 3.08Å; N326-I329 HydrophobicContact CB-CD1 3.99Å; N326-I329 HydrophobicContact CB-CG1 4.11Å; N326-I329 PolarHBondContact O-N 3.44Å; N326-I329 VanDerWaalsContact O-N 3.14Å
327P32.3Very low32.8Very low62 Ų6289.2 Ų89.240%0.40348%0.475SS..Hα-helixtrans-61.8-22.6-17923.3-33000114T325 I330 R331T325-P327 VanDerWaalsContact O-CD 3.23Å; T325-P327 WeakPolarHBondContact O-CD 3.08Å; P327-I330 PolarHBondContact O-N 2.99Å; P327-R331 WeakPolarHBondContact O-CG 3.28Å; P327-R331 PolarHBondContact O-N 2.92Å; P327-R331 VanDerWaalsContact O-N 3.1Å
328E32.5Very low32.7Very low87 Ų8792.3 Ų92.341%0.40749%0.486SS..Hα-helixtrans-73.4-30.9177.4-72.5-63152.600113.1N326 I330 R331 Q332N326-E328 PolarHBondContact O-N 3.33Å; N326-E328 VanDerWaalsContact O-N 3.15Å; N326-E328 PolarHBondContact OD1-N 3.36Å; N326-E328 VanDerWaalsContact OD1-N 3.08Å; E328-I330 VanDerWaalsContact C-N 3.29Å; E328-R331 PolarHBondContact O-N 3.06Å; E328-Q332 WeakPolarHBondContact O-CG 3.46Å; E328-Q332 PolarHBondContact O-N 3.19Å
329I39.6Very low33.3Very low83 Ų8389.8 Ų89.843%0.42648%0.475SS..Hα-helixtrans-67.9-37.8174.1-61.9177.7000109.2N326 Q332 S333N326-I329 HydrophobicContact CB-CD1 3.99Å; N326-I329 HydrophobicContact CB-CG1 4.11Å; N326-I329 PolarHBondContact O-N 3.44Å; N326-I329 VanDerWaalsContact O-N 3.14Å; I329-Q332 PolarHBondContact O-N 3.35Å; I329-S333 PolarHBondContact O-OG 3.2Å; I329-S333 VanDerWaalsContact O-OG 3.12Å
330I36.9Very low33.8Very low25 Ų2588.6 Ų88.613%0.12847%0.465CS..Hα-helixtrans-65.5-40.7178-59.2178.4000111.3L130 F185 W190 P327 E328 Q332 S333L130-I330 HydrophobicContact CD2-CD1 4.49Å; F185-I330 HydrophobicContact CE1-CG2 4.33Å; W190-I330 HydrophobicContact CH2-CG2 3.26Å; W190-I330 HydrophobicContact CZ2-CG2 3.55Å; W190-I330 HydrophobicContact CZ3-CG2 4.22Å; P327-I330 PolarHBondContact O-N 2.99Å; E328-I330 VanDerWaalsContact C-N 3.29Å; I330-Q332 VanDerWaalsContact C-N 3.31Å; I330-Q332 PolarHBondContact O-N 3.12Å; I330-S333 PolarHBondContact O-N 3.2Å; I330-S333 PolarHBondContact O-OG 3.4Å
331R31.2Very low34.2Very low115 Ų11585.8 Ų85.843%0.43446%0.462SS..Hα-helixtrans-67-26.4176.3-69.4-169.198.494.215.1113.7F185 E189 P327 E328 T334F185-R331 HydrophobicContact CZ-CG 4.14Å; E189-R331 IonicContact OE2-CZ 3.37Å; E189-R331 IonicContact OE2-NH1 3.95Å; E189-R331 IonicContact OE2-NH2 3.17Å; E189-R331 PolarHBondContact OE2-NH2 3.36Å; P327-R331 WeakPolarHBondContact O-CG 3.28Å; P327-R331 PolarHBondContact O-N 2.92Å; P327-R331 VanDerWaalsContact O-N 3.1Å; E328-R331 PolarHBondContact O-N 3.06Å; R331-T334 PolarHBondContact O-OG1 3.49Å
332Q35.8Very low34.5Very low145 Ų14583.4 Ų83.468%0.67845%0.452SS*.Hα-helixtrans-76.5-25.6179.8-71.917715.700112.6E328 I329 I330 T334E328-Q332 WeakPolarHBondContact O-CG 3.46Å; E328-Q332 PolarHBondContact O-N 3.19Å; I329-Q332 PolarHBondContact O-N 3.35Å; I330-Q332 VanDerWaalsContact C-N 3.31Å; I330-Q332 PolarHBondContact O-N 3.12Å; Q332-T334 VanDerWaalsContact C-N 3.25Å; Q332-T334 PolarHBondContact O-N 3.32Å
333S34Very low35.4Very low47 Ų4784.4 Ų84.433%0.32945%0.454SS..THydrogen-bonded Turntrans-73.6-0.1175120000115.1I329 I330 I336I329-S333 PolarHBondContact O-OG 3.2Å; I329-S333 VanDerWaalsContact O-OG 3.12Å; I330-S333 PolarHBondContact O-N 3.2Å; I330-S333 PolarHBondContact O-OG 3.4Å; S333-I336 WeakPolarHBondContact O-CD1 3.21Å; S333-I336 WeakPolarHBondContact O-CG1 3.47Å
334T38.5Very low36.2Very low70 Ų7082.1 Ų82.143%0.42945%0.446SS..THydrogen-bonded Turntrans-110.4-10.5-171.954.80000115.7W190 R331 Q332 I336W190-T334 HydrophobicContact CH2-CG2 4.46Å; W190-T334 HydrophobicContact CZ2-CG2 3.41Å; W190-T334 VanDerWaalsContact CZ2-CG2 3.41Å; R331-T334 PolarHBondContact O-OG1 3.49Å; Q332-T334 VanDerWaalsContact C-N 3.25Å; Q332-T334 PolarHBondContact O-N 3.32Å; T334-I336 PolarHBondContact O-N 3.05Å
335N29.2Very low36.8Very low133 Ų13385.9 Ų85.971%0.71146%0.456SS*.  trans-8437.4-178.5-141.6-11.1000112.8V339N335-V339 WeakPolarHBondContact O-CG2 3.47Å
336I38.4Very low37.6Very low23 Ų2383.8 Ų83.812%0.11844%0.441CS..THydrogen-bonded Turntrans-91.4-12-151.3-68-169.4000117N122 S333 T334 N338 V339 D340N122-I336 HydrophobicContact CB-CD1 4.35Å; N122-I336 HydrophobicContact CB-CG2 4.46Å; N122-I336 VanDerWaalsContact ND2-CG2 3.31Å; N122-I336 WeakPolarHBondContact ND2-CG2 3.36Å; S333-I336 WeakPolarHBondContact O-CD1 3.21Å; S333-I336 WeakPolarHBondContact O-CG1 3.47Å; T334-I336 PolarHBondContact O-N 3.05Å; I336-N338 PolarHBondContact O-N 3.19Å; I336-N338 VanDerWaalsContact O-N 3.09Å; I336-V339 HydrophobicContact CB-CB 4.23Å; I336-V339 HydrophobicContact CG1-CB 4.08Å; I336-V339 HydrophobicContact CG1-CG1 4.49Å; I336-V339 HydrophobicContact CG2-CB 4.27Å; I336-V339 CarbonylContact O-C 3.6Å; I336-V339 WeakPolarHBondContact O-CA 3.41Å; I336-V339 PolarHBondContact O-N 2.99Å; I336-D340 HydrophobicContact CG2-CB 4.23Å; I336-D340 WeakPolarHBondContact CG2-OD1 3.41Å; I336-D340 WeakPolarHBondContact CG2-OD2 3.48Å; I336-D340 PolarHBondContact O-N 2.76Å
337S37.3Very low38.4Very low106 Ų10685.7 Ų85.774%0.74145%0.448SS*.THydrogen-bonded Turntrans-58.7-33.2178.958.70000113.5
338N34.3Very low39.3Very low138 Ų13885.8 Ų85.874%0.73845%0.445SS*.THydrogen-bonded Turntrans-87.5-21.9169.1-79.9-24.4000113.4I336 L342I336-N338 PolarHBondContact O-N 3.19Å; I336-N338 VanDerWaalsContact O-N 3.09Å; N338-L342 WeakPolarHBondContact O-CB 3.45Å; N338-L342 PolarHBondContact O-N 3.18Å
339V38.3Very low40.2Very low41 Ų4184 Ų8425%0.24844%0.44CS..Hα-helixtrans-82.2-24.9-179.2-173.40000111.8N335 I336 L342 N343N335-V339 WeakPolarHBondContact O-CG2 3.47Å; I336-V339 HydrophobicContact CB-CB 4.23Å; I336-V339 HydrophobicContact CG1-CB 4.08Å; I336-V339 HydrophobicContact CG1-CG1 4.49Å; I336-V339 HydrophobicContact CG2-CB 4.27Å; I336-V339 CarbonylContact O-C 3.6Å; I336-V339 WeakPolarHBondContact O-CA 3.41Å; I336-V339 PolarHBondContact O-N 2.99Å; V339-L342 CarbonylContact O-C 3.58Å; V339-L342 PolarHBondContact O-N 3.49Å; V339-N343 HydrophobicContact CG1-CB 4.49Å; V339-N343 WeakPolarHBondContact O-CA 3.36Å; V339-N343 WeakPolarHBondContact O-CB 3.14Å; V339-N343 PolarHBondContact O-N 3.43Å
340D37.2Very low40.9Very low79 Ų7983.9 Ų83.942%0.42244%0.436SS..Hα-helixtrans-66.8-41.2177.6-79.7-28.1000111.7N122 I336 N343 Y344N122-D340 PolarHBondContact ND2-OD2 3.15Å; I336-D340 HydrophobicContact CG2-CB 4.23Å; I336-D340 WeakPolarHBondContact CG2-OD1 3.41Å; I336-D340 WeakPolarHBondContact CG2-OD2 3.48Å; I336-D340 PolarHBondContact O-N 2.76Å; D340-N343 PolarHBondContact O-N 3.18Å; D340-Y344 VanDerWaalsContact O-CB 3.23Å; D340-Y344 WeakPolarHBondContact O-CB 3.31Å; D340-Y344 PolarHBondContact O-N 3.46Å
341S36Very low41.7Very low89 Ų8985.1 Ų85.162%0.62245%0.45SS*.Hα-helixtrans-65.7-39.8171.7-64.60000111.6F345S341-F345 WeakPolarHBondContact O-CB 3.5Å; S341-F345 PolarHBondContact O-N 2.89Å
342L35.1Very low42.7Very low92 Ų9287 Ų8748%0.48246%0.464SS..Hα-helixtrans-70.2-36.2176.3-173.365.4000112.2N338 V339 F345 L346N338-L342 WeakPolarHBondContact O-CB 3.45Å; N338-L342 PolarHBondContact O-N 3.18Å; V339-L342 CarbonylContact O-C 3.58Å; V339-L342 PolarHBondContact O-N 3.49Å; L342-F345 PolarHBondContact O-N 3.41Å; L342-L346 HydrophobicContact CD2-CD1 4.49Å; L342-L346 HydrophobicContact CG-CD1 3.95Å; L342-L346 HydrophobicContact CG-CG 4.37Å; L342-L346 WeakPolarHBondContact O-CA 3.43Å; L342-L346 WeakPolarHBondContact O-CB 3.08Å; L342-L346 WeakPolarHBondContact O-CG 3.24Å; L342-L346 PolarHBondContact O-N 3Å
343N47.2Very low43.6Very low56 Ų5685.3 Ų85.330%0.29946%0.463SS..Hα-helixtrans-71.8-40177.9-95.9-16.4000108.9V339 D340 L346 Q347V339-N343 HydrophobicContact CG1-CB 4.49Å; V339-N343 WeakPolarHBondContact O-CA 3.36Å; V339-N343 WeakPolarHBondContact O-CB 3.14Å; V339-N343 PolarHBondContact O-N 3.43Å; D340-N343 PolarHBondContact O-N 3.18Å; N343-L346 PolarHBondContact O-N 2.94Å; N343-Q347 WeakPolarHBondContact O-CA 3.44Å; N343-Q347 WeakPolarHBondContact O-CB 3.38Å; N343-Q347 WeakPolarHBondContact O-CG 3.44Å; N343-Q347 PolarHBondContact O-N 2.87Å
344Y47.5Very low44.5Very low140 Ų14083.7 Ų83.755%0.54945%0.453SS..Hα-helixtrans-62.6-47.2171.7-179.2-107.6000110.8D340 L346 Q347 I348D340-Y344 VanDerWaalsContact O-CB 3.23Å; D340-Y344 WeakPolarHBondContact O-CB 3.31Å; D340-Y344 PolarHBondContact O-N 3.46Å; Y344-L346 PolarHBondContact O-N 3.07Å; Y344-Q347 PolarHBondContact O-N 3.01Å; Y344-I348 HydrophobicContact CD1-CD1 3.76Å; Y344-I348 HydrophobicContact CD2-CD1 4.39Å; Y344-I348 HydrophobicContact CE1-CD1 3.27Å; Y344-I348 HydrophobicContact CE1-CG1 4.44Å; Y344-I348 HydrophobicContact CE2-CD1 3.96Å; Y344-I348 HydrophobicContact CE2-CG1 4.42Å; Y344-I348 HydrophobicContact CG-CD1 4.31Å; Y344-I348 WeakPolarHBondContact O-CG1 3.44Å; Y344-I348 PolarHBondContact O-N 2.71Å
345F45.2Very low45.2Very low134 Ų13484.3 Ų84.359%0.58846%0.458SS*.Hα-helixtrans-63.3-42.3175.6-170.6-91.8000112.2S341 L342 T349S341-F345 WeakPolarHBondContact O-CB 3.5Å; S341-F345 PolarHBondContact O-N 2.89Å; L342-F345 PolarHBondContact O-N 3.41Å; F345-T349 WeakPolarHBondContact CE1-OG1 3.29Å; F345-T349 VanDerWaalsContact O-CB 3.24Å; F345-T349 WeakPolarHBondContact O-CB 3.34Å; F345-T349 PolarHBondContact O-N 3.25Å; F345-T349 PolarHBondContact O-OG1 3.43Å
346L50.2Low46.5Very low59 Ų5982.1 Ų82.131%0.30945%0.446SS..Hα-helixtrans-65.9-41.9175.5-79.3169.7000110.8L342 N343 Y344 T349 F350L342-L346 HydrophobicContact CD2-CD1 4.49Å; L342-L346 HydrophobicContact CG-CD1 3.95Å; L342-L346 HydrophobicContact CG-CG 4.37Å; L342-L346 WeakPolarHBondContact O-CA 3.43Å; L342-L346 WeakPolarHBondContact O-CB 3.08Å; L342-L346 WeakPolarHBondContact O-CG 3.24Å; L342-L346 PolarHBondContact O-N 3Å; N343-L346 PolarHBondContact O-N 2.94Å; Y344-L346 PolarHBondContact O-N 3.07Å; L346-T349 CarbonylContact O-C 3.52Å; L346-T349 PolarHBondContact O-N 3.08Å; L346-F350 HydrophobicContact CB-CD2 4.05Å; L346-F350 HydrophobicContact CB-CE2 3.96Å; L346-F350 HydrophobicContact CD2-CE2 4.11Å; L346-F350 HydrophobicContact CD2-CZ 4.23Å; L346-F350 WeakPolarHBondContact O-CA 3.47Å; L346-F350 WeakPolarHBondContact O-CB 3.25Å; L346-F350 WeakPolarHBondContact O-CD2 3.5Å; L346-F350 WeakPolarHBondContact O-CG 3.04Å; L346-F350 PolarHBondContact O-N 3.14Å
347Q50.3Low47.5Very low76 Ų7682 Ų8236%0.35545%0.447SS..Hα-helixtrans-64.6-44.3177.2-79.9172.126.100110.7N343 Y344 F350 A351N343-Q347 WeakPolarHBondContact O-CA 3.44Å; N343-Q347 WeakPolarHBondContact O-CB 3.38Å; N343-Q347 WeakPolarHBondContact O-CG 3.44Å; N343-Q347 PolarHBondContact O-N 2.87Å; Y344-Q347 PolarHBondContact O-N 3.01Å; Q347-F350 PolarHBondContact O-N 2.91Å; Q347-A351 WeakPolarHBondContact O-CB 3.24Å; Q347-A351 PolarHBondContact O-N 3.13Å
348I51.3Low48.6Very low64 Ų6481.9 Ų81.933%0.32844%0.437SS..Hα-helixtrans-60.4-49.7172.4-70.7169.6000110.1Y344 F350 A351 Q352Y344-I348 HydrophobicContact CD1-CD1 3.76Å; Y344-I348 HydrophobicContact CD2-CD1 4.39Å; Y344-I348 HydrophobicContact CE1-CD1 3.27Å; Y344-I348 HydrophobicContact CE1-CG1 4.44Å; Y344-I348 HydrophobicContact CE2-CD1 3.96Å; Y344-I348 HydrophobicContact CE2-CG1 4.42Å; Y344-I348 HydrophobicContact CG-CD1 4.31Å; Y344-I348 WeakPolarHBondContact O-CG1 3.44Å; Y344-I348 PolarHBondContact O-N 2.71Å; I348-F350 VanDerWaalsContact C-N 3.3Å; I348-F350 PolarHBondContact O-N 3.44Å; I348-A351 PolarHBondContact O-N 3.01Å; I348-Q352 VanDerWaalsContact O-CG 3.25Å; I348-Q352 WeakPolarHBondContact O-CG 3.46Å; I348-Q352 PolarHBondContact O-N 3.47Å
349T51.7Low50.1Low48 Ų4878.3 Ų78.329%0.29442%0.421SS..Hα-helixtrans-61.2-42.1-179.4-58.10000110.8F345 L346 Q352 V353F345-T349 WeakPolarHBondContact CE1-OG1 3.29Å; F345-T349 VanDerWaalsContact O-CB 3.24Å; F345-T349 WeakPolarHBondContact O-CB 3.34Å; F345-T349 PolarHBondContact O-N 3.25Å; F345-T349 PolarHBondContact O-OG1 3.43Å; L346-T349 CarbonylContact O-C 3.52Å; L346-T349 PolarHBondContact O-N 3.08Å; T349-Q352 WeakPolarHBondContact O-CB 3.33Å; T349-Q352 PolarHBondContact O-N 3.43Å; T349-V353 VanDerWaalsContact O-CG2 3.3Å; T349-V353 WeakPolarHBondContact O-CG2 3.3Å; T349-V353 PolarHBondContact O-N 3.32Å
350F53.6Low51.3Low82 Ų8281.9 Ų81.936%0.3643%0.43SS..Hα-helixtrans-70.8-40.2178.9-77.9-42.3000111.8L346 Q347 I348 Q352 V353 A354 P357 I361L346-F350 HydrophobicContact CB-CD2 4.05Å; L346-F350 HydrophobicContact CB-CE2 3.96Å; L346-F350 HydrophobicContact CD2-CE2 4.11Å; L346-F350 HydrophobicContact CD2-CZ 4.23Å; L346-F350 WeakPolarHBondContact O-CA 3.47Å; L346-F350 WeakPolarHBondContact O-CB 3.25Å; L346-F350 WeakPolarHBondContact O-CD2 3.5Å; L346-F350 WeakPolarHBondContact O-CG 3.04Å; L346-F350 PolarHBondContact O-N 3.14Å; Q347-F350 PolarHBondContact O-N 2.91Å; I348-F350 VanDerWaalsContact C-N 3.3Å; I348-F350 PolarHBondContact O-N 3.44Å; F350-Q352 PolarHBondContact O-N 3Å; F350-V353 CarbonylContact O-C 3.45Å; F350-V353 PolarHBondContact O-N 3.18Å; F350-A354 PolarHBondContact O-N 3.26Å; F350-A354 VanDerWaalsContact O-O 3.06Å; F350-P357 HydrophobicContact CB-CB 3.44Å; F350-P357 VanDerWaalsContact CB-CB 3.44Å; F350-P357 HydrophobicContact CB-CG 3.71Å; F350-P357 HydrophobicContact CG-CB 4.14Å; F350-I361 HydrophobicContact CE1-CD1 4.46Å; F350-I361 HydrophobicContact CE2-CD1 4.22Å; F350-I361 HydrophobicContact CZ-CD1 4.2Å
351A52.8Low52.8Low50 Ų5081 Ų8141%0.41343%0.425SS..Hα-helixtrans-64.2-30.717400000112Q347 I348 V353 A354Q347-A351 WeakPolarHBondContact O-CB 3.24Å; Q347-A351 PolarHBondContact O-N 3.13Å; I348-A351 PolarHBondContact O-N 3.01Å; A351-V353 VanDerWaalsContact C-N 3.31Å; A351-A354 WeakPolarHBondContact CA-O 3.47Å
352Q53.2Low54.5Low156 Ų15683.1 Ų83.173%0.72942%0.423SS*.Hα-helixtrans-69.7-26.9170.9-72.6173.32.300112.9I348 T349 F350I348-Q352 VanDerWaalsContact O-CG 3.25Å; I348-Q352 WeakPolarHBondContact O-CG 3.46Å; I348-Q352 PolarHBondContact O-N 3.47Å; T349-Q352 WeakPolarHBondContact O-CB 3.33Å; T349-Q352 PolarHBondContact O-N 3.43Å; F350-Q352 PolarHBondContact O-N 3Å
353V53.6Low56.2Low108 Ų10883.6 Ų83.666%0.65543%0.426SS*.Hα-helixtrans-91.1-40-179.6175.20000111.8T349 F350 A351T349-V353 VanDerWaalsContact O-CG2 3.3Å; T349-V353 WeakPolarHBondContact O-CG2 3.3Å; T349-V353 PolarHBondContact O-N 3.32Å; F350-V353 CarbonylContact O-C 3.45Å; F350-V353 PolarHBondContact O-N 3.18Å; A351-V353 VanDerWaalsContact C-N 3.31Å
354A54.1Low57.6Low14 Ų1482.9 Ų82.912%0.11642%0.422CS..  trans-144.2136.5-178.600000110.7F350 A351 N356 P357F350-A354 PolarHBondContact O-N 3.26Å; F350-A354 VanDerWaalsContact O-O 3.06Å; A351-A354 WeakPolarHBondContact CA-O 3.47Å; A354-N356 VanDerWaalsContact C-N 3.28Å; A354-N356 PolarHBondContact O-N 2.71Å; A354-P357 WeakPolarHBondContact O-CD 3.4Å
355P52.5Low59Low82 Ų8278.4 Ų78.453%0.53241%0.409SS..SBendtrans-61.3-35.2-177.221.4-30.8000112.7R43R43-P355 PolarHBondContact NH2-O 3.06Å
356N57.8Low60.5Low88 Ų8877.4 Ų77.447%0.47141%0.405SS..SBendtrans-126.982175.2-162.3-14.6000110.4A354 L358 T359 Y360A354-N356 VanDerWaalsContact C-N 3.28Å; A354-N356 PolarHBondContact O-N 2.71Å; N356-L358 PolarHBondContact O-N 3.41Å; N356-T359 PolarHBondContact ND2-OG1 3.4Å; N356-T359 PolarHBondContact O-N 3.32Å; N356-T359 PolarHBondContact OD1-OG1 2.98Å; N356-Y360 PolarHBondContact O-N 3.2Å
357P57.4Low61.7Low20 Ų2081.5 Ų81.513%0.1342%0.416CS..Hα-helixtrans-71.3-32.9-167.827.3-33.9000113.2F350 A354 Y360 I361F350-P357 HydrophobicContact CB-CB 3.44Å; F350-P357 VanDerWaalsContact CB-CB 3.44Å; F350-P357 HydrophobicContact CB-CG 3.71Å; F350-P357 HydrophobicContact CG-CB 4.14Å; A354-P357 WeakPolarHBondContact O-CD 3.4Å; P357-Y360 PolarHBondContact O-N 2.84Å; P357-I361 WeakPolarHBondContact O-CB 2.83Å; P357-I361 WeakPolarHBondContact O-CD1 3.35Å; P357-I361 WeakPolarHBondContact O-CG1 3.39Å; P357-I361 PolarHBondContact O-N 2.79Å
358L61.5Low63.1Low104 Ų10478.2 Ų78.255%0.54540%0.401SS..Hα-helixtrans-64-48.2176.2-70.4178.6000110.3N356 Y360 I361 F362N356-L358 PolarHBondContact O-N 3.41Å; L358-Y360 VanDerWaalsContact C-N 3.32Å; L358-Y360 PolarHBondContact O-N 3.26Å; L358-I361 PolarHBondContact O-N 3.39Å; L358-F362 HydrophobicContact CB-CD2 4.36Å; L358-F362 HydrophobicContact CB-CE2 4.31Å; L358-F362 WeakPolarHBondContact O-CB 3.14Å; L358-F362 WeakPolarHBondContact O-CD2 3.46Å; L358-F362 PolarHBondContact O-N 3.11Å
359T65.3Low64.4Low63 Ų6375.9 Ų75.939%0.38739%0.393SS..Hα-helixtrans-58.5-44.7175.1-56.60000111.6N356 I361 F362 D363N356-T359 PolarHBondContact ND2-OG1 3.4Å; N356-T359 PolarHBondContact O-N 3.32Å; N356-T359 PolarHBondContact OD1-OG1 2.98Å; T359-I361 PolarHBondContact O-N 2.98Å; T359-F362 PolarHBondContact O-N 3.38Å; T359-D363 WeakPolarHBondContact O-CB 3.36Å; T359-D363 PolarHBondContact O-N 3.12Å
360Y64.9Low65.6Low116 Ų11678.3 Ų78.346%0.45540%0.404SS..Hα-helixtrans-60.2-44.4175.9176.2-100.6000112.7N356 P357 L358 D363 I364N356-Y360 PolarHBondContact O-N 3.2Å; P357-Y360 PolarHBondContact O-N 2.84Å; L358-Y360 VanDerWaalsContact C-N 3.32Å; L358-Y360 PolarHBondContact O-N 3.26Å; Y360-D363 PolarHBondContact O-N 2.77Å; Y360-I364 HydrophobicContact CD1-CD1 4.02Å; Y360-I364 HydrophobicContact CD2-CD1 4.03Å; Y360-I364 HydrophobicContact CE1-CD1 3.39Å; Y360-I364 HydrophobicContact CE2-CD1 3.4Å; Y360-I364 VanDerWaalsContact CE2-CD1 3.4Å; Y360-I364 HydrophobicContact CE2-CG1 4.24Å; Y360-I364 HydrophobicContact CG-CD1 4.31Å; Y360-I364 WeakPolarHBondContact O-CB 3.04Å; Y360-I364 WeakPolarHBondContact O-CG1 3.46Å; Y360-I364 PolarHBondContact O-N 3.4Å; Y360-I364 WeakPolarHBondContact OH-CD1 3.19Å
361I68Low66.7Low60 Ų6076.5 Ų76.531%0.30840%0.398SS..Hα-helixtrans-62.5-46.1176.2-71.1163.1000110.3F350 P357 L358 T359 T365F350-I361 HydrophobicContact CE1-CD1 4.46Å; F350-I361 HydrophobicContact CE2-CD1 4.22Å; F350-I361 HydrophobicContact CZ-CD1 4.2Å; P357-I361 WeakPolarHBondContact O-CB 2.83Å; P357-I361 WeakPolarHBondContact O-CD1 3.35Å; P357-I361 WeakPolarHBondContact O-CG1 3.39Å; P357-I361 PolarHBondContact O-N 2.79Å; L358-I361 PolarHBondContact O-N 3.39Å; T359-I361 PolarHBondContact O-N 2.98Å; I361-T365 WeakPolarHBondContact O-CB 3.46Å; I361-T365 PolarHBondContact O-N 3.01Å; I361-T365 PolarHBondContact O-OG1 3.21Å
362F70.4Confident67.9Low134 Ų13474.2 Ų74.259%0.58838%0.378SS*.Hα-helixtrans-62-46.5178-79.9-62.9000111.7L358 T359 T365 K366L358-F362 HydrophobicContact CB-CD2 4.36Å; L358-F362 HydrophobicContact CB-CE2 4.31Å; L358-F362 WeakPolarHBondContact O-CB 3.14Å; L358-F362 WeakPolarHBondContact O-CD2 3.46Å; L358-F362 PolarHBondContact O-N 3.11Å; T359-F362 PolarHBondContact O-N 3.38Å; F362-T365 PolarHBondContact O-N 3.37Å; F362-K366 VanDerWaalsContact O-CB 3.29Å; F362-K366 WeakPolarHBondContact O-CB 3.3Å; F362-K366 PolarHBondContact O-N 2.92Å
363D71.4Confident68.8Low102 Ų10268.6 Ų68.655%0.54536%0.355SS..Hα-helixtrans-63.3-44.2179.4-77.1-18.8000112T359 Y360 R367T359-D363 WeakPolarHBondContact O-CB 3.36Å; T359-D363 PolarHBondContact O-N 3.12Å; Y360-D363 PolarHBondContact O-N 2.77Å; D363-R367 WeakPolarHBondContact O-CB 3.49Å; D363-R367 PolarHBondContact O-N 3.4Å
364I76.4Confident69.7Low41 Ų4166.8 Ų66.821%0.2135%0.347CS..Hα-helixtrans-66.5-44176.5-76.9-175.8000111.4Y360 K366 R367 L368Y360-I364 HydrophobicContact CD1-CD1 4.02Å; Y360-I364 HydrophobicContact CD2-CD1 4.03Å; Y360-I364 HydrophobicContact CE1-CD1 3.39Å; Y360-I364 HydrophobicContact CE2-CD1 3.4Å; Y360-I364 VanDerWaalsContact CE2-CD1 3.4Å; Y360-I364 HydrophobicContact CE2-CG1 4.24Å; Y360-I364 HydrophobicContact CG-CD1 4.31Å; Y360-I364 WeakPolarHBondContact O-CB 3.04Å; Y360-I364 WeakPolarHBondContact O-CG1 3.46Å; Y360-I364 PolarHBondContact O-N 3.4Å; Y360-I364 WeakPolarHBondContact OH-CD1 3.19Å; I364-K366 VanDerWaalsContact C-N 3.32Å; I364-K366 PolarHBondContact O-N 3Å; I364-R367 PolarHBondContact O-N 2.67Å; I364-L368 HydrophobicContact CG2-CD1 3.56Å; I364-L368 HydrophobicContact CG2-CG 4.31Å; I364-L368 WeakPolarHBondContact O-CB 3.12Å; I364-L368 WeakPolarHBondContact O-CG 3.41Å; I364-L368 PolarHBondContact O-N 2.71Å
365T76.7Confident70.4Confident45 Ų4568.8 Ų68.828%0.27635%0.354SS..Hα-helixtrans-62-43.4178.9-58.70000110.6I361 F362 L368 G369 F387 L391I361-T365 WeakPolarHBondContact O-CB 3.46Å; I361-T365 PolarHBondContact O-N 3.01Å; I361-T365 PolarHBondContact O-OG1 3.21Å; F362-T365 PolarHBondContact O-N 3.37Å; T365-L368 PolarHBondContact O-N 3.45Å; T365-G369 PolarHBondContact O-N 2.65Å; T365-F387 HydrophobicContact CG2-CE1 4.09Å; T365-F387 HydrophobicContact CG2-CZ 4.47Å; T365-L391 HydrophobicContact CG2-CD2 4.1Å
366K77Confident71.1Confident114 Ų11465.1 Ų65.150%0.49633%0.33SS..Hα-helixtrans-60-50174.6-176.5175.9180176.80111.4F362 I364 L368 G369 D370F362-K366 VanDerWaalsContact O-CB 3.29Å; F362-K366 WeakPolarHBondContact O-CB 3.3Å; F362-K366 PolarHBondContact O-N 2.92Å; I364-K366 VanDerWaalsContact C-N 3.32Å; I364-K366 PolarHBondContact O-N 3Å; K366-L368 VanDerWaalsContact C-N 3.34Å; K366-L368 PolarHBondContact O-N 3.05Å; K366-G369 WeakPolarHBondContact O-CA 3.36Å; K366-G369 PolarHBondContact O-N 3.37Å; K366-G369 VanDerWaalsContact O-N 3.11Å; K366-D370 PolarHBondContact O-N 3.34Å
367R76.1Confident71.4Confident144 Ų14461.1 Ų61.154%0.54331%0.309SS..Hα-helixtrans-62.3-38.5178.9-173.7178.4171-159.9-7.2112.8D363 I364 L371 I434D363-R367 WeakPolarHBondContact O-CB 3.49Å; D363-R367 PolarHBondContact O-N 3.4Å; I364-R367 PolarHBondContact O-N 2.67Å; R367-L371 PolarHBondContact O-N 2.73Å; R367-L371 VanDerWaalsContact O-N 3.11Å; R367-I434 HydrophobicContact CG-CD1 4.03Å
368L80.4Confident71.7Confident7 Ų766.3 Ų66.34%0.03733%0.329CS..Hα-helixtrans-63.6-42.8173.1-80.6161.4000111.2I364 T365 K366 L371 Y372 F387 L391 M427 I430 I431 I434I364-L368 HydrophobicContact CG2-CD1 3.56Å; I364-L368 HydrophobicContact CG2-CG 4.31Å; I364-L368 WeakPolarHBondContact O-CB 3.12Å; I364-L368 WeakPolarHBondContact O-CG 3.41Å; I364-L368 PolarHBondContact O-N 2.71Å; T365-L368 PolarHBondContact O-N 3.45Å; K366-L368 VanDerWaalsContact C-N 3.34Å; K366-L368 PolarHBondContact O-N 3.05Å; L368-L371 PolarHBondContact O-N 3.27Å; L368-Y372 WeakPolarHBondContact O-CB 3.47Å; L368-Y372 PolarHBondContact O-N 3.04Å; L368-F387 HydrophobicContact CB-CE2 4.02Å; L368-F387 HydrophobicContact CB-CZ 3.84Å; L368-L391 HydrophobicContact CD1-CD1 3.65Å; L368-L391 HydrophobicContact CD1-CD2 4.04Å; L368-M427 HydrophobicContact CD2-CE 4.28Å; L368-I430 HydrophobicContact CD2-CG2 3.89Å; L368-I431 HydrophobicContact CD2-CG1 3.92Å; L368-I434 HydrophobicContact CB-CD1 4.24Å; L368-I434 HydrophobicContact CD2-CB 4.3Å; L368-I434 HydrophobicContact CD2-CD1 3.49Å; L368-I434 VanDerWaalsContact CD2-CD1 3.49Å; L368-I434 HydrophobicContact CD2-CG1 4.4Å; L368-I434 HydrophobicContact CD2-CG2 4.46Å; L368-I434 HydrophobicContact CG-CD1 3.63Å; L368-I434 HydrophobicContact CG-CG2 4.48Å
369G78.1Confident71.2Confident15 Ų1562.5 Ų62.516%0.15531%0.31CS..Hα-helixtrans-60.8-47.2176.200000111.8T365 K366 L371 Y372 V373 F387T365-G369 PolarHBondContact O-N 2.65Å; K366-G369 WeakPolarHBondContact O-CA 3.36Å; K366-G369 PolarHBondContact O-N 3.37Å; K366-G369 VanDerWaalsContact O-N 3.11Å; G369-L371 VanDerWaalsContact C-N 3.35Å; G369-L371 PolarHBondContact O-N 3.03Å; G369-Y372 PolarHBondContact O-N 3.42Å; G369-Y372 VanDerWaalsContact O-N 3.12Å; G369-V373 WeakPolarHBondContact O-CG2 3.41Å; G369-V373 PolarHBondContact O-N 2.94Å; G369-F387 VanDerWaalsContact CA-CZ 3.48Å; G369-F387 VanDerWaalsContact N-CZ 3.3Å
370D76.4Confident70.5Confident99 Ų9967.6 Ų67.653%0.52933%0.329SS..Hα-helixtrans-60.6-42.4177.8-66.6-21.1000111.9K366 S374K366-D370 PolarHBondContact O-N 3.34Å; D370-S374 VanDerWaalsContact O-CB 3.26Å; D370-S374 WeakPolarHBondContact O-CB 3.17Å; D370-S374 PolarHBondContact O-N 2.83Å; D370-S374 PolarHBondContact O-OG 3.46Å
371L76.5Confident69.8Low45 Ų4566.7 Ų66.724%0.23634%0.34CS..Hα-helixtrans-67.2-38174-72.4-167.6000112.4R367 L368 G369 S374 E375 I430 I434R367-L371 PolarHBondContact O-N 2.73Å; R367-L371 VanDerWaalsContact O-N 3.11Å; L368-L371 PolarHBondContact O-N 3.27Å; G369-L371 VanDerWaalsContact C-N 3.35Å; G369-L371 PolarHBondContact O-N 3.03Å; L371-S374 WeakPolarHBondContact CA-OG 3.13Å; L371-S374 PolarHBondContact O-N 3.02Å; L371-S374 PolarHBondContact O-OG 3.5Å; L371-E375 VanDerWaalsContact O-CB 3.27Å; L371-E375 WeakPolarHBondContact O-CB 3.36Å; L371-E375 PolarHBondContact O-N 3.04Å; L371-I430 HydrophobicContact CB-CG2 3.66Å; L371-I430 HydrophobicContact CD1-CG2 3.99Å; L371-I430 HydrophobicContact CG-CG2 4.49Å; L371-I434 HydrophobicContact CB-CD1 4.49Å; L371-I434 HydrophobicContact CD1-CD1 3.37Å; L371-I434 HydrophobicContact CD1-CG1 3.51Å; L371-I434 HydrophobicContact CG-CD1 4.06Å
372Y77.1Confident68.8Low1 Ų167.4 Ų67.40%0.00434%0.344CS..Hα-helixtrans-66.1-44.4178.7-170.2-124.2000111.9L368 G369 V376 I377 V383 E386 F387 K426 M427 I430L368-Y372 WeakPolarHBondContact O-CB 3.47Å; L368-Y372 PolarHBondContact O-N 3.04Å; G369-Y372 PolarHBondContact O-N 3.42Å; G369-Y372 VanDerWaalsContact O-N 3.12Å; Y372-V376 HydrophobicContact CD2-CB 3.85Å; Y372-V376 HydrophobicContact CD2-CG1 4.3Å; Y372-V376 HydrophobicContact CD2-CG2 3.68Å; Y372-V376 HydrophobicContact CE2-CB 3.85Å; Y372-V376 HydrophobicContact CE2-CG1 3.78Å; Y372-V376 HydrophobicContact CE2-CG2 3.88Å; Y372-V376 WeakPolarHBondContact O-CA 3.37Å; Y372-V376 VanDerWaalsContact O-CB 3.26Å; Y372-V376 WeakPolarHBondContact O-CB 3.34Å; Y372-V376 PolarHBondContact O-N 3.31Å; Y372-I377 HydrophobicContact CD1-CD1 3.91Å; Y372-I377 HydrophobicContact CE1-CD1 3.28Å; Y372-I377 HydrophobicContact CE1-CG1 4.16Å; Y372-I377 PolarHBondContact O-N 3.46Å; Y372-V383 HydrophobicContact CD1-CG1 3.35Å; Y372-V383 HydrophobicContact CE1-CG1 3.26Å; Y372-E386 PolarHBondContact OH-OE1 3.21Å; Y372-F387 HydrophobicContact CD1-CB 3.86Å; Y372-F387 AromaticContact CD1-CD2 3.55Å; Y372-F387 HydrophobicContact CD1-CD2 3.55Å; Y372-F387 HydrophobicContact CD1-CG 4.09Å; Y372-F387 HydrophobicContact CE1-CB 3.89Å; Y372-F387 HydrophobicContact CE1-CD2 4.23Å; Y372-F387 AromaticContact CG-CD2 3.83Å; Y372-F387 HydrophobicContact CG-CD2 3.83Å; Y372-F387 HydrophobicContact CG-CE2 4.45Å; Y372-K426 HydrophobicContact CE2-CB 3.78Å; Y372-K426 WeakPolarHBondContact OH-CD 3.22Å; Y372-M427 HydrophobicContact CD1-SD 4.33Å; Y372-M427 HydrophobicContact CD2-CG 4.07Å; Y372-M427 HydrophobicContact CD2-SD 3.24Å; Y372-M427 WeakPolarHBondContact CD2-SD 3.15Å; Y372-M427 HydrophobicContact CE2-CG 3.88Å; Y372-M427 HydrophobicContact CE2-SD 3.69Å; Y372-M427 HydrophobicContact CG-SD 3.62Å; Y372-I430 HydrophobicContact CD2-CD1 3.62Å; Y372-I430 HydrophobicContact CG-CD1 4.3Å
373V74.1Confident68.1Low39 Ų3961.5 Ų61.524%0.23632%0.319CS..Iπ-helixtrans-64.7-45.2175175.80000110.4G369 K378 E380G369-V373 WeakPolarHBondContact O-CG2 3.41Å; G369-V373 PolarHBondContact O-N 2.94Å; V373-K378 VanDerWaalsContact O-CA 3.22Å; V373-K378 WeakPolarHBondContact O-CA 3.48Å; V373-K378 PolarHBondContact O-N 3.27Å; V373-E380 HydrophobicContact CG1-CG 3.96Å
374S71Confident67.9Low69 Ų6963.1 Ų63.148%0.48332%0.323SS..Iπ-helixtrans-73.7-41.2-176.459.80000114.5D370 L371D370-S374 VanDerWaalsContact O-CB 3.26Å; D370-S374 WeakPolarHBondContact O-CB 3.17Å; D370-S374 PolarHBondContact O-N 2.83Å; D370-S374 PolarHBondContact O-OG 3.46Å; L371-S374 WeakPolarHBondContact CA-OG 3.13Å; L371-S374 PolarHBondContact O-N 3.02Å; L371-S374 PolarHBondContact O-OG 3.5Å
375E69.5Low67.6Low56 Ų5664 Ų6426%0.26233%0.328SS..Iπ-helixtrans-88.2-32.2-176-63.7-164.1168.600113.4L371 K433L371-E375 VanDerWaalsContact O-CB 3.27Å; L371-E375 WeakPolarHBondContact O-CB 3.36Å; L371-E375 PolarHBondContact O-N 3.04Å; E375-K433 IonicContact OE1-NZ 3.02Å; E375-K433 PolarHBondContact OE1-NZ 3.44Å; E375-K433 IonicContact OE2-NZ 2.7Å; E375-K433 PolarHBondContact OE2-NZ 3.15Å
376V67.4Low67.6Low5 Ų563.3 Ų63.33%0.0332%0.322CS..Iπ-helixtrans-109.7-61.7-168.3-175.70000112.6Y372 K426 I430 I617Y372-V376 HydrophobicContact CD2-CB 3.85Å; Y372-V376 HydrophobicContact CD2-CG1 4.3Å; Y372-V376 HydrophobicContact CD2-CG2 3.68Å; Y372-V376 HydrophobicContact CE2-CB 3.85Å; Y372-V376 HydrophobicContact CE2-CG1 3.78Å; Y372-V376 HydrophobicContact CE2-CG2 3.88Å; Y372-V376 WeakPolarHBondContact O-CA 3.37Å; Y372-V376 VanDerWaalsContact O-CB 3.26Å; Y372-V376 WeakPolarHBondContact O-CB 3.34Å; Y372-V376 PolarHBondContact O-N 3.31Å; V376-K426 HydrophobicContact CG1-CB 3.9Å; V376-K426 HydrophobicContact CG1-CD 3.93Å; V376-K426 HydrophobicContact CG1-CG 4.16Å; V376-I430 HydrophobicContact CG2-CD1 3.8Å; V376-I617 HydrophobicContact CG1-CG1 4.44Å
377I64.8Low67.9Low5 Ų558.7 Ų58.73%0.02630%0.302CS..Iπ-helixtrans-91.8-32.8-165.2-64.2179.7000112.1Y372 V379 V383 V613Y372-I377 HydrophobicContact CD1-CD1 3.91Å; Y372-I377 HydrophobicContact CE1-CD1 3.28Å; Y372-I377 HydrophobicContact CE1-CG1 4.16Å; Y372-I377 PolarHBondContact O-N 3.46Å; I377-V379 HydrophobicContact CG2-CB 4.11Å; I377-V379 WeakPolarHBondContact CG2-O 3.35Å; I377-V379 PolarHBondContact O-N 3.44Å; I377-V383 HydrophobicContact CB-CG2 4.13Å; I377-V383 HydrophobicContact CD1-CB 3.93Å; I377-V383 HydrophobicContact CD1-CG1 3.37Å; I377-V383 HydrophobicContact CD1-CG2 3.28Å; I377-V383 HydrophobicContact CG1-CG2 4.27Å; I377-V383 HydrophobicContact CG2-CG2 3.68Å; I377-V613 HydrophobicContact CG2-CG1 3.85Å; I377-V613 HydrophobicContact CG2-CG2 4.3Å
378K62Low68Low128 Ų12855.2 Ų55.256%0.55730%0.296SS*.  trans55.614.6-178.3-56.6178.8179.5175.60114.2V373V373-K378 VanDerWaalsContact O-CA 3.22Å; V373-K378 WeakPolarHBondContact O-CA 3.48Å; V373-K378 PolarHBondContact O-N 3.27Å
379V51.1Low68.2Low24 Ų2458.6 Ų58.615%0.14531%0.308CS..  trans-146.5123.5-177.7176.40000107.9I377 S381 L609 V613I377-V379 HydrophobicContact CG2-CB 4.11Å; I377-V379 WeakPolarHBondContact CG2-O 3.35Å; I377-V379 PolarHBondContact O-N 3.44Å; V379-S381 VanDerWaalsContact C-N 3.33Å; V379-S381 PolarHBondContact O-N 2.95Å; V379-L609 HydrophobicContact CB-CD2 4.11Å; V379-L609 HydrophobicContact CG1-CD2 3.37Å; V379-L609 HydrophobicContact CG2-CD2 3.53Å; V379-V613 HydrophobicContact CB-CG2 3.64Å; V379-V613 HydrophobicContact CG1-CG2 4.29Å; V379-V613 HydrophobicContact CG2-CG2 3.33Å
380E50.8Low68.7Low170 Ų17057.9 Ų57.979%0.79430%0.301SS*.G310 helixtrans-72.9-22.9-172.6-69.6169.8-177.900113.4V373 I382V373-E380 HydrophobicContact CG1-CG 3.96Å; E380-I382 PolarHBondContact O-N 3.4Å
381S50.8Low69.2Low98 Ų9854.2 Ų54.269%0.68528%0.281SS*.G310 helixtrans-83-9.9-160.867.50000117.1V379V379-S381 VanDerWaalsContact C-N 3.33Å; V379-S381 PolarHBondContact O-N 2.95Å
382I46.3Very low69.6Low75 Ų7558.7 Ų58.739%0.38530%0.296SS..G310 helixtrans-112.55.5-165-73.8163.5000114.3E380 L610E380-I382 PolarHBondContact O-N 3.4Å; I382-L610 HydrophobicContact CD1-CD1 3.71Å
383V57Low70.1Confident10 Ų1058.7 Ų58.76%0.06130%0.296CS..  trans-114.8-18.8-146.1-168.70000117.5Y372 I377 D385 E386 F387Y372-V383 HydrophobicContact CD1-CG1 3.35Å; Y372-V383 HydrophobicContact CE1-CG1 3.26Å; I377-V383 HydrophobicContact CB-CG2 4.13Å; I377-V383 HydrophobicContact CD1-CB 3.93Å; I377-V383 HydrophobicContact CD1-CG1 3.37Å; I377-V383 HydrophobicContact CD1-CG2 3.28Å; I377-V383 HydrophobicContact CG1-CG2 4.27Å; I377-V383 HydrophobicContact CG2-CG2 3.68Å; V383-D385 PolarHBondContact O-N 3.03Å; V383-E386 PolarHBondContact O-N 3.23Å; V383-F387 HydrophobicContact CG1-CB 3.74Å; V383-F387 VanDerWaalsContact O-CB 3.22Å; V383-F387 WeakPolarHBondContact O-CB 3.42Å; V383-F387 PolarHBondContact O-N 3.4Å
384Q65.8Low70.8Confident136 Ų13656.9 Ų56.964%0.63629%0.285SS*.Hα-helixtrans-58.8-50.9-162.5-70-172.3-7.300113.8V388Q384-V388 WeakPolarHBondContact O-CB 3.45Å; Q384-V388 WeakPolarHBondContact O-CG2 3.32Å; Q384-V388 PolarHBondContact O-N 3.21Å
385D71.7Confident71.6Confident58 Ų5856.6 Ų56.631%0.3128%0.283SS..Hα-helixtrans-71.3-43.9-176.4-177.564.8000113.1V383 F387 V388 R389V383-D385 PolarHBondContact O-N 3.03Å; D385-F387 PolarHBondContact O-N 2.84Å; D385-V388 PolarHBondContact O-N 2.66Å; D385-R389 WeakPolarHBondContact O-CB 3.4Å; D385-R389 VanDerWaalsContact O-CG 3.29Å; D385-R389 WeakPolarHBondContact O-CG 3.41Å; D385-R389 PolarHBondContact O-N 2.85Å; D385-R389 IonicContact OD1-CZ 3.47Å; D385-R389 VanDerWaalsContact OD1-CZ 3.32Å; D385-R389 IonicContact OD1-NE 3.2Å; D385-R389 PolarHBondContact OD1-NE 3.47Å; D385-R389 IonicContact OD1-NH2 2.59Å; D385-R389 PolarHBondContact OD1-NH2 2.87Å; D385-R389 VanDerWaalsContact OD1-NH2 3.09Å; D385-R389 IonicContact OD2-CZ 3.8Å; D385-R389 IonicContact OD2-NE 3.03Å; D385-R389 PolarHBondContact OD2-NE 3.36Å; D385-R389 IonicContact OD2-NH1 3.59Å; D385-R389 IonicContact OD2-NH2 3.91Å; D385-R389 PolarHBondContact OD2-NH2 3.28Å
386E76.4Confident72.3Confident31 Ų3155.4 Ų55.415%0.14528%0.277CS..Hα-helixtrans-62.1-43.9177.6178.5178.1149.900111.6Y372 V383 S390 L419 N423 K426Y372-E386 PolarHBondContact OH-OE1 3.21Å; V383-E386 PolarHBondContact O-N 3.23Å; E386-S390 WeakPolarHBondContact O-CB 3.32Å; E386-S390 PolarHBondContact O-N 3.37Å; E386-L419 HydrophobicContact CG-CD1 4.22Å; E386-N423 HydrophobicContact CG-CB 4.14Å; E386-N423 WeakPolarHBondContact OE1-CB 3.07Å; E386-K426 IonicContact OE1-NZ 3.89Å; E386-K426 PolarHBondContact OE1-NZ 3.4Å; E386-K426 IonicContact OE2-NZ 3.25Å
387F81.8Confident73.2Confident18 Ų1855.4 Ų55.48%0.07928%0.277CS..Hα-helixtrans-62.7-49.8177.5166.6-102000111.5T365 L368 G369 Y372 V383 D385 R389 S390 L391 M427T365-F387 HydrophobicContact CG2-CE1 4.09Å; T365-F387 HydrophobicContact CG2-CZ 4.47Å; L368-F387 HydrophobicContact CB-CE2 4.02Å; L368-F387 HydrophobicContact CB-CZ 3.84Å; G369-F387 VanDerWaalsContact CA-CZ 3.48Å; G369-F387 VanDerWaalsContact N-CZ 3.3Å; Y372-F387 HydrophobicContact CD1-CB 3.86Å; Y372-F387 AromaticContact CD1-CD2 3.55Å; Y372-F387 HydrophobicContact CD1-CD2 3.55Å; Y372-F387 HydrophobicContact CD1-CG 4.09Å; Y372-F387 HydrophobicContact CE1-CB 3.89Å; Y372-F387 HydrophobicContact CE1-CD2 4.23Å; Y372-F387 AromaticContact CG-CD2 3.83Å; Y372-F387 HydrophobicContact CG-CD2 3.83Å; Y372-F387 HydrophobicContact CG-CE2 4.45Å; V383-F387 HydrophobicContact CG1-CB 3.74Å; V383-F387 VanDerWaalsContact O-CB 3.22Å; V383-F387 WeakPolarHBondContact O-CB 3.42Å; V383-F387 PolarHBondContact O-N 3.4Å; D385-F387 PolarHBondContact O-N 2.84Å; F387-R389 PolarHBondContact O-N 3.46Å; F387-S390 PolarHBondContact O-N 2.82Å; F387-L391 HydrophobicContact CE1-CD2 4.3Å; F387-L391 HydrophobicContact CZ-CD2 4.04Å; F387-L391 VanDerWaalsContact O-CB 3.3Å; F387-L391 WeakPolarHBondContact O-CB 3.37Å; F387-L391 PolarHBondContact O-N 2.8Å; F387-M427 HydrophobicContact CD2-CE 3.74Å; F387-M427 HydrophobicContact CD2-SD 3.76Å; F387-M427 HydrophobicContact CE2-CE 3.42Å; F387-M427 VanDerWaalsContact CE2-CE 3.42Å; F387-M427 HydrophobicContact CE2-SD 3.93Å; F387-M427 HydrophobicContact CZ-CE 4.41Å
388V80.1Confident74.3Confident70 Ų7056.5 Ų56.542%0.42428%0.284SS..Hα-helixtrans-61.7-46.3-179.1171.50000110.6Q384 D385 S390 L391 Y392Q384-V388 WeakPolarHBondContact O-CB 3.45Å; Q384-V388 WeakPolarHBondContact O-CG2 3.32Å; Q384-V388 PolarHBondContact O-N 3.21Å; D385-V388 PolarHBondContact O-N 2.66Å; V388-S390 PolarHBondContact O-N 3.44Å; V388-L391 PolarHBondContact O-N 3.38Å; V388-Y392 VanDerWaalsContact O-CB 3.25Å; V388-Y392 WeakPolarHBondContact O-CB 3.22Å; V388-Y392 PolarHBondContact O-N 3.29Å
389R84.4Confident75.3Confident78 Ų7854.4 Ų54.429%0.29428%0.282SS..Hα-helixtrans-63.7-40.3177.6-71.3-179.6-169.8-170.68.8112.6D385 F387 G393 I417 L419D385-R389 WeakPolarHBondContact O-CB 3.4Å; D385-R389 VanDerWaalsContact O-CG 3.29Å; D385-R389 WeakPolarHBondContact O-CG 3.41Å; D385-R389 PolarHBondContact O-N 2.85Å; D385-R389 IonicContact OD1-CZ 3.47Å; D385-R389 VanDerWaalsContact OD1-CZ 3.32Å; D385-R389 IonicContact OD1-NE 3.2Å; D385-R389 PolarHBondContact OD1-NE 3.47Å; D385-R389 IonicContact OD1-NH2 2.59Å; D385-R389 PolarHBondContact OD1-NH2 2.87Å; D385-R389 VanDerWaalsContact OD1-NH2 3.09Å; D385-R389 IonicContact OD2-CZ 3.8Å; D385-R389 IonicContact OD2-NE 3.03Å; D385-R389 PolarHBondContact OD2-NE 3.36Å; D385-R389 IonicContact OD2-NH1 3.59Å; D385-R389 IonicContact OD2-NH2 3.91Å; D385-R389 PolarHBondContact OD2-NH2 3.28Å; F387-R389 PolarHBondContact O-N 3.46Å; R389-G393 PolarHBondContact O-N 3.45Å; R389-I417 HydrophobicContact CB-CB 4.49Å; R389-L419 HydrophobicContact CB-CD2 4.43Å
390S86.8Confident76.7Confident0 Ų054.9 Ų54.90%028%0.282CS..Hα-helixtrans-69.4-43179.2-168.60000111.7E386 F387 V388 G393 N394 Y424 M427E386-S390 WeakPolarHBondContact O-CB 3.32Å; E386-S390 PolarHBondContact O-N 3.37Å; F387-S390 PolarHBondContact O-N 2.82Å; V388-S390 PolarHBondContact O-N 3.44Å; S390-G393 PolarHBondContact O-N 2.83Å; S390-N394 PolarHBondContact O-N 2.88Å; S390-N394 PolarHBondContact O-ND2 3.04Å; S390-Y424 PolarHBondContact OG-O 3.38Å; S390-M427 VanDerWaalsContact OG-CB 3.32Å; S390-M427 WeakPolarHBondContact OG-CB 3.37Å; S390-M427 VanDerWaalsContact OG-CG 3.25Å; S390-M427 WeakPolarHBondContact OG-CG 3.47Å
391L87.1Confident78.2Confident22 Ų2249 Ų4912%0.11525%0.254CS..Hα-helixtrans-59.6-51173.2176.954000110.9T365 L368 F387 V388 G393 N394 C395 M427 I431T365-L391 HydrophobicContact CG2-CD2 4.1Å; L368-L391 HydrophobicContact CD1-CD1 3.65Å; L368-L391 HydrophobicContact CD1-CD2 4.04Å; F387-L391 HydrophobicContact CE1-CD2 4.3Å; F387-L391 HydrophobicContact CZ-CD2 4.04Å; F387-L391 VanDerWaalsContact O-CB 3.3Å; F387-L391 WeakPolarHBondContact O-CB 3.37Å; F387-L391 PolarHBondContact O-N 2.8Å; V388-L391 PolarHBondContact O-N 3.38Å; L391-G393 VanDerWaalsContact C-N 3.3Å; L391-G393 PolarHBondContact O-N 3.1Å; L391-N394 PolarHBondContact O-N 2.94Å; L391-N394 VanDerWaalsContact O-N 3.15Å; L391-C395 PolarHBondContact O-N 3.48Å; L391-C395 PolarHBondContact O-SG 3.46Å; L391-M427 HydrophobicContact CB-CE 4.2Å; L391-M427 HydrophobicContact CD1-CE 4.39Å; L391-I431 HydrophobicContact CD1-CD1 4.04Å; L391-I431 HydrophobicContact CD1-CG1 4.44Å
392Y85.5Confident79.7Confident140 Ų14048 Ų4855%0.54925%0.247SC..Hα-helixtrans-60-41.1179-172.3-121.1000112.1V388 N394 C395 I396 V416 I417V388-Y392 VanDerWaalsContact O-CB 3.25Å; V388-Y392 WeakPolarHBondContact O-CB 3.22Å; V388-Y392 PolarHBondContact O-N 3.29Å; Y392-N394 VanDerWaalsContact C-N 3.35Å; Y392-N394 PolarHBondContact O-N 2.69Å; Y392-C395 WeakPolarHBondContact O-CB 3.23Å; Y392-C395 PolarHBondContact O-N 3.3Å; Y392-I396 HydrophobicContact CD1-CD1 3.59Å; Y392-I396 HydrophobicContact CE1-CD1 3.37Å; Y392-I396 HydrophobicContact CE1-CG1 4.26Å; Y392-I396 HydrophobicContact CE2-CD1 4.36Å; Y392-I396 HydrophobicContact CE2-CG1 4.42Å; Y392-I396 HydrophobicContact CG-CD1 4.2Å; Y392-I396 WeakPolarHBondContact O-CG1 3.45Å; Y392-I396 PolarHBondContact O-N 3.09Å; Y392-V416 HydrophobicContact CE1-CG1 4.26Å; Y392-I417 HydrophobicContact CD1-CG2 4.05Å
393G88.3Confident81.1Confident0 Ų054.1 Ų54.10%027%0.267CS..Hα-helixtrans-60.1-41.617500000113.5R389 S390 L391 I396 E397R389-G393 PolarHBondContact O-N 3.45Å; S390-G393 PolarHBondContact O-N 2.83Å; L391-G393 VanDerWaalsContact C-N 3.3Å; L391-G393 PolarHBondContact O-N 3.1Å; G393-I396 PolarHBondContact O-N 3.02Å; G393-E397 PolarHBondContact O-N 2.88Å
394N88.6Confident81.8Confident1 Ų157 Ų571%0.00528%0.282CS..Hα-helixtrans-68-39.8174.9-80.1-89.3000111.7S390 L391 Y392 I396 E397 V398 Y424 I431S390-N394 PolarHBondContact O-N 2.88Å; S390-N394 PolarHBondContact O-ND2 3.04Å; L391-N394 PolarHBondContact O-N 2.94Å; L391-N394 VanDerWaalsContact O-N 3.15Å; Y392-N394 VanDerWaalsContact C-N 3.35Å; Y392-N394 PolarHBondContact O-N 2.69Å; N394-I396 PolarHBondContact O-N 2.86Å; N394-E397 PolarHBondContact O-N 3.18Å; N394-V398 VanDerWaalsContact O-CG2 3.27Å; N394-V398 WeakPolarHBondContact O-CG2 3.44Å; N394-V398 PolarHBondContact O-N 3.28Å; N394-Y424 WeakPolarHBondContact CA-OH 3.11Å; N394-Y424 WeakPolarHBondContact ND2-CE2 3.38Å; N394-Y424 PolarHBondContact OD1-OH 3.4Å; N394-I431 HydrophobicContact CB-CD1 3.19Å
395C86.5Confident81.9Confident64 Ų6454.6 Ų54.643%0.43228%0.278SS..Hα-helixtrans-60.2-44.7174.3-66.80000111.6L391 Y392 E397 V398 V399L391-C395 PolarHBondContact O-N 3.48Å; L391-C395 PolarHBondContact O-SG 3.46Å; Y392-C395 WeakPolarHBondContact O-CB 3.23Å; Y392-C395 PolarHBondContact O-N 3.3Å; C395-E397 VanDerWaalsContact C-N 3.34Å; C395-E397 PolarHBondContact O-N 2.92Å; C395-V398 PolarHBondContact O-N 3.04Å; C395-V399 WeakPolarHBondContact O-CG2 3.34Å; C395-V399 PolarHBondContact O-N 3.09Å
396I85.4Confident81.6Confident30 Ų3057.3 Ų57.315%0.15430%0.297CS..Hα-helixtrans-59.7-45.3175.4-70.9160.2000110.7Y392 G393 N394 V399 H400 A412 V416 I417Y392-I396 HydrophobicContact CD1-CD1 3.59Å; Y392-I396 HydrophobicContact CE1-CD1 3.37Å; Y392-I396 HydrophobicContact CE1-CG1 4.26Å; Y392-I396 HydrophobicContact CE2-CD1 4.36Å; Y392-I396 HydrophobicContact CE2-CG1 4.42Å; Y392-I396 HydrophobicContact CG-CD1 4.2Å; Y392-I396 WeakPolarHBondContact O-CG1 3.45Å; Y392-I396 PolarHBondContact O-N 3.09Å; G393-I396 PolarHBondContact O-N 3.02Å; N394-I396 PolarHBondContact O-N 2.86Å; I396-V399 PolarHBondContact O-N 3.13Å; I396-H400 WeakPolarHBondContact O-CB 3.34Å; I396-H400 PolarHBondContact O-N 3.46Å; I396-A412 HydrophobicContact CG2-CB 3.88Å; I396-V416 HydrophobicContact CD1-CB 4.21Å; I396-V416 HydrophobicContact CD1-CG1 3.42Å; I396-V416 VanDerWaalsContact CD1-CG1 3.42Å; I396-I417 HydrophobicContact CD1-CG2 4.2Å
397E86.7Confident81Confident6 Ų660.9 Ų60.93%0.02831%0.309CS..Hα-helixtrans-65.1-39.9179.9-177.464.8-156.200112.3G393 N394 C395 H400 F401 Q445 I449G393-E397 PolarHBondContact O-N 2.88Å; N394-E397 PolarHBondContact O-N 3.18Å; C395-E397 VanDerWaalsContact C-N 3.34Å; C395-E397 PolarHBondContact O-N 2.92Å; E397-H400 PolarHBondContact O-N 2.7Å; E397-F401 VanDerWaalsContact O-CB 3.29Å; E397-F401 WeakPolarHBondContact O-CB 3.27Å; E397-F401 PolarHBondContact O-N 3.27Å; E397-Q445 PolarHBondContact OE1-NE2 3.44Å; E397-I449 VanDerWaalsContact CD-CD1 3.42Å; E397-I449 HydrophobicContact CG-CD1 3.3Å; E397-I449 VanDerWaalsContact OE1-CD1 3.3Å; E397-I449 WeakPolarHBondContact OE1-CD1 3.43Å
398V86.4Confident80.4Confident28 Ų2865 Ų6517%0.1733%0.331CS..Hα-helixtrans-60.7-47.8175.1166.40000110.7N394 C395 S402 F438 M442 L446N394-V398 VanDerWaalsContact O-CG2 3.27Å; N394-V398 WeakPolarHBondContact O-CG2 3.44Å; N394-V398 PolarHBondContact O-N 3.28Å; C395-V398 PolarHBondContact O-N 3.04Å; V398-S402 WeakPolarHBondContact O-CB 3.26Å; V398-S402 PolarHBondContact O-N 3.38Å; V398-S402 PolarHBondContact O-OG 3.03Å; V398-F438 HydrophobicContact CG1-CE1 4.05Å; V398-F438 HydrophobicContact CG2-CE1 4.19Å; V398-F438 HydrophobicContact CG2-CZ 3.91Å; V398-M442 HydrophobicContact CB-CE 4.3Å; V398-M442 HydrophobicContact CB-SD 4.28Å; V398-M442 HydrophobicContact CG1-CE 3.89Å; V398-M442 HydrophobicContact CG1-SD 4.31Å; V398-M442 HydrophobicContact CG2-SD 3.92Å; V398-M442 WeakPolarHBondContact O-CE 3.5Å; V398-L446 HydrophobicContact CG2-CD2 4.49Å
399V83.2Confident80.6Confident83 Ų8362 Ų6250%0.50331%0.313SS..Hα-helixtrans-63.4-50.1176.6172.90000109.9C395 I396 F401 S402 Y403C395-V399 WeakPolarHBondContact O-CG2 3.34Å; C395-V399 PolarHBondContact O-N 3.09Å; I396-V399 PolarHBondContact O-N 3.13Å; V399-F401 PolarHBondContact O-N 2.97Å; V399-S402 WeakPolarHBondContact O-CB 3.37Å; V399-S402 PolarHBondContact O-N 3.31Å; V399-Y403 HydrophobicContact CG1-CD2 3.98Å; V399-Y403 HydrophobicContact CG1-CE2 4.13Å; V399-Y403 WeakPolarHBondContact O-CD2 3.21Å; V399-Y403 PolarHBondContact O-N 3.03Å
400H80.6Confident80.7Confident35 Ų3559.3 Ų59.316%0.16231%0.306CS..Hα-helixtrans-60.4-45.9-176.6180-89.2000112.2I396 E397 S402 Y403 N404 R407I396-H400 WeakPolarHBondContact O-CB 3.34Å; I396-H400 PolarHBondContact O-N 3.46Å; E397-H400 PolarHBondContact O-N 2.7Å; H400-S402 PolarHBondContact O-N 2.98Å; H400-Y403 PolarHBondContact O-N 3.31Å; H400-N404 PolarHBondContact CE1-O 3.43Å; H400-N404 CarbonylContact O-C 3.58Å; H400-N404 PolarHBondContact O-N 2.95Å; H400-R407 WeakPolarHBondContact NE2-CD 3.44Å
401F83.9Confident80.5Confident45 Ų4563.6 Ų63.620%0.19732%0.322CS..Hα-helixtrans-63-31.5175.8-178-103.7000112.8E397 V399 P405 E441 M442 Q445E397-F401 VanDerWaalsContact O-CB 3.29Å; E397-F401 WeakPolarHBondContact O-CB 3.27Å; E397-F401 PolarHBondContact O-N 3.27Å; V399-F401 PolarHBondContact O-N 2.97Å; F401-P405 HydrophobicContact CD2-CB 4.14Å; F401-P405 HydrophobicContact CE2-CB 4.08Å; F401-E441 HydrophobicContact CE1-CB 4.42Å; F401-M442 HydrophobicContact CB-CE 4.28Å; F401-M442 HydrophobicContact CD1-CE 3.61Å; F401-M442 HydrophobicContact CD1-SD 3.94Å; F401-M442 HydrophobicContact CE1-CE 4.49Å; F401-M442 HydrophobicContact CG-CE 4.41Å; F401-Q445 HydrophobicContact CB-CG 4.24Å; F401-Q445 HydrophobicContact CD1-CB 4.15Å; F401-Q445 HydrophobicContact CD1-CG 4.27Å; F401-Q445 HydrophobicContact CD2-CB 3.96Å; F401-Q445 HydrophobicContact CD2-CG 3.51Å; F401-Q445 HydrophobicContact CE1-CB 4.01Å; F401-Q445 HydrophobicContact CE2-CB 3.82Å; F401-Q445 HydrophobicContact CE2-CG 3.83Å; F401-Q445 HydrophobicContact CG-CB 4.11Å; F401-Q445 HydrophobicContact CG-CG 3.74Å; F401-Q445 HydrophobicContact CZ-CB 3.84Å; F401-Q445 HydrophobicContact CZ-CG 4.34Å
402S81.6Confident80.2Confident78 Ų7862.8 Ų62.855%0.54532%0.318SS..Hα-helixtrans-70.8-31178.7-580000113V398 V399 H400 M442V398-S402 WeakPolarHBondContact O-CB 3.26Å; V398-S402 PolarHBondContact O-N 3.38Å; V398-S402 PolarHBondContact O-OG 3.03Å; V399-S402 WeakPolarHBondContact O-CB 3.37Å; V399-S402 PolarHBondContact O-N 3.31Å; H400-S402 PolarHBondContact O-N 2.98Å; S402-M442 WeakPolarHBondContact OG-CE 3.48Å
403Y76.1Confident80.3Confident203 Ų20356.4 Ų56.480%0.79629%0.293SS*.Hα-helixtrans-101.7-37.1-178.6-75.5-85.2000114V399 H400V399-Y403 HydrophobicContact CG1-CD2 3.98Å; V399-Y403 HydrophobicContact CG1-CE2 4.13Å; V399-Y403 WeakPolarHBondContact O-CD2 3.21Å; V399-Y403 PolarHBondContact O-N 3.03Å; H400-Y403 PolarHBondContact O-N 3.31Å
404N71Confident80Confident72 Ų7260.7 Ų60.739%0.38532%0.316SS..  trans-143.384.6-175.3-170.13.7000112.6H400 T406H400-N404 PolarHBondContact CE1-O 3.43Å; H400-N404 CarbonylContact O-C 3.58Å; H400-N404 PolarHBondContact O-N 2.95Å; N404-T406 PolarHBondContact O-N 3.48Å; N404-T406 VanDerWaalsContact O-N 3.14Å; N404-T406 PolarHBondContact OD1-N 2.67Å; N404-T406 PolarHBondContact OD1-OG1 3.08Å
405P68.3Low79.5Confident85 Ų8566.6 Ų66.655%0.55234%0.344SS*.THydrogen-bonded Turntrans-73.6-2.8-176.430.9-36.3000114.1F401F401-P405 HydrophobicContact CD2-CB 4.14Å; F401-P405 HydrophobicContact CE2-CB 4.08Å
406T65Low78.9Confident115 Ų11566.3 Ų66.371%0.70634%0.34SS*.THydrogen-bonded Turntrans-84.2-23.1-174.7650000113.8N404N404-T406 PolarHBondContact O-N 3.48Å; N404-T406 VanDerWaalsContact O-N 3.14Å; N404-T406 PolarHBondContact OD1-N 2.67Å; N404-T406 PolarHBondContact OD1-OG1 3.08Å
407R64.5Low78.7Confident106 Ų10665.3 Ų65.340%0.434%0.335SS..SBendtrans-85.7131.6178.5167.9-169.3-118.8-164.40.6109.7H400H400-R407 WeakPolarHBondContact NE2-CD 3.44Å
408L68.7Low78.6Confident103 Ų10372.7 Ų72.754%0.53937%0.367SS..  trans-89.1134.4-175.2-63.5165.5000110.3
409F83.1Confident78.5Confident7 Ų772.3 Ų72.33%0.03136%0.364CS..THydrogen-bonded Turntrans-41.8142.2154.1-175.5-95.9000109.4L413 Y424 I449 R452 V453 L457F409-L413 HydrophobicContact CE2-CB 4.18Å; F409-L413 HydrophobicContact CZ-CB 4.19Å; F409-L413 HydrophobicContact CZ-CD2 3.98Å; F409-Y424 HydrophobicContact CE2-CD1 4.2Å; F409-Y424 AromaticContact CE2-CE1 3.72Å; F409-Y424 HydrophobicContact CE2-CE1 3.72Å; F409-Y424 AromaticContact CZ-CD1 3.93Å; F409-Y424 HydrophobicContact CZ-CD1 3.93Å; F409-Y424 AromaticContact CZ-CE1 3.87Å; F409-Y424 HydrophobicContact CZ-CE1 3.87Å; F409-I449 HydrophobicContact CB-CD1 4.39Å; F409-I449 HydrophobicContact CB-CG1 4.12Å; F409-I449 HydrophobicContact CD1-CG2 3.84Å; F409-I449 HydrophobicContact CD2-CD1 4.22Å; F409-I449 HydrophobicContact CD2-CG1 4.36Å; F409-I449 HydrophobicContact CD2-CG2 3.8Å; F409-I449 HydrophobicContact CE1-CG2 3.7Å; F409-I449 HydrophobicContact CE2-CG2 3.71Å; F409-I449 HydrophobicContact CG-CD1 4.38Å; F409-I449 HydrophobicContact CG-CG1 4.09Å; F409-I449 HydrophobicContact CG-CG2 3.89Å; F409-I449 HydrophobicContact CZ-CG2 3.66Å; F409-R452 VanDerWaalsContact O-CZ 3.29Å; F409-R452 PolarHBondContact O-NH1 3.25Å; F409-V453 HydrophobicContact CE1-CG2 4.03Å; F409-V453 HydrophobicContact CZ-CG2 4.27Å; F409-L457 HydrophobicContact CD1-CD1 3.75Å; F409-L457 HydrophobicContact CE1-CD1 3.33Å; F409-L457 HydrophobicContact CZ-CD1 4.44Å
410P88.3Confident78.7Confident23 Ų2369.9 Ų69.915%0.14936%0.356CS..THydrogen-bonded Turncis-10527.223.239.5-36.1000117.2A412 L413 D414 L457P410-A412 VanDerWaalsContact C-N 3.31Å; P410-A412 PolarHBondContact O-N 3.2Å; P410-A412 VanDerWaalsContact O-N 3.1Å; P410-L413 HydrophobicContact CB-CB 4.02Å; P410-L413 HydrophobicContact CB-CD2 4.14Å; P410-L413 WeakPolarHBondContact O-CA 3.25Å; P410-L413 WeakPolarHBondContact O-CB 3.42Å; P410-L413 PolarHBondContact O-N 3.47Å; P410-D414 WeakPolarHBondContact CG-OD2 3.12Å; P410-D414 PolarHBondContact O-N 3.23Å; P410-D414 VanDerWaalsContact O-N 3.15Å; P410-L457 HydrophobicContact CB-CD1 3.98Å; P410-L457 HydrophobicContact CG-CD1 4.26Å; P410-L457 HydrophobicContact CG-CD2 4.17Å
411W82.6Confident79.3Confident90 Ų9068.6 Ų68.634%0.34135%0.351SS..Hα-helixtrans-49.9-43.8-174.7178.182.6000115.4L413 D414 H415 V416W411-L413 VanDerWaalsContact C-N 3.29Å; W411-L413 PolarHBondContact O-N 3.33Å; W411-D414 PolarHBondContact O-N 3.38Å; W411-H415 AromaticContact CD1-CD2 3.26Å; W411-H415 AromaticContact NE1-CD2 3.52Å; W411-H415 AromaticContact NE1-CG 3.89Å; W411-H415 PolarHBondContact O-N 3.07Å; W411-V416 HydrophobicContact CE3-CG2 4.06Å; W411-V416 HydrophobicContact CH2-CG2 3.46Å; W411-V416 VanDerWaalsContact CH2-CG2 3.46Å; W411-V416 HydrophobicContact CZ2-CG2 4.02Å; W411-V416 HydrophobicContact CZ3-CG2 3.48Å; W411-V416 VanDerWaalsContact CZ3-CG2 3.48Å
412A80.6Confident79.6Confident4 Ų466.5 Ų66.53%0.03334%0.342CS..Iπ-helixtrans-64.3-36.5178.600000112I396 P410 V416 I417I396-A412 HydrophobicContact CG2-CB 3.88Å; P410-A412 VanDerWaalsContact C-N 3.31Å; P410-A412 PolarHBondContact O-N 3.2Å; P410-A412 VanDerWaalsContact O-N 3.1Å; A412-V416 WeakPolarHBondContact O-CB 3.49Å; A412-V416 PolarHBondContact O-N 2.98Å; A412-I417 WeakPolarHBondContact O-CG1 3.24Å; A412-I417 PolarHBondContact O-N 2.81Å
413L86.2Confident79.8Confident6 Ų663.6 Ų63.63%0.03132%0.32CS..Iπ-helixtrans-62.6-49.1178.2-169.469.5000111.3F409 P410 W411 I417 K418 L419 A421 Y424F409-L413 HydrophobicContact CE2-CB 4.18Å; F409-L413 HydrophobicContact CZ-CB 4.19Å; F409-L413 HydrophobicContact CZ-CD2 3.98Å; P410-L413 HydrophobicContact CB-CB 4.02Å; P410-L413 HydrophobicContact CB-CD2 4.14Å; P410-L413 WeakPolarHBondContact O-CA 3.25Å; P410-L413 WeakPolarHBondContact O-CB 3.42Å; P410-L413 PolarHBondContact O-N 3.47Å; W411-L413 VanDerWaalsContact C-N 3.29Å; W411-L413 PolarHBondContact O-N 3.33Å; L413-I417 HydrophobicContact CD1-CD1 3.86Å; L413-I417 HydrophobicContact CD1-CG1 4.29Å; L413-K418 WeakPolarHBondContact O-CA 3.23Å; L413-K418 PolarHBondContact O-N 3.44Å; L413-L419 HydrophobicContact CD1-CB 4.16Å; L413-L419 WeakPolarHBondContact CD1-O 3.36Å; L413-L419 WeakPolarHBondContact CG-O 3.45Å; L413-L419 PolarHBondContact O-N 3.36Å; L413-A421 HydrophobicContact CD2-CB 3.69Å; L413-Y424 HydrophobicContact CD1-CD1 4.49Å; L413-Y424 HydrophobicContact CD1-CD2 4.04Å; L413-Y424 HydrophobicContact CD1-CG 3.82Å
414D82.4Confident80.5Confident90 Ų9054 Ų5448%0.48128%0.283SS..Iπ-helixtrans-81.5-41-170.8-60.9-24.2000112.9P410 W411P410-D414 WeakPolarHBondContact CG-OD2 3.12Å; P410-D414 PolarHBondContact O-N 3.23Å; P410-D414 VanDerWaalsContact O-N 3.15Å; W411-D414 PolarHBondContact O-N 3.38Å
415H78.3Confident81.2Confident125 Ų12550.7 Ų50.758%0.57927%0.265SS*.Iπ-helixtrans-105.7-21.1-169-61.3-69.7000114.5W411W411-H415 AromaticContact CD1-CD2 3.26Å; W411-H415 AromaticContact NE1-CD2 3.52Å; W411-H415 AromaticContact NE1-CG 3.89Å; W411-H415 PolarHBondContact O-N 3.07Å
416V73.5Confident82Confident58 Ų5847 Ų4735%0.35224%0.24SC..Iπ-helixtrans-108.8-58.1-174.2-170.70000111.5Y392 I396 W411 A412Y392-V416 HydrophobicContact CE1-CG1 4.26Å; I396-V416 HydrophobicContact CD1-CB 4.21Å; I396-V416 HydrophobicContact CD1-CG1 3.42Å; I396-V416 VanDerWaalsContact CD1-CG1 3.42Å; W411-V416 HydrophobicContact CE3-CG2 4.06Å; W411-V416 HydrophobicContact CH2-CG2 3.46Å; W411-V416 VanDerWaalsContact CH2-CG2 3.46Å; W411-V416 HydrophobicContact CZ2-CG2 4.02Å; W411-V416 HydrophobicContact CZ3-CG2 3.48Å; W411-V416 VanDerWaalsContact CZ3-CG2 3.48Å; A412-V416 WeakPolarHBondContact O-CB 3.49Å; A412-V416 PolarHBondContact O-N 2.98Å
417I81.9Confident83Confident9 Ų941.5 Ų41.55%0.04621%0.206CC..Iπ-helixtrans-92.9-17.9-174.570.1-169000113.6R389 Y392 I396 A412 L413 L419 Y424R389-I417 HydrophobicContact CB-CB 4.49Å; Y392-I417 HydrophobicContact CD1-CG2 4.05Å; I396-I417 HydrophobicContact CD1-CG2 4.2Å; A412-I417 WeakPolarHBondContact O-CG1 3.24Å; A412-I417 PolarHBondContact O-N 2.81Å; L413-I417 HydrophobicContact CD1-CD1 3.86Å; L413-I417 HydrophobicContact CD1-CG1 4.29Å; I417-L419 VanDerWaalsContact C-N 3.26Å; I417-L419 HydrophobicContact CD1-CB 4.15Å; I417-L419 HydrophobicContact CG1-CB 3.85Å; I417-L419 PolarHBondContact O-N 2.95Å; I417-Y424 HydrophobicContact CD1-CD2 3.84Å; I417-Y424 HydrophobicContact CD1-CE2 3.95Å
418K83.5Confident84.1Confident161 Ų16136.4 Ų36.470%0.719%0.187SC*.  trans47.349.4-178.7-61.3-178.2178.6178.50112.1L413L413-K418 WeakPolarHBondContact O-CA 3.23Å; L413-K418 PolarHBondContact O-N 3.44Å
419L86.3Confident84.8Confident20 Ų2033.7 Ų33.711%0.10517%0.172CC..  trans-114.5141-179.2-173.165.5000109.4E386 R389 L413 I417 N423 Y424E386-L419 HydrophobicContact CG-CD1 4.22Å; R389-L419 HydrophobicContact CB-CD2 4.43Å; L413-L419 HydrophobicContact CD1-CB 4.16Å; L413-L419 WeakPolarHBondContact CD1-O 3.36Å; L413-L419 WeakPolarHBondContact CG-O 3.45Å; L413-L419 PolarHBondContact O-N 3.36Å; I417-L419 VanDerWaalsContact C-N 3.26Å; I417-L419 HydrophobicContact CD1-CB 4.15Å; I417-L419 HydrophobicContact CG1-CB 3.85Å; I417-L419 PolarHBondContact O-N 2.95Å; L419-N423 HydrophobicContact CD1-CB 3.85Å; L419-N423 HydrophobicContact CD2-CB 4.29Å; L419-N423 HydrophobicContact CG-CB 3.99Å; L419-Y424 HydrophobicContact CD2-CD2 4.46Å
420G87.1Confident84.8Confident33 Ų3333.4 Ų33.434%0.3417%0.171SC..  trans-66.4141.8174.500000112F422 N423 Y424G420-F422 PolarHBondContact O-N 3.32Å; G420-N423 PolarHBondContact O-N 3.19Å; G420-Y424 PolarHBondContact O-N 3.49Å; G420-Y424 VanDerWaalsContact O-N 3.09Å
421A92.2Very high84.6Confident8 Ų833 Ų337%0.06617%0.167CC..Hα-helixtrans-54.1-39.5-179.800000112.6L413 N423 Y424 F425 V453 L457L413-A421 HydrophobicContact CD2-CB 3.69Å; A421-N423 PolarHBondContact O-N 2.84Å; A421-Y424 WeakPolarHBondContact O-CB 3.03Å; A421-Y424 PolarHBondContact O-N 3.28Å; A421-Y424 VanDerWaalsContact O-N 3.1Å; A421-F425 PolarHBondContact O-N 2.82Å; A421-V453 HydrophobicContact CB-CG1 3.92Å; A421-V453 HydrophobicContact CB-CG2 4.2Å; A421-V453 VanDerWaalsContact O-CG1 3.32Å; A421-V453 WeakPolarHBondContact O-CG1 3.37Å; A421-L457 HydrophobicContact CB-CB 3.65Å
422F90.2Very high84.6Confident1 Ų130.6 Ų30.60%0.00416%0.16CC..Hα-helixtrans-60.3-30175.7-179-98000113.7G420 F425 K426 A458 V464 F465 Y468 I617 M618 F621G420-F422 PolarHBondContact O-N 3.32Å; F422-F425 HydrophobicContact CD2-CE1 4.27Å; F422-F425 HydrophobicContact CE2-CE1 4.33Å; F422-F425 WeakPolarHBondContact O-CD1 3.38Å; F422-F425 WeakPolarHBondContact O-CE1 3.43Å; F422-K426 VanDerWaalsContact O-CE 3.28Å; F422-K426 WeakPolarHBondContact O-CE 3.12Å; F422-A458 HydrophobicContact CB-CB 4.27Å; F422-A458 HydrophobicContact CD2-CB 4.48Å; F422-V464 HydrophobicContact CD1-CB 4.25Å; F422-V464 HydrophobicContact CD1-CG1 4.34Å; F422-F465 HydrophobicContact CB-CB 4.42Å; F422-F465 HydrophobicContact CD2-CB 3.81Å; F422-F465 AromaticContact CD2-CD2 3.95Å; F422-F465 HydrophobicContact CD2-CD2 3.95Å; F422-F465 HydrophobicContact CD2-CG 4.37Å; F422-F465 HydrophobicContact CE2-CB 4.25Å; F422-F465 AromaticContact CE2-CD2 3.7Å; F422-F465 HydrophobicContact CE2-CD2 3.7Å; F422-F465 HydrophobicContact CE2-CG 4.47Å; F422-F465 HydrophobicContact CG-CB 4.07Å; F422-F465 HydrophobicContact CZ-CD2 4.5Å; F422-Y468 AromaticContact CE1-CD2 3.59Å; F422-Y468 HydrophobicContact CE1-CD2 3.59Å; F422-Y468 AromaticContact CE1-CE2 3.74Å; F422-Y468 HydrophobicContact CE1-CE2 3.74Å; F422-Y468 HydrophobicContact CZ-CD2 4.04Å; F422-I617 HydrophobicContact CE1-CG2 3.76Å; F422-I617 HydrophobicContact CZ-CG2 3.63Å; F422-M618 HydrophobicContact CE1-SD 4.46Å; F422-M618 HydrophobicContact CE2-SD 3.94Å; F422-M618 HydrophobicContact CZ-CG 4.43Å; F422-M618 HydrophobicContact CZ-SD 3.51Å; F422-M618 VanDerWaalsContact CZ-SD 3.51Å; F422-F621 HydrophobicContact CD2-CD1 4.37Å; F422-F621 AromaticContact CD2-CD2 3.79Å; F422-F621 HydrophobicContact CD2-CD2 3.79Å; F422-F621 HydrophobicContact CD2-CE2 4.02Å; F422-F621 AromaticContact CD2-CG 3.99Å; F422-F621 HydrophobicContact CD2-CG 3.99Å; F422-F621 HydrophobicContact CD2-CZ 4.42Å; F422-F621 HydrophobicContact CE2-CB 3.74Å; F422-F621 AromaticContact CE2-CD1 3.95Å; F422-F621 HydrophobicContact CE2-CD1 3.95Å; F422-F621 AromaticContact CE2-CD2 3.83Å; F422-F621 HydrophobicContact CE2-CD2 3.83Å; F422-F621 HydrophobicContact CE2-CE2 4.43Å; F422-F621 AromaticContact CE2-CG 3.56Å; F422-F621 HydrophobicContact CE2-CG 3.56Å; F422-F621 HydrophobicContact CZ-CB 4.49Å
423N86.2Confident84.4Confident17 Ų1733.2 Ų33.29%0.09117%0.171CC..Hα-helixtrans-83-32.3174.3-72.1-18.1000111.9E386 L419 G420 A421 K426E386-N423 HydrophobicContact CG-CB 4.14Å; E386-N423 WeakPolarHBondContact OE1-CB 3.07Å; L419-N423 HydrophobicContact CD1-CB 3.85Å; L419-N423 HydrophobicContact CD2-CB 4.29Å; L419-N423 HydrophobicContact CG-CB 3.99Å; G420-N423 PolarHBondContact O-N 3.19Å; A421-N423 PolarHBondContact O-N 2.84Å; N423-K426 PolarHBondContact OD1-NZ 3.41Å
424Y89.7Confident83.9Confident1 Ų133.5 Ų33.50%0.00417%0.172CC..Hα-helixtrans-67.3-42.8-177.6-176.6-103.3000114.5S390 N394 F409 L413 I417 L419 G420 A421 K426 M427 I428 I449S390-Y424 PolarHBondContact OG-O 3.38Å; N394-Y424 WeakPolarHBondContact CA-OH 3.11Å; N394-Y424 WeakPolarHBondContact ND2-CE2 3.38Å; N394-Y424 PolarHBondContact OD1-OH 3.4Å; F409-Y424 HydrophobicContact CE2-CD1 4.2Å; F409-Y424 AromaticContact CE2-CE1 3.72Å; F409-Y424 HydrophobicContact CE2-CE1 3.72Å; F409-Y424 AromaticContact CZ-CD1 3.93Å; F409-Y424 HydrophobicContact CZ-CD1 3.93Å; F409-Y424 AromaticContact CZ-CE1 3.87Å; F409-Y424 HydrophobicContact CZ-CE1 3.87Å; L413-Y424 HydrophobicContact CD1-CD1 4.49Å; L413-Y424 HydrophobicContact CD1-CD2 4.04Å; L413-Y424 HydrophobicContact CD1-CG 3.82Å; I417-Y424 HydrophobicContact CD1-CD2 3.84Å; I417-Y424 HydrophobicContact CD1-CE2 3.95Å; L419-Y424 HydrophobicContact CD2-CD2 4.46Å; G420-Y424 PolarHBondContact O-N 3.49Å; G420-Y424 VanDerWaalsContact O-N 3.09Å; A421-Y424 WeakPolarHBondContact O-CB 3.03Å; A421-Y424 PolarHBondContact O-N 3.28Å; A421-Y424 VanDerWaalsContact O-N 3.1Å; Y424-K426 PolarHBondContact O-N 3.47Å; Y424-M427 PolarHBondContact O-N 3.05Å; Y424-I428 HydrophobicContact CD1-CD1 4.2Å; Y424-I428 HydrophobicContact CE1-CD1 3.94Å; Y424-I428 HydrophobicContact CE1-CG1 4.23Å; Y424-I449 HydrophobicContact CE1-CG2 3.89Å
425F87.4Confident83.5Confident2 Ų231 Ų311%0.00916%0.158CC..Hα-helixtrans-59.1-26.4-171.786.4-85.6000114.2A421 F422 M427 I428 V453 L620 F621 K624A421-F425 PolarHBondContact O-N 2.82Å; F422-F425 HydrophobicContact CD2-CE1 4.27Å; F422-F425 HydrophobicContact CE2-CE1 4.33Å; F422-F425 WeakPolarHBondContact O-CD1 3.38Å; F422-F425 WeakPolarHBondContact O-CE1 3.43Å; F425-M427 PolarHBondContact O-N 3.36Å; F425-I428 PolarHBondContact O-N 2.82Å; F425-V453 HydrophobicContact CB-CB 4.28Å; F425-V453 HydrophobicContact CB-CG1 3.88Å; F425-L620 HydrophobicContact CE2-CD2 4.38Å; F425-L620 HydrophobicContact CE2-CG 4.37Å; F425-F621 AromaticContact CD1-CD2 3.97Å; F425-F621 HydrophobicContact CD1-CD2 3.97Å; F425-F621 HydrophobicContact CE1-CB 4.12Å; F425-F621 AromaticContact CE1-CD2 3.56Å; F425-F621 HydrophobicContact CE1-CD2 3.56Å; F425-F621 HydrophobicContact CE1-CE2 4.49Å; F425-F621 HydrophobicContact CE1-CG 4.28Å; F425-F621 HydrophobicContact CE2-CD2 4.41Å; F425-F621 HydrophobicContact CZ-CB 3.75Å; F425-F621 AromaticContact CZ-CD2 3.82Å; F425-F621 HydrophobicContact CZ-CD2 3.82Å; F425-F621 HydrophobicContact CZ-CG 4.29Å; F425-K624 HydrophobicContact CD2-CD 4.04Å; F425-K624 HydrophobicContact CE2-CD 3.84Å
426K83.4Confident83.2Confident7 Ų730.6 Ų30.63%0.0317%0.166CC..Hα-helixtrans-61.7-28.9-172.5-54.9170.3-162.6163.80112.8Y372 V376 E386 F422 N423 Y424 I617Y372-K426 HydrophobicContact CE2-CB 3.78Å; Y372-K426 WeakPolarHBondContact OH-CD 3.22Å; V376-K426 HydrophobicContact CG1-CB 3.9Å; V376-K426 HydrophobicContact CG1-CD 3.93Å; V376-K426 HydrophobicContact CG1-CG 4.16Å; E386-K426 IonicContact OE1-NZ 3.89Å; E386-K426 PolarHBondContact OE1-NZ 3.4Å; E386-K426 IonicContact OE2-NZ 3.25Å; F422-K426 VanDerWaalsContact O-CE 3.28Å; F422-K426 WeakPolarHBondContact O-CE 3.12Å; N423-K426 PolarHBondContact OD1-NZ 3.41Å; Y424-K426 PolarHBondContact O-N 3.47Å; K426-I617 HydrophobicContact CD-CG2 4.17Å
427M86.4Confident83.4Confident0 Ų035.6 Ų35.60%019%0.186CC..Hα-helixtrans-87.7-22.3-177.4-80.9-63.2-73.600114.3L368 Y372 F387 S390 L391 Y424 F425 E429 I430 I431L368-M427 HydrophobicContact CD2-CE 4.28Å; Y372-M427 HydrophobicContact CD1-SD 4.33Å; Y372-M427 HydrophobicContact CD2-CG 4.07Å; Y372-M427 HydrophobicContact CD2-SD 3.24Å; Y372-M427 WeakPolarHBondContact CD2-SD 3.15Å; Y372-M427 HydrophobicContact CE2-CG 3.88Å; Y372-M427 HydrophobicContact CE2-SD 3.69Å; Y372-M427 HydrophobicContact CG-SD 3.62Å; F387-M427 HydrophobicContact CD2-CE 3.74Å; F387-M427 HydrophobicContact CD2-SD 3.76Å; F387-M427 HydrophobicContact CE2-CE 3.42Å; F387-M427 VanDerWaalsContact CE2-CE 3.42Å; F387-M427 HydrophobicContact CE2-SD 3.93Å; F387-M427 HydrophobicContact CZ-CE 4.41Å; S390-M427 VanDerWaalsContact OG-CB 3.32Å; S390-M427 WeakPolarHBondContact OG-CB 3.37Å; S390-M427 VanDerWaalsContact OG-CG 3.25Å; S390-M427 WeakPolarHBondContact OG-CG 3.47Å; L391-M427 HydrophobicContact CB-CE 4.2Å; L391-M427 HydrophobicContact CD1-CE 4.39Å; Y424-M427 PolarHBondContact O-N 3.05Å; F425-M427 PolarHBondContact O-N 3.36Å; M427-E429 PolarHBondContact O-N 2.95Å; M427-I430 PolarHBondContact O-N 3.01Å; M427-I430 VanDerWaalsContact O-N 3.1Å; M427-I430 HydrophobicContact SD-CD1 4.11Å; M427-I431 HydrophobicContact CB-CD1 4.34Å; M427-I431 HydrophobicContact CE-CD1 4.31Å; M427-I431 HydrophobicContact CE-CG1 4.21Å; M427-I431 WeakPolarHBondContact O-CG1 3.4Å; M427-I431 PolarHBondContact O-N 3.05Å; M427-I431 VanDerWaalsContact O-N 3.07Å
428I88.5Confident83.4Confident0 Ų037.1 Ų37.10%019%0.192CC..Hα-helixtrans-58.1-48.1-171.1-62175.8000111Y424 F425 I430 I431 I432 L446 I449 E450Y424-I428 HydrophobicContact CD1-CD1 4.2Å; Y424-I428 HydrophobicContact CE1-CD1 3.94Å; Y424-I428 HydrophobicContact CE1-CG1 4.23Å; F425-I428 PolarHBondContact O-N 2.82Å; I428-I430 VanDerWaalsContact C-N 3.31Å; I428-I430 PolarHBondContact O-N 3.43Å; I428-I431 PolarHBondContact O-N 2.82Å; I428-I432 HydrophobicContact CG2-CD1 3.94Å; I428-I432 WeakPolarHBondContact O-CG1 3.38Å; I428-I432 PolarHBondContact O-N 3.42Å; I428-I432 VanDerWaalsContact O-N 3.15Å; I428-L446 HydrophobicContact CG2-CB 3.95Å; I428-I449 HydrophobicContact CD1-CG2 4.05Å; I428-E450 HydrophobicContact CD1-CB 3.85Å; I428-E450 HydrophobicContact CD1-CG 4.43Å; I428-E450 HydrophobicContact CG2-CB 4.3Å
429E83Confident83.3Confident45 Ų4532.2 Ų32.221%0.2118%0.178CC..Hα-helixtrans-63.7-36.9-180-174.7-179.7153.100112.2M427 I432 K433 K624M427-E429 PolarHBondContact O-N 2.95Å; E429-I432 PolarHBondContact O-N 2.88Å; E429-K433 HydrophobicContact CG-CD 4.33Å; E429-K433 VanDerWaalsContact O-CG 3.29Å; E429-K433 WeakPolarHBondContact O-CG 3.42Å; E429-K433 PolarHBondContact O-N 3.44Å; E429-K433 WeakPolarHBondContact OE1-CE 3.25Å; E429-K433 IonicContact OE1-NZ 3.6Å; E429-K433 PolarHBondContact OE1-NZ 3.32Å; E429-K624 IonicContact OE2-NZ 2.67Å; E429-K624 PolarHBondContact OE2-NZ 3.24Å
430I83.4Confident83.1Confident2 Ų237.6 Ų37.61%0.0120%0.197CC..Hα-helixtrans-67.8-43.9-178.3-56.2-174.8000110.5L368 L371 Y372 V376 M427 I428 K433 I434L368-I430 HydrophobicContact CD2-CG2 3.89Å; L371-I430 HydrophobicContact CB-CG2 3.66Å; L371-I430 HydrophobicContact CD1-CG2 3.99Å; L371-I430 HydrophobicContact CG-CG2 4.49Å; Y372-I430 HydrophobicContact CD2-CD1 3.62Å; Y372-I430 HydrophobicContact CG-CD1 4.3Å; V376-I430 HydrophobicContact CG2-CD1 3.8Å; M427-I430 PolarHBondContact O-N 3.01Å; M427-I430 VanDerWaalsContact O-N 3.1Å; M427-I430 HydrophobicContact SD-CD1 4.11Å; I428-I430 VanDerWaalsContact C-N 3.31Å; I428-I430 PolarHBondContact O-N 3.43Å; I430-K433 WeakPolarHBondContact O-CB 3.25Å; I430-K433 PolarHBondContact O-N 2.92Å; I430-K433 VanDerWaalsContact O-N 3.15Å; I430-I434 HydrophobicContact CG2-CD1 4.22Å; I430-I434 PolarHBondContact O-N 2.94Å
431I82.9Confident82.9Confident15 Ų1540.9 Ų40.98%0.07720%0.204CC..Hα-helixtrans-65.2-43.3179.6-62.3172.1000109.9L368 L391 N394 M427 I428 K433 I434 E435 F438L368-I431 HydrophobicContact CD2-CG1 3.92Å; L391-I431 HydrophobicContact CD1-CD1 4.04Å; L391-I431 HydrophobicContact CD1-CG1 4.44Å; N394-I431 HydrophobicContact CB-CD1 3.19Å; M427-I431 HydrophobicContact CB-CD1 4.34Å; M427-I431 HydrophobicContact CE-CD1 4.31Å; M427-I431 HydrophobicContact CE-CG1 4.21Å; M427-I431 WeakPolarHBondContact O-CG1 3.4Å; M427-I431 PolarHBondContact O-N 3.05Å; M427-I431 VanDerWaalsContact O-N 3.07Å; I428-I431 PolarHBondContact O-N 2.82Å; I431-K433 PolarHBondContact O-N 2.99Å; I431-I434 PolarHBondContact O-N 3.2Å; I431-E435 PolarHBondContact O-N 3.42Å; I431-E435 VanDerWaalsContact O-N 3.1Å; I431-F438 HydrophobicContact CG2-CE2 3.7Å; I431-F438 HydrophobicContact CG2-CZ 3.91Å
432I82.6Confident82.6Confident38 Ų3841 Ų4120%0.19520%0.203CC..Hα-helixtrans-59.7-34.8174.6-66.2168.4000111.9I428 E429 I443 L446I428-I432 HydrophobicContact CG2-CD1 3.94Å; I428-I432 WeakPolarHBondContact O-CG1 3.38Å; I428-I432 PolarHBondContact O-N 3.42Å; I428-I432 VanDerWaalsContact O-N 3.15Å; E429-I432 PolarHBondContact O-N 2.88Å; I432-I443 HydrophobicContact CG2-CG2 4.3Å; I432-L446 HydrophobicContact CD1-CB 3.85Å; I432-L446 HydrophobicContact CD1-CD1 4.31Å; I432-L446 HydrophobicContact CG1-CB 4.22Å; I432-L446 HydrophobicContact CG1-CD1 3.74Å
433K78.3Confident82.5Confident60 Ų6042.5 Ų42.526%0.26121%0.211SC..Hα-helixtrans-74.3-38.7179-76.9170.2-179.6171.40113.2E375 E429 I430 I431 P494E375-K433 IonicContact OE1-NZ 3.02Å; E375-K433 PolarHBondContact OE1-NZ 3.44Å; E375-K433 IonicContact OE2-NZ 2.7Å; E375-K433 PolarHBondContact OE2-NZ 3.15Å; E429-K433 HydrophobicContact CG-CD 4.33Å; E429-K433 VanDerWaalsContact O-CG 3.29Å; E429-K433 WeakPolarHBondContact O-CG 3.42Å; E429-K433 PolarHBondContact O-N 3.44Å; E429-K433 WeakPolarHBondContact OE1-CE 3.25Å; E429-K433 IonicContact OE1-NZ 3.6Å; E429-K433 PolarHBondContact OE1-NZ 3.32Å; I430-K433 WeakPolarHBondContact O-CB 3.25Å; I430-K433 PolarHBondContact O-N 2.92Å; I430-K433 VanDerWaalsContact O-N 3.15Å; I431-K433 PolarHBondContact O-N 2.99Å; K433-P494 HydrophobicContact CD-CG 4.44Å; K433-P494 VanDerWaalsContact CE-CD 3.4Å; K433-P494 HydrophobicContact CG-CG 4.23Å
434I73.9Confident82.5Confident12 Ų1246.2 Ų46.26%0.06223%0.226CC..Hα-helixtrans-76.9-35.6-175.6-84.5176.1000111.9R367 L368 L371 I430 I431 P436R367-I434 HydrophobicContact CG-CD1 4.03Å; L368-I434 HydrophobicContact CB-CD1 4.24Å; L368-I434 HydrophobicContact CD2-CB 4.3Å; L368-I434 HydrophobicContact CD2-CD1 3.49Å; L368-I434 VanDerWaalsContact CD2-CD1 3.49Å; L368-I434 HydrophobicContact CD2-CG1 4.4Å; L368-I434 HydrophobicContact CD2-CG2 4.46Å; L368-I434 HydrophobicContact CG-CD1 3.63Å; L368-I434 HydrophobicContact CG-CG2 4.48Å; L371-I434 HydrophobicContact CB-CD1 4.49Å; L371-I434 HydrophobicContact CD1-CD1 3.37Å; L371-I434 HydrophobicContact CD1-CG1 3.51Å; L371-I434 HydrophobicContact CG-CD1 4.06Å; I430-I434 HydrophobicContact CG2-CD1 4.22Å; I430-I434 PolarHBondContact O-N 2.94Å; I431-I434 PolarHBondContact O-N 3.2Å; I434-P436 WeakPolarHBondContact O-CD 2.9Å
435E75.4Confident82.4Confident38 Ų3847.4 Ų47.418%0.17823%0.232CC..  trans-100.991.7-173.4-172.343.5-106.300111.8I431 E437 F438I431-E435 PolarHBondContact O-N 3.42Å; I431-E435 VanDerWaalsContact O-N 3.1Å; E435-E437 PolarHBondContact O-N 2.92Å; E435-E437 WeakPolarHBondContact OE1-CB 3.33Å; E435-E437 WeakPolarHBondContact OE1-CG 3.09Å; E435-E437 PolarHBondContact OE1-N 2.81Å; E435-F438 HydrophobicContact CB-CD1 4.5Å; E435-F438 HydrophobicContact CB-CD2 3.97Å; E435-F438 HydrophobicContact CB-CE1 4.36Å; E435-F438 HydrophobicContact CB-CE2 3.84Å; E435-F438 HydrophobicContact CB-CG 4.31Å; E435-F438 HydrophobicContact CB-CZ 4.03Å; E435-F438 HydrophobicContact CG-CD1 3.75Å; E435-F438 HydrophobicContact CG-CD2 4.1Å; E435-F438 HydrophobicContact CG-CE1 3.71Å; E435-F438 HydrophobicContact CG-CE2 4.09Å; E435-F438 HydrophobicContact CG-CG 3.94Å; E435-F438 HydrophobicContact CG-CZ 3.89Å
436P71Confident82.5Confident116 Ų11647.3 Ų47.375%0.75323%0.231SC*.THydrogen-bonded Turntrans-71.5-14.9-177.832.7-38.1000113.2I434 F438I434-P436 WeakPolarHBondContact O-CD 2.9Å; P436-F438 VanDerWaalsContact C-N 3.34Å
437E78.4Confident82.9Confident163 Ų16348.3 Ų48.376%0.76224%0.237SC*.THydrogen-bonded Turntrans-86.1-4.6-175.3-53.8-164.1156.900113.6E435 S439E435-E437 PolarHBondContact O-N 2.92Å; E435-E437 WeakPolarHBondContact OE1-CB 3.33Å; E435-E437 WeakPolarHBondContact OE1-CG 3.09Å; E435-E437 PolarHBondContact OE1-N 2.81Å; E437-S439 PolarHBondContact O-N 3.23Å
438F81.7Confident83Confident40 Ų4054 Ų5418%0.17526%0.259CS..  trans-58132.4175.7-77.3-26.8000112.6V398 I431 E435 P436 M442 I443 L446V398-F438 HydrophobicContact CG1-CE1 4.05Å; V398-F438 HydrophobicContact CG2-CE1 4.19Å; V398-F438 HydrophobicContact CG2-CZ 3.91Å; I431-F438 HydrophobicContact CG2-CE2 3.7Å; I431-F438 HydrophobicContact CG2-CZ 3.91Å; E435-F438 HydrophobicContact CB-CD1 4.5Å; E435-F438 HydrophobicContact CB-CD2 3.97Å; E435-F438 HydrophobicContact CB-CE1 4.36Å; E435-F438 HydrophobicContact CB-CE2 3.84Å; E435-F438 HydrophobicContact CB-CG 4.31Å; E435-F438 HydrophobicContact CB-CZ 4.03Å; E435-F438 HydrophobicContact CG-CD1 3.75Å; E435-F438 HydrophobicContact CG-CD2 4.1Å; E435-F438 HydrophobicContact CG-CE1 3.71Å; E435-F438 HydrophobicContact CG-CE2 4.09Å; E435-F438 HydrophobicContact CG-CG 3.94Å; E435-F438 HydrophobicContact CG-CZ 3.89Å; P436-F438 VanDerWaalsContact C-N 3.34Å; F438-M442 HydrophobicContact CB-CB 4.35Å; F438-M442 HydrophobicContact CB-CG 4.31Å; F438-M442 HydrophobicContact CD1-CG 3.91Å; F438-M442 HydrophobicContact CD2-CG 4.47Å; F438-M442 HydrophobicContact CE1-CG 4.32Å; F438-M442 HydrophobicContact CG-CG 4Å; F438-I443 HydrophobicContact CB-CD1 4.27Å; F438-I443 HydrophobicContact CB-CG1 3.83Å; F438-L446 HydrophobicContact CD2-CD1 4.19Å; F438-L446 HydrophobicContact CE2-CD1 3.84Å
439S81.5Confident83.2Confident59 Ų5954.2 Ų54.241%0.41326%0.26SS..  trans-61.7156.6174.471.60000111E437 E441 M442 I443E437-S439 PolarHBondContact O-N 3.23Å; S439-E441 PolarHBondContact O-N 3.03Å; S439-M442 PolarHBondContact O-N 3.27Å; S439-M442 VanDerWaalsContact O-N 3.12Å; S439-M442 WeakPolarHBondContact OG-CB 3.39Å; S439-M442 PolarHBondContact OG-N 2.93Å; S439-M442 VanDerWaalsContact OG-N 3.07Å; S439-I443 WeakPolarHBondContact O-CG1 3.17Å; S439-I443 PolarHBondContact O-N 3.4Å
440R81Confident83.7Confident132 Ų13252.3 Ų52.350%0.49825%0.25SS..Hα-helixtrans-59.7-33.6176.8-179.1172.7171.4-113.4-2.6111.5K444 Y499R440-K444 VanDerWaalsContact O-CB 3.25Å; R440-K444 WeakPolarHBondContact O-CB 3.29Å; R440-K444 PolarHBondContact O-N 3.32Å; R440-K444 VanDerWaalsContact O-N 3.12Å; R440-Y499 PolarHBondContact NH2-O 3.41Å
441E84.1Confident84.2Confident103 Ų10354.1 Ų54.148%0.48126%0.259SS..Hα-helixtrans-68.9-41.5177.3-6863.3-140.500111.3F401 S439 K444 Q445F401-E441 HydrophobicContact CE1-CB 4.42Å; S439-E441 PolarHBondContact O-N 3.03Å; E441-K444 WeakPolarHBondContact O-CB 3.37Å; E441-K444 PolarHBondContact O-N 2.68Å; E441-Q445 PolarHBondContact O-N 3.32Å
442M86.6Confident84.7Confident9 Ų956.2 Ų56.24%0.04427%0.266CS..Hα-helixtrans-64.8-49.2175.7-176.658.47000111.7V398 F401 S402 F438 S439 K444 Q445 L446V398-M442 HydrophobicContact CB-CE 4.3Å; V398-M442 HydrophobicContact CB-SD 4.28Å; V398-M442 HydrophobicContact CG1-CE 3.89Å; V398-M442 HydrophobicContact CG1-SD 4.31Å; V398-M442 HydrophobicContact CG2-SD 3.92Å; V398-M442 WeakPolarHBondContact O-CE 3.5Å; F401-M442 HydrophobicContact CB-CE 4.28Å; F401-M442 HydrophobicContact CD1-CE 3.61Å; F401-M442 HydrophobicContact CD1-SD 3.94Å; F401-M442 HydrophobicContact CE1-CE 4.49Å; F401-M442 HydrophobicContact CG-CE 4.41Å; S402-M442 WeakPolarHBondContact OG-CE 3.48Å; F438-M442 HydrophobicContact CB-CB 4.35Å; F438-M442 HydrophobicContact CB-CG 4.31Å; F438-M442 HydrophobicContact CD1-CG 3.91Å; F438-M442 HydrophobicContact CD2-CG 4.47Å; F438-M442 HydrophobicContact CE1-CG 4.32Å; F438-M442 HydrophobicContact CG-CG 4Å; S439-M442 PolarHBondContact O-N 3.27Å; S439-M442 VanDerWaalsContact O-N 3.12Å; S439-M442 WeakPolarHBondContact OG-CB 3.39Å; S439-M442 PolarHBondContact OG-N 2.93Å; S439-M442 VanDerWaalsContact OG-N 3.07Å; M442-K444 PolarHBondContact O-N 3.43Å; M442-Q445 WeakPolarHBondContact O-CB 3.35Å; M442-Q445 PolarHBondContact O-N 2.93Å; M442-L446 HydrophobicContact CG-CD1 4.41Å; M442-L446 PolarHBondContact O-N 3.37Å
443I87.2Confident85.3Confident34 Ų3454.4 Ų54.417%0.17426%0.257CS..Hα-helixtrans-56.5-41.3176.9-66.2170.7000110.2I432 F438 S439 L446 N447I432-I443 HydrophobicContact CG2-CG2 4.3Å; F438-I443 HydrophobicContact CB-CD1 4.27Å; F438-I443 HydrophobicContact CB-CG1 3.83Å; S439-I443 WeakPolarHBondContact O-CG1 3.17Å; S439-I443 PolarHBondContact O-N 3.4Å; I443-L446 PolarHBondContact O-N 2.75Å; I443-N447 WeakPolarHBondContact CG2-ND2 3.43Å; I443-N447 PolarHBondContact O-N 2.85Å; I443-N447 PolarHBondContact O-ND2 3.3Å
444K85.8Confident86.1Confident94 Ų9451.7 Ų51.741%0.40925%0.245SC..Hα-helixtrans-65.2-38.7177.8177.3-170.1170.8-175.70112.5R440 E441 M442 R448 Y500R440-K444 VanDerWaalsContact O-CB 3.25Å; R440-K444 WeakPolarHBondContact O-CB 3.29Å; R440-K444 PolarHBondContact O-N 3.32Å; R440-K444 VanDerWaalsContact O-N 3.12Å; E441-K444 WeakPolarHBondContact O-CB 3.37Å; E441-K444 PolarHBondContact O-N 2.68Å; M442-K444 PolarHBondContact O-N 3.43Å; K444-R448 WeakPolarHBondContact O-CB 3.4Å; K444-R448 PolarHBondContact O-N 3.1Å; K444-Y500 HydrophobicContact CD-CE2 4.25Å; K444-Y500 VanDerWaalsContact CE-CE2 3.47Å; K444-Y500 WeakPolarHBondContact CE-OH 3.37Å; K444-Y500 HydrophobicContact CG-CE2 4.41Å; K444-Y500 PolarHBondContact NZ-OH 2.68Å
445Q87.8Confident87.1Confident27 Ų2751.8 Ų51.813%0.12625%0.245CC..Hα-helixtrans-63.8-49.3174.3174.5643.800111.2E397 F401 E441 M442 N447 R448 I449E397-Q445 PolarHBondContact OE1-NE2 3.44Å; F401-Q445 HydrophobicContact CB-CG 4.24Å; F401-Q445 HydrophobicContact CD1-CB 4.15Å; F401-Q445 HydrophobicContact CD1-CG 4.27Å; F401-Q445 HydrophobicContact CD2-CB 3.96Å; F401-Q445 HydrophobicContact CD2-CG 3.51Å; F401-Q445 HydrophobicContact CE1-CB 4.01Å; F401-Q445 HydrophobicContact CE2-CB 3.82Å; F401-Q445 HydrophobicContact CE2-CG 3.83Å; F401-Q445 HydrophobicContact CG-CB 4.11Å; F401-Q445 HydrophobicContact CG-CG 3.74Å; F401-Q445 HydrophobicContact CZ-CB 3.84Å; F401-Q445 HydrophobicContact CZ-CG 4.34Å; E441-Q445 PolarHBondContact O-N 3.32Å; M442-Q445 WeakPolarHBondContact O-CB 3.35Å; M442-Q445 PolarHBondContact O-N 2.93Å; Q445-N447 VanDerWaalsContact C-N 3.33Å; Q445-N447 PolarHBondContact O-N 2.78Å; Q445-R448 WeakPolarHBondContact O-CA 3.35Å; Q445-R448 WeakPolarHBondContact O-CB 3.31Å; Q445-R448 PolarHBondContact O-N 3.15Å; Q445-I449 HydrophobicContact CG-CD1 4.16Å; Q445-I449 WeakPolarHBondContact O-CG1 3.1Å; Q445-I449 PolarHBondContact O-N 2.9Å
446L90.2Very high88.1Confident0 Ų053.4 Ų53.40%025%0.253CS..Hα-helixtrans-59.4-42.8179.2-69.4176.4000112.1V398 I428 I432 F438 M442 I443 R448 I449 E450V398-L446 HydrophobicContact CG2-CD2 4.49Å; I428-L446 HydrophobicContact CG2-CB 3.95Å; I432-L446 HydrophobicContact CD1-CB 3.85Å; I432-L446 HydrophobicContact CD1-CD1 4.31Å; I432-L446 HydrophobicContact CG1-CB 4.22Å; I432-L446 HydrophobicContact CG1-CD1 3.74Å; F438-L446 HydrophobicContact CD2-CD1 4.19Å; F438-L446 HydrophobicContact CE2-CD1 3.84Å; M442-L446 HydrophobicContact CG-CD1 4.41Å; M442-L446 PolarHBondContact O-N 3.37Å; I443-L446 PolarHBondContact O-N 2.75Å; L446-R448 VanDerWaalsContact C-N 3.35Å; L446-R448 PolarHBondContact O-N 2.84Å; L446-I449 PolarHBondContact O-N 3.28Å; L446-E450 PolarHBondContact O-N 2.88Å
447N90.3Very high89.2Confident28 Ų2849.1 Ų49.115%0.1522%0.223CC..Hα-helixtrans-63.8-37.7173.4-76.5-72.7000112.3I443 Q445 I449 E450 E451I443-N447 WeakPolarHBondContact CG2-ND2 3.43Å; I443-N447 PolarHBondContact O-N 2.85Å; I443-N447 PolarHBondContact O-ND2 3.3Å; Q445-N447 VanDerWaalsContact C-N 3.33Å; Q445-N447 PolarHBondContact O-N 2.78Å; N447-I449 VanDerWaalsContact C-N 3.29Å; N447-I449 PolarHBondContact O-N 2.87Å; N447-E450 PolarHBondContact O-N 3.19Å; N447-E451 WeakPolarHBondContact O-CG 3.41Å; N447-E451 PolarHBondContact O-N 2.97Å
448R90.2Very high90Very high120 Ų12041.4 Ų41.445%0.45319%0.187SC..Hα-helixtrans-62.3-38.8175.5-179.4-176.2179.7166.33.6111.5K444 Q445 L446 E451 R452K444-R448 WeakPolarHBondContact O-CB 3.4Å; K444-R448 PolarHBondContact O-N 3.1Å; Q445-R448 WeakPolarHBondContact O-CA 3.35Å; Q445-R448 WeakPolarHBondContact O-CB 3.31Å; Q445-R448 PolarHBondContact O-N 3.15Å; L446-R448 VanDerWaalsContact C-N 3.35Å; L446-R448 PolarHBondContact O-N 2.84Å; R448-E451 PolarHBondContact O-N 3.39Å; R448-R452 PolarHBondContact O-N 3.32Å
449I92.1Very high90.7Very high4 Ų439.5 Ų39.52%0.02118%0.179CC..Hα-helixtrans-67.1-44.5177-66.8170.2000110.5E397 F409 Y424 I428 Q445 L446 N447 E451 R452 V453E397-I449 VanDerWaalsContact CD-CD1 3.42Å; E397-I449 HydrophobicContact CG-CD1 3.3Å; E397-I449 VanDerWaalsContact OE1-CD1 3.3Å; E397-I449 WeakPolarHBondContact OE1-CD1 3.43Å; F409-I449 HydrophobicContact CB-CD1 4.39Å; F409-I449 HydrophobicContact CB-CG1 4.12Å; F409-I449 HydrophobicContact CD1-CG2 3.84Å; F409-I449 HydrophobicContact CD2-CD1 4.22Å; F409-I449 HydrophobicContact CD2-CG1 4.36Å; F409-I449 HydrophobicContact CD2-CG2 3.8Å; F409-I449 HydrophobicContact CE1-CG2 3.7Å; F409-I449 HydrophobicContact CE2-CG2 3.71Å; F409-I449 HydrophobicContact CG-CD1 4.38Å; F409-I449 HydrophobicContact CG-CG1 4.09Å; F409-I449 HydrophobicContact CG-CG2 3.89Å; F409-I449 HydrophobicContact CZ-CG2 3.66Å; Y424-I449 HydrophobicContact CE1-CG2 3.89Å; I428-I449 HydrophobicContact CD1-CG2 4.05Å; Q445-I449 HydrophobicContact CG-CD1 4.16Å; Q445-I449 WeakPolarHBondContact O-CG1 3.1Å; Q445-I449 PolarHBondContact O-N 2.9Å; L446-I449 PolarHBondContact O-N 3.28Å; N447-I449 VanDerWaalsContact C-N 3.29Å; N447-I449 PolarHBondContact O-N 2.87Å; I449-E451 VanDerWaalsContact C-N 3.32Å; I449-E451 PolarHBondContact O-N 2.92Å; I449-R452 WeakPolarHBondContact O-CB 3.28Å; I449-R452 PolarHBondContact O-N 3.02Å; I449-R452 VanDerWaalsContact O-N 3.1Å; I449-V453 WeakPolarHBondContact O-CG2 3.41Å; I449-V453 PolarHBondContact O-N 2.99Å
450E92.9Very high91.2Very high4 Ų439.9 Ų39.92%0.01918%0.179CC..Hα-helixtrans-56.3-47.8174.1-171.7179-171.900111.1I428 L446 N447 R452 V453 L454 K624I428-E450 HydrophobicContact CD1-CB 3.85Å; I428-E450 HydrophobicContact CD1-CG 4.43Å; I428-E450 HydrophobicContact CG2-CB 4.3Å; L446-E450 PolarHBondContact O-N 2.88Å; N447-E450 PolarHBondContact O-N 3.19Å; E450-R452 VanDerWaalsContact C-N 3.3Å; E450-R452 PolarHBondContact O-N 2.94Å; E450-V453 PolarHBondContact O-N 3.37Å; E450-L454 HydrophobicContact CG-CD1 4.03Å; E450-L454 VanDerWaalsContact O-CG 3.22Å; E450-L454 WeakPolarHBondContact O-CG 3.39Å; E450-L454 PolarHBondContact O-N 3.01Å; E450-K624 VanDerWaalsContact OE1-CD 3.29Å; E450-K624 WeakPolarHBondContact OE1-CD 3.14Å; E450-K624 VanDerWaalsContact OE1-CE 3.26Å; E450-K624 WeakPolarHBondContact OE1-CE 3.14Å; E450-K624 IonicContact OE1-NZ 2.76Å; E450-K624 PolarHBondContact OE1-NZ 2.97Å
451E93.5Very high91.5Very high40 Ų4038.4 Ų38.419%0.18718%0.177CC..Hα-helixtrans-57.7-41.9174.3-71.4-175.4-159.200112.1N447 R448 I449 V453 L454 E455 H498 L628 R632N447-E451 WeakPolarHBondContact O-CG 3.41Å; N447-E451 PolarHBondContact O-N 2.97Å; R448-E451 PolarHBondContact O-N 3.39Å; I449-E451 VanDerWaalsContact C-N 3.32Å; I449-E451 PolarHBondContact O-N 2.92Å; E451-V453 VanDerWaalsContact C-N 3.32Å; E451-V453 PolarHBondContact O-N 3.45Å; E451-L454 PolarHBondContact O-N 3.26Å; E451-E455 WeakPolarHBondContact O-CB 3.49Å; E451-E455 VanDerWaalsContact O-CG 3.27Å; E451-E455 WeakPolarHBondContact O-CG 3.08Å; E451-E455 PolarHBondContact O-N 3.45Å; E451-H498 IonicContact OE1-CE1 3.71Å; E451-L628 HydrophobicContact CB-CD1 4.38Å; E451-L628 HydrophobicContact CB-CD2 4.36Å; E451-L628 HydrophobicContact CG-CD1 3.76Å; E451-L628 HydrophobicContact CG-CD2 4.47Å; E451-R632 IonicContact OE2-NH2 2.94Å; E451-R632 PolarHBondContact OE2-NH2 2.7Å
452R94Very high91.5Very high59 Ų5937.1 Ų37.122%0.22319%0.192CC..Hα-helixtrans-64.1-35.8178.7-164.6166.8-177.8-175.2-7.6113.4F409 R448 I449 E450 E455 E456 L457F409-R452 VanDerWaalsContact O-CZ 3.29Å; F409-R452 PolarHBondContact O-NH1 3.25Å; R448-R452 PolarHBondContact O-N 3.32Å; I449-R452 WeakPolarHBondContact O-CB 3.28Å; I449-R452 PolarHBondContact O-N 3.02Å; I449-R452 VanDerWaalsContact O-N 3.1Å; E450-R452 VanDerWaalsContact C-N 3.3Å; E450-R452 PolarHBondContact O-N 2.94Å; R452-E455 WeakPolarHBondContact CA-OE1 3.48Å; R452-E456 PolarHBondContact O-N 2.67Å; R452-L457 HydrophobicContact CG-CD1 3.91Å; R452-L457 HydrophobicContact CG-CG 4.29Å; R452-L457 PolarHBondContact O-N 3.24Å
453V94.9Very high91.6Very high0 Ų037.5 Ų37.50%020%0.195CC..Hα-helixtrans-66.4-45.6172.9175.30000111F409 A421 F425 I449 E450 E451 A458F409-V453 HydrophobicContact CE1-CG2 4.03Å; F409-V453 HydrophobicContact CZ-CG2 4.27Å; A421-V453 HydrophobicContact CB-CG1 3.92Å; A421-V453 HydrophobicContact CB-CG2 4.2Å; A421-V453 VanDerWaalsContact O-CG1 3.32Å; A421-V453 WeakPolarHBondContact O-CG1 3.37Å; F425-V453 HydrophobicContact CB-CB 4.28Å; F425-V453 HydrophobicContact CB-CG1 3.88Å; I449-V453 WeakPolarHBondContact O-CG2 3.41Å; I449-V453 PolarHBondContact O-N 2.99Å; E450-V453 PolarHBondContact O-N 3.37Å; E451-V453 VanDerWaalsContact C-N 3.32Å; E451-V453 PolarHBondContact O-N 3.45Å; V453-A458 HydrophobicContact CG1-CB 3.96Å; V453-A458 VanDerWaalsContact O-CB 3.26Å; V453-A458 WeakPolarHBondContact O-CB 3.26Å; V453-A458 PolarHBondContact O-N 3.35Å
454L96Very high91.6Very high3 Ų337.8 Ų37.82%0.01620%0.199CC..Hα-helixtrans-69.8-30.5-177.8-64.9167.4000113.2E450 E451 W459 F621 K624 V625 L628E450-L454 HydrophobicContact CG-CD1 4.03Å; E450-L454 VanDerWaalsContact O-CG 3.22Å; E450-L454 WeakPolarHBondContact O-CG 3.39Å; E450-L454 PolarHBondContact O-N 3.01Å; E451-L454 PolarHBondContact O-N 3.26Å; L454-W459 PolarHBondContact O-NE1 2.96Å; L454-F621 HydrophobicContact CD2-CD2 3.78Å; L454-F621 HydrophobicContact CD2-CE2 3.67Å; L454-F621 HydrophobicContact CD2-CZ 4.39Å; L454-K624 HydrophobicContact CD1-CB 3.72Å; L454-K624 HydrophobicContact CD2-CB 3.63Å; L454-K624 HydrophobicContact CG-CB 4.35Å; L454-V625 HydrophobicContact CD2-CG2 4.12Å; L454-L628 HydrophobicContact CB-CD2 3.82Å; L454-L628 HydrophobicContact CD1-CD2 4.46Å
455E95.8Very high91.8Very high14 Ų1433.3 Ų33.37%0.06518%0.179CC..Hα-helixtrans-90.8-24.6-175.776.7-167.7159.600114.2E451 R452 L628 R632 H669 V670E451-E455 WeakPolarHBondContact O-CB 3.49Å; E451-E455 VanDerWaalsContact O-CG 3.27Å; E451-E455 WeakPolarHBondContact O-CG 3.08Å; E451-E455 PolarHBondContact O-N 3.45Å; R452-E455 WeakPolarHBondContact CA-OE1 3.48Å; E455-L628 HydrophobicContact CB-CD2 4.21Å; E455-R632 IonicContact OE2-CZ 2.64Å; E455-R632 IonicContact OE2-NH1 2.7Å; E455-R632 PolarHBondContact OE2-NH1 3.25Å; E455-R632 IonicContact OE2-NH2 3.35Å; E455-R632 PolarHBondContact OE2-NH2 3.01Å; E455-H669 WeakPolarHBondContact CG-NE2 3.26Å; E455-H669 CarbonylContact O-C 3.53Å; E455-H669 WeakPolarHBondContact O-CA 3.21Å; E455-H669 IonicContact OE1-NE2 2.84Å; E455-H669 IonicContact OE2-CE1 4Å; E455-H669 PolarHBondContact OE2-CE1 3.12Å; E455-H669 IonicContact OE2-NE2 2.75Å; E455-H669 PolarHBondContact OE2-NE2 3.06Å; E455-H669 VanDerWaalsContact OE2-NE2 3.17Å; E455-V670 HydrophobicContact CB-CB 4.36Å; E455-V670 WeakPolarHBondContact O-CG2 3.27Å; E455-V670 PolarHBondContact O-N 3.02Å
456E95.3Very high92Very high72 Ų7233.3 Ų33.334%0.33618%0.178SC..THydrogen-bonded Turntrans-147-59.5-169.1-174.3-173.6174.100112.9R452 A458 W459R452-E456 PolarHBondContact O-N 2.67Å; E456-A458 PolarHBondContact O-N 2.97Å; E456-W459 WeakPolarHBondContact O-CB 3.26Å; E456-W459 PolarHBondContact O-N 3.13Å
457L94.9Very high91.7Very high27 Ų2738.9 Ų38.914%0.14121%0.207CC..G310 helixtrans-72.8-27-161.5-59.8168.1000114.4F409 P410 A421 R452 W459F409-L457 HydrophobicContact CD1-CD1 3.75Å; F409-L457 HydrophobicContact CE1-CD1 3.33Å; F409-L457 HydrophobicContact CZ-CD1 4.44Å; P410-L457 HydrophobicContact CB-CD1 3.98Å; P410-L457 HydrophobicContact CG-CD1 4.26Å; P410-L457 HydrophobicContact CG-CD2 4.17Å; A421-L457 HydrophobicContact CB-CB 3.65Å; R452-L457 HydrophobicContact CG-CD1 3.91Å; R452-L457 HydrophobicContact CG-CG 4.29Å; R452-L457 PolarHBondContact O-N 3.24Å; L457-W459 PolarHBondContact O-N 3.49Å
458A94.9Very high91.4Very high0 Ų039.8 Ų39.80%021%0.209CC..G310 helixtrans-74.6-14.8174.100000113F422 V453 E456 S463 F621F422-A458 HydrophobicContact CB-CB 4.27Å; F422-A458 HydrophobicContact CD2-CB 4.48Å; V453-A458 HydrophobicContact CG1-CB 3.96Å; V453-A458 VanDerWaalsContact O-CB 3.26Å; V453-A458 WeakPolarHBondContact O-CB 3.26Å; V453-A458 PolarHBondContact O-N 3.35Å; E456-A458 PolarHBondContact O-N 2.97Å; A458-S463 WeakPolarHBondContact O-CB 3.23Å; A458-S463 PolarHBondContact O-OG 2.79Å; A458-F621 HydrophobicContact CB-CE2 3.52Å; A458-F621 HydrophobicContact CB-CZ 3.43Å; A458-F621 VanDerWaalsContact CB-CZ 3.43Å
459W95.7Very high91.2Very high0 Ų036.3 Ų36.30%020%0.197CC..G310 helixtrans-95.2-2.5-176.5-51.6109000114L454 E456 L457 F465 W466 F621 V625 T662 F665 K666 G667L454-W459 PolarHBondContact O-NE1 2.96Å; E456-W459 WeakPolarHBondContact O-CB 3.26Å; E456-W459 PolarHBondContact O-N 3.13Å; L457-W459 PolarHBondContact O-N 3.49Å; W459-F465 AromaticContact CE3-CD1 3.97Å; W459-F465 HydrophobicContact CE3-CD1 3.97Å; W459-F465 AromaticContact CE3-CE1 3.68Å; W459-F465 HydrophobicContact CE3-CE1 3.68Å; W459-F465 HydrophobicContact CE3-CZ 4.09Å; W459-F465 HydrophobicContact CH2-CE1 4.32Å; W459-F465 HydrophobicContact CH2-CE2 4.22Å; W459-F465 AromaticContact CH2-CZ 3.87Å; W459-F465 HydrophobicContact CH2-CZ 3.87Å; W459-F465 AromaticContact CZ3-CD1 3.98Å; W459-F465 HydrophobicContact CZ3-CD1 3.98Å; W459-F465 AromaticContact CZ3-CE1 3.28Å; W459-F465 HydrophobicContact CZ3-CE1 3.28Å; W459-F465 AromaticContact CZ3-CE2 3.92Å; W459-F465 HydrophobicContact CZ3-CE2 3.92Å; W459-F465 AromaticContact CZ3-CZ 3.25Å; W459-F465 HydrophobicContact CZ3-CZ 3.25Å; W459-W466 HydrophobicContact CB-CZ2 4.27Å; W459-W466 AromaticContact CE3-CH2 3.97Å; W459-W466 HydrophobicContact CE3-CH2 3.97Å; W459-W466 AromaticContact CE3-CZ2 3.84Å; W459-W466 HydrophobicContact CE3-CZ2 3.84Å; W459-W466 HydrophobicContact CZ3-CH2 4.43Å; W459-W466 WeakPolarHBondContact O-CZ2 3.22Å; W459-W466 PolarHBondContact O-NE1 3.36Å; W459-W466 VanDerWaalsContact O-NE1 3.09Å; W459-F621 AromaticContact CH2-CE1 3.7Å; W459-F621 HydrophobicContact CH2-CE1 3.7Å; W459-F621 HydrophobicContact CH2-CZ 4.4Å; W459-F621 AromaticContact CZ2-CE1 3.64Å; W459-F621 HydrophobicContact CZ2-CE1 3.64Å; W459-F621 AromaticContact CZ2-CZ 3.93Å; W459-F621 HydrophobicContact CZ2-CZ 3.93Å; W459-F621 HydrophobicContact CZ3-CE1 4.33Å; W459-V625 HydrophobicContact CH2-CG2 4.4Å; W459-V625 HydrophobicContact CZ2-CG1 4.1Å; W459-V625 HydrophobicContact CZ2-CG2 3.74Å; W459-T662 HydrophobicContact CZ3-CG2 3.96Å; W459-F665 HydrophobicContact CB-CB 4.45Å; W459-F665 WeakPolarHBondContact CB-O 3.32Å; W459-F665 HydrophobicContact CD2-CB 3.75Å; W459-F665 HydrophobicContact CD2-CG 4.44Å; W459-F665 HydrophobicContact CE3-CB 3.6Å; W459-F665 HydrophobicContact CE3-CG 4.36Å; W459-F665 HydrophobicContact CG-CB 4.12Å; W459-F665 HydrophobicContact CZ3-CB 4.03Å; W459-F665 HydrophobicContact CZ3-CG 4.37Å; W459-K666 WeakPolarHBondContact O-CA 3.23Å; W459-G667 PolarHBondContact O-N 3.4Å
460V91.9Very high90.5Very high67 Ų6742.5 Ų42.541%0.40623%0.226SC..SBendtrans-60.7149.5177.7-176.70000110.7S463 W466V460-S463 WeakPolarHBondContact O-CB 3.47Å; V460-S463 PolarHBondContact O-N 3.26Å; V460-S463 VanDerWaalsContact O-N 3.13Å; V460-W466 VanDerWaalsContact O-CD1 3.27Å; V460-W466 PolarHBondContact O-NE1 3.43Å
461E86.8Confident89.7Confident101 Ų10145.4 Ų45.447%0.47226%0.257SS..THydrogen-bonded Turntrans-58137.2172.8-177.1157.9-135.200111.7S463 K666 K739E461-S463 VanDerWaalsContact C-N 3.27Å; E461-S463 PolarHBondContact O-N 2.82Å; E461-K666 WeakPolarHBondContact OE1-CE 3.34Å; E461-K666 IonicContact OE1-NZ 3.91Å; E461-K666 PolarHBondContact OE1-NZ 2.96Å; E461-K739 IonicContact OE2-NZ 3.44Å
462G84.5Confident89Confident76 Ų7644.1 Ų44.178%0.78425%0.251SS*.THydrogen-bonded Turntrans81.8-3.9-173.400000114.9
463S89.5Confident88.5Confident17 Ų1747 Ų4712%0.11928%0.275CS..  trans-59.5138.6171.9176.50000111.7A458 V460 E461 F465 W466A458-S463 WeakPolarHBondContact O-CB 3.23Å; A458-S463 PolarHBondContact O-OG 2.79Å; V460-S463 WeakPolarHBondContact O-CB 3.47Å; V460-S463 PolarHBondContact O-N 3.26Å; V460-S463 VanDerWaalsContact O-N 3.13Å; E461-S463 VanDerWaalsContact C-N 3.27Å; E461-S463 PolarHBondContact O-N 2.82Å; S463-F465 PolarHBondContact O-N 2.88Å; S463-F465 WeakPolarHBondContact OG-CB 3.2Å; S463-F465 PolarHBondContact OG-N 3.25Å; S463-W466 PolarHBondContact O-N 3.08Å
464V86.4Confident88.2Confident41 Ų4147.6 Ų47.625%0.24828%0.278CS..Hα-helixtrans-55.1-24.3173.8-178.90000111.8F422 W466 L467 Y468F422-V464 HydrophobicContact CD1-CB 4.25Å; F422-V464 HydrophobicContact CD1-CG1 4.34Å; V464-W466 VanDerWaalsContact C-N 3.31Å; V464-W466 PolarHBondContact O-N 3.04Å; V464-L467 WeakPolarHBondContact O-CB 3.34Å; V464-L467 PolarHBondContact O-N 3.34Å; V464-Y468 HydrophobicContact CG1-CD1 4.04Å; V464-Y468 HydrophobicContact CG1-CD2 4.4Å; V464-Y468 HydrophobicContact CG1-CE1 3.64Å; V464-Y468 HydrophobicContact CG1-CE2 4.04Å; V464-Y468 HydrophobicContact CG1-CG 4.4Å; V464-Y468 PolarHBondContact O-N 3Å
465F91.2Very high87.7Confident0 Ų047.7 Ų47.70%028%0.278CS..Hα-helixtrans-52-48.6171.8174.2-93.8000112.2F422 W459 S463 L467 Y468 K469 M618 F621 I622 T662F422-F465 HydrophobicContact CB-CB 4.42Å; F422-F465 HydrophobicContact CD2-CB 3.81Å; F422-F465 AromaticContact CD2-CD2 3.95Å; F422-F465 HydrophobicContact CD2-CD2 3.95Å; F422-F465 HydrophobicContact CD2-CG 4.37Å; F422-F465 HydrophobicContact CE2-CB 4.25Å; F422-F465 AromaticContact CE2-CD2 3.7Å; F422-F465 HydrophobicContact CE2-CD2 3.7Å; F422-F465 HydrophobicContact CE2-CG 4.47Å; F422-F465 HydrophobicContact CG-CB 4.07Å; F422-F465 HydrophobicContact CZ-CD2 4.5Å; W459-F465 AromaticContact CE3-CD1 3.97Å; W459-F465 HydrophobicContact CE3-CD1 3.97Å; W459-F465 AromaticContact CE3-CE1 3.68Å; W459-F465 HydrophobicContact CE3-CE1 3.68Å; W459-F465 HydrophobicContact CE3-CZ 4.09Å; W459-F465 HydrophobicContact CH2-CE1 4.32Å; W459-F465 HydrophobicContact CH2-CE2 4.22Å; W459-F465 AromaticContact CH2-CZ 3.87Å; W459-F465 HydrophobicContact CH2-CZ 3.87Å; W459-F465 AromaticContact CZ3-CD1 3.98Å; W459-F465 HydrophobicContact CZ3-CD1 3.98Å; W459-F465 AromaticContact CZ3-CE1 3.28Å; W459-F465 HydrophobicContact CZ3-CE1 3.28Å; W459-F465 AromaticContact CZ3-CE2 3.92Å; W459-F465 HydrophobicContact CZ3-CE2 3.92Å; W459-F465 AromaticContact CZ3-CZ 3.25Å; W459-F465 HydrophobicContact CZ3-CZ 3.25Å; S463-F465 PolarHBondContact O-N 2.88Å; S463-F465 WeakPolarHBondContact OG-CB 3.2Å; S463-F465 PolarHBondContact OG-N 3.25Å; F465-L467 VanDerWaalsContact C-N 3.34Å; F465-L467 PolarHBondContact O-N 3.27Å; F465-Y468 PolarHBondContact O-N 3.43Å; F465-K469 HydrophobicContact CE1-CB 4.44Å; F465-K469 WeakPolarHBondContact O-CB 3.07Å; F465-K469 PolarHBondContact O-N 2.83Å; F465-M618 HydrophobicContact CD2-CE 3.83Å; F465-M618 HydrophobicContact CD2-SD 3.87Å; F465-M618 HydrophobicContact CE2-CE 3.45Å; F465-M618 VanDerWaalsContact CE2-CE 3.45Å; F465-M618 HydrophobicContact CE2-SD 4.03Å; F465-M618 HydrophobicContact CZ-CE 4.02Å; F465-F621 AromaticContact CD2-CD1 3.82Å; F465-F621 HydrophobicContact CD2-CD1 3.82Å; F465-F621 AromaticContact CD2-CE1 3.69Å; F465-F621 HydrophobicContact CD2-CE1 3.69Å; F465-F621 HydrophobicContact CD2-CZ 4.49Å; F465-F621 AromaticContact CE2-CD1 3.7Å; F465-F621 HydrophobicContact CE2-CD1 3.7Å; F465-F621 AromaticContact CE2-CE1 3.64Å; F465-F621 HydrophobicContact CE2-CE1 3.64Å; F465-I622 HydrophobicContact CE2-CD1 4.26Å; F465-I622 HydrophobicContact CZ-CD1 4.49Å; F465-T662 HydrophobicContact CE1-CG2 4.21Å; F465-T662 HydrophobicContact CZ-CG2 4.1Å
466W90.4Very high87.2Confident26 Ų2647.8 Ų47.810%0.09828%0.281CS..Hα-helixtrans-67.2-36.7-177-60.9112.2000111.7W459 V460 S463 V464 Y468 K469 E470 T662 E663 F665 K666W459-W466 HydrophobicContact CB-CZ2 4.27Å; W459-W466 AromaticContact CE3-CH2 3.97Å; W459-W466 HydrophobicContact CE3-CH2 3.97Å; W459-W466 AromaticContact CE3-CZ2 3.84Å; W459-W466 HydrophobicContact CE3-CZ2 3.84Å; W459-W466 HydrophobicContact CZ3-CH2 4.43Å; W459-W466 WeakPolarHBondContact O-CZ2 3.22Å; W459-W466 PolarHBondContact O-NE1 3.36Å; W459-W466 VanDerWaalsContact O-NE1 3.09Å; V460-W466 VanDerWaalsContact O-CD1 3.27Å; V460-W466 PolarHBondContact O-NE1 3.43Å; S463-W466 PolarHBondContact O-N 3.08Å; V464-W466 VanDerWaalsContact C-N 3.31Å; V464-W466 PolarHBondContact O-N 3.04Å; W466-Y468 VanDerWaalsContact C-N 3.34Å; W466-Y468 PolarHBondContact O-N 2.86Å; W466-K469 HydrophobicContact CE3-CD 4.03Å; W466-K469 HydrophobicContact CZ3-CD 4.11Å; W466-K469 WeakPolarHBondContact O-CB 3.31Å; W466-K469 PolarHBondContact O-N 3.45Å; W466-E470 PolarHBondContact O-N 3.24Å; W466-T662 WeakPolarHBondContact CH2-O 3.34Å; W466-T662 HydrophobicContact CZ3-CG2 4.37Å; W466-E663 WeakPolarHBondContact CZ3-OE1 3.41Å; W466-F665 HydrophobicContact CH2-CB 4.47Å; W466-K666 HydrophobicContact CH2-CB 3.92Å; W466-K666 VanDerWaalsContact CZ2-CA 3.45Å; W466-K666 HydrophobicContact CZ2-CB 3.61Å; W466-K666 HydrophobicContact CZ2-CG 3.96Å
467L84.6Confident86.5Confident118 Ų11844.5 Ų44.562%0.61827%0.266SS*.Hα-helixtrans-61.4-42.5173.2-178.766000111.6V464 F465V464-L467 WeakPolarHBondContact O-CB 3.34Å; V464-L467 PolarHBondContact O-N 3.34Å; F465-L467 VanDerWaalsContact C-N 3.34Å; F465-L467 PolarHBondContact O-N 3.27Å
468Y84.7Confident85.6Confident47 Ų4746.4 Ų46.418%0.18428%0.276CS..Hα-helixtrans-73-31.9178.8-72.63.5000112.5F422 V464 F465 W466 E470 G471 F472 T614 M618F422-Y468 AromaticContact CE1-CD2 3.59Å; F422-Y468 HydrophobicContact CE1-CD2 3.59Å; F422-Y468 AromaticContact CE1-CE2 3.74Å; F422-Y468 HydrophobicContact CE1-CE2 3.74Å; F422-Y468 HydrophobicContact CZ-CD2 4.04Å; V464-Y468 HydrophobicContact CG1-CD1 4.04Å; V464-Y468 HydrophobicContact CG1-CD2 4.4Å; V464-Y468 HydrophobicContact CG1-CE1 3.64Å; V464-Y468 HydrophobicContact CG1-CE2 4.04Å; V464-Y468 HydrophobicContact CG1-CG 4.4Å; V464-Y468 PolarHBondContact O-N 3Å; F465-Y468 PolarHBondContact O-N 3.43Å; W466-Y468 VanDerWaalsContact C-N 3.34Å; W466-Y468 PolarHBondContact O-N 2.86Å; Y468-E470 VanDerWaalsContact C-N 3.32Å; Y468-E470 PolarHBondContact O-N 3.32Å; Y468-G471 PolarHBondContact O-N 3.48Å; Y468-F472 VanDerWaalsContact O-CB 3.23Å; Y468-F472 WeakPolarHBondContact O-CB 3.37Å; Y468-F472 PolarHBondContact O-N 2.67Å; Y468-T614 HydrophobicContact CD1-CG2 3.86Å; Y468-T614 HydrophobicContact CD2-CG2 4.03Å; Y468-T614 HydrophobicContact CE1-CG2 3.6Å; Y468-T614 HydrophobicContact CE2-CG2 3.77Å; Y468-T614 HydrophobicContact CG-CG2 4.08Å; Y468-M618 VanDerWaalsContact CB-SD 3.57Å; Y468-M618 HydrophobicContact CD2-CG 4.12Å; Y468-M618 HydrophobicContact CD2-SD 4.16Å; Y468-M618 HydrophobicContact CG-CG 4.47Å; Y468-M618 HydrophobicContact CG-SD 4.41Å
469K85.1Confident84.7Confident47 Ų4750.4 Ų50.420%0.20430%0.295CS..Hα-helixtrans-60.8-38.1177.2-169.6-144.8169.4-166.90112.2F465 W466 G471 F472 I474 M618 E663F465-K469 HydrophobicContact CE1-CB 4.44Å; F465-K469 WeakPolarHBondContact O-CB 3.07Å; F465-K469 PolarHBondContact O-N 2.83Å; W466-K469 HydrophobicContact CE3-CD 4.03Å; W466-K469 HydrophobicContact CZ3-CD 4.11Å; W466-K469 WeakPolarHBondContact O-CB 3.31Å; W466-K469 PolarHBondContact O-N 3.45Å; K469-G471 PolarHBondContact O-N 2.71Å; K469-G471 VanDerWaalsContact O-N 3.12Å; K469-F472 PolarHBondContact O-N 3.43Å; K469-F472 VanDerWaalsContact O-O 3.07Å; K469-I474 HydrophobicContact CG-CD1 4.33Å; K469-M618 HydrophobicContact CB-CE 4.26Å; K469-E663 WeakPolarHBondContact CD-OE1 3.43Å; K469-E663 IonicContact NZ-OE1 3.62Å; K469-E663 PolarHBondContact NZ-OE1 3.03Å
470E78Confident83.6Confident134 Ų13450.5 Ų50.563%0.62630%0.295SS*.THydrogen-bonded Turntrans-57.2-29.7-179.7-69.1-171.9161.800113.2W466 Y468 K722W466-E470 PolarHBondContact O-N 3.24Å; Y468-E470 VanDerWaalsContact C-N 3.32Å; Y468-E470 PolarHBondContact O-N 3.32Å; E470-K722 IonicContact OE1-NZ 3.34Å; E470-K722 PolarHBondContact OE1-NZ 3.07Å
471G75.6Confident82.3Confident64 Ų6450 Ų5066%0.6629%0.294SS*.THydrogen-bonded Turntrans-102.25.417600000115.4Y468 K469Y468-G471 PolarHBondContact O-N 3.48Å; K469-G471 PolarHBondContact O-N 2.71Å; K469-G471 VanDerWaalsContact O-N 3.12Å
472F78.2Confident80.6Confident14 Ų1451.1 Ų51.16%0.06130%0.299CS..  trans-135.4116.2-169.2177.7-95000112.2Y468 K469 I474 P475 R615 M618Y468-F472 VanDerWaalsContact O-CB 3.23Å; Y468-F472 WeakPolarHBondContact O-CB 3.37Å; Y468-F472 PolarHBondContact O-N 2.67Å; K469-F472 PolarHBondContact O-N 3.43Å; K469-F472 VanDerWaalsContact O-O 3.07Å; F472-I474 HydrophobicContact CD1-CG1 4.15Å; F472-I474 HydrophobicContact CE1-CG1 4.13Å; F472-I474 PolarHBondContact O-N 3.4Å; F472-P475 VanDerWaalsContact CE1-CD 3.43Å; F472-P475 HydrophobicContact CZ-CG 4.05Å; F472-R615 HydrophobicContact CD2-CB 4.24Å; F472-R615 HydrophobicContact CD2-CG 3.88Å; F472-R615 HydrophobicContact CE2-CB 4.27Å; F472-R615 HydrophobicContact CE2-CG 3.61Å; F472-M618 HydrophobicContact CD1-CB 3.76Å; F472-M618 HydrophobicContact CD1-CE 3.77Å; F472-M618 HydrophobicContact CD1-CG 4.17Å; F472-M618 HydrophobicContact CD2-CB 4.03Å; F472-M618 HydrophobicContact CE1-CB 3.54Å; F472-M618 HydrophobicContact CE1-CE 4.27Å; F472-M618 HydrophobicContact CE1-CG 4.43Å; F472-M618 HydrophobicContact CE2-CB 3.83Å; F472-M618 HydrophobicContact CG-CB 3.98Å; F472-M618 HydrophobicContact CG-CE 4.45Å; F472-M618 HydrophobicContact CG-CG 4.2Å; F472-M618 HydrophobicContact CZ-CB 3.57Å
473T84.3Confident78.5Confident119 Ų11952.3 Ų52.373%0.7328%0.283SS*.PPolyproline II helixtrans-71.8127.1167.151.40000109.9P475T473-P475 WeakPolarHBondContact O-CD 3.24Å
474I87.7Confident76.1Confident13 Ų1353.1 Ų53.17%0.06729%0.285CS..PPolyproline II helixtrans-73120.7-177.6-69.8166.4000109.5K469 F472 I622 V658 M659 T662K469-I474 HydrophobicContact CG-CD1 4.33Å; F472-I474 HydrophobicContact CD1-CG1 4.15Å; F472-I474 HydrophobicContact CE1-CG1 4.13Å; F472-I474 PolarHBondContact O-N 3.4Å; I474-I622 HydrophobicContact CD1-CD1 4.4Å; I474-I622 HydrophobicContact CG1-CD1 4.41Å; I474-I622 HydrophobicContact CG2-CD1 4.02Å; I474-I622 HydrophobicContact CG2-CG1 4.13Å; I474-I622 HydrophobicContact CG2-CG2 4Å; I474-V658 VanDerWaalsContact CD1-O 3.29Å; I474-V658 WeakPolarHBondContact CD1-O 3.5Å; I474-V658 HydrophobicContact CG2-CG1 3.88Å; I474-M659 HydrophobicContact CG2-CG 4.33Å; I474-T662 HydrophobicContact CD1-CG2 3.45Å; I474-T662 VanDerWaalsContact CD1-CG2 3.45Å; I474-T662 WeakPolarHBondContact CD1-OG1 3.39Å
475P87.3Confident73.4Confident4 Ų453.8 Ų53.83%0.02630%0.295CS..PPolyproline II helixtrans-71.8149.4-178.429.7-35.9000110.9F472 T473 E479 V480 Y626F472-P475 VanDerWaalsContact CE1-CD 3.43Å; F472-P475 HydrophobicContact CZ-CG 4.05Å; T473-P475 WeakPolarHBondContact O-CD 3.24Å; P475-E479 HydrophobicContact CB-CB 3.95Å; P475-E479 WeakPolarHBondContact CB-OE2 3.14Å; P475-V480 HydrophobicContact CB-CG2 3.82Å; P475-V480 HydrophobicContact CG-CG2 3.41Å; P475-V480 VanDerWaalsContact CG-CG2 3.41Å; P475-Y626 PolarHBondContact O-OH 3.45Å
476S84.3Confident70.5Confident17 Ų1762.8 Ų62.812%0.11933%0.33CS..PPolyproline II helixtrans-62.1158.3170.759.90000112.1L478 E479 V480S476-L478 PolarHBondContact O-N 3.46Å; S476-E479 PolarHBondContact N-OE1 3.45Å; S476-E479 WeakPolarHBondContact O-CB 2.85Å; S476-E479 PolarHBondContact O-N 2.94Å; S476-E479 VanDerWaalsContact O-N 3.1Å; S476-E479 WeakPolarHBondContact OG-CB 3.23Å; S476-E479 VanDerWaalsContact OG-CG 3.27Å; S476-E479 WeakPolarHBondContact OG-CG 3.4Å; S476-E479 PolarHBondContact OG-N 3.19Å; S476-E479 PolarHBondContact OG-OE1 2.97Å; S476-V480 WeakPolarHBondContact O-CG2 2.93Å; S476-V480 PolarHBondContact O-N 2.98Å
477A79.7Confident67.7Low2 Ų268.5 Ų68.52%0.01735%0.353CS..Hα-helixtrans-59-33.9175.400000111.4C481 Y626 W651 E655 P780A477-C481 WeakPolarHBondContact O-CB 3.35Å; A477-C481 PolarHBondContact O-N 2.78Å; A477-C481 PolarHBondContact O-SG 3.1Å; A477-Y626 HydrophobicContact CB-CD1 4.28Å; A477-Y626 HydrophobicContact CB-CD2 3.71Å; A477-Y626 HydrophobicContact CB-CE1 4.43Å; A477-Y626 HydrophobicContact CB-CE2 3.84Å; A477-Y626 HydrophobicContact CB-CG 3.95Å; A477-W651 HydrophobicContact CB-CZ2 3.82Å; A477-E655 WeakPolarHBondContact CA-OE1 3.37Å; A477-E655 HydrophobicContact CB-CG 4.33Å; A477-E655 WeakPolarHBondContact CB-OE1 3.21Å; A477-E655 PolarHBondContact N-OE1 3.04Å; A477-P780 HydrophobicContact CB-CG 4.47Å
478L77.9Confident65Low68 Ų6866.2 Ų66.236%0.35634%0.341SS..Hα-helixtrans-64.3-47.8173.8-17762.8000111.7S476 V480 C481 H482 P778S476-L478 PolarHBondContact O-N 3.46Å; L478-V480 VanDerWaalsContact C-N 3.3Å; L478-V480 PolarHBondContact O-N 3.38Å; L478-C481 PolarHBondContact O-N 2.91Å; L478-H482 WeakPolarHBondContact O-CB 3.41Å; L478-H482 PolarHBondContact O-N 2.96Å; L478-P778 HydrophobicContact CD1-CG 4.11Å
479E74Confident62.4Low84 Ų8470.5 Ų70.539%0.39337%0.365SS..Hα-helixtrans-59.6-41.7177.5-80.3166.7-119.500112.2P475 S476 C481 H482 K483P475-E479 HydrophobicContact CB-CB 3.95Å; P475-E479 WeakPolarHBondContact CB-OE2 3.14Å; S476-E479 PolarHBondContact N-OE1 3.45Å; S476-E479 WeakPolarHBondContact O-CB 2.85Å; S476-E479 PolarHBondContact O-N 2.94Å; S476-E479 VanDerWaalsContact O-N 3.1Å; S476-E479 WeakPolarHBondContact OG-CB 3.23Å; S476-E479 VanDerWaalsContact OG-CG 3.27Å; S476-E479 WeakPolarHBondContact OG-CG 3.4Å; S476-E479 PolarHBondContact OG-N 3.19Å; S476-E479 PolarHBondContact OG-OE1 2.97Å; E479-C481 VanDerWaalsContact C-N 3.34Å; E479-H482 PolarHBondContact O-N 3.44Å; E479-K483 VanDerWaalsContact O-CB 3.23Å; E479-K483 WeakPolarHBondContact O-CB 3.38Å; E479-K483 PolarHBondContact O-N 2.96Å
480V73.9Confident59.6Low1 Ų175 Ų751%0.00639%0.392CS..Hα-helixtrans-68.6-35.8178.9-178.80000111.3P475 S476 L478 I484 T619 I622 K623 Y626P475-V480 HydrophobicContact CB-CG2 3.82Å; P475-V480 HydrophobicContact CG-CG2 3.41Å; P475-V480 VanDerWaalsContact CG-CG2 3.41Å; S476-V480 WeakPolarHBondContact O-CG2 2.93Å; S476-V480 PolarHBondContact O-N 2.98Å; L478-V480 VanDerWaalsContact C-N 3.3Å; L478-V480 PolarHBondContact O-N 3.38Å; V480-I484 WeakPolarHBondContact O-CD1 3.49Å; V480-I484 WeakPolarHBondContact O-CG1 3.39Å; V480-T619 HydrophobicContact CG1-CG2 4.28Å; V480-T619 HydrophobicContact CG2-CG2 4.24Å; V480-I622 HydrophobicContact CG2-CG2 4.46Å; V480-K623 HydrophobicContact CG1-CB 3.32Å; V480-K623 HydrophobicContact CG1-CD 4.03Å; V480-K623 HydrophobicContact CG1-CG 3.53Å; V480-Y626 HydrophobicContact CG2-CE2 4.47Å
481C65.3Low57.1Low56 Ų5673.3 Ų73.338%0.37839%0.387SS..Hα-helixtrans-70.6-43.1174.1-69.70000112.4A477 L478 E479 A485A477-C481 WeakPolarHBondContact O-CB 3.35Å; A477-C481 PolarHBondContact O-N 2.78Å; A477-C481 PolarHBondContact O-SG 3.1Å; L478-C481 PolarHBondContact O-N 2.91Å; E479-C481 VanDerWaalsContact C-N 3.34Å; C481-A485 PolarHBondContact O-N 3.39Å; C481-A485 VanDerWaalsContact O-N 3.1Å
482H49.3Very low54.7Low126 Ų12675.6 Ų75.658%0.58339%0.392SS*.Hα-helixtrans-78-41-176.6-89.3-139.7000113.8L478 E479 I484 A485 Y486L478-H482 WeakPolarHBondContact O-CB 3.41Å; L478-H482 PolarHBondContact O-N 2.96Å; E479-H482 PolarHBondContact O-N 3.44Å; H482-I484 PolarHBondContact O-N 2.84Å; H482-A485 PolarHBondContact O-N 3.49Å; H482-Y486 PolarHBondContact O-N 3.2Å
483K41.4Very low52.2Low101 Ų10177.6 Ų77.644%0.43941%0.406SS..Hα-helixtrans-52.7-34.2173.7-90.2174.3175.1158.90110.2E479 Y487E479-K483 VanDerWaalsContact O-CB 3.23Å; E479-K483 WeakPolarHBondContact O-CB 3.38Å; E479-K483 PolarHBondContact O-N 2.96Å; K483-Y487 WeakPolarHBondContact O-CD2 3.49Å
484I38.4Very low49.6Very low34 Ų3475.5 Ų75.517%0.17439%0.394CS..Hα-helixtrans-89.7-24.7-178.1-62.7175.5000112.6V480 H482 Y486 Y487 L488 K623V480-I484 WeakPolarHBondContact O-CD1 3.49Å; V480-I484 WeakPolarHBondContact O-CG1 3.39Å; H482-I484 PolarHBondContact O-N 2.84Å; I484-Y486 PolarHBondContact O-N 2.94Å; I484-Y487 CarbonylContact O-C 3.51Å; I484-Y487 PolarHBondContact O-N 3.39Å; I484-L488 HydrophobicContact CG2-CD1 3.49Å; I484-L488 VanDerWaalsContact CG2-CD1 3.49Å; I484-L488 HydrophobicContact CG2-CD2 4.1Å; I484-L488 HydrophobicContact CG2-CG 3.4Å; I484-L488 WeakPolarHBondContact O-CB 3.34Å; I484-L488 WeakPolarHBondContact O-CG 3.47Å; I484-L488 PolarHBondContact O-N 3.08Å; I484-K623 HydrophobicContact CD1-CD 3.57Å; I484-K623 VanDerWaalsContact CD1-NZ 3.34Å
485A30.3Very low46.9Very low55 Ų5581.6 Ų81.646%0.45542%0.417SS..Hα-helixtrans-59.2-31.7169.400000112.4C481 H482C481-A485 PolarHBondContact O-N 3.39Å; C481-A485 VanDerWaalsContact O-N 3.1Å; H482-A485 PolarHBondContact O-N 3.49Å
486Y29.6Very low44Very low188 Ų18883.7 Ų83.774%0.73743%0.427SS*.Hα-helixtrans-72.3-35.4171.8-170.6-99.6000113H482 I484H482-Y486 PolarHBondContact O-N 3.2Å; I484-Y486 PolarHBondContact O-N 2.94Å
487Y31.6Very low41.2Very low146 Ų14685.6 Ų85.657%0.57344%0.438SS*.Hα-helixtrans-85.2-25.7177.8-72.2-69.7000114.4K483 I484 I489 N490K483-Y487 WeakPolarHBondContact O-CD2 3.49Å; I484-Y487 CarbonylContact O-C 3.51Å; I484-Y487 PolarHBondContact O-N 3.39Å; Y487-I489 VanDerWaalsContact C-N 3.29Å; Y487-I489 PolarHBondContact O-N 3.09Å; Y487-N490 PolarHBondContact O-N 3.35Å; Y487-N490 VanDerWaalsContact O-N 3.14Å
488L28.1Very low38.7Very low70 Ų7089.2 Ų89.237%0.36645%0.454SS..THydrogen-bonded Turntrans-75-13.6-177.4-80.8172.4000114I484 N490 L491 T493I484-L488 HydrophobicContact CG2-CD1 3.49Å; I484-L488 VanDerWaalsContact CG2-CD1 3.49Å; I484-L488 HydrophobicContact CG2-CD2 4.1Å; I484-L488 HydrophobicContact CG2-CG 3.4Å; I484-L488 WeakPolarHBondContact O-CB 3.34Å; I484-L488 WeakPolarHBondContact O-CG 3.47Å; I484-L488 PolarHBondContact O-N 3.08Å; L488-N490 PolarHBondContact O-N 3.5Å; L488-L491 WeakPolarHBondContact CD2-O 3.33Å; L488-T493 HydrophobicContact CD2-CG2 3.51Å; L488-T493 WeakPolarHBondContact CD2-OG1 3.4Å
489I30.1Very low36.2Very low137 Ų13790.8 Ų90.870%0.70346%0.456SS*.THydrogen-bonded Turntrans-59.5-23.6167.9-65.6175.4000110Y487Y487-I489 VanDerWaalsContact C-N 3.29Å; Y487-I489 PolarHBondContact O-N 3.09Å
490N25.9Very low33.9Very low141 Ų14192.8 Ų92.875%0.75446%0.461SS*.SBendtrans-121.16.7-176.9-70.5-28.4000116.3Y487 L488Y487-N490 PolarHBondContact O-N 3.35Å; Y487-N490 VanDerWaalsContact O-N 3.14Å; L488-N490 PolarHBondContact O-N 3.5Å
491L25.3Very low31.5Very low100 Ų100103.6 Ų103.652%0.52450%0.502SS..  trans-142.2126.8179.9-135.473.3000114.5L488 T493L488-L491 WeakPolarHBondContact CD2-O 3.33Å; L491-T493 PolarHBondContact O-N 3.02Å
492S25.9Very low29.5Very low111 Ų111105.3 Ų105.378%0.77651%0.512SS*.  trans-67.380.7179.4-49.20000112.3P494S492-P494 VanDerWaalsContact O-CD 3.26Å; S492-P494 WeakPolarHBondContact O-CD 3.44Å
493T25.8Very low28.3Very low56 Ų56106.7 Ų106.734%0.34452%0.517SS..  trans-85.9112.7171.359.70000111.2L488 L491L488-T493 HydrophobicContact CD2-CG2 3.51Å; L488-T493 WeakPolarHBondContact CD2-OG1 3.4Å; L491-T493 PolarHBondContact O-N 3.02Å
494P28.9Very low27.6Very low76 Ų76113.8 Ų113.849%0.49454%0.541SS..  trans-85.2156.716727.9-13.2000111.3K433 S492K433-P494 HydrophobicContact CD-CG 4.44Å; K433-P494 VanDerWaalsContact CE-CD 3.4Å; K433-P494 HydrophobicContact CG-CG 4.23Å; S492-P494 VanDerWaalsContact O-CD 3.26Å; S492-P494 WeakPolarHBondContact O-CD 3.44Å
495R30.9Very low26.9Very low141 Ų141115.5 Ų115.553%0.53257%0.567SS.*  trans-62.5146.3-171.7-63.8169.4171.2164.1-3.8114.4T497R495-T497 HydrophobicContact CB-CG2 3.76Å; R495-T497 VanDerWaalsContact CD-CG2 3.44Å; R495-T497 HydrophobicContact CG-CG2 4.26Å; R495-T497 PolarHBondContact O-N 3.44Å
496I27.4Very low26.6Very low48 Ų48119.5 Ų119.525%0.24658%0.576CS.*  trans-67.181.8137.2-60.3171.5000105.9H498I496-H498 PolarHBondContact O-N 3.37Å
497T25.4Very low26.4Very low57 Ų57117 Ų11735%0.3557%0.574SS.*  trans-71.5105.9168.329.10000107.5R495 Y499R495-T497 HydrophobicContact CB-CG2 3.76Å; R495-T497 VanDerWaalsContact CD-CG2 3.44Å; R495-T497 HydrophobicContact CG-CG2 4.26Å; R495-T497 PolarHBondContact O-N 3.44Å; T497-Y499 PolarHBondContact O-N 3.04Å
498H27.2Very low26Very low78 Ų78114.8 Ų114.836%0.36158%0.577SS.*  trans-54.3104.7159.1-77.1-75.5000108.8E451 I496 Y500 V631E451-H498 IonicContact OE1-CE1 3.71Å; I496-H498 PolarHBondContact O-N 3.37Å; H498-Y500 PolarHBondContact O-N 2.97Å; H498-V631 WeakPolarHBondContact NE2-CG1 3.48Å
499Y25.3Very low25.8Very low100 Ų100117.3 Ų117.339%0.39260%0.596SS.*SBendtrans-75.433.5164.3-79.3-76.3000111.6R440 T497R440-Y499 PolarHBondContact NH2-O 3.41Å; T497-Y499 PolarHBondContact O-N 3.04Å
500Y25.6Very low25.4Very low126 Ų126119.3 Ų119.349%0.49460%0.599SS.*  trans-125.876.1168.5-77.5-71.7000108.5K444 H498 P502K444-Y500 HydrophobicContact CD-CE2 4.25Å; K444-Y500 VanDerWaalsContact CE-CE2 3.47Å; K444-Y500 WeakPolarHBondContact CE-OH 3.37Å; K444-Y500 HydrophobicContact CG-CE2 4.41Å; K444-Y500 PolarHBondContact NZ-OH 2.68Å; H498-Y500 PolarHBondContact O-N 2.97Å; Y500-P502 WeakPolarHBondContact O-CD 3.46Å
501R23.1Very low25.3Very low228 Ų228117.5 Ų117.586%0.8660%0.598SS**  trans-73.5116.6152.2-141.9-178.7-166.6-179.53104.8K503R501-K503 PolarHBondContact O-N 2.8Å; R501-K503 VanDerWaalsContact O-N 3.08Å
502P24Very low25.2Very low93 Ų93120.9 Ų120.960%0.60461%0.611SS**  trans-55.2122.8159.9-5.616.7000105.3Y500 R504Y500-P502 WeakPolarHBondContact O-CD 3.46Å; P502-R504 PolarHBondContact O-N 3.43Å
503K25.1Very low25.1Very low155 Ų155126 Ų12667%0.67461%0.613SS**  trans-55106.3170.7-85-177.8171.8177.30106.4R501 G505 Q506R501-K503 PolarHBondContact O-N 2.8Å; R501-K503 VanDerWaalsContact O-N 3.08Å; K503-G505 PolarHBondContact O-N 2.58Å; K503-G505 VanDerWaalsContact O-N 3.1Å; K503-Q506 VanDerWaalsContact CD-OE1 3.31Å
504R24.8Very low25.1Very low250 Ų250131 Ų13194%0.94364%0.638SS**THydrogen-bonded Turntrans-55.5117.6165.4-81.3-174.1-179.9-174.8-1.3106.3P502P502-R504 PolarHBondContact O-N 3.43Å
505G25.7Very low24.8Very low70 Ų70130.6 Ų130.672%0.72265%0.647SS**THydrogen-bonded Turntrans8915.816000000118.6K503 I507K503-G505 PolarHBondContact O-N 2.58Å; K503-G505 VanDerWaalsContact O-N 3.1Å; G505-I507 VanDerWaalsContact C-N 3.32Å; G505-I507 PolarHBondContact O-N 3.23Å
506Q23.9Very low24.8Very low138 Ų138130.1 Ų130.165%0.64566%0.662SS**  trans-90.682155.4-81.7-174.6-22.400108.3K503 P508K503-Q506 VanDerWaalsContact CD-OE1 3.31Å; Q506-P508 WeakPolarHBondContact O-CD 3.36Å
507I24.2Very low24.6Very low137 Ų137133.2 Ų133.270%0.70369%0.688SS**  trans-55.2117.7157.3-59.8168000105G505 V509G505-I507 VanDerWaalsContact C-N 3.32Å; G505-I507 PolarHBondContact O-N 3.23Å; I507-V509 HydrophobicContact CG2-CG2 4.35Å; I507-V509 PolarHBondContact O-N 3.39Å
508P23.1Very low24.6Very low98 Ų98138.1 Ų138.164%0.63671%0.707SS**  trans-6798.3165.6-1.217.3000104.9Q506 F510Q506-P508 WeakPolarHBondContact O-CD 3.36Å; P508-F510 HydrophobicContact CB-CD2 4.36Å; P508-F510 HydrophobicContact CB-CE2 4.18Å; P508-F510 WeakPolarHBondContact O-CD2 3Å; P508-F510 PolarHBondContact O-N 3.3Å
509V23.2Very low24.3Very low124 Ų124146 Ų14675%0.75273%0.733SS**  trans-6694.3165.1179.50000104.6I507 S511I507-V509 HydrophobicContact CG2-CG2 4.35Å; I507-V509 PolarHBondContact O-N 3.39Å; V509-S511 PolarHBondContact O-N 2.81Å
510F23.5Very low24.3Very low178 Ų178150.3 Ų150.378%0.78176%0.755SS**  trans-61.688.8160.2-77.2-86.9000106.2P508 H512P508-F510 HydrophobicContact CB-CD2 4.36Å; P508-F510 HydrophobicContact CB-CE2 4.18Å; P508-F510 WeakPolarHBondContact O-CD2 3Å; P508-F510 PolarHBondContact O-N 3.3Å; F510-H512 VanDerWaalsContact C-N 3.33Å; F510-H512 PolarHBondContact O-N 2.75Å
511S23.8Very low24.1Very low103 Ų103148.7 Ų148.772%0.7276%0.762SS**  trans-65.2104.3160.4-170.80000106V509V509-S511 PolarHBondContact O-N 2.81Å
512H22.5Very low24.1Very low172 Ų172144 Ų14480%0.79676%0.758SS**  trans-51.6142.8165.9-107.4-91.1000109.8F510F510-H512 VanDerWaalsContact C-N 3.33Å; F510-H512 PolarHBondContact O-N 2.75Å
513R23Very low24.1Very low218 Ų218146.9 Ų146.982%0.82377%0.769SS**  trans84.391.3178.4-55-177.3-179.2-158.8-0.3114.2
514D26.1Very low24Very low162 Ų162148.6 Ų148.687%0.86678%0.779SS**  -163.6149.592.2-80.1-33000110.6
515G23.1Very low23.9Very low67 Ų67139.6 Ų139.669%0.69176%0.764SS**  trans-72.6-178.2-164.400000116.2S517G515-S517 PolarHBondContact O-N 2.89Å
516P30.1Very low23.9Very low130 Ų130142.5 Ų142.584%0.84477%0.768SS**SBendtrans-88111.7-160.233.5-30000111
517S23.2Very low23.9Very low113 Ų113141.1 Ų141.179%0.7977%0.771SS**  trans175.2110.4150.9-86.30000108.1G515G515-S517 PolarHBondContact O-N 2.89Å
518Q26.4Very low23.9Very low160 Ų160140.7 Ų140.775%0.74878%0.777SS**  trans-160.294130.6-75-137.65.600107.3F520Q518-F520 PolarHBondContact O-N 3.02Å; Q518-F520 VanDerWaalsContact O-N 3.09Å
519R20Very low23.9Very low243 Ų243145.2 Ų145.292%0.91779%0.787SS**  trans-50.2110.9150.2-77.8176.5170177.6-3.9106.1S521R519-S521 VanDerWaalsContact C-N 3.26Å; R519-S521 PolarHBondContact O-N 3.16Å
520F26.1Very low24Very low191 Ų191143.8 Ų143.884%0.83878%0.783SS**  trans-69.797168.1-85.1-81.5000107.5Q518Q518-F520 PolarHBondContact O-N 3.02Å; Q518-F520 VanDerWaalsContact O-N 3.09Å
521S21.8Very low24.1Very low93 Ų93140.4 Ų140.465%0.6579%0.788SS**  trans-53.7139.5170.1-161.60000110.3R519 N523R519-S521 VanDerWaalsContact C-N 3.26Å; R519-S521 PolarHBondContact O-N 3.16Å; S521-N523 PolarHBondContact O-N 3.4Å
522V22.1Very low24.2Very low129 Ų129141.2 Ų141.278%0.78279%0.792SS**  trans-58.9101166.3175.20000107.6Q524V522-Q524 PolarHBondContact O-N 2.82Å; V522-Q524 VanDerWaalsContact O-N 3.07Å
523N25.2Very low24.2Very low154 Ų154143.6 Ų143.682%0.82479%0.794SS**  trans-71.8103.2167.8-85.9-17.7000108.5S521 G525S521-N523 PolarHBondContact O-N 3.4Å; N523-G525 PolarHBondContact O-N 3.3Å
524Q21.8Very low24.2Very low190 Ų190144.3 Ų144.389%0.88880%0.796SS**  trans-51.2124.6155.8-63.7173.6-5.300108.9V522V522-Q524 PolarHBondContact O-N 2.82Å; V522-Q524 VanDerWaalsContact O-N 3.07Å
525G24.2Very low24.1Very low62 Ų62143.9 Ų143.964%0.63979%0.793SS**  trans157.884.9174.400000114N523N523-G525 PolarHBondContact O-N 3.3Å
526T24Very low24.1Very low130 Ų130146.3 Ų146.380%0.79879%0.791SS**  trans72.3126.9169.762.70000117.8
527P23.8Very low24Very low109 Ų109144.9 Ų144.971%0.70878%0.775SS**  trans-65.1150.418027.7-32.5000110.3K529P527-K529 PolarHBondContact O-N 2.89Å
528P25.5Very low24.1Very low129 Ų129145.6 Ų145.684%0.83877%0.77SS**  trans-59108.4-177.424.1-31.5000108.7S530P528-S530 PolarHBondContact O-N 3.38Å
529K23.3Very low24.1Very low193 Ų193143.6 Ų143.684%0.83977%0.765SS**  trans-54.2108.9166.1-74.7178.3178.1173.40106.2P527 A531P527-K529 PolarHBondContact O-N 2.89Å; K529-A531 PolarHBondContact O-N 3.49Å
530S25.1Very low24.3Very low94 Ų94137.2 Ų137.266%0.65775%0.753SS**  trans-19.9100.4165.938.40000111.7P528 C532P528-S530 PolarHBondContact O-N 3.38Å; S530-C532 PolarHBondContact O-N 3.34Å
531A25.1Very low24.3Very low107 Ų107133.6 Ų133.688%0.88475%0.751SS**  trans-73.535.8164.300000110.4K529 R533K529-A531 PolarHBondContact O-N 3.49Å; A531-R533 VanDerWaalsContact C-N 3.29Å
532C25.5Very low24.4Very low120 Ų120133.1 Ų133.181%0.81175%0.747SS**  trans-92.967.7155.8-89.60000106.8S530S530-C532 PolarHBondContact O-N 3.34Å
533R23Very low24.4Very low222 Ų222130 Ų13084%0.83873%0.731SS**  trans-107.9101.1160-80-167.1-173.3-171.71.7108.6A531A531-R533 VanDerWaalsContact C-N 3.29Å
534R22.5Very low24.3Very low232 Ų232129.6 Ų129.688%0.87573%0.727SS**  trans6571.3145.3-61.9178.2166-174.4-7114.8N536R534-N536 VanDerWaalsContact C-N 3.34Å; R534-N536 PolarHBondContact O-N 2.9Å
535L23.5Very low24.3Very low153 Ų153131.6 Ų131.680%0.80173%0.726SS**  trans-70.8101.6143.9-65.1177.2000105.9L537L535-L537 VanDerWaalsContact C-N 3.33Å; L535-L537 HydrophobicContact CB-CD1 4.26Å; L535-L537 PolarHBondContact O-N 3.36Å
536N23.2Very low24.2Very low119 Ų119134.9 Ų134.964%0.63673%0.729SS**  trans-70.893.7175.6-159-2.9000107.1R534 D538R534-N536 VanDerWaalsContact C-N 3.34Å; R534-N536 PolarHBondContact O-N 2.9Å; N536-D538 PolarHBondContact O-N 2.91Å
537L28.3Very low24.1Very low100 Ų100136.1 Ų136.152%0.52473%0.73SS.*G310 helixtrans-781.3-169.4-133.778.8000113.5L535 N539L535-L537 VanDerWaalsContact C-N 3.33Å; L535-L537 HydrophobicContact CB-CD1 4.26Å; L535-L537 PolarHBondContact O-N 3.36Å; L537-N539 PolarHBondContact O-N 2.83Å
538D25.4Very low24Very low127 Ų127136.3 Ų136.368%0.67973%0.73SS**G310 helixtrans-71.5-11.4-177.9-63-16.1000113.5N536N536-D538 PolarHBondContact O-N 2.91Å
539N26.3Very low23.8Very low119 Ų119136.9 Ų136.964%0.63673%0.731SS**G310 helixtrans-95.5-0.6-176.4-76.7-26.6000115.5L537L537-N539 PolarHBondContact O-N 2.83Å
540V24.9Very low23.7Very low109 Ų109133.1 Ų133.166%0.66173%0.728SS**SBendtrans-89.4-22.1173.8-170.30000111.7S542V540-S542 VanDerWaalsContact C-N 3.32Å; V540-S542 PolarHBondContact O-N 3.12Å
541S25.8Very low23.6Very low115 Ų115138 Ų13880%0.80474%0.74SS**G310 helixtrans-69.6-25.2177.7-160.50000113.4
542S24.6Very low23.6Very low82 Ų82136.6 Ų136.657%0.57374%0.736SS**G310 helixtrans-91.31.1-176.764.60000115.6V540V540-S542 VanDerWaalsContact C-N 3.32Å; V540-S542 PolarHBondContact O-N 3.12Å
543C22.1Very low23.5Very low65 Ų65141.4 Ų141.444%0.43974%0.743SS.*G310 helixtrans-116.225.2-171.5-77.70000115.7K794C543-K794 PolarHBondContact SG-NZ 2.99Å
544I23.4Very low23.7Very low144 Ų144134.3 Ų134.374%0.73874%0.739SS**  trans-138.577.7161.5-51.4178.7000109
545R21.1Very low23.9Very low232 Ų232129.5 Ų129.588%0.87574%0.741SS**  trans-86.9112.5157.9-73.5-168.2-168.3179.13.9107.6N547R545-N547 PolarHBondContact O-N 3.42Å
546L22.9Very low24.2Very low131 Ų131126.8 Ų126.869%0.68674%0.74SS**  trans-65.5119.6165.3-71.2163.8000107.5T548L546-T548 VanDerWaalsContact C-N 3.31Å; L546-T548 PolarHBondContact O-N 3.41Å
547N20.5Very low24.3Very low156 Ų156128.4 Ų128.483%0.83475%0.749SS**  trans-67.690.4171.4-83.7-8000109.2R545R545-N547 PolarHBondContact O-N 3.42Å
548T22.2Very low24.2Very low113 Ų113129.6 Ų129.669%0.69377%0.765SS**  trans-88.596157.539.40000108L546 C550L546-T548 VanDerWaalsContact C-N 3.31Å; L546-T548 PolarHBondContact O-N 3.41Å; T548-C550 PolarHBondContact O-N 3.3Å; T548-C550 VanDerWaalsContact O-N 3.08Å
549T20.8Very low24.2Very low141 Ų141129.1 Ų129.187%0.86577%0.767SS**  trans-73.891.5165.110.90000108.5
550C22.6Very low24Very low114 Ų114130 Ų13077%0.7777%0.77SS**  trans-93.7102.3168.527.50000109.5T548T548-C550 PolarHBondContact O-N 3.3Å; T548-C550 VanDerWaalsContact O-N 3.08Å
551Q21.7Very low23.8Very low198 Ų198133.4 Ų133.493%0.92578%0.776SS**  trans-98.1118.7155-71.4-170.87.900107.5
552G25.9Very low23.6Very low76 Ų76134.2 Ų134.278%0.78477%0.77SS**  trans145.1114171.700000112.7
553K23.7Very low23.5Very low222 Ų222134.4 Ų134.497%0.96577%0.771SS**  trans-63.7136.6177.6-67.7170.7171.2178.30111.5
554G26.1Very low23.5Very low73 Ų73136.3 Ų136.375%0.75379%0.785SS**SBendtrans130.1111.5158.500000115.1
555S27.4Very low23.5Very low130 Ų130136.3 Ų136.391%0.90979%0.786SS**  trans52.3123.9164.7-134.10000119.7D557S555-D557 PolarHBondContact O-N 3.31Å
556A28.6Very low23.5Very low96 Ų96130.1 Ų130.179%0.79378%0.778SS**  trans-76109-174.300000112.2
557D27.1Very low23.4Very low154 Ų154131.1 Ų131.182%0.82478%0.783SS**  trans-158.285.4155.6-98.2-24.6000108.5S555S555-D557 PolarHBondContact O-N 3.31Å
558S26.2Very low23.6Very low124 Ų124129.3 Ų129.387%0.86778%0.779SS**  trans-100.567.4171.959.60000110
559V25.2Very low23.6Very low117 Ų117135.9 Ų135.971%0.70979%0.792SS**  trans-73.4117.9161.9175.80000107.5K561V559-K561 VanDerWaalsContact C-N 3.25Å; V559-K561 PolarHBondContact O-N 3.46Å
560I21.1Very low23.7Very low138 Ų138132.3 Ų132.371%0.70878%0.783SS**  trans-69.590.5168.1-61.6175.8000106.8I562I560-I562 PolarHBondContact O-N 3.1Å; I560-I562 VanDerWaalsContact O-N 3.1Å
561K20.5Very low23.7Very low180 Ų180136 Ų13678%0.78379%0.786SS**  trans-63.4106.1170.8-128.8174.1-175.11720107.8V559 S563V559-K561 VanDerWaalsContact C-N 3.25Å; V559-K561 PolarHBondContact O-N 3.46Å; K561-S563 PolarHBondContact O-N 3.13Å
562I22.4Very low23.7Very low133 Ų133135 Ų13568%0.68279%0.786SS**  trans-68.588.6157.4-58.7173.3000104.2I560 S564I560-I562 PolarHBondContact O-N 3.1Å; I560-I562 VanDerWaalsContact O-N 3.1Å; I562-S564 PolarHBondContact O-N 2.95Å
563S23Very low23.7Very low85 Ų85138.4 Ų138.459%0.59479%0.785SS**  trans-61108.1178.441.90000108.2K561 I565K561-S563 PolarHBondContact O-N 3.13Å; S563-I565 PolarHBondContact O-N 2.72Å
564S21.2Very low23.7Very low105 Ų105133.5 Ų133.573%0.73478%0.776SS**  trans-37.3113.9137.846.10000106.7I562 S566I562-S564 PolarHBondContact O-N 2.95Å; S564-S566 PolarHBondContact O-N 3.46Å
565I23.3Very low23.6Very low145 Ų145139.7 Ų139.774%0.74478%0.782SS**  trans-68.694.6-177.5-64.1172.2000106.2S563 L567S563-I565 PolarHBondContact O-N 2.72Å; I565-L567 PolarHBondContact O-N 3.36Å; I565-L567 VanDerWaalsContact O-N 3.15Å
566S21.1Very low23.3Very low101 Ų101138.5 Ų138.571%0.70677%0.774SS**  trans-53.5117.716452.40000107.3S564S564-S566 PolarHBondContact O-N 3.46Å
567L21.4Very low23.2Very low153 Ų153140 Ų14080%0.80178%0.775SS**  trans-49.6129.4175.2-72.898.7000109I565 R569I565-L567 PolarHBondContact O-N 3.36Å; I565-L567 VanDerWaalsContact O-N 3.15Å; L567-R569 PolarHBondContact O-N 3.03Å
568P23.8Very low23Very low117 Ų117139.4 Ų139.476%0.7678%0.777SS**  trans-63.9109.3173.523.9-28.5000107.9G570P568-G570 PolarHBondContact O-N 2.95Å
569R22.3Very low22.6Very low251 Ų251142.9 Ų142.995%0.94778%0.776SS**  trans-64.771.3160-85-179.8168.6165.2-3.2108.1L567 K571L567-R569 PolarHBondContact O-N 3.03Å; R569-K571 PolarHBondContact O-N 3.02Å
570G23.8Very low22.6Very low67 Ų67145.3 Ų145.369%0.69178%0.784SS**  trans-80.1103.9172.400000109.4P568 L572P568-G570 PolarHBondContact O-N 2.95Å; G570-L572 PolarHBondContact O-N 3.49Å
571K22.2Very low22.5Very low192 Ų192147.5 Ų147.584%0.83579%0.792SS**  trans-44123.1176.1-72.1169.5174175.60112.3R569 I573R569-K571 PolarHBondContact O-N 3.02Å; K571-I573 PolarHBondContact O-N 3.43Å; K571-I573 VanDerWaalsContact O-N 3.14Å
572L21.7Very low22.5Very low175 Ų175143.5 Ų143.592%0.91679%0.792SS**  trans-55.7109.5160-71.6155000108.6G570G570-L572 PolarHBondContact O-N 3.49Å
573I26Very low22.5Very low148 Ų148142.6 Ų142.676%0.75980%0.798SS**  trans-101.4115.8155.7-60.9177.3000105.8K571 K575K571-I573 PolarHBondContact O-N 3.43Å; K571-I573 VanDerWaalsContact O-N 3.14Å; I573-K575 PolarHBondContact O-N 3.32Å
574P24.1Very low22.5Very low119 Ų119144.8 Ų144.877%0.77381%0.808SS**  trans-75.9124-172.929.9-31.3000109.6
575K22.4Very low22.5Very low203 Ų203145.7 Ų145.788%0.88381%0.809SS**  trans-109.5123.8157.1-79.2-174.3175.51780108.4I573I573-K575 PolarHBondContact O-N 3.32Å
576S22.4Very low22.5Very low106 Ų106145.6 Ų145.674%0.74182%0.815SS**  trans-59.2160.3179.543.10000113
577P26.3Very low22.5Very low127 Ų127145.7 Ų145.783%0.82581%0.812SS**  trans-84.6130.9-158.932.8-31.6000111.6
578V23.7Very low22.6Very low141 Ų141144.6 Ų144.686%0.85581%0.811SS**  trans-96.5109.9164.61780000107.8
579K17.6Very low22.5Very low197 Ų197145.8 Ų145.886%0.85781%0.811SS**  trans-63.7130.7158.9-86176.4168.3179.90108.7
580L24Very low22.5Very low168 Ų168139.3 Ų139.388%0.8880%0.8SS**  trans-157.2153.5143.1-138.279.7000110.2
581E20.1Very low22.5Very low185 Ų185144.3 Ų144.386%0.86481%0.81SS**  trans-86.5165.9-149.2-71.1162.5156.100115.4
582A20.2Very low22.4Very low96 Ų96141.1 Ų141.179%0.79381%0.807SS**  trans-62.9140-177.500000113.5
583S22.7Very low22.6Very low114 Ų114141.3 Ų141.380%0.79781%0.808SS**  trans-143108.1151.2-73.20000108.9
584T22.2Very low22.3Very low131 Ų131139.5 Ų139.580%0.80481%0.808SS**  trans53.782.8150.236.70000119.3
585T20.9Very low22.3Very low123 Ų123143.7 Ų143.776%0.75581%0.814SS**  trans-11.1118.6140.148.90000117.7
586T22.9Very low22.2Very low143 Ų143144 Ų14488%0.87782%0.815SS**  trans-120.8103.1140.9-55.10000107.3T588T586-T588 PolarHBondContact O-N 3.14Å
587T21.4Very low22.3Very low103 Ų103144.6 Ų144.663%0.63282%0.819SS**  trans-67.4114.4-172.3-49.80000111.1N589T587-N589 PolarHBondContact O-N 3.39Å
588T23.4Very low22.7Very low130 Ų130143.8 Ų143.880%0.79881%0.814SS**  trans-75.2102.1161.445.70000108.3T586 T590T586-T588 PolarHBondContact O-N 3.14Å; T588-T590 PolarHBondContact O-N 3.15Å
589N22.3Very low22.7Very low142 Ų142146.5 Ų146.576%0.75982%0.818SS**  trans-62.2104.4176.5-71.8-20.5000110.8T587 L591T587-N589 PolarHBondContact O-N 3.39Å; N589-L591 PolarHBondContact O-N 3.25Å
590T22.9Very low23.2Very low116 Ų116140.3 Ų140.371%0.71281%0.809SS**  trans-70.1112.7158.337.50000108.9T588 V592T588-T590 PolarHBondContact O-N 3.15Å; T590-V592 PolarHBondContact O-N 3.36Å
591L22.1Very low23.5Very low171 Ų171137.3 Ų137.390%0.89581%0.809SS**  trans-68.2105.2174.5-81.5155.1000110N589N589-L591 PolarHBondContact O-N 3.25Å
592V21.4Very low23.8Very low126 Ų126134.7 Ų134.776%0.76481%0.805SS**  trans-86116.7164.11730000107.2T590 S594T590-V592 PolarHBondContact O-N 3.36Å; V592-S594 PolarHBondContact O-N 3.34Å
593L25.3Very low24.3Very low179 Ų179135.5 Ų135.594%0.93780%0.8SS**  trans-72.3109.5171-150.979.9000108.2K595L593-K595 PolarHBondContact O-N 2.9Å
594S19.6Very low24.5Very low110 Ų110132.7 Ų132.777%0.76979%0.789SS**  trans-73.4110.4179.1170.90000111.2V592V592-S594 PolarHBondContact O-N 3.34Å
595K24.1Very low24.6Very low207 Ų207136.8 Ų136.890%0.979%0.79SS**  trans-151.5126.8139.1-96.4-179-173.5179.60108.4L593L593-K595 PolarHBondContact O-N 2.9Å
596K20Very low24.9Very low209 Ų209135.8 Ų135.891%0.90978%0.784SS**  trans-59.7129.6-171.4-71.7169.5168.4176.20114.5
597S24.5Very low25.5Very low118 Ų118133.8 Ų133.883%0.82577%0.771SS**  160.9158.512270.90000110.8
598P35.8Very low25.9Very low110 Ų110135.3 Ų135.371%0.71477%0.773SS**  trans-112.9171.6-137.243.1-36.1000116.6
599E23Very low26.6Very low199 Ų199132.8 Ų132.893%0.9375%0.754SS**  trans82.7104162.2-63.3178-176.900118.8
600G28.1Very low27.7Very low66 Ų66130 Ų13068%0.6874%0.739SS**  trans159.177.3170.400000112.9V602G600-V602 PolarHBondContact O-N 3.21Å
601A30.3Very low29.3Very low105 Ų105126.1 Ų126.187%0.86872%0.722SS**  trans-7381-173.500000113.9
602V27.1Very low31.1Very low131 Ų131122 Ų12279%0.79470%0.704SS**  trans-141.317.1165.6-164.70000114.1G600G600-V602 PolarHBondContact O-N 3.21Å
603T31.1Very low33Very low112 Ų112116.3 Ų116.369%0.68767%0.669SS**  trans-104.99.1-170.349.80000117.2V607T603-V607 WeakPolarHBondContact O-CG2 3.31Å
604G25.1Very low35.2Very low55 Ų55109 Ų10957%0.56763%0.632SS**Hα-helixtrans-80.7-37.1-177.800000116.4
605R26.2Very low38Very low218 Ų218109.1 Ų109.182%0.82362%0.616SS**Hα-helixtrans-81.5-40.2-173.7-83.1-176.4-175.3164.52.6113.6V607 M608 L609R605-V607 VanDerWaalsContact C-N 3.33Å; R605-V607 PolarHBondContact O-N 3.15Å; R605-M608 PolarHBondContact O-N 3.44Å; R605-L609 PolarHBondContact O-N 3.26Å
606T26Very low40.4Very low102 Ų102100.9 Ų100.963%0.62658%0.584SS**Hα-helixtrans-64.6-36.9-177.4-46.10000112.1L609 L610T606-L609 PolarHBondContact O-N 3.27Å; T606-L610 WeakPolarHBondContact O-CB 3.42Å; T606-L610 PolarHBondContact O-N 3.21Å
607V35.6Very low43.4Very low101 Ų10191.1 Ų91.161%0.61254%0.542SS*.Hα-helixtrans-67.9-42179.3179.10000111.7T603 R605 G611T603-V607 WeakPolarHBondContact O-CG2 3.31Å; R605-V607 VanDerWaalsContact C-N 3.33Å; R605-V607 PolarHBondContact O-N 3.15Å; V607-G611 PolarHBondContact O-N 3.33Å
608M30.9Very low46.4Very low135 Ų13585.5 Ų85.567%0.66550%0.503SS*.Hα-helixtrans-66-38.6177.5-70.5-73.3-77.100112.5R605 G611 T612R605-M608 PolarHBondContact O-N 3.44Å; M608-G611 PolarHBondContact O-N 3.44Å; M608-T612 PolarHBondContact O-N 3.13Å; M608-T612 PolarHBondContact O-OG1 2.81Å
609L37.5Very low48.7Very low77 Ų7781.2 Ų81.240%0.40348%0.475SS..Hα-helixtrans-68.5-45.3177.6-112.8139.9000111.7V379 R605 T606 G611 T612 V613V379-L609 HydrophobicContact CB-CD2 4.11Å; V379-L609 HydrophobicContact CG1-CD2 3.37Å; V379-L609 HydrophobicContact CG2-CD2 3.53Å; R605-L609 PolarHBondContact O-N 3.26Å; T606-L609 PolarHBondContact O-N 3.27Å; L609-G611 VanDerWaalsContact C-N 3.29Å; L609-G611 PolarHBondContact O-N 3.04Å; L609-T612 WeakPolarHBondContact CA-OG1 3.21Å; L609-T612 PolarHBondContact O-N 3.03Å; L609-T612 PolarHBondContact O-OG1 3.09Å; L609-V613 WeakPolarHBondContact O-CG2 3.5Å; L609-V613 PolarHBondContact O-N 3.25Å
610L44.7Very low51.7Low83 Ų8373.8 Ų73.844%0.43544%0.441SS..Hα-helixtrans-59.3-43.1174.4-170.664.8000110.7I382 T606 T612 V613 T614I382-L610 HydrophobicContact CD1-CD1 3.71Å; T606-L610 WeakPolarHBondContact O-CB 3.42Å; T606-L610 PolarHBondContact O-N 3.21Å; L610-T612 VanDerWaalsContact C-N 3.31Å; L610-T612 PolarHBondContact O-N 2.78Å; L610-V613 PolarHBondContact O-N 3.42Å; L610-T614 VanDerWaalsContact O-CG2 3.31Å; L610-T614 WeakPolarHBondContact O-CG2 3.38Å; L610-T614 PolarHBondContact O-N 2.96Å; L610-T614 PolarHBondContact O-OG1 3.39Å
611G57.7Low54.7Low34 Ų3470.7 Ų70.735%0.35141%0.409SS..Hα-helixtrans-64.3-26.1177.700000115.5V607 M608 L609 T614 R615V607-G611 PolarHBondContact O-N 3.33Å; M608-G611 PolarHBondContact O-N 3.44Å; L609-G611 VanDerWaalsContact C-N 3.29Å; L609-G611 PolarHBondContact O-N 3.04Å; G611-T614 WeakPolarHBondContact CA-OG1 3.39Å; G611-T614 PolarHBondContact O-OG1 3.42Å; G611-T614 VanDerWaalsContact O-OG1 3.08Å; G611-R615 WeakPolarHBondContact O-CB 3.46Å; G611-R615 PolarHBondContact O-N 3.4Å
612T59.1Low57.7Low85 Ų8565.7 Ų65.752%0.52137%0.367SS..Hα-helixtrans-81.3-39.2176.318.70000112M608 L609 L610 R615 S616M608-T612 PolarHBondContact O-N 3.13Å; M608-T612 PolarHBondContact O-OG1 2.81Å; L609-T612 WeakPolarHBondContact CA-OG1 3.21Å; L609-T612 PolarHBondContact O-N 3.03Å; L609-T612 PolarHBondContact O-OG1 3.09Å; L610-T612 VanDerWaalsContact C-N 3.31Å; L610-T612 PolarHBondContact O-N 2.78Å; T612-R615 PolarHBondContact O-N 3.33Å; T612-S616 PolarHBondContact O-N 2.67Å; T612-S616 VanDerWaalsContact O-N 3.08Å
613V61.8Low60.6Low7 Ų762.4 Ų62.44%0.04234%0.342CS..Hα-helixtrans-61.6-50.1174.5174.60000110.8I377 V379 L609 L610 R615 S616 I617I377-V613 HydrophobicContact CG2-CG1 3.85Å; I377-V613 HydrophobicContact CG2-CG2 4.3Å; V379-V613 HydrophobicContact CB-CG2 3.64Å; V379-V613 HydrophobicContact CG1-CG2 4.29Å; V379-V613 HydrophobicContact CG2-CG2 3.33Å; L609-V613 WeakPolarHBondContact O-CG2 3.5Å; L609-V613 PolarHBondContact O-N 3.25Å; L610-V613 PolarHBondContact O-N 3.42Å; V613-R615 VanDerWaalsContact C-N 3.28Å; V613-R615 PolarHBondContact O-N 3.18Å; V613-S616 PolarHBondContact O-N 3.34Å; V613-S616 VanDerWaalsContact O-N 3.14Å; V613-I617 HydrophobicContact CG1-CD1 3.68Å; V613-I617 WeakPolarHBondContact O-CG1 3.46Å; V613-I617 PolarHBondContact O-N 3.3Å; V613-I617 VanDerWaalsContact O-N 3.08Å
614T72.2Confident63.5Low25 Ų2557.7 Ų57.715%0.15331%0.312CS..Hα-helixtrans-58.1-42.5178.855.40000111.2Y468 L610 G611 S616 I617 M618Y468-T614 HydrophobicContact CD1-CG2 3.86Å; Y468-T614 HydrophobicContact CD2-CG2 4.03Å; Y468-T614 HydrophobicContact CE1-CG2 3.6Å; Y468-T614 HydrophobicContact CE2-CG2 3.77Å; Y468-T614 HydrophobicContact CG-CG2 4.08Å; L610-T614 VanDerWaalsContact O-CG2 3.31Å; L610-T614 WeakPolarHBondContact O-CG2 3.38Å; L610-T614 PolarHBondContact O-N 2.96Å; L610-T614 PolarHBondContact O-OG1 3.39Å; G611-T614 WeakPolarHBondContact CA-OG1 3.39Å; G611-T614 PolarHBondContact O-OG1 3.42Å; G611-T614 VanDerWaalsContact O-OG1 3.08Å; T614-S616 PolarHBondContact O-N 3.45Å; T614-I617 PolarHBondContact O-N 3.48Å; T614-M618 WeakPolarHBondContact O-CB 3.37Å; T614-M618 WeakPolarHBondContact O-CG 3.47Å; T614-M618 PolarHBondContact O-N 2.79Å
615R76.5Confident66.8Low113 Ų11355.2 Ų55.243%0.42629%0.286SS..Hα-helixtrans-60.4-43.3176.2-170.6179.4-67.8-80.3-0.7113.1F472 G611 T612 V613 T619F472-R615 HydrophobicContact CD2-CB 4.24Å; F472-R615 HydrophobicContact CD2-CG 3.88Å; F472-R615 HydrophobicContact CE2-CB 4.27Å; F472-R615 HydrophobicContact CE2-CG 3.61Å; G611-R615 WeakPolarHBondContact O-CB 3.46Å; G611-R615 PolarHBondContact O-N 3.4Å; T612-R615 PolarHBondContact O-N 3.33Å; V613-R615 VanDerWaalsContact C-N 3.28Å; V613-R615 PolarHBondContact O-N 3.18Å; R615-T619 WeakPolarHBondContact O-CB 3.24Å; R615-T619 PolarHBondContact O-N 2.77Å; R615-T619 PolarHBondContact O-OG1 2.95Å
616S75.4Confident70Confident34 Ų3445 Ų4524%0.23825%0.248CC..Hα-helixtrans-62.4-48.5178.8-175.80000111.1T612 V613 T614 T619 L620T612-S616 PolarHBondContact O-N 2.67Å; T612-S616 VanDerWaalsContact O-N 3.08Å; V613-S616 PolarHBondContact O-N 3.34Å; V613-S616 VanDerWaalsContact O-N 3.14Å; T614-S616 PolarHBondContact O-N 3.45Å; S616-T619 PolarHBondContact O-N 3.41Å; S616-L620 PolarHBondContact O-N 2.84Å
617I83.5Confident72.9Confident4 Ų443 Ų432%0.02123%0.231CC..Hα-helixtrans-65-45.7-178.9-66.8168.6000111.1V376 F422 K426 V613 T614 T619 L620 F621V376-I617 HydrophobicContact CG1-CG1 4.44Å; F422-I617 HydrophobicContact CE1-CG2 3.76Å; F422-I617 HydrophobicContact CZ-CG2 3.63Å; K426-I617 HydrophobicContact CD-CG2 4.17Å; V613-I617 HydrophobicContact CG1-CD1 3.68Å; V613-I617 WeakPolarHBondContact O-CG1 3.46Å; V613-I617 PolarHBondContact O-N 3.3Å; V613-I617 VanDerWaalsContact O-N 3.08Å; T614-I617 PolarHBondContact O-N 3.48Å; I617-T619 VanDerWaalsContact C-N 3.31Å; I617-T619 PolarHBondContact O-N 2.89Å; I617-L620 WeakPolarHBondContact O-CB 3.38Å; I617-L620 PolarHBondContact O-N 3.23Å; I617-F621 PolarHBondContact O-N 2.88Å
618M86.8Confident75.6Confident0 Ų038.6 Ų38.60%020%0.204CC..Hα-helixtrans-60.3-42.3176.7-72.8-65.7-74.800111.5F422 F465 Y468 K469 F472 T614 L620 F621 I622F422-M618 HydrophobicContact CE1-SD 4.46Å; F422-M618 HydrophobicContact CE2-SD 3.94Å; F422-M618 HydrophobicContact CZ-CG 4.43Å; F422-M618 HydrophobicContact CZ-SD 3.51Å; F422-M618 VanDerWaalsContact CZ-SD 3.51Å; F465-M618 HydrophobicContact CD2-CE 3.83Å; F465-M618 HydrophobicContact CD2-SD 3.87Å; F465-M618 HydrophobicContact CE2-CE 3.45Å; F465-M618 VanDerWaalsContact CE2-CE 3.45Å; F465-M618 HydrophobicContact CE2-SD 4.03Å; F465-M618 HydrophobicContact CZ-CE 4.02Å; Y468-M618 VanDerWaalsContact CB-SD 3.57Å; Y468-M618 HydrophobicContact CD2-CG 4.12Å; Y468-M618 HydrophobicContact CD2-SD 4.16Å; Y468-M618 HydrophobicContact CG-CG 4.47Å; Y468-M618 HydrophobicContact CG-SD 4.41Å; K469-M618 HydrophobicContact CB-CE 4.26Å; F472-M618 HydrophobicContact CD1-CB 3.76Å; F472-M618 HydrophobicContact CD1-CE 3.77Å; F472-M618 HydrophobicContact CD1-CG 4.17Å; F472-M618 HydrophobicContact CD2-CB 4.03Å; F472-M618 HydrophobicContact CE1-CB 3.54Å; F472-M618 HydrophobicContact CE1-CE 4.27Å; F472-M618 HydrophobicContact CE1-CG 4.43Å; F472-M618 HydrophobicContact CE2-CB 3.83Å; F472-M618 HydrophobicContact CG-CB 3.98Å; F472-M618 HydrophobicContact CG-CE 4.45Å; F472-M618 HydrophobicContact CG-CG 4.2Å; F472-M618 HydrophobicContact CZ-CB 3.57Å; T614-M618 WeakPolarHBondContact O-CB 3.37Å; T614-M618 WeakPolarHBondContact O-CG 3.47Å; T614-M618 PolarHBondContact O-N 2.79Å; M618-L620 VanDerWaalsContact C-N 3.33Å; M618-L620 PolarHBondContact O-N 2.95Å; M618-F621 PolarHBondContact O-N 3.02Å; M618-I622 WeakPolarHBondContact O-CB 3.45Å; M618-I622 VanDerWaalsContact O-CG1 3.3Å; M618-I622 WeakPolarHBondContact O-CG1 3.39Å; M618-I622 PolarHBondContact O-N 2.69Å
619T85.5Confident78.6Confident20 Ų2032.2 Ų32.212%0.12317%0.173CC..Hα-helixtrans-62.2-40.9176.2-55.70000111.5V480 R615 S616 I617 K623V480-T619 HydrophobicContact CG1-CG2 4.28Å; V480-T619 HydrophobicContact CG2-CG2 4.24Å; R615-T619 WeakPolarHBondContact O-CB 3.24Å; R615-T619 PolarHBondContact O-N 2.77Å; R615-T619 PolarHBondContact O-OG1 2.95Å; S616-T619 PolarHBondContact O-N 3.41Å; I617-T619 VanDerWaalsContact C-N 3.31Å; I617-T619 PolarHBondContact O-N 2.89Å; T619-K623 WeakPolarHBondContact O-CB 3.33Å; T619-K623 PolarHBondContact O-N 3.5Å
620L85Confident81.1Confident43 Ų4328.6 Ų28.623%0.22515%0.154CC..Hα-helixtrans-65.1-43.9176.618064.6000112F425 S616 I617 M618 K623 K624F425-L620 HydrophobicContact CE2-CD2 4.38Å; F425-L620 HydrophobicContact CE2-CG 4.37Å; S616-L620 PolarHBondContact O-N 2.84Å; I617-L620 WeakPolarHBondContact O-CB 3.38Å; I617-L620 PolarHBondContact O-N 3.23Å; M618-L620 VanDerWaalsContact C-N 3.33Å; M618-L620 PolarHBondContact O-N 2.95Å; L620-K623 WeakPolarHBondContact O-CB 3.48Å; L620-K623 PolarHBondContact O-N 2.83Å; L620-K624 PolarHBondContact O-N 3.26Å
621F91.7Very high83.1Confident0 Ų026.1 Ų26.10%014%0.142CC..Hα-helixtrans-62.4-52.4178-179.8-98.8000111.2F422 F425 L454 A458 W459 F465 I617 M618 K623 K624 V625F422-F621 HydrophobicContact CD2-CD1 4.37Å; F422-F621 AromaticContact CD2-CD2 3.79Å; F422-F621 HydrophobicContact CD2-CD2 3.79Å; F422-F621 HydrophobicContact CD2-CE2 4.02Å; F422-F621 AromaticContact CD2-CG 3.99Å; F422-F621 HydrophobicContact CD2-CG 3.99Å; F422-F621 HydrophobicContact CD2-CZ 4.42Å; F422-F621 HydrophobicContact CE2-CB 3.74Å; F422-F621 AromaticContact CE2-CD1 3.95Å; F422-F621 HydrophobicContact CE2-CD1 3.95Å; F422-F621 AromaticContact CE2-CD2 3.83Å; F422-F621 HydrophobicContact CE2-CD2 3.83Å; F422-F621 HydrophobicContact CE2-CE2 4.43Å; F422-F621 AromaticContact CE2-CG 3.56Å; F422-F621 HydrophobicContact CE2-CG 3.56Å; F422-F621 HydrophobicContact CZ-CB 4.49Å; F425-F621 AromaticContact CD1-CD2 3.97Å; F425-F621 HydrophobicContact CD1-CD2 3.97Å; F425-F621 HydrophobicContact CE1-CB 4.12Å; F425-F621 AromaticContact CE1-CD2 3.56Å; F425-F621 HydrophobicContact CE1-CD2 3.56Å; F425-F621 HydrophobicContact CE1-CE2 4.49Å; F425-F621 HydrophobicContact CE1-CG 4.28Å; F425-F621 HydrophobicContact CE2-CD2 4.41Å; F425-F621 HydrophobicContact CZ-CB 3.75Å; F425-F621 AromaticContact CZ-CD2 3.82Å; F425-F621 HydrophobicContact CZ-CD2 3.82Å; F425-F621 HydrophobicContact CZ-CG 4.29Å; L454-F621 HydrophobicContact CD2-CD2 3.78Å; L454-F621 HydrophobicContact CD2-CE2 3.67Å; L454-F621 HydrophobicContact CD2-CZ 4.39Å; A458-F621 HydrophobicContact CB-CE2 3.52Å; A458-F621 HydrophobicContact CB-CZ 3.43Å; A458-F621 VanDerWaalsContact CB-CZ 3.43Å; W459-F621 AromaticContact CH2-CE1 3.7Å; W459-F621 HydrophobicContact CH2-CE1 3.7Å; W459-F621 HydrophobicContact CH2-CZ 4.4Å; W459-F621 AromaticContact CZ2-CE1 3.64Å; W459-F621 HydrophobicContact CZ2-CE1 3.64Å; W459-F621 AromaticContact CZ2-CZ 3.93Å; W459-F621 HydrophobicContact CZ2-CZ 3.93Å; W459-F621 HydrophobicContact CZ3-CE1 4.33Å; F465-F621 AromaticContact CD2-CD1 3.82Å; F465-F621 HydrophobicContact CD2-CD1 3.82Å; F465-F621 AromaticContact CD2-CE1 3.69Å; F465-F621 HydrophobicContact CD2-CE1 3.69Å; F465-F621 HydrophobicContact CD2-CZ 4.49Å; F465-F621 AromaticContact CE2-CD1 3.7Å; F465-F621 HydrophobicContact CE2-CD1 3.7Å; F465-F621 AromaticContact CE2-CE1 3.64Å; F465-F621 HydrophobicContact CE2-CE1 3.64Å; I617-F621 PolarHBondContact O-N 2.88Å; M618-F621 PolarHBondContact O-N 3.02Å; F621-K623 VanDerWaalsContact C-N 3.27Å; F621-K623 PolarHBondContact O-N 2.8Å; F621-K624 PolarHBondContact O-N 3.11Å; F621-V625 HydrophobicContact CD1-CG2 4.05Å; F621-V625 HydrophobicContact CE1-CG2 3.69Å; F621-V625 HydrophobicContact CZ-CG2 3.94Å; F621-V625 WeakPolarHBondContact O-CG2 3.5Å; F621-V625 PolarHBondContact O-N 3.38Å
622I92.9Very high84.8Confident0 Ų024.9 Ų24.90%013%0.127CC..Hα-helixtrans-60.2-36.5179-66.3-62.8000111.7F465 I474 V480 M618 K624 V625 Y626 V658F465-I622 HydrophobicContact CE2-CD1 4.26Å; F465-I622 HydrophobicContact CZ-CD1 4.49Å; I474-I622 HydrophobicContact CD1-CD1 4.4Å; I474-I622 HydrophobicContact CG1-CD1 4.41Å; I474-I622 HydrophobicContact CG2-CD1 4.02Å; I474-I622 HydrophobicContact CG2-CG1 4.13Å; I474-I622 HydrophobicContact CG2-CG2 4Å; V480-I622 HydrophobicContact CG2-CG2 4.46Å; M618-I622 WeakPolarHBondContact O-CB 3.45Å; M618-I622 VanDerWaalsContact O-CG1 3.3Å; M618-I622 WeakPolarHBondContact O-CG1 3.39Å; M618-I622 PolarHBondContact O-N 2.69Å; I622-K624 VanDerWaalsContact C-N 3.32Å; I622-K624 PolarHBondContact O-N 3.4Å; I622-V625 PolarHBondContact O-N 2.83Å; I622-Y626 HydrophobicContact CG2-CD2 3.71Å; I622-Y626 HydrophobicContact CG2-CE2 3.33Å; I622-Y626 WeakPolarHBondContact O-CD2 3.38Å; I622-Y626 PolarHBondContact O-N 3.14Å; I622-V658 HydrophobicContact CD1-CG1 4.31Å
623K87.8Confident86.4Confident62 Ų6221 Ų2127%0.2710%0.103SC..Hα-helixtrans-54.7-48.1171.7-171.5179.6-179.3-175.40112.4V480 I484 T619 L620 F621 Y626 H627V480-K623 HydrophobicContact CG1-CB 3.32Å; V480-K623 HydrophobicContact CG1-CD 4.03Å; V480-K623 HydrophobicContact CG1-CG 3.53Å; I484-K623 HydrophobicContact CD1-CD 3.57Å; I484-K623 VanDerWaalsContact CD1-NZ 3.34Å; T619-K623 WeakPolarHBondContact O-CB 3.33Å; T619-K623 PolarHBondContact O-N 3.5Å; L620-K623 WeakPolarHBondContact O-CB 3.48Å; L620-K623 PolarHBondContact O-N 2.83Å; F621-K623 VanDerWaalsContact C-N 3.27Å; F621-K623 PolarHBondContact O-N 2.8Å; K623-Y626 PolarHBondContact O-N 3.08Å; K623-H627 PolarHBondContact O-N 3.12Å
624K91.2Very high87.7Confident14 Ų1421.4 Ų21.46%0.06111%0.105CC..Hα-helixtrans-70.8-36.4-176.6-72.8176.4177.7-82.10110.8F425 E429 E450 L454 L620 F621 I622 H627 L628F425-K624 HydrophobicContact CD2-CD 4.04Å; F425-K624 HydrophobicContact CE2-CD 3.84Å; E429-K624 IonicContact OE2-NZ 2.67Å; E429-K624 PolarHBondContact OE2-NZ 3.24Å; E450-K624 VanDerWaalsContact OE1-CD 3.29Å; E450-K624 WeakPolarHBondContact OE1-CD 3.14Å; E450-K624 VanDerWaalsContact OE1-CE 3.26Å; E450-K624 WeakPolarHBondContact OE1-CE 3.14Å; E450-K624 IonicContact OE1-NZ 2.76Å; E450-K624 PolarHBondContact OE1-NZ 2.97Å; L454-K624 HydrophobicContact CD1-CB 3.72Å; L454-K624 HydrophobicContact CD2-CB 3.63Å; L454-K624 HydrophobicContact CG-CB 4.35Å; L620-K624 PolarHBondContact O-N 3.26Å; F621-K624 PolarHBondContact O-N 3.11Å; I622-K624 VanDerWaalsContact C-N 3.32Å; I622-K624 PolarHBondContact O-N 3.4Å; K624-H627 PolarHBondContact O-N 2.93Å; K624-L628 WeakPolarHBondContact O-CB 3.46Å; K624-L628 PolarHBondContact O-N 3.34Å
625V94.7Very high88.5Confident2 Ų223 Ų231%0.01211%0.108CC..Hα-helixtrans-59.6-49.1170.61750000111L454 W459 F621 I622 H627 L628 A629L454-V625 HydrophobicContact CD2-CG2 4.12Å; W459-V625 HydrophobicContact CH2-CG2 4.4Å; W459-V625 HydrophobicContact CZ2-CG1 4.1Å; W459-V625 HydrophobicContact CZ2-CG2 3.74Å; F621-V625 HydrophobicContact CD1-CG2 4.05Å; F621-V625 HydrophobicContact CE1-CG2 3.69Å; F621-V625 HydrophobicContact CZ-CG2 3.94Å; F621-V625 WeakPolarHBondContact O-CG2 3.5Å; F621-V625 PolarHBondContact O-N 3.38Å; I622-V625 PolarHBondContact O-N 2.83Å; V625-H627 VanDerWaalsContact C-N 3.32Å; V625-H627 PolarHBondContact O-N 3.49Å; V625-L628 PolarHBondContact O-N 3.4Å; V625-A629 WeakPolarHBondContact O-CB 3.36Å; V625-A629 PolarHBondContact O-N 3.33Å
626Y93.1Very high89.3Confident4 Ų417.6 Ų17.62%0.0169%0.088CC..Hα-helixtrans-60.7-41.3176.1-75.5-40.9000112.5P475 A477 V480 I622 K623 A630 W651 F654 E655 V658P475-Y626 PolarHBondContact O-OH 3.45Å; A477-Y626 HydrophobicContact CB-CD1 4.28Å; A477-Y626 HydrophobicContact CB-CD2 3.71Å; A477-Y626 HydrophobicContact CB-CE1 4.43Å; A477-Y626 HydrophobicContact CB-CE2 3.84Å; A477-Y626 HydrophobicContact CB-CG 3.95Å; V480-Y626 HydrophobicContact CG2-CE2 4.47Å; I622-Y626 HydrophobicContact CG2-CD2 3.71Å; I622-Y626 HydrophobicContact CG2-CE2 3.33Å; I622-Y626 WeakPolarHBondContact O-CD2 3.38Å; I622-Y626 PolarHBondContact O-N 3.14Å; K623-Y626 PolarHBondContact O-N 3.08Å; Y626-A630 VanDerWaalsContact O-CB 3.23Å; Y626-A630 WeakPolarHBondContact O-CB 3.33Å; Y626-A630 PolarHBondContact O-N 3.2Å; Y626-W651 AromaticContact CD1-CH2 3.88Å; Y626-W651 HydrophobicContact CD1-CH2 3.88Å; Y626-W651 HydrophobicContact CD1-CZ2 4.15Å; Y626-W651 HydrophobicContact CG-CH2 4.27Å; Y626-W651 HydrophobicContact CG-CZ2 4.49Å; Y626-W651 WeakPolarHBondContact O-CH2 3.11Å; Y626-F654 HydrophobicContact CD1-CE1 4.37Å; Y626-E655 HydrophobicContact CE1-CB 4.27Å; Y626-E655 HydrophobicContact CE1-CG 3.83Å; Y626-V658 HydrophobicContact CE1-CB 3.96Å; Y626-V658 HydrophobicContact CE1-CG1 3.81Å; Y626-V658 HydrophobicContact CE1-CG2 4.16Å
627H88.3Confident90Very high60 Ų6016.1 Ų16.128%0.2788%0.078SC..Hα-helixtrans-62.3-49177.3-174.667.2000111.8K623 K624 V625 A629 A630 V631K623-H627 PolarHBondContact O-N 3.12Å; K624-H627 PolarHBondContact O-N 2.93Å; V625-H627 VanDerWaalsContact C-N 3.32Å; V625-H627 PolarHBondContact O-N 3.49Å; H627-A629 PolarHBondContact O-N 3.35Å; H627-A630 PolarHBondContact O-N 3Å; H627-V631 WeakPolarHBondContact O-CG2 3.32Å; H627-V631 PolarHBondContact O-N 3.43Å
628L92.1Very high90.3Very high9 Ų922.8 Ų22.85%0.04711%0.109CC..Hα-helixtrans-58.9-49.5178.7-176.357.8000111.2E451 L454 E455 K624 V625 A630 V631 R632E451-L628 HydrophobicContact CB-CD1 4.38Å; E451-L628 HydrophobicContact CB-CD2 4.36Å; E451-L628 HydrophobicContact CG-CD1 3.76Å; E451-L628 HydrophobicContact CG-CD2 4.47Å; L454-L628 HydrophobicContact CB-CD2 3.82Å; L454-L628 HydrophobicContact CD1-CD2 4.46Å; E455-L628 HydrophobicContact CB-CD2 4.21Å; K624-L628 WeakPolarHBondContact O-CB 3.46Å; K624-L628 PolarHBondContact O-N 3.34Å; V625-L628 PolarHBondContact O-N 3.4Å; L628-A630 VanDerWaalsContact C-N 3.35Å; L628-A630 PolarHBondContact O-N 2.96Å; L628-V631 PolarHBondContact O-N 3.4Å; L628-R632 WeakPolarHBondContact O-CG 3.45Å; L628-R632 PolarHBondContact O-N 2.94Å
629A93.5Very high90.5Very high1 Ų127.5 Ų27.51%0.00813%0.127CC..Hα-helixtrans-61.8-41.5178.700000112.2V625 H627 V631 R632 L633 W651 F654 I674V625-A629 WeakPolarHBondContact O-CB 3.36Å; V625-A629 PolarHBondContact O-N 3.33Å; H627-A629 PolarHBondContact O-N 3.35Å; A629-V631 PolarHBondContact O-N 3.08Å; A629-R632 PolarHBondContact O-N 2.9Å; A629-L633 WeakPolarHBondContact O-CB 3.35Å; A629-L633 PolarHBondContact O-N 3.47Å; A629-W651 HydrophobicContact CB-CZ3 4.25Å; A629-F654 HydrophobicContact CB-CD1 4.02Å; A629-F654 HydrophobicContact CB-CE1 3.28Å; A629-F654 HydrophobicContact CB-CE2 4.18Å; A629-F654 HydrophobicContact CB-CZ 3.38Å; A629-I674 HydrophobicContact CB-CD1 3.93Å
630A89.4Confident90.8Very high1 Ų128.4 Ų28.41%0.00813%0.129CC..Hα-helixtrans-61.7-44.1177.600000111.2Y626 H627 L628 N634 W651 I779 P780Y626-A630 VanDerWaalsContact O-CB 3.23Å; Y626-A630 WeakPolarHBondContact O-CB 3.33Å; Y626-A630 PolarHBondContact O-N 3.2Å; H627-A630 PolarHBondContact O-N 3Å; L628-A630 VanDerWaalsContact C-N 3.35Å; L628-A630 PolarHBondContact O-N 2.96Å; A630-N634 WeakPolarHBondContact O-CB 3.46Å; A630-N634 PolarHBondContact O-N 2.83Å; A630-N634 PolarHBondContact O-ND2 3.19Å; A630-W651 HydrophobicContact CB-CE3 4.37Å; A630-W651 HydrophobicContact CB-CH2 3.96Å; A630-W651 HydrophobicContact CB-CZ3 3.67Å; A630-I779 HydrophobicContact CB-CG2 4.3Å; A630-P780 HydrophobicContact CB-CG 4.38Å
631V88.2Confident91Very high31 Ų3137 Ų3719%0.18816%0.158CC..Hα-helixtrans-60.7-49.3176.7172.30000110.9H498 H627 L628 A629 N634 Y635 L782H498-V631 WeakPolarHBondContact NE2-CG1 3.48Å; H627-V631 WeakPolarHBondContact O-CG2 3.32Å; H627-V631 PolarHBondContact O-N 3.43Å; L628-V631 PolarHBondContact O-N 3.4Å; A629-V631 PolarHBondContact O-N 3.08Å; V631-N634 PolarHBondContact O-N 3.05Å; V631-Y635 PolarHBondContact O-N 3.46Å; V631-Y635 VanDerWaalsContact O-N 3.11Å; V631-L782 HydrophobicContact CG2-CD2 3.92Å
632R91.9Very high90.8Very high7 Ų738 Ų383%0.02617%0.166CC..Hα-helixtrans-64.2-42.5-177.7-68.6-177.7-177.8-173.4-4.4112.2E451 E455 L628 A629 Y635 L636 D671 I674 Q703 Q705E451-R632 IonicContact OE2-NH2 2.94Å; E451-R632 PolarHBondContact OE2-NH2 2.7Å; E455-R632 IonicContact OE2-CZ 2.64Å; E455-R632 IonicContact OE2-NH1 2.7Å; E455-R632 PolarHBondContact OE2-NH1 3.25Å; E455-R632 IonicContact OE2-NH2 3.35Å; E455-R632 PolarHBondContact OE2-NH2 3.01Å; L628-R632 WeakPolarHBondContact O-CG 3.45Å; L628-R632 PolarHBondContact O-N 2.94Å; A629-R632 PolarHBondContact O-N 2.9Å; R632-Y635 PolarHBondContact O-N 2.82Å; R632-L636 WeakPolarHBondContact O-CB 3.4Å; R632-L636 PolarHBondContact O-N 3.01Å; R632-D671 WeakPolarHBondContact CD-OD1 3.48Å; R632-D671 IonicContact CZ-OD1 2.71Å; R632-D671 IonicContact CZ-OD2 3.09Å; R632-D671 IonicContact NE-OD1 3.69Å; R632-D671 VanDerWaalsContact NH1-CG 3.26Å; R632-D671 IonicContact NH1-OD1 2.67Å; R632-D671 PolarHBondContact NH1-OD1 3.34Å; R632-D671 IonicContact NH1-OD2 3.65Å; R632-D671 PolarHBondContact NH1-OD2 2.98Å; R632-I674 HydrophobicContact CB-CD1 3.99Å; R632-Q703 PolarHBondContact O-NE2 3.34Å; R632-Q703 VanDerWaalsContact O-NE2 3.11Å; R632-Q705 VanDerWaalsContact CD-NE2 3.34Å; R632-Q705 VanDerWaalsContact NE-NE2 3.14Å
633L92.5Very high90.5Very high4 Ų439.9 Ų39.92%0.02118%0.18CC..Hα-helixtrans-63.9-47.3176.3178.561.1000111.4A629 Y635 L636 C637 T650 W651 I674A629-L633 WeakPolarHBondContact O-CB 3.35Å; A629-L633 PolarHBondContact O-N 3.47Å; L633-Y635 VanDerWaalsContact C-N 3.31Å; L633-Y635 PolarHBondContact O-N 3Å; L633-L636 PolarHBondContact O-N 3.22Å; L633-C637 VanDerWaalsContact CD1-SG 3.51Å; L633-C637 WeakPolarHBondContact O-CB 3.2Å; L633-C637 PolarHBondContact O-N 3.41Å; L633-C637 PolarHBondContact O-SG 2.95Å; L633-C637 VanDerWaalsContact O-SG 3.34Å; L633-T650 HydrophobicContact CD1-CG2 3.45Å; L633-T650 VanDerWaalsContact CD1-CG2 3.45Å; L633-T650 HydrophobicContact CD2-CG2 4.1Å; L633-T650 HydrophobicContact CG-CG2 4.43Å; L633-W651 HydrophobicContact CD2-CB 3.94Å; L633-W651 HydrophobicContact CD2-CE3 4.06Å; L633-I674 HydrophobicContact CB-CG2 4.4Å; L633-I674 HydrophobicContact CD1-CG2 4.31Å
634N89.9Confident90.4Very high15 Ų1541.9 Ų41.98%0.0819%0.19CC..Hα-helixtrans-56.7-46.7178.6-85.1-72.7000111.4A630 V631 L636 C637 E638 K647 L782A630-N634 WeakPolarHBondContact O-CB 3.46Å; A630-N634 PolarHBondContact O-N 2.83Å; A630-N634 PolarHBondContact O-ND2 3.19Å; V631-N634 PolarHBondContact O-N 3.05Å; N634-L636 PolarHBondContact O-N 3.46Å; N634-C637 PolarHBondContact O-N 3.43Å; N634-E638 WeakPolarHBondContact O-CB 3.19Å; N634-E638 WeakPolarHBondContact O-CG 3.49Å; N634-E638 PolarHBondContact O-N 2.76Å; N634-K647 WeakPolarHBondContact OD1-CE 3.46Å; N634-K647 PolarHBondContact OD1-NZ 2.88Å; N634-L782 HydrophobicContact CB-CD1 4.06Å; N634-L782 WeakPolarHBondContact ND2-CD1 3.3Å
635Y89.1Confident90.1Very high58 Ų5845 Ų4523%0.22721%0.212CC..Hα-helixtrans-63.8-41.7178.5-175.5-100.4000113.1V631 R632 L633 R639 F702 Q703V631-Y635 PolarHBondContact O-N 3.46Å; V631-Y635 VanDerWaalsContact O-N 3.11Å; R632-Y635 PolarHBondContact O-N 2.82Å; L633-Y635 VanDerWaalsContact C-N 3.31Å; L633-Y635 PolarHBondContact O-N 3Å; Y635-R639 PolarHBondContact O-N 3.43Å; Y635-R639 PolarHBondContact OH-NH1 3.18Å; Y635-R639 PolarHBondContact OH-NH2 2.58Å; Y635-F702 PolarHBondContact OH-O 3.04Å; Y635-Q703 HydrophobicContact CD1-CG 3.4Å; Y635-Q703 VanDerWaalsContact CD1-CG 3.4Å; Y635-Q703 HydrophobicContact CE1-CB 4.27Å; Y635-Q703 HydrophobicContact CE1-CG 3.41Å; Y635-Q703 VanDerWaalsContact CE1-CG 3.41Å
636L92.6Very high89.8Confident1 Ų145 Ų451%0.00521%0.212CC..Hα-helixtrans-65.5-46.4177.7-169.260.9000111R632 L633 N634 R639 F640 I674 I675 L678 I696 C699R632-L636 WeakPolarHBondContact O-CB 3.4Å; R632-L636 PolarHBondContact O-N 3.01Å; L633-L636 PolarHBondContact O-N 3.22Å; N634-L636 PolarHBondContact O-N 3.46Å; L636-R639 PolarHBondContact O-N 3.43Å; L636-F640 WeakPolarHBondContact O-CB 3.5Å; L636-F640 PolarHBondContact O-N 2.91Å; L636-I674 HydrophobicContact CD2-CG2 4.45Å; L636-I675 HydrophobicContact CD2-CG1 4.44Å; L636-L678 HydrophobicContact CD2-CD2 3.54Å; L636-L678 HydrophobicContact CG-CD2 3.64Å; L636-I696 HydrophobicContact CD1-CG2 4.34Å; L636-I696 HydrophobicContact CD2-CG2 4.02Å; L636-I696 HydrophobicContact CG-CG2 4.48Å; L636-C699 HydrophobicContact CD1-CB 3.79Å
637C90.8Very high89.6Confident3 Ų346.1 Ų46.12%0.0222%0.217CC..Hα-helixtrans-62.2-42.7177.3-730000112.6L633 N634 R639 R641 A642 K647L633-C637 VanDerWaalsContact CD1-SG 3.51Å; L633-C637 WeakPolarHBondContact O-CB 3.2Å; L633-C637 PolarHBondContact O-N 3.41Å; L633-C637 PolarHBondContact O-SG 2.95Å; L633-C637 VanDerWaalsContact O-SG 3.34Å; N634-C637 PolarHBondContact O-N 3.43Å; C637-R639 VanDerWaalsContact C-N 3.32Å; C637-R639 PolarHBondContact O-N 3.03Å; C637-R641 WeakPolarHBondContact O-CA 3.41Å; C637-R641 PolarHBondContact O-N 3.37Å; C637-A642 HydrophobicContact CB-CB 3.89Å; C637-A642 PolarHBondContact O-N 3.07Å; C637-K647 HydrophobicContact CB-CB 4.37Å; C637-K647 HydrophobicContact CB-CD 4.23Å; C637-K647 HydrophobicContact CB-CG 4.16Å
638E89.2Confident89.6Confident143 Ų14346.5 Ų46.567%0.66822%0.221SC*.Hα-helixtrans-60.4-41.7177.8-80.1-179.1-175.700111.9N634 R641N634-E638 WeakPolarHBondContact O-CB 3.19Å; N634-E638 WeakPolarHBondContact O-CG 3.49Å; N634-E638 PolarHBondContact O-N 2.76Å; E638-R641 PolarHBondContact O-N 3.22Å
639R92Very high89.4Confident100 Ų10048.4 Ų48.438%0.37723%0.229SC..Hα-helixtrans-80-38.5-179.4-82.8172170.1-178.12.5114.1Y635 L636 C637 R641 C699 F702Y635-R639 PolarHBondContact O-N 3.43Å; Y635-R639 PolarHBondContact OH-NH1 3.18Å; Y635-R639 PolarHBondContact OH-NH2 2.58Å; L636-R639 PolarHBondContact O-N 3.43Å; C637-R639 VanDerWaalsContact C-N 3.32Å; C637-R639 PolarHBondContact O-N 3.03Å; R639-R641 PolarHBondContact O-N 2.82Å; R639-C699 HydrophobicContact CB-CB 4.24Å; R639-F702 PolarHBondContact NH1-O 3.26Å
640F91Very high89.4Confident38 Ų3848.4 Ų48.417%0.16723%0.229CC..Hα-helixtrans-67.2-15.9171.6-174.4-103000111.9L636 A642 T682 V691 D695 I696L636-F640 WeakPolarHBondContact O-CB 3.5Å; L636-F640 PolarHBondContact O-N 2.91Å; F640-A642 VanDerWaalsContact C-N 3.31Å; F640-A642 HydrophobicContact CD1-CB 4.08Å; F640-T682 HydrophobicContact CE1-CG2 3.68Å; F640-T682 HydrophobicContact CZ-CG2 4.28Å; F640-V691 HydrophobicContact CE2-CG1 3.95Å; F640-V691 HydrophobicContact CZ-CB 4.37Å; F640-V691 HydrophobicContact CZ-CG1 3.55Å; F640-V691 HydrophobicContact CZ-CG2 3.84Å; F640-D695 HydrophobicContact CE2-CB 4.09Å; F640-I696 HydrophobicContact CD2-CG1 4.11Å; F640-I696 HydrophobicContact CE2-CG1 3.82Å; F640-I696 HydrophobicContact CZ-CG1 4.32Å
641R90.1Very high89.5Confident224 Ų22448.4 Ų48.485%0.84523%0.229SC*.THydrogen-bonded Turntrans59.441.5-172.8-55-179.9174.7-178.8-1.7111.7C637 E638 R639C637-R641 WeakPolarHBondContact O-CA 3.41Å; C637-R641 PolarHBondContact O-N 3.37Å; E638-R641 PolarHBondContact O-N 3.22Å; R639-R641 PolarHBondContact O-N 2.82Å
642A87.7Confident89.6Confident20 Ų2047.6 Ų47.617%0.16523%0.225CC..  trans-62.2138.3173.100000109.9C637 F640 V646C637-A642 HydrophobicContact CB-CB 3.89Å; C637-A642 PolarHBondContact O-N 3.07Å; F640-A642 VanDerWaalsContact C-N 3.31Å; F640-A642 HydrophobicContact CD1-CB 4.08Å; A642-V646 HydrophobicContact CB-CG1 4.32Å
643S86.6Confident89.7Confident40 Ų4047.3 Ų47.328%0.2822%0.224SC..  trans-64.1151.317071.70000110.9P645 V646 K647S643-P645 VanDerWaalsContact C-CD 3.48Å; S643-P645 VanDerWaalsContact C-N 3.34Å; S643-V646 PolarHBondContact O-N 3.23Å; S643-V646 VanDerWaalsContact O-N 3.13Å; S643-V646 VanDerWaalsContact OG-CG2 3.28Å; S643-V646 WeakPolarHBondContact OG-CG2 3.49Å; S643-K647 PolarHBondContact O-N 2.93Å
644E84.3Confident89.8Confident104 Ų10447.3 Ų47.349%0.48622%0.224SC..Hα-helixtrans-57.2-39.1179.6-163.666.6-165.900113.4V646 K647 L648E644-V646 PolarHBondContact O-N 3.35Å; E644-K647 PolarHBondContact O-N 3.1Å; E644-K647 IonicContact OE1-NZ 3.4Å; E644-K647 PolarHBondContact OE1-NZ 2.85Å; E644-K647 IonicContact OE2-NZ 3.53Å; E644-L648 HydrophobicContact CG-CD1 4.37Å; E644-L648 WeakPolarHBondContact O-CG 3.38Å; E644-L648 PolarHBondContact O-N 3.06Å
645P85.3Confident90Very high80 Ų8047.3 Ų47.352%0.51922%0.224SC..Hα-helixtrans-58.6-45.5173.5-25.935.4000113.1S643 K647 L648 Q649S643-P645 VanDerWaalsContact C-CD 3.48Å; S643-P645 VanDerWaalsContact C-N 3.34Å; P645-K647 VanDerWaalsContact C-N 3.33Å; P645-K647 PolarHBondContact O-N 2.68Å; P645-L648 PolarHBondContact O-N 2.84Å; P645-Q649 WeakPolarHBondContact O-CB 2.73Å; P645-Q649 VanDerWaalsContact O-CG 3.25Å; P645-Q649 WeakPolarHBondContact O-CG 3.39Å; P645-Q649 PolarHBondContact O-N 2.83Å
646V88.6Confident90.1Very high3 Ų349.4 Ų49.42%0.01823%0.231CC..Hα-helixtrans-60.4-46.2177.6170.50000110.1A642 S643 E644 L648 Q649 T650 L678 T682 M687A642-V646 HydrophobicContact CB-CG1 4.32Å; S643-V646 PolarHBondContact O-N 3.23Å; S643-V646 VanDerWaalsContact O-N 3.13Å; S643-V646 VanDerWaalsContact OG-CG2 3.28Å; S643-V646 WeakPolarHBondContact OG-CG2 3.49Å; E644-V646 PolarHBondContact O-N 3.35Å; V646-L648 PolarHBondContact O-N 3.21Å; V646-Q649 WeakPolarHBondContact O-CB 3.28Å; V646-Q649 PolarHBondContact O-N 3.26Å; V646-T650 WeakPolarHBondContact O-CB 3.43Å; V646-T650 PolarHBondContact O-N 3.43Å; V646-T650 PolarHBondContact O-OG1 3.27Å; V646-L678 HydrophobicContact CG1-CD1 4.22Å; V646-T682 HydrophobicContact CG1-CG2 3.71Å; V646-M687 HydrophobicContact CG2-CE 4.32Å
647K88.4Confident90.3Very high26 Ų2649.4 Ų49.411%0.11323%0.231CC..Hα-helixtrans-59.4-43178.4175.8-172.7170.5-165.20112.7N634 C637 S643 E644 P645 T650 W651 I779N634-K647 WeakPolarHBondContact OD1-CE 3.46Å; N634-K647 PolarHBondContact OD1-NZ 2.88Å; C637-K647 HydrophobicContact CB-CB 4.37Å; C637-K647 HydrophobicContact CB-CD 4.23Å; C637-K647 HydrophobicContact CB-CG 4.16Å; S643-K647 PolarHBondContact O-N 2.93Å; E644-K647 PolarHBondContact O-N 3.1Å; E644-K647 IonicContact OE1-NZ 3.4Å; E644-K647 PolarHBondContact OE1-NZ 2.85Å; E644-K647 IonicContact OE2-NZ 3.53Å; P645-K647 VanDerWaalsContact C-N 3.33Å; P645-K647 PolarHBondContact O-N 2.68Å; K647-T650 PolarHBondContact O-N 3Å; K647-W651 PolarHBondContact O-N 3.26Å; K647-I779 HydrophobicContact CD-CD1 4.36Å; K647-I779 HydrophobicContact CG-CD1 3.99Å
648L88.7Confident90.5Very high69 Ų6949.2 Ų49.236%0.36123%0.23SC..Hα-helixtrans-67.2-40.1176.6-69.6172000111.8E644 P645 V646 W651 A652 I779E644-L648 HydrophobicContact CG-CD1 4.37Å; E644-L648 WeakPolarHBondContact O-CG 3.38Å; E644-L648 PolarHBondContact O-N 3.06Å; P645-L648 PolarHBondContact O-N 2.84Å; V646-L648 PolarHBondContact O-N 3.21Å; L648-W651 PolarHBondContact O-N 3.29Å; L648-A652 WeakPolarHBondContact O-CB 3.15Å; L648-A652 PolarHBondContact O-N 3.22Å; L648-I779 HydrophobicContact CD2-CD1 3.75Å; L648-I779 HydrophobicContact CD2-CG1 4.02Å
649Q88.6Confident90.6Very high49 Ų4945.4 Ų45.423%0.22921%0.213CC..Hα-helixtrans-63.6-43.6173.9-72.2169.8-25.600111.6P645 V646 W651 A652 L653 T681 M763P645-Q649 WeakPolarHBondContact O-CB 2.73Å; P645-Q649 VanDerWaalsContact O-CG 3.25Å; P645-Q649 WeakPolarHBondContact O-CG 3.39Å; P645-Q649 PolarHBondContact O-N 2.83Å; V646-Q649 WeakPolarHBondContact O-CB 3.28Å; V646-Q649 PolarHBondContact O-N 3.26Å; Q649-W651 VanDerWaalsContact C-N 3.28Å; Q649-W651 PolarHBondContact O-N 2.97Å; Q649-A652 PolarHBondContact O-N 2.99Å; Q649-L653 WeakPolarHBondContact O-CB 3.36Å; Q649-L653 PolarHBondContact O-N 3.43Å; Q649-T681 HydrophobicContact CB-CG2 4.07Å; Q649-M763 HydrophobicContact CB-SD 4.22Å; Q649-M763 HydrophobicContact CG-SD 4.36Å
650T91.6Very high90.6Very high1 Ų144 Ų441%0.00622%0.215CC..Hα-helixtrans-59.1-42.4176.1-51.20000110.7L633 V646 K647 F654 C677 L678 T681L633-T650 HydrophobicContact CD1-CG2 3.45Å; L633-T650 VanDerWaalsContact CD1-CG2 3.45Å; L633-T650 HydrophobicContact CD2-CG2 4.1Å; L633-T650 HydrophobicContact CG-CG2 4.43Å; V646-T650 WeakPolarHBondContact O-CB 3.43Å; V646-T650 PolarHBondContact O-N 3.43Å; V646-T650 PolarHBondContact O-OG1 3.27Å; K647-T650 PolarHBondContact O-N 3Å; T650-F654 WeakPolarHBondContact O-CB 3.23Å; T650-F654 PolarHBondContact O-N 2.86Å; T650-C677 HydrophobicContact CG2-CB 3.71Å; T650-L678 HydrophobicContact CG2-CB 4.04Å; T650-L678 HydrophobicContact CG2-CD1 4.46Å; T650-T681 PolarHBondContact OG1-OG1 3.33Å
651W93.1Very high90.7Very high1 Ų144.1 Ų44.10%0.00422%0.217CC..Hα-helixtrans-64.9-49176.5176.8-102.7000112.5A477 Y626 A629 A630 L633 K647 L648 Q649 L653 F654 E655 I779 P780A477-W651 HydrophobicContact CB-CZ2 3.82Å; Y626-W651 AromaticContact CD1-CH2 3.88Å; Y626-W651 HydrophobicContact CD1-CH2 3.88Å; Y626-W651 HydrophobicContact CD1-CZ2 4.15Å; Y626-W651 HydrophobicContact CG-CH2 4.27Å; Y626-W651 HydrophobicContact CG-CZ2 4.49Å; Y626-W651 WeakPolarHBondContact O-CH2 3.11Å; A629-W651 HydrophobicContact CB-CZ3 4.25Å; A630-W651 HydrophobicContact CB-CE3 4.37Å; A630-W651 HydrophobicContact CB-CH2 3.96Å; A630-W651 HydrophobicContact CB-CZ3 3.67Å; L633-W651 HydrophobicContact CD2-CB 3.94Å; L633-W651 HydrophobicContact CD2-CE3 4.06Å; K647-W651 PolarHBondContact O-N 3.26Å; L648-W651 PolarHBondContact O-N 3.29Å; Q649-W651 VanDerWaalsContact C-N 3.28Å; Q649-W651 PolarHBondContact O-N 2.97Å; W651-L653 VanDerWaalsContact C-N 3.27Å; W651-L653 PolarHBondContact O-N 2.82Å; W651-F654 HydrophobicContact CZ3-CD1 4.25Å; W651-F654 PolarHBondContact O-N 3.48Å; W651-F654 VanDerWaalsContact O-N 3.16Å; W651-E655 PolarHBondContact O-N 2.72Å; W651-I779 HydrophobicContact CB-CD1 4.14Å; W651-I779 HydrophobicContact CB-CG1 3.66Å; W651-I779 HydrophobicContact CD2-CG1 4.01Å; W651-I779 HydrophobicContact CG-CB 4.39Å; W651-I779 HydrophobicContact CG-CD1 4.43Å; W651-I779 HydrophobicContact CG-CG1 3.46Å; W651-I779 VanDerWaalsContact CG-CG1 3.46Å; W651-P780 HydrophobicContact CH2-CG 3.91Å; W651-P780 HydrophobicContact CZ2-CG 3.64Å
652A89.2Confident90.9Very high13 Ų1333.5 Ų33.511%0.10718%0.177CC..Hα-helixtrans-60.6-38.7-179.900000111.7L648 Q649 R656 M763L648-A652 WeakPolarHBondContact O-CB 3.15Å; L648-A652 PolarHBondContact O-N 3.22Å; Q649-A652 PolarHBondContact O-N 2.99Å; A652-R656 WeakPolarHBondContact O-CB 3.39Å; A652-R656 PolarHBondContact O-N 3.01Å; A652-M763 HydrophobicContact CB-CE 3.48Å; A652-M763 VanDerWaalsContact CB-CE 3.48Å
653L93.7Very high91.2Very high2 Ų235.4 Ų35.41%0.0118%0.182CC..Hα-helixtrans-65.8-46.4174.4178.163.6000111.4Q649 W651 E655 R656 I657 C677 L680 T681 I760 M763Q649-L653 WeakPolarHBondContact O-CB 3.36Å; Q649-L653 PolarHBondContact O-N 3.43Å; W651-L653 VanDerWaalsContact C-N 3.27Å; W651-L653 PolarHBondContact O-N 2.82Å; L653-E655 PolarHBondContact O-N 2.86Å; L653-R656 PolarHBondContact O-N 2.96Å; L653-I657 HydrophobicContact CD1-CD1 4.09Å; L653-I657 HydrophobicContact CD1-CG1 4.37Å; L653-I657 HydrophobicContact CG-CD1 3.93Å; L653-I657 VanDerWaalsContact O-CG1 3.28Å; L653-I657 WeakPolarHBondContact O-CG1 3.25Å; L653-I657 PolarHBondContact O-N 2.96Å; L653-C677 HydrophobicContact CD2-CB 4.06Å; L653-L680 HydrophobicContact CD2-CB 4.48Å; L653-L680 HydrophobicContact CD2-CD2 3.97Å; L653-L680 HydrophobicContact CD2-CG 4.48Å; L653-T681 HydrophobicContact CD2-CG2 4.01Å; L653-I760 HydrophobicContact CD1-CD1 4.39Å; L653-I760 HydrophobicContact CD2-CD1 4.15Å; L653-M763 HydrophobicContact CB-CE 4.42Å
654F96.2Very high91.6Very high3 Ų333.5 Ų33.51%0.01317%0.168CC..Hα-helixtrans-59.5-46177.1179.6-90000111.9Y626 A629 T650 W651 R656 I657 V658 F665 V670 I673 I674Y626-F654 HydrophobicContact CD1-CE1 4.37Å; A629-F654 HydrophobicContact CB-CD1 4.02Å; A629-F654 HydrophobicContact CB-CE1 3.28Å; A629-F654 HydrophobicContact CB-CE2 4.18Å; A629-F654 HydrophobicContact CB-CZ 3.38Å; T650-F654 WeakPolarHBondContact O-CB 3.23Å; T650-F654 PolarHBondContact O-N 2.86Å; W651-F654 HydrophobicContact CZ3-CD1 4.25Å; W651-F654 PolarHBondContact O-N 3.48Å; W651-F654 VanDerWaalsContact O-N 3.16Å; F654-R656 PolarHBondContact O-N 2.9Å; F654-I657 PolarHBondContact O-N 3.43Å; F654-V658 HydrophobicContact CD1-CG2 4.13Å; F654-V658 HydrophobicContact CE1-CG2 3.62Å; F654-V658 HydrophobicContact CZ-CG2 3.85Å; F654-V658 WeakPolarHBondContact O-CG2 3.45Å; F654-V658 PolarHBondContact O-N 3.38Å; F654-F665 HydrophobicContact CE2-CE1 4.18Å; F654-F665 AromaticContact CE2-CZ 3.97Å; F654-F665 HydrophobicContact CE2-CZ 3.97Å; F654-F665 HydrophobicContact CZ-CE1 4.33Å; F654-F665 HydrophobicContact CZ-CZ 4.08Å; F654-V670 HydrophobicContact CE2-CG1 4.13Å; F654-V670 HydrophobicContact CZ-CG1 4Å; F654-I673 HydrophobicContact CD2-CG2 3.82Å; F654-I673 HydrophobicContact CE2-CB 4.43Å; F654-I673 HydrophobicContact CE2-CG2 3.89Å; F654-I674 HydrophobicContact CD2-CG1 3.86Å; F654-I674 HydrophobicContact CE2-CD1 4.41Å; F654-I674 HydrophobicContact CE2-CG1 3.6Å; F654-I674 HydrophobicContact CZ-CG1 4.4Å
655E93.8Very high92.2Very high15 Ų1528.5 Ų28.57%0.0715%0.145CC..Hα-helixtrans-61.5-45.3177.8-172.7-161.5-129.900111.5A477 Y626 W651 L653 I657 V658 M659 S777A477-E655 WeakPolarHBondContact CA-OE1 3.37Å; A477-E655 HydrophobicContact CB-CG 4.33Å; A477-E655 WeakPolarHBondContact CB-OE1 3.21Å; A477-E655 PolarHBondContact N-OE1 3.04Å; Y626-E655 HydrophobicContact CE1-CB 4.27Å; Y626-E655 HydrophobicContact CE1-CG 3.83Å; W651-E655 PolarHBondContact O-N 2.72Å; L653-E655 PolarHBondContact O-N 2.86Å; E655-I657 VanDerWaalsContact C-N 3.33Å; E655-I657 PolarHBondContact O-N 3.31Å; E655-V658 PolarHBondContact O-N 3.06Å; E655-M659 HydrophobicContact CG-SD 4.1Å; E655-M659 WeakPolarHBondContact O-CG 3.27Å; E655-M659 PolarHBondContact O-N 3.49Å; E655-S777 VanDerWaalsContact CD-CB 3.47Å; E655-S777 WeakPolarHBondContact OE1-CB 3.46Å; E655-S777 PolarHBondContact OE1-OG 3.09Å; E655-S777 WeakPolarHBondContact OE2-CB 3.49Å; E655-S777 PolarHBondContact OE2-OG 2.96Å
656R91.5Very high92.7Very high103 Ų10327.7 Ų27.739%0.38913%0.134SC..Hα-helixtrans-55.6-49.1175.3-178.56160.8140.94.4111A652 L653 F654 V658 M659 T660 D759A652-R656 WeakPolarHBondContact O-CB 3.39Å; A652-R656 PolarHBondContact O-N 3.01Å; L653-R656 PolarHBondContact O-N 2.96Å; F654-R656 PolarHBondContact O-N 2.9Å; R656-V658 VanDerWaalsContact C-N 3.32Å; R656-V658 PolarHBondContact O-N 2.92Å; R656-M659 PolarHBondContact O-N 3.16Å; R656-T660 PolarHBondContact O-N 2.73Å; R656-T660 PolarHBondContact O-OG1 3.37Å; R656-D759 HydrophobicContact CG-CB 4.39Å
657I95.7Very high92.9Very high0 Ų029 Ų290%015%0.148CC..Hα-helixtrans-58.4-43.1178.2-70.5165.8000111.6L653 F654 E655 M659 H661 T662 I664 F665 I673 C677 F752 V756L653-I657 HydrophobicContact CD1-CD1 4.09Å; L653-I657 HydrophobicContact CD1-CG1 4.37Å; L653-I657 HydrophobicContact CG-CD1 3.93Å; L653-I657 VanDerWaalsContact O-CG1 3.28Å; L653-I657 WeakPolarHBondContact O-CG1 3.25Å; L653-I657 PolarHBondContact O-N 2.96Å; F654-I657 PolarHBondContact O-N 3.43Å; E655-I657 VanDerWaalsContact C-N 3.33Å; E655-I657 PolarHBondContact O-N 3.31Å; I657-M659 VanDerWaalsContact C-N 3.26Å; I657-M659 PolarHBondContact O-N 3.39Å; I657-H661 HydrophobicContact CG2-CB 4.3Å; I657-H661 CarbonylContact O-C 3.57Å; I657-H661 WeakPolarHBondContact O-CA 3.21Å; I657-H661 PolarHBondContact O-N 3.35Å; I657-T662 PolarHBondContact O-N 3.34Å; I657-T662 VanDerWaalsContact O-N 3.16Å; I657-I664 HydrophobicContact CG2-CG2 3.54Å; I657-F665 HydrophobicContact CG2-CE2 3.97Å; I657-F665 HydrophobicContact CG2-CZ 4.38Å; I657-I673 HydrophobicContact CD1-CG2 4.39Å; I657-I673 HydrophobicContact CG2-CG2 4.12Å; I657-C677 VanDerWaalsContact CD1-SG 3.52Å; I657-F752 HydrophobicContact CD1-CE2 3.78Å; I657-F752 HydrophobicContact CD1-CZ 3.78Å; I657-V756 HydrophobicContact CD1-CG1 3.86Å; I657-V756 HydrophobicContact CG1-CG1 3.79Å
658V94.8Very high93.3Very high0 Ų028 Ų280%014%0.143CC..Hα-helixtrans-60-38175.9170.20000111.5I474 I622 Y626 F654 E655 R656 T662 F665I474-V658 VanDerWaalsContact CD1-O 3.29Å; I474-V658 WeakPolarHBondContact CD1-O 3.5Å; I474-V658 HydrophobicContact CG2-CG1 3.88Å; I622-V658 HydrophobicContact CD1-CG1 4.31Å; Y626-V658 HydrophobicContact CE1-CB 3.96Å; Y626-V658 HydrophobicContact CE1-CG1 3.81Å; Y626-V658 HydrophobicContact CE1-CG2 4.16Å; F654-V658 HydrophobicContact CD1-CG2 4.13Å; F654-V658 HydrophobicContact CE1-CG2 3.62Å; F654-V658 HydrophobicContact CZ-CG2 3.85Å; F654-V658 WeakPolarHBondContact O-CG2 3.45Å; F654-V658 PolarHBondContact O-N 3.38Å; E655-V658 PolarHBondContact O-N 3.06Å; R656-V658 VanDerWaalsContact C-N 3.32Å; R656-V658 PolarHBondContact O-N 2.92Å; V658-T662 PolarHBondContact O-OG1 3.24Å; V658-F665 HydrophobicContact CB-CE2 4.44Å; V658-F665 HydrophobicContact CG2-CE2 3.71Å; V658-F665 HydrophobicContact CG2-CZ 3.6Å
659M92.8Very high93.7Very high63 Ų6325.2 Ų25.231%0.3113%0.128SC..Hα-helixtrans-79.5-44.9-177.8-67.7172.571.600114.2I474 E655 R656 I657I474-M659 HydrophobicContact CG2-CG 4.33Å; E655-M659 HydrophobicContact CG-SD 4.1Å; E655-M659 WeakPolarHBondContact O-CG 3.27Å; E655-M659 PolarHBondContact O-N 3.49Å; R656-M659 PolarHBondContact O-N 3.16Å; I657-M659 VanDerWaalsContact C-N 3.26Å; I657-M659 PolarHBondContact O-N 3.39Å
660T90.4Very high94.1Very high70 Ų7023 Ų2343%0.42912%0.118SC..Hα-helixtrans-103.5-34.1-169.457.20000113R656R656-T660 PolarHBondContact O-N 2.73Å; R656-T660 PolarHBondContact O-OG1 3.37Å
661H93.9Very high94.4Very high41 Ų4123 Ų2319%0.1912%0.118CC..  trans-120.233.6-171.6-62.2-56.6000112.5I657 E663 I664 L755 D759I657-H661 HydrophobicContact CG2-CB 4.3Å; I657-H661 CarbonylContact O-C 3.57Å; I657-H661 WeakPolarHBondContact O-CA 3.21Å; I657-H661 PolarHBondContact O-N 3.35Å; H661-E663 PolarHBondContact O-N 3.18Å; H661-I664 WeakPolarHBondContact O-CB 3.38Å; H661-I664 WeakPolarHBondContact O-CG2 3.16Å; H661-I664 PolarHBondContact O-N 3.35Å; H661-L755 HydrophobicContact CB-CD2 3.86Å; H661-L755 HydrophobicContact CB-CG 4.27Å; H661-L755 PolarHBondContact NE2-O 2.95Å; H661-D759 IonicContact CD2-OD2 2.94Å; H661-D759 PolarHBondContact CD2-OD2 2.9Å; H661-D759 VanDerWaalsContact CD2-OD2 3.25Å; H661-D759 IonicContact CE1-OD2 2.84Å; H661-D759 IonicContact NE2-OD2 3.32Å; H661-D759 PolarHBondContact NE2-OD2 3.29Å
662T94.5Very high94.7Very high1 Ų123.5 Ų23.51%0.00612%0.12CC..G310 helixtrans-54.9-28.4-173.7-31.90000113.6W459 F465 W466 I474 I657 V658 I664 F665W459-T662 HydrophobicContact CZ3-CG2 3.96Å; F465-T662 HydrophobicContact CE1-CG2 4.21Å; F465-T662 HydrophobicContact CZ-CG2 4.1Å; W466-T662 WeakPolarHBondContact CH2-O 3.34Å; W466-T662 HydrophobicContact CZ3-CG2 4.37Å; I474-T662 HydrophobicContact CD1-CG2 3.45Å; I474-T662 VanDerWaalsContact CD1-CG2 3.45Å; I474-T662 WeakPolarHBondContact CD1-OG1 3.39Å; I657-T662 PolarHBondContact O-N 3.34Å; I657-T662 VanDerWaalsContact O-N 3.16Å; V658-T662 PolarHBondContact O-OG1 3.24Å; T662-I664 PolarHBondContact O-N 3.26Å; T662-I664 VanDerWaalsContact O-N 3.09Å; T662-F665 HydrophobicContact CG2-CD2 4.36Å; T662-F665 WeakPolarHBondContact O-CB 3.22Å; T662-F665 WeakPolarHBondContact O-CD2 3.24Å; T662-F665 PolarHBondContact O-N 3.1Å
663E93.4Very high95.1Very high59 Ų5922.9 Ų22.928%0.27612%0.115SC..G310 helixtrans-58.8-21.4177.6-63.1-54.713200112.9W466 K469 H661 F665 K666 V719W466-E663 WeakPolarHBondContact CZ3-OE1 3.41Å; K469-E663 WeakPolarHBondContact CD-OE1 3.43Å; K469-E663 IonicContact NZ-OE1 3.62Å; K469-E663 PolarHBondContact NZ-OE1 3.03Å; H661-E663 PolarHBondContact O-N 3.18Å; E663-F665 PolarHBondContact O-N 2.83Å; E663-K666 WeakPolarHBondContact O-CB 3.43Å; E663-K666 PolarHBondContact O-N 3.3Å; E663-V719 HydrophobicContact CB-CG1 3.55Å; E663-V719 HydrophobicContact CG-CG1 4.46Å
664I95.8Very high95.3Very high0 Ų023 Ų230%012%0.116CC..G310 helixtrans-60.6-26.9174.3-158173.2000112.1I657 H661 T662 K666 R668 I673 F747 F752 L755I657-I664 HydrophobicContact CG2-CG2 3.54Å; H661-I664 WeakPolarHBondContact O-CB 3.38Å; H661-I664 WeakPolarHBondContact O-CG2 3.16Å; H661-I664 PolarHBondContact O-N 3.35Å; T662-I664 PolarHBondContact O-N 3.26Å; T662-I664 VanDerWaalsContact O-N 3.09Å; I664-K666 VanDerWaalsContact C-N 3.28Å; I664-K666 PolarHBondContact O-N 3.11Å; I664-R668 VanDerWaalsContact O-CD 3.24Å; I664-R668 WeakPolarHBondContact O-CD 3.31Å; I664-R668 PolarHBondContact O-NH1 2.79Å; I664-I673 HydrophobicContact CG2-CG1 4Å; I664-F747 HydrophobicContact CD1-CZ 3.83Å; I664-F747 HydrophobicContact CG1-CE2 4.34Å; I664-F747 HydrophobicContact CG1-CZ 3.88Å; I664-F752 HydrophobicContact CD1-CB 4.34Å; I664-F752 HydrophobicContact CD1-CD2 3.56Å; I664-F752 HydrophobicContact CD1-CE2 4.3Å; I664-F752 HydrophobicContact CD1-CG 4.32Å; I664-L755 HydrophobicContact CB-CD2 3.99Å; I664-L755 HydrophobicContact CD1-CD2 3.89Å; I664-L755 HydrophobicContact CG1-CD2 4.17Å
665F96.8Very high95.4Very high0 Ų022.9 Ų22.90%012%0.115CC..G310 helixtrans-75.2-14.8176.8-65.5-85.5000112.9W459 W466 F654 I657 V658 T662 E663 G667 R668 V670 I673W459-F665 HydrophobicContact CB-CB 4.45Å; W459-F665 WeakPolarHBondContact CB-O 3.32Å; W459-F665 HydrophobicContact CD2-CB 3.75Å; W459-F665 HydrophobicContact CD2-CG 4.44Å; W459-F665 HydrophobicContact CE3-CB 3.6Å; W459-F665 HydrophobicContact CE3-CG 4.36Å; W459-F665 HydrophobicContact CG-CB 4.12Å; W459-F665 HydrophobicContact CZ3-CB 4.03Å; W459-F665 HydrophobicContact CZ3-CG 4.37Å; W466-F665 HydrophobicContact CH2-CB 4.47Å; F654-F665 HydrophobicContact CE2-CE1 4.18Å; F654-F665 AromaticContact CE2-CZ 3.97Å; F654-F665 HydrophobicContact CE2-CZ 3.97Å; F654-F665 HydrophobicContact CZ-CE1 4.33Å; F654-F665 HydrophobicContact CZ-CZ 4.08Å; I657-F665 HydrophobicContact CG2-CE2 3.97Å; I657-F665 HydrophobicContact CG2-CZ 4.38Å; V658-F665 HydrophobicContact CB-CE2 4.44Å; V658-F665 HydrophobicContact CG2-CE2 3.71Å; V658-F665 HydrophobicContact CG2-CZ 3.6Å; T662-F665 HydrophobicContact CG2-CD2 4.36Å; T662-F665 WeakPolarHBondContact O-CB 3.22Å; T662-F665 WeakPolarHBondContact O-CD2 3.24Å; T662-F665 PolarHBondContact O-N 3.1Å; E663-F665 PolarHBondContact O-N 2.83Å; F665-G667 PolarHBondContact O-N 3.32Å; F665-G667 VanDerWaalsContact O-N 3.09Å; F665-R668 PolarHBondContact O-N 2.93Å; F665-V670 HydrophobicContact CD1-CG2 3.82Å; F665-V670 HydrophobicContact CE1-CB 4.33Å; F665-V670 HydrophobicContact CE1-CG1 4.31Å; F665-V670 HydrophobicContact CE1-CG2 3.87Å; F665-I673 HydrophobicContact CD1-CD1 3.98Å; F665-I673 HydrophobicContact CD1-CG1 4.14Å; F665-I673 HydrophobicContact CE1-CB 3.99Å; F665-I673 HydrophobicContact CE1-CD1 4.08Å; F665-I673 HydrophobicContact CE1-CG1 3.82Å; F665-I673 HydrophobicContact CE1-CG2 4.17Å; F665-I673 HydrophobicContact CZ-CB 4.25Å; F665-I673 HydrophobicContact CZ-CG1 4.14Å; F665-I673 HydrophobicContact CZ-CG2 3.92Å
666K94.6Very high95.6Very high63 Ų6322.2 Ų22.227%0.27411%0.112SC..THydrogen-bonded Turntrans-58.5115.2-175.3-167.8178.9175.7-166.70111.6W459 E461 W466 E663 I664 R668W459-K666 WeakPolarHBondContact O-CA 3.23Å; E461-K666 WeakPolarHBondContact OE1-CE 3.34Å; E461-K666 IonicContact OE1-NZ 3.91Å; E461-K666 PolarHBondContact OE1-NZ 2.96Å; W466-K666 HydrophobicContact CH2-CB 3.92Å; W466-K666 VanDerWaalsContact CZ2-CA 3.45Å; W466-K666 HydrophobicContact CZ2-CB 3.61Å; W466-K666 HydrophobicContact CZ2-CG 3.96Å; E663-K666 WeakPolarHBondContact O-CB 3.43Å; E663-K666 PolarHBondContact O-N 3.3Å; I664-K666 VanDerWaalsContact C-N 3.28Å; I664-K666 PolarHBondContact O-N 3.11Å; K666-R668 PolarHBondContact O-N 2.8Å
667G93.8Very high95.8Very high30 Ų3017.3 Ų17.331%0.3099%0.093SC..THydrogen-bonded Turntrans63.317.2-175.900000114.7W459 F665W459-G667 PolarHBondContact O-N 3.4Å; F665-G667 PolarHBondContact O-N 3.32Å; F665-G667 VanDerWaalsContact O-N 3.09Å
668R96.4Very high95.8Very high6 Ų617.3 Ų17.32%0.0239%0.093CC..SBendtrans-119.6156.5-176.8-67.6-164.8-167.681.14.7111.5I664 F665 K666 I673 L715 D717 F747I664-R668 VanDerWaalsContact O-CD 3.24Å; I664-R668 WeakPolarHBondContact O-CD 3.31Å; I664-R668 PolarHBondContact O-NH1 2.79Å; F665-R668 PolarHBondContact O-N 2.93Å; K666-R668 PolarHBondContact O-N 2.8Å; R668-I673 HydrophobicContact CB-CD1 4.34Å; R668-L715 HydrophobicContact CG-CB 4.17Å; R668-L715 PolarHBondContact NE-O 3.19Å; R668-L715 PolarHBondContact NH2-O 3.49Å; R668-D717 PolarHBondContact NH2-O 3.26Å; R668-F747 VanDerWaalsContact NE-CE2 3.27Å
669H97.4Very high95.8Very high10 Ų1018.2 Ų18.25%0.04610%0.097CC..  trans-88.6133179.2-169.5-80.3000110.2E455 D671 Q672 I673 I710E455-H669 WeakPolarHBondContact CG-NE2 3.26Å; E455-H669 CarbonylContact O-C 3.53Å; E455-H669 WeakPolarHBondContact O-CA 3.21Å; E455-H669 IonicContact OE1-NE2 2.84Å; E455-H669 IonicContact OE2-CE1 4Å; E455-H669 PolarHBondContact OE2-CE1 3.12Å; E455-H669 IonicContact OE2-NE2 2.75Å; E455-H669 PolarHBondContact OE2-NE2 3.06Å; E455-H669 VanDerWaalsContact OE2-NE2 3.17Å; H669-D671 VanDerWaalsContact CE1-CG 3.45Å; H669-D671 IonicContact CE1-OD1 2.79Å; H669-D671 IonicContact CE1-OD2 3.63Å; H669-D671 PolarHBondContact CE1-OD2 3.25Å; H669-D671 WeakPolarHBondContact ND1-CB 3.44Å; H669-D671 PolarHBondContact ND1-N 3.47Å; H669-D671 VanDerWaalsContact ND1-N 3.11Å; H669-D671 PolarHBondContact O-N 3.32Å; H669-D671 VanDerWaalsContact O-N 3.08Å; H669-Q672 HydrophobicContact CB-CG 4.1Å; H669-Q672 VanDerWaalsContact O-CB 3.25Å; H669-Q672 WeakPolarHBondContact O-CB 3.44Å; H669-Q672 PolarHBondContact O-N 3.4Å; H669-I673 WeakPolarHBondContact O-CD1 3.4Å; H669-I710 HydrophobicContact CB-CG2 4.18Å
670V97.9Very high95.9Very high1 Ų115.2 Ų15.21%0.0068%0.083CC..Hα-helixtrans-53-37.1-177.7168.20000112.5E455 F654 F665 Q672 I673 I674E455-V670 HydrophobicContact CB-CB 4.36Å; E455-V670 WeakPolarHBondContact O-CG2 3.27Å; E455-V670 PolarHBondContact O-N 3.02Å; F654-V670 HydrophobicContact CE2-CG1 4.13Å; F654-V670 HydrophobicContact CZ-CG1 4Å; F665-V670 HydrophobicContact CD1-CG2 3.82Å; F665-V670 HydrophobicContact CE1-CB 4.33Å; F665-V670 HydrophobicContact CE1-CG1 4.31Å; F665-V670 HydrophobicContact CE1-CG2 3.87Å; V670-Q672 VanDerWaalsContact C-N 3.26Å; V670-Q672 PolarHBondContact O-N 3.45Å; V670-I673 WeakPolarHBondContact O-CB 3.34Å; V670-I673 PolarHBondContact O-N 3.01Å; V670-I673 VanDerWaalsContact O-N 3.09Å; V670-I674 HydrophobicContact CG1-CD1 3.9Å; V670-I674 HydrophobicContact CG1-CG1 4.25Å; V670-I674 PolarHBondContact O-N 3.42Å
671D97.9Very high95.9Very high3 Ų311.9 Ų11.92%0.0166%0.062CC..Hα-helixtrans-64.9-26.4179.4-65.6-1.4000113.7R632 H669 I673 I674 I675 Y700 Q705R632-D671 WeakPolarHBondContact CD-OD1 3.48Å; R632-D671 IonicContact CZ-OD1 2.71Å; R632-D671 IonicContact CZ-OD2 3.09Å; R632-D671 IonicContact NE-OD1 3.69Å; R632-D671 VanDerWaalsContact NH1-CG 3.26Å; R632-D671 IonicContact NH1-OD1 2.67Å; R632-D671 PolarHBondContact NH1-OD1 3.34Å; R632-D671 IonicContact NH1-OD2 3.65Å; R632-D671 PolarHBondContact NH1-OD2 2.98Å; H669-D671 VanDerWaalsContact CE1-CG 3.45Å; H669-D671 IonicContact CE1-OD1 2.79Å; H669-D671 IonicContact CE1-OD2 3.63Å; H669-D671 PolarHBondContact CE1-OD2 3.25Å; H669-D671 WeakPolarHBondContact ND1-CB 3.44Å; H669-D671 PolarHBondContact ND1-N 3.47Å; H669-D671 VanDerWaalsContact ND1-N 3.11Å; H669-D671 PolarHBondContact O-N 3.32Å; H669-D671 VanDerWaalsContact O-N 3.08Å; D671-I673 VanDerWaalsContact C-N 3.28Å; D671-I673 PolarHBondContact O-N 3.48Å; D671-I674 PolarHBondContact O-N 3.18Å; D671-I675 WeakPolarHBondContact O-CB 3.43Å; D671-I675 WeakPolarHBondContact O-CD1 3.45Å; D671-I675 WeakPolarHBondContact O-CG1 3.41Å; D671-I675 PolarHBondContact O-N 3.23Å; D671-Y700 HydrophobicContact CB-CE2 3.81Å; D671-Y700 WeakPolarHBondContact CB-OH 3.42Å; D671-Y700 WeakPolarHBondContact OD2-CE2 3.17Å; D671-Y700 PolarHBondContact OD2-OH 3.4Å; D671-Y700 VanDerWaalsContact OD2-OH 3.04Å; D671-Q705 PolarHBondContact OD2-NE2 3.47Å
672Q97.8Very high95.8Very high10 Ų1010.1 Ų10.15%0.0476%0.055CC..Hα-helixtrans-61.2-43.1173.5-64.1160.5-1000109.8H669 V670 C676 I710 V714H669-Q672 HydrophobicContact CB-CG 4.1Å; H669-Q672 VanDerWaalsContact O-CB 3.25Å; H669-Q672 WeakPolarHBondContact O-CB 3.44Å; H669-Q672 PolarHBondContact O-N 3.4Å; V670-Q672 VanDerWaalsContact C-N 3.26Å; V670-Q672 PolarHBondContact O-N 3.45Å; Q672-C676 WeakPolarHBondContact O-CB 3.42Å; Q672-C676 PolarHBondContact O-N 2.95Å; Q672-C676 VanDerWaalsContact O-N 3.08Å; Q672-C676 PolarHBondContact O-SG 3.06Å; Q672-I710 HydrophobicContact CG-CG2 4.15Å; Q672-I710 VanDerWaalsContact CG-O 3.3Å; Q672-I710 WeakPolarHBondContact CG-O 3.26Å; Q672-I710 PolarHBondContact NE2-O 2.94Å; Q672-V714 HydrophobicContact CG-CG1 4.41Å; Q672-V714 HydrophobicContact CG-CG2 4.17Å
673I98.2Very high95.5Very high0 Ų016.7 Ų16.70%08%0.083CC..Hα-helixtrans-68.5-45177.3-67.670.7000110.1F654 I657 I664 F665 R668 H669 V670 D671 I675 C676 C677 F752F654-I673 HydrophobicContact CD2-CG2 3.82Å; F654-I673 HydrophobicContact CE2-CB 4.43Å; F654-I673 HydrophobicContact CE2-CG2 3.89Å; I657-I673 HydrophobicContact CD1-CG2 4.39Å; I657-I673 HydrophobicContact CG2-CG2 4.12Å; I664-I673 HydrophobicContact CG2-CG1 4Å; F665-I673 HydrophobicContact CD1-CD1 3.98Å; F665-I673 HydrophobicContact CD1-CG1 4.14Å; F665-I673 HydrophobicContact CE1-CB 3.99Å; F665-I673 HydrophobicContact CE1-CD1 4.08Å; F665-I673 HydrophobicContact CE1-CG1 3.82Å; F665-I673 HydrophobicContact CE1-CG2 4.17Å; F665-I673 HydrophobicContact CZ-CB 4.25Å; F665-I673 HydrophobicContact CZ-CG1 4.14Å; F665-I673 HydrophobicContact CZ-CG2 3.92Å; R668-I673 HydrophobicContact CB-CD1 4.34Å; H669-I673 WeakPolarHBondContact O-CD1 3.4Å; V670-I673 WeakPolarHBondContact O-CB 3.34Å; V670-I673 PolarHBondContact O-N 3.01Å; V670-I673 VanDerWaalsContact O-N 3.09Å; D671-I673 VanDerWaalsContact C-N 3.28Å; D671-I673 PolarHBondContact O-N 3.48Å; I673-I675 VanDerWaalsContact C-N 3.34Å; I673-I675 PolarHBondContact O-N 3.05Å; I673-C676 PolarHBondContact O-N 3.33Å; I673-C677 PolarHBondContact O-N 2.92Å; I673-C677 PolarHBondContact O-SG 3Å; I673-F752 HydrophobicContact CG2-CE2 4.26Å
674I97.6Very high95.1Very high5 Ų516.7 Ų16.73%0.0269%0.087CC..Hα-helixtrans-58.6-45.5178.6-65174.2000111.3A629 R632 L633 L636 F654 V670 D671 C677 L678A629-I674 HydrophobicContact CB-CD1 3.93Å; R632-I674 HydrophobicContact CB-CD1 3.99Å; L633-I674 HydrophobicContact CB-CG2 4.4Å; L633-I674 HydrophobicContact CD1-CG2 4.31Å; L636-I674 HydrophobicContact CD2-CG2 4.45Å; F654-I674 HydrophobicContact CD2-CG1 3.86Å; F654-I674 HydrophobicContact CE2-CD1 4.41Å; F654-I674 HydrophobicContact CE2-CG1 3.6Å; F654-I674 HydrophobicContact CZ-CG1 4.4Å; V670-I674 HydrophobicContact CG1-CD1 3.9Å; V670-I674 HydrophobicContact CG1-CG1 4.25Å; V670-I674 PolarHBondContact O-N 3.42Å; D671-I674 PolarHBondContact O-N 3.18Å; I674-C677 PolarHBondContact O-N 3.4Å; I674-L678 PolarHBondContact O-N 3.21Å
675I98Very high94.3Very high1 Ų117.5 Ų17.51%0.0059%0.093CC..Hα-helixtrans-63.8-44.9179.1-68.3161.9000110.4L636 D671 I673 L678 F679 F693 I696 L697 Y700 I744L636-I675 HydrophobicContact CD2-CG1 4.44Å; D671-I675 WeakPolarHBondContact O-CB 3.43Å; D671-I675 WeakPolarHBondContact O-CD1 3.45Å; D671-I675 WeakPolarHBondContact O-CG1 3.41Å; D671-I675 PolarHBondContact O-N 3.23Å; I673-I675 VanDerWaalsContact C-N 3.34Å; I673-I675 PolarHBondContact O-N 3.05Å; I675-L678 PolarHBondContact O-N 3.41Å; I675-F679 WeakPolarHBondContact O-CB 3.3Å; I675-F679 PolarHBondContact O-N 3.05Å; I675-F693 HydrophobicContact CG2-CD1 4.11Å; I675-F693 HydrophobicContact CG2-CE1 4.13Å; I675-I696 HydrophobicContact CG2-CG2 3.96Å; I675-L697 HydrophobicContact CD1-CD2 4.05Å; I675-L697 HydrophobicContact CG2-CD2 4.42Å; I675-Y700 HydrophobicContact CD1-CD1 3.95Å; I675-Y700 HydrophobicContact CD1-CD2 3.93Å; I675-Y700 HydrophobicContact CD1-CE1 4.12Å; I675-Y700 HydrophobicContact CD1-CE2 4.12Å; I675-Y700 HydrophobicContact CD1-CG 3.85Å; I675-Y700 HydrophobicContact CG1-CD2 4.36Å; I675-Y700 HydrophobicContact CG1-CG 4.49Å; I675-I744 HydrophobicContact CB-CD1 3.82Å; I675-I744 HydrophobicContact CD1-CD1 4.11Å; I675-I744 HydrophobicContact CG2-CD1 3.58Å
676C97.9Very high92.8Very high0 Ų024.4 Ų24.40%014%0.135CC..Hα-helixtrans-63.3-40.6176.9-730000112.6Q672 I673 L678 F679 L680 Y748 F752Q672-C676 WeakPolarHBondContact O-CB 3.42Å; Q672-C676 PolarHBondContact O-N 2.95Å; Q672-C676 VanDerWaalsContact O-N 3.08Å; Q672-C676 PolarHBondContact O-SG 3.06Å; I673-C676 PolarHBondContact O-N 3.33Å; C676-L678 PolarHBondContact O-N 3.39Å; C676-F679 PolarHBondContact O-N 3.29Å; C676-L680 WeakPolarHBondContact O-CB 3.2Å; C676-L680 PolarHBondContact O-N 3.24Å; C676-Y748 HydrophobicContact CB-CD2 4.22Å; C676-F752 HydrophobicContact CB-CD1 3.78Å; C676-F752 HydrophobicContact CB-CD2 3.55Å; C676-F752 HydrophobicContact CB-CE1 3.7Å; C676-F752 HydrophobicContact CB-CE2 3.47Å; C676-F752 VanDerWaalsContact CB-CE2 3.47Å; C676-F752 HydrophobicContact CB-CG 3.72Å; C676-F752 HydrophobicContact CB-CZ 3.56Å
677C96.6Very high91.2Very high0 Ų025.6 Ų25.60%014%0.142CC..Hα-helixtrans-60.3-45.3174.4-69.40000111.8T650 L653 I657 I673 I674 T681T650-C677 HydrophobicContact CG2-CB 3.71Å; L653-C677 HydrophobicContact CD2-CB 4.06Å; I657-C677 VanDerWaalsContact CD1-SG 3.52Å; I673-C677 PolarHBondContact O-N 2.92Å; I673-C677 PolarHBondContact O-SG 3Å; I674-C677 PolarHBondContact O-N 3.4Å; C677-T681 WeakPolarHBondContact O-CB 3.35Å; C677-T681 WeakPolarHBondContact O-CG2 3.28Å; C677-T681 PolarHBondContact O-N 2.84Å; C677-T681 PolarHBondContact O-OG1 3.48Å
678L95.3Very high89.6Confident0 Ų036.5 Ų36.50%017%0.174CC..Hα-helixtrans-65.9-42.2179.1-178.660.3000111L636 V646 T650 I674 I675 C676 T681 T682 I696L636-L678 HydrophobicContact CD2-CD2 3.54Å; L636-L678 HydrophobicContact CG-CD2 3.64Å; V646-L678 HydrophobicContact CG1-CD1 4.22Å; T650-L678 HydrophobicContact CG2-CB 4.04Å; T650-L678 HydrophobicContact CG2-CD1 4.46Å; I674-L678 PolarHBondContact O-N 3.21Å; I675-L678 PolarHBondContact O-N 3.41Å; C676-L678 PolarHBondContact O-N 3.39Å; L678-T681 PolarHBondContact O-OG1 3.2Å; L678-T682 HydrophobicContact CD1-CG2 3.9Å; L678-T682 HydrophobicContact CG-CG2 4.34Å; L678-T682 WeakPolarHBondContact O-CB 3.41Å; L678-T682 WeakPolarHBondContact O-CG2 3.15Å; L678-T682 PolarHBondContact O-N 2.92Å; L678-T682 PolarHBondContact O-OG1 3.16Å; L678-I696 HydrophobicContact CB-CD1 4.46Å; L678-I696 HydrophobicContact CD2-CD1 4.4Å; L678-I696 HydrophobicContact CD2-CG1 4.4Å; L678-I696 HydrophobicContact CD2-CG2 4Å; L678-I696 HydrophobicContact CG-CD1 4.12Å
679F95.2Very high88.4Confident19 Ų1944 Ų448%0.08320%0.202CC..Hα-helixtrans-60.3-50176.1-178.4-101000111.9I675 C676 T681 T682 K683 V691 F693 I696 Y748I675-F679 WeakPolarHBondContact O-CB 3.3Å; I675-F679 PolarHBondContact O-N 3.05Å; C676-F679 PolarHBondContact O-N 3.29Å; F679-T681 PolarHBondContact O-N 2.92Å; F679-T682 PolarHBondContact O-N 2.82Å; F679-T682 PolarHBondContact O-OG1 2.98Å; F679-K683 HydrophobicContact CE1-CD 4.24Å; F679-K683 HydrophobicContact CZ-CD 4.47Å; F679-K683 WeakPolarHBondContact O-CB 3.28Å; F679-K683 PolarHBondContact O-N 2.92Å; F679-V691 WeakPolarHBondContact CE2-O 3.3Å; F679-F693 HydrophobicContact CB-CD1 4.4Å; F679-F693 HydrophobicContact CB-CE1 3.81Å; F679-F693 HydrophobicContact CB-CZ 3.96Å; F679-F693 HydrophobicContact CD1-CD2 4.36Å; F679-F693 HydrophobicContact CD1-CE1 4.14Å; F679-F693 AromaticContact CD1-CE2 3.56Å; F679-F693 HydrophobicContact CD1-CE2 3.56Å; F679-F693 AromaticContact CD1-CZ 3.42Å; F679-F693 HydrophobicContact CD1-CZ 3.42Å; F679-F693 VanDerWaalsContact CD1-CZ 3.42Å; F679-F693 HydrophobicContact CD2-CD1 4.25Å; F679-F693 HydrophobicContact CD2-CD2 4.07Å; F679-F693 HydrophobicContact CD2-CE1 4.25Å; F679-F693 HydrophobicContact CD2-CE2 4.07Å; F679-F693 HydrophobicContact CD2-CG 4.15Å; F679-F693 HydrophobicContact CD2-CZ 4.15Å; F679-F693 HydrophobicContact CE1-CD2 4.19Å; F679-F693 AromaticContact CE1-CE2 3.51Å; F679-F693 HydrophobicContact CE1-CE2 3.51Å; F679-F693 AromaticContact CE1-CZ 3.89Å; F679-F693 HydrophobicContact CE1-CZ 3.89Å; F679-F693 AromaticContact CE2-CD2 3.89Å; F679-F693 HydrophobicContact CE2-CD2 3.89Å; F679-F693 HydrophobicContact CE2-CE2 4.02Å; F679-F693 HydrophobicContact CE2-CG 4.31Å; F679-F693 HydrophobicContact CG-CD1 4.25Å; F679-F693 HydrophobicContact CG-CD2 4.29Å; F679-F693 AromaticContact CG-CE1 3.8Å; F679-F693 HydrophobicContact CG-CE1 3.8Å; F679-F693 AromaticContact CG-CE2 3.84Å; F679-F693 HydrophobicContact CG-CE2 3.84Å; F679-F693 HydrophobicContact CG-CG 4.47Å; F679-F693 AromaticContact CG-CZ 3.56Å; F679-F693 HydrophobicContact CG-CZ 3.56Å; F679-F693 AromaticContact CZ-CD2 3.95Å; F679-F693 HydrophobicContact CZ-CD2 3.95Å; F679-F693 AromaticContact CZ-CE2 3.75Å; F679-F693 HydrophobicContact CZ-CE2 3.75Å; F679-F693 HydrophobicContact CZ-CZ 4.43Å; F679-I696 HydrophobicContact CB-CD1 3.71Å; F679-I696 HydrophobicContact CD2-CD1 4.02Å; F679-I696 HydrophobicContact CG-CD1 4.38Å; F679-Y748 HydrophobicContact CD1-CD1 4.36Å; F679-Y748 AromaticContact CD1-CD2 4Å; F679-Y748 HydrophobicContact CD1-CD2 4Å; F679-Y748 HydrophobicContact CD1-CE1 4.04Å; F679-Y748 AromaticContact CD1-CE2 3.59Å; F679-Y748 HydrophobicContact CD1-CE2 3.59Å; F679-Y748 HydrophobicContact CD1-CG 4.36Å; F679-Y748 AromaticContact CD1-CZ 3.62Å; F679-Y748 HydrophobicContact CE1-CD1 4.11Å; F679-Y748 AromaticContact CE1-CE1 3.67Å; F679-Y748 HydrophobicContact CE1-CE1 3.67Å; F679-Y748 HydrophobicContact CE1-CE2 4.1Å; F679-Y748 AromaticContact CE1-CZ 3.64Å
680L93.9Very high87.5Confident1 Ų152.5 Ų52.51%0.00524%0.242CC..Hα-helixtrans-61.4-48180-179.355000112.1L653 C676 T682 K683 V684 Y748 F752 Y753 V756 I760L653-L680 HydrophobicContact CD2-CB 4.48Å; L653-L680 HydrophobicContact CD2-CD2 3.97Å; L653-L680 HydrophobicContact CD2-CG 4.48Å; C676-L680 WeakPolarHBondContact O-CB 3.2Å; C676-L680 PolarHBondContact O-N 3.24Å; L680-T682 PolarHBondContact O-N 2.67Å; L680-K683 PolarHBondContact O-N 2.71Å; L680-V684 HydrophobicContact CD1-CG2 3.89Å; L680-V684 WeakPolarHBondContact O-CG2 3.27Å; L680-V684 PolarHBondContact O-N 3.37Å; L680-Y748 HydrophobicContact CB-CE2 4.19Å; L680-Y748 WeakPolarHBondContact CD1-OH 3.42Å; L680-F752 HydrophobicContact CB-CE1 4.39Å; L680-F752 HydrophobicContact CD2-CE1 4.03Å; L680-Y753 HydrophobicContact CD1-CD2 4Å; L680-Y753 HydrophobicContact CD1-CE2 4.13Å; L680-V756 HydrophobicContact CD2-CG2 3.65Å; L680-I760 HydrophobicContact CD1-CG1 4.45Å; L680-I760 HydrophobicContact CD2-CB 4.13Å; L680-I760 HydrophobicContact CD2-CD1 4.22Å; L680-I760 HydrophobicContact CD2-CG1 3.99Å; L680-I760 HydrophobicContact CD2-CG2 4.32Å; L680-I760 HydrophobicContact CG-CD1 4.27Å; L680-I760 HydrophobicContact CG-CG1 4.06Å
681T91.7Very high87Confident0 Ų053.6 Ų53.60%025%0.249CC..Hα-helixtrans-67.4-36.7-177.949.20000112.7Q649 T650 L653 C677 L678 F679 S685 I760Q649-T681 HydrophobicContact CB-CG2 4.07Å; T650-T681 PolarHBondContact OG1-OG1 3.33Å; L653-T681 HydrophobicContact CD2-CG2 4.01Å; C677-T681 WeakPolarHBondContact O-CB 3.35Å; C677-T681 WeakPolarHBondContact O-CG2 3.28Å; C677-T681 PolarHBondContact O-N 2.84Å; C677-T681 PolarHBondContact O-OG1 3.48Å; L678-T681 PolarHBondContact O-OG1 3.2Å; F679-T681 PolarHBondContact O-N 2.92Å; T681-S685 WeakPolarHBondContact O-CB 3.46Å; T681-S685 PolarHBondContact O-N 3.43Å; T681-S685 PolarHBondContact O-OG 3.35Å; T681-S685 VanDerWaalsContact O-OG 3.09Å; T681-I760 HydrophobicContact CG2-CD1 4.38Å
682T90.8Very high86.7Confident4 Ų455.5 Ų55.53%0.02526%0.262CS..Hα-helixtrans-66.5-37.2172.754.80000112.4F640 V646 L678 F679 L680 S685F640-T682 HydrophobicContact CE1-CG2 3.68Å; F640-T682 HydrophobicContact CZ-CG2 4.28Å; V646-T682 HydrophobicContact CG1-CG2 3.71Å; L678-T682 HydrophobicContact CD1-CG2 3.9Å; L678-T682 HydrophobicContact CG-CG2 4.34Å; L678-T682 WeakPolarHBondContact O-CB 3.41Å; L678-T682 WeakPolarHBondContact O-CG2 3.15Å; L678-T682 PolarHBondContact O-N 2.92Å; L678-T682 PolarHBondContact O-OG1 3.16Å; F679-T682 PolarHBondContact O-N 2.82Å; F679-T682 PolarHBondContact O-OG1 2.98Å; L680-T682 PolarHBondContact O-N 2.67Å; T682-S685 PolarHBondContact O-OG 3.1Å
683K88.7Confident86.6Confident138 Ų13855.8 Ų55.860%0.626%0.263SS*.Hα-helixtrans-68.5-38.1177.9-173.2-179.4179.5-176.10113.2F679 L680F679-K683 HydrophobicContact CE1-CD 4.24Å; F679-K683 HydrophobicContact CZ-CD 4.47Å; F679-K683 WeakPolarHBondContact O-CB 3.28Å; F679-K683 PolarHBondContact O-N 2.92Å; L680-K683 PolarHBondContact O-N 2.71Å
684V85Confident86.4Confident60 Ų6065.1 Ų65.136%0.36430%0.298SS..Hα-helixtrans-84.2-34.9-179.5-179.90000112.1L680 I760 F764L680-V684 HydrophobicContact CD1-CG2 3.89Å; L680-V684 WeakPolarHBondContact O-CG2 3.27Å; L680-V684 PolarHBondContact O-N 3.37Å; V684-I760 HydrophobicContact CG2-CG1 4.28Å; V684-F764 HydrophobicContact CB-CD2 4.41Å; V684-F764 HydrophobicContact CB-CE2 3.94Å; V684-F764 HydrophobicContact CB-CZ 3.99Å; V684-F764 HydrophobicContact CG1-CD1 3.84Å; V684-F764 HydrophobicContact CG1-CD2 3.51Å; V684-F764 HydrophobicContact CG1-CE1 3.81Å; V684-F764 HydrophobicContact CG1-CE2 3.49Å; V684-F764 VanDerWaalsContact CG1-CE2 3.49Å; V684-F764 HydrophobicContact CG1-CG 3.69Å; V684-F764 HydrophobicContact CG1-CZ 3.64Å
685S79.5Confident86.2Confident17 Ų1766.6 Ų66.612%0.11931%0.306CS..THydrogen-bonded Turntrans-60141.317171.60000109.5T681 T682 M687T681-S685 WeakPolarHBondContact O-CB 3.46Å; T681-S685 PolarHBondContact O-N 3.43Å; T681-S685 PolarHBondContact O-OG 3.35Å; T681-S685 VanDerWaalsContact O-OG 3.09Å; T682-S685 PolarHBondContact O-OG 3.1Å; S685-M687 PolarHBondContact O-N 3.26Å; S685-M687 VanDerWaalsContact OG-CG 3.3Å; S685-M687 WeakPolarHBondContact OG-CG 3.39Å
686V64.8Low86Confident145 Ų14566.5 Ų66.588%0.87931%0.306SS*.THydrogen-bonded Turntrans-70.258.6176.8-170.40000110.2
687M61.4Low85.9Confident87 Ų8767.3 Ų67.343%0.42931%0.31SS..  trans-76.1121.7165.8-78-79.9133.500106.3V646 S685 R689V646-M687 HydrophobicContact CG2-CE 4.32Å; S685-M687 PolarHBondContact O-N 3.26Å; S685-M687 VanDerWaalsContact OG-CG 3.3Å; S685-M687 WeakPolarHBondContact OG-CG 3.39Å; M687-R689 PolarHBondContact O-N 3.48Å
688R60.7Low85.8Confident259 Ų25973.4 Ų73.498%0.97734%0.337SS*.SBendtrans-64.16.9176.2-66.1-176.7176.5163.3-1.4114
689R70.6Confident85.8Confident163 Ų16374 Ų7462%0.61534%0.341SS*.SBendtrans-123.6123.5-173.3-179.6177.6176.4-178.7-2.1108.5M687 V691 D695M687-R689 PolarHBondContact O-N 3.48Å; R689-V691 PolarHBondContact O-N 3.49Å; R689-D695 IonicContact NH2-OD1 3.81Å
690E78Confident85.8Confident189 Ų18973.2 Ų73.288%0.88334%0.337SS*.  trans-61.7116165.7-66.2-178171.900108.8
691V88.2Confident85.9Confident25 Ų2579.4 Ų79.415%0.15236%0.361CS..  trans-97.1128.7177177.30000108.1F640 F679 R689 I696F640-V691 HydrophobicContact CE2-CG1 3.95Å; F640-V691 HydrophobicContact CZ-CB 4.37Å; F640-V691 HydrophobicContact CZ-CG1 3.55Å; F640-V691 HydrophobicContact CZ-CG2 3.84Å; F679-V691 WeakPolarHBondContact CE2-O 3.3Å; R689-V691 PolarHBondContact O-N 3.49Å; V691-I696 HydrophobicContact CG1-CD1 4.09Å; V691-I696 HydrophobicContact CG1-CG1 4.09Å
692S91.8Very high85.9Confident43 Ų4384.9 Ų84.930%0.30139%0.385SS..  trans-102.9157.2173.170.30000111.1R694 D695S692-R694 PolarHBondContact O-N 2.91Å; S692-R694 VanDerWaalsContact O-N 3.15Å; S692-R694 PolarHBondContact OG-N 3.1Å; S692-D695 WeakPolarHBondContact CB-OD2 3.35Å; S692-D695 PolarHBondContact N-OD2 3.37Å; S692-D695 WeakPolarHBondContact O-CB 3.34Å; S692-D695 PolarHBondContact O-N 2.88Å; S692-D695 VanDerWaalsContact OG-CG 3.28Å; S692-D695 PolarHBondContact OG-N 3.43Å; S692-D695 PolarHBondContact OG-OD2 2.9Å
693F94.3Very high86Confident16 Ų1685.1 Ų85.17%0.0739%0.386CS..Hα-helixtrans-53.6-34169.4-86-73.9000111.9I675 F679 D695 I696 L697 I744 T745 Y748I675-F693 HydrophobicContact CG2-CD1 4.11Å; I675-F693 HydrophobicContact CG2-CE1 4.13Å; F679-F693 HydrophobicContact CB-CD1 4.4Å; F679-F693 HydrophobicContact CB-CE1 3.81Å; F679-F693 HydrophobicContact CB-CZ 3.96Å; F679-F693 HydrophobicContact CD1-CD2 4.36Å; F679-F693 HydrophobicContact CD1-CE1 4.14Å; F679-F693 AromaticContact CD1-CE2 3.56Å; F679-F693 HydrophobicContact CD1-CE2 3.56Å; F679-F693 AromaticContact CD1-CZ 3.42Å; F679-F693 HydrophobicContact CD1-CZ 3.42Å; F679-F693 VanDerWaalsContact CD1-CZ 3.42Å; F679-F693 HydrophobicContact CD2-CD1 4.25Å; F679-F693 HydrophobicContact CD2-CD2 4.07Å; F679-F693 HydrophobicContact CD2-CE1 4.25Å; F679-F693 HydrophobicContact CD2-CE2 4.07Å; F679-F693 HydrophobicContact CD2-CG 4.15Å; F679-F693 HydrophobicContact CD2-CZ 4.15Å; F679-F693 HydrophobicContact CE1-CD2 4.19Å; F679-F693 AromaticContact CE1-CE2 3.51Å; F679-F693 HydrophobicContact CE1-CE2 3.51Å; F679-F693 AromaticContact CE1-CZ 3.89Å; F679-F693 HydrophobicContact CE1-CZ 3.89Å; F679-F693 AromaticContact CE2-CD2 3.89Å; F679-F693 HydrophobicContact CE2-CD2 3.89Å; F679-F693 HydrophobicContact CE2-CE2 4.02Å; F679-F693 HydrophobicContact CE2-CG 4.31Å; F679-F693 HydrophobicContact CG-CD1 4.25Å; F679-F693 HydrophobicContact CG-CD2 4.29Å; F679-F693 AromaticContact CG-CE1 3.8Å; F679-F693 HydrophobicContact CG-CE1 3.8Å; F679-F693 AromaticContact CG-CE2 3.84Å; F679-F693 HydrophobicContact CG-CE2 3.84Å; F679-F693 HydrophobicContact CG-CG 4.47Å; F679-F693 AromaticContact CG-CZ 3.56Å; F679-F693 HydrophobicContact CG-CZ 3.56Å; F679-F693 AromaticContact CZ-CD2 3.95Å; F679-F693 HydrophobicContact CZ-CD2 3.95Å; F679-F693 AromaticContact CZ-CE2 3.75Å; F679-F693 HydrophobicContact CZ-CE2 3.75Å; F679-F693 HydrophobicContact CZ-CZ 4.43Å; F693-D695 VanDerWaalsContact C-N 3.27Å; F693-D695 PolarHBondContact O-N 3.43Å; F693-I696 PolarHBondContact O-N 3.49Å; F693-L697 HydrophobicContact CB-CD1 4.44Å; F693-L697 VanDerWaalsContact O-CB 3.3Å; F693-L697 WeakPolarHBondContact O-CB 3.47Å; F693-L697 WeakPolarHBondContact O-CG 3.29Å; F693-L697 PolarHBondContact O-N 3.42Å; F693-I744 HydrophobicContact CD1-CG2 4.12Å; F693-I744 HydrophobicContact CE1-CG1 4.3Å; F693-I744 HydrophobicContact CE1-CG2 4.45Å; F693-T745 HydrophobicContact CD2-CG2 4.07Å; F693-T745 HydrophobicContact CE2-CG2 4.23Å; F693-Y748 HydrophobicContact CE2-CD1 4.02Å; F693-Y748 HydrophobicContact CE2-CD2 4.5Å; F693-Y748 AromaticContact CE2-CG 3.89Å; F693-Y748 HydrophobicContact CE2-CG 3.89Å; F693-Y748 HydrophobicContact CZ-CD1 4.12Å; F693-Y748 AromaticContact CZ-CD2 3.82Å; F693-Y748 HydrophobicContact CZ-CD2 3.82Å; F693-Y748 AromaticContact CZ-CG 3.54Å; F693-Y748 HydrophobicContact CZ-CG 3.54Å
694R93.9Very high86Confident195 Ų19583.1 Ų83.174%0.73639%0.387SS*.Hα-helixtrans-58.5-37.9177.7-170.4-179.469.4-1790.6112.4S692 F698S692-R694 PolarHBondContact O-N 2.91Å; S692-R694 VanDerWaalsContact O-N 3.15Å; S692-R694 PolarHBondContact OG-N 3.1Å; R694-F698 WeakPolarHBondContact O-CB 3.46Å; R694-F698 PolarHBondContact O-N 2.96Å
695D93.6Very high86.2Confident36 Ų3681.3 Ų81.319%0.19337%0.374CS..Hα-helixtrans-68.7-41.2-179.8-58.9-56.1000111.7F640 R689 S692 F693 C699F640-D695 HydrophobicContact CE2-CB 4.09Å; R689-D695 IonicContact NH2-OD1 3.81Å; S692-D695 WeakPolarHBondContact CB-OD2 3.35Å; S692-D695 PolarHBondContact N-OD2 3.37Å; S692-D695 WeakPolarHBondContact O-CB 3.34Å; S692-D695 PolarHBondContact O-N 2.88Å; S692-D695 VanDerWaalsContact OG-CG 3.28Å; S692-D695 PolarHBondContact OG-N 3.43Å; S692-D695 PolarHBondContact OG-OD2 2.9Å; F693-D695 VanDerWaalsContact C-N 3.27Å; F693-D695 PolarHBondContact O-N 3.43Å; D695-C699 PolarHBondContact O-SG 2.93Å
696I95.1Very high86.8Confident0 Ų081.4 Ų81.40%038%0.376CS..Hα-helixtrans-70.9-45.4177.3-62173.5000110.3L636 F640 I675 L678 F679 V691 F693 F698 C699 Y700L636-I696 HydrophobicContact CD1-CG2 4.34Å; L636-I696 HydrophobicContact CD2-CG2 4.02Å; L636-I696 HydrophobicContact CG-CG2 4.48Å; F640-I696 HydrophobicContact CD2-CG1 4.11Å; F640-I696 HydrophobicContact CE2-CG1 3.82Å; F640-I696 HydrophobicContact CZ-CG1 4.32Å; I675-I696 HydrophobicContact CG2-CG2 3.96Å; L678-I696 HydrophobicContact CB-CD1 4.46Å; L678-I696 HydrophobicContact CD2-CD1 4.4Å; L678-I696 HydrophobicContact CD2-CG1 4.4Å; L678-I696 HydrophobicContact CD2-CG2 4Å; L678-I696 HydrophobicContact CG-CD1 4.12Å; F679-I696 HydrophobicContact CB-CD1 3.71Å; F679-I696 HydrophobicContact CD2-CD1 4.02Å; F679-I696 HydrophobicContact CG-CD1 4.38Å; V691-I696 HydrophobicContact CG1-CD1 4.09Å; V691-I696 HydrophobicContact CG1-CG1 4.09Å; F693-I696 PolarHBondContact O-N 3.49Å; I696-F698 VanDerWaalsContact C-N 3.27Å; I696-F698 PolarHBondContact O-N 3.37Å; I696-C699 WeakPolarHBondContact O-CB 3.26Å; I696-C699 PolarHBondContact O-N 3.05Å; I696-Y700 PolarHBondContact O-N 3.11Å
697L95.4Very high88.1Confident16 Ų1679.5 Ų79.58%0.08436%0.358CS..Hα-helixtrans-63.2-32.4179.4-69.6176.2000112.4I675 F693 C699 Y700 R701 Y711 I744I675-L697 HydrophobicContact CD1-CD2 4.05Å; I675-L697 HydrophobicContact CG2-CD2 4.42Å; F693-L697 HydrophobicContact CB-CD1 4.44Å; F693-L697 VanDerWaalsContact O-CB 3.3Å; F693-L697 WeakPolarHBondContact O-CB 3.47Å; F693-L697 WeakPolarHBondContact O-CG 3.29Å; F693-L697 PolarHBondContact O-N 3.42Å; L697-C699 VanDerWaalsContact C-N 3.29Å; L697-C699 PolarHBondContact O-N 2.97Å; L697-Y700 HydrophobicContact CD2-CD1 4.38Å; L697-Y700 PolarHBondContact O-N 3.15Å; L697-R701 WeakPolarHBondContact O-CG 3.19Å; L697-R701 PolarHBondContact O-N 2.9Å; L697-R701 VanDerWaalsContact O-N 3.16Å; L697-Y711 HydrophobicContact CD1-CD2 3.86Å; L697-Y711 HydrophobicContact CD1-CE2 4.23Å; L697-Y711 HydrophobicContact CD1-CG 4.16Å; L697-Y711 HydrophobicContact CD2-CD1 3.73Å; L697-Y711 HydrophobicContact CD2-CD2 4.22Å; L697-Y711 HydrophobicContact CD2-CE1 4.33Å; L697-Y711 HydrophobicContact CD2-CG 3.67Å; L697-I744 HydrophobicContact CD1-CG2 4.31Å
698F94.8Very high89.7Confident128 Ų12877.7 Ų77.756%0.56135%0.353SS*.Hα-helixtrans-58.8-42.1171.2178.8-96.8000111.7R694 I696 F702R694-F698 WeakPolarHBondContact O-CB 3.46Å; R694-F698 PolarHBondContact O-N 2.96Å; I696-F698 VanDerWaalsContact C-N 3.27Å; I696-F698 PolarHBondContact O-N 3.37Å; F698-F702 HydrophobicContact CE1-CE2 4.17Å; F698-F702 HydrophobicContact CZ-CE2 4.29Å; F698-F702 HydrophobicContact CZ-CZ 4.44Å; F698-F702 VanDerWaalsContact O-CD2 3.27Å; F698-F702 WeakPolarHBondContact O-CD2 3.36Å; F698-F702 VanDerWaalsContact O-CE2 3.26Å; F698-F702 WeakPolarHBondContact O-CE2 3.27Å
699C94.6Very high91.3Very high13 Ų1369.5 Ų69.59%0.08833%0.329CS..Hα-helixtrans-73.5-36.5177.4-59.50000112.3L636 R639 D695 I696 L697L636-C699 HydrophobicContact CD1-CB 3.79Å; R639-C699 HydrophobicContact CB-CB 4.24Å; D695-C699 PolarHBondContact O-SG 2.93Å; I696-C699 WeakPolarHBondContact O-CB 3.26Å; I696-C699 PolarHBondContact O-N 3.05Å; L697-C699 VanDerWaalsContact C-N 3.29Å; L697-C699 PolarHBondContact O-N 2.97Å
700Y96Very high92.4Very high2 Ų262.8 Ų62.81%0.00831%0.305CS..Hα-helixtrans-64.1-40.3-178.5174.9-110.7000113.4D671 I675 I696 L697 F702 Q703 A706 I710 Y711D671-Y700 HydrophobicContact CB-CE2 3.81Å; D671-Y700 WeakPolarHBondContact CB-OH 3.42Å; D671-Y700 WeakPolarHBondContact OD2-CE2 3.17Å; D671-Y700 PolarHBondContact OD2-OH 3.4Å; D671-Y700 VanDerWaalsContact OD2-OH 3.04Å; I675-Y700 HydrophobicContact CD1-CD1 3.95Å; I675-Y700 HydrophobicContact CD1-CD2 3.93Å; I675-Y700 HydrophobicContact CD1-CE1 4.12Å; I675-Y700 HydrophobicContact CD1-CE2 4.12Å; I675-Y700 HydrophobicContact CD1-CG 3.85Å; I675-Y700 HydrophobicContact CG1-CD2 4.36Å; I675-Y700 HydrophobicContact CG1-CG 4.49Å; I696-Y700 PolarHBondContact O-N 3.11Å; L697-Y700 HydrophobicContact CD2-CD1 4.38Å; L697-Y700 PolarHBondContact O-N 3.15Å; Y700-F702 PolarHBondContact O-N 3.37Å; Y700-Q703 HydrophobicContact CD2-CG 4.4Å; Y700-Q703 WeakPolarHBondContact O-CB 3.37Å; Y700-Q703 PolarHBondContact O-N 3.03Å; Y700-A706 HydrophobicContact CD1-CB 3.95Å; Y700-A706 HydrophobicContact CE1-CB 3.61Å; Y700-A706 HydrophobicContact CE2-CB 4.25Å; Y700-A706 HydrophobicContact CG-CB 4.41Å; Y700-A706 VanDerWaalsContact O-CB 3.25Å; Y700-A706 WeakPolarHBondContact O-CB 3.38Å; Y700-I710 WeakPolarHBondContact OH-CD1 3.31Å; Y700-Y711 HydrophobicContact CD1-CD1 4.25Å; Y700-Y711 HydrophobicContact CE1-CD1 4.21Å
701R95Very high93.3Very high132 Ų13254.6 Ų54.650%0.49827%0.266SS..THydrogen-bonded Turntrans-54.6-17.5-177.6-78.7176.3-175.6146.36.6115.8L697 Y711L697-R701 WeakPolarHBondContact O-CG 3.19Å; L697-R701 PolarHBondContact O-N 2.9Å; L697-R701 VanDerWaalsContact O-N 3.16Å; R701-Y711 PolarHBondContact NE-OH 2.81Å; R701-Y711 PolarHBondContact NH2-OH 3.42Å
702F92.7Very high93.7Very high114 Ų11460.8 Ų60.850%0.529%0.287SS..THydrogen-bonded Turntrans-93.14.3178.1-61.4-83.2000113.2Y635 R639 F698 Y700Y635-F702 PolarHBondContact OH-O 3.04Å; R639-F702 PolarHBondContact NH1-O 3.26Å; F698-F702 HydrophobicContact CE1-CE2 4.17Å; F698-F702 HydrophobicContact CZ-CE2 4.29Å; F698-F702 HydrophobicContact CZ-CZ 4.44Å; F698-F702 VanDerWaalsContact O-CD2 3.27Å; F698-F702 WeakPolarHBondContact O-CD2 3.36Å; F698-F702 VanDerWaalsContact O-CE2 3.26Å; F698-F702 WeakPolarHBondContact O-CE2 3.27Å; Y700-F702 PolarHBondContact O-N 3.37Å
703Q92.3Very high93.8Very high9 Ų964.5 Ų64.54%0.04230%0.3CS..SBendtrans-75.7141.9167.7-68.6-166.425.500109.6R632 Y635 Y700 Q705 A706R632-Q703 PolarHBondContact O-NE2 3.34Å; R632-Q703 VanDerWaalsContact O-NE2 3.11Å; Y635-Q703 HydrophobicContact CD1-CG 3.4Å; Y635-Q703 VanDerWaalsContact CD1-CG 3.4Å; Y635-Q703 HydrophobicContact CE1-CB 4.27Å; Y635-Q703 HydrophobicContact CE1-CG 3.41Å; Y635-Q703 VanDerWaalsContact CE1-CG 3.41Å; Y700-Q703 HydrophobicContact CD2-CG 4.4Å; Y700-Q703 WeakPolarHBondContact O-CB 3.37Å; Y700-Q703 PolarHBondContact O-N 3.03Å; Q703-Q705 PolarHBondContact O-N 2.76Å; Q703-A706 HydrophobicContact CB-CB 4.13Å; Q703-A706 VanDerWaalsContact O-CB 3.31Å; Q703-A706 WeakPolarHBondContact O-CB 3.41Å; Q703-A706 PolarHBondContact O-N 3.48Å
704P87.5Confident94Very high96 Ų9663.7 Ų63.762%0.62330%0.296SS*.THydrogen-bonded Turntrans-57.7-31.8-174.2-26.335.2000115.1
705Q89.8Confident94Very high22 Ų2254.7 Ų54.710%0.10326%0.263CS..THydrogen-bonded Turntrans-91.5-3.2179.577.7-72.90.400113.5R632 D671 Q703 H707 I710R632-Q705 VanDerWaalsContact CD-NE2 3.34Å; R632-Q705 VanDerWaalsContact NE-NE2 3.14Å; D671-Q705 PolarHBondContact OD2-NE2 3.47Å; Q703-Q705 PolarHBondContact O-N 2.76Å; Q705-H707 PolarHBondContact O-CD2 3.25Å; Q705-H707 PolarHBondContact O-N 3.27Å; Q705-H707 VanDerWaalsContact O-N 3.13Å; Q705-I710 WeakPolarHBondContact O-CD1 3.26Å
706A92.1Very high94.1Very high20 Ų2054.3 Ų54.317%0.16526%0.26CS..  trans-70.5113.1-173.700000111.7Y700 Q703Y700-A706 HydrophobicContact CD1-CB 3.95Å; Y700-A706 HydrophobicContact CE1-CB 3.61Å; Y700-A706 HydrophobicContact CE2-CB 4.25Å; Y700-A706 HydrophobicContact CG-CB 4.41Å; Y700-A706 VanDerWaalsContact O-CB 3.25Å; Y700-A706 WeakPolarHBondContact O-CB 3.38Å; Q703-A706 HydrophobicContact CB-CB 4.13Å; Q703-A706 VanDerWaalsContact O-CB 3.31Å; Q703-A706 WeakPolarHBondContact O-CB 3.41Å; Q703-A706 PolarHBondContact O-N 3.48Å
707H92.6Very high93.8Very high104 Ų10456.7 Ų56.748%0.48127%0.273SS..  trans-115.3152.3170.4-69-74.3000110.7Q705 D709 I710Q705-H707 PolarHBondContact O-CD2 3.25Å; Q705-H707 PolarHBondContact O-N 3.27Å; Q705-H707 VanDerWaalsContact O-N 3.13Å; H707-D709 PolarHBondContact O-N 3.05Å; H707-I710 HydrophobicContact CB-CD1 4.16Å; H707-I710 HydrophobicContact CB-CG1 4.24Å; H707-I710 PolarHBondContact O-N 2.83Å
708S93.7Very high93.2Very high49 Ų4960.7 Ų60.734%0.34330%0.3SS..SBendtrans-61.4-33.2-179.548.20000113I710 Y711 R712S708-I710 VanDerWaalsContact C-N 3.27Å; S708-I710 PolarHBondContact O-N 3.32Å; S708-Y711 PolarHBondContact O-N 3.47Å; S708-R712 WeakPolarHBondContact O-CB 3.42Å; S708-R712 VanDerWaalsContact O-CG 3.3Å; S708-R712 WeakPolarHBondContact O-CG 3.29Å; S708-R712 PolarHBondContact O-N 2.97Å
709D94.3Very high92.4Very high87 Ų8756.5 Ų56.547%0.46528%0.284SS..Hα-helixtrans-70.7-29.3-172.5-52.6-23.8000110.8H707 Y711 R712 Q713H707-D709 PolarHBondContact O-N 3.05Å; D709-Y711 PolarHBondContact O-N 3.12Å; D709-Y711 VanDerWaalsContact O-N 3.12Å; D709-R712 PolarHBondContact O-N 3.11Å; D709-R712 VanDerWaalsContact O-N 3.12Å; D709-Q713 PolarHBondContact O-N 3.38Å
710I95.6Very high91Very high23 Ų2360.9 Ų60.912%0.11831%0.311CS..Hα-helixtrans-54.8-36.4177.6-62.5174.6000112.2H669 Q672 Y700 Q705 H707 S708H669-I710 HydrophobicContact CB-CG2 4.18Å; Q672-I710 HydrophobicContact CG-CG2 4.15Å; Q672-I710 VanDerWaalsContact CG-O 3.3Å; Q672-I710 WeakPolarHBondContact CG-O 3.26Å; Q672-I710 PolarHBondContact NE2-O 2.94Å; Y700-I710 WeakPolarHBondContact OH-CD1 3.31Å; Q705-I710 WeakPolarHBondContact O-CD1 3.26Å; H707-I710 HydrophobicContact CB-CD1 4.16Å; H707-I710 HydrophobicContact CB-CG1 4.24Å; H707-I710 PolarHBondContact O-N 2.83Å; S708-I710 VanDerWaalsContact C-N 3.27Å; S708-I710 PolarHBondContact O-N 3.32Å
711Y95.9Very high88.9Confident16 Ų1669.9 Ų69.96%0.06335%0.35CS..Hα-helixtrans-108.3-2.8-179.761.9-103000113.9L697 Y700 R701 S708 D709 I744L697-Y711 HydrophobicContact CD1-CD2 3.86Å; L697-Y711 HydrophobicContact CD1-CE2 4.23Å; L697-Y711 HydrophobicContact CD1-CG 4.16Å; L697-Y711 HydrophobicContact CD2-CD1 3.73Å; L697-Y711 HydrophobicContact CD2-CD2 4.22Å; L697-Y711 HydrophobicContact CD2-CE1 4.33Å; L697-Y711 HydrophobicContact CD2-CG 3.67Å; Y700-Y711 HydrophobicContact CD1-CD1 4.25Å; Y700-Y711 HydrophobicContact CE1-CD1 4.21Å; R701-Y711 PolarHBondContact NE-OH 2.81Å; R701-Y711 PolarHBondContact NH2-OH 3.42Å; S708-Y711 PolarHBondContact O-N 3.47Å; D709-Y711 PolarHBondContact O-N 3.12Å; D709-Y711 VanDerWaalsContact O-N 3.12Å; Y711-I744 PolarHBondContact O-N 2.99Å
712R95.9Very high86.4Confident155 Ų15572 Ų7259%0.58536%0.363SS*.Hα-helixtrans-103.2-21.8177.4-72.2-178.2172.6-155.6-3113.2S708 D709 D742S708-R712 WeakPolarHBondContact O-CB 3.42Å; S708-R712 VanDerWaalsContact O-CG 3.3Å; S708-R712 WeakPolarHBondContact O-CG 3.29Å; S708-R712 PolarHBondContact O-N 2.97Å; D709-R712 PolarHBondContact O-N 3.11Å; D709-R712 VanDerWaalsContact O-N 3.12Å; R712-D742 CarbonylContact O-C 3.43Å
713Q95.3Very high84.1Confident121 Ų12170.1 Ų70.157%0.56538%0.376SS*.SBendtrans-129.677.2-178.5-65.7-179.4-10.800108.8D709 Y741D709-Q713 PolarHBondContact O-N 3.38Å; Q713-Y741 HydrophobicContact CB-CD1 4.38Å
714V97Very high81.8Confident0 Ų078.5 Ų78.50%042%0.415CS..EExtended strand (participates in β ladder)trans-101128.7177.5-171.70000108.6Q672 M716 Y741 D742 I744 F747Q672-V714 HydrophobicContact CG-CG1 4.41Å; Q672-V714 HydrophobicContact CG-CG2 4.17Å; V714-M716 PolarHBondContact O-N 2.74Å; V714-Y741 WeakPolarHBondContact O-CA 3.41Å; V714-D742 WeakPolarHBondContact CA-O 3.49Å; V714-D742 WeakPolarHBondContact CB-O 3.49Å; V714-D742 PolarHBondContact N-O 3.31Å; V714-D742 PolarHBondContact O-N 3.32Å; V714-I744 HydrophobicContact CG2-CB 4.2Å; V714-F747 HydrophobicContact CB-CB 4.06Å; V714-F747 HydrophobicContact CB-CG 4.41Å; V714-F747 HydrophobicContact CG1-CB 3.65Å; V714-F747 HydrophobicContact CG1-CD1 3.9Å; V714-F747 HydrophobicContact CG1-CD2 3.76Å; V714-F747 HydrophobicContact CG1-CE1 4.5Å; V714-F747 HydrophobicContact CG1-CE2 4.4Å; V714-F747 HydrophobicContact CG1-CG 3.47Å; V714-F747 VanDerWaalsContact CG1-CG 3.47Å
715L95.7Very high79.3Confident6 Ų681.3 Ų81.33%0.03143%0.425CS..EExtended strand (participates in β ladder)trans-63.6126.2-178.7-177.164.4000111.4R668 D717 K739 Y741R668-L715 HydrophobicContact CG-CB 4.17Å; R668-L715 PolarHBondContact NE-O 3.19Å; R668-L715 PolarHBondContact NH2-O 3.49Å; L715-D717 HydrophobicContact CD2-CB 4.36Å; L715-D717 HydrophobicContact CG-CB 4.13Å; L715-K739 HydrophobicContact CD1-CB 3.81Å; L715-K739 HydrophobicContact CD1-CD 4.09Å; L715-K739 HydrophobicContact CD1-CG 4.16Å; L715-Y741 HydrophobicContact CB-CD1 4.3Å; L715-Y741 HydrophobicContact CB-CE1 4.03Å; L715-Y741 HydrophobicContact CD1-CD1 4.45Å; L715-Y741 HydrophobicContact CD1-CE1 3.94Å; L715-Y741 HydrophobicContact CD1-CE2 4.42Å
716M94.4Very high77.1Confident27 Ų2788.6 Ų88.613%0.13346%0.464CS..  trans-97.913.5-175.2-63.2-58-64.200114.3V714 V740 D742 R746 F747 V750 I751V714-M716 PolarHBondContact O-N 2.74Å; M716-V740 HydrophobicContact CB-CB 4.36Å; M716-V740 HydrophobicContact CB-CG1 4.28Å; M716-V740 WeakPolarHBondContact CB-O 3.45Å; M716-V740 PolarHBondContact N-O 3.19Å; M716-D742 HydrophobicContact CG-CB 3.69Å; M716-D742 HydrophobicContact SD-CB 3.99Å; M716-R746 HydrophobicContact CE-CG 3.97Å; M716-F747 HydrophobicContact SD-CB 3.96Å; M716-V750 HydrophobicContact CE-CB 3.93Å; M716-V750 HydrophobicContact CE-CG1 4.14Å; M716-V750 HydrophobicContact CE-CG2 4.38Å; M716-I751 HydrophobicContact CB-CD1 4.47Å; M716-I751 HydrophobicContact CE-CD1 3.98Å; M716-I751 HydrophobicContact CE-CG1 4.27Å; M716-I751 WeakPolarHBondContact O-CD1 3.41Å; M716-I751 HydrophobicContact SD-CD1 4.28Å
717D89.8Confident74.5Confident50 Ų5097.1 Ų97.127%0.26750%0.501SS..  trans-61.2126.4177.4-67.1-5.1000111R668 L715R668-D717 PolarHBondContact NH2-O 3.26Å; L715-D717 HydrophobicContact CD2-CB 4.36Å; L715-D717 HydrophobicContact CG-CB 4.13Å
718P82.3Confident71.9Confident100 Ų10095.2 Ų95.265%0.64951%0.509SS*.  trans-62.5141.5179.624.8-32.2000110.7T720P718-T720 PolarHBondContact O-N 2.99Å
719V78.8Confident69.4Low40 Ų4099 Ų9924%0.24253%0.526CS..  trans-72.992.8173.5-179.60000107.8E663 K721 I751 L755E663-V719 HydrophobicContact CB-CG1 3.55Å; E663-V719 HydrophobicContact CG-CG1 4.46Å; V719-K721 PolarHBondContact O-N 3.34Å; V719-I751 HydrophobicContact CG2-CG2 4.09Å; V719-L755 HydrophobicContact CG2-CD2 4.34Å
720T65.3Low67.3Low106 Ų106100.6 Ų100.665%0.6554%0.541SS*.  trans-68.6120.2178.445.10000110.4P718 K722P718-T720 PolarHBondContact O-N 2.99Å; T720-K722 PolarHBondContact O-N 3.39Å
721K50.8Low64.7Low191 Ų191106.3 Ų106.383%0.8357%0.572SS**  trans-74.9107.4162.4-69.9-177.3179.6178.20106.8V719 G723V719-K721 PolarHBondContact O-N 3.34Å; K721-G723 PolarHBondContact O-N 2.91Å; K721-G723 VanDerWaalsContact O-N 3.08Å
722K43.6Very low62.3Low177 Ų177110.3 Ų110.377%0.7760%0.602SS**THydrogen-bonded Turntrans-53.4115.7170-82.4-175.3174.8-176.40108.4E470 T720E470-K722 IonicContact OE1-NZ 3.34Å; E470-K722 PolarHBondContact OE1-NZ 3.07Å; T720-K722 PolarHBondContact O-N 3.39Å
723G42.6Very low59.9Low74 Ų74110.4 Ų110.476%0.76361%0.612SS**THydrogen-bonded Turntrans163.5-26.8171.600000119.5K721K721-G723 PolarHBondContact O-N 2.91Å; K721-G723 VanDerWaalsContact O-N 3.08Å
724E43.9Very low57.6Low184 Ų184113.6 Ų113.686%0.8663%0.627SS**SBendtrans-116.8-11.2-166.6-77.7-174164.300118.7
725N36.8Very low55.1Low156 Ų156121.9 Ų121.983%0.83467%0.665SS**  trans-139.535.5-178.5-76.6-33.9000115.9Q727N725-Q727 PolarHBondContact O-N 3.2Å
726D43.4Very low53Low175 Ų175126.6 Ų126.694%0.93670%0.699SS**  trans-81.345173.9-109.98.3000113
727Q37.5Very low51.6Low199 Ų199132.6 Ų132.693%0.9373%0.73SS**  trans-108.468.3158.1-72.8-174.38.300108N725N725-Q727 PolarHBondContact O-N 3.2Å
728G37.7Very low51Low64 Ų64138.5 Ų138.566%0.6676%0.756SS**  trans-116.4125.617400000110.3
729D41.5Very low51.3Low128 Ų128137.8 Ų137.868%0.68474%0.743SS**  trans-57.6132.3-176.2-157.93.6000112.8D731D729-D731 PolarHBondContact O-N 3.22Å; D729-D731 VanDerWaalsContact O-N 3.15Å
730P48.7Very low51.9Low120 Ų120140.1 Ų140.178%0.77976%0.757SS**THydrogen-bonded Turntrans-67.6-11.1-174.2-1831.2000115.7
731D43Very low53.3Low144 Ų144140.9 Ų140.977%0.7775%0.749SS**THydrogen-bonded Turntrans-96.59.1-170.3-81.4-10000114.9D729 I733D729-D731 PolarHBondContact O-N 3.22Å; D729-D731 VanDerWaalsContact O-N 3.15Å; D731-I733 PolarHBondContact O-N 3.43Å; D731-I733 VanDerWaalsContact O-N 3.08Å
732S44.3Very low55.5Low100 Ų100133.9 Ų133.970%0.69972%0.72SS**  trans-80.193.9170.3550000111.1E734S732-E734 PolarHBondContact O-N 3.3Å
733I45.7Very low58Low156 Ų156128.5 Ų128.580%0.870%0.7SS**  trans-41.7123.4170.1-62.7169.1000109.7D731 H735D731-I733 PolarHBondContact O-N 3.43Å; D731-I733 VanDerWaalsContact O-N 3.08Å; I733-H735 VanDerWaalsContact C-N 3.28Å; I733-H735 PolarHBondContact O-N 3.45Å
734E47.5Very low60.6Low189 Ų189125.1 Ų125.188%0.88367%0.665SS**  trans-48.878.4-177.4-155175.4-153.100112.3S732 S736S732-E734 PolarHBondContact O-N 3.3Å; E734-S736 PolarHBondContact O-N 2.95Å; E734-S736 VanDerWaalsContact O-N 3.13Å
735H44.1Very low63.1Low173 Ų173119 Ų11980%0.80164%0.64SS**  trans-69109.4165.6-12971.5000105.5I733 I737I733-H735 VanDerWaalsContact C-N 3.28Å; I733-H735 PolarHBondContact O-N 3.45Å; H735-I737 VanDerWaalsContact C-N 3.35Å; H735-I737 PolarHBondContact O-N 2.9Å
736S50.4Low66Low105 Ų105118.1 Ų118.173%0.73463%0.625SS**  trans-49.498.3172.952.90000109.2E734 E738E734-S736 PolarHBondContact O-N 2.95Å; E734-S736 VanDerWaalsContact O-N 3.13Å; S736-E738 PolarHBondContact O-N 3.29Å
737I64.8Low68.6Low154 Ų154109.8 Ų109.879%0.7958%0.58SS**  trans-63110.3176.9-60.6175000105.7H735 K739H735-I737 VanDerWaalsContact C-N 3.35Å; H735-I737 PolarHBondContact O-N 2.9Å; I737-K739 PolarHBondContact O-N 3.5Å
738E78Confident71.4Confident174 Ų174100.4 Ų100.481%0.81354%0.536SS*.PPolyproline II helixtrans-58.5120.4179.3-173.8178.5-179.900109S736 V740S736-E738 PolarHBondContact O-N 3.29Å; E738-V740 PolarHBondContact O-N 3.39Å
739K87.9Confident74.2Confident84 Ų84101.7 Ų101.737%0.36553%0.528SS..PPolyproline II helixtrans-66.7120.9179.9-72.7-173.2175-173.20109.8E461 L715 I737 Y741E461-K739 IonicContact OE2-NZ 3.44Å; L715-K739 HydrophobicContact CD1-CB 3.81Å; L715-K739 HydrophobicContact CD1-CD 4.09Å; L715-K739 HydrophobicContact CD1-CG 4.16Å; I737-K739 PolarHBondContact O-N 3.5Å; K739-Y741 HydrophobicContact CB-CE2 3.71Å; K739-Y741 VanDerWaalsContact O-CD2 3.25Å; K739-Y741 WeakPolarHBondContact O-CD2 3.41Å; K739-Y741 WeakPolarHBondContact O-CE2 3.3Å
740V92.5Very high76.8Confident89 Ų8999.7 Ų99.754%0.53952%0.52SS..PPolyproline II helixtrans-87.3129-179.3-179.30000109.8M716 E738M716-V740 HydrophobicContact CB-CB 4.36Å; M716-V740 HydrophobicContact CB-CG1 4.28Å; M716-V740 WeakPolarHBondContact CB-O 3.45Å; M716-V740 PolarHBondContact N-O 3.19Å; E738-V740 PolarHBondContact O-N 3.39Å
741Y95.2Very high79Confident122 Ų12294.8 Ų94.848%0.47849%0.487SS..EExtended strand (participates in β ladder)trans-117.7140.2176.8-64-93.5000110.8Q713 V714 L715 K739Q713-Y741 HydrophobicContact CB-CD1 4.38Å; V714-Y741 WeakPolarHBondContact O-CA 3.41Å; L715-Y741 HydrophobicContact CB-CD1 4.3Å; L715-Y741 HydrophobicContact CB-CE1 4.03Å; L715-Y741 HydrophobicContact CD1-CD1 4.45Å; L715-Y741 HydrophobicContact CD1-CE1 3.94Å; L715-Y741 HydrophobicContact CD1-CE2 4.42Å; K739-Y741 HydrophobicContact CB-CE2 3.71Å; K739-Y741 VanDerWaalsContact O-CD2 3.25Å; K739-Y741 WeakPolarHBondContact O-CD2 3.41Å; K739-Y741 WeakPolarHBondContact O-CE2 3.3Å
742D96.2Very high81.6Confident44 Ų4487.9 Ų87.924%0.23545%0.45CS..EExtended strand (participates in β ladder)trans-145.6-179176.2-145.4-50.2000111.3R712 V714 M716 R746R712-D742 CarbonylContact O-C 3.43Å; V714-D742 WeakPolarHBondContact CA-O 3.49Å; V714-D742 WeakPolarHBondContact CB-O 3.49Å; V714-D742 PolarHBondContact N-O 3.31Å; V714-D742 PolarHBondContact O-N 3.32Å; M716-D742 HydrophobicContact CG-CB 3.69Å; M716-D742 HydrophobicContact SD-CB 3.99Å; D742-R746 HydrophobicContact CB-CB 4.24Å; D742-R746 WeakPolarHBondContact OD2-CD 3.49Å; D742-R746 IonicContact OD2-CZ 3.95Å; D742-R746 IonicContact OD2-NE 2.98Å; D742-R746 PolarHBondContact OD2-NE 3.38Å; D742-R746 IonicContact OD2-NH1 3.16Å; D742-R746 PolarHBondContact OD2-NH1 2.87Å
743D96.6Very high84.1Confident65 Ų6586.7 Ų86.735%0.34843%0.431SS..  trans-74162.9-178.778.630000113.6T745 R746 F747D743-T745 PolarHBondContact O-N 2.98Å; D743-T745 VanDerWaalsContact O-N 3.16Å; D743-T745 VanDerWaalsContact OD1-CA 3.29Å; D743-T745 WeakPolarHBondContact OD1-CA 3.36Å; D743-T745 WeakPolarHBondContact OD1-CB 3.39Å; D743-T745 PolarHBondContact OD1-N 2.93Å; D743-R746 PolarHBondContact O-N 3.36Å; D743-R746 PolarHBondContact OD1-N 2.82Å; D743-F747 PolarHBondContact O-N 3.21Å
744I97.3Very high86.4Confident3 Ų382.7 Ų82.72%0.01542%0.415CS..Hα-helixtrans-60-26.3179.7-164.4165.1000113.4I675 F693 L697 Y711 V714 Y748I675-I744 HydrophobicContact CB-CD1 3.82Å; I675-I744 HydrophobicContact CD1-CD1 4.11Å; I675-I744 HydrophobicContact CG2-CD1 3.58Å; F693-I744 HydrophobicContact CD1-CG2 4.12Å; F693-I744 HydrophobicContact CE1-CG1 4.3Å; F693-I744 HydrophobicContact CE1-CG2 4.45Å; L697-I744 HydrophobicContact CD1-CG2 4.31Å; Y711-I744 PolarHBondContact O-N 2.99Å; V714-I744 HydrophobicContact CG2-CB 4.2Å; I744-Y748 VanDerWaalsContact O-CB 3.24Å; I744-Y748 WeakPolarHBondContact O-CB 3.47Å; I744-Y748 PolarHBondContact O-N 2.84Å
745T96.7Very high88.7Confident55 Ų5575.4 Ų75.434%0.33738%0.382SS..Hα-helixtrans-72.2-42.5179.5-47.10000110.1F693 D743 Y748 N749F693-T745 HydrophobicContact CD2-CG2 4.07Å; F693-T745 HydrophobicContact CE2-CG2 4.23Å; D743-T745 PolarHBondContact O-N 2.98Å; D743-T745 VanDerWaalsContact O-N 3.16Å; D743-T745 VanDerWaalsContact OD1-CA 3.29Å; D743-T745 WeakPolarHBondContact OD1-CA 3.36Å; D743-T745 WeakPolarHBondContact OD1-CB 3.39Å; D743-T745 PolarHBondContact OD1-N 2.93Å; T745-Y748 WeakPolarHBondContact O-CB 3.48Å; T745-Y748 PolarHBondContact O-N 2.91Å; T745-N749 PolarHBondContact O-N 2.92Å; T745-N749 VanDerWaalsContact O-N 3.08Å; T745-N749 PolarHBondContact O-ND2 3.41Å; T745-N749 VanDerWaalsContact O-ND2 3.1Å
746R97Very high91Very high137 Ų13767.1 Ų67.152%0.51734%0.344SS..Hα-helixtrans-68.7-44.4175.4-165.3-178.9-169.4151-0.2111.4M716 D742 D743 Y748 N749 V750M716-R746 HydrophobicContact CE-CG 3.97Å; D742-R746 HydrophobicContact CB-CB 4.24Å; D742-R746 WeakPolarHBondContact OD2-CD 3.49Å; D742-R746 IonicContact OD2-CZ 3.95Å; D742-R746 IonicContact OD2-NE 2.98Å; D742-R746 PolarHBondContact OD2-NE 3.38Å; D742-R746 IonicContact OD2-NH1 3.16Å; D742-R746 PolarHBondContact OD2-NH1 2.87Å; D743-R746 PolarHBondContact O-N 3.36Å; D743-R746 PolarHBondContact OD1-N 2.82Å; R746-Y748 PolarHBondContact O-N 3.49Å; R746-N749 PolarHBondContact O-N 3.13Å; R746-V750 HydrophobicContact CG-CG2 3.87Å; R746-V750 WeakPolarHBondContact O-CB 3.37Å; R746-V750 WeakPolarHBondContact O-CG2 3.22Å; R746-V750 PolarHBondContact O-N 3.38Å
747F97.8Very high93Very high0 Ų064.8 Ų64.80%032%0.321CS..Hα-helixtrans-54-44.3172.1168.4-108.8000111.4I664 R668 V714 M716 D743 I751 F752I664-F747 HydrophobicContact CD1-CZ 3.83Å; I664-F747 HydrophobicContact CG1-CE2 4.34Å; I664-F747 HydrophobicContact CG1-CZ 3.88Å; R668-F747 VanDerWaalsContact NE-CE2 3.27Å; V714-F747 HydrophobicContact CB-CB 4.06Å; V714-F747 HydrophobicContact CB-CG 4.41Å; V714-F747 HydrophobicContact CG1-CB 3.65Å; V714-F747 HydrophobicContact CG1-CD1 3.9Å; V714-F747 HydrophobicContact CG1-CD2 3.76Å; V714-F747 HydrophobicContact CG1-CE1 4.5Å; V714-F747 HydrophobicContact CG1-CE2 4.4Å; V714-F747 HydrophobicContact CG1-CG 3.47Å; V714-F747 VanDerWaalsContact CG1-CG 3.47Å; M716-F747 HydrophobicContact SD-CB 3.96Å; D743-F747 PolarHBondContact O-N 3.21Å; F747-I751 HydrophobicContact CD2-CB 3.95Å; F747-I751 HydrophobicContact CD2-CD1 4.13Å; F747-I751 HydrophobicContact CD2-CG1 4.47Å; F747-I751 HydrophobicContact CD2-CG2 4.34Å; F747-I751 HydrophobicContact CE2-CB 3.95Å; F747-I751 HydrophobicContact CE2-CD1 4.48Å; F747-I751 HydrophobicContact CE2-CG2 3.86Å; F747-I751 PolarHBondContact O-N 3.37Å; F747-F752 HydrophobicContact CD1-CB 4.4Å; F747-F752 HydrophobicContact CE1-CB 3.99Å; F747-F752 HydrophobicContact CE1-CD2 4.17Å; F747-F752 HydrophobicContact CE1-CG 4.48Å; F747-F752 HydrophobicContact CZ-CB 4.19Å; F747-F752 HydrophobicContact CZ-CD2 4.43Å; F747-F752 PolarHBondContact O-N 3Å
748Y97.2Very high94.1Very high2 Ų265.3 Ų65.31%0.00832%0.321CS..Iπ-helixtrans-58.8-50177.8171.8-92.1000112.3C676 F679 L680 F693 I744 T745 R746 F752 Y753C676-Y748 HydrophobicContact CB-CD2 4.22Å; F679-Y748 HydrophobicContact CD1-CD1 4.36Å; F679-Y748 AromaticContact CD1-CD2 4Å; F679-Y748 HydrophobicContact CD1-CD2 4Å; F679-Y748 HydrophobicContact CD1-CE1 4.04Å; F679-Y748 AromaticContact CD1-CE2 3.59Å; F679-Y748 HydrophobicContact CD1-CE2 3.59Å; F679-Y748 HydrophobicContact CD1-CG 4.36Å; F679-Y748 AromaticContact CD1-CZ 3.62Å; F679-Y748 HydrophobicContact CE1-CD1 4.11Å; F679-Y748 AromaticContact CE1-CE1 3.67Å; F679-Y748 HydrophobicContact CE1-CE1 3.67Å; F679-Y748 HydrophobicContact CE1-CE2 4.1Å; F679-Y748 AromaticContact CE1-CZ 3.64Å; L680-Y748 HydrophobicContact CB-CE2 4.19Å; L680-Y748 WeakPolarHBondContact CD1-OH 3.42Å; F693-Y748 HydrophobicContact CE2-CD1 4.02Å; F693-Y748 HydrophobicContact CE2-CD2 4.5Å; F693-Y748 AromaticContact CE2-CG 3.89Å; F693-Y748 HydrophobicContact CE2-CG 3.89Å; F693-Y748 HydrophobicContact CZ-CD1 4.12Å; F693-Y748 AromaticContact CZ-CD2 3.82Å; F693-Y748 HydrophobicContact CZ-CD2 3.82Å; F693-Y748 AromaticContact CZ-CG 3.54Å; F693-Y748 HydrophobicContact CZ-CG 3.54Å; I744-Y748 VanDerWaalsContact O-CB 3.24Å; I744-Y748 WeakPolarHBondContact O-CB 3.47Å; I744-Y748 PolarHBondContact O-N 2.84Å; T745-Y748 WeakPolarHBondContact O-CB 3.48Å; T745-Y748 PolarHBondContact O-N 2.91Å; R746-Y748 PolarHBondContact O-N 3.49Å; Y748-F752 AromaticContact CD2-CD1 3.7Å; Y748-F752 HydrophobicContact CD2-CD1 3.7Å; Y748-F752 HydrophobicContact CD2-CE1 4.34Å; Y748-F752 HydrophobicContact CD2-CG 4.4Å; Y748-F752 AromaticContact CE2-CD1 3.91Å; Y748-F752 HydrophobicContact CE2-CD1 3.91Å; Y748-F752 HydrophobicContact CE2-CE1 4.26Å; Y748-Y753 VanDerWaalsContact O-CB 3.26Å; Y748-Y753 WeakPolarHBondContact O-CB 3.49Å; Y748-Y753 PolarHBondContact O-N 3.19Å
749N95.5Very high94.6Very high92 Ų9258.8 Ų58.849%0.49229%0.291SS..Iπ-helixtrans-74.8-36.3-174.5-69.9-40.4000113.4T745 R746 P754T745-N749 PolarHBondContact O-N 2.92Å; T745-N749 VanDerWaalsContact O-N 3.08Å; T745-N749 PolarHBondContact O-ND2 3.41Å; T745-N749 VanDerWaalsContact O-ND2 3.1Å; R746-N749 PolarHBondContact O-N 3.13Å; N749-P754 WeakPolarHBondContact O-CD 3.38Å
750V95.7Very high94.5Very high86 Ų8655.1 Ų55.152%0.52128%0.275SS..Iπ-helixtrans-91-33.7-171.6178.30000112.3M716 R746M716-V750 HydrophobicContact CE-CB 3.93Å; M716-V750 HydrophobicContact CE-CG1 4.14Å; M716-V750 HydrophobicContact CE-CG2 4.38Å; R746-V750 HydrophobicContact CG-CG2 3.87Å; R746-V750 WeakPolarHBondContact O-CB 3.37Å; R746-V750 WeakPolarHBondContact O-CG2 3.22Å; R746-V750 PolarHBondContact O-N 3.38Å
751I96.1Very high94.3Very high16 Ų1656.2 Ų56.28%0.08227%0.273CS..Iπ-helixtrans-120.8-57.1-171.1-57.8179.8000111.3M716 V719 F747 L755M716-I751 HydrophobicContact CB-CD1 4.47Å; M716-I751 HydrophobicContact CE-CD1 3.98Å; M716-I751 HydrophobicContact CE-CG1 4.27Å; M716-I751 WeakPolarHBondContact O-CD1 3.41Å; M716-I751 HydrophobicContact SD-CD1 4.28Å; V719-I751 HydrophobicContact CG2-CG2 4.09Å; F747-I751 HydrophobicContact CD2-CB 3.95Å; F747-I751 HydrophobicContact CD2-CD1 4.13Å; F747-I751 HydrophobicContact CD2-CG1 4.47Å; F747-I751 HydrophobicContact CD2-CG2 4.34Å; F747-I751 HydrophobicContact CE2-CB 3.95Å; F747-I751 HydrophobicContact CE2-CD1 4.48Å; F747-I751 HydrophobicContact CE2-CG2 3.86Å; F747-I751 PolarHBondContact O-N 3.37Å; I751-L755 VanDerWaalsContact O-CB 3.29Å; I751-L755 WeakPolarHBondContact O-CB 3.45Å; I751-L755 PolarHBondContact O-N 3.45Å
752F97.5Very high93.7Very high0 Ų053.5 Ų53.50%028%0.276CS..Iπ-helixtrans-64.4-55.4-171.3-178.3-87.3000112.3I657 I664 I673 C676 L680 F747 Y748 L755 V756I657-F752 HydrophobicContact CD1-CE2 3.78Å; I657-F752 HydrophobicContact CD1-CZ 3.78Å; I664-F752 HydrophobicContact CD1-CB 4.34Å; I664-F752 HydrophobicContact CD1-CD2 3.56Å; I664-F752 HydrophobicContact CD1-CE2 4.3Å; I664-F752 HydrophobicContact CD1-CG 4.32Å; I673-F752 HydrophobicContact CG2-CE2 4.26Å; C676-F752 HydrophobicContact CB-CD1 3.78Å; C676-F752 HydrophobicContact CB-CD2 3.55Å; C676-F752 HydrophobicContact CB-CE1 3.7Å; C676-F752 HydrophobicContact CB-CE2 3.47Å; C676-F752 VanDerWaalsContact CB-CE2 3.47Å; C676-F752 HydrophobicContact CB-CG 3.72Å; C676-F752 HydrophobicContact CB-CZ 3.56Å; L680-F752 HydrophobicContact CB-CE1 4.39Å; L680-F752 HydrophobicContact CD2-CE1 4.03Å; F747-F752 HydrophobicContact CD1-CB 4.4Å; F747-F752 HydrophobicContact CE1-CB 3.99Å; F747-F752 HydrophobicContact CE1-CD2 4.17Å; F747-F752 HydrophobicContact CE1-CG 4.48Å; F747-F752 HydrophobicContact CZ-CB 4.19Å; F747-F752 HydrophobicContact CZ-CD2 4.43Å; F747-F752 PolarHBondContact O-N 3Å; Y748-F752 AromaticContact CD2-CD1 3.7Å; Y748-F752 HydrophobicContact CD2-CD1 3.7Å; Y748-F752 HydrophobicContact CD2-CE1 4.34Å; Y748-F752 HydrophobicContact CD2-CG 4.4Å; Y748-F752 AromaticContact CE2-CD1 3.91Å; Y748-F752 HydrophobicContact CE2-CD1 3.91Å; Y748-F752 HydrophobicContact CE2-CE1 4.26Å; F752-L755 PolarHBondContact O-N 3.25Å; F752-V756 HydrophobicContact CD1-CG2 4.04Å; F752-V756 HydrophobicContact CE1-CG2 3.74Å; F752-V756 HydrophobicContact CZ-CG2 4.25Å; F752-V756 WeakPolarHBondContact O-CG2 3.2Å; F752-V756 PolarHBondContact O-N 2.96Å
753Y95.7Very high93Very high74 Ų7454.7 Ų54.729%0.2928%0.281SS..Hα-helixtrans-62.6-49.6-175.1175.1-91.2000112.2L680 Y748 L755 V756 E757L680-Y753 HydrophobicContact CD1-CD2 4Å; L680-Y753 HydrophobicContact CD1-CE2 4.13Å; Y748-Y753 VanDerWaalsContact O-CB 3.26Å; Y748-Y753 WeakPolarHBondContact O-CB 3.49Å; Y748-Y753 PolarHBondContact O-N 3.19Å; Y753-L755 PolarHBondContact O-N 3.47Å; Y753-V756 PolarHBondContact O-N 3.45Å; Y753-E757 HydrophobicContact CE1-CB 4.32Å; Y753-E757 HydrophobicContact CE1-CG 4.18Å; Y753-E757 WeakPolarHBondContact O-CB 3.37Å; Y753-E757 PolarHBondContact O-N 2.9Å; Y753-E757 PolarHBondContact OH-OE1 3.49Å
754P94.9Very high91.9Very high73 Ų7354.9 Ų54.947%0.47428%0.279SS..Hα-helixtrans-58.5-31.5176.8-25.936.5000113.6N749N749-P754 WeakPolarHBondContact O-CD 3.38Å
755L94.7Very high90.8Very high35 Ų3558.9 Ų58.918%0.18330%0.303CS..Hα-helixtrans-72-36.4179.4-173.667.4000113H661 I664 V719 I751 F752 Y753H661-L755 HydrophobicContact CB-CD2 3.86Å; H661-L755 HydrophobicContact CB-CG 4.27Å; H661-L755 PolarHBondContact NE2-O 2.95Å; I664-L755 HydrophobicContact CB-CD2 3.99Å; I664-L755 HydrophobicContact CD1-CD2 3.89Å; I664-L755 HydrophobicContact CG1-CD2 4.17Å; V719-L755 HydrophobicContact CG2-CD2 4.34Å; I751-L755 VanDerWaalsContact O-CB 3.29Å; I751-L755 WeakPolarHBondContact O-CB 3.45Å; I751-L755 PolarHBondContact O-N 3.45Å; F752-L755 PolarHBondContact O-N 3.25Å; Y753-L755 PolarHBondContact O-N 3.47Å
756V94.1Very high88.9Confident0 Ų061.7 Ų61.70%032%0.323CS..Hα-helixtrans-109.54.2-171.5-50.60000113.8I657 L680 F752 Y753 E758 D759 I760I657-V756 HydrophobicContact CD1-CG1 3.86Å; I657-V756 HydrophobicContact CG1-CG1 3.79Å; L680-V756 HydrophobicContact CD2-CG2 3.65Å; F752-V756 HydrophobicContact CD1-CG2 4.04Å; F752-V756 HydrophobicContact CE1-CG2 3.74Å; F752-V756 HydrophobicContact CZ-CG2 4.25Å; F752-V756 WeakPolarHBondContact O-CG2 3.2Å; F752-V756 PolarHBondContact O-N 2.96Å; Y753-V756 PolarHBondContact O-N 3.45Å; V756-E758 VanDerWaalsContact C-N 3.3Å; V756-E758 PolarHBondContact O-N 3.46Å; V756-D759 PolarHBondContact O-N 3.02Å; V756-I760 PolarHBondContact O-N 2.78Å
757E91.8Very high86.5Confident56 Ų5660.7 Ų60.726%0.26232%0.324SS..Hα-helixtrans-59.3-38.9-176.9-179.7172.2-163.300112.4Y753 I760 K761Y753-E757 HydrophobicContact CE1-CB 4.32Å; Y753-E757 HydrophobicContact CE1-CG 4.18Å; Y753-E757 WeakPolarHBondContact O-CB 3.37Å; Y753-E757 PolarHBondContact O-N 2.9Å; Y753-E757 PolarHBondContact OH-OE1 3.49Å; E757-I760 VanDerWaalsContact O-CG2 3.29Å; E757-I760 WeakPolarHBondContact O-CG2 3.41Å; E757-K761 HydrophobicContact CG-CD 4.15Å; E757-K761 WeakPolarHBondContact O-CB 3.45Å; E757-K761 VanDerWaalsContact O-CG 3.27Å; E757-K761 WeakPolarHBondContact O-CG 3.25Å; E757-K761 PolarHBondContact O-N 3.44Å; E757-K761 VanDerWaalsContact O-N 3.11Å; E757-K761 VanDerWaalsContact OE1-CE 3.22Å; E757-K761 WeakPolarHBondContact OE1-CE 3.4Å; E757-K761 IonicContact OE1-NZ 2.81Å; E757-K761 PolarHBondContact OE1-NZ 2.89Å
758E88.5Confident83.8Confident165 Ų16567 Ų6777%0.77136%0.363SS*.Hα-helixtrans-68.8-43.2177.1-65.5-173161.100111.7V756 I760 K761 A762V756-E758 VanDerWaalsContact C-N 3.3Å; V756-E758 PolarHBondContact O-N 3.46Å; E758-I760 VanDerWaalsContact C-N 3.34Å; E758-I760 PolarHBondContact O-N 3.46Å; E758-K761 PolarHBondContact O-N 3.46Å; E758-A762 WeakPolarHBondContact O-CB 3.21Å; E758-A762 PolarHBondContact O-N 3.36Å
759D87.6Confident81Confident36 Ų3673 Ų7319%0.19340%0.395CS..Hα-helixtrans-63.3-39.9178.8-67.8-67.2000112.1R656 H661 V756 A762 M763R656-D759 HydrophobicContact CG-CB 4.39Å; H661-D759 IonicContact CD2-OD2 2.94Å; H661-D759 PolarHBondContact CD2-OD2 2.9Å; H661-D759 VanDerWaalsContact CD2-OD2 3.25Å; H661-D759 IonicContact CE1-OD2 2.84Å; H661-D759 IonicContact NE2-OD2 3.32Å; H661-D759 PolarHBondContact NE2-OD2 3.29Å; V756-D759 PolarHBondContact O-N 3.02Å; D759-A762 PolarHBondContact O-N 3Å; D759-M763 WeakPolarHBondContact O-CB 3.39Å; D759-M763 PolarHBondContact O-N 2.88Å
760I86.8Confident78.6Confident7 Ų777.9 Ų77.94%0.03641%0.412CS..Hα-helixtrans-71.1-39.9178.7-158.667.1000111L653 L680 T681 V684 V756 E757 E758 A762 M763 F764L653-I760 HydrophobicContact CD1-CD1 4.39Å; L653-I760 HydrophobicContact CD2-CD1 4.15Å; L680-I760 HydrophobicContact CD1-CG1 4.45Å; L680-I760 HydrophobicContact CD2-CB 4.13Å; L680-I760 HydrophobicContact CD2-CD1 4.22Å; L680-I760 HydrophobicContact CD2-CG1 3.99Å; L680-I760 HydrophobicContact CD2-CG2 4.32Å; L680-I760 HydrophobicContact CG-CD1 4.27Å; L680-I760 HydrophobicContact CG-CG1 4.06Å; T681-I760 HydrophobicContact CG2-CD1 4.38Å; V684-I760 HydrophobicContact CG2-CG1 4.28Å; V756-I760 PolarHBondContact O-N 2.78Å; E757-I760 VanDerWaalsContact O-CG2 3.29Å; E757-I760 WeakPolarHBondContact O-CG2 3.41Å; E758-I760 VanDerWaalsContact C-N 3.34Å; E758-I760 PolarHBondContact O-N 3.46Å; I760-A762 VanDerWaalsContact C-N 3.31Å; I760-A762 PolarHBondContact O-N 3.47Å; I760-M763 HydrophobicContact CD1-SD 4.39Å; I760-M763 PolarHBondContact O-N 2.89Å; I760-F764 HydrophobicContact CD1-CD2 4Å; I760-F764 HydrophobicContact CD1-CE2 3.57Å; I760-F764 HydrophobicContact CG1-CD2 3.94Å; I760-F764 HydrophobicContact CG1-CE2 3.88Å; I760-F764 WeakPolarHBondContact O-CD2 3.35Å; I760-F764 PolarHBondContact O-N 3.11Å; I760-F764 VanDerWaalsContact O-N 3.16Å
761K87.2Confident76Confident112 Ų11282.8 Ų82.849%0.48743%0.429SS..Hα-helixtrans-60.6-43.1174-75.3172.2-175.4168.90110.8E757 E758 M763 F764 T765E757-K761 HydrophobicContact CG-CD 4.15Å; E757-K761 WeakPolarHBondContact O-CB 3.45Å; E757-K761 VanDerWaalsContact O-CG 3.27Å; E757-K761 WeakPolarHBondContact O-CG 3.25Å; E757-K761 PolarHBondContact O-N 3.44Å; E757-K761 VanDerWaalsContact O-N 3.11Å; E757-K761 VanDerWaalsContact OE1-CE 3.22Å; E757-K761 WeakPolarHBondContact OE1-CE 3.4Å; E757-K761 IonicContact OE1-NZ 2.81Å; E757-K761 PolarHBondContact OE1-NZ 2.89Å; E758-K761 PolarHBondContact O-N 3.46Å; K761-M763 VanDerWaalsContact C-N 3.34Å; K761-M763 PolarHBondContact O-N 3.33Å; K761-F764 PolarHBondContact O-N 3.17Å; K761-T765 PolarHBondContact O-N 3.32Å; K761-T765 PolarHBondContact O-OG1 2.93Å
762A83Confident73.1Confident66 Ų6685 Ų8555%0.54545%0.445SS..Hα-helixtrans-61.2-41175.400000112.1E758 D759 I760 F764E758-A762 WeakPolarHBondContact O-CB 3.21Å; E758-A762 PolarHBondContact O-N 3.36Å; D759-A762 PolarHBondContact O-N 3Å; I760-A762 VanDerWaalsContact C-N 3.31Å; I760-A762 PolarHBondContact O-N 3.47Å; A762-F764 VanDerWaalsContact C-N 3.31Å; A762-F764 PolarHBondContact O-N 2.92Å
763M81.2Confident70.1Confident69 Ų6992.3 Ų92.334%0.3448%0.484SS..Hα-helixtrans-65.1-29.3178.7-176.7176.6-77.700114Q649 A652 L653 D759 I760 K761Q649-M763 HydrophobicContact CB-SD 4.22Å; Q649-M763 HydrophobicContact CG-SD 4.36Å; A652-M763 HydrophobicContact CB-CE 3.48Å; A652-M763 VanDerWaalsContact CB-CE 3.48Å; L653-M763 HydrophobicContact CB-CE 4.42Å; D759-M763 WeakPolarHBondContact O-CB 3.39Å; D759-M763 PolarHBondContact O-N 2.88Å; I760-M763 HydrophobicContact CD1-SD 4.39Å; I760-M763 PolarHBondContact O-N 2.89Å; K761-M763 VanDerWaalsContact C-N 3.34Å; K761-M763 PolarHBondContact O-N 3.33Å
764F73.5Confident67.4Low69 Ų6993.5 Ų93.530%0.30350%0.5SS..Hα-helixtrans-104.2-3.4-178.1-74.9-87.4000114.2V684 I760 K761 A762 P766V684-F764 HydrophobicContact CB-CD2 4.41Å; V684-F764 HydrophobicContact CB-CE2 3.94Å; V684-F764 HydrophobicContact CB-CZ 3.99Å; V684-F764 HydrophobicContact CG1-CD1 3.84Å; V684-F764 HydrophobicContact CG1-CD2 3.51Å; V684-F764 HydrophobicContact CG1-CE1 3.81Å; V684-F764 HydrophobicContact CG1-CE2 3.49Å; V684-F764 VanDerWaalsContact CG1-CE2 3.49Å; V684-F764 HydrophobicContact CG1-CG 3.69Å; V684-F764 HydrophobicContact CG1-CZ 3.64Å; I760-F764 HydrophobicContact CD1-CD2 4Å; I760-F764 HydrophobicContact CD1-CE2 3.57Å; I760-F764 HydrophobicContact CG1-CD2 3.94Å; I760-F764 HydrophobicContact CG1-CE2 3.88Å; I760-F764 WeakPolarHBondContact O-CD2 3.35Å; I760-F764 PolarHBondContact O-N 3.11Å; I760-F764 VanDerWaalsContact O-N 3.16Å; K761-F764 PolarHBondContact O-N 3.17Å; A762-F764 VanDerWaalsContact C-N 3.31Å; A762-F764 PolarHBondContact O-N 2.92Å; F764-P766 WeakPolarHBondContact O-CD 3.34Å
765T73.9Confident64.7Low86 Ų8695.3 Ų95.353%0.52851%0.511SS..SBendtrans-75.4121.3173.8-58.50000109K761 E767K761-T765 PolarHBondContact O-N 3.32Å; K761-T765 PolarHBondContact O-OG1 2.93Å; T765-E767 PolarHBondContact O-N 3.01Å
766P56.6Low62.2Low115 Ų11598 Ų9875%0.74753%0.533SS*.  trans-69.5102.3173.926.1-30.1000109.4F764 T768F764-P766 WeakPolarHBondContact O-CD 3.34Å; P766-T768 PolarHBondContact O-N 2.89Å
767E46.3Very low60Low115 Ų11598.6 Ų98.654%0.53754%0.537SS..  trans-61.4117.2176.6-70.5-167.9172.400110.8T765 S772T765-E767 PolarHBondContact O-N 3.01Å; E767-S772 PolarHBondContact OE2-OG 3.45Å
768T42.9Very low58.3Low134 Ų13499.6 Ų99.682%0.82255%0.548SS*.  trans-77.5-4.516740.40000113.3P766P766-T768 PolarHBondContact O-N 2.89Å
769D38Very low56.6Low126 Ų12692.9 Ų92.967%0.67452%0.518SS*.  trans-106.3115.4-176.6-76.1-35.3000112.8H771D769-H771 PolarHBondContact O-N 3.03Å
770K44.3Very low55Low195 Ų19592.1 Ų92.185%0.84852%0.515SS*.THydrogen-bonded Turntrans-68.411.9-168.3-78-177.6173.9176.10116.6
771H41.2Very low53.1Low190 Ų19096.4 Ų96.488%0.8855%0.545SS*.THydrogen-bonded Turntrans-125.69.5-169.2-72.5-4000117.4D769D769-H771 PolarHBondContact O-N 3.03Å
772S36.5Very low51Low61 Ų6195.2 Ų95.243%0.42754%0.544SS..  trans-128.964.7170.544.10000112.7E767 T774E767-S772 PolarHBondContact OE2-OG 3.45Å; S772-T774 VanDerWaalsContact C-N 3.26Å; S772-T774 PolarHBondContact O-N 2.88Å
773N34.3Very low48.5Very low154 Ų154100.3 Ų100.382%0.82455%0.553SS**  trans-60.192.5160.6-75.5-26.4000108.2P775N773-P775 WeakPolarHBondContact O-CD 3.39Å
774T39.3Very low46.2Very low100 Ų100102.1 Ų102.161%0.61357%0.569SS**  trans-74.898.4158.419.40000105.4S772 S776S772-T774 VanDerWaalsContact C-N 3.26Å; S772-T774 PolarHBondContact O-N 2.88Å; T774-S776 PolarHBondContact O-N 3.31Å
775P36.7Very low44.1Very low111 Ų111104.1 Ų104.172%0.72159%0.591SS**PPolyproline II helixtrans-65.8128.8-178.8-8.127.6000106.1N773 S777N773-P775 WeakPolarHBondContact O-CD 3.39Å; P775-S777 PolarHBondContact O-N 2.62Å
776S41.7Very low42.2Very low90 Ų90101.1 Ų101.163%0.62958%0.577SS**PPolyproline II helixtrans-50.1117168.3-54.80000107.5T774T774-S776 PolarHBondContact O-N 3.31Å
777S49.3Very low41.2Very low13 Ų1399 Ų999%0.09157%0.565CS.*PPolyproline II helixtrans-55.4124.9175.440.80000108E655 P775 I779E655-S777 VanDerWaalsContact CD-CB 3.47Å; E655-S777 WeakPolarHBondContact OE1-CB 3.46Å; E655-S777 PolarHBondContact OE1-OG 3.09Å; E655-S777 WeakPolarHBondContact OE2-CB 3.49Å; E655-S777 PolarHBondContact OE2-OG 2.96Å; P775-S777 PolarHBondContact O-N 2.62Å; S777-I779 PolarHBondContact O-N 3.45Å
778P54.8Low41.1Very low77 Ų7799.6 Ų99.650%0.557%0.566SS.*PPolyproline II helixtrans-61.9133.2-179.723.9-31.6000108.6L478L478-P778 HydrophobicContact CD1-CG 4.11Å
779I54.5Low41Very low25 Ų25102 Ų10213%0.12856%0.56CS.*PPolyproline II helixtrans-48.8128.3165.7-65.8171.9000106.6A630 K647 L648 W651 S777 S781A630-I779 HydrophobicContact CB-CG2 4.3Å; K647-I779 HydrophobicContact CD-CD1 4.36Å; K647-I779 HydrophobicContact CG-CD1 3.99Å; L648-I779 HydrophobicContact CD2-CD1 3.75Å; L648-I779 HydrophobicContact CD2-CG1 4.02Å; W651-I779 HydrophobicContact CB-CD1 4.14Å; W651-I779 HydrophobicContact CB-CG1 3.66Å; W651-I779 HydrophobicContact CD2-CG1 4.01Å; W651-I779 HydrophobicContact CG-CB 4.39Å; W651-I779 HydrophobicContact CG-CD1 4.43Å; W651-I779 HydrophobicContact CG-CG1 3.46Å; W651-I779 VanDerWaalsContact CG-CG1 3.46Å; S777-I779 PolarHBondContact O-N 3.45Å; I779-S781 PolarHBondContact O-N 2.93Å
780P54.1Low41.4Very low20 Ų20102.5 Ų102.513%0.1356%0.557CS.*  trans-45.2120.1176.7-29.632.8000109.1A477 A630 W651 L782A477-P780 HydrophobicContact CB-CG 4.47Å; A630-P780 HydrophobicContact CB-CG 4.38Å; W651-P780 HydrophobicContact CH2-CG 3.91Å; W651-P780 HydrophobicContact CZ2-CG 3.64Å; P780-L782 PolarHBondContact O-N 3.24Å
781S45.6Very low41.6Very low97 Ų9796.1 Ų96.168%0.67854%0.54SS*.  trans-62.6110.5-171.374.20000108.9I779 K783I779-S781 PolarHBondContact O-N 2.93Å; S781-K783 PolarHBondContact O-N 2.78Å; S781-K783 VanDerWaalsContact O-N 3.09Å
782L43.5Very low41.9Very low86 Ų8692 Ų9245%0.4552%0.523SS..  trans-66-4167.2-72.1167.9000111.7V631 N634 P780 T784V631-L782 HydrophobicContact CG2-CD2 3.92Å; N634-L782 HydrophobicContact CB-CD1 4.06Å; N634-L782 WeakPolarHBondContact ND2-CD1 3.3Å; P780-L782 PolarHBondContact O-N 3.24Å; L782-T784 PolarHBondContact O-N 3.28Å
783K30.1Very low42.4Very low173 Ų17392 Ų9275%0.75252%0.523SS*.  trans-56.9112.1-179-74.5-173.3179.3176.70109S781 S785S781-K783 PolarHBondContact O-N 2.78Å; S781-K783 VanDerWaalsContact O-N 3.09Å; K783-S785 PolarHBondContact O-N 3.46Å
784T33.7Very low43.1Very low108 Ų10892.6 Ų92.666%0.66352%0.518SS*.  trans-58.313.7170.743.50000114.6L782 G786L782-T784 PolarHBondContact O-N 3.28Å; T784-G786 PolarHBondContact O-N 2.87Å; T784-G786 VanDerWaalsContact O-N 3.08Å
785S28.4Very low43.9Very low111 Ų11190.2 Ų90.278%0.77651%0.514SS*.  trans-88.246.4-172.6-164.20000112.3K783K783-S785 PolarHBondContact O-N 3.46Å
786G34.6Very low44.7Very low23 Ų2388.6 Ų88.624%0.23750%0.498CS..  trans-102.1120.4155.100000107.2T784 F788T784-G786 PolarHBondContact O-N 2.87Å; T784-G786 VanDerWaalsContact O-N 3.08Å; G786-F788 VanDerWaalsContact O-CD2 3.29Å; G786-F788 WeakPolarHBondContact O-CD2 3.45Å; G786-F788 PolarHBondContact O-N 2.95Å
787S36.5Very low45.6Very low70 Ų7090.4 Ų90.449%0.4949%0.492SS..  trans-67.366175.8174.90000110.4K802S787-K802 VanDerWaalsContact OG-CE 3.3Å; S787-K802 WeakPolarHBondContact OG-CE 3.48Å
788F43.2Very low46.2Very low127 Ų12794.4 Ų94.456%0.55751%0.512SS*.  trans-87.8117.5178.8-63.1-71.5000109.6G786 K790G786-F788 VanDerWaalsContact O-CD2 3.29Å; G786-F788 WeakPolarHBondContact O-CD2 3.45Å; G786-F788 PolarHBondContact O-N 2.95Å; F788-K790 PolarHBondContact O-N 3.49Å
789R40.6Very low46.1Very low185 Ų18594.1 Ų94.170%0.69851%0.512SS*.  trans-74.7106.5165.8-75.1-170.8-171.6-157.54.9108Y797 L798R789-Y797 HydrophobicContact CB-CD1 4.11Å; R789-Y797 HydrophobicContact CB-CG 4.36Å; R789-L798 CarbonylContact C-O 3.45Å; R789-L798 VanDerWaalsContact CA-O 3.31Å; R789-L798 WeakPolarHBondContact CA-O 3.39Å
790K46.4Very low46.1Very low137 Ų13796.2 Ų96.260%0.59653%0.527SS*.EExtended strand (participates in β ladder)trans-85.2116.1171.1-177.7174-178.8174.80108.8F788 I792 Y797 L798F788-K790 PolarHBondContact O-N 3.49Å; K790-I792 PolarHBondContact O-N 2.82Å; K790-Y797 CarbonylContact O-C 3.46Å; K790-Y797 WeakPolarHBondContact O-CA 3.26Å; K790-L798 HydrophobicContact CB-CB 4.41Å; K790-L798 PolarHBondContact N-O 2.98Å; K790-L798 PolarHBondContact O-N 3.24Å
791A47.9Very low46.3Very low60 Ų60102.9 Ų102.950%0.49656%0.561SS.*EExtended strand (participates in β ladder)trans-63.7127.2171.800000109.6I796 Y797A791-I796 WeakPolarHBondContact CA-O 3.34Å; A791-Y797 HydrophobicContact CB-CD1 3.88Å; A791-Y797 HydrophobicContact CB-CE1 3.81Å
792I48.4Very low46.9Very low104 Ų104104.6 Ų104.653%0.53356%0.556SS.*EExtended strand (participates in β ladder)trans-94.4-37.5170.3-38.2175.4000109.9K790 I796 L798K790-I792 PolarHBondContact O-N 2.82Å; I792-I796 HydrophobicContact CB-CG2 4.41Å; I792-I796 HydrophobicContact CD1-CG2 3.85Å; I792-I796 HydrophobicContact CG1-CG2 4.24Å; I792-I796 PolarHBondContact N-O 2.82Å; I792-L798 HydrophobicContact CD1-CD1 3.58Å; I792-L798 HydrophobicContact CD1-CD2 3.5Å; I792-L798 VanDerWaalsContact CD1-CD2 3.5Å; I792-L798 HydrophobicContact CD1-CG 3.27Å; I792-L798 HydrophobicContact CG1-CB 4.48Å; I792-L798 HydrophobicContact CG1-CD1 3.6Å; I792-L798 HydrophobicContact CG1-CD2 4.25Å; I792-L798 HydrophobicContact CG1-CG 3.44Å; I792-L798 VanDerWaalsContact CG1-CG 3.44Å
793S47.6Very low47.3Very low61 Ų61107.3 Ų107.343%0.42758%0.579SS.*EExtended strand (participates in β ladder)trans-155.8176.1176.678.70000110G795 I796S793-G795 PolarHBondContact O-N 2.73Å; S793-G795 VanDerWaalsContact O-N 3.09Å; S793-I796 PolarHBondContact O-N 3.22Å
794K49Very low48.1Very low166 Ų166102.7 Ų102.772%0.72257%0.573SS**THydrogen-bonded Turntrans-51.3117.2172.2-71.1-175.5176.8-179.80110C543 I796C543-K794 PolarHBondContact SG-NZ 2.99Å; K794-I796 PolarHBondContact O-N 3.49Å
795G55.5Low48.5Very low50 Ų50101 Ų10152%0.51558%0.577SS.*THydrogen-bonded Turntrans82.4-7.317900000116.8S793S793-G795 PolarHBondContact O-N 2.73Å; S793-G795 VanDerWaalsContact O-N 3.09Å
796I54.4Low49.1Very low77 Ų77100.9 Ų100.940%0.39558%0.576SS.*EExtended strand (participates in β ladder)trans-115.2123.6-176.4-56.3-178.7000110.7A791 I792 S793 K794A791-I796 WeakPolarHBondContact CA-O 3.34Å; I792-I796 HydrophobicContact CB-CG2 4.41Å; I792-I796 HydrophobicContact CD1-CG2 3.85Å; I792-I796 HydrophobicContact CG1-CG2 4.24Å; I792-I796 PolarHBondContact N-O 2.82Å; S793-I796 PolarHBondContact O-N 3.22Å; K794-I796 PolarHBondContact O-N 3.49Å
797Y60.4Low49.7Very low128 Ų128106.2 Ų106.250%0.50261%0.607SS.*EExtended strand (participates in β ladder)trans-127.3137.1-177.8-56.6-93.4000111.7R789 K790 A791R789-Y797 HydrophobicContact CB-CD1 4.11Å; R789-Y797 HydrophobicContact CB-CG 4.36Å; K790-Y797 CarbonylContact O-C 3.46Å; K790-Y797 WeakPolarHBondContact O-CA 3.26Å; A791-Y797 HydrophobicContact CB-CD1 3.88Å; A791-Y797 HydrophobicContact CB-CE1 3.81Å
798L60.2Low50Low97 Ų97106.6 Ų106.651%0.50862%0.622SS.*EExtended strand (participates in β ladder)trans-92.5129.1168.1-66.1167.9000109.7R789 K790 I792R789-L798 CarbonylContact C-O 3.45Å; R789-L798 VanDerWaalsContact CA-O 3.31Å; R789-L798 WeakPolarHBondContact CA-O 3.39Å; K790-L798 HydrophobicContact CB-CB 4.41Å; K790-L798 PolarHBondContact N-O 2.98Å; K790-L798 PolarHBondContact O-N 3.24Å; I792-L798 HydrophobicContact CD1-CD1 3.58Å; I792-L798 HydrophobicContact CD1-CD2 3.5Å; I792-L798 VanDerWaalsContact CD1-CD2 3.5Å; I792-L798 HydrophobicContact CD1-CG 3.27Å; I792-L798 HydrophobicContact CG1-CB 4.48Å; I792-L798 HydrophobicContact CG1-CD1 3.6Å; I792-L798 HydrophobicContact CG1-CD2 4.25Å; I792-L798 HydrophobicContact CG1-CG 3.44Å; I792-L798 VanDerWaalsContact CG1-CG 3.44Å
799S54.4Low50.1Low71 Ų71103.6 Ų103.650%0.49763%0.627SS.*  trans-129.4143.6167.157.80000110.1L801S799-L801 PolarHBondContact O-N 2.61Å
800P53.7Low50.3Low69 Ų69102.2 Ų102.245%0.44864%0.639SS.*  trans-55.2135168-2131.9000110.6K802P800-K802 PolarHBondContact O-N 2.86Å
801L57.9Low50.6Low160 Ų160102.2 Ų102.284%0.83864%0.644SS**  trans-64.7115.8177.6-175.566.8000109.2S799S799-L801 PolarHBondContact O-N 2.61Å
802K58Low51Low133 Ų133110.5 Ų110.558%0.57866%0.663SS**  trans-69.4127.9176.5-66.7-176.1-180-177.90109.2S787 P800 A804S787-K802 VanDerWaalsContact OG-CE 3.3Å; S787-K802 WeakPolarHBondContact OG-CE 3.48Å; P800-K802 PolarHBondContact O-N 2.86Å; K802-A804 PolarHBondContact O-N 2.97Å
803P51.6Low51.7Low144 Ų144110.3 Ų110.394%0.93567%0.668SS**SBendtrans-72.2-8.4-179.424.4-30.8000114.6
804A46.8Very low52.8Low75 Ų75111.3 Ų111.362%0.6267%0.668SS**SBendtrans-120.4126.7179.200000110.9K802 S806K802-A804 PolarHBondContact O-N 2.97Å; A804-S806 PolarHBondContact O-N 2.91Å
805G43.1Very low54.1Low73 Ų73112.3 Ų112.375%0.75367%0.667SS**  trans-69.4111.2-17800000112P807G805-P807 WeakPolarHBondContact O-CD 3.44Å
806S42Very low55.1Low108 Ų108113.5 Ų113.576%0.75566%0.657SS**  trans-86.2114.3156.2-67.80000108.2A804 G808A804-S806 PolarHBondContact O-N 2.91Å; S806-G808 PolarHBondContact O-N 3.13Å
807P46.8Very low56.2Low135 Ų135112.3 Ų112.388%0.87766%0.655SS**  trans-81.4100172.431.4-26.9000107.9G805G805-P807 WeakPolarHBondContact O-CD 3.44Å
808G43.2Very low56.4Low79 Ų79111.5 Ų111.581%0.81466%0.663SS**  trans-162.16.2179.800000116.3S806S806-G808 PolarHBondContact O-N 3.13Å
809G44.4Very low57.1Low64 Ų64116 Ų11666%0.6668%0.682SS**  trans-103.1130.2173.900000111I811G809-I811 PolarHBondContact O-N 3.27Å; G809-I811 VanDerWaalsContact O-N 3.15Å
810T45.6Very low58.1Low155 Ų155123.1 Ų123.195%0.95170%0.698SS**SBendtrans-61.9-1217035.40000113.5
811I51.2Low59.3Low138 Ų138121 Ų12171%0.70868%0.684SS**SBendtrans-96.9116.1176.6-56.9175.8000108.9G809 P813G809-I811 PolarHBondContact O-N 3.27Å; G809-I811 VanDerWaalsContact O-N 3.15Å; I811-P813 VanDerWaalsContact O-CD 3.31Å; I811-P813 WeakPolarHBondContact O-CD 3.43Å
812R56.8Low60.4Low234 Ų234117 Ų11788%0.88367%0.668SS**PPolyproline II helixtrans-58.1118.3169.4-88.8-172.1176.2-164.30.2109.1I814R812-I814 PolarHBondContact O-N 2.91Å
813P64.2Low61.4Low99 Ų99115.2 Ų115.264%0.64367%0.668SS**PPolyproline II helixtrans-70.1127-179.326.3-31.8000110.6I811I811-P813 VanDerWaalsContact O-CD 3.31Å; I811-P813 WeakPolarHBondContact O-CD 3.43Å
814I70.8Confident62.7Low83 Ų83116 Ų11643%0.42666%0.656SS.*PPolyproline II helixtrans-84.1128170.4-53.8177000108.2R812 I829 V832R812-I814 PolarHBondContact O-N 2.91Å; I814-I829 HydrophobicContact CB-CG1 4.16Å; I814-I829 HydrophobicContact CG2-CD1 4.05Å; I814-I829 HydrophobicContact CG2-CG1 3.49Å; I814-I829 VanDerWaalsContact CG2-CG1 3.49Å; I814-V832 HydrophobicContact CD1-CB 4.22Å; I814-V832 HydrophobicContact CD1-CG2 3.48Å; I814-V832 VanDerWaalsContact CD1-CG2 3.48Å
815R75.8Confident64.1Low187 Ų187115.7 Ų115.771%0.70664%0.642SS**  trans-112135.4179.4-64.7179.8-179.5158.40109.2
816Y77Confident65.6Low75 Ų75115.1 Ų115.129%0.29462%0.622SS.*  trans-126.6122168.9179.2-96.3000108.8V818 S821 E825 L826 I829Y816-V818 HydrophobicContact CE1-CG2 4.22Å; Y816-S821 VanDerWaalsContact CE2-CB 3.42Å; Y816-S821 WeakPolarHBondContact CE2-O 3.19Å; Y816-E825 HydrophobicContact CD2-CB 4.16Å; Y816-L826 HydrophobicContact CD1-CD2 3.7Å; Y816-L826 HydrophobicContact CD1-CG 4.3Å; Y816-L826 HydrophobicContact CD2-CD2 3.85Å; Y816-L826 HydrophobicContact CD2-CG 3.73Å; Y816-L826 HydrophobicContact CE1-CD1 4.08Å; Y816-L826 HydrophobicContact CE1-CD2 3.78Å; Y816-L826 HydrophobicContact CE1-CG 4.03Å; Y816-L826 HydrophobicContact CE2-CD1 3.9Å; Y816-L826 HydrophobicContact CE2-CD2 3.96Å; Y816-L826 HydrophobicContact CE2-CG 3.46Å; Y816-L826 VanDerWaalsContact CE2-CG 3.46Å; Y816-L826 HydrophobicContact CG-CD2 3.72Å; Y816-L826 HydrophobicContact CG-CG 4.15Å; Y816-L826 WeakPolarHBondContact OH-CD1 3.47Å; Y816-I829 HydrophobicContact CG-CD1 4.46Å
817S76.3Confident67.2Low52 Ų52117.5 Ų117.536%0.36461%0.614SS.*  trans-102.2120.4172.3176.20000108.5E819 R820 S821S817-E819 PolarHBondContact O-N 3.32Å; S817-R820 PolarHBondContact O-N 3.12Å; S817-S821 PolarHBondContact N-OG 3.36Å; S817-S821 WeakPolarHBondContact O-CB 3.26Å; S817-S821 PolarHBondContact O-N 2.97Å
818V65.4Low68.6Low110 Ų110113.1 Ų113.167%0.66759%0.589SS**THydrogen-bonded Turntrans-53.9131.9173.1-1690000108Y816 R820Y816-V818 HydrophobicContact CE1-CG2 4.22Å; V818-R820 VanDerWaalsContact C-N 3.26Å; V818-R820 PolarHBondContact O-N 3.12Å
819E73.6Confident70.1Confident192 Ų192111.7 Ų111.790%0.89756%0.562SS**THydrogen-bonded Turntrans70.8-14.4-175-52.8177.3168.800117.9S817S817-E819 PolarHBondContact O-N 3.32Å
820R76.3Confident71.4Confident221 Ų221112.6 Ų112.683%0.83455%0.552SS**THydrogen-bonded Turntrans-108.8-32.3179.9-62.2-175.8178.3-156.2-1.4113.9S817 V818S817-R820 PolarHBondContact O-N 3.12Å; V818-R820 VanDerWaalsContact C-N 3.26Å; V818-R820 PolarHBondContact O-N 3.12Å
821S78.9Confident72.6Confident24 Ų24109.5 Ų109.517%0.16853%0.53CS..SBendtrans-87.4135.3179.4-80.50000110.9Y816 S817 E825Y816-S821 VanDerWaalsContact CE2-CB 3.42Å; Y816-S821 WeakPolarHBondContact CE2-O 3.19Å; S817-S821 PolarHBondContact N-OG 3.36Å; S817-S821 WeakPolarHBondContact O-CB 3.26Å; S817-S821 PolarHBondContact O-N 2.97Å; S821-E825 WeakPolarHBondContact CB-OE2 3.44Å; S821-E825 PolarHBondContact OG-OE2 3.12Å
822P81.4Confident73.5Confident77 Ų77106 Ų10650%0.552%0.515SS..  trans-65.7146.6174.824.3-30.6000111.5K824 E825P822-K824 PolarHBondContact O-N 3.44Å; P822-E825 HydrophobicContact CG-CG 4.14Å; P822-E825 WeakPolarHBondContact O-CB 3.34Å; P822-E825 PolarHBondContact O-N 2.87Å
823V79Confident73.9Confident95 Ų9598.5 Ų98.558%0.57650%0.495SS*.Hα-helixtrans-56-24.1-179.2177.30000113.1E825 L826V823-E825 PolarHBondContact O-N 3.06Å; V823-L826 WeakPolarHBondContact O-CB 3.13Å; V823-L826 PolarHBondContact O-N 3.47Å; V823-L826 VanDerWaalsContact O-N 3.11Å
824K78.2Confident73.8Confident159 Ų15999.1 Ų99.169%0.69149%0.489SS*.Hα-helixtrans-59.7-30.5174.4-169.2178.8177.2-176.30112.4P822 R827 A828P822-K824 PolarHBondContact O-N 3.44Å; K824-R827 WeakPolarHBondContact O-CB 3.45Å; K824-R827 PolarHBondContact O-N 3.36Å; K824-A828 PolarHBondContact O-N 3.45Å
825E75.6Confident73.3Confident70 Ų7098.1 Ų98.133%0.32749%0.487SS..Hα-helixtrans-69.5-31.2176.2-69.6179-177.300112.4Y816 S821 P822 V823 R827 A828 I829Y816-E825 HydrophobicContact CD2-CB 4.16Å; S821-E825 WeakPolarHBondContact CB-OE2 3.44Å; S821-E825 PolarHBondContact OG-OE2 3.12Å; P822-E825 HydrophobicContact CG-CG 4.14Å; P822-E825 WeakPolarHBondContact O-CB 3.34Å; P822-E825 PolarHBondContact O-N 2.87Å; V823-E825 PolarHBondContact O-N 3.06Å; E825-R827 VanDerWaalsContact C-N 3.28Å; E825-R827 PolarHBondContact O-N 2.88Å; E825-A828 WeakPolarHBondContact O-CB 3.44Å; E825-A828 PolarHBondContact O-N 3.16Å; E825-I829 WeakPolarHBondContact O-CG1 3.29Å; E825-I829 PolarHBondContact O-N 2.89Å
826L76.1Confident72.5Confident60 Ų6092.3 Ų92.331%0.31447%0.472SS..Hα-helixtrans-63.6-35.6171.5-72.5171.6000111.7Y816 V823 A828 I829 N830Y816-L826 HydrophobicContact CD1-CD2 3.7Å; Y816-L826 HydrophobicContact CD1-CG 4.3Å; Y816-L826 HydrophobicContact CD2-CD2 3.85Å; Y816-L826 HydrophobicContact CD2-CG 3.73Å; Y816-L826 HydrophobicContact CE1-CD1 4.08Å; Y816-L826 HydrophobicContact CE1-CD2 3.78Å; Y816-L826 HydrophobicContact CE1-CG 4.03Å; Y816-L826 HydrophobicContact CE2-CD1 3.9Å; Y816-L826 HydrophobicContact CE2-CD2 3.96Å; Y816-L826 HydrophobicContact CE2-CG 3.46Å; Y816-L826 VanDerWaalsContact CE2-CG 3.46Å; Y816-L826 HydrophobicContact CG-CD2 3.72Å; Y816-L826 HydrophobicContact CG-CG 4.15Å; Y816-L826 WeakPolarHBondContact OH-CD1 3.47Å; V823-L826 WeakPolarHBondContact O-CB 3.13Å; V823-L826 PolarHBondContact O-N 3.47Å; V823-L826 VanDerWaalsContact O-N 3.11Å; L826-A828 VanDerWaalsContact C-N 3.34Å; L826-I829 PolarHBondContact O-N 3.44Å; L826-N830 VanDerWaalsContact O-CG 3.27Å; L826-N830 PolarHBondContact O-N 3.31Å; L826-N830 PolarHBondContact O-OD1 2.95Å
827R75.3Confident71.3Confident159 Ų15991 Ų9160%0.648%0.477SS*.Hα-helixtrans-64.9-39.3174.1-59.6-173-158.7144.74111.6K824 E825 I829 N830 N831K824-R827 WeakPolarHBondContact O-CB 3.45Å; K824-R827 PolarHBondContact O-N 3.36Å; E825-R827 VanDerWaalsContact C-N 3.28Å; E825-R827 PolarHBondContact O-N 2.88Å; R827-I829 VanDerWaalsContact C-N 3.33Å; R827-I829 PolarHBondContact O-N 3.24Å; R827-N830 PolarHBondContact O-N 3.45Å; R827-N831 PolarHBondContact O-N 2.76Å; R827-N831 PolarHBondContact O-OD1 2.99Å
828A75Confident69.9Low43 Ų4392.7 Ų92.736%0.35548%0.482SS..Hα-helixtrans-63.9-39175.300000111.9K824 E825 L826 N831 V832K824-A828 PolarHBondContact O-N 3.45Å; E825-A828 WeakPolarHBondContact O-CB 3.44Å; E825-A828 PolarHBondContact O-N 3.16Å; L826-A828 VanDerWaalsContact C-N 3.34Å; A828-N831 PolarHBondContact O-N 3.32Å; A828-V832 WeakPolarHBondContact O-CG2 2.85Å; A828-V832 PolarHBondContact O-N 3.36Å
829I74.9Confident69Low48 Ų4895.2 Ų95.225%0.24648%0.479CS..Hα-helixtrans-63.1-46.8173-66.6171.9000110.7I814 Y816 E825 L826 R827 N831 V832 V833I814-I829 HydrophobicContact CB-CG1 4.16Å; I814-I829 HydrophobicContact CG2-CD1 4.05Å; I814-I829 HydrophobicContact CG2-CG1 3.49Å; I814-I829 VanDerWaalsContact CG2-CG1 3.49Å; Y816-I829 HydrophobicContact CG-CD1 4.46Å; E825-I829 WeakPolarHBondContact O-CG1 3.29Å; E825-I829 PolarHBondContact O-N 2.89Å; L826-I829 PolarHBondContact O-N 3.44Å; R827-I829 VanDerWaalsContact C-N 3.33Å; R827-I829 PolarHBondContact O-N 3.24Å; I829-N831 PolarHBondContact O-N 2.72Å; I829-V832 PolarHBondContact O-N 3.15Å; I829-V833 WeakPolarHBondContact O-CG2 3.17Å; I829-V833 PolarHBondContact O-N 3.47Å
830N72.7Confident67.7Low84 Ų8490.1 Ų90.145%0.44946%0.457SS..Hα-helixtrans-58.8-46.1176.9-70.7-9.5000111.4L826 R827 V832 V833 E834L826-N830 VanDerWaalsContact O-CG 3.27Å; L826-N830 PolarHBondContact O-N 3.31Å; L826-N830 PolarHBondContact O-OD1 2.95Å; R827-N830 PolarHBondContact O-N 3.45Å; N830-V832 VanDerWaalsContact C-N 3.3Å; N830-V832 PolarHBondContact O-N 3.5Å; N830-V833 PolarHBondContact O-N 3.47Å; N830-V833 VanDerWaalsContact O-N 3.1Å; N830-E834 WeakPolarHBondContact O-CB 3.45Å; N830-E834 WeakPolarHBondContact O-CG 3.41Å; N830-E834 PolarHBondContact O-N 2.97Å
831N71.2Confident65.8Low90 Ų9083.9 Ų83.948%0.48144%0.441SS..Hα-helixtrans-60.9-37176.9-693000112.3R827 A828 I829 T835R827-N831 PolarHBondContact O-N 2.76Å; R827-N831 PolarHBondContact O-OD1 2.99Å; A828-N831 PolarHBondContact O-N 3.32Å; I829-N831 PolarHBondContact O-N 2.72Å; N831-T835 WeakPolarHBondContact O-CB 3.4Å; N831-T835 VanDerWaalsContact O-CG2 3.29Å; N831-T835 WeakPolarHBondContact O-CG2 3.49Å; N831-T835 PolarHBondContact O-N 3Å; N831-T835 PolarHBondContact O-OG1 3.19Å
832V68.4Low63.5Low65 Ų6589.2 Ų89.239%0.39446%0.463SS..Hα-helixtrans-67.9-39.8174.7169.70000111.3I814 A828 I829 N830 T835 T836I814-V832 HydrophobicContact CD1-CB 4.22Å; I814-V832 HydrophobicContact CD1-CG2 3.48Å; I814-V832 VanDerWaalsContact CD1-CG2 3.48Å; A828-V832 WeakPolarHBondContact O-CG2 2.85Å; A828-V832 PolarHBondContact O-N 3.36Å; I829-V832 PolarHBondContact O-N 3.15Å; N830-V832 VanDerWaalsContact C-N 3.3Å; N830-V832 PolarHBondContact O-N 3.5Å; V832-T835 WeakPolarHBondContact CA-OG1 3.44Å; V832-T835 PolarHBondContact O-OG1 3.08Å; V832-T836 VanDerWaalsContact O-CB 3.27Å; V832-T836 WeakPolarHBondContact O-CB 3.36Å; V832-T836 PolarHBondContact O-N 3.4Å; V832-T836 PolarHBondContact O-OG1 3.4Å
833V66.8Low61.1Low76 Ų7695.7 Ų95.746%0.46148%0.477SS..Hα-helixtrans-65.5-43.4175.3175.50000110.9I829 N830 T836 A837I829-V833 WeakPolarHBondContact O-CG2 3.17Å; I829-V833 PolarHBondContact O-N 3.47Å; N830-V833 PolarHBondContact O-N 3.47Å; N830-V833 VanDerWaalsContact O-N 3.1Å; V833-T836 PolarHBondContact O-N 2.9Å; V833-A837 WeakPolarHBondContact O-CB 3.31Å; V833-A837 PolarHBondContact O-N 3.12Å
834E61.5Low58.8Low111 Ų11195.4 Ų95.452%0.51948%0.476SS..Hα-helixtrans-60.7-54.5175.8-74.6171.9-174.100111.2N830 T836 A837 D838N830-E834 WeakPolarHBondContact O-CB 3.45Å; N830-E834 WeakPolarHBondContact O-CG 3.41Å; N830-E834 PolarHBondContact O-N 2.97Å; E834-T836 VanDerWaalsContact C-N 3.26Å; E834-T836 PolarHBondContact O-N 3.24Å; E834-A837 CarbonylContact O-C 3.59Å; E834-A837 WeakPolarHBondContact O-CA 3.44Å; E834-A837 WeakPolarHBondContact O-CB 3.38Å; E834-A837 PolarHBondContact O-N 3.14Å; E834-A837 VanDerWaalsContact O-N 3.08Å; E834-D838 PolarHBondContact O-N 2.72Å
835T60.2Low56.2Low62 Ų6295 Ų9538%0.3848%0.479SS..Hα-helixtrans-64.2-28.7178.853.10000113.2N831 V832 R839N831-T835 WeakPolarHBondContact O-CB 3.4Å; N831-T835 VanDerWaalsContact O-CG2 3.29Å; N831-T835 WeakPolarHBondContact O-CG2 3.49Å; N831-T835 PolarHBondContact O-N 3Å; N831-T835 PolarHBondContact O-OG1 3.19Å; V832-T835 WeakPolarHBondContact CA-OG1 3.44Å; V832-T835 PolarHBondContact O-OG1 3.08Å; T835-R839 WeakPolarHBondContact O-CB 3.17Å; T835-R839 VanDerWaalsContact O-CG 3.24Å; T835-R839 WeakPolarHBondContact O-CG 3.42Å; T835-R839 PolarHBondContact O-N 2.92Å
836T58.4Low54Low66 Ų6696.5 Ų96.541%0.40550%0.496SS..Hα-helixtrans-73.9-39173.9-52.20000110.9V832 V833 E834 D838 R839 I840V832-T836 VanDerWaalsContact O-CB 3.27Å; V832-T836 WeakPolarHBondContact O-CB 3.36Å; V832-T836 PolarHBondContact O-N 3.4Å; V832-T836 PolarHBondContact O-OG1 3.4Å; V833-T836 PolarHBondContact O-N 2.9Å; E834-T836 VanDerWaalsContact C-N 3.26Å; E834-T836 PolarHBondContact O-N 3.24Å; T836-D838 VanDerWaalsContact C-N 3.34Å; T836-R839 PolarHBondContact O-N 3.29Å; T836-I840 HydrophobicContact CG2-CD1 4.33Å; T836-I840 WeakPolarHBondContact O-CD1 3.39Å; T836-I840 VanDerWaalsContact O-CG1 3.22Å; T836-I840 WeakPolarHBondContact O-CG1 3.4Å; T836-I840 PolarHBondContact O-N 3.34Å
837A53.2Low51.7Low46 Ų4698 Ų9838%0.3851%0.508SS..Hα-helixtrans-62.7-41.9171.800000111.2V833 E834 I840 N841V833-A837 WeakPolarHBondContact O-CB 3.31Å; V833-A837 PolarHBondContact O-N 3.12Å; E834-A837 CarbonylContact O-C 3.59Å; E834-A837 WeakPolarHBondContact O-CA 3.44Å; E834-A837 WeakPolarHBondContact O-CB 3.38Å; E834-A837 PolarHBondContact O-N 3.14Å; E834-A837 VanDerWaalsContact O-N 3.08Å; A837-I840 PolarHBondContact O-N 3.12Å; A837-N841 VanDerWaalsContact O-CG 3.3Å; A837-N841 PolarHBondContact O-N 2.66Å; A837-N841 PolarHBondContact O-ND2 3.46Å
838D46.7Very low49.3Very low89 Ų8998.9 Ų98.948%0.47652%0.519SS..Hα-helixtrans-66.9-40.3176.5-68.1-25.3000112.1E834 T836 I840 N841 E842E834-D838 PolarHBondContact O-N 2.72Å; T836-D838 VanDerWaalsContact C-N 3.34Å; D838-I840 VanDerWaalsContact C-N 3.31Å; D838-I840 PolarHBondContact O-N 2.83Å; D838-N841 CarbonylContact O-C 3.47Å; D838-N841 WeakPolarHBondContact O-CA 3.34Å; D838-N841 WeakPolarHBondContact O-CB 3.39Å; D838-N841 PolarHBondContact O-N 3.12Å; D838-E842 PolarHBondContact O-N 3.23Å
839R46.1Very low46.9Very low163 Ų163103.8 Ų103.862%0.61554%0.544SS*.Hα-helixtrans-66-32.3173.7-76.5177.6-160.4-174.95.7113.1T835 T836 N841 R843T835-R839 WeakPolarHBondContact O-CB 3.17Å; T835-R839 VanDerWaalsContact O-CG 3.24Å; T835-R839 WeakPolarHBondContact O-CG 3.42Å; T835-R839 PolarHBondContact O-N 2.92Å; T836-R839 PolarHBondContact O-N 3.29Å; R839-N841 VanDerWaalsContact C-N 3.32Å; R839-R843 WeakPolarHBondContact O-CB 3.49Å; R839-R843 WeakPolarHBondContact O-CG 3.21Å; R839-R843 PolarHBondContact O-N 3.41Å
840I46.6Very low44.4Very low84 Ų84104.6 Ų104.643%0.43156%0.564SS.*Hα-helixtrans-65.5-43.2170.8-68.7164000108.4T836 A837 D838 R843 T844T836-I840 HydrophobicContact CG2-CD1 4.33Å; T836-I840 WeakPolarHBondContact O-CD1 3.39Å; T836-I840 VanDerWaalsContact O-CG1 3.22Å; T836-I840 WeakPolarHBondContact O-CG1 3.4Å; T836-I840 PolarHBondContact O-N 3.34Å; A837-I840 PolarHBondContact O-N 3.12Å; D838-I840 VanDerWaalsContact C-N 3.31Å; D838-I840 PolarHBondContact O-N 2.83Å; I840-R843 PolarHBondContact O-N 2.73Å; I840-T844 PolarHBondContact O-N 2.97Å; I840-T844 VanDerWaalsContact O-N 3.09Å; I840-T844 PolarHBondContact O-OG1 2.92Å
841N35.7Very low42.2Very low91 Ų91109.3 Ų109.349%0.48759%0.589SS.*Hα-helixtrans-63.8-43.8175.8-66.8-24.5000111.9A837 D838 R839 R843 T844 M845A837-N841 VanDerWaalsContact O-CG 3.3Å; A837-N841 PolarHBondContact O-N 2.66Å; A837-N841 PolarHBondContact O-ND2 3.46Å; D838-N841 CarbonylContact O-C 3.47Å; D838-N841 WeakPolarHBondContact O-CA 3.34Å; D838-N841 WeakPolarHBondContact O-CB 3.39Å; D838-N841 PolarHBondContact O-N 3.12Å; R839-N841 VanDerWaalsContact C-N 3.32Å; N841-R843 PolarHBondContact O-N 3.01Å; N841-T844 CarbonylContact O-C 3.56Å; N841-T844 WeakPolarHBondContact O-CA 3.44Å; N841-T844 WeakPolarHBondContact O-CB 3.33Å; N841-T844 PolarHBondContact O-N 3.33Å; N841-M845 WeakPolarHBondContact O-CB 3.23Å; N841-M845 WeakPolarHBondContact O-CG 3.46Å; N841-M845 PolarHBondContact O-N 2.97Å
842E30.9Very low40Very low135 Ų135109.5 Ų109.563%0.63160%0.602SS**Hα-helixtrans-63.1-41.4177.8-77.6179.6168.300112.9D838 T844 M845 S846D838-E842 PolarHBondContact O-N 3.23Å; E842-T844 PolarHBondContact O-N 3.42Å; E842-M845 PolarHBondContact O-N 2.95Å; E842-M845 VanDerWaalsContact O-N 3.09Å; E842-S846 PolarHBondContact O-N 3.42Å
843R30.7Very low37.9Very low213 Ų213118.4 Ų118.480%0.80463%0.629SS**Hα-helixtrans-66.4-20.9172.2-76-179.3177.6178.9-1.7113.1R839 I840 N841R839-R843 WeakPolarHBondContact O-CB 3.49Å; R839-R843 WeakPolarHBondContact O-CG 3.21Å; R839-R843 PolarHBondContact O-N 3.41Å; I840-R843 PolarHBondContact O-N 2.73Å; N841-R843 PolarHBondContact O-N 3.01Å
844T31.3Very low35.9Very low90 Ų90121.1 Ų121.155%0.55265%0.646SS**Hα-helixtrans-87.1-24.8172.5-37.90000111.2I840 N841 E842I840-T844 PolarHBondContact O-N 2.97Å; I840-T844 VanDerWaalsContact O-N 3.09Å; I840-T844 PolarHBondContact O-OG1 2.92Å; N841-T844 CarbonylContact O-C 3.56Å; N841-T844 WeakPolarHBondContact O-CA 3.44Å; N841-T844 WeakPolarHBondContact O-CB 3.33Å; N841-T844 PolarHBondContact O-N 3.33Å; E842-T844 PolarHBondContact O-N 3.42Å
845M23.2Very low34.2Very low151 Ų151121.4 Ų121.474%0.74466%0.657SS**Hα-helixtrans-82.6-15.2-178.3-73.1-76.5-69.300114.5N841 E842 T847N841-M845 WeakPolarHBondContact O-CB 3.23Å; N841-M845 WeakPolarHBondContact O-CG 3.46Å; N841-M845 PolarHBondContact O-N 2.97Å; E842-M845 PolarHBondContact O-N 2.95Å; E842-M845 VanDerWaalsContact O-N 3.09Å; M845-T847 PolarHBondContact O-N 3.14Å
846S28.4Very low32.6Very low100 Ų100123.6 Ų123.670%0.69968%0.675SS**THydrogen-bonded Turntrans-74.7-0.2174.170.20000113.4E842E842-S846 PolarHBondContact O-N 3.42Å
847T27.7Very low31Very low92 Ų92126.5 Ų126.556%0.56470%0.696SS**SBendtrans-134.5108.8174.453.20000109.6M845M845-T847 PolarHBondContact O-N 3.14Å
848H25Very low29.7Very low177 Ų177135.8 Ų135.882%0.81972%0.721SS**  trans80.890.4169.5-71.1-84.8000119.1
849V25Very low29Very low146 Ų146142.8 Ų142.889%0.88574%0.741SS**  trans9.6108.4133.8-168.30000117
850G23.9Very low28Very low65 Ų65143 Ų14367%0.6775%0.751SS**  trans81.172.3132.400000119.1
851L25.5Very low27.1Very low184 Ų184146.1 Ų146.196%0.96377%0.768SS**  trans-142142.8149.6-80178.2000111.5
852A24.9Very low26.6Very low93 Ų93151 Ų15177%0.76979%0.786SS**  trans-67.8155.3-158.700000116.2V854A852-V854 PolarHBondContact O-N 3.24Å
853R24.6Very low26.4Very low252 Ų252147 Ų14795%0.95178%0.781SS**  trans-42112.2175.1-76.2172.8163.5150.3-4113.3
854V25.5Very low26.3Very low134 Ų134142.8 Ų142.881%0.81278%0.78SS**PPolyproline II helixtrans-99122.2160.5-175.50000108.8A852 S856A852-V854 PolarHBondContact O-N 3.24Å; V854-S856 PolarHBondContact O-N 3.45Å
855P25.1Very low25.9Very low116 Ų116149.8 Ų149.875%0.75380%0.798SS**PPolyproline II helixtrans-69128-175.7-15.428.8000112.3C857P855-C857 PolarHBondContact O-N 2.94Å
856S27.1Very low26Very low109 Ų109154.1 Ų154.176%0.76281%0.806SS**PPolyproline II helixtrans-49.9124.2172.2-1800000112.5V854 R858V854-S856 PolarHBondContact O-N 3.45Å; S856-R858 PolarHBondContact O-N 2.82Å
857C24.1Very low25.8Very low127 Ų127152.7 Ų152.786%0.85881%0.807SS**  trans-61.695.3169.6-77.20000110.4P855 R859P855-C857 PolarHBondContact O-N 2.94Å; C857-R859 PolarHBondContact O-N 3.49Å
858R26.5Very low25.6Very low240 Ų240151.2 Ų151.291%0.90681%0.811SS**  trans-59.4103.1170.4-65.9-179.4-172.3-136.50.9110.1S856S856-R858 PolarHBondContact O-N 2.82Å
859R32.4Very low25.6Very low237 Ų237149.8 Ų149.889%0.89481%0.814SS**  trans-100.696.2166.3-159.5175.7-90.6176.3-6108.8C857 L861C857-R859 PolarHBondContact O-N 3.49Å; R859-L861 PolarHBondContact O-N 3.48Å
860M24.5Very low25.6Very low167 Ų167148.2 Ų148.282%0.82381%0.81SS**  trans-61.3116.4173.2-71.1-153.3-66.400110.1F862M860-F862 PolarHBondContact O-N 2.73Å
861L27.9Very low25.8Very low150 Ų150153.6 Ų153.679%0.78582%0.818SS**  trans-83.1102.7162.1-75.6166.3000107.9R859R859-L861 PolarHBondContact O-N 3.48Å
862F24.9Very low26Very low194 Ų194151.3 Ų151.385%0.85181%0.807SS**  trans51.485.4165.7-58.3-80.2000116.2M860M860-F862 PolarHBondContact O-N 2.73Å
863G25.4Very low26.5Very low51 Ų51151.9 Ų151.953%0.52680%0.797SS.*  trans-68.3144153.400000110.2Y865G863-Y865 PolarHBondContact O-N 3.13Å
864P28.9Very low27Very low123 Ų123143.7 Ų143.780%0.79978%0.783SS**  trans-69.2128.3-170.727.2-32.3000111.3R866P864-R866 PolarHBondContact O-N 3.03Å
865Y23.4Very low27.4Very low237 Ų237145.5 Ų145.593%0.92978%0.782SS**  trans-58.898.6161.1-116.4-98.8000108.2G863 G867G863-Y865 PolarHBondContact O-N 3.13Å; Y865-G867 VanDerWaalsContact C-N 3.27Å; Y865-G867 PolarHBondContact O-N 3.16Å; Y865-G867 VanDerWaalsContact O-N 3.15Å
866R26.1Very low27.8Very low243 Ų243145.3 Ų145.392%0.91777%0.771SS**  trans-79.384.4160.3-90.6-163.7-172.6-120.15.7107.9P864P864-R866 PolarHBondContact O-N 3.03Å
867G22.6Very low28.1Very low69 Ų69147.2 Ų147.271%0.71177%0.768SS**  trans-83.7130.4150.900000108.4Y865Y865-G867 VanDerWaalsContact C-N 3.27Å; Y865-G867 PolarHBondContact O-N 3.16Å; Y865-G867 VanDerWaalsContact O-N 3.15Å
868G23.9Very low28.7Very low62 Ų62145.5 Ų145.564%0.63975%0.754SS**SBendtrans120101167.700000115.2
869T24.6Very low29Very low146 Ų146140.4 Ų140.490%0.89674%0.74SS**  trans6191.8148.860.30000118.5
870S26.2Very low29.2Very low114 Ų114137.2 Ų137.280%0.79773%0.728SS**  -172.4104.6118.4-171.70000108.2
871Q27.6Very low29.6Very low177 Ų177136.9 Ų136.983%0.82772%0.722SS**  trans-59.4149.8159.3-77.7-179.7-23.900108.6
872N30.5Very low29.9Very low137 Ų137135.6 Ų135.673%0.73371%0.714SS**  trans82.191.2179.7-52.2-24.4000114.4
873N35Very low30.4Very low105 Ų105133.5 Ų133.556%0.56171%0.707SS**  trans-174.9-0.4137.2-91.2-25000115.9Q876 Q877N873-Q876 PolarHBondContact OD1-OE1 3.02Å; N873-Q877 PolarHBondContact O-N 2.88Å
874A34.1Very low30.8Very low80 Ų80138.7 Ų138.766%0.66172%0.718SS**Hα-helixtrans-69.9-34.7174.100000113.3Q876 Q877A874-Q876 PolarHBondContact O-N 2.93Å; A874-Q877 PolarHBondContact O-N 3.36Å
875H33.7Very low31Very low171 Ų171141.7 Ų141.779%0.79272%0.718SS**Hα-helixtrans-71.7-25.9176.7-91.9-80.2000113.7
876Q34.8Very low31.3Very low113 Ų113138.4 Ų138.453%0.52871%0.711SS.*Hα-helixtrans-79.3-25.4177-76.4-171.30.100113.4N873 A874 R880N873-Q876 PolarHBondContact OD1-OE1 3.02Å; A874-Q876 PolarHBondContact O-N 2.93Å; Q876-R880 PolarHBondContact O-N 2.91Å; Q876-R880 VanDerWaalsContact O-N 3.1Å
877Q32.8Very low31.7Very low148 Ų148133.1 Ų133.169%0.69271%0.706SS**Hα-helixtrans-73.8-27.7176.8-94.2-175.82.400113.4N873 A874 K881N873-Q877 PolarHBondContact O-N 2.88Å; A874-Q877 PolarHBondContact O-N 3.36Å; Q877-K881 PolarHBondContact O-N 3.32Å
878V35.9Very low32Very low92 Ų92133.7 Ų133.756%0.55871%0.712SS**Hα-helixtrans-72.8-40.9174-178.30000110.5R880 K881 I882V878-R880 PolarHBondContact O-N 3.18Å; V878-K881 PolarHBondContact O-N 3.25Å; V878-I882 HydrophobicContact CG1-CD1 4.45Å; V878-I882 PolarHBondContact O-N 2.86Å
879H34.3Very low32.1Very low132 Ų132134.3 Ų134.361%0.61172%0.718SS**Hα-helixtrans-66-35.2175.3-102.2-81000113.5I882 Q883H879-I882 PolarHBondContact O-N 2.98Å; H879-Q883 PolarHBondContact O-N 3.36Å
880R35Very low32.1Very low171 Ų171134 Ų13465%0.64572%0.716SS**Hα-helixtrans-71-27.6176.6-76.7-172.4-172.2175.14.7113.8Q876 V878Q876-R880 PolarHBondContact O-N 2.91Å; Q876-R880 VanDerWaalsContact O-N 3.1Å; V878-R880 PolarHBondContact O-N 3.18Å
881K33.3Very low32Very low160 Ų160138.2 Ų138.270%0.69672%0.719SS**Hα-helixtrans-76.9-25.6175.3-84.6-172.3173-175.80113.4Q877 V878Q877-K881 PolarHBondContact O-N 3.32Å; V878-K881 PolarHBondContact O-N 3.25Å
882I35.4Very low32Very low122 Ų122142.7 Ų142.763%0.62674%0.74SS**Hα-helixtrans-74.9-30174.8-65.1171.4000111.1V878 H879V878-I882 HydrophobicContact CG1-CD1 4.45Å; V878-I882 PolarHBondContact O-N 2.86Å; H879-I882 PolarHBondContact O-N 2.98Å
883Q35.5Very low32.1Very low151 Ų151143 Ų14371%0.70674%0.741SS**G310 helixtrans-80.9-11.2177.3-75.6-177.4-16.300114.9H879H879-Q883 PolarHBondContact O-N 3.36Å
884Q33.4Very low31.9Very low160 Ų160144.9 Ų144.975%0.74875%0.75SS**G310 helixtrans-88.60.7179.9-77.7-175.4-22.700114.5
885F32.7Very low31.8Very low185 Ų185148.6 Ų148.681%0.81176%0.755SS**G310 helixtrans-9511175.3-99.1-77.1000114.6
886H30.8Very low31.7Very low168 Ų168147.2 Ų147.278%0.77875%0.753SS**SBendtrans-130.8142.7171.3-91.651.8000111
887V33.9Very low31.5Very low133 Ų133149.4 Ų149.481%0.80677%0.767SS**  trans85.360.5175.9-154.90000115
888G28.1Very low31.4Very low81 Ų81149.5 Ų149.584%0.83577%0.772SS**  trans-76.8136.3134.700000109.3
889G27.5Very low31.1Very low74 Ų74153.6 Ų153.676%0.76379%0.787SS**  trans101.787.2157.500000116.5
890V23.5Very low30.9Very low141 Ų141155.2 Ų155.286%0.85580%0.801SS**  trans-90.4113.3142.5172.50000106.6
891K25Very low30.5Very low201 Ų201153.9 Ų153.987%0.87481%0.814SS**  trans-156.2112.5152.5-85.4-162.5178.9178.60108.6
892Q27.4Very low30.3Very low271 Ų271153.4 Ų153.4100%1.26682%0.824SS**  trans51.30164-78.1178-27.400118

Retrieved 892 of 892 residues in 312.3 ms (Link to these results)

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