A0A096N386_PAPAN Loading...

Tetratricopeptide repeat domain 14

AlphaFold DB , UniProt , Accession A0A096N386, Species PAPAN (Papio anubis, Olive baboon), Gene TTC14, Length 771 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
1M71.9Confident78.6Confident33 Ų3374.5 Ų74.516%0.16335%0.352CS..  0152.70-62.1169.8-179.900109.1N28 F31 L34 A72 D73 F76M1-N28 WeakPolarHBondContact CE-ND2 3.43Å; M1-F31 HydrophobicContact CE-CB 3.99Å; M1-F31 HydrophobicContact CE-CD2 4.12Å; M1-F31 HydrophobicContact SD-CD2 4.05Å; M1-L34 HydrophobicContact CB-CD1 3.83Å; M1-L34 HydrophobicContact CG-CD1 4.24Å; M1-L34 HydrophobicContact SD-CD1 3.89Å; M1-A72 HydrophobicContact CE-CB 4.34Å; M1-D73 WeakPolarHBondContact CE-OD1 3.35Å; M1-F76 CarbonylContact C-O 3.57Å; M1-F76 VanDerWaalsContact C-O 3.28Å; M1-F76 WeakPolarHBondContact CA-O 3.19Å; M1-F76 HydrophobicContact CB-CB 3.9Å; M1-F76 WeakPolarHBondContact CB-O 3.46Å; M1-F76 HydrophobicContact CG-CB 4.18Å
2D78.6Confident78.6Confident44 Ų4476.4 Ų76.424%0.23538%0.377CS..  trans-61.5136162.3-172.7-13.2000109.7D4 L5 F76 L78D2-D4 PolarHBondContact OD1-N 2.75Å; D2-L5 HydrophobicContact CB-CB 4.38Å; D2-L5 HydrophobicContact CB-CD1 4.28Å; D2-L5 WeakPolarHBondContact OD2-CD1 3.49Å; D2-L5 VanDerWaalsContact OD2-CG 3.31Å; D2-L5 WeakPolarHBondContact OD2-CG 3.05Å; D2-F76 PolarHBondContact N-O 3.45Å; D2-L78 HydrophobicContact CB-CD2 4.03Å
3R75.9Confident78.5Confident141 Ų14175.2 Ų75.253%0.53237%0.37SS..Hα-helixtrans-86.8-32.1-179.9-64-170.1172.6-156.4-4.5112.1R7 L34R3-R7 VanDerWaalsContact O-CB 3.28Å; R3-R7 WeakPolarHBondContact O-CB 3.48Å; R3-R7 PolarHBondContact O-N 3.41Å; R3-L34 HydrophobicContact CG-CD2 3.72Å
4D76.7Confident78.5Confident94 Ų9472.2 Ų72.250%0.50337%0.368SS..Hα-helixtrans-83.2-38.3-172.4-72.1-40000111.6D2 L6 R7 Q8D2-D4 PolarHBondContact OD1-N 2.75Å; D4-L6 VanDerWaalsContact C-N 3.34Å; D4-L6 PolarHBondContact O-N 2.91Å; D4-R7 PolarHBondContact O-N 3.34Å; D4-Q8 WeakPolarHBondContact O-CB 3.39Å; D4-Q8 WeakPolarHBondContact O-CG 3.47Å; D4-Q8 PolarHBondContact O-N 2.92Å
5L79.1Confident78.4Confident75 Ų7574.1 Ų74.139%0.39339%0.39SS..Hα-helixtrans-62.7-39.1168.5-68.1174.5000112.5D2 S9 F76D2-L5 HydrophobicContact CB-CB 4.38Å; D2-L5 HydrophobicContact CB-CD1 4.28Å; D2-L5 WeakPolarHBondContact OD2-CD1 3.49Å; D2-L5 VanDerWaalsContact OD2-CG 3.31Å; D2-L5 WeakPolarHBondContact OD2-CG 3.05Å; L5-S9 WeakPolarHBondContact O-CB 3.2Å; L5-S9 PolarHBondContact O-N 2.76Å; L5-S9 PolarHBondContact O-OG 3.36Å; L5-F76 HydrophobicContact CB-CD1 3.76Å; L5-F76 HydrophobicContact CB-CE1 4.22Å
6L81Confident78.5Confident5 Ų572.4 Ų72.43%0.02639%0.386CS..Hα-helixtrans-62.4-45172.9-171.986.4000110.7D4 S9 L10 L21 F31 A38 F76D4-L6 VanDerWaalsContact C-N 3.34Å; D4-L6 PolarHBondContact O-N 2.91Å; L6-S9 PolarHBondContact O-OG 2.95Å; L6-L10 HydrophobicContact CD2-CD1 4.35Å; L6-L10 HydrophobicContact CG-CD1 4.07Å; L6-L10 WeakPolarHBondContact O-CB 3.34Å; L6-L10 VanDerWaalsContact O-CG 3.26Å; L6-L10 WeakPolarHBondContact O-CG 3.45Å; L6-L10 PolarHBondContact O-N 3.26Å; L6-L21 HydrophobicContact CD1-CD1 4.44Å; L6-F31 HydrophobicContact CD1-CE2 4.48Å; L6-A38 HydrophobicContact CD2-CB 4.5Å; L6-F76 HydrophobicContact CD1-CD2 3.64Å; L6-F76 HydrophobicContact CD1-CE2 3.68Å; L6-F76 HydrophobicContact CD1-CG 4.28Å; L6-F76 HydrophobicContact CD1-CZ 4.32Å
7R78.9Confident78.6Confident140 Ų14068.1 Ų68.153%0.52836%0.364SS..Hα-helixtrans-66.6-41179.4-168.9179.4-172.1-169.84112.3R3 D4 N11R3-R7 VanDerWaalsContact O-CB 3.28Å; R3-R7 WeakPolarHBondContact O-CB 3.48Å; R3-R7 PolarHBondContact O-N 3.41Å; D4-R7 PolarHBondContact O-N 3.34Å; R7-N11 WeakPolarHBondContact O-CB 3.22Å; R7-N11 PolarHBondContact O-N 3.34Å; R7-N11 PolarHBondContact O-ND2 2.88Å
8Q80.8Confident78.8Confident114 Ų11466.8 Ų66.853%0.53336%0.356SS..Hα-helixtrans-63.9-48.1176.4-72.6172.130.500111.5D4 L10 N11 C12D4-Q8 WeakPolarHBondContact O-CB 3.39Å; D4-Q8 WeakPolarHBondContact O-CG 3.47Å; D4-Q8 PolarHBondContact O-N 2.92Å; Q8-L10 PolarHBondContact O-N 3.28Å; Q8-N11 WeakPolarHBondContact O-CB 3.45Å; Q8-N11 PolarHBondContact O-N 3.28Å; Q8-C12 PolarHBondContact O-N 3.01Å; Q8-C12 PolarHBondContact O-SG 3.08Å; Q8-C12 VanDerWaalsContact O-SG 3.32Å
9S80.6Confident78.9Confident19 Ų1966.8 Ų66.813%0.13336%0.362CS..Hα-helixtrans-65.2-37.8178.255.60000112.9L5 L6 C12 H13 F76L5-S9 WeakPolarHBondContact O-CB 3.2Å; L5-S9 PolarHBondContact O-N 2.76Å; L5-S9 PolarHBondContact O-OG 3.36Å; L6-S9 PolarHBondContact O-OG 2.95Å; S9-C12 PolarHBondContact O-N 3.31Å; S9-H13 PolarHBondContact O-CD2 3.39Å; S9-H13 PolarHBondContact O-N 3.27Å; S9-F76 WeakPolarHBondContact OG-CE1 3.37Å; S9-F76 WeakPolarHBondContact OG-CZ 3.42Å
10L80.3Confident79.1Confident27 Ų2765.1 Ų65.114%0.14135%0.353CS..Hα-helixtrans-65.2-38.1171.3-75173.2000112.8L6 Q8 C12 G14 L17 L18 L21L6-L10 HydrophobicContact CD2-CD1 4.35Å; L6-L10 HydrophobicContact CG-CD1 4.07Å; L6-L10 WeakPolarHBondContact O-CB 3.34Å; L6-L10 VanDerWaalsContact O-CG 3.26Å; L6-L10 WeakPolarHBondContact O-CG 3.45Å; L6-L10 PolarHBondContact O-N 3.26Å; Q8-L10 PolarHBondContact O-N 3.28Å; L10-C12 VanDerWaalsContact C-N 3.28Å; L10-C12 PolarHBondContact O-N 3.46Å; L10-G14 VanDerWaalsContact O-CA 3.29Å; L10-G14 WeakPolarHBondContact O-CA 3.41Å; L10-G14 PolarHBondContact O-N 3.1Å; L10-L17 HydrophobicContact CD2-CD2 4.46Å; L10-L17 HydrophobicContact CD2-CG 4.35Å; L10-L18 HydrophobicContact CD2-CB 3.85Å; L10-L18 HydrophobicContact CD2-CD1 4.26Å; L10-L18 HydrophobicContact CD2-CG 4.34Å; L10-L21 HydrophobicContact CD2-CD1 3.99Å
11N80.3Confident79.2Confident128 Ų12862.1 Ų62.168%0.68434%0.336SS*.Hα-helixtrans-65.3-30.9173.6-73.3-19000112.5R7 Q8R7-N11 WeakPolarHBondContact O-CB 3.22Å; R7-N11 PolarHBondContact O-N 3.34Å; R7-N11 PolarHBondContact O-ND2 2.88Å; Q8-N11 WeakPolarHBondContact O-CB 3.45Å; Q8-N11 PolarHBondContact O-N 3.28Å
12C79Confident79.5Confident97 Ų9766.1 Ų66.166%0.65535%0.35SS*.Hα-helixtrans-79.9-41178.4-690000113.8Q8 S9 L10Q8-C12 PolarHBondContact O-N 3.01Å; Q8-C12 PolarHBondContact O-SG 3.08Å; Q8-C12 VanDerWaalsContact O-SG 3.32Å; S9-C12 PolarHBondContact O-N 3.31Å; L10-C12 VanDerWaalsContact C-N 3.28Å; L10-C12 PolarHBondContact O-N 3.46Å
13H76.9Confident79.5Confident60 Ų6067.7 Ų67.728%0.27836%0.364SS..Hα-helixtrans-105.4-8.5-174.1-62.6-62.2000115.1S9 L17 Q65S9-H13 PolarHBondContact O-CD2 3.39Å; S9-H13 PolarHBondContact O-N 3.27Å; H13-L17 HydrophobicContact CB-CB 3.7Å; H13-L17 HydrophobicContact CB-CD2 3.84Å; H13-L17 HydrophobicContact CB-CG 4.41Å; H13-Q65 HydrophobicContact CB-CG 4.47Å
14G79.6Confident79.6Confident34 Ų3463.4 Ų63.435%0.35135%0.35SS..Hα-helixtrans64.5-153.9173.600000115.3L10 S16 L17 L18L10-G14 VanDerWaalsContact O-CA 3.29Å; L10-G14 WeakPolarHBondContact O-CA 3.41Å; L10-G14 PolarHBondContact O-N 3.1Å; G14-S16 VanDerWaalsContact C-N 3.28Å; G14-S16 PolarHBondContact O-N 3.41Å; G14-L17 PolarHBondContact O-N 3Å; G14-L18 PolarHBondContact O-N 3.34Å
15S76.3Confident79.4Confident100 Ų10059 Ų5970%0.69933%0.326SS*.Hα-helixtrans-66.9-22-171.9500000114.7L18 S19S15-L18 PolarHBondContact O-N 2.75Å; S15-S19 PolarHBondContact O-N 3.43Å; S15-S19 PolarHBondContact O-OG 3.26Å
16S79.5Confident78.9Confident47 Ų4761.9 Ų61.933%0.32934%0.338SS..Hα-helixtrans-66.4-44177.4-175.90000111.9G14 L18 S19 L20 Q65G14-S16 VanDerWaalsContact C-N 3.28Å; G14-S16 PolarHBondContact O-N 3.41Å; S16-L18 VanDerWaalsContact C-N 3.32Å; S16-L18 PolarHBondContact O-N 3.35Å; S16-S19 PolarHBondContact O-OG 3.49Å; S16-L20 WeakPolarHBondContact O-CG 3.37Å; S16-L20 PolarHBondContact O-N 3.05Å; S16-Q65 VanDerWaalsContact CB-OE1 3.24Å; S16-Q65 PolarHBondContact OG-OE1 3.15Å
17L81.2Confident78.1Confident0 Ų067.7 Ų67.70%037%0.369CS..Hα-helixtrans-67.3-35.3173.2178.960.1000111.4L10 H13 G14 L20 L21 Q65 I68L10-L17 HydrophobicContact CD2-CD2 4.46Å; L10-L17 HydrophobicContact CD2-CG 4.35Å; H13-L17 HydrophobicContact CB-CB 3.7Å; H13-L17 HydrophobicContact CB-CD2 3.84Å; H13-L17 HydrophobicContact CB-CG 4.41Å; G14-L17 PolarHBondContact O-N 3Å; L17-L20 PolarHBondContact O-N 3.18Å; L17-L21 HydrophobicContact CD1-CD1 4.18Å; L17-L21 HydrophobicContact CD1-CG 4.13Å; L17-L21 HydrophobicContact CD2-CD1 4.47Å; L17-L21 HydrophobicContact CG-CD1 3.84Å; L17-L21 HydrophobicContact CG-CG 4.3Å; L17-L21 VanDerWaalsContact O-CB 3.29Å; L17-L21 WeakPolarHBondContact O-CB 3.39Å; L17-L21 VanDerWaalsContact O-CG 3.3Å; L17-L21 WeakPolarHBondContact O-CG 3.42Å; L17-L21 PolarHBondContact O-N 3.34Å; L17-Q65 HydrophobicContact CD1-CB 4.35Å; L17-Q65 WeakPolarHBondContact CD1-O 3.49Å; L17-I68 HydrophobicContact CD1-CB 4.01Å; L17-I68 HydrophobicContact CD1-CG2 3.89Å; L17-I68 HydrophobicContact CD2-CG2 4.05Å
18L81.4Confident77.6Confident44 Ų4461.8 Ų61.823%0.2335%0.348CS..Hα-helixtrans-66.6-37.9-179.9-167.9147.4000112.9L10 G14 S15 S16 R22L10-L18 HydrophobicContact CD2-CB 3.85Å; L10-L18 HydrophobicContact CD2-CD1 4.26Å; L10-L18 HydrophobicContact CD2-CG 4.34Å; G14-L18 PolarHBondContact O-N 3.34Å; S15-L18 PolarHBondContact O-N 2.75Å; S16-L18 VanDerWaalsContact C-N 3.32Å; S16-L18 PolarHBondContact O-N 3.35Å; L18-R22 HydrophobicContact CD2-CG 4.49Å; L18-R22 WeakPolarHBondContact O-CG 3.41Å; L18-R22 PolarHBondContact O-N 2.77Å
19S81.4Confident76.9Confident67 Ų6760.7 Ų60.747%0.46935%0.351SS..Hα-helixtrans-71.5-42.2175.260.70000112S15 S16 R22 S23S15-S19 PolarHBondContact O-N 3.43Å; S15-S19 PolarHBondContact O-OG 3.26Å; S16-S19 PolarHBondContact O-OG 3.49Å; S19-R22 PolarHBondContact O-N 3Å; S19-S23 PolarHBondContact O-N 2.99Å; S19-S23 PolarHBondContact O-OG 3.21Å
20L82.3Confident76.1Confident33 Ų3365.5 Ų65.517%0.17337%0.371CS..Hα-helixtrans-59.6-48.8173.8-72.2170.7000111.6S16 L17 R22 S23 E24 Q65 K66S16-L20 WeakPolarHBondContact O-CG 3.37Å; S16-L20 PolarHBondContact O-N 3.05Å; L17-L20 PolarHBondContact O-N 3.18Å; L20-R22 PolarHBondContact O-N 3.41Å; L20-S23 PolarHBondContact O-N 3.23Å; L20-S23 VanDerWaalsContact O-N 3.09Å; L20-S23 PolarHBondContact O-OG 3.42Å; L20-E24 PolarHBondContact O-N 3Å; L20-Q65 HydrophobicContact CD1-CB 3.79Å; L20-K66 HydrophobicContact CD1-CG 4.2Å; L20-K66 HydrophobicContact CD2-CG 4.31Å
21L80.6Confident75.7Confident2 Ų264.7 Ų64.71%0.0137%0.366CS..Hα-helixtrans-55.2-48.2173.3-80.6166.6000111.7L6 L10 L17 S23 E24 Q25 F31 A72L6-L21 HydrophobicContact CD1-CD1 4.44Å; L10-L21 HydrophobicContact CD2-CD1 3.99Å; L17-L21 HydrophobicContact CD1-CD1 4.18Å; L17-L21 HydrophobicContact CD1-CG 4.13Å; L17-L21 HydrophobicContact CD2-CD1 4.47Å; L17-L21 HydrophobicContact CG-CD1 3.84Å; L17-L21 HydrophobicContact CG-CG 4.3Å; L17-L21 VanDerWaalsContact O-CB 3.29Å; L17-L21 WeakPolarHBondContact O-CB 3.39Å; L17-L21 VanDerWaalsContact O-CG 3.3Å; L17-L21 WeakPolarHBondContact O-CG 3.42Å; L17-L21 PolarHBondContact O-N 3.34Å; L21-S23 VanDerWaalsContact C-N 3.27Å; L21-S23 PolarHBondContact O-N 3.08Å; L21-E24 PolarHBondContact O-N 3.19Å; L21-Q25 HydrophobicContact CD2-CG 4.11Å; L21-Q25 WeakPolarHBondContact O-CA 3.38Å; L21-Q25 WeakPolarHBondContact O-CB 3.39Å; L21-Q25 PolarHBondContact O-N 3.22Å; L21-F31 HydrophobicContact CB-CE1 4.49Å; L21-F31 HydrophobicContact CB-CE2 4.22Å; L21-F31 HydrophobicContact CB-CZ 3.73Å; L21-F31 HydrophobicContact CD2-CE2 4.25Å; L21-A72 HydrophobicContact CD2-CB 3.65Å
22R78.7Confident75.1Confident117 Ų11767.8 Ų67.844%0.44237%0.368SS..Hα-helixtrans-58.5-36.9176.2-79.4178.8178178.60.8113L18 S19 L20 L35L18-R22 HydrophobicContact CD2-CG 4.49Å; L18-R22 WeakPolarHBondContact O-CG 3.41Å; L18-R22 PolarHBondContact O-N 2.77Å; S19-R22 PolarHBondContact O-N 3Å; L20-R22 PolarHBondContact O-N 3.41Å; R22-L35 HydrophobicContact CG-CD2 3.91Å
23S79.4Confident74.4Confident77 Ų7766.9 Ų66.954%0.53836%0.363SS..Hα-helixtrans-76.2-31.7-179.966.60000114.6S19 L20 L21S19-S23 PolarHBondContact O-N 2.99Å; S19-S23 PolarHBondContact O-OG 3.21Å; L20-S23 PolarHBondContact O-N 3.23Å; L20-S23 VanDerWaalsContact O-N 3.09Å; L20-S23 PolarHBondContact O-OG 3.42Å; L21-S23 VanDerWaalsContact C-N 3.27Å; L21-S23 PolarHBondContact O-N 3.08Å
24E77.3Confident73.8Confident52 Ų5264.5 Ų64.524%0.24335%0.352CS..Hα-helixtrans-102.2-21.7-176-66.8-176.5144.600113.5L20 L21 S69 K70 R282L20-E24 PolarHBondContact O-N 3Å; L21-E24 PolarHBondContact O-N 3.19Å; E24-S69 WeakPolarHBondContact OE2-CB 3.45Å; E24-S69 PolarHBondContact OE2-OG 2.97Å; E24-K70 WeakPolarHBondContact OE1-CE 3.47Å; E24-K70 WeakPolarHBondContact OE1-CG 3.49Å; E24-K70 IonicContact OE1-NZ 2.76Å; E24-K70 WeakPolarHBondContact OE2-CG 3.46Å; E24-K70 PolarHBondContact OE2-N 2.8Å; E24-R282 PolarHBondContact O-NH1 2.83Å; E24-R282 PolarHBondContact O-NH2 3.01Å
25Q72.9Confident72.9Confident0 Ų065.6 Ų65.60%035%0.35CS..SBendtrans-104.711.6-178.9-65-66.3-15.200114.1L21 D27 N28 F31 S69 A72 D73L21-Q25 HydrophobicContact CD2-CG 4.11Å; L21-Q25 WeakPolarHBondContact O-CA 3.38Å; L21-Q25 WeakPolarHBondContact O-CB 3.39Å; L21-Q25 PolarHBondContact O-N 3.22Å; Q25-D27 VanDerWaalsContact C-N 3.27Å; Q25-D27 PolarHBondContact O-N 3.44Å; Q25-N28 PolarHBondContact O-N 3.42Å; Q25-N28 VanDerWaalsContact O-N 3.15Å; Q25-F31 HydrophobicContact CB-CB 3.89Å; Q25-F31 HydrophobicContact CB-CD1 3.35Å; Q25-F31 HydrophobicContact CB-CD2 4.05Å; Q25-F31 HydrophobicContact CB-CE1 3.84Å; Q25-F31 HydrophobicContact CB-CE2 4.48Å; Q25-F31 HydrophobicContact CB-CG 3.47Å; Q25-F31 VanDerWaalsContact CB-CG 3.47Å; Q25-F31 HydrophobicContact CB-CZ 4.4Å; Q25-F31 HydrophobicContact CG-CD2 4.46Å; Q25-F31 HydrophobicContact CG-CG 4.31Å; Q25-S69 PolarHBondContact NE2-O 3.42Å; Q25-S69 VanDerWaalsContact NE2-O 3.08Å; Q25-A72 HydrophobicContact CG-CB 4.26Å; Q25-D73 VanDerWaalsContact CD-OD1 3.26Å; Q25-D73 VanDerWaalsContact NE2-CG 3.3Å; Q25-D73 PolarHBondContact NE2-OD1 3.19Å; Q25-D73 PolarHBondContact NE2-OD2 3.33Å; Q25-D73 PolarHBondContact OE1-OD1 3.37Å; Q25-D73 PolarHBondContact OE1-OD2 3.25Å
26Q68.4Low72Confident136 Ų13664.6 Ų64.664%0.63636%0.355SS*.THydrogen-bonded Turntrans-54.7-40179.5-177.9167-23.400113.2
27D63.8Low70.6Confident128 Ų12866.5 Ų66.568%0.68437%0.369SS*.THydrogen-bonded Turntrans-84.1-6.5-176.8-33.9-67.8000113.8Q25 P29 R282Q25-D27 VanDerWaalsContact C-N 3.27Å; Q25-D27 PolarHBondContact O-N 3.44Å; D27-P29 WeakPolarHBondContact O-CD 3.31Å; D27-R282 IonicContact OD2-NH2 3.43Å; D27-R282 PolarHBondContact OD2-NH2 3.29Å
28N68.8Low69.1Low16 Ų1669 Ų699%0.08639%0.389CS..  trans-83.4115.6179.8-177.9-12.1000110.5M1 Q25 H30 F31 R32 D73M1-N28 WeakPolarHBondContact CE-ND2 3.43Å; Q25-N28 PolarHBondContact O-N 3.42Å; Q25-N28 VanDerWaalsContact O-N 3.15Å; N28-H30 VanDerWaalsContact C-N 3.25Å; N28-H30 PolarHBondContact O-N 2.97Å; N28-H30 WeakPolarHBondContact OD1-CB 3.38Å; N28-H30 PolarHBondContact OD1-N 2.95Å; N28-F31 HydrophobicContact CB-CB 3.97Å; N28-F31 PolarHBondContact O-N 2.88Å; N28-F31 VanDerWaalsContact O-N 3.09Å; N28-R32 WeakPolarHBondContact O-CB 3.38Å; N28-R32 PolarHBondContact O-N 2.87Å; N28-D73 PolarHBondContact ND2-OD1 3.31Å
29P66.3Low67.5Low90 Ų9068.2 Ų68.258%0.58439%0.389SS*.Hα-helixtrans-61.2-31.4178.825.8-34.8000113.1D27 S33D27-P29 WeakPolarHBondContact O-CD 3.31Å; P29-S33 PolarHBondContact O-N 3.27Å; P29-S33 VanDerWaalsContact O-N 3.12Å; P29-S33 PolarHBondContact O-OG 3.28Å
30H64.6Low65.7Low121 Ų12173.1 Ų73.156%0.5641%0.405SS*.Hα-helixtrans-73.4-30.2176.4-58.2-71.6000112.9N28 S33 L34N28-H30 VanDerWaalsContact C-N 3.25Å; N28-H30 PolarHBondContact O-N 2.97Å; N28-H30 WeakPolarHBondContact OD1-CB 3.38Å; N28-H30 PolarHBondContact OD1-N 2.95Å; H30-S33 PolarHBondContact O-OG 3.48Å; H30-S33 VanDerWaalsContact O-OG 3.09Å; H30-L34 VanDerWaalsContact O-CD1 3.31Å; H30-L34 WeakPolarHBondContact O-CD1 3.41Å; H30-L34 WeakPolarHBondContact O-CG 3.38Å
31F71.1Confident63.8Low9 Ų977.4 Ų77.44%0.03943%0.434CS..Hα-helixtrans-78.1-39.6172.8-172.6-102.5000111.2M1 L6 L21 Q25 N28 S33 L34 L35M1-F31 HydrophobicContact CE-CB 3.99Å; M1-F31 HydrophobicContact CE-CD2 4.12Å; M1-F31 HydrophobicContact SD-CD2 4.05Å; L6-F31 HydrophobicContact CD1-CE2 4.48Å; L21-F31 HydrophobicContact CB-CE1 4.49Å; L21-F31 HydrophobicContact CB-CE2 4.22Å; L21-F31 HydrophobicContact CB-CZ 3.73Å; L21-F31 HydrophobicContact CD2-CE2 4.25Å; Q25-F31 HydrophobicContact CB-CB 3.89Å; Q25-F31 HydrophobicContact CB-CD1 3.35Å; Q25-F31 HydrophobicContact CB-CD2 4.05Å; Q25-F31 HydrophobicContact CB-CE1 3.84Å; Q25-F31 HydrophobicContact CB-CE2 4.48Å; Q25-F31 HydrophobicContact CB-CG 3.47Å; Q25-F31 VanDerWaalsContact CB-CG 3.47Å; Q25-F31 HydrophobicContact CB-CZ 4.4Å; Q25-F31 HydrophobicContact CG-CD2 4.46Å; Q25-F31 HydrophobicContact CG-CG 4.31Å; N28-F31 HydrophobicContact CB-CB 3.97Å; N28-F31 PolarHBondContact O-N 2.88Å; N28-F31 VanDerWaalsContact O-N 3.09Å; F31-S33 VanDerWaalsContact C-N 3.27Å; F31-S33 PolarHBondContact O-N 3.29Å; F31-L34 WeakPolarHBondContact O-CB 3.42Å; F31-L34 PolarHBondContact O-N 3.34Å; F31-L35 HydrophobicContact CD1-CD1 3.95Å; F31-L35 HydrophobicContact CD1-CG 4.12Å; F31-L35 HydrophobicContact CE1-CD1 3.73Å; F31-L35 HydrophobicContact CE1-CD2 3.88Å; F31-L35 HydrophobicContact CE1-CG 3.74Å; F31-L35 HydrophobicContact CZ-CD2 4.1Å; F31-L35 HydrophobicContact CZ-CG 4.27Å; F31-L35 PolarHBondContact O-N 3.44Å; F31-L35 VanDerWaalsContact O-N 3.14Å
32R67Low61.6Low193 Ų19382.5 Ų82.573%0.72847%0.466SS*.Hα-helixtrans-58.6-35.6176.1-170.5172.9177.2179.1-1.5112.7N28 L34N28-R32 WeakPolarHBondContact O-CB 3.38Å; N28-R32 PolarHBondContact O-N 2.87Å; R32-L34 VanDerWaalsContact C-N 3.34Å
33S65.1Low59.9Low79 Ų7989.4 Ų89.455%0.55249%0.492SS*.THydrogen-bonded Turntrans-74-20174.4680000114.4P29 H30 F31P29-S33 PolarHBondContact O-N 3.27Å; P29-S33 VanDerWaalsContact O-N 3.12Å; P29-S33 PolarHBondContact O-OG 3.28Å; H30-S33 PolarHBondContact O-OG 3.48Å; H30-S33 VanDerWaalsContact O-OG 3.09Å; F31-S33 VanDerWaalsContact C-N 3.27Å; F31-S33 PolarHBondContact O-N 3.29Å
34L64.6Low57.8Low9 Ų988.3 Ų88.35%0.04749%0.493CS..THydrogen-bonded Turntrans-84.2-32.1177-71.6164.8000112.8M1 R3 H30 F31 R32 G36 S37 A38M1-L34 HydrophobicContact CB-CD1 3.83Å; M1-L34 HydrophobicContact CG-CD1 4.24Å; M1-L34 HydrophobicContact SD-CD1 3.89Å; R3-L34 HydrophobicContact CG-CD2 3.72Å; H30-L34 VanDerWaalsContact O-CD1 3.31Å; H30-L34 WeakPolarHBondContact O-CD1 3.41Å; H30-L34 WeakPolarHBondContact O-CG 3.38Å; F31-L34 WeakPolarHBondContact O-CB 3.42Å; F31-L34 PolarHBondContact O-N 3.34Å; R32-L34 VanDerWaalsContact C-N 3.34Å; L34-G36 PolarHBondContact O-N 3.01Å; L34-G36 VanDerWaalsContact O-N 3.14Å; L34-S37 PolarHBondContact O-N 2.89Å; L34-S37 VanDerWaalsContact O-N 3.09Å; L34-A38 PolarHBondContact O-N 3.25Å
35L59.8Low55.8Low58 Ų5891.6 Ų91.630%0.30452%0.519SS..THydrogen-bonded Turntrans-57.2-27178.5-79.7171.2000113.9R22 F31 S37 A39R22-L35 HydrophobicContact CG-CD2 3.91Å; F31-L35 HydrophobicContact CD1-CD1 3.95Å; F31-L35 HydrophobicContact CD1-CG 4.12Å; F31-L35 HydrophobicContact CE1-CD1 3.73Å; F31-L35 HydrophobicContact CE1-CD2 3.88Å; F31-L35 HydrophobicContact CE1-CG 3.74Å; F31-L35 HydrophobicContact CZ-CD2 4.1Å; F31-L35 HydrophobicContact CZ-CG 4.27Å; F31-L35 PolarHBondContact O-N 3.44Å; F31-L35 VanDerWaalsContact O-N 3.14Å; L35-S37 VanDerWaalsContact C-N 3.3Å; L35-S37 PolarHBondContact O-N 3.19Å; L35-A39 WeakPolarHBondContact O-CB 3.43Å
36G57.3Low53.9Low78 Ų7897.1 Ų97.180%0.80456%0.555SS**THydrogen-bonded Turntrans-76.5-6.5178.100000115.7L34L34-G36 PolarHBondContact O-N 3.01Å; L34-G36 VanDerWaalsContact O-N 3.14Å
37S50.8Low52.4Low88 Ų8896.6 Ų96.662%0.61556%0.563SS**THydrogen-bonded Turntrans-140.9-25.9-174.6173.60000114.6L34 L35L34-S37 PolarHBondContact O-N 2.89Å; L34-S37 VanDerWaalsContact O-N 3.09Å; L35-S37 VanDerWaalsContact C-N 3.3Å; L35-S37 PolarHBondContact O-N 3.19Å
38A50.4Low51.2Low51 Ų5199.6 Ų99.642%0.42157%0.573SS.*SBendtrans-97.1-0.4179.600000114.2L6 L34L6-A38 HydrophobicContact CD2-CB 4.5Å; L34-A38 PolarHBondContact O-N 3.25Å
39A47.6Very low49.3Very low29 Ų29107.5 Ų107.524%0.2461%0.609CS.*SBendtrans-88.2-11.4-169.700000115.7L35L35-A39 WeakPolarHBondContact O-CB 3.43Å
40E43.5Very low47.8Very low169 Ų169108.6 Ų108.679%0.7962%0.616SS**SBendtrans-96.5122.5175.2-68.6-154147.400111.9T42E40-T42 PolarHBondContact O-N 3Å
41P41.4Very low46.3Very low123 Ų123111 Ų11180%0.79963%0.633SS**  trans-69.6104.5165.129.3-31.4000108.4R43P41-R43 PolarHBondContact O-N 3.38Å
42T35.2Very low44.6Very low110 Ų110120.4 Ų120.468%0.67568%0.677SS**  trans-57.3128-176.7-19.90000110.2E40 G44E40-T42 PolarHBondContact O-N 3Å; T42-G44 PolarHBondContact O-N 3.43Å
43R42Very low42.9Very low261 Ų261114.6 Ų114.699%0.98568%0.676SS**  trans-71.268.1172.9-76.4-175.2172.3-178.8-1.3111.3P41P41-R43 PolarHBondContact O-N 3.38Å
44G36.3Very low41.2Very low54 Ų54120.2 Ų120.256%0.55769%0.686SS**PPolyproline II helixtrans-85.3171.7169.800000112.7T42T42-G44 PolarHBondContact O-N 3.43Å
45P33.9Very low39.9Very low122 Ų122130.3 Ų130.379%0.79273%0.729SS**PPolyproline II helixtrans-61.6157.1172.727.9-34.9000111.6
46P33Very low38.8Very low115 Ų115133.5 Ų133.575%0.74774%0.743SS**PPolyproline II helixtrans-61.6146.7-174.225.8-35.3000112.2
47P38.5Very low38.1Very low125 Ų125138.8 Ų138.881%0.81274%0.743SS**PPolyproline II helixtrans-62.2143.8178.827-34.7000111
48Q37.1Very low38.1Very low191 Ų191145.7 Ų145.789%0.89376%0.756SS**PPolyproline II helixtrans-60.6151.5171-68.4-178.1-8.200110.4
49Q30.4Very low38.1Very low182 Ų182147.8 Ų147.885%0.8576%0.763SS**PPolyproline II helixtrans-60.6135.6-170.9-64.4175-5.300111.5
50P35.2Very low38.7Very low113 Ų113151 Ų15173%0.73478%0.777SS**PPolyproline II helixtrans-66.4140170.429.1-33.9000109.8Q52P50-Q52 PolarHBondContact O-N 3.14Å
51L32.1Very low40.2Very low173 Ų173146.8 Ų146.891%0.90676%0.759SS**PPolyproline II helixtrans-50.8127.3169.6-79.1152.8000109.7G53L51-G53 VanDerWaalsContact C-N 3.31Å; L51-G53 PolarHBondContact O-N 3.4Å
52Q36Very low42Very low206 Ų206145.2 Ų145.296%0.96374%0.743SS**SBendtrans-72.182.3-174.2-69173.6-52.700110.8P50P50-Q52 PolarHBondContact O-N 3.14Å
53G31.2Very low44.2Very low70 Ų70147.7 Ų147.772%0.72275%0.747SS**  trans-131.6-35.4-172.500000116.7L51L51-G53 VanDerWaalsContact C-N 3.31Å; L51-G53 PolarHBondContact O-N 3.4Å
54R29.4Very low46.1Very low198 Ų198139.1 Ų139.175%0.74772%0.72SS**  trans-146.4111.7179.2-92.2172.1-177.7-154.611112.5E56R54-E56 HydrophobicContact CB-CG 4.19Å; R54-E56 WeakPolarHBondContact CD-OE1 3.26Å; R54-E56 HydrophobicContact CG-CG 4.17Å; R54-E56 IonicContact CZ-OE1 3.78Å; R54-E56 IonicContact NE-OE1 3.88Å; R54-E56 IonicContact NH1-OE1 2.82Å; R54-E56 PolarHBondContact NH1-OE1 3.45Å; R54-E56 IonicContact NH1-OE2 3.74Å; R54-E56 PolarHBondContact O-N 3.2Å
55K35.8Very low48.3Very low221 Ų221136.6 Ų136.696%0.96169%0.694SS**  trans-84.560.8154.3-78.1-173177.1178.40109.1K57K55-K57 PolarHBondContact O-N 3.32Å
56E37.9Very low50.6Low125 Ų125135.1 Ų135.158%0.58468%0.675SS**  trans-65.1135.9165.5-81.5174.3162.300108.7R54 R58R54-E56 HydrophobicContact CB-CG 4.19Å; R54-E56 WeakPolarHBondContact CD-OE1 3.26Å; R54-E56 HydrophobicContact CG-CG 4.17Å; R54-E56 IonicContact CZ-OE1 3.78Å; R54-E56 IonicContact NE-OE1 3.88Å; R54-E56 IonicContact NH1-OE1 2.82Å; R54-E56 PolarHBondContact NH1-OE1 3.45Å; R54-E56 IonicContact NH1-OE2 3.74Å; R54-E56 PolarHBondContact O-N 3.2Å; E56-R58 PolarHBondContact O-N 3.19Å
57K42.4Very low52.9Low189 Ų189135.3 Ų135.382%0.82266%0.664SS**  trans-58.4127.1175.6-63.5172-177.7173.70106.5K55 V59K55-K57 PolarHBondContact O-N 3.32Å; K57-V59 HydrophobicContact CB-CG2 4.21Å; K57-V59 PolarHBondContact O-N 2.91Å
58R51.7Low55.1Low232 Ų232130.4 Ų130.488%0.87563%0.631SS**  trans-66.883.5164.5-70.5-172.6-174.7177.40.3107.5E56 D60E56-R58 PolarHBondContact O-N 3.19Å; R58-D60 PolarHBondContact O-N 3.04Å
59V49.4Very low57.3Low95 Ų95121.3 Ų121.358%0.57659%0.588SS**  trans-73.6103.4163.9-170.50000104.4K57 N61K57-V59 HydrophobicContact CB-CG2 4.21Å; K57-V59 PolarHBondContact O-N 2.91Å; V59-N61 WeakPolarHBondContact CG1-OD1 3.45Å; V59-N61 PolarHBondContact O-N 3.34Å
60D60.5Low59.7Low98 Ų98118.6 Ų118.652%0.52457%0.574SS.*  trans-65.980166.1-78.1-56.2000107.8R58 I62 Q65R58-D60 PolarHBondContact O-N 3.04Å; D60-I62 PolarHBondContact O-N 3.06Å; D60-Q65 PolarHBondContact OD1-NE2 2.88Å; D60-Q65 VanDerWaalsContact OD1-NE2 3.12Å
61N74.6Confident61.7Low79 Ų79116.1 Ų116.142%0.42255%0.552SS.*  trans-67.784.2173.1-84.3-22.1000107.4V59 E63 I64 Q65V59-N61 WeakPolarHBondContact CG1-OD1 3.45Å; V59-N61 PolarHBondContact O-N 3.34Å; N61-E63 PolarHBondContact O-N 3.17Å; N61-I64 HydrophobicContact CB-CB 4.01Å; N61-I64 HydrophobicContact CB-CD1 3.75Å; N61-I64 HydrophobicContact CB-CG1 3.84Å; N61-I64 WeakPolarHBondContact O-CA 3.45Å; N61-I64 WeakPolarHBondContact O-CB 3.32Å; N61-I64 PolarHBondContact O-N 3Å; N61-Q65 PolarHBondContact O-N 3.19Å
62I79.9Confident64Low90 Ų90107.9 Ų107.946%0.46251%0.508SS..Hα-helixtrans-52.1-29.7177.3-69.7160.9000110.6D60 Q65 K66D60-I62 PolarHBondContact O-N 3.06Å; I62-Q65 PolarHBondContact O-N 3.28Å; I62-K66 HydrophobicContact CG2-CD 3.89Å; I62-K66 VanDerWaalsContact CG2-CE 3.43Å; I62-K66 HydrophobicContact CG2-CG 4.34Å; I62-K66 VanDerWaalsContact O-CB 3.26Å; I62-K66 WeakPolarHBondContact O-CB 3.49Å; I62-K66 WeakPolarHBondContact O-CD 3.42Å; I62-K66 WeakPolarHBondContact O-CG 3.45Å; I62-K66 PolarHBondContact O-N 2.65Å
63E80.4Confident65.8Low162 Ų162100 Ų10076%0.75747%0.473SS*.Hα-helixtrans-66.8-41.9173.9-59.6-176.1161.300113N61 K66 F67N61-E63 PolarHBondContact O-N 3.17Å; E63-K66 PolarHBondContact O-N 3.31Å; E63-F67 WeakPolarHBondContact O-CB 3.24Å; E63-F67 PolarHBondContact O-N 3.08Å
64I82.1Confident67.8Low81 Ų81100 Ų10042%0.41546%0.456SS..Hα-helixtrans-67.7-42.5173.4-63.7177.6000109.9N61 K66 F67 I68N61-I64 HydrophobicContact CB-CB 4.01Å; N61-I64 HydrophobicContact CB-CD1 3.75Å; N61-I64 HydrophobicContact CB-CG1 3.84Å; N61-I64 WeakPolarHBondContact O-CA 3.45Å; N61-I64 WeakPolarHBondContact O-CB 3.32Å; N61-I64 PolarHBondContact O-N 3Å; I64-K66 PolarHBondContact O-N 3.01Å; I64-F67 PolarHBondContact O-N 3.44Å; I64-F67 VanDerWaalsContact O-N 3.17Å; I64-I68 HydrophobicContact CG2-CD1 3.83Å; I64-I68 HydrophobicContact CG2-CG1 4.39Å; I64-I68 VanDerWaalsContact O-CG1 3.3Å; I64-I68 WeakPolarHBondContact O-CG1 3.18Å; I64-I68 PolarHBondContact O-N 3.46Å
65Q82.1Confident70.2Confident1 Ų193.7 Ų93.71%0.00544%0.436CS..Hα-helixtrans-61.8-43.2176.7-63.1179.98.300111.4H13 S16 L17 L20 D60 N61 I62 I68 S69H13-Q65 HydrophobicContact CB-CG 4.47Å; S16-Q65 VanDerWaalsContact CB-OE1 3.24Å; S16-Q65 PolarHBondContact OG-OE1 3.15Å; L17-Q65 HydrophobicContact CD1-CB 4.35Å; L17-Q65 WeakPolarHBondContact CD1-O 3.49Å; L20-Q65 HydrophobicContact CD1-CB 3.79Å; D60-Q65 PolarHBondContact OD1-NE2 2.88Å; D60-Q65 VanDerWaalsContact OD1-NE2 3.12Å; N61-Q65 PolarHBondContact O-N 3.19Å; I62-Q65 PolarHBondContact O-N 3.28Å; Q65-I68 PolarHBondContact O-N 2.85Å; Q65-S69 PolarHBondContact O-N 3.24Å; Q65-S69 PolarHBondContact O-OG 3.24Å
66K82.7Confident72.2Confident92 Ų9283.7 Ų83.740%0.439%0.393SS..Hα-helixtrans-64.9-34.4172.6-76168.8179.6171.80113.3L20 I62 E63 I64 S69 K70L20-K66 HydrophobicContact CD1-CG 4.2Å; L20-K66 HydrophobicContact CD2-CG 4.31Å; I62-K66 HydrophobicContact CG2-CD 3.89Å; I62-K66 VanDerWaalsContact CG2-CE 3.43Å; I62-K66 HydrophobicContact CG2-CG 4.34Å; I62-K66 VanDerWaalsContact O-CB 3.26Å; I62-K66 WeakPolarHBondContact O-CB 3.49Å; I62-K66 WeakPolarHBondContact O-CD 3.42Å; I62-K66 WeakPolarHBondContact O-CG 3.45Å; I62-K66 PolarHBondContact O-N 2.65Å; E63-K66 PolarHBondContact O-N 3.31Å; I64-K66 PolarHBondContact O-N 3.01Å; K66-S69 WeakPolarHBondContact CA-OG 3.48Å; K66-S69 PolarHBondContact O-OG 3.49Å; K66-K70 WeakPolarHBondContact O-CB 3.22Å; K66-K70 WeakPolarHBondContact O-CG 3.44Å; K66-K70 PolarHBondContact O-N 3.04Å; K66-K70 VanDerWaalsContact O-N 3.13Å
67F82.4Confident73.9Confident119 Ų11979.3 Ų79.352%0.52238%0.378SS..Hα-helixtrans-66.9-46.6174.5178.1-94.3000110.6E63 I64 S69 K70 K71 L75E63-F67 WeakPolarHBondContact O-CB 3.24Å; E63-F67 PolarHBondContact O-N 3.08Å; I64-F67 PolarHBondContact O-N 3.44Å; I64-F67 VanDerWaalsContact O-N 3.17Å; F67-S69 PolarHBondContact O-N 3.05Å; F67-K70 PolarHBondContact O-N 3.11Å; F67-K71 HydrophobicContact CD2-CG 4.5Å; F67-K71 HydrophobicContact CE2-CG 4.16Å; F67-K71 HydrophobicContact CZ-CG 4.29Å; F67-K71 WeakPolarHBondContact O-CB 3.36Å; F67-K71 PolarHBondContact O-N 2.98Å; F67-L75 HydrophobicContact CD1-CD1 4.3Å; F67-L75 HydrophobicContact CE1-CD1 4.06Å; F67-L75 HydrophobicContact CE1-CD2 4.46Å
68I84.4Confident75.1Confident21 Ų2176.9 Ų76.911%0.10837%0.374CS..Hα-helixtrans-61.4-44.2178-64.9165.6000110.7L17 I64 Q65 K71 A72 L75 F76L17-I68 HydrophobicContact CD1-CB 4.01Å; L17-I68 HydrophobicContact CD1-CG2 3.89Å; L17-I68 HydrophobicContact CD2-CG2 4.05Å; I64-I68 HydrophobicContact CG2-CD1 3.83Å; I64-I68 HydrophobicContact CG2-CG1 4.39Å; I64-I68 VanDerWaalsContact O-CG1 3.3Å; I64-I68 WeakPolarHBondContact O-CG1 3.18Å; I64-I68 PolarHBondContact O-N 3.46Å; Q65-I68 PolarHBondContact O-N 2.85Å; I68-K71 CarbonylContact O-C 3.55Å; I68-K71 PolarHBondContact O-N 2.99Å; I68-A72 WeakPolarHBondContact O-CA 3.37Å; I68-A72 WeakPolarHBondContact O-CB 3.49Å; I68-A72 PolarHBondContact O-N 3.03Å; I68-L75 HydrophobicContact CB-CD1 4.43Å; I68-L75 HydrophobicContact CG1-CD1 4.32Å; I68-L75 HydrophobicContact CG2-CD1 4.5Å; I68-F76 HydrophobicContact CG2-CE2 4.03Å; I68-F76 HydrophobicContact CG2-CZ 3.8Å
69S82.7Confident75.4Confident0 Ų069.4 Ų69.40%036%0.356CS..Hα-helixtrans-66.2-41.517956.20000113.2E24 Q25 Q65 K66 F67 K71E24-S69 WeakPolarHBondContact OE2-CB 3.45Å; E24-S69 PolarHBondContact OE2-OG 2.97Å; Q25-S69 PolarHBondContact NE2-O 3.42Å; Q25-S69 VanDerWaalsContact NE2-O 3.08Å; Q65-S69 PolarHBondContact O-N 3.24Å; Q65-S69 PolarHBondContact O-OG 3.24Å; K66-S69 WeakPolarHBondContact CA-OG 3.48Å; K66-S69 PolarHBondContact O-OG 3.49Å; F67-S69 PolarHBondContact O-N 3.05Å; S69-K71 VanDerWaalsContact C-N 3.3Å; S69-K71 PolarHBondContact O-N 3.47Å
70K80.6Confident75.6Confident126 Ų12675.1 Ų75.155%0.54837%0.368SS..Hα-helixtrans-68.1-23.7175.8-71.7-178.5-177.6-174.70114.7E24 K66 F67E24-K70 WeakPolarHBondContact OE1-CE 3.47Å; E24-K70 WeakPolarHBondContact OE1-CG 3.49Å; E24-K70 IonicContact OE1-NZ 2.76Å; E24-K70 WeakPolarHBondContact OE2-CG 3.46Å; E24-K70 PolarHBondContact OE2-N 2.8Å; K66-K70 WeakPolarHBondContact O-CB 3.22Å; K66-K70 WeakPolarHBondContact O-CG 3.44Å; K66-K70 PolarHBondContact O-N 3.04Å; K66-K70 VanDerWaalsContact O-N 3.13Å; F67-K70 PolarHBondContact O-N 3.11Å
71K77.8Confident74.9Confident61 Ų6179.1 Ų79.127%0.26538%0.381SS..Hα-helixtrans-119.69.3-174.8-65.4-68.7-176170.40114F67 I68 S69 D73 L74 L75 L280F67-K71 HydrophobicContact CD2-CG 4.5Å; F67-K71 HydrophobicContact CE2-CG 4.16Å; F67-K71 HydrophobicContact CZ-CG 4.29Å; F67-K71 WeakPolarHBondContact O-CB 3.36Å; F67-K71 PolarHBondContact O-N 2.98Å; I68-K71 CarbonylContact O-C 3.55Å; I68-K71 PolarHBondContact O-N 2.99Å; S69-K71 VanDerWaalsContact C-N 3.3Å; S69-K71 PolarHBondContact O-N 3.47Å; K71-D73 PolarHBondContact O-N 2.98Å; K71-L74 HydrophobicContact CD-CD1 4.17Å; K71-L74 PolarHBondContact O-N 2.92Å; K71-L75 HydrophobicContact CB-CD1 3.82Å; K71-L75 HydrophobicContact CB-CG 4.05Å; K71-L75 WeakPolarHBondContact O-CG 3.45Å; K71-L75 PolarHBondContact O-N 3.37Å; K71-L280 PolarHBondContact NZ-O 2.91Å
72A79.7Confident73.5Confident0 Ų079.3 Ų79.30%039%0.388CS..Hα-helixtrans-48.3-36.3178.500000113.3M1 L21 Q25 I68 L74 F76M1-A72 HydrophobicContact CE-CB 4.34Å; L21-A72 HydrophobicContact CD2-CB 3.65Å; Q25-A72 HydrophobicContact CG-CB 4.26Å; I68-A72 WeakPolarHBondContact O-CA 3.37Å; I68-A72 WeakPolarHBondContact O-CB 3.49Å; I68-A72 PolarHBondContact O-N 3.03Å; A72-L74 VanDerWaalsContact C-N 3.26Å; A72-L74 PolarHBondContact O-N 3.13Å; A72-F76 HydrophobicContact CB-CD2 3.77Å; A72-F76 HydrophobicContact CB-CE2 3.88Å; A72-F76 WeakPolarHBondContact O-CB 3.49Å; A72-F76 VanDerWaalsContact O-CD2 3.29Å; A72-F76 WeakPolarHBondContact O-CD2 3.18Å; A72-F76 PolarHBondContact O-N 3.06Å
73D73.3Confident71.6Confident39 Ų3983 Ų8321%0.20941%0.409CS..Hα-helixtrans-61.8-32.1-179.8-49.5-46.1000113.5M1 Q25 N28 K71 R282M1-D73 WeakPolarHBondContact CE-OD1 3.35Å; Q25-D73 VanDerWaalsContact CD-OD1 3.26Å; Q25-D73 VanDerWaalsContact NE2-CG 3.3Å; Q25-D73 PolarHBondContact NE2-OD1 3.19Å; Q25-D73 PolarHBondContact NE2-OD2 3.33Å; Q25-D73 PolarHBondContact OE1-OD1 3.37Å; Q25-D73 PolarHBondContact OE1-OD2 3.25Å; N28-D73 PolarHBondContact ND2-OD1 3.31Å; K71-D73 PolarHBondContact O-N 2.98Å; D73-R282 WeakPolarHBondContact OD2-CD 3.2Å; D73-R282 IonicContact OD2-NH1 3.46Å
74L74.6Confident69.9Low72 Ų7276.9 Ų76.938%0.37739%0.386SS..Hα-helixtrans-98.1-43.5179.3-58176.1000110.8K71 A72 F76 A77 W80K71-L74 HydrophobicContact CD-CD1 4.17Å; K71-L74 PolarHBondContact O-N 2.92Å; A72-L74 VanDerWaalsContact C-N 3.26Å; A72-L74 PolarHBondContact O-N 3.13Å; L74-F76 VanDerWaalsContact C-N 3.28Å; L74-F76 PolarHBondContact O-N 3.28Å; L74-A77 WeakPolarHBondContact O-CB 3.07Å; L74-A77 PolarHBondContact O-N 2.84Å; L74-W80 PolarHBondContact O-NE1 2.88Å
75L78.8Confident68.1Low64 Ų6478.1 Ų78.134%0.33540%0.399SS..Hα-helixtrans-66.1-29.6-179-66.6172.5000113F67 I68 K71F67-L75 HydrophobicContact CD1-CD1 4.3Å; F67-L75 HydrophobicContact CE1-CD1 4.06Å; F67-L75 HydrophobicContact CE1-CD2 4.46Å; I68-L75 HydrophobicContact CB-CD1 4.43Å; I68-L75 HydrophobicContact CG1-CD1 4.32Å; I68-L75 HydrophobicContact CG2-CD1 4.5Å; K71-L75 HydrophobicContact CB-CD1 3.82Å; K71-L75 HydrophobicContact CB-CG 4.05Å; K71-L75 WeakPolarHBondContact O-CG 3.45Å; K71-L75 PolarHBondContact O-N 3.37Å
76F79.2Confident66.3Low12 Ų1282.5 Ų82.55%0.05344%0.436CS..THydrogen-bonded Turntrans-112.627174.9-47-57.6000111.6M1 D2 L5 L6 S9 I68 A72 L74M1-F76 CarbonylContact C-O 3.57Å; M1-F76 VanDerWaalsContact C-O 3.28Å; M1-F76 WeakPolarHBondContact CA-O 3.19Å; M1-F76 HydrophobicContact CB-CB 3.9Å; M1-F76 WeakPolarHBondContact CB-O 3.46Å; M1-F76 HydrophobicContact CG-CB 4.18Å; D2-F76 PolarHBondContact N-O 3.45Å; L5-F76 HydrophobicContact CB-CD1 3.76Å; L5-F76 HydrophobicContact CB-CE1 4.22Å; L6-F76 HydrophobicContact CD1-CD2 3.64Å; L6-F76 HydrophobicContact CD1-CE2 3.68Å; L6-F76 HydrophobicContact CD1-CG 4.28Å; L6-F76 HydrophobicContact CD1-CZ 4.32Å; S9-F76 WeakPolarHBondContact OG-CE1 3.37Å; S9-F76 WeakPolarHBondContact OG-CZ 3.42Å; I68-F76 HydrophobicContact CG2-CE2 4.03Å; I68-F76 HydrophobicContact CG2-CZ 3.8Å; A72-F76 HydrophobicContact CB-CD2 3.77Å; A72-F76 HydrophobicContact CB-CE2 3.88Å; A72-F76 WeakPolarHBondContact O-CB 3.49Å; A72-F76 VanDerWaalsContact O-CD2 3.29Å; A72-F76 WeakPolarHBondContact O-CD2 3.18Å; A72-F76 PolarHBondContact O-N 3.06Å; L74-F76 VanDerWaalsContact C-N 3.28Å; L74-F76 PolarHBondContact O-N 3.28Å
77A72.3Confident64.5Low32 Ų3281.8 Ų81.826%0.26444%0.44SS..  trans-63.4141.7169.500000110.3L74 S79L74-A77 WeakPolarHBondContact O-CB 3.07Å; L74-A77 PolarHBondContact O-N 2.84Å; A77-S79 PolarHBondContact O-N 3.08Å
78L67.6Low62.8Low139 Ų13979.4 Ų79.473%0.72844%0.438SS*.SBendtrans-69.9-20.4177.2-75.2164.8000112.3D2D2-L78 HydrophobicContact CB-CD2 4.03Å
79S58.2Low60.9Low74 Ų7484 Ų8452%0.51746%0.459SS..  trans-149132.9174.748.20000108.7A77 K81A77-S79 PolarHBondContact O-N 3.08Å; S79-K81 VanDerWaalsContact C-N 3.28Å
80W53.6Low59.2Low216 Ų21689.1 Ų89.182%0.81849%0.485SS*.  trans-84.1-6.2164.9-90.629.5000112.8L74 S82L74-W80 PolarHBondContact O-NE1 2.88Å; W80-S82 PolarHBondContact O-N 3.3Å
81K46.2Very low57.5Low182 Ų18286.7 Ų86.779%0.79148%0.478SS*.  trans-64.1121.9173.8-59.4-170.3177.9-169.80108.5S79S79-K81 VanDerWaalsContact C-N 3.28Å
82S44.2Very low56.2Low83 Ų8390.2 Ų90.258%0.5850%0.495SS*.  trans-59.2142.3160.239.90000109W80 A84W80-S82 PolarHBondContact O-N 3.3Å; S82-A84 PolarHBondContact O-N 3Å
83D41Very low54.7Low166 Ų16696.9 Ų96.989%0.88853%0.531SS*.SBendtrans-72.81.7170.1-61.1-56.8000112.2
84A43.9Very low54Low35 Ų3595.9 Ų95.929%0.28953%0.527SS..SBendtrans-58.2124.7166.900000108.9S82 A86S82-A84 PolarHBondContact O-N 3Å; A84-A86 PolarHBondContact O-N 3.31Å
85P44.6Very low53.4Low106 Ų10696.2 Ų96.269%0.68853%0.527SS*.  trans-59.8131.1173.326.8-33.3000108T87P85-T87 PolarHBondContact O-N 3.38Å
86A44.2Very low53Low94 Ų9498 Ų9878%0.77754%0.536SS*.  trans-72.480.1176.200000109.5A84 S88A84-A86 PolarHBondContact O-N 3.31Å; A86-S88 PolarHBondContact O-N 3.47Å
87T44.6Very low52.9Low77 Ų77101.2 Ų101.247%0.47255%0.551SS.*  trans-71.657.1165.944.40000109.8P85 E89P85-T87 PolarHBondContact O-N 3.38Å; T87-E89 PolarHBondContact O-N 3.07Å
88S46.9Very low53.4Low69 Ų69103 Ų10348%0.48355%0.552SS.*  trans-73.350.9158.363.10000109.6A86 I90A86-S88 PolarHBondContact O-N 3.47Å; S88-I90 VanDerWaalsContact C-N 3.33Å; S88-I90 PolarHBondContact O-N 2.86Å
89E44.5Very low54.3Low118 Ų11897.7 Ų97.755%0.55153%0.528SS*.  trans-67.399.4160.3-71.6-169.6-167.300106.2T87 N91T87-E89 PolarHBondContact O-N 3.07Å; E89-N91 PolarHBondContact O-N 3.07Å; E89-N91 PolarHBondContact OE2-ND2 3.35Å
90I46.8Very low55.7Low107 Ų10795.3 Ų95.355%0.54951%0.51SS..  trans-77.762.5165.9-49.8179.2000106.7S88 E92 L216S88-I90 VanDerWaalsContact C-N 3.33Å; S88-I90 PolarHBondContact O-N 2.86Å; I90-E92 PolarHBondContact O-N 2.87Å; I90-L216 HydrophobicContact CD1-CD2 4.47Å
91N46.3Very low57.3Low74 Ų7486.7 Ų86.740%0.39648%0.48SS..  trans-71.5124.6167.1-64.4-20000106.2E89 D93 S94E89-N91 PolarHBondContact O-N 3.07Å; E89-N91 PolarHBondContact OE2-ND2 3.35Å; N91-D93 PolarHBondContact O-N 3.21Å; N91-D93 VanDerWaalsContact O-N 3.1Å; N91-S94 WeakPolarHBondContact O-CB 3.48Å; N91-S94 PolarHBondContact O-N 3.36Å; N91-S94 PolarHBondContact O-OG 3.07Å
92E49.6Very low59.3Low136 Ų13678.4 Ų78.464%0.63644%0.444SS*.G310 helixtrans-59.9-21.5179.6-64.6173.1150.900110.8I90 S94 E95I90-E92 PolarHBondContact O-N 2.87Å; E92-S94 PolarHBondContact O-N 3.46Å; E92-S94 VanDerWaalsContact O-N 3.13Å; E92-E95 WeakPolarHBondContact O-CG 3.28Å
93D49.5Very low61.4Low139 Ų13974.9 Ų74.974%0.74342%0.419SS*.G310 helixtrans-62.8-11.3169.2-52-62.8000115N91 E95 H97N91-D93 PolarHBondContact O-N 3.21Å; N91-D93 VanDerWaalsContact O-N 3.1Å; D93-E95 VanDerWaalsContact C-N 3.3Å; D93-E95 PolarHBondContact O-N 2.84Å; D93-H97 PolarHBondContact O-CE1 3.2Å; D93-H97 PolarHBondContact O-ND1 3.14Å
94S57.8Low63.6Low18 Ų1871.8 Ų71.813%0.12640%0.402CS..G310 helixtrans-79.2-9.2-177.6-51.40000113.9N91 E92 D96 H97N91-S94 WeakPolarHBondContact O-CB 3.48Å; N91-S94 PolarHBondContact O-N 3.36Å; N91-S94 PolarHBondContact O-OG 3.07Å; E92-S94 PolarHBondContact O-N 3.46Å; E92-S94 VanDerWaalsContact O-N 3.13Å; S94-D96 PolarHBondContact O-N 2.84Å; S94-H97 WeakPolarHBondContact O-CB 3.42Å; S94-H97 PolarHBondContact O-N 3.48Å; S94-H97 VanDerWaalsContact O-N 3.11Å
95E61.8Low65.7Low80 Ų8070.6 Ų70.637%0.37439%0.391SS..THydrogen-bonded Turntrans-66.7-27.3-164-73.5-171.8153.100115.2E92 D93 L231E92-E95 WeakPolarHBondContact O-CG 3.28Å; D93-E95 VanDerWaalsContact C-N 3.3Å; D93-E95 PolarHBondContact O-N 2.84Å; E95-L231 HydrophobicContact CB-CD1 3.74Å; E95-L231 HydrophobicContact CG-CD1 3.87Å; E95-L231 HydrophobicContact CG-CG 4.47Å; E95-L231 WeakPolarHBondContact OE1-CG 3.23Å; E95-L231 WeakPolarHBondContact OE2-CD1 3.48Å; E95-L231 WeakPolarHBondContact OE2-CG 3.48Å
96D70.3Confident67.6Low100 Ų10067.7 Ų67.754%0.53537%0.368SS..THydrogen-bonded Turntrans-91.2-3.6175.9-77.5-36.8000114.2S94 N259S94-D96 PolarHBondContact O-N 2.84Å; D96-N259 PolarHBondContact O-ND2 2.98Å
97H77.3Confident69.6Low81 Ų8166.1 Ų66.138%0.37534%0.344SS..SBendtrans-85.3-14.7-175.2-67.585.8000113.9D93 S94 V262 F265D93-H97 PolarHBondContact O-CE1 3.2Å; D93-H97 PolarHBondContact O-ND1 3.14Å; S94-H97 WeakPolarHBondContact O-CB 3.42Å; S94-H97 PolarHBondContact O-N 3.48Å; S94-H97 VanDerWaalsContact O-N 3.11Å; H97-V262 WeakPolarHBondContact O-CG2 3.29Å; H97-F265 HydrophobicContact CB-CD1 3.79Å; H97-F265 HydrophobicContact CB-CD2 3.99Å; H97-F265 HydrophobicContact CB-CE1 3.74Å; H97-F265 HydrophobicContact CB-CE2 3.92Å; H97-F265 HydrophobicContact CB-CG 3.92Å; H97-F265 HydrophobicContact CB-CZ 3.8Å
98Y83.8Confident71.5Confident69 Ų6967.3 Ų67.327%0.27135%0.345SS..SBendtrans-160.7161.7177.765.1-76.6000112.5V100 G256 F265 L266 K269Y98-V100 HydrophobicContact CD2-CG2 4.46Å; Y98-V100 HydrophobicContact CE2-CG2 4.04Å; Y98-V100 PolarHBondContact O-N 3.04Å; Y98-G256 CarbonylContact C-O 3.21Å; Y98-G256 VanDerWaalsContact C-O 3.24Å; Y98-G256 VanDerWaalsContact CA-O 3.22Å; Y98-G256 WeakPolarHBondContact CA-O 3.41Å; Y98-F265 HydrophobicContact CD1-CD1 4.22Å; Y98-F265 AromaticContact CD1-CE1 3.49Å; Y98-F265 HydrophobicContact CD1-CE1 3.49Å; Y98-F265 VanDerWaalsContact CD1-CE1 3.49Å; Y98-F265 HydrophobicContact CD1-CZ 4.31Å; Y98-F265 AromaticContact CE1-CE1 3.98Å; Y98-F265 HydrophobicContact CE1-CE1 3.98Å; Y98-F265 HydrophobicContact CE1-CZ 4.48Å; Y98-F265 HydrophobicContact CG-CE1 4.36Å; Y98-L266 HydrophobicContact CG-CD2 4.47Å; Y98-K269 VanDerWaalsContact CZ-NZ 3.35Å; Y98-K269 PolarHBondContact OH-NZ 2.66Å; Y98-K269 VanDerWaalsContact OH-NZ 3.15Å
99A86.5Confident73.2Confident27 Ų2773.8 Ų73.822%0.22337%0.368CS..  trans-71.496.7-179.100000112.8M101 S254 G256 F257A99-M101 PolarHBondContact O-N 3.27Å; A99-M101 VanDerWaalsContact O-N 3.1Å; A99-S254 WeakPolarHBondContact CB-OG 3.4Å; A99-G256 PolarHBondContact N-O 3.47Å; A99-F257 HydrophobicContact CB-CB 4.14Å
100V85.9Confident75.2Confident25 Ų2570 Ų7015%0.15235%0.351CS..  trans-72.297172.6-178.30000110.8Y98 L231 R235Y98-V100 HydrophobicContact CD2-CG2 4.46Å; Y98-V100 HydrophobicContact CE2-CG2 4.04Å; Y98-V100 PolarHBondContact O-N 3.04Å; V100-L231 HydrophobicContact CG1-CB 4.41Å; V100-R235 PolarHBondContact O-NH1 3.42Å
101M87.8Confident77.2Confident35 Ų3568.2 Ų68.217%0.17235%0.346CS..PPolyproline II helixtrans-87150.8179.5-62.5-57.7-72.800112.6A99 Y247 I250 M251A99-M101 PolarHBondContact O-N 3.27Å; A99-M101 VanDerWaalsContact O-N 3.1Å; M101-Y247 HydrophobicContact CB-CE2 4.32Å; M101-Y247 HydrophobicContact CE-CD2 3.57Å; M101-Y247 HydrophobicContact CE-CE2 3.43Å; M101-Y247 VanDerWaalsContact CE-CE2 3.43Å; M101-Y247 HydrophobicContact CE-CG 4.19Å; M101-Y247 WeakPolarHBondContact CE-O 3.25Å; M101-Y247 HydrophobicContact CG-CE2 4.23Å; M101-I250 HydrophobicContact CE-CB 4.05Å; M101-I250 HydrophobicContact CE-CG2 3.99Å; M101-I250 HydrophobicContact SD-CG2 4.39Å; M101-M251 HydrophobicContact CE-CB 4.03Å; M101-M251 HydrophobicContact SD-CB 4.02Å; M101-M251 HydrophobicContact SD-CG 4.5Å
102P88.5Confident79.2Confident7 Ų767.8 Ų67.85%0.04535%0.349CS..PPolyproline II helixtrans-62.6164.8166-19.933.3000112.6L104 Q106 F107 R235 L239P102-L104 PolarHBondContact O-N 3.36Å; P102-Q106 VanDerWaalsContact CB-OE1 3.26Å; P102-F107 HydrophobicContact CB-CE2 4.22Å; P102-F107 HydrophobicContact CG-CE2 4.5Å; P102-F107 HydrophobicContact CG-CZ 4.36Å; P102-R235 HydrophobicContact CG-CB 3.76Å; P102-L239 HydrophobicContact CB-CD1 4.45Å; P102-L239 HydrophobicContact CG-CD1 3.84Å
103P88.8Confident81.1Confident10 Ų1067.6 Ų67.67%0.06535%0.35CS..PPolyproline II helixtrans-56.9132176.6-22.133.6000111.1E105 Q106 Y232P103-E105 PolarHBondContact O-N 2.93Å; P103-Q106 PolarHBondContact O-N 3.46Å; P103-Y232 HydrophobicContact CG-CD2 4.22Å; P103-Y232 HydrophobicContact CG-CE2 4.25Å
104L87.1Confident83Confident101 Ų10164.7 Ų64.753%0.52934%0.335SS..G310 helixtrans-56.4-25.2-177.1-172.662.8000112.8P102 Q106 F107 M108 Y247P102-L104 PolarHBondContact O-N 3.36Å; L104-Q106 PolarHBondContact O-N 3.1Å; L104-Q106 VanDerWaalsContact O-N 3.16Å; L104-F107 HydrophobicContact CD1-CD2 4.41Å; L104-F107 PolarHBondContact O-N 3.04Å; L104-M108 HydrophobicContact CD2-SD 4.18Å; L104-M108 HydrophobicContact CG-CG 4.48Å; L104-M108 HydrophobicContact CG-SD 3.98Å; L104-Y247 HydrophobicContact CD1-CD2 4.37Å; L104-Y247 HydrophobicContact CD1-CE2 4.24Å
105E86.8Confident84.5Confident10 Ų1065.6 Ų65.65%0.04734%0.335CS..G310 helixtrans-55.3-25.6175.5-53.6-174.5138.300114.3P103 F107 M108 I110 R154 D155P103-E105 PolarHBondContact O-N 2.93Å; E105-F107 VanDerWaalsContact C-N 3.31Å; E105-M108 PolarHBondContact O-N 3.34Å; E105-I110 HydrophobicContact CB-CD1 4.02Å; E105-I110 HydrophobicContact CG-CD1 3.97Å; E105-R154 WeakPolarHBondContact OE1-CD 3.23Å; E105-R154 IonicContact OE1-CZ 3.29Å; E105-R154 IonicContact OE1-NE 3.03Å; E105-R154 IonicContact OE1-NH1 2.7Å; E105-R154 PolarHBondContact OE1-NH1 3.4Å; E105-R154 WeakPolarHBondContact OE2-CA 3.48Å; E105-R154 WeakPolarHBondContact OE2-CD 3.48Å; E105-D155 HydrophobicContact CB-CB 4.27Å; E105-D155 PolarHBondContact OE2-N 2.8Å
106Q85.1Confident85.9Confident45 Ų4564.9 Ų64.921%0.2133%0.329CS..G310 helixtrans-78.4-18177.4-68.5168.8-7.600112.7P102 P103 L104 D155 S236P102-Q106 VanDerWaalsContact CB-OE1 3.26Å; P103-Q106 PolarHBondContact O-N 3.46Å; L104-Q106 PolarHBondContact O-N 3.1Å; L104-Q106 VanDerWaalsContact O-N 3.16Å; Q106-D155 HydrophobicContact CG-CB 3.78Å; Q106-D155 VanDerWaalsContact NE2-CG 3.31Å; Q106-D155 PolarHBondContact NE2-OD1 2.88Å; Q106-S236 VanDerWaalsContact CD-CB 3.47Å
107F86.3Confident86.9Confident60 Ų6067.1 Ų67.126%0.26334%0.336SS..G310 helixtrans-99.19.4174.4-51.1-82000112.1P102 L104 E105 L239 Y247 I250P102-F107 HydrophobicContact CB-CE2 4.22Å; P102-F107 HydrophobicContact CG-CE2 4.5Å; P102-F107 HydrophobicContact CG-CZ 4.36Å; L104-F107 HydrophobicContact CD1-CD2 4.41Å; L104-F107 PolarHBondContact O-N 3.04Å; E105-F107 VanDerWaalsContact C-N 3.31Å; F107-L239 HydrophobicContact CE1-CD1 3.8Å; F107-L239 HydrophobicContact CZ-CD1 3.49Å; F107-L239 VanDerWaalsContact CZ-CD1 3.49Å; F107-Y247 HydrophobicContact CD1-CD2 4.47Å; F107-Y247 AromaticContact CD2-CD2 3.77Å; F107-Y247 HydrophobicContact CD2-CD2 3.77Å; F107-Y247 HydrophobicContact CE1-CD2 4.41Å; F107-Y247 AromaticContact CE2-CD2 3.7Å; F107-Y247 HydrophobicContact CE2-CD2 3.7Å; F107-Y247 HydrophobicContact CE2-CE2 4.37Å; F107-Y247 HydrophobicContact CG-CD2 4.16Å; F107-Y247 HydrophobicContact CZ-CD2 4.02Å; F107-I250 HydrophobicContact CE1-CD1 3.46Å; F107-I250 VanDerWaalsContact CE1-CD1 3.46Å; F107-I250 HydrophobicContact CZ-CD1 3.76Å
108M84.9Confident87.4Confident102 Ų10265.1 Ų65.150%0.50233%0.328SS..THydrogen-bonded Turntrans-130.7139.9-176.3-67.3-17865.300110.3L104 E105 I110L104-M108 HydrophobicContact CD2-SD 4.18Å; L104-M108 HydrophobicContact CG-CG 4.48Å; L104-M108 HydrophobicContact CG-SD 3.98Å; E105-M108 PolarHBondContact O-N 3.34Å; M108-I110 HydrophobicContact CB-CD1 3.95Å; M108-I110 HydrophobicContact CB-CG1 3.66Å; M108-I110 HydrophobicContact CE-CD1 4.26Å; M108-I110 HydrophobicContact CE-CG1 4.47Å; M108-I110 PolarHBondContact O-N 2.95Å; M108-I110 HydrophobicContact SD-CD1 4.28Å
109E81.5Confident87.8Confident206 Ų20662 Ų6296%0.96332%0.316SS*.THydrogen-bonded Turntrans-77.966.5177.5-63.7-177.5174.500111.4
110I86.3Confident88Confident37 Ų3761.2 Ų61.219%0.1931%0.307CS..  trans-93.8123.4-178.4-46.9-177.6000110.8E105 M108 D114 R115E105-I110 HydrophobicContact CB-CD1 4.02Å; E105-I110 HydrophobicContact CG-CD1 3.97Å; M108-I110 HydrophobicContact CB-CD1 3.95Å; M108-I110 HydrophobicContact CB-CG1 3.66Å; M108-I110 HydrophobicContact CE-CD1 4.26Å; M108-I110 HydrophobicContact CE-CG1 4.47Å; M108-I110 PolarHBondContact O-N 2.95Å; M108-I110 HydrophobicContact SD-CD1 4.28Å; I110-D114 HydrophobicContact CG2-CB 4.09Å; I110-R115 HydrophobicContact CB-CG 3.99Å; I110-R115 HydrophobicContact CG2-CG 3.61Å; I110-R115 PolarHBondContact O-NE 2.97Å
111P90.3Very high88.1Confident70 Ų7066.3 Ų66.346%0.45532%0.324SS..  trans-53.4146.3175-26.334.7000113.6M113 D114 R115P111-M113 VanDerWaalsContact C-N 3.28Å; P111-M113 PolarHBondContact O-N 3.29Å; P111-D114 HydrophobicContact CB-CB 4.45Å; P111-D114 PolarHBondContact O-N 2.95Å; P111-R115 PolarHBondContact O-N 3.19Å; P111-R115 VanDerWaalsContact O-N 3.1Å
112S88.3Confident88.1Confident66 Ų6665.9 Ų65.946%0.46232%0.323SS..Hα-helixtrans-64-31.5179.250.30000113.3R116 L159S112-R116 WeakPolarHBondContact O-CB 3.38Å; S112-R116 PolarHBondContact O-N 2.93Å; S112-L159 WeakPolarHBondContact O-CD2 3.46Å
113M88.5Confident88.1Confident131 Ų13165.9 Ų65.965%0.64532%0.322SS*.Hα-helixtrans-62.6-51.2174.4-63.5-55.1-57.500111.2P111 R115 R116 E117P111-M113 VanDerWaalsContact C-N 3.28Å; P111-M113 PolarHBondContact O-N 3.29Å; M113-R115 VanDerWaalsContact C-N 3.34Å; M113-R115 PolarHBondContact O-N 3.21Å; M113-R116 WeakPolarHBondContact O-CB 3.4Å; M113-R116 PolarHBondContact O-N 3.32Å; M113-R116 VanDerWaalsContact O-N 3.13Å; M113-E117 PolarHBondContact O-N 3.01Å
114D89.9Confident88.2Confident79 Ų7971.7 Ų71.742%0.42235%0.348SS..Hα-helixtrans-60.9-44.3-179.8-53.69.8000110.4I110 P111 R116 E117 L118I110-D114 HydrophobicContact CG2-CB 4.09Å; P111-D114 HydrophobicContact CB-CB 4.45Å; P111-D114 PolarHBondContact O-N 2.95Å; D114-R116 VanDerWaalsContact C-N 3.31Å; D114-R116 PolarHBondContact O-N 3.28Å; D114-E117 PolarHBondContact O-N 3.15Å; D114-L118 WeakPolarHBondContact O-CB 3.46Å; D114-L118 WeakPolarHBondContact O-CG 3.39Å; D114-L118 PolarHBondContact O-N 2.84Å
115R89.6Confident88.3Confident36 Ų3675 Ų7514%0.13635%0.354CS..Hα-helixtrans-62.3-35.6175.8-69.9-166.9-78.3144.7-27.8113.2I110 P111 M113 F119 D155 L159I110-R115 HydrophobicContact CB-CG 3.99Å; I110-R115 HydrophobicContact CG2-CG 3.61Å; I110-R115 PolarHBondContact O-NE 2.97Å; P111-R115 PolarHBondContact O-N 3.19Å; P111-R115 VanDerWaalsContact O-N 3.1Å; M113-R115 VanDerWaalsContact C-N 3.34Å; M113-R115 PolarHBondContact O-N 3.21Å; R115-F119 WeakPolarHBondContact O-CB 3.26Å; R115-F119 PolarHBondContact O-N 3.21Å; R115-D155 IonicContact CZ-OD2 2.73Å; R115-D155 PolarHBondContact NH1-O 2.95Å; R115-D155 IonicContact NH1-OD2 3.33Å; R115-D155 PolarHBondContact NH1-OD2 2.58Å; R115-D155 IonicContact NH2-OD2 3.8Å; R115-L159 HydrophobicContact CB-CD1 4.03Å; R115-L159 HydrophobicContact CB-CD2 4.39Å
116R91.3Very high88.3Confident66 Ų6674.8 Ų74.825%0.24935%0.354CS..Hα-helixtrans-68.2-41175.4-172.3177177112-5.9111.9S112 M113 D114 F119 F120 L159 E201S112-R116 WeakPolarHBondContact O-CB 3.38Å; S112-R116 PolarHBondContact O-N 2.93Å; M113-R116 WeakPolarHBondContact O-CB 3.4Å; M113-R116 PolarHBondContact O-N 3.32Å; M113-R116 VanDerWaalsContact O-N 3.13Å; D114-R116 VanDerWaalsContact C-N 3.31Å; D114-R116 PolarHBondContact O-N 3.28Å; R116-F119 PolarHBondContact O-N 2.94Å; R116-F120 HydrophobicContact CG-CD2 4.2Å; R116-F120 HydrophobicContact CG-CE2 4.13Å; R116-F120 WeakPolarHBondContact O-CD2 3.45Å; R116-F120 PolarHBondContact O-N 3.34Å; R116-F120 VanDerWaalsContact O-N 3.11Å; R116-L159 HydrophobicContact CB-CD1 4.36Å; R116-L159 PolarHBondContact NH1-O 3.18Å; R116-E201 WeakPolarHBondContact CD-OE1 3.27Å; R116-E201 WeakPolarHBondContact CG-OE1 3.3Å; R116-E201 IonicContact CZ-OE1 2.66Å; R116-E201 IonicContact CZ-OE2 3.02Å; R116-E201 VanDerWaalsContact CZ-OE2 3.29Å; R116-E201 IonicContact NE-OE1 3.91Å; R116-E201 PolarHBondContact NE-OE1 3.2Å; R116-E201 IonicContact NE-OE2 2.66Å; R116-E201 PolarHBondContact NE-OE2 3.25Å; R116-E201 IonicContact NH2-OE1 3.25Å; R116-E201 IonicContact NH2-OE2 3.82Å; R116-E201 PolarHBondContact NH2-OE2 3.4Å
117E90.1Very high88.5Confident147 Ų14773.9 Ų73.969%0.68735%0.35SS*.Hα-helixtrans-64.5-47172.8-171.7-177.6162.700111.6M113 D114 F119 F120 R121M113-E117 PolarHBondContact O-N 3.01Å; D114-E117 PolarHBondContact O-N 3.15Å; E117-F119 VanDerWaalsContact C-N 3.31Å; E117-F119 PolarHBondContact O-N 3.47Å; E117-F120 PolarHBondContact O-N 3.45Å; E117-R121 WeakPolarHBondContact O-CB 3.39Å; E117-R121 PolarHBondContact O-N 3.25Å
118L88.7Confident88.8Confident39 Ų3971.1 Ų71.120%0.20434%0.338CS..Hα-helixtrans-57-43.7176.6-69.1170.8000111.6D114 R121 D122D114-L118 WeakPolarHBondContact O-CB 3.46Å; D114-L118 WeakPolarHBondContact O-CG 3.39Å; D114-L118 PolarHBondContact O-N 2.84Å; L118-R121 PolarHBondContact O-N 3.02Å; L118-D122 VanDerWaalsContact O-CB 3.31Å; L118-D122 WeakPolarHBondContact O-CB 3.22Å; L118-D122 VanDerWaalsContact O-CG 3.25Å; L118-D122 PolarHBondContact O-N 3.43Å
119F91.3Very high89.2Confident2 Ų266.3 Ų66.31%0.00931%0.314CS..Hα-helixtrans-59.1-54.2175.1169.5-92.4000112.1R115 R116 E117 R121 D122 I123 L145 L148 I156 I161 L203R115-F119 WeakPolarHBondContact O-CB 3.26Å; R115-F119 PolarHBondContact O-N 3.21Å; R116-F119 PolarHBondContact O-N 2.94Å; E117-F119 VanDerWaalsContact C-N 3.31Å; E117-F119 PolarHBondContact O-N 3.47Å; F119-R121 PolarHBondContact O-N 3.34Å; F119-D122 PolarHBondContact O-N 2.97Å; F119-I123 HydrophobicContact CD2-CD1 4.27Å; F119-I123 HydrophobicContact CE1-CD1 4.01Å; F119-I123 HydrophobicContact CE2-CD1 3.51Å; F119-I123 HydrophobicContact CZ-CD1 3.35Å; F119-I123 VanDerWaalsContact O-CB 3.31Å; F119-I123 WeakPolarHBondContact O-CB 3.41Å; F119-I123 VanDerWaalsContact O-CG2 3.24Å; F119-I123 WeakPolarHBondContact O-CG2 3.24Å; F119-I123 PolarHBondContact O-N 3.41Å; F119-I123 VanDerWaalsContact O-N 3.08Å; F119-L145 HydrophobicContact CZ-CD1 4.06Å; F119-L148 HydrophobicContact CE2-CD2 4.21Å; F119-I156 HydrophobicContact CD2-CG2 3.46Å; F119-I156 VanDerWaalsContact CD2-CG2 3.46Å; F119-I156 HydrophobicContact CE2-CD1 4.08Å; F119-I156 HydrophobicContact CE2-CG2 3.82Å; F119-I156 HydrophobicContact CG-CG2 4.29Å; F119-I161 HydrophobicContact CD1-CD1 3.41Å; F119-I161 VanDerWaalsContact CD1-CD1 3.41Å; F119-I161 HydrophobicContact CD2-CD1 4.36Å; F119-I161 HydrophobicContact CE1-CD1 3.48Å; F119-I161 VanDerWaalsContact CE1-CD1 3.48Å; F119-I161 HydrophobicContact CE1-CG2 3.89Å; F119-I161 HydrophobicContact CE2-CD1 4.37Å; F119-I161 HydrophobicContact CG-CD1 3.88Å; F119-I161 HydrophobicContact CZ-CD1 3.96Å; F119-I161 HydrophobicContact CZ-CG2 4.19Å; F119-L203 HydrophobicContact CE1-CD1 3.94Å; F119-L203 HydrophobicContact CZ-CD1 3.84Å
120F90.4Very high89.8Confident11 Ų1156.5 Ų56.55%0.04827%0.269CS..Hα-helixtrans-67.6-24-178.8-80.6-67.6000113.4R116 E117 I161 I196 R198 E201 L203R116-F120 HydrophobicContact CG-CD2 4.2Å; R116-F120 HydrophobicContact CG-CE2 4.13Å; R116-F120 WeakPolarHBondContact O-CD2 3.45Å; R116-F120 PolarHBondContact O-N 3.34Å; R116-F120 VanDerWaalsContact O-N 3.11Å; E117-F120 PolarHBondContact O-N 3.45Å; F120-I161 HydrophobicContact CE2-CD1 4.44Å; F120-I161 HydrophobicContact CZ-CG2 4.06Å; F120-I196 HydrophobicContact CD1-CG2 4.48Å; F120-R198 VanDerWaalsContact O-CD 3.27Å; F120-R198 WeakPolarHBondContact O-CD 3.46Å; F120-R198 PolarHBondContact O-NE 3.06Å; F120-E201 HydrophobicContact CD2-CB 4.31Å; F120-E201 HydrophobicContact CD2-CG 4.03Å; F120-E201 HydrophobicContact CE1-CB 4.29Å; F120-E201 HydrophobicContact CE2-CB 3.59Å; F120-E201 HydrophobicContact CE2-CG 3.76Å; F120-E201 HydrophobicContact CZ-CB 3.59Å; F120-E201 HydrophobicContact CZ-CG 4.22Å; F120-E201 WeakPolarHBondContact CZ-O 3.47Å; F120-L203 HydrophobicContact CE1-CD1 4.48Å; F120-L203 HydrophobicContact CE1-CD2 3.94Å; F120-L203 HydrophobicContact CE1-CG 4.04Å
121R88.9Confident90.1Very high132 Ų13254.8 Ų54.850%0.49826%0.26SS..Hα-helixtrans-71.4-46.6171.9-173.1-164.371.2-162.1-5.2112.5E117 L118 F119 R198E117-R121 WeakPolarHBondContact O-CB 3.39Å; E117-R121 PolarHBondContact O-N 3.25Å; L118-R121 PolarHBondContact O-N 3.02Å; F119-R121 PolarHBondContact O-N 3.34Å; R121-R198 PolarHBondContact O-NH2 3.07Å; R121-R198 VanDerWaalsContact O-NH2 3.1Å
122D87.7Confident90.3Very high27 Ų2757.6 Ų57.614%0.14426%0.261CS..Hα-helixtrans-84.7-23.5-168.9-71.8-2.2000114L118 F119 I152 R154L118-D122 VanDerWaalsContact O-CB 3.31Å; L118-D122 WeakPolarHBondContact O-CB 3.22Å; L118-D122 VanDerWaalsContact O-CG 3.25Å; L118-D122 PolarHBondContact O-N 3.43Å; F119-D122 PolarHBondContact O-N 2.97Å; D122-I152 HydrophobicContact CB-CD1 4.18Å; D122-R154 IonicContact OD2-CZ 2.61Å; D122-R154 VanDerWaalsContact OD2-CZ 3.28Å; D122-R154 IonicContact OD2-NE 3.96Å; D122-R154 PolarHBondContact OD2-NE 2.96Å; D122-R154 VanDerWaalsContact OD2-NE 3.1Å; D122-R154 IonicContact OD2-NH2 2.82Å; D122-R154 PolarHBondContact OD2-NH2 3.14Å
123I89Confident90.6Very high6 Ų654.6 Ų54.63%0.03124%0.24CC..  trans-77134.6-174-160162.6000112.6F119 L148 I193 I196 R198F119-I123 HydrophobicContact CD2-CD1 4.27Å; F119-I123 HydrophobicContact CE1-CD1 4.01Å; F119-I123 HydrophobicContact CE2-CD1 3.51Å; F119-I123 HydrophobicContact CZ-CD1 3.35Å; F119-I123 VanDerWaalsContact O-CB 3.31Å; F119-I123 WeakPolarHBondContact O-CB 3.41Å; F119-I123 VanDerWaalsContact O-CG2 3.24Å; F119-I123 WeakPolarHBondContact O-CG2 3.24Å; F119-I123 PolarHBondContact O-N 3.41Å; F119-I123 VanDerWaalsContact O-N 3.08Å; I123-L148 HydrophobicContact CD1-CD2 4.38Å; I123-I193 HydrophobicContact CD1-CD1 3.33Å; I123-I193 HydrophobicContact CG1-CD1 3.35Å; I123-I196 HydrophobicContact CG2-CD1 4.1Å; I123-I196 HydrophobicContact CG2-CG2 4.29Å; I123-I196 WeakPolarHBondContact O-CD1 3.46Å; I123-R198 PolarHBondContact O-NH2 2.74Å
124E89.6Confident90.9Very high132 Ų13251 Ų5162%0.61723%0.228SC*.  trans-120.6166.9-176.9-60.1-157.7154.400113.4D127 I196E124-D127 PolarHBondContact N-OD2 2.64Å; E124-D127 VanDerWaalsContact N-OD2 3.11Å; E124-D127 PolarHBondContact O-N 3.07Å; E124-I196 VanDerWaalsContact C-CD1 3.46Å
125R89.2Confident91.1Very high172 Ų17249 Ų4965%0.64922%0.22SC*.THydrogen-bonded Turntrans-70.3134.6175.1-76.9-168.5177.4115.1-7.9109.5K194 D195R125-K194 WeakPolarHBondContact CD-O 3.49Å; R125-K194 WeakPolarHBondContact CG-O 3.49Å; R125-K194 PolarHBondContact NE-O 3.02Å; R125-D195 IonicContact CZ-OD1 2.59Å; R125-D195 VanDerWaalsContact CZ-OD1 3.25Å; R125-D195 IonicContact NE-OD1 3.44Å; R125-D195 PolarHBondContact NE-OD1 3.05Å; R125-D195 IonicContact NH2-OD1 2.69Å; R125-D195 PolarHBondContact NH2-OD1 3.12Å
126G87.1Confident91.2Very high4 Ų449.9 Ų49.94%0.04123%0.227CC..THydrogen-bonded Turntrans88.6-1.9-177.300000115.1I193 S211 P213G126-I193 PolarHBondContact N-O 2.92Å; G126-S211 WeakPolarHBondContact CA-O 3.43Å; G126-P213 WeakPolarHBondContact O-CD 3.46Å
127D90.6Very high91.2Very high26 Ų2652.9 Ų52.914%0.13924%0.238CC..  trans-63.3148.6166-88.5-44.4000111.4E124 S150 G151 G192 I193E124-D127 PolarHBondContact N-OD2 2.64Å; E124-D127 VanDerWaalsContact N-OD2 3.11Å; E124-D127 PolarHBondContact O-N 3.07Å; D127-S150 VanDerWaalsContact CA-OG 3.28Å; D127-S150 WeakPolarHBondContact CA-OG 3.12Å; D127-S150 PolarHBondContact OD1-OG 2.8Å; D127-G151 VanDerWaalsContact OD1-CA 3.22Å; D127-G151 WeakPolarHBondContact OD1-CA 3.43Å; D127-G151 PolarHBondContact OD1-N 2.88Å; D127-G192 CarbonylContact O-C 3.6Å; D127-G192 WeakPolarHBondContact O-CA 3.13Å; D127-I193 HydrophobicContact CB-CD1 3.89Å; D127-I193 WeakPolarHBondContact O-CG1 3.47Å; D127-I193 PolarHBondContact O-N 3.12Å
128I91.1Very high91Very high3 Ų354.6 Ų54.62%0.01525%0.246CC..EExtended strand (participates in β ladder)trans-91130.5176-60.2176.8000109.1G149 S150 R190 A191 L212 L216 I219I128-G149 PolarHBondContact O-N 3.04Å; I128-S150 PolarHBondContact N-OG 2.95Å; I128-S150 PolarHBondContact O-N 3.32Å; I128-R190 HydrophobicContact CG2-CG 3.45Å; I128-R190 VanDerWaalsContact CG2-CG 3.45Å; I128-A191 WeakPolarHBondContact CA-O 3.4Å; I128-L212 HydrophobicContact CD1-CD1 4.42Å; I128-L212 HydrophobicContact CD1-CD2 4.26Å; I128-L212 HydrophobicContact CG1-CD2 3.69Å; I128-L216 HydrophobicContact CD1-CB 4.39Å; I128-L216 HydrophobicContact CD1-CD1 4.05Å; I128-L216 HydrophobicContact CG1-CD1 4.29Å; I128-I219 HydrophobicContact CD1-CB 4.27Å; I128-I219 HydrophobicContact CD1-CD1 3.66Å; I128-I219 HydrophobicContact CD1-CG2 4.08Å
129V93.2Very high91.1Very high0 Ų057.9 Ų57.90%026%0.259CS..EExtended strand (participates in β ladder)trans-118.7148.9174.1-63.70000110.9L145 L148 R190 A191 I193 V205V129-L145 HydrophobicContact CB-CD1 4.26Å; V129-L145 HydrophobicContact CB-CD2 3.97Å; V129-L145 HydrophobicContact CG1-CD1 4.14Å; V129-L145 HydrophobicContact CG2-CD2 3.94Å; V129-L148 HydrophobicContact CG1-CD2 3.86Å; V129-R190 WeakPolarHBondContact O-CA 3.37Å; V129-A191 PolarHBondContact N-O 3.16Å; V129-A191 PolarHBondContact O-N 3Å; V129-I193 HydrophobicContact CG1-CD1 3.59Å; V129-I193 HydrophobicContact CG1-CG1 3.68Å; V129-I193 HydrophobicContact CG2-CG1 4.31Å; V129-V205 HydrophobicContact CG2-CG1 4.17Å; V129-V205 HydrophobicContact CG2-CG2 3.97Å
130I94.1Very high91Very high1 Ų157.8 Ų57.81%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-125133.5175.5-58.2175.6000109.3I146 C147 I188 I189 R190 L229 P230I130-I146 PolarHBondContact O-N 3.32Å; I130-C147 PolarHBondContact N-O 3.09Å; I130-C147 PolarHBondContact O-N 2.9Å; I130-I188 HydrophobicContact CG2-CG2 3.75Å; I130-I189 VanDerWaalsContact CA-O 3.28Å; I130-I189 WeakPolarHBondContact CA-O 3.45Å; I130-R190 HydrophobicContact CD1-CG 4.32Å; I130-R190 HydrophobicContact CG1-CB 4.01Å; I130-R190 HydrophobicContact CG1-CG 3.96Å; I130-L229 HydrophobicContact CG2-CD2 3.81Å; I130-P230 HydrophobicContact CD1-CG 4.02Å
131G93.9Very high91.2Very high0 Ų057.3 Ų57.30%026%0.257CS..EExtended strand (participates in β ladder)trans-161.3171.4-177.400000113.5V144 I188 I189G131-V144 CarbonylContact C-O 3.56Å; G131-V144 WeakPolarHBondContact CA-O 3.22Å; G131-I188 WeakPolarHBondContact O-CA 3.27Å; G131-I189 PolarHBondContact N-O 2.99Å; G131-I189 PolarHBondContact O-N 2.76Å
132R94.3Very high91.5Very high129 Ų12953.4 Ų53.449%0.48724%0.243SC..EExtended strand (participates in β ladder)trans-101.9138.4176.5-77.5172.1-169.3157.21.7111.6S134 M143 V144 I146 D187 I188R132-S134 PolarHBondContact O-N 3.03Å; R132-M143 CarbonylContact O-C 3.59Å; R132-M143 WeakPolarHBondContact O-CA 3.24Å; R132-M143 WeakPolarHBondContact O-CB 3.49Å; R132-V144 PolarHBondContact N-O 3.46Å; R132-V144 PolarHBondContact O-N 3.07Å; R132-I146 HydrophobicContact CB-CD1 4.06Å; R132-I146 HydrophobicContact CG-CD1 3.56Å; R132-D187 CarbonylContact C-O 3.59Å; R132-D187 VanDerWaalsContact CA-O 3.26Å; R132-D187 WeakPolarHBondContact CA-O 3.45Å; R132-I188 HydrophobicContact CG-CG1 3.87Å
133I94.9Very high91.8Very high4 Ų452.1 Ų52.12%0.02124%0.236CC..EExtended strand (participates in β ladder)trans-62.2126.6173.1-58.1-175.4000110.1I136 F141 Y183 G186 D187 I189I133-I136 HydrophobicContact CG2-CD1 4.26Å; I133-I136 HydrophobicContact CG2-CG1 3.67Å; I133-F141 HydrophobicContact CD1-CD2 4.31Å; I133-F141 HydrophobicContact CD1-CG 4.45Å; I133-F141 HydrophobicContact CG1-CD2 4.1Å; I133-F141 HydrophobicContact CG1-CE2 4.35Å; I133-F141 HydrophobicContact CG2-CB 4.31Å; I133-Y183 HydrophobicContact CD1-CD1 4.17Å; I133-Y183 HydrophobicContact CD1-CG 4.32Å; I133-G186 PolarHBondContact O-N 3.5Å; I133-D187 HydrophobicContact CD1-CB 4.02Å; I133-D187 HydrophobicContact CG1-CB 4.29Å; I133-D187 PolarHBondContact N-O 3.45Å; I133-I189 HydrophobicContact CD1-CD1 3.67Å; I133-I189 HydrophobicContact CD1-CG1 4.47Å; I133-I189 HydrophobicContact CG1-CD1 3.86Å; I133-I189 HydrophobicContact CG1-CG1 4.42Å
134S94.1Very high92.1Very high56 Ų5653.9 Ų53.939%0.39225%0.248SC..EExtended strand (participates in β ladder)trans-107.7-30178.661.20000113.7R132 F142R132-S134 PolarHBondContact O-N 3.03Å; S134-F142 PolarHBondContact N-O 3.25Å; S134-F142 PolarHBondContact OG-O 2.94Å
135S93.6Very high92.3Very high36 Ų3647.7 Ų47.725%0.25222%0.219SC..EExtended strand (participates in β ladder)trans-158.8120.5178.6176.90000111R137 F141 F142S135-R137 PolarHBondContact OG-NE 3.44Å; S135-F141 CarbonylContact O-C 3.51Å; S135-F141 WeakPolarHBondContact O-CA 3.06Å; S135-F142 PolarHBondContact N-O 3.37Å; S135-F142 PolarHBondContact O-N 3.36Å
136I92.3Very high92.4Very high55 Ų5540.6 Ų40.628%0.28219%0.193SC..EExtended strand (participates in β ladder)trans-90.8138171.5-54.1177.2000108.8I133 F141 L180 Y183I133-I136 HydrophobicContact CG2-CD1 4.26Å; I133-I136 HydrophobicContact CG2-CG1 3.67Å; I136-F141 HydrophobicContact CB-CB 4.4Å; I136-F141 HydrophobicContact CG1-CB 4.06Å; I136-L180 HydrophobicContact CG2-CB 4.17Å; I136-L180 HydrophobicContact CG2-CD1 4.28Å; I136-L180 HydrophobicContact CG2-CD2 4.47Å; I136-Y183 WeakPolarHBondContact CD1-O 3.36Å
137R91.5Very high92.6Very high129 Ų12940.4 Ų40.449%0.48719%0.192SC..EExtended strand (participates in β ladder)trans-143.5163.6178.6-55.6-172.7-172.4-170.22.1110.7S135 F139 G140 L180S135-R137 PolarHBondContact OG-NE 3.44Å; R137-F139 HydrophobicContact CB-CD1 4.26Å; R137-F139 HydrophobicContact CB-CE1 4.07Å; R137-F139 HydrophobicContact CB-CZ 4.37Å; R137-F139 PolarHBondContact O-N 2.98Å; R137-G140 CarbonylContact C-O 3.52Å; R137-G140 WeakPolarHBondContact CA-O 3.41Å; R137-G140 PolarHBondContact N-O 3.36Å; R137-G140 CarbonylContact O-C 3.57Å; R137-G140 PolarHBondContact O-N 3.46Å; R137-L180 WeakPolarHBondContact O-CD1 3.21Å
138E86Confident92.5Very high182 Ų18239.6 Ų39.685%0.8519%0.187SC*.THydrogen-bonded Turntrans-52.5-28.9-178.8-61.3171.8-177.700114.8
139F89.7Confident92.1Very high108 Ų10840.4 Ų40.447%0.47420%0.197SC..THydrogen-bonded Turntrans-95.61.7-179.661.3-100.4000114.5R137 F142 L164 P166 L167R137-F139 HydrophobicContact CB-CD1 4.26Å; R137-F139 HydrophobicContact CB-CE1 4.07Å; R137-F139 HydrophobicContact CB-CZ 4.37Å; R137-F139 PolarHBondContact O-N 2.98Å; F139-F142 AromaticContact CE2-CE2 3.82Å; F139-F142 HydrophobicContact CE2-CE2 3.82Å; F139-F142 AromaticContact CE2-CZ 3.98Å; F139-F142 HydrophobicContact CE2-CZ 3.98Å; F139-F142 AromaticContact CZ-CE2 3.82Å; F139-F142 HydrophobicContact CZ-CE2 3.82Å; F139-F142 HydrophobicContact CZ-CZ 4.14Å; F139-L164 HydrophobicContact CD2-CD1 4.26Å; F139-L164 HydrophobicContact CE2-CD1 3.97Å; F139-L164 HydrophobicContact CE2-CD2 4.41Å; F139-P166 CarbonylContact O-C 3.52Å; F139-P166 WeakPolarHBondContact O-CA 3.3Å; F139-L167 PolarHBondContact O-N 3.23Å
140G90.6Very high91.7Very high0 Ų040.7 Ų40.70%020%0.199CC..EExtended strand (participates in β ladder)trans133.1179.2-172.900000112.9R137 C165R137-G140 CarbonylContact C-O 3.52Å; R137-G140 WeakPolarHBondContact CA-O 3.41Å; R137-G140 PolarHBondContact N-O 3.36Å; R137-G140 CarbonylContact O-C 3.57Å; R137-G140 PolarHBondContact O-N 3.46Å; G140-C165 CarbonylContact C-O 3.52Å; G140-C165 WeakPolarHBondContact CA-O 3.48Å
141F93.5Very high91Very high1 Ų142.9 Ų42.90%0.00422%0.221CC..EExtended strand (participates in β ladder)trans-112.3149-179.964.3-98.7000112.6I133 S135 I136 M143 C165 V170 L180 I189 L207I133-F141 HydrophobicContact CD1-CD2 4.31Å; I133-F141 HydrophobicContact CD1-CG 4.45Å; I133-F141 HydrophobicContact CG1-CD2 4.1Å; I133-F141 HydrophobicContact CG1-CE2 4.35Å; I133-F141 HydrophobicContact CG2-CB 4.31Å; S135-F141 CarbonylContact O-C 3.51Å; S135-F141 WeakPolarHBondContact O-CA 3.06Å; I136-F141 HydrophobicContact CB-CB 4.4Å; I136-F141 HydrophobicContact CG1-CB 4.06Å; F141-M143 HydrophobicContact CE2-SD 4.08Å; F141-C165 HydrophobicContact CD1-CB 4.29Å; F141-C165 HydrophobicContact CD2-CB 4.05Å; F141-C165 HydrophobicContact CE1-CB 3.81Å; F141-C165 HydrophobicContact CE2-CB 3.53Å; F141-C165 HydrophobicContact CG-CB 4.39Å; F141-C165 HydrophobicContact CZ-CB 3.38Å; F141-C165 PolarHBondContact N-O 3.07Å; F141-C165 PolarHBondContact O-N 2.78Å; F141-V170 HydrophobicContact CD1-CG2 4.35Å; F141-V170 HydrophobicContact CE1-CG2 3.83Å; F141-L180 HydrophobicContact CD1-CD2 4.23Å; F141-I189 HydrophobicContact CE1-CD1 4.16Å; F141-I189 HydrophobicContact CE2-CD1 3.62Å; F141-I189 HydrophobicContact CZ-CD1 3.39Å; F141-L207 HydrophobicContact CE1-CD1 4.26Å; F141-L207 HydrophobicContact CZ-CD1 4.08Å
142F94.6Very high90.5Very high50 Ų5047.3 Ų47.322%0.21924%0.244CC..EExtended strand (participates in β ladder)trans-94.1140.9167.1-67.8-87.2000109.9S134 S135 F139 A163 L164S134-F142 PolarHBondContact N-O 3.25Å; S134-F142 PolarHBondContact OG-O 2.94Å; S135-F142 PolarHBondContact N-O 3.37Å; S135-F142 PolarHBondContact O-N 3.36Å; F139-F142 AromaticContact CE2-CE2 3.82Å; F139-F142 HydrophobicContact CE2-CE2 3.82Å; F139-F142 AromaticContact CE2-CZ 3.98Å; F139-F142 HydrophobicContact CE2-CZ 3.98Å; F139-F142 AromaticContact CZ-CE2 3.82Å; F139-F142 HydrophobicContact CZ-CE2 3.82Å; F139-F142 HydrophobicContact CZ-CZ 4.14Å; F142-A163 WeakPolarHBondContact CA-O 3.36Å; F142-L164 HydrophobicContact CD1-CB 4.18Å; F142-L164 HydrophobicContact CD1-CD1 4.27Å; F142-L164 HydrophobicContact CD2-CD1 4.45Å; F142-L164 HydrophobicContact CE1-CB 3.99Å; F142-L164 HydrophobicContact CE1-CD1 4.01Å; F142-L164 HydrophobicContact CE1-CD2 4.45Å; F142-L164 HydrophobicContact CE1-CG 4.37Å; F142-L164 HydrophobicContact CE2-CD1 4.19Å; F142-L164 HydrophobicContact CG-CD1 4.5Å; F142-L164 HydrophobicContact CZ-CD1 3.97Å; F142-L164 HydrophobicContact CZ-CD2 4.48Å
143M94.6Very high90.1Very high0 Ų044.5 Ų44.50%024%0.237CC..EExtended strand (participates in β ladder)trans-128.9142.917362.2-169.3-66.300110.4R132 F141 L145 T162 A163 I189 V205R132-M143 CarbonylContact O-C 3.59Å; R132-M143 WeakPolarHBondContact O-CA 3.24Å; R132-M143 WeakPolarHBondContact O-CB 3.49Å; F141-M143 HydrophobicContact CE2-SD 4.08Å; M143-L145 HydrophobicContact CE-CD2 4.15Å; M143-L145 HydrophobicContact CG-CD2 4.27Å; M143-T162 WeakPolarHBondContact O-CA 3.5Å; M143-A163 HydrophobicContact CG-CB 4.03Å; M143-A163 PolarHBondContact N-O 2.79Å; M143-A163 PolarHBondContact O-N 2.68Å; M143-I189 HydrophobicContact CE-CB 3.91Å; M143-I189 HydrophobicContact CE-CG2 3.88Å; M143-I189 HydrophobicContact SD-CG2 4.25Å; M143-V205 HydrophobicContact SD-CG1 4.34Å
144V95.4Very high89.7Confident44 Ų4446.8 Ų46.827%0.26725%0.245SC..EExtended strand (participates in β ladder)trans-90.7124.8169.8177.20000107.7G131 R132 T162G131-V144 CarbonylContact C-O 3.56Å; G131-V144 WeakPolarHBondContact CA-O 3.22Å; R132-V144 PolarHBondContact N-O 3.46Å; R132-V144 PolarHBondContact O-N 3.07Å; V144-T162 HydrophobicContact CG2-CG2 4.11Å
145L93.9Very high89.5Confident1 Ų144.5 Ų44.51%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-73.6144.4179.7-58.1-171.1000111.2F119 V129 M143 I156 I161 A163 L203F119-L145 HydrophobicContact CZ-CD1 4.06Å; V129-L145 HydrophobicContact CB-CD1 4.26Å; V129-L145 HydrophobicContact CB-CD2 3.97Å; V129-L145 HydrophobicContact CG1-CD1 4.14Å; V129-L145 HydrophobicContact CG2-CD2 3.94Å; M143-L145 HydrophobicContact CE-CD2 4.15Å; M143-L145 HydrophobicContact CG-CD2 4.27Å; L145-I156 HydrophobicContact CB-CD1 3.93Å; L145-I161 HydrophobicContact CD1-CG2 4.35Å; L145-I161 PolarHBondContact N-O 3.43Å; L145-A163 HydrophobicContact CD1-CB 4.46Å; L145-A163 HydrophobicContact CD2-CB 4Å; L145-A163 HydrophobicContact CG-CB 4.28Å; L145-L203 HydrophobicContact CD1-CD1 3.52Å
146I91.4Very high89.2Confident23 Ų2343 Ų4312%0.11822%0.218CC..EExtended strand (participates in β ladder)trans-125.7-45.3-172.5-68.2174.4000110.4I130 R132 I156 Y233I130-I146 PolarHBondContact O-N 3.32Å; R132-I146 HydrophobicContact CB-CD1 4.06Å; R132-I146 HydrophobicContact CG-CD1 3.56Å; I146-I156 WeakPolarHBondContact O-CG1 3.36Å; I146-Y233 HydrophobicContact CG2-CD2 4.38Å; I146-Y233 HydrophobicContact CG2-CE1 3.88Å; I146-Y233 HydrophobicContact CG2-CE2 3.54Å; I146-Y233 WeakPolarHBondContact CG2-OH 3.28Å
147C90.6Very high88.9Confident1 Ų142 Ų421%0.00722%0.218CC..EExtended strand (participates in β ladder)trans-152.8166177.559.90000111.8I130 Y233I130-C147 PolarHBondContact N-O 3.09Å; I130-C147 PolarHBondContact O-N 2.9Å; C147-Y233 HydrophobicContact CB-CD2 3.62Å; C147-Y233 HydrophobicContact CB-CE2 4.33Å; C147-Y233 HydrophobicContact CB-CG 3.78Å
148L89.8Confident88.5Confident8 Ų841 Ų414%0.04222%0.218CC..EExtended strand (participates in β ladder)trans-96.5140.7176.7-62.4177.1000110.7F119 I123 V129 I152 M153 R154 I156 Y232F119-L148 HydrophobicContact CE2-CD2 4.21Å; I123-L148 HydrophobicContact CD1-CD2 4.38Å; V129-L148 HydrophobicContact CG1-CD2 3.86Å; L148-I152 WeakPolarHBondContact CD1-O 3.49Å; L148-M153 HydrophobicContact CB-SD 3.89Å; L148-R154 HydrophobicContact CD1-CB 4.44Å; L148-I156 HydrophobicContact CD2-CD1 4.24Å; L148-I156 HydrophobicContact CG-CD1 4.32Å; L148-Y232 WeakPolarHBondContact CA-OH 3.25Å; L148-Y232 PolarHBondContact N-OH 3.16Å; L148-Y232 WeakPolarHBondContact O-CE1 3.32Å; L148-Y232 PolarHBondContact O-OH 3Å
149G82.1Confident88.5Confident21 Ų2132.9 Ų32.922%0.21618%0.181CC..SBendtrans-93.4-21.917300000113.6I128I128-G149 PolarHBondContact O-N 3.04Å
150S83.9Confident88.5Confident6 Ų635.2 Ų35.24%0.04219%0.193CC..SBendtrans-143.9-177.7174.770.30000111D127 I128D127-S150 VanDerWaalsContact CA-OG 3.28Å; D127-S150 WeakPolarHBondContact CA-OG 3.12Å; D127-S150 PolarHBondContact OD1-OG 2.8Å; I128-S150 PolarHBondContact N-OG 2.95Å; I128-S150 PolarHBondContact O-N 3.32Å
151G81.1Confident88.6Confident46 Ų4635.3 Ų35.347%0.47419%0.194SC..SBendtrans77.5-154.4174.900000113.3D127 M153D127-G151 VanDerWaalsContact OD1-CA 3.22Å; D127-G151 WeakPolarHBondContact OD1-CA 3.43Å; D127-G151 PolarHBondContact OD1-N 2.88Å; G151-M153 PolarHBondContact O-N 3.38Å
152I82.6Confident88.6Confident94 Ų9438.7 Ų38.748%0.48222%0.215SC..SBendtrans-82.5110.6-179.9-61.2176.3000109D122 L148 R154D122-I152 HydrophobicContact CB-CD1 4.18Å; L148-I152 WeakPolarHBondContact CD1-O 3.49Å; I152-R154 PolarHBondContact O-N 2.92Å
153M85.8Confident88.6Confident69 Ų6936.4 Ų36.434%0.3421%0.205SC..  trans-66.2126.7-178.8-56.6-57.6167.300111.7L148 G151 Y232L148-M153 HydrophobicContact CB-SD 3.89Å; G151-M153 PolarHBondContact O-N 3.38Å; M153-Y232 HydrophobicContact CE-CE1 4.19Å; M153-Y232 HydrophobicContact CG-CD1 4.46Å; M153-Y232 HydrophobicContact CG-CE1 4.11Å; M153-Y232 HydrophobicContact SD-CD1 4.28Å; M153-Y232 HydrophobicContact SD-CE1 3.42Å; M153-Y232 WeakPolarHBondContact SD-CE1 3.39Å; M153-Y232 VanDerWaalsContact SD-CZ 3.57Å; M153-Y232 PolarHBondContact SD-OH 3.34Å
154R87.5Confident88.7Confident52 Ų5238.6 Ų38.620%0.19622%0.216CC..  trans-135.1153.3-173.9-69.9-74.1177.7-155-8.9110.6E105 D122 L148 I152 I156E105-R154 WeakPolarHBondContact OE1-CD 3.23Å; E105-R154 IonicContact OE1-CZ 3.29Å; E105-R154 IonicContact OE1-NE 3.03Å; E105-R154 IonicContact OE1-NH1 2.7Å; E105-R154 PolarHBondContact OE1-NH1 3.4Å; E105-R154 WeakPolarHBondContact OE2-CA 3.48Å; E105-R154 WeakPolarHBondContact OE2-CD 3.48Å; D122-R154 IonicContact OD2-CZ 2.61Å; D122-R154 VanDerWaalsContact OD2-CZ 3.28Å; D122-R154 IonicContact OD2-NE 3.96Å; D122-R154 PolarHBondContact OD2-NE 2.96Å; D122-R154 VanDerWaalsContact OD2-NE 3.1Å; D122-R154 IonicContact OD2-NH2 2.82Å; D122-R154 PolarHBondContact OD2-NH2 3.14Å; L148-R154 HydrophobicContact CD1-CB 4.44Å; I152-R154 PolarHBondContact O-N 2.92Å; R154-I156 HydrophobicContact CB-CG2 4.03Å; R154-I156 PolarHBondContact O-N 3.28Å
155D88.1Confident88.6Confident9 Ų936.5 Ų36.55%0.04820%0.204CC..  trans-85.896.4174.7-177.246.5000111.9E105 Q106 R115 H158E105-D155 HydrophobicContact CB-CB 4.27Å; E105-D155 PolarHBondContact OE2-N 2.8Å; Q106-D155 HydrophobicContact CG-CB 3.78Å; Q106-D155 VanDerWaalsContact NE2-CG 3.31Å; Q106-D155 PolarHBondContact NE2-OD1 2.88Å; R115-D155 IonicContact CZ-OD2 2.73Å; R115-D155 PolarHBondContact NH1-O 2.95Å; R115-D155 IonicContact NH1-OD2 3.33Å; R115-D155 PolarHBondContact NH1-OD2 2.58Å; R115-D155 IonicContact NH2-OD2 3.8Å; D155-H158 IonicContact OD2-CD2 3.8Å
156I88.9Confident88.6Confident3 Ų338.1 Ų38.12%0.01521%0.214CC..  trans-108.4-11.4-173.970.3176000114.4F119 L145 I146 L148 R154 H158 L159F119-I156 HydrophobicContact CD2-CG2 3.46Å; F119-I156 VanDerWaalsContact CD2-CG2 3.46Å; F119-I156 HydrophobicContact CE2-CD1 4.08Å; F119-I156 HydrophobicContact CE2-CG2 3.82Å; F119-I156 HydrophobicContact CG-CG2 4.29Å; L145-I156 HydrophobicContact CB-CD1 3.93Å; I146-I156 WeakPolarHBondContact O-CG1 3.36Å; L148-I156 HydrophobicContact CD2-CD1 4.24Å; L148-I156 HydrophobicContact CG-CD1 4.32Å; R154-I156 HydrophobicContact CB-CG2 4.03Å; R154-I156 PolarHBondContact O-N 3.28Å; I156-H158 PolarHBondContact O-N 3.45Å; I156-H158 VanDerWaalsContact O-N 3.1Å; I156-L159 HydrophobicContact CB-CD1 4.47Å; I156-L159 HydrophobicContact CG2-CD1 4.46Å; I156-L159 WeakPolarHBondContact O-CB 3.44Å; I156-L159 PolarHBondContact O-N 3.16Å
157A84.5Confident88.4Confident34 Ų3440 Ų4028%0.28122%0.224SC..THydrogen-bonded Turntrans-59.9-28.2-171.100000113.7Y233A157-Y233 HydrophobicContact CB-CE2 4.31Å
158H84.2Confident88.3Confident109 Ų10950.8 Ų50.851%0.50527%0.265SS..THydrogen-bonded Turntrans-95.24.8178.8-59.1-71.7000114.3D155 I156 N240D155-H158 IonicContact OD2-CD2 3.8Å; I156-H158 PolarHBondContact O-N 3.45Å; I156-H158 VanDerWaalsContact O-N 3.1Å; H158-N240 PolarHBondContact NE2-ND2 2.8Å
159L86.1Confident88.2Confident12 Ų1251 Ų516%0.06327%0.266CS..SBendtrans-100.6-4.1-174.4-57.1-177.1000114.2S112 R115 R116 I156 I161S112-L159 WeakPolarHBondContact O-CD2 3.46Å; R115-L159 HydrophobicContact CB-CD1 4.03Å; R115-L159 HydrophobicContact CB-CD2 4.39Å; R116-L159 HydrophobicContact CB-CD1 4.36Å; R116-L159 PolarHBondContact NH1-O 3.18Å; I156-L159 HydrophobicContact CB-CD1 4.47Å; I156-L159 HydrophobicContact CG2-CD1 4.46Å; I156-L159 WeakPolarHBondContact O-CB 3.44Å; I156-L159 PolarHBondContact O-N 3.16Å; L159-I161 HydrophobicContact CB-CD1 3.95Å; L159-I161 HydrophobicContact CB-CG1 3.76Å; L159-I161 HydrophobicContact CD1-CD1 4.13Å; L159-I161 PolarHBondContact O-N 2.87Å; L159-I161 VanDerWaalsContact O-N 3.1Å
160E89.3Confident88.5Confident156 Ų15650.2 Ų50.273%0.72926%0.257SS*.  trans47.936.1178.6-59.4-168157.400114.5T162E160-T162 PolarHBondContact O-N 2.98Å
161I92.4Very high88.5Confident3 Ų351.1 Ų51.12%0.01526%0.263CS..  trans-71123.5-175.1-57.5-177.9000109.7F119 F120 L145 L159 L203F119-I161 HydrophobicContact CD1-CD1 3.41Å; F119-I161 VanDerWaalsContact CD1-CD1 3.41Å; F119-I161 HydrophobicContact CD2-CD1 4.36Å; F119-I161 HydrophobicContact CE1-CD1 3.48Å; F119-I161 VanDerWaalsContact CE1-CD1 3.48Å; F119-I161 HydrophobicContact CE1-CG2 3.89Å; F119-I161 HydrophobicContact CE2-CD1 4.37Å; F119-I161 HydrophobicContact CG-CD1 3.88Å; F119-I161 HydrophobicContact CZ-CD1 3.96Å; F119-I161 HydrophobicContact CZ-CG2 4.19Å; F120-I161 HydrophobicContact CE2-CD1 4.44Å; F120-I161 HydrophobicContact CZ-CG2 4.06Å; L145-I161 HydrophobicContact CD1-CG2 4.35Å; L145-I161 PolarHBondContact N-O 3.43Å; L159-I161 HydrophobicContact CB-CD1 3.95Å; L159-I161 HydrophobicContact CB-CG1 3.76Å; L159-I161 HydrophobicContact CD1-CD1 4.13Å; L159-I161 PolarHBondContact O-N 2.87Å; L159-I161 VanDerWaalsContact O-N 3.1Å; I161-L203 HydrophobicContact CG2-CD1 4.03Å
162T93.8Very high88.4Confident72 Ų7252.6 Ų52.644%0.44227%0.265SS..EExtended strand (participates in β ladder)trans-97.9134.3-178.953.50000111.8M143 V144 E160M143-T162 WeakPolarHBondContact O-CA 3.5Å; V144-T162 HydrophobicContact CG2-CG2 4.11Å; E160-T162 PolarHBondContact O-N 2.98Å
163A95.1Very high87.5Confident1 Ų154 Ų541%0.00827%0.27CS..EExtended strand (participates in β ladder)trans-115.9149.517000000110.7F142 M143 L145 L203 V205F142-A163 WeakPolarHBondContact CA-O 3.36Å; M143-A163 HydrophobicContact CG-CB 4.03Å; M143-A163 PolarHBondContact N-O 2.79Å; M143-A163 PolarHBondContact O-N 2.68Å; L145-A163 HydrophobicContact CD1-CB 4.46Å; L145-A163 HydrophobicContact CD2-CB 4Å; L145-A163 HydrophobicContact CG-CB 4.28Å; A163-L203 HydrophobicContact CB-CB 3.91Å; A163-V205 HydrophobicContact CB-CB 4.45Å; A163-V205 HydrophobicContact CB-CG2 3.73Å
164L95.6Very high86.3Confident47 Ų4753.6 Ų53.625%0.24627%0.273CS..EExtended strand (participates in β ladder)trans-107.7123175.1172.559.8000109.8F139 F142 P166 L203 A204 V205F139-L164 HydrophobicContact CD2-CD1 4.26Å; F139-L164 HydrophobicContact CE2-CD1 3.97Å; F139-L164 HydrophobicContact CE2-CD2 4.41Å; F142-L164 HydrophobicContact CD1-CB 4.18Å; F142-L164 HydrophobicContact CD1-CD1 4.27Å; F142-L164 HydrophobicContact CD2-CD1 4.45Å; F142-L164 HydrophobicContact CE1-CB 3.99Å; F142-L164 HydrophobicContact CE1-CD1 4.01Å; F142-L164 HydrophobicContact CE1-CD2 4.45Å; F142-L164 HydrophobicContact CE1-CG 4.37Å; F142-L164 HydrophobicContact CE2-CD1 4.19Å; F142-L164 HydrophobicContact CG-CD1 4.5Å; F142-L164 HydrophobicContact CZ-CD1 3.97Å; F142-L164 HydrophobicContact CZ-CD2 4.48Å; L164-P166 WeakPolarHBondContact O-CD 3.47Å; L164-L203 PolarHBondContact N-O 2.87Å; L164-A204 WeakPolarHBondContact O-CA 3.46Å; L164-V205 PolarHBondContact O-N 3Å
165C94.1Very high85.1Confident0 Ų058.3 Ų58.30%030%0.303CS..EExtended strand (participates in β ladder)trans-98.9104.5163.4-167.30000108.7G140 F141 V205G140-C165 CarbonylContact C-O 3.52Å; G140-C165 WeakPolarHBondContact CA-O 3.48Å; F141-C165 HydrophobicContact CD1-CB 4.29Å; F141-C165 HydrophobicContact CD2-CB 4.05Å; F141-C165 HydrophobicContact CE1-CB 3.81Å; F141-C165 HydrophobicContact CE2-CB 3.53Å; F141-C165 HydrophobicContact CG-CB 4.39Å; F141-C165 HydrophobicContact CZ-CB 3.38Å; F141-C165 PolarHBondContact N-O 3.07Å; F141-C165 PolarHBondContact O-N 2.78Å; C165-V205 WeakPolarHBondContact CA-O 3.3Å; C165-V205 PolarHBondContact SG-O 3Å
166P93.2Very high83.6Confident34 Ų3467 Ų6722%0.22134%0.343CS..EExtended strand (participates in β ladder)trans-72.8150.818031.7-34.8000110.6F139 L164 R168 D169F139-P166 CarbonylContact O-C 3.52Å; F139-P166 WeakPolarHBondContact O-CA 3.3Å; L164-P166 WeakPolarHBondContact O-CD 3.47Å; P166-R168 PolarHBondContact O-N 2.91Å; P166-D169 HydrophobicContact CG-CB 4.06Å; P166-D169 WeakPolarHBondContact CG-OD2 3.44Å; P166-D169 PolarHBondContact O-N 3.43Å
167L88.5Confident82.4Confident64 Ų6468.4 Ų68.434%0.33536%0.358SS..G310 helixtrans-51.7-31-176.2179.962.1000114.2F139 D169 V170 P179 L180F139-L167 PolarHBondContact O-N 3.23Å; L167-D169 PolarHBondContact O-N 3.39Å; L167-V170 PolarHBondContact O-N 3.18Å; L167-P179 HydrophobicContact CD1-CB 4.21Å; L167-P179 HydrophobicContact CD1-CG 4.28Å; L167-L180 HydrophobicContact CD1-CD1 4.14Å; L167-L180 HydrophobicContact CD1-CD2 4.08Å; L167-L180 HydrophobicContact CD1-CG 3.79Å
168R87.1Confident82.1Confident227 Ų22771.1 Ų71.186%0.85737%0.368SS*.G310 helixtrans-65.8-18.6177.2-63.5-175.6-178.7-174.80.4114.3P166 Y208P166-R168 PolarHBondContact O-N 2.91Å; R168-Y208 WeakPolarHBondContact O-CE2 3.17Å
169D88.8Confident81.8Confident12 Ų1267.5 Ų67.56%0.06435%0.354CS..G310 helixtrans-110.610.2-174-79.1-78.7000112.7P166 L167 K194 S206 L207P166-D169 HydrophobicContact CG-CB 4.06Å; P166-D169 WeakPolarHBondContact CG-OD2 3.44Å; P166-D169 PolarHBondContact O-N 3.43Å; L167-D169 PolarHBondContact O-N 3.39Å; D169-K194 WeakPolarHBondContact OD1-CD 3.47Å; D169-K194 IonicContact OD1-NZ 2.69Å; D169-K194 PolarHBondContact OD1-NZ 3.47Å; D169-K194 IonicContact OD2-NZ 2.67Å; D169-K194 PolarHBondContact OD2-NZ 2.8Å; D169-S206 WeakPolarHBondContact CB-OG 3.43Å; D169-S206 WeakPolarHBondContact OD1-CB 3.34Å; D169-S206 PolarHBondContact OD1-OG 3.18Å; D169-L207 WeakPolarHBondContact O-CB 2.98Å; D169-L207 PolarHBondContact O-N 3.05Å
170V88.3Confident81.6Confident4 Ų467.5 Ų67.52%0.02435%0.354CS..SBendtrans-102.8128.1175.5-177.90000109.5F141 L167 P179 Y183 L207 Y208F141-V170 HydrophobicContact CD1-CG2 4.35Å; F141-V170 HydrophobicContact CE1-CG2 3.83Å; L167-V170 PolarHBondContact O-N 3.18Å; V170-P179 HydrophobicContact CG1-CB 4.07Å; V170-Y183 HydrophobicContact CG1-CD2 4.4Å; V170-Y183 HydrophobicContact CG1-CE2 3.47Å; V170-Y183 VanDerWaalsContact CG1-CE2 3.47Å; V170-L207 HydrophobicContact CG1-CD1 4.34Å; V170-L207 HydrophobicContact CG2-CD1 4.49Å; V170-Y208 PolarHBondContact O-OH 2.85Å
171P83.9Confident81.3Confident26 Ų2664.6 Ų64.617%0.16935%0.351CS..  trans-70132.1177.827.7-35.8000112.2H173 L207 Y208P171-H173 PolarHBondContact O-CD2 2.87Å; P171-H173 PolarHBondContact O-N 3.34Å; P171-L207 VanDerWaalsContact CD-CB 3.44Å; P171-L207 HydrophobicContact CG-CB 4.24Å; P171-Y208 HydrophobicContact CB-CE1 4.27Å
172S78.6Confident80.9Confident76 Ų7670.7 Ų70.753%0.53137%0.374SS..  trans-79.696.1174.1570000111.2S174S172-S174 PolarHBondContact O-N 3.05Å
173H64.8Low80.7Confident124 Ų12467.7 Ų67.757%0.57436%0.355SS*.SBendtrans-72-1.7178.8-68.2-74.2000114.9P171P171-H173 PolarHBondContact O-CD2 2.87Å; P171-H173 PolarHBondContact O-N 3.34Å
174S60.3Low80.4Confident60 Ų6074.3 Ų74.342%0.4239%0.386SS..SBendtrans-144.4151.9171.478.80000111.5S172 H176 G177S172-S174 PolarHBondContact O-N 3.05Å; S174-H176 VanDerWaalsContact C-N 3.29Å; S174-H176 PolarHBondContact O-N 3.42Å; S174-G177 PolarHBondContact OG-N 3.49Å
175N61Low80.2Confident152 Ų15276.7 Ų76.781%0.81340%0.403SS*.SBendtrans-75.2-13-174.5-64.7-2.2000114.4
176H56.8Low79.9Confident191 Ų19178.7 Ų78.788%0.88442%0.423SS*.SBendtrans-141.614.1-168.9-61.4-48.5000114.6S174S174-H176 VanDerWaalsContact C-N 3.29Å; S174-H176 PolarHBondContact O-N 3.42Å
177G65.2Low79.9Confident33 Ų3379.1 Ų79.134%0.3442%0.424SS..SBendtrans-119.1158.917700000112.7S174 P179S174-G177 PolarHBondContact OG-N 3.49Å; G177-P179 WeakPolarHBondContact O-CD 3.4Å
178D77.8Confident80.2Confident91 Ų9177.2 Ų77.249%0.48741%0.414SS..  trans-62123171178.2-4.5000109.9L180 S181D178-L180 PolarHBondContact O-N 3.33Å; D178-L180 VanDerWaalsContact O-N 3.1Å; D178-L180 WeakPolarHBondContact OD1-CB 3.46Å; D178-L180 PolarHBondContact OD1-N 2.93Å; D178-S181 WeakPolarHBondContact O-CB 3.38Å; D178-S181 PolarHBondContact O-N 3.11Å; D178-S181 PolarHBondContact O-OG 3.25Å
179P77.9Confident80.5Confident33 Ų3366.4 Ų66.421%0.21437%0.373CS..G310 helixtrans-53.8-28.1176.7-26.535.3000114.4L167 V170 G177 S181 Y183L167-P179 HydrophobicContact CD1-CB 4.21Å; L167-P179 HydrophobicContact CD1-CG 4.28Å; V170-P179 HydrophobicContact CG1-CB 4.07Å; G177-P179 WeakPolarHBondContact O-CD 3.4Å; P179-S181 VanDerWaalsContact C-N 3.31Å; P179-S181 PolarHBondContact O-N 3.39Å; P179-Y183 WeakPolarHBondContact O-CD2 3.47Å; P179-Y183 WeakPolarHBondContact O-CE2 3.33Å
180L81.9Confident80.7Confident12 Ų1267 Ų676%0.06337%0.374CS..G310 helixtrans-73.6-21.5179.6-59.8174.6000113.1I136 R137 F141 L167 D178 Y182 Y183I136-L180 HydrophobicContact CG2-CB 4.17Å; I136-L180 HydrophobicContact CG2-CD1 4.28Å; I136-L180 HydrophobicContact CG2-CD2 4.47Å; R137-L180 WeakPolarHBondContact O-CD1 3.21Å; F141-L180 HydrophobicContact CD1-CD2 4.23Å; L167-L180 HydrophobicContact CD1-CD1 4.14Å; L167-L180 HydrophobicContact CD1-CD2 4.08Å; L167-L180 HydrophobicContact CD1-CG 3.79Å; D178-L180 PolarHBondContact O-N 3.33Å; D178-L180 VanDerWaalsContact O-N 3.1Å; D178-L180 WeakPolarHBondContact OD1-CB 3.46Å; D178-L180 PolarHBondContact OD1-N 2.93Å; L180-Y182 PolarHBondContact O-N 3.25Å; L180-Y182 VanDerWaalsContact O-N 3.11Å; L180-Y183 PolarHBondContact O-N 2.95Å; L180-Y183 VanDerWaalsContact O-N 3.1Å
181S82.1Confident80.9Confident94 Ų9466.9 Ų66.966%0.65737%0.374SS*.G310 helixtrans-66.3-13.3-17665.90000114.8D178 P179D178-S181 WeakPolarHBondContact O-CB 3.38Å; D178-S181 PolarHBondContact O-N 3.11Å; D178-S181 PolarHBondContact O-OG 3.25Å; P179-S181 VanDerWaalsContact C-N 3.31Å; P179-S181 PolarHBondContact O-N 3.39Å
182Y84.9Confident81.3Confident131 Ų13165.7 Ų65.751%0.51437%0.366SS..G310 helixtrans-77.8-22.1174.8-178.7-107.7000113.4L180 V223L180-Y182 PolarHBondContact O-N 3.25Å; L180-Y182 VanDerWaalsContact O-N 3.11Å; Y182-V223 HydrophobicContact CD1-CG2 4.44Å; Y182-V223 HydrophobicContact CE1-CG2 3.89Å
183Y88.4Confident82Confident10 Ų1062.1 Ų62.14%0.03934%0.34CS..  trans-107.1145.5-168.2-58.9-85.7000112.3I133 I136 V170 P179 L180 I189 L207 V223I133-Y183 HydrophobicContact CD1-CD1 4.17Å; I133-Y183 HydrophobicContact CD1-CG 4.32Å; I136-Y183 WeakPolarHBondContact CD1-O 3.36Å; V170-Y183 HydrophobicContact CG1-CD2 4.4Å; V170-Y183 HydrophobicContact CG1-CE2 3.47Å; V170-Y183 VanDerWaalsContact CG1-CE2 3.47Å; P179-Y183 WeakPolarHBondContact O-CD2 3.47Å; P179-Y183 WeakPolarHBondContact O-CE2 3.33Å; L180-Y183 PolarHBondContact O-N 2.95Å; L180-Y183 VanDerWaalsContact O-N 3.1Å; Y183-I189 HydrophobicContact CD1-CD1 3.73Å; Y183-I189 HydrophobicContact CE1-CD1 3.8Å; Y183-L207 HydrophobicContact CE1-CD1 4.32Å; Y183-L207 WeakPolarHBondContact OH-CD1 3.2Å; Y183-V223 HydrophobicContact CD1-CG2 3.62Å; Y183-V223 HydrophobicContact CE1-CG2 3.61Å
184Q90.3Very high83.3Confident139 Ų13960.2 Ų60.265%0.6533%0.331SS*.  trans-125.2150.4-179.8-56.1-170.926.900112G186 D187Q184-G186 PolarHBondContact O-N 3.26Å; Q184-D187 PolarHBondContact N-OD2 3.08Å; Q184-D187 WeakPolarHBondContact O-CB 3.5Å; Q184-D187 VanDerWaalsContact O-CG 3.26Å; Q184-D187 PolarHBondContact O-N 2.85Å; Q184-D187 VanDerWaalsContact O-N 3.1Å
185T90.7Very high84.8Confident98 Ų9860.6 Ų60.660%0.60133%0.328SS*.THydrogen-bonded Turntrans-65.2123.1177.4-55.50000110
186G88.6Confident86.3Confident42 Ų4255.1 Ų55.143%0.43330%0.298SS..THydrogen-bonded Turntrans107-17.2-172.500000114.7I133 Q184I133-G186 PolarHBondContact O-N 3.5Å; Q184-G186 PolarHBondContact O-N 3.26Å
187D92.9Very high88Confident43 Ų4348.7 Ų48.723%0.2327%0.27CS..  trans-58.3140178.4-73.2-11.4000111.7R132 I133 Q184 V223R132-D187 CarbonylContact C-O 3.59Å; R132-D187 VanDerWaalsContact CA-O 3.26Å; R132-D187 WeakPolarHBondContact CA-O 3.45Å; I133-D187 HydrophobicContact CD1-CB 4.02Å; I133-D187 HydrophobicContact CG1-CB 4.29Å; I133-D187 PolarHBondContact N-O 3.45Å; Q184-D187 PolarHBondContact N-OD2 3.08Å; Q184-D187 WeakPolarHBondContact O-CB 3.5Å; Q184-D187 VanDerWaalsContact O-CG 3.26Å; Q184-D187 PolarHBondContact O-N 2.85Å; Q184-D187 VanDerWaalsContact O-N 3.1Å; D187-V223 HydrophobicContact CB-CG1 4.41Å
188I93.8Very high89.2Confident24 Ų2453.3 Ų53.312%0.12328%0.277CS..EExtended strand (participates in β ladder)trans-87.2126173.9-58.8173.8000108.6I130 G131 R132 V223 I224 L229I130-I188 HydrophobicContact CG2-CG2 3.75Å; G131-I188 WeakPolarHBondContact O-CA 3.27Å; R132-I188 HydrophobicContact CG-CG1 3.87Å; I188-V223 WeakPolarHBondContact O-CA 3.38Å; I188-I224 HydrophobicContact CG2-CB 4.38Å; I188-I224 HydrophobicContact CG2-CG2 4.39Å; I188-I224 PolarHBondContact O-N 3.11Å; I188-L229 HydrophobicContact CD1-CD1 4.45Å; I188-L229 HydrophobicContact CG2-CD2 4.14Å
189I93.1Very high89.7Confident0 Ų059.3 Ų59.30%030%0.295CS..EExtended strand (participates in β ladder)trans-119.7137.6178.9-76.5-176.5000110.8I130 G131 I133 F141 M143 Y183 A191 L207 G222 V223I130-I189 VanDerWaalsContact CA-O 3.28Å; I130-I189 WeakPolarHBondContact CA-O 3.45Å; G131-I189 PolarHBondContact N-O 2.99Å; G131-I189 PolarHBondContact O-N 2.76Å; I133-I189 HydrophobicContact CD1-CD1 3.67Å; I133-I189 HydrophobicContact CD1-CG1 4.47Å; I133-I189 HydrophobicContact CG1-CD1 3.86Å; I133-I189 HydrophobicContact CG1-CG1 4.42Å; F141-I189 HydrophobicContact CE1-CD1 4.16Å; F141-I189 HydrophobicContact CE2-CD1 3.62Å; F141-I189 HydrophobicContact CZ-CD1 3.39Å; M143-I189 HydrophobicContact CE-CB 3.91Å; M143-I189 HydrophobicContact CE-CG2 3.88Å; M143-I189 HydrophobicContact SD-CG2 4.25Å; Y183-I189 HydrophobicContact CD1-CD1 3.73Å; Y183-I189 HydrophobicContact CE1-CD1 3.8Å; I189-A191 HydrophobicContact CG2-CB 3.9Å; I189-L207 HydrophobicContact CG2-CD2 3.73Å; I189-G222 VanDerWaalsContact CA-O 3.29Å; I189-G222 WeakPolarHBondContact CA-O 3.28Å; I189-V223 HydrophobicContact CG1-CG2 4.28Å
190R93.1Very high90.3Very high25 Ų2563.5 Ų63.59%0.09431%0.311CS..EExtended strand (participates in β ladder)trans-105125.8164.1-177.6-169.2-67.4-179.2-2.6108.4I128 V129 I130 K220 L221 G222 I224 E228I128-R190 HydrophobicContact CG2-CG 3.45Å; I128-R190 VanDerWaalsContact CG2-CG 3.45Å; V129-R190 WeakPolarHBondContact O-CA 3.37Å; I130-R190 HydrophobicContact CD1-CG 4.32Å; I130-R190 HydrophobicContact CG1-CB 4.01Å; I130-R190 HydrophobicContact CG1-CG 3.96Å; R190-K220 WeakPolarHBondContact CD-O 3.48Å; R190-L221 HydrophobicContact CG-CD2 4.24Å; R190-L221 WeakPolarHBondContact O-CA 3.46Å; R190-G222 PolarHBondContact N-O 3.13Å; R190-G222 PolarHBondContact O-N 3.46Å; R190-I224 HydrophobicContact CB-CD1 3.76Å; R190-I224 HydrophobicContact CB-CG1 3.51Å; R190-E228 PolarHBondContact NH2-O 3.05Å
191A92.6Very high90.7Very high1 Ų166.4 Ų66.41%0.00833%0.325CS..EExtended strand (participates in β ladder)trans-149.9157.8-171.800000112.1I128 V129 I189 V205 L207I128-A191 WeakPolarHBondContact CA-O 3.4Å; V129-A191 PolarHBondContact N-O 3.16Å; V129-A191 PolarHBondContact O-N 3Å; I189-A191 HydrophobicContact CG2-CB 3.9Å; A191-V205 HydrophobicContact CB-CG1 3.2Å; A191-L207 HydrophobicContact CB-CD2 3.65Å; A191-L207 HydrophobicContact CB-CG 4.48Å
192G92.9Very high91.1Very high0 Ų067.8 Ų67.80%032%0.319CS..EExtended strand (participates in β ladder)trans-94.4143179.400000113D127 K194 V205 S206D127-G192 CarbonylContact O-C 3.6Å; D127-G192 WeakPolarHBondContact O-CA 3.13Å; G192-K194 PolarHBondContact O-N 3.09Å; G192-V205 CarbonylContact O-C 3.6Å; G192-V205 WeakPolarHBondContact O-CA 3.32Å; G192-S206 PolarHBondContact N-O 3.1Å; G192-S206 PolarHBondContact O-N 3.47Å
193I93.5Very high91.6Very high1 Ų161.8 Ų61.81%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-76.5125177.8-60.8175.4000110.6I123 G126 D127 V129 I196I123-I193 HydrophobicContact CD1-CD1 3.33Å; I123-I193 HydrophobicContact CG1-CD1 3.35Å; G126-I193 PolarHBondContact N-O 2.92Å; D127-I193 HydrophobicContact CB-CD1 3.89Å; D127-I193 WeakPolarHBondContact O-CG1 3.47Å; D127-I193 PolarHBondContact O-N 3.12Å; V129-I193 HydrophobicContact CG1-CD1 3.59Å; V129-I193 HydrophobicContact CG1-CG1 3.68Å; V129-I193 HydrophobicContact CG2-CG1 4.31Å; I193-I196 HydrophobicContact CG2-CD1 3.92Å; I193-I196 HydrophobicContact CG2-CG1 3.52Å
194K91.6Very high91.9Very high84 Ų8462.7 Ų62.737%0.36531%0.305SS..EExtended strand (participates in β ladder)trans-97.9-48.7179.8-176.9172.1-178.8169.20112.4R125 D169 G192 A204R125-K194 WeakPolarHBondContact CD-O 3.49Å; R125-K194 WeakPolarHBondContact CG-O 3.49Å; R125-K194 PolarHBondContact NE-O 3.02Å; D169-K194 WeakPolarHBondContact OD1-CD 3.47Å; D169-K194 IonicContact OD1-NZ 2.69Å; D169-K194 PolarHBondContact OD1-NZ 3.47Å; D169-K194 IonicContact OD2-NZ 2.67Å; D169-K194 PolarHBondContact OD2-NZ 2.8Å; G192-K194 PolarHBondContact O-N 3.09Å; K194-A204 PolarHBondContact N-O 3.04Å
195D91Very high92.1Very high68 Ų6856 Ų5636%0.36427%0.274SS..EExtended strand (participates in β ladder)trans-141.5145.1179.3-73.6-58.6000111.9R125 A204R125-D195 IonicContact CZ-OD1 2.59Å; R125-D195 VanDerWaalsContact CZ-OD1 3.25Å; R125-D195 IonicContact NE-OD1 3.44Å; R125-D195 PolarHBondContact NE-OD1 3.05Å; R125-D195 IonicContact NH2-OD1 2.69Å; R125-D195 PolarHBondContact NH2-OD1 3.12Å; D195-A204 HydrophobicContact CB-CB 4.13Å; D195-A204 PolarHBondContact N-O 3.33Å; D195-A204 VanDerWaalsContact N-O 3.1Å; D195-A204 PolarHBondContact O-N 2.88Å
196I92.9Very high92.2Very high37 Ų3751.5 Ų51.519%0.1925%0.246CC..EExtended strand (participates in β ladder)trans-128.2118.5-178.3-56.7159.1000107.9F120 I123 E124 I193 R198 L203F120-I196 HydrophobicContact CD1-CG2 4.48Å; I123-I196 HydrophobicContact CG2-CD1 4.1Å; I123-I196 HydrophobicContact CG2-CG2 4.29Å; I123-I196 WeakPolarHBondContact O-CD1 3.46Å; E124-I196 VanDerWaalsContact C-CD1 3.46Å; I193-I196 HydrophobicContact CG2-CD1 3.92Å; I193-I196 HydrophobicContact CG2-CG1 3.52Å; I196-R198 HydrophobicContact CG2-CG 3.72Å; I196-L203 HydrophobicContact CB-CD2 4.23Å; I196-L203 HydrophobicContact CG1-CD2 3.9Å; I196-L203 HydrophobicContact CG2-CD2 3.89Å
197D91.9Very high92.4Very high56 Ų5649.9 Ų49.930%0.29923%0.228SC..EExtended strand (participates in β ladder)trans-100.695168.5-175.6-18.3000108.9Y199 H200 E201 K202D197-Y199 PolarHBondContact O-N 3.44Å; D197-Y199 PolarHBondContact OD1-N 2.95Å; D197-H200 IonicContact OD1-CG 3.49Å; D197-H200 PolarHBondContact OD1-N 3.41Å; D197-H200 IonicContact OD1-ND1 2.72Å; D197-H200 PolarHBondContact OD1-ND1 2.87Å; D197-H200 IonicContact OD2-CE1 2.65Å; D197-H200 IonicContact OD2-CG 3.76Å; D197-H200 IonicContact OD2-ND1 3.57Å; D197-H200 PolarHBondContact OD2-ND1 3.41Å; D197-E201 WeakPolarHBondContact O-CA 3.13Å; D197-E201 PolarHBondContact O-N 2.99Å; D197-K202 HydrophobicContact CB-CB 4.17Å; D197-K202 PolarHBondContact N-O 3.47Å; D197-K202 PolarHBondContact O-N 2.91Å; D197-K202 VanDerWaalsContact O-N 3.14Å
198R91.6Very high92.2Very high130 Ų13052.1 Ų52.149%0.49123%0.233SC..THydrogen-bonded Turntrans-69.5-12.6179.3-64.5-176172.5163.8-2.9113.8F120 R121 I123 I196F120-R198 VanDerWaalsContact O-CD 3.27Å; F120-R198 WeakPolarHBondContact O-CD 3.46Å; F120-R198 PolarHBondContact O-NE 3.06Å; R121-R198 PolarHBondContact O-NH2 3.07Å; R121-R198 VanDerWaalsContact O-NH2 3.1Å; I123-R198 PolarHBondContact O-NH2 2.74Å; I196-R198 HydrophobicContact CG2-CG 3.72Å
199Y88.6Confident91.7Very high218 Ų21854.3 Ų54.386%0.85525%0.251SS*.THydrogen-bonded Turntrans-92.8-32.6179.3-71.2-76.8000112.8D197D197-Y199 PolarHBondContact O-N 3.44Å; D197-Y199 PolarHBondContact OD1-N 2.95Å
200H89.4Confident91.3Very high120 Ų12059.6 Ų59.656%0.55629%0.287SS*.THydrogen-bonded Turntrans-108.27.7177.5-54103.8000113.8D197 K202D197-H200 IonicContact OD1-CG 3.49Å; D197-H200 PolarHBondContact OD1-N 3.41Å; D197-H200 IonicContact OD1-ND1 2.72Å; D197-H200 PolarHBondContact OD1-ND1 2.87Å; D197-H200 IonicContact OD2-CE1 2.65Å; D197-H200 IonicContact OD2-CG 3.76Å; D197-H200 IonicContact OD2-ND1 3.57Å; D197-H200 PolarHBondContact OD2-ND1 3.41Å; H200-K202 VanDerWaalsContact C-N 3.31Å; H200-K202 HydrophobicContact CB-CD 3.9Å; H200-K202 HydrophobicContact CB-CG 4.33Å; H200-K202 PolarHBondContact O-N 3.27Å
201E89.9Confident90.8Very high73 Ų7359.4 Ų59.434%0.34129%0.29SS..THydrogen-bonded Turntrans55.439.6-179.8-59.9-172.2124.700113.8R116 F120 D197R116-E201 WeakPolarHBondContact CD-OE1 3.27Å; R116-E201 WeakPolarHBondContact CG-OE1 3.3Å; R116-E201 IonicContact CZ-OE1 2.66Å; R116-E201 IonicContact CZ-OE2 3.02Å; R116-E201 VanDerWaalsContact CZ-OE2 3.29Å; R116-E201 IonicContact NE-OE1 3.91Å; R116-E201 PolarHBondContact NE-OE1 3.2Å; R116-E201 IonicContact NE-OE2 2.66Å; R116-E201 PolarHBondContact NE-OE2 3.25Å; R116-E201 IonicContact NH2-OE1 3.25Å; R116-E201 IonicContact NH2-OE2 3.82Å; R116-E201 PolarHBondContact NH2-OE2 3.4Å; F120-E201 HydrophobicContact CD2-CB 4.31Å; F120-E201 HydrophobicContact CD2-CG 4.03Å; F120-E201 HydrophobicContact CE1-CB 4.29Å; F120-E201 HydrophobicContact CE2-CB 3.59Å; F120-E201 HydrophobicContact CE2-CG 3.76Å; F120-E201 HydrophobicContact CZ-CB 3.59Å; F120-E201 HydrophobicContact CZ-CG 4.22Å; F120-E201 WeakPolarHBondContact CZ-O 3.47Å; D197-E201 WeakPolarHBondContact O-CA 3.13Å; D197-E201 PolarHBondContact O-N 2.99Å
202K92.2Very high90.4Very high124 Ų12460.2 Ų60.254%0.53929%0.294SS..EExtended strand (participates in β ladder)trans-109.9137.4-178-66.6160.5-168.8161.80111.4D197 H200D197-K202 HydrophobicContact CB-CB 4.17Å; D197-K202 PolarHBondContact N-O 3.47Å; D197-K202 PolarHBondContact O-N 2.91Å; D197-K202 VanDerWaalsContact O-N 3.14Å; H200-K202 VanDerWaalsContact C-N 3.31Å; H200-K202 HydrophobicContact CB-CD 3.9Å; H200-K202 HydrophobicContact CB-CG 4.33Å; H200-K202 PolarHBondContact O-N 3.27Å
203L94.6Very high89.9Confident5 Ų562 Ų623%0.02631%0.306CS..EExtended strand (participates in β ladder)trans-116.5131.4174.5-61175.6000110F119 F120 L145 I161 A163 L164 I196F119-L203 HydrophobicContact CE1-CD1 3.94Å; F119-L203 HydrophobicContact CZ-CD1 3.84Å; F120-L203 HydrophobicContact CE1-CD1 4.48Å; F120-L203 HydrophobicContact CE1-CD2 3.94Å; F120-L203 HydrophobicContact CE1-CG 4.04Å; L145-L203 HydrophobicContact CD1-CD1 3.52Å; I161-L203 HydrophobicContact CG2-CD1 4.03Å; A163-L203 HydrophobicContact CB-CB 3.91Å; L164-L203 PolarHBondContact N-O 2.87Å; I196-L203 HydrophobicContact CB-CD2 4.23Å; I196-L203 HydrophobicContact CG1-CD2 3.9Å; I196-L203 HydrophobicContact CG2-CD2 3.89Å
204A94.3Very high89.2Confident28 Ų2867.4 Ų67.423%0.23134%0.341CS..EExtended strand (participates in β ladder)trans-109.8132.3167.100000109.6L164 K194 D195L164-A204 WeakPolarHBondContact O-CA 3.46Å; K194-A204 PolarHBondContact N-O 3.04Å; D195-A204 HydrophobicContact CB-CB 4.13Å; D195-A204 PolarHBondContact N-O 3.33Å; D195-A204 VanDerWaalsContact N-O 3.1Å; D195-A204 PolarHBondContact O-N 2.88Å
205V95Very high88.4Confident0 Ų069.6 Ų69.60%035%0.352CS..EExtended strand (participates in β ladder)trans-130.1147.6-164.3165.70000110V129 M143 A163 L164 C165 A191 G192V129-V205 HydrophobicContact CG2-CG1 4.17Å; V129-V205 HydrophobicContact CG2-CG2 3.97Å; M143-V205 HydrophobicContact SD-CG1 4.34Å; A163-V205 HydrophobicContact CB-CB 4.45Å; A163-V205 HydrophobicContact CB-CG2 3.73Å; L164-V205 PolarHBondContact O-N 3Å; C165-V205 WeakPolarHBondContact CA-O 3.3Å; C165-V205 PolarHBondContact SG-O 3Å; A191-V205 HydrophobicContact CB-CG1 3.2Å; G192-V205 CarbonylContact O-C 3.6Å; G192-V205 WeakPolarHBondContact O-CA 3.32Å
206S93.6Very high87.7Confident2 Ų266.9 Ų66.91%0.01434%0.338CS..EExtended strand (participates in β ladder)trans-132146.7-174.5-169.50000112.5D169 G192 Y208D169-S206 WeakPolarHBondContact CB-OG 3.43Å; D169-S206 WeakPolarHBondContact OD1-CB 3.34Å; D169-S206 PolarHBondContact OD1-OG 3.18Å; G192-S206 PolarHBondContact N-O 3.1Å; G192-S206 PolarHBondContact O-N 3.47Å; S206-Y208 PolarHBondContact OG-N 2.92Å
207L91.5Very high86.6Confident9 Ų968.4 Ų68.45%0.04735%0.352CS..  trans-99.61.5178.1-68.3172.9000112.8F141 D169 V170 P171 Y183 I189 A191 L221F141-L207 HydrophobicContact CE1-CD1 4.26Å; F141-L207 HydrophobicContact CZ-CD1 4.08Å; D169-L207 WeakPolarHBondContact O-CB 2.98Å; D169-L207 PolarHBondContact O-N 3.05Å; V170-L207 HydrophobicContact CG1-CD1 4.34Å; V170-L207 HydrophobicContact CG2-CD1 4.49Å; P171-L207 VanDerWaalsContact CD-CB 3.44Å; P171-L207 HydrophobicContact CG-CB 4.24Å; Y183-L207 HydrophobicContact CE1-CD1 4.32Å; Y183-L207 WeakPolarHBondContact OH-CD1 3.2Å; I189-L207 HydrophobicContact CG2-CD2 3.73Å; A191-L207 HydrophobicContact CB-CD2 3.65Å; A191-L207 HydrophobicContact CB-CG 4.48Å; L207-L221 HydrophobicContact CD2-CB 4.43Å
208Y89.5Confident85.8Confident90 Ų9069.3 Ų69.335%0.35338%0.375SS..SBendtrans-85136.1172.3-65.6-65.9000111.7R168 V170 P171 S206 S210 S211R168-Y208 WeakPolarHBondContact O-CE2 3.17Å; V170-Y208 PolarHBondContact O-OH 2.85Å; P171-Y208 HydrophobicContact CB-CE1 4.27Å; S206-Y208 PolarHBondContact OG-N 2.92Å; Y208-S210 WeakPolarHBondContact CB-OG 3.42Å; Y208-S210 PolarHBondContact O-N 3.01Å; Y208-S210 VanDerWaalsContact O-N 3.13Å; Y208-S211 WeakPolarHBondContact O-CB 3.38Å; Y208-S211 PolarHBondContact O-N 3.2Å; Y208-S211 PolarHBondContact O-OG 2.68Å
209S83.8Confident85.4Confident70 Ų7065.3 Ų65.349%0.4936%0.362SS..G310 helixtrans-61.6-17.6174.752.80000113.7S211 L212S209-S211 PolarHBondContact O-N 3.43Å; S209-L212 WeakPolarHBondContact O-CB 3.49Å; S209-L212 PolarHBondContact O-N 3.03Å
210S83.7Confident85.1Confident110 Ų11063 Ų6377%0.76936%0.357SS*.G310 helixtrans-67-10.1170.556.10000114.4Y208Y208-S210 WeakPolarHBondContact CB-OG 3.42Å; Y208-S210 PolarHBondContact O-N 3.01Å; Y208-S210 VanDerWaalsContact O-N 3.13Å
211S83.3Confident85.1Confident22 Ų2258.9 Ų58.915%0.15434%0.339CS..G310 helixtrans-79.7-18.4167.964.40000113.3G126 Y208 S209G126-S211 WeakPolarHBondContact CA-O 3.43Å; Y208-S211 WeakPolarHBondContact O-CB 3.38Å; Y208-S211 PolarHBondContact O-N 3.2Å; Y208-S211 PolarHBondContact O-OG 2.68Å; S209-S211 PolarHBondContact O-N 3.43Å
212L84.5Confident85Confident18 Ų1855.9 Ų55.99%0.09433%0.327CS..SBendtrans-91.6150.5-173.6-56.5-177.2000112.6I128 S209 L216 L221I128-L212 HydrophobicContact CD1-CD1 4.42Å; I128-L212 HydrophobicContact CD1-CD2 4.26Å; I128-L212 HydrophobicContact CG1-CD2 3.69Å; S209-L212 WeakPolarHBondContact O-CB 3.49Å; S209-L212 PolarHBondContact O-N 3.03Å; L212-L216 HydrophobicContact CB-CB 4.29Å; L212-L216 HydrophobicContact CD1-CB 4.42Å; L212-L216 WeakPolarHBondContact CD1-O 3.34Å; L212-L221 HydrophobicContact CD1-CD1 4.08Å; L212-L221 HydrophobicContact CD1-CD2 4.12Å; L212-L221 HydrophobicContact CD1-CG 4.15Å; L212-L221 HydrophobicContact CD2-CD1 4.28Å; L212-L221 HydrophobicContact CG-CD1 4.13Å
213P82.3Confident84.9Confident37 Ų3752.6 Ų52.624%0.2432%0.317CS..  trans-55.3151.7163.8-24.734.5000111.9G126 H215 L216 S217G126-P213 WeakPolarHBondContact O-CD 3.46Å; P213-H215 VanDerWaalsContact CB-CE1 3.41Å; P213-H215 WeakPolarHBondContact CB-CE1 3.31Å; P213-H215 PolarHBondContact O-N 3.03Å; P213-H215 VanDerWaalsContact O-N 3.11Å; P213-L216 HydrophobicContact CG-CD1 4.43Å; P213-L216 PolarHBondContact O-N 2.97Å; P213-S217 PolarHBondContact O-N 3.16Å
214P77.9Confident84.7Confident115 Ų11553 Ų5375%0.74732%0.319SS*.G310 helixtrans-58.3-32-17722.4-33.5000113.2L216 S217P214-L216 VanDerWaalsContact C-N 3.3Å; P214-L216 PolarHBondContact O-N 3.5Å; P214-S217 WeakPolarHBondContact O-CB 3.45Å; P214-S217 PolarHBondContact O-N 2.9Å; P214-S217 PolarHBondContact O-OG 2.78Å
215H75.4Confident84.5Confident129 Ų12954 Ų5460%0.59733%0.325SS*.G310 helixtrans-74-13.9177.967.2-93.5000114.4P213P213-H215 VanDerWaalsContact CB-CE1 3.41Å; P213-H215 WeakPolarHBondContact CB-CE1 3.31Å; P213-H215 PolarHBondContact O-N 3.03Å; P213-H215 VanDerWaalsContact O-N 3.11Å
216L75.2Confident84Confident11 Ų1157.7 Ų57.76%0.05835%0.351CS..G310 helixtrans-106.5-0.7174-58.1-176.8000112.7I90 I128 L212 P213 P214 G218 I219I90-L216 HydrophobicContact CD1-CD2 4.47Å; I128-L216 HydrophobicContact CD1-CB 4.39Å; I128-L216 HydrophobicContact CD1-CD1 4.05Å; I128-L216 HydrophobicContact CG1-CD1 4.29Å; L212-L216 HydrophobicContact CB-CB 4.29Å; L212-L216 HydrophobicContact CD1-CB 4.42Å; L212-L216 WeakPolarHBondContact CD1-O 3.34Å; P213-L216 HydrophobicContact CG-CD1 4.43Å; P213-L216 PolarHBondContact O-N 2.97Å; P214-L216 VanDerWaalsContact C-N 3.3Å; P214-L216 PolarHBondContact O-N 3.5Å; L216-G218 PolarHBondContact O-N 2.66Å; L216-I219 HydrophobicContact CB-CD1 4.23Å; L216-I219 HydrophobicContact CD2-CD1 3.93Å; L216-I219 WeakPolarHBondContact O-CB 3.26Å; L216-I219 PolarHBondContact O-N 3.03Å
217S71.2Confident83.5Confident69 Ų6965.4 Ų65.448%0.48339%0.387SS..THydrogen-bonded Turntrans-62.9-17.3-171.564.20000115.5P213 P214P213-S217 PolarHBondContact O-N 3.16Å; P214-S217 WeakPolarHBondContact O-CB 3.45Å; P214-S217 PolarHBondContact O-N 2.9Å; P214-S217 PolarHBondContact O-OG 2.78Å
218G75.1Confident83.1Confident76 Ų7669 Ų6978%0.78440%0.403SS*.THydrogen-bonded Turntrans-80.3-12.7173.300000115L216L216-G218 PolarHBondContact O-N 2.66Å
219I81.8Confident83Confident45 Ų4565.8 Ų65.823%0.23139%0.392CS..SBendtrans-76.5127-177.8-60.2176.2000109.8I128 L216 L221I128-I219 HydrophobicContact CD1-CB 4.27Å; I128-I219 HydrophobicContact CD1-CD1 3.66Å; I128-I219 HydrophobicContact CD1-CG2 4.08Å; L216-I219 HydrophobicContact CB-CD1 4.23Å; L216-I219 HydrophobicContact CD2-CD1 3.93Å; L216-I219 WeakPolarHBondContact O-CB 3.26Å; L216-I219 PolarHBondContact O-N 3.03Å; I219-L221 PolarHBondContact O-N 2.98Å
220K84Confident83.2Confident170 Ų17063.6 Ų63.674%0.73938%0.376SS*.PPolyproline II helixtrans-66.8127.7176-63.1172.9-172.2163.70110.3R190R190-K220 WeakPolarHBondContact CD-O 3.48Å
221L87.9Confident83.2Confident33 Ų3359.9 Ų59.917%0.17335%0.347CS..PPolyproline II helixtrans-102.3149.4168.2-57.2-175.3000109.4R190 L207 L212 I219R190-L221 HydrophobicContact CG-CD2 4.24Å; R190-L221 WeakPolarHBondContact O-CA 3.46Å; L207-L221 HydrophobicContact CD2-CB 4.43Å; L212-L221 HydrophobicContact CD1-CD1 4.08Å; L212-L221 HydrophobicContact CD1-CD2 4.12Å; L212-L221 HydrophobicContact CD1-CG 4.15Å; L212-L221 HydrophobicContact CD2-CD1 4.28Å; L212-L221 HydrophobicContact CG-CD1 4.13Å; I219-L221 PolarHBondContact O-N 2.98Å
222G87.6Confident83.3Confident10 Ų1059.7 Ų59.710%0.10334%0.343CS..EExtended strand (participates in β ladder)trans138.8-157.5-175.800000113.3I189 R190 I224I189-G222 VanDerWaalsContact CA-O 3.29Å; I189-G222 WeakPolarHBondContact CA-O 3.28Å; R190-G222 PolarHBondContact N-O 3.13Å; R190-G222 PolarHBondContact O-N 3.46Å; G222-I224 WeakPolarHBondContact O-CG1 3.42Å
223V90.3Very high83.5Confident55 Ų5560.4 Ų60.433%0.33335%0.345SS..EExtended strand (participates in β ladder)trans-75139.2172.7-176.80000109.8Y182 Y183 D187 I188 I189Y182-V223 HydrophobicContact CD1-CG2 4.44Å; Y182-V223 HydrophobicContact CE1-CG2 3.89Å; Y183-V223 HydrophobicContact CD1-CG2 3.62Å; Y183-V223 HydrophobicContact CE1-CG2 3.61Å; D187-V223 HydrophobicContact CB-CG1 4.41Å; I188-V223 WeakPolarHBondContact O-CA 3.38Å; I189-V223 HydrophobicContact CG1-CG2 4.28Å
224I91.3Very high83.7Confident13 Ų1362.3 Ų62.37%0.06735%0.347CS..  trans-137139.6-162.9-70.7-86.6000109.3I188 R190 G222 E228I188-I224 HydrophobicContact CG2-CB 4.38Å; I188-I224 HydrophobicContact CG2-CG2 4.39Å; I188-I224 PolarHBondContact O-N 3.11Å; R190-I224 HydrophobicContact CB-CD1 3.76Å; R190-I224 HydrophobicContact CB-CG1 3.51Å; G222-I224 WeakPolarHBondContact O-CG1 3.42Å; I224-E228 HydrophobicContact CG2-CB 3.67Å
225S89.4Confident84Confident49 Ų4959.4 Ų59.434%0.34332%0.322SS..  trans-76.9162.2176.272.30000112.7E227 E228S225-E227 PolarHBondContact O-N 2.9Å; S225-E227 PolarHBondContact OG-N 2.72Å; S225-E228 WeakPolarHBondContact CB-OE1 3.47Å; S225-E228 PolarHBondContact N-OE1 3.12Å; S225-E228 PolarHBondContact O-N 3.07Å; S225-E228 VanDerWaalsContact O-N 3.08Å; S225-E228 PolarHBondContact OG-N 2.99Å; S225-E228 PolarHBondContact OG-OE1 3.11Å
226S85.4Confident84.5Confident78 Ų7853.4 Ų53.455%0.54529%0.294SS..G310 helixtrans-61-21.516845.50000113.1E228 R234S226-E228 VanDerWaalsContact C-N 3.28Å; S226-R234 PolarHBondContact O-NH2 3.44Å
227E82.8Confident85Confident165 Ų16555.8 Ų55.877%0.77131%0.309SS*.G310 helixtrans-80.2-6.7177.1-67.1177.8-156.800112.8S225 R234S225-E227 PolarHBondContact O-N 2.9Å; S225-E227 PolarHBondContact OG-N 2.72Å; E227-R234 PolarHBondContact O-NH2 2.94Å
228E83.9Confident85.4Confident85 Ų8557.7 Ų57.740%0.39731%0.31SS..G310 helixtrans-111.112.3174.8-70.8159.9-87.800113.7R190 I224 S225 S226R190-E228 PolarHBondContact NH2-O 3.05Å; I224-E228 HydrophobicContact CG2-CB 3.67Å; S225-E228 WeakPolarHBondContact CB-OE1 3.47Å; S225-E228 PolarHBondContact N-OE1 3.12Å; S225-E228 PolarHBondContact O-N 3.07Å; S225-E228 VanDerWaalsContact O-N 3.08Å; S225-E228 PolarHBondContact OG-N 2.99Å; S225-E228 PolarHBondContact OG-OE1 3.11Å; S226-E228 VanDerWaalsContact C-N 3.28Å
229L86.6Confident85.7Confident21 Ų2155 Ų5511%0.1128%0.278CS..SBendtrans-76.4138.5171.9-69.2174.7000111.6I130 I188 Y233 R234I130-L229 HydrophobicContact CG2-CD2 3.81Å; I188-L229 HydrophobicContact CD1-CD1 4.45Å; I188-L229 HydrophobicContact CG2-CD2 4.14Å; L229-Y233 HydrophobicContact CB-CD1 4.46Å; L229-Y233 HydrophobicContact CD1-CD1 4.26Å; L229-Y233 HydrophobicContact CD1-CE1 4.19Å; L229-R234 PolarHBondContact O-NH2 3.16Å; L229-R234 VanDerWaalsContact O-NH2 3.13Å
230P87.1Confident85.5Confident24 Ų2457.2 Ų57.216%0.15629%0.29CS..  trans-54.9140.1-178.8-27.634.7000114.2I130 Y232 Y233 R234I130-P230 HydrophobicContact CD1-CG 4.02Å; P230-Y232 VanDerWaalsContact C-N 3.29Å; P230-Y232 HydrophobicContact CB-CD1 3.62Å; P230-Y232 HydrophobicContact CB-CE1 3.53Å; P230-Y232 HydrophobicContact CG-CE1 4.1Å; P230-Y232 PolarHBondContact O-N 3.2Å; P230-Y233 WeakPolarHBondContact O-CB 3.28Å; P230-Y233 PolarHBondContact O-N 2.93Å; P230-R234 PolarHBondContact O-N 2.65Å
231L84.2Confident85.1Confident33 Ų3353.3 Ų53.317%0.17328%0.284CS..Hα-helixtrans-56.8-38.1-178.4-70.9-170.8000114.2E95 V100 Y233 R234 R235E95-L231 HydrophobicContact CB-CD1 3.74Å; E95-L231 HydrophobicContact CG-CD1 3.87Å; E95-L231 HydrophobicContact CG-CG 4.47Å; E95-L231 WeakPolarHBondContact OE1-CG 3.23Å; E95-L231 WeakPolarHBondContact OE2-CD1 3.48Å; E95-L231 WeakPolarHBondContact OE2-CG 3.48Å; V100-L231 HydrophobicContact CG1-CB 4.41Å; L231-Y233 PolarHBondContact O-N 3.36Å; L231-R234 PolarHBondContact O-N 3.42Å; L231-R235 PolarHBondContact O-N 3.1Å
232Y86.3Confident84.3Confident17 Ų1755.8 Ų55.87%0.06730%0.298CS..Hα-helixtrans-59.8-35.2177.882.7-100.9000111.4P103 L148 M153 P230 S236P103-Y232 HydrophobicContact CG-CD2 4.22Å; P103-Y232 HydrophobicContact CG-CE2 4.25Å; L148-Y232 WeakPolarHBondContact CA-OH 3.25Å; L148-Y232 PolarHBondContact N-OH 3.16Å; L148-Y232 WeakPolarHBondContact O-CE1 3.32Å; L148-Y232 PolarHBondContact O-OH 3Å; M153-Y232 HydrophobicContact CE-CE1 4.19Å; M153-Y232 HydrophobicContact CG-CD1 4.46Å; M153-Y232 HydrophobicContact CG-CE1 4.11Å; M153-Y232 HydrophobicContact SD-CD1 4.28Å; M153-Y232 HydrophobicContact SD-CE1 3.42Å; M153-Y232 WeakPolarHBondContact SD-CE1 3.39Å; M153-Y232 VanDerWaalsContact SD-CZ 3.57Å; M153-Y232 PolarHBondContact SD-OH 3.34Å; P230-Y232 VanDerWaalsContact C-N 3.29Å; P230-Y232 HydrophobicContact CB-CD1 3.62Å; P230-Y232 HydrophobicContact CB-CE1 3.53Å; P230-Y232 HydrophobicContact CG-CE1 4.1Å; P230-Y232 PolarHBondContact O-N 3.2Å; Y232-S236 PolarHBondContact O-N 3.27Å; Y232-S236 VanDerWaalsContact O-N 3.08Å
233Y87.6Confident83.2Confident33 Ų3360.6 Ų60.613%0.12933%0.33CS..Hα-helixtrans-75.3-39.4179.6177.1-101.5000111.2I146 C147 A157 L229 P230 L231 R235 S236 V237I146-Y233 HydrophobicContact CG2-CD2 4.38Å; I146-Y233 HydrophobicContact CG2-CE1 3.88Å; I146-Y233 HydrophobicContact CG2-CE2 3.54Å; I146-Y233 WeakPolarHBondContact CG2-OH 3.28Å; C147-Y233 HydrophobicContact CB-CD2 3.62Å; C147-Y233 HydrophobicContact CB-CE2 4.33Å; C147-Y233 HydrophobicContact CB-CG 3.78Å; A157-Y233 HydrophobicContact CB-CE2 4.31Å; L229-Y233 HydrophobicContact CB-CD1 4.46Å; L229-Y233 HydrophobicContact CD1-CD1 4.26Å; L229-Y233 HydrophobicContact CD1-CE1 4.19Å; P230-Y233 WeakPolarHBondContact O-CB 3.28Å; P230-Y233 PolarHBondContact O-N 2.93Å; L231-Y233 PolarHBondContact O-N 3.36Å; Y233-R235 VanDerWaalsContact C-N 3.35Å; Y233-R235 PolarHBondContact O-N 2.88Å; Y233-S236 WeakPolarHBondContact CA-OG 3.17Å; Y233-S236 WeakPolarHBondContact CD2-OG 3.41Å; Y233-S236 PolarHBondContact O-N 3.19Å; Y233-S236 VanDerWaalsContact O-N 3.12Å; Y233-S236 PolarHBondContact O-OG 3.47Å; Y233-V237 HydrophobicContact CD1-CG2 4.33Å; Y233-V237 HydrophobicContact CE1-CG2 3.65Å; Y233-V237 HydrophobicContact CE2-CG2 3.96Å; Y233-V237 VanDerWaalsContact CZ-CG2 3.41Å; Y233-V237 PolarHBondContact O-N 2.91Å; Y233-V237 WeakPolarHBondContact OH-CG2 3.32Å
234R86.6Confident82Confident77 Ų7766 Ų6629%0.29136%0.355SS..Hα-helixtrans-55.4-51.5171.9-67.5-171.1178.4121.416.1111.3S226 E227 L229 P230 L231 S236 V237 E238S226-R234 PolarHBondContact O-NH2 3.44Å; E227-R234 PolarHBondContact O-NH2 2.94Å; L229-R234 PolarHBondContact O-NH2 3.16Å; L229-R234 VanDerWaalsContact O-NH2 3.13Å; P230-R234 PolarHBondContact O-N 2.65Å; L231-R234 PolarHBondContact O-N 3.42Å; R234-S236 VanDerWaalsContact C-N 3.25Å; R234-S236 PolarHBondContact O-N 3.11Å; R234-V237 PolarHBondContact O-N 3.01Å; R234-E238 WeakPolarHBondContact O-CG 3.18Å; R234-E238 PolarHBondContact O-N 3.31Å
235R84.7Confident81.1Confident55 Ų5569 Ų6921%0.20837%0.369CS..Hα-helixtrans-57.1-37.6176.5-69.6177.5-178.2169.23.9111.8V100 P102 L231 Y233 V237 E238 L239V100-R235 PolarHBondContact O-NH1 3.42Å; P102-R235 HydrophobicContact CG-CB 3.76Å; L231-R235 PolarHBondContact O-N 3.1Å; Y233-R235 VanDerWaalsContact C-N 3.35Å; Y233-R235 PolarHBondContact O-N 2.88Å; R235-V237 PolarHBondContact O-N 3.32Å; R235-E238 WeakPolarHBondContact CA-OE2 3.26Å; R235-E238 WeakPolarHBondContact O-CB 3.21Å; R235-E238 PolarHBondContact O-N 2.82Å; R235-L239 VanDerWaalsContact O-CG 3.26Å; R235-L239 WeakPolarHBondContact O-CG 3.24Å; R235-L239 PolarHBondContact O-N 2.95Å
236S85.6Confident80.8Confident2 Ų269.5 Ų69.51%0.01437%0.373CS..Hα-helixtrans-66.3-34.6173.971.30000115.2Q106 Y232 Y233 R234 L239 N240Q106-S236 VanDerWaalsContact CD-CB 3.47Å; Y232-S236 PolarHBondContact O-N 3.27Å; Y232-S236 VanDerWaalsContact O-N 3.08Å; Y233-S236 WeakPolarHBondContact CA-OG 3.17Å; Y233-S236 WeakPolarHBondContact CD2-OG 3.41Å; Y233-S236 PolarHBondContact O-N 3.19Å; Y233-S236 VanDerWaalsContact O-N 3.12Å; Y233-S236 PolarHBondContact O-OG 3.47Å; R234-S236 VanDerWaalsContact C-N 3.25Å; R234-S236 PolarHBondContact O-N 3.11Å; S236-L239 PolarHBondContact O-N 2.61Å; S236-N240 WeakPolarHBondContact O-CB 3.27Å; S236-N240 PolarHBondContact O-N 3.06Å; S236-N240 PolarHBondContact O-ND2 2.82Å
237V84.9Confident80.8Confident61 Ų6169.8 Ų69.837%0.3736%0.363SS..Hα-helixtrans-72.2-35.9176.3176.20000110.7Y233 R234 R235 S241Y233-V237 HydrophobicContact CD1-CG2 4.33Å; Y233-V237 HydrophobicContact CE1-CG2 3.65Å; Y233-V237 HydrophobicContact CE2-CG2 3.96Å; Y233-V237 VanDerWaalsContact CZ-CG2 3.41Å; Y233-V237 PolarHBondContact O-N 2.91Å; Y233-V237 WeakPolarHBondContact OH-CG2 3.32Å; R234-V237 PolarHBondContact O-N 3.01Å; R235-V237 PolarHBondContact O-N 3.32Å; V237-S241 PolarHBondContact O-N 2.99Å; V237-S241 PolarHBondContact O-OG 3.01Å
238E81.4Confident80.9Confident109 Ų10968.1 Ų68.151%0.50936%0.355SS..Hα-helixtrans-61.2-44.4171.3-68.8158.4-174.300110.7R234 R235 S241 N242R234-E238 WeakPolarHBondContact O-CG 3.18Å; R234-E238 PolarHBondContact O-N 3.31Å; R235-E238 WeakPolarHBondContact CA-OE2 3.26Å; R235-E238 WeakPolarHBondContact O-CB 3.21Å; R235-E238 PolarHBondContact O-N 2.82Å; E238-S241 CarbonylContact O-C 3.58Å; E238-S241 WeakPolarHBondContact O-CA 3.14Å; E238-S241 VanDerWaalsContact O-CB 3.29Å; E238-S241 WeakPolarHBondContact O-CB 3.46Å; E238-S241 PolarHBondContact O-N 3.36Å; E238-S241 VanDerWaalsContact O-N 3.09Å; E238-N242 WeakPolarHBondContact O-CB 3.37Å; E238-N242 PolarHBondContact O-N 3.09Å
239L81.1Confident81Confident20 Ų2068 Ų6811%0.10536%0.357CS..Hα-helixtrans-68-40177.5-67.6173000114.6P102 F107 R235 S236 S241 N242 S243 E245 I250P102-L239 HydrophobicContact CB-CD1 4.45Å; P102-L239 HydrophobicContact CG-CD1 3.84Å; F107-L239 HydrophobicContact CE1-CD1 3.8Å; F107-L239 HydrophobicContact CZ-CD1 3.49Å; F107-L239 VanDerWaalsContact CZ-CD1 3.49Å; R235-L239 VanDerWaalsContact O-CG 3.26Å; R235-L239 WeakPolarHBondContact O-CG 3.24Å; R235-L239 PolarHBondContact O-N 2.95Å; S236-L239 PolarHBondContact O-N 2.61Å; L239-S241 PolarHBondContact O-N 3.19Å; L239-S241 VanDerWaalsContact O-N 3.15Å; L239-N242 CarbonylContact O-C 3.56Å; L239-N242 PolarHBondContact O-N 2.94Å; L239-N242 VanDerWaalsContact O-N 3.12Å; L239-S243 PolarHBondContact O-N 3.29Å; L239-E245 HydrophobicContact CD2-CB 3.58Å; L239-E245 HydrophobicContact CD2-CG 4.48Å; L239-I250 HydrophobicContact CD1-CD1 3.86Å; L239-I250 HydrophobicContact CD2-CD1 3.36Å; L239-I250 HydrophobicContact CD2-CG1 3.82Å; L239-I250 HydrophobicContact CG-CD1 4.21Å
240N76.1Confident81Confident92 Ų9267.3 Ų67.349%0.49235%0.353SS..Hα-helixtrans-62.7-17.3172.2-77.9-34.2000112.5H158 S236H158-N240 PolarHBondContact NE2-ND2 2.8Å; S236-N240 WeakPolarHBondContact O-CB 3.27Å; S236-N240 PolarHBondContact O-N 3.06Å; S236-N240 PolarHBondContact O-ND2 2.82Å
241S77.5Confident80.9Confident87 Ų8768.5 Ų68.561%0.60836%0.357SS*.Hα-helixtrans-90.5-41170.1-49.50000112V237 E238 L239V237-S241 PolarHBondContact O-N 2.99Å; V237-S241 PolarHBondContact O-OG 3.01Å; E238-S241 CarbonylContact O-C 3.58Å; E238-S241 WeakPolarHBondContact O-CA 3.14Å; E238-S241 VanDerWaalsContact O-CB 3.29Å; E238-S241 WeakPolarHBondContact O-CB 3.46Å; E238-S241 PolarHBondContact O-N 3.36Å; E238-S241 VanDerWaalsContact O-N 3.09Å; L239-S241 PolarHBondContact O-N 3.19Å; L239-S241 VanDerWaalsContact O-N 3.15Å
242N69.1Low81Confident86 Ų8672.4 Ų72.446%0.4638%0.375SS..  trans-104.467.7-176-66.5-1.3000111.8E238 L239 L244 E245E238-N242 WeakPolarHBondContact O-CB 3.37Å; E238-N242 PolarHBondContact O-N 3.09Å; L239-N242 CarbonylContact O-C 3.56Å; L239-N242 PolarHBondContact O-N 2.94Å; L239-N242 VanDerWaalsContact O-N 3.12Å; N242-L244 PolarHBondContact O-N 2.99Å; N242-E245 HydrophobicContact CB-CG 4.2Å; N242-E245 VanDerWaalsContact CB-OE1 3.24Å; N242-E245 WeakPolarHBondContact CB-OE1 3.25Å; N242-E245 PolarHBondContact ND2-OE1 3.11Å; N242-E245 PolarHBondContact O-N 2.88Å
243S65.3Low80.9Confident111 Ų11175.8 Ų75.878%0.77640%0.401SS*.THydrogen-bonded Turntrans-63.214.1-172.659.70000117.7L239L239-S243 PolarHBondContact O-N 3.29Å
244L64.6Low80.7Confident167 Ų16774.3 Ų74.387%0.87440%0.395SS*.THydrogen-bonded Turntrans-118.8-0.2178.8-65.4175.4000113.6N242 S246N242-L244 PolarHBondContact O-N 2.99Å; L244-S246 PolarHBondContact O-N 2.73Å
245E72.9Confident80.6Confident77 Ų7776.4 Ų76.436%0.3641%0.412SS..  trans-83.9114.2-179.1-70.7-175.5-143.700112.2L239 N242 I250L239-E245 HydrophobicContact CD2-CB 3.58Å; L239-E245 HydrophobicContact CD2-CG 4.48Å; N242-E245 HydrophobicContact CB-CG 4.2Å; N242-E245 VanDerWaalsContact CB-OE1 3.24Å; N242-E245 WeakPolarHBondContact CB-OE1 3.25Å; N242-E245 PolarHBondContact ND2-OE1 3.11Å; N242-E245 PolarHBondContact O-N 2.88Å; E245-I250 HydrophobicContact CB-CD1 4.11Å; E245-I250 HydrophobicContact CB-CG1 4.2Å
246S82.8Confident80.6Confident59 Ų5973.9 Ų73.941%0.41340%0.403SS..  trans-78.6149174.955.20000112L244 E248 N249 I250L244-S246 PolarHBondContact O-N 2.73Å; S246-E248 PolarHBondContact O-N 3.45Å; S246-N249 WeakPolarHBondContact O-CB 3.48Å; S246-N249 PolarHBondContact O-N 3.05Å; S246-N249 VanDerWaalsContact OG-CG 3.31Å; S246-N249 PolarHBondContact OG-ND2 3.46Å; S246-N249 PolarHBondContact OG-OD1 2.91Å; S246-I250 WeakPolarHBondContact O-CD1 3.27Å; S246-I250 PolarHBondContact O-N 3.03Å
247Y86.3Confident80.6Confident85 Ų8578.8 Ų78.833%0.33342%0.424SS..Hα-helixtrans-42.8-43.6179.9179.6-100.2000114.5M101 L104 F107 N249 I250 M251M101-Y247 HydrophobicContact CB-CE2 4.32Å; M101-Y247 HydrophobicContact CE-CD2 3.57Å; M101-Y247 HydrophobicContact CE-CE2 3.43Å; M101-Y247 VanDerWaalsContact CE-CE2 3.43Å; M101-Y247 HydrophobicContact CE-CG 4.19Å; M101-Y247 WeakPolarHBondContact CE-O 3.25Å; M101-Y247 HydrophobicContact CG-CE2 4.23Å; L104-Y247 HydrophobicContact CD1-CD2 4.37Å; L104-Y247 HydrophobicContact CD1-CE2 4.24Å; F107-Y247 HydrophobicContact CD1-CD2 4.47Å; F107-Y247 AromaticContact CD2-CD2 3.77Å; F107-Y247 HydrophobicContact CD2-CD2 3.77Å; F107-Y247 HydrophobicContact CE1-CD2 4.41Å; F107-Y247 AromaticContact CE2-CD2 3.7Å; F107-Y247 HydrophobicContact CE2-CD2 3.7Å; F107-Y247 HydrophobicContact CE2-CE2 4.37Å; F107-Y247 HydrophobicContact CG-CD2 4.16Å; F107-Y247 HydrophobicContact CZ-CD2 4.02Å; Y247-N249 PolarHBondContact O-N 2.81Å; Y247-I250 PolarHBondContact O-N 3.49Å; Y247-M251 HydrophobicContact CD1-CE 4.1Å; Y247-M251 HydrophobicContact CE1-CE 3.35Å; Y247-M251 PolarHBondContact O-N 3.04Å; Y247-M251 VanDerWaalsContact O-N 3.12Å
248E85.7Confident80.6Confident129 Ų12981 Ų8160%0.60344%0.437SS*.Hα-helixtrans-65.3-35.5179.8-62.2-174.1171.100113.4S246 I250 M251 Q252S246-E248 PolarHBondContact O-N 3.45Å; E248-I250 VanDerWaalsContact C-N 3.33Å; E248-M251 PolarHBondContact O-N 3.15Å; E248-Q252 WeakPolarHBondContact O-CB 3.48Å; E248-Q252 VanDerWaalsContact O-CG 3.25Å; E248-Q252 WeakPolarHBondContact O-CG 3.42Å; E248-Q252 PolarHBondContact O-N 3.23Å
249N85.8Confident80.9Confident82 Ų8278.2 Ų78.244%0.43943%0.426SS..Hα-helixtrans-67.7-37.5179.9-64.6-6.8000111.1S246 Y247 Q252 S253S246-N249 WeakPolarHBondContact O-CB 3.48Å; S246-N249 PolarHBondContact O-N 3.05Å; S246-N249 VanDerWaalsContact OG-CG 3.31Å; S246-N249 PolarHBondContact OG-ND2 3.46Å; S246-N249 PolarHBondContact OG-OD1 2.91Å; Y247-N249 PolarHBondContact O-N 2.81Å; N249-Q252 PolarHBondContact O-N 3.34Å; N249-S253 WeakPolarHBondContact O-CB 3.1Å; N249-S253 PolarHBondContact O-N 3.17Å; N249-S253 PolarHBondContact O-OG 3.45Å
250I84.9Confident81.2Confident7 Ų783.4 Ų83.44%0.03646%0.461CS..Hα-helixtrans-74.9-34.5-178.8-57.9139.6000110.7M101 F107 L239 E245 S246 Y247 E248 S253 S254M101-I250 HydrophobicContact CE-CB 4.05Å; M101-I250 HydrophobicContact CE-CG2 3.99Å; M101-I250 HydrophobicContact SD-CG2 4.39Å; F107-I250 HydrophobicContact CE1-CD1 3.46Å; F107-I250 VanDerWaalsContact CE1-CD1 3.46Å; F107-I250 HydrophobicContact CZ-CD1 3.76Å; L239-I250 HydrophobicContact CD1-CD1 3.86Å; L239-I250 HydrophobicContact CD2-CD1 3.36Å; L239-I250 HydrophobicContact CD2-CG1 3.82Å; L239-I250 HydrophobicContact CG-CD1 4.21Å; E245-I250 HydrophobicContact CB-CD1 4.11Å; E245-I250 HydrophobicContact CB-CG1 4.2Å; S246-I250 WeakPolarHBondContact O-CD1 3.27Å; S246-I250 PolarHBondContact O-N 3.03Å; Y247-I250 PolarHBondContact O-N 3.49Å; E248-I250 VanDerWaalsContact C-N 3.33Å; I250-S253 WeakPolarHBondContact CA-OG 3.2Å; I250-S253 PolarHBondContact O-OG 3.01Å; I250-S254 PolarHBondContact O-N 3.11Å
251M86.4Confident81.6Confident50 Ų5080.4 Ų80.425%0.24645%0.452CS..Hα-helixtrans-61.8-52168.7-172.5-169.6-57.100110M101 Y247 E248 S253 S254 F257M101-M251 HydrophobicContact CE-CB 4.03Å; M101-M251 HydrophobicContact SD-CB 4.02Å; M101-M251 HydrophobicContact SD-CG 4.5Å; Y247-M251 HydrophobicContact CD1-CE 4.1Å; Y247-M251 HydrophobicContact CE1-CE 3.35Å; Y247-M251 PolarHBondContact O-N 3.04Å; Y247-M251 VanDerWaalsContact O-N 3.12Å; E248-M251 PolarHBondContact O-N 3.15Å; M251-S253 VanDerWaalsContact C-N 3.35Å; M251-S253 PolarHBondContact O-N 3.3Å; M251-S254 PolarHBondContact O-N 3.04Å; M251-S254 VanDerWaalsContact O-N 3.17Å; M251-S254 PolarHBondContact O-OG 2.99Å; M251-F257 HydrophobicContact CG-CB 4.47Å; M251-F257 HydrophobicContact CG-CD2 3.59Å; M251-F257 HydrophobicContact CG-CE2 3.88Å; M251-F257 HydrophobicContact CG-CG 3.96Å; M251-F257 HydrophobicContact CG-CZ 4.48Å; M251-F257 WeakPolarHBondContact O-CB 3.19Å; M251-F257 HydrophobicContact SD-CD2 3.86Å; M251-F257 HydrophobicContact SD-CE2 3.52Å; M251-F257 VanDerWaalsContact SD-CE2 3.52Å; M251-F257 HydrophobicContact SD-CZ 4.1Å
252Q85.7Confident82.1Confident114 Ų11477.2 Ų77.253%0.53343%0.428SS..Hα-helixtrans-67.3-28.1-177.8-71.1173.940.100114.1E248 N249 S254 F257E248-Q252 WeakPolarHBondContact O-CB 3.48Å; E248-Q252 VanDerWaalsContact O-CG 3.25Å; E248-Q252 WeakPolarHBondContact O-CG 3.42Å; E248-Q252 PolarHBondContact O-N 3.23Å; N249-Q252 PolarHBondContact O-N 3.34Å; Q252-S254 VanDerWaalsContact C-N 3.35Å; Q252-F257 HydrophobicContact CG-CD1 4.48Å; Q252-F257 HydrophobicContact CG-CE1 4.12Å
253S83.3Confident82.9Confident88 Ų8878 Ų7862%0.61544%0.436SS*.Hα-helixtrans-79.8-15.5174.869.30000113.5N249 I250 M251N249-S253 WeakPolarHBondContact O-CB 3.1Å; N249-S253 PolarHBondContact O-N 3.17Å; N249-S253 PolarHBondContact O-OG 3.45Å; I250-S253 WeakPolarHBondContact CA-OG 3.2Å; I250-S253 PolarHBondContact O-OG 3.01Å; M251-S253 VanDerWaalsContact C-N 3.35Å; M251-S253 PolarHBondContact O-N 3.3Å
254S85.3Confident83.8Confident3 Ų379.9 Ų79.92%0.02143%0.433CS..SBendtrans-77131.6-178.777.50000112.6A99 I250 M251 Q252 G256 F257A99-S254 WeakPolarHBondContact CB-OG 3.4Å; I250-S254 PolarHBondContact O-N 3.11Å; M251-S254 PolarHBondContact O-N 3.04Å; M251-S254 VanDerWaalsContact O-N 3.17Å; M251-S254 PolarHBondContact O-OG 2.99Å; Q252-S254 VanDerWaalsContact C-N 3.35Å; S254-G256 VanDerWaalsContact C-N 3.29Å; S254-G256 PolarHBondContact O-N 3.36Å; S254-F257 WeakPolarHBondContact O-CB 3.43Å; S254-F257 PolarHBondContact O-N 3.17Å; S254-F257 WeakPolarHBondContact OG-CB 3.29Å
255L83.4Confident84.8Confident120 Ų12074.1 Ų74.163%0.62840%0.401SS*.Hα-helixtrans-57.5-42.1-179.6-57.9179.6000111.9F257 V258 N259L255-F257 PolarHBondContact O-N 3.16Å; L255-F257 VanDerWaalsContact O-N 3.14Å; L255-V258 PolarHBondContact O-N 2.98Å; L255-N259 PolarHBondContact O-N 3.29Å
256G84.2Confident85.3Confident3 Ų373.5 Ų73.53%0.03140%0.4CS..Hα-helixtrans-69.23.1174.400000116.1Y98 A99 S254 V262Y98-G256 CarbonylContact C-O 3.21Å; Y98-G256 VanDerWaalsContact C-O 3.24Å; Y98-G256 VanDerWaalsContact CA-O 3.22Å; Y98-G256 WeakPolarHBondContact CA-O 3.41Å; A99-G256 PolarHBondContact N-O 3.47Å; S254-G256 VanDerWaalsContact C-N 3.29Å; S254-G256 PolarHBondContact O-N 3.36Å; G256-V262 WeakPolarHBondContact O-CG2 3.43Å
257F86Confident85.2Confident104 Ų10472.9 Ų72.946%0.45639%0.391SS..Hα-helixtrans-97.7-30.1163.1-175.5-105.7000112.3A99 M251 Q252 S254 L255A99-F257 HydrophobicContact CB-CB 4.14Å; M251-F257 HydrophobicContact CG-CB 4.47Å; M251-F257 HydrophobicContact CG-CD2 3.59Å; M251-F257 HydrophobicContact CG-CE2 3.88Å; M251-F257 HydrophobicContact CG-CG 3.96Å; M251-F257 HydrophobicContact CG-CZ 4.48Å; M251-F257 WeakPolarHBondContact O-CB 3.19Å; M251-F257 HydrophobicContact SD-CD2 3.86Å; M251-F257 HydrophobicContact SD-CE2 3.52Å; M251-F257 VanDerWaalsContact SD-CE2 3.52Å; M251-F257 HydrophobicContact SD-CZ 4.1Å; Q252-F257 HydrophobicContact CG-CD1 4.48Å; Q252-F257 HydrophobicContact CG-CE1 4.12Å; S254-F257 WeakPolarHBondContact O-CB 3.43Å; S254-F257 PolarHBondContact O-N 3.17Å; S254-F257 WeakPolarHBondContact OG-CB 3.29Å; L255-F257 PolarHBondContact O-N 3.16Å; L255-F257 VanDerWaalsContact O-N 3.14Å
258V85.3Confident85Confident107 Ų10775.9 Ų75.965%0.64841%0.408SS*.Hα-helixtrans-85.6-18.8-177.8-1760000112L255L255-V258 PolarHBondContact O-N 2.98Å
259N87.4Confident84.8Confident52 Ų5273.7 Ų73.728%0.27840%0.397SS..  trans-61.4124.7177.9172.1-4000111.6D96 L255 G261 V262D96-N259 PolarHBondContact O-ND2 2.98Å; L255-N259 PolarHBondContact O-N 3.29Å; N259-G261 VanDerWaalsContact C-N 3.31Å; N259-G261 PolarHBondContact O-N 3.26Å; N259-G261 PolarHBondContact OD1-N 3.05Å; N259-V262 HydrophobicContact CB-CG2 3.58Å; N259-V262 WeakPolarHBondContact O-CB 3.44Å; N259-V262 WeakPolarHBondContact O-CG2 3.43Å; N259-V262 PolarHBondContact O-N 2.91Å
260P86.8Confident84.4Confident129 Ų12975 Ų7584%0.83840%0.404SS*.THydrogen-bonded Turntrans-70.9-22.1-176.329.1-36000114.1V262P260-V262 VanDerWaalsContact C-N 3.3Å
261G85.3Confident83.8Confident28 Ų2877 Ų7729%0.28943%0.425SS..THydrogen-bonded Turntrans-81.5-4.1178.700000114.4N259 V263 E264 F265N259-G261 VanDerWaalsContact C-N 3.31Å; N259-G261 PolarHBondContact O-N 3.26Å; N259-G261 PolarHBondContact OD1-N 3.05Å; G261-V263 PolarHBondContact O-N 3.01Å; G261-E264 PolarHBondContact O-N 3.42Å; G261-E264 VanDerWaalsContact O-N 3.13Å; G261-F265 PolarHBondContact O-N 2.59Å
262V88.1Confident83.4Confident20 Ų2077.5 Ų77.512%0.12143%0.429CS..Hα-helixtrans-56.7-36.6-175.81720000112.2H97 G256 N259 P260 L266H97-V262 WeakPolarHBondContact O-CG2 3.29Å; G256-V262 WeakPolarHBondContact O-CG2 3.43Å; N259-V262 HydrophobicContact CB-CG2 3.58Å; N259-V262 WeakPolarHBondContact O-CB 3.44Å; N259-V262 WeakPolarHBondContact O-CG2 3.43Å; N259-V262 PolarHBondContact O-N 2.91Å; P260-V262 VanDerWaalsContact C-N 3.3Å; V262-L266 HydrophobicContact CG1-CD1 3.64Å; V262-L266 HydrophobicContact CG1-CG 4.16Å; V262-L266 VanDerWaalsContact O-CB 3.22Å; V262-L266 WeakPolarHBondContact O-CB 3.39Å; V262-L266 WeakPolarHBondContact O-CG 3.45Å; V262-L266 PolarHBondContact O-N 3.43Å
263V85.3Confident82.7Confident102 Ų10275.7 Ų75.762%0.61842%0.422SS*.Hα-helixtrans-67.7-46.3179.3-178.20000110.9G261 L266 L267G261-V263 PolarHBondContact O-N 3.01Å; V263-L266 PolarHBondContact O-N 3.1Å; V263-L267 HydrophobicContact CG1-CD1 3.93Å; V263-L267 HydrophobicContact CG1-CG 4.38Å; V263-L267 VanDerWaalsContact O-CB 3.32Å; V263-L267 WeakPolarHBondContact O-CB 3.05Å; V263-L267 WeakPolarHBondContact O-CG 3.44Å; V263-L267 PolarHBondContact O-N 3.42Å
264E84.7Confident81.9Confident152 Ų15279.4 Ų79.471%0.7143%0.43SS*.Hα-helixtrans-63-47.7178.4-170.9172.7-169.200111G261 L266 L267 E268G261-E264 PolarHBondContact O-N 3.42Å; G261-E264 VanDerWaalsContact O-N 3.13Å; E264-L266 PolarHBondContact O-N 3.35Å; E264-L267 PolarHBondContact O-N 3.02Å; E264-E268 PolarHBondContact O-N 3.13Å
265F84.4Confident81Confident45 Ų4583.5 Ų83.520%0.19746%0.459CS..Hα-helixtrans-62.3-41.5176.7179.5-94.7000113.2H97 Y98 G261 K269H97-F265 HydrophobicContact CB-CD1 3.79Å; H97-F265 HydrophobicContact CB-CD2 3.99Å; H97-F265 HydrophobicContact CB-CE1 3.74Å; H97-F265 HydrophobicContact CB-CE2 3.92Å; H97-F265 HydrophobicContact CB-CG 3.92Å; H97-F265 HydrophobicContact CB-CZ 3.8Å; Y98-F265 HydrophobicContact CD1-CD1 4.22Å; Y98-F265 AromaticContact CD1-CE1 3.49Å; Y98-F265 HydrophobicContact CD1-CE1 3.49Å; Y98-F265 VanDerWaalsContact CD1-CE1 3.49Å; Y98-F265 HydrophobicContact CD1-CZ 4.31Å; Y98-F265 AromaticContact CE1-CE1 3.98Å; Y98-F265 HydrophobicContact CE1-CE1 3.98Å; Y98-F265 HydrophobicContact CE1-CZ 4.48Å; Y98-F265 HydrophobicContact CG-CE1 4.36Å; G261-F265 PolarHBondContact O-N 2.59Å; F265-K269 HydrophobicContact CE1-CD 3.88Å; F265-K269 HydrophobicContact CZ-CD 4.28Å; F265-K269 VanDerWaalsContact O-CB 3.23Å; F265-K269 WeakPolarHBondContact O-CB 3.5Å; F265-K269 PolarHBondContact O-N 3.18Å
266L83.2Confident80.1Confident65 Ų6581.3 Ų81.334%0.3445%0.448SS..Hα-helixtrans-71.8-32.8176.5-71.7176.8000112.4Y98 V262 V263 E264 L270Y98-L266 HydrophobicContact CG-CD2 4.47Å; V262-L266 HydrophobicContact CG1-CD1 3.64Å; V262-L266 HydrophobicContact CG1-CG 4.16Å; V262-L266 VanDerWaalsContact O-CB 3.22Å; V262-L266 WeakPolarHBondContact O-CB 3.39Å; V262-L266 WeakPolarHBondContact O-CG 3.45Å; V262-L266 PolarHBondContact O-N 3.43Å; V263-L266 PolarHBondContact O-N 3.1Å; E264-L266 PolarHBondContact O-N 3.35Å; L266-L270 VanDerWaalsContact O-CB 3.26Å; L266-L270 WeakPolarHBondContact O-CB 3.43Å; L266-L270 WeakPolarHBondContact O-CD1 3.21Å; L266-L270 WeakPolarHBondContact O-CG 3.44Å; L266-L270 PolarHBondContact O-N 3.36Å
267L82.5Confident79.1Confident45 Ų4585.7 Ų85.724%0.23648%0.476CS..Hα-helixtrans-63.9-47.2172.3-76.4171.3000110.7V263 E264 L270 G271 I272 E274V263-L267 HydrophobicContact CG1-CD1 3.93Å; V263-L267 HydrophobicContact CG1-CG 4.38Å; V263-L267 VanDerWaalsContact O-CB 3.32Å; V263-L267 WeakPolarHBondContact O-CB 3.05Å; V263-L267 WeakPolarHBondContact O-CG 3.44Å; V263-L267 PolarHBondContact O-N 3.42Å; E264-L267 PolarHBondContact O-N 3.02Å; L267-L270 PolarHBondContact O-N 2.9Å; L267-G271 PolarHBondContact O-N 3.38Å; L267-I272 WeakPolarHBondContact CB-O 3.26Å; L267-I272 HydrophobicContact CD2-CB 3.68Å; L267-I272 HydrophobicContact CD2-CG2 3.5Å; L267-I272 PolarHBondContact O-N 3.45Å; L267-E274 HydrophobicContact CD1-CB 4.49Å
268E82.1Confident78.1Confident148 Ų14884.8 Ų84.869%0.69248%0.48SS*.Hα-helixtrans-58.7-51.7174.1-177175.2-154.800111.6E264 L270 G271E264-E268 PolarHBondContact O-N 3.13Å; E268-L270 PolarHBondContact O-N 2.66Å; E268-G271 PolarHBondContact O-N 2.76Å
269K80.2Confident77.2Confident84 Ų8481.3 Ų81.337%0.36546%0.461SS..Hα-helixtrans-62.6-23.1179.7-173.6167.7-177.3166.10114.1Y98 F265Y98-K269 VanDerWaalsContact CZ-NZ 3.35Å; Y98-K269 PolarHBondContact OH-NZ 2.66Å; Y98-K269 VanDerWaalsContact OH-NZ 3.15Å; F265-K269 HydrophobicContact CE1-CD 3.88Å; F265-K269 HydrophobicContact CZ-CD 4.28Å; F265-K269 VanDerWaalsContact O-CB 3.23Å; F265-K269 WeakPolarHBondContact O-CB 3.5Å; F265-K269 PolarHBondContact O-N 3.18Å
270L78Confident76.3Confident110 Ų11084.8 Ų84.858%0.57648%0.478SS*.Hα-helixtrans-95.3-4.9173.9-67.4171.4000113.3L266 L267 E268 I272L266-L270 VanDerWaalsContact O-CB 3.26Å; L266-L270 WeakPolarHBondContact O-CB 3.43Å; L266-L270 WeakPolarHBondContact O-CD1 3.21Å; L266-L270 WeakPolarHBondContact O-CG 3.44Å; L266-L270 PolarHBondContact O-N 3.36Å; L267-L270 PolarHBondContact O-N 2.9Å; E268-L270 PolarHBondContact O-N 2.66Å; L270-I272 HydrophobicContact CB-CD1 3.72Å; L270-I272 HydrophobicContact CB-CG1 3.81Å; L270-I272 HydrophobicContact CD1-CD1 4.04Å
271G72.8Confident75.3Confident48 Ų4884.5 Ų84.550%0.49547%0.467SS..THydrogen-bonded Turntrans67.231.9-175.600000114L267 E268L267-G271 PolarHBondContact O-N 3.38Å; E268-G271 PolarHBondContact O-N 2.76Å
272I76.9Confident74.3Confident61 Ų6185.7 Ų85.731%0.31346%0.463SS..  trans-104105.9-176.6-57.7176.8000109.4L267 L270 P278L267-I272 WeakPolarHBondContact CB-O 3.26Å; L267-I272 HydrophobicContact CD2-CB 3.68Å; L267-I272 HydrophobicContact CD2-CG2 3.5Å; L267-I272 PolarHBondContact O-N 3.45Å; L270-I272 HydrophobicContact CB-CD1 3.72Å; L270-I272 HydrophobicContact CB-CG1 3.81Å; L270-I272 HydrophobicContact CD1-CD1 4.04Å; I272-P278 HydrophobicContact CG2-CG 3.89Å
273D71.2Confident73.2Confident75 Ų7587.6 Ų87.640%0.40149%0.487SS..  trans-70.3123.7175.4173.121000111.8S275 N276D273-S275 VanDerWaalsContact C-N 3.31Å; D273-S275 WeakPolarHBondContact OD1-CA 3.43Å; D273-S275 VanDerWaalsContact OD1-CB 3.31Å; D273-S275 WeakPolarHBondContact OD1-CB 3.48Å; D273-S275 PolarHBondContact OD1-N 2.98Å; D273-S275 PolarHBondContact OD1-OG 3.43Å; D273-S275 PolarHBondContact OD2-OG 3.09Å; D273-N276 CarbonylContact O-C 3.52Å; D273-N276 VanDerWaalsContact OD2-CB 3.3Å; D273-N276 WeakPolarHBondContact OD2-CB 3.46Å; D273-N276 PolarHBondContact OD2-N 3.47Å; D273-N276 PolarHBondContact OD2-ND2 3.34Å
274E66.9Low72.4Confident166 Ų16687.6 Ų87.678%0.77648%0.483SS*.SBendtrans-67.3-31174.2-167.3-171-174.400112L267 N276 P277L267-E274 HydrophobicContact CD1-CB 4.49Å; E274-N276 VanDerWaalsContact C-N 3.33Å; E274-N276 PolarHBondContact O-N 3.25Å; E274-P277 WeakPolarHBondContact O-CD 3.36Å
275S66.4Low71.8Confident90 Ų9083.5 Ų83.563%0.62946%0.464SS*.SBendtrans-73.6-25-178.778.70000113D273D273-S275 VanDerWaalsContact C-N 3.31Å; D273-S275 WeakPolarHBondContact OD1-CA 3.43Å; D273-S275 VanDerWaalsContact OD1-CB 3.31Å; D273-S275 WeakPolarHBondContact OD1-CB 3.48Å; D273-S275 PolarHBondContact OD1-N 2.98Å; D273-S275 PolarHBondContact OD1-OG 3.43Å; D273-S275 PolarHBondContact OD2-OG 3.09Å
276N65.1Low70.9Confident73 Ų7383.8 Ų83.839%0.3947%0.472SS..SBendtrans-130.770.4174.7-64.8-86.3000111.1D273 E274 P278D273-N276 CarbonylContact O-C 3.52Å; D273-N276 VanDerWaalsContact OD2-CB 3.3Å; D273-N276 WeakPolarHBondContact OD2-CB 3.46Å; D273-N276 PolarHBondContact OD2-N 3.47Å; D273-N276 PolarHBondContact OD2-ND2 3.34Å; E274-N276 VanDerWaalsContact C-N 3.33Å; E274-N276 PolarHBondContact O-N 3.25Å; N276-P278 WeakPolarHBondContact O-CD 3.19Å; N276-P278 VanDerWaalsContact O-N 3.12Å
277P63.3Low70.3Confident96 Ų9690 Ų9062%0.62350%0.496SS*.  trans-58120.5-174.923.6-33.3000110.2E274 S279E274-P277 WeakPolarHBondContact O-CD 3.36Å; P277-S279 PolarHBondContact O-N 3.3Å
278P63.9Low69.7Low84 Ų8492.4 Ų92.455%0.54551%0.509SS..  trans-72.989.8-167.427-34.8000111.5I272 N276 L280I272-P278 HydrophobicContact CG2-CG 3.89Å; N276-P278 WeakPolarHBondContact O-CD 3.19Å; N276-P278 VanDerWaalsContact O-N 3.12Å; P278-L280 PolarHBondContact O-N 2.69Å; P278-L280 VanDerWaalsContact O-N 3.16Å
279S67.8Low69.2Low34 Ų3490.1 Ų90.124%0.23850%0.497CS..  trans-62.6118.8-177.5-170.90000112.1P277 M281 L284 Q285P277-S279 PolarHBondContact O-N 3.3Å; S279-M281 PolarHBondContact O-N 3.15Å; S279-M281 VanDerWaalsContact O-N 3.17Å; S279-M281 PolarHBondContact OG-N 3.42Å; S279-M281 PolarHBondContact OG-O 3.26Å; S279-L284 VanDerWaalsContact CB-O 3.27Å; S279-L284 WeakPolarHBondContact CB-O 2.84Å; S279-Q285 WeakPolarHBondContact O-CG 3.21Å; S279-Q285 PolarHBondContact O-NE2 2.99Å
280L67.4Low69.3Low125 Ų12588.7 Ų88.765%0.65450%0.497SS*.SBendtrans-71.2-0.5171.5-59-179.8000112.7K71 P278K71-L280 PolarHBondContact NZ-O 2.91Å; P278-L280 PolarHBondContact O-N 2.69Å; P278-L280 VanDerWaalsContact O-N 3.16Å
281M66.7Low69.4Low123 Ų12391 Ų9161%0.60651%0.505SS*.SBendtrans-98.5110.1168.9-67.6179.861.700109.5S279 G283 L284 Q285S279-M281 PolarHBondContact O-N 3.15Å; S279-M281 VanDerWaalsContact O-N 3.17Å; S279-M281 PolarHBondContact OG-N 3.42Å; S279-M281 PolarHBondContact OG-O 3.26Å; M281-G283 VanDerWaalsContact C-N 3.27Å; M281-G283 PolarHBondContact O-N 2.83Å; M281-L284 HydrophobicContact CB-CB 4.29Å; M281-L284 HydrophobicContact CB-CD1 4.3Å; M281-L284 HydrophobicContact CB-CG 4.48Å; M281-L284 HydrophobicContact CE-CD1 3.97Å; M281-L284 CarbonylContact O-C 3.56Å; M281-L284 WeakPolarHBondContact O-CA 3.28Å; M281-L284 PolarHBondContact O-N 3.43Å; M281-L284 HydrophobicContact SD-CD1 4.02Å; M281-Q285 PolarHBondContact O-N 3.43Å
282R63.5Low69.8Low53 Ų5393.4 Ų93.420%0.251%0.507CS..G310 helixtrans-52.6-40.7-176.5-175.6170125.8-118.4-13.4113.6E24 D27 D73 L284 Q285 N288E24-R282 PolarHBondContact O-NH1 2.83Å; E24-R282 PolarHBondContact O-NH2 3.01Å; D27-R282 IonicContact OD2-NH2 3.43Å; D27-R282 PolarHBondContact OD2-NH2 3.29Å; D73-R282 WeakPolarHBondContact OD2-CD 3.2Å; D73-R282 IonicContact OD2-NH1 3.46Å; R282-L284 PolarHBondContact O-N 2.85Å; R282-L284 VanDerWaalsContact O-N 3.1Å; R282-Q285 PolarHBondContact O-N 2.84Å; R282-N288 PolarHBondContact O-ND2 3.17Å
283G65.3Low70Confident60 Ų6094.7 Ų94.762%0.61951%0.514SS*.G310 helixtrans-68.90.4175.800000115.9M281 F289M281-G283 VanDerWaalsContact C-N 3.27Å; M281-G283 PolarHBondContact O-N 2.83Å; G283-F289 WeakPolarHBondContact O-CE2 3.4Å; G283-F289 WeakPolarHBondContact O-CZ 3.38Å
284L69.1Low70.6Confident103 Ų10394.4 Ų94.454%0.53951%0.509SS..G310 helixtrans-128.716.7177.2-64.2176.9000112S279 M281 R282S279-L284 VanDerWaalsContact CB-O 3.27Å; S279-L284 WeakPolarHBondContact CB-O 2.84Å; M281-L284 HydrophobicContact CB-CB 4.29Å; M281-L284 HydrophobicContact CB-CD1 4.3Å; M281-L284 HydrophobicContact CB-CG 4.48Å; M281-L284 HydrophobicContact CE-CD1 3.97Å; M281-L284 CarbonylContact O-C 3.56Å; M281-L284 WeakPolarHBondContact O-CA 3.28Å; M281-L284 PolarHBondContact O-N 3.43Å; M281-L284 HydrophobicContact SD-CD1 4.02Å; R282-L284 PolarHBondContact O-N 2.85Å; R282-L284 VanDerWaalsContact O-N 3.1Å
285Q70.8Confident71.5Confident65 Ų6589 Ų8930%0.30449%0.494SS..  trans-81.2130.8174.4-73.6174.4-15.700110.4S279 M281 R282 K287 N288 F289S279-Q285 WeakPolarHBondContact O-CG 3.21Å; S279-Q285 PolarHBondContact O-NE2 2.99Å; M281-Q285 PolarHBondContact O-N 3.43Å; R282-Q285 PolarHBondContact O-N 2.84Å; Q285-K287 PolarHBondContact O-N 3.15Å; Q285-K287 VanDerWaalsContact O-N 3.13Å; Q285-N288 WeakPolarHBondContact O-CB 3.38Å; Q285-N288 PolarHBondContact O-N 3.17Å; Q285-F289 WeakPolarHBondContact O-CD2 3.47Å
286S66.1Low72.4Confident52 Ų5288.2 Ų88.236%0.36449%0.488SS..G310 helixtrans-52.8-35.8-178.951.70000113.3N288 F289S286-N288 PolarHBondContact O-N 2.59Å; S286-F289 PolarHBondContact O-N 3.33Å; S286-F289 VanDerWaalsContact O-N 3.08Å
287K69.7Low73.5Confident195 Ų19585.6 Ų85.685%0.84848%0.477SS*.G310 helixtrans-55.3-16.9175-62.8-175.1178.7-178.20115.1Q285Q285-K287 PolarHBondContact O-N 3.15Å; Q285-K287 VanDerWaalsContact O-N 3.13Å
288N70Confident74.7Confident96 Ų9684.4 Ų84.451%0.51347%0.465SS..G310 helixtrans-103.70.6-177.8-61.2-29.9000113.6R282 Q285 S286R282-N288 PolarHBondContact O-ND2 3.17Å; Q285-N288 WeakPolarHBondContact O-CB 3.38Å; Q285-N288 PolarHBondContact O-N 3.17Å; S286-N288 PolarHBondContact O-N 2.59Å
289F72.7Confident76Confident100 Ų10088.6 Ų88.644%0.43947%0.469SS..SBendtrans-119.5153.2179.4-67.9-85000110.9G283 Q285 S286 F294G283-F289 WeakPolarHBondContact O-CE2 3.4Å; G283-F289 WeakPolarHBondContact O-CZ 3.38Å; Q285-F289 WeakPolarHBondContact O-CD2 3.47Å; S286-F289 PolarHBondContact O-N 3.33Å; S286-F289 VanDerWaalsContact O-N 3.08Å; F289-F294 HydrophobicContact CB-CE1 4.04Å
290S81.3Confident77.1Confident53 Ų5394.4 Ų94.437%0.37149%0.49SS..  trans-82.1154.1170.278.10000110.7D292 D293 F294S290-D292 PolarHBondContact O-N 3.44Å; S290-D292 VanDerWaalsContact O-N 3.13Å; S290-D292 WeakPolarHBondContact OG-CB 3.47Å; S290-D292 PolarHBondContact OG-N 2.65Å; S290-D293 WeakPolarHBondContact CB-OD2 3.21Å; S290-D293 PolarHBondContact N-OD2 3.1Å; S290-D293 WeakPolarHBondContact O-CB 3.42Å; S290-D293 PolarHBondContact O-N 3.42Å; S290-D293 VanDerWaalsContact OG-CG 3.24Å; S290-D293 PolarHBondContact OG-N 2.85Å; S290-D293 PolarHBondContact OG-OD2 2.85Å; S290-F294 WeakPolarHBondContact O-CD1 3.17Å
291E80Confident78.1Confident159 Ų15993.1 Ų93.174%0.74348%0.48SS*.G310 helixtrans-57.7-26.7171.9-61.6-176.1178.500112.1D293 F294 A297E291-D293 VanDerWaalsContact C-N 3.28Å; E291-D293 PolarHBondContact O-N 3.48Å; E291-F294 HydrophobicContact CB-CD2 4.26Å; E291-F294 HydrophobicContact CB-CE2 4.25Å; E291-F294 HydrophobicContact CG-CD2 4.48Å; E291-F294 HydrophobicContact CG-CE2 4Å; E291-F294 WeakPolarHBondContact O-CB 3.48Å; E291-F294 PolarHBondContact O-N 3.17Å; E291-A297 WeakPolarHBondContact O-CB 3.42Å
292D81.7Confident79.3Confident99 Ų9992 Ų9253%0.52947%0.473SS..G310 helixtrans-69.6-22.1178.4-106.1-23.6000113.6S290 K301S290-D292 PolarHBondContact O-N 3.44Å; S290-D292 VanDerWaalsContact O-N 3.13Å; S290-D292 WeakPolarHBondContact OG-CB 3.47Å; S290-D292 PolarHBondContact OG-N 2.65Å; D292-K301 PolarHBondContact O-NZ 3.32Å; D292-K301 WeakPolarHBondContact OD1-CE 3.44Å; D292-K301 IonicContact OD1-NZ 3.57Å; D292-K301 PolarHBondContact OD1-NZ 3Å; D292-K301 IonicContact OD2-NZ 3.61Å
293D81.9Confident80.8Confident87 Ų8790.9 Ų90.947%0.46547%0.473SS..G310 helixtrans-90.1-11.9175.7-58.6-57.3000112.7S290 E291 L298S290-D293 WeakPolarHBondContact CB-OD2 3.21Å; S290-D293 PolarHBondContact N-OD2 3.1Å; S290-D293 WeakPolarHBondContact O-CB 3.42Å; S290-D293 PolarHBondContact O-N 3.42Å; S290-D293 VanDerWaalsContact OG-CG 3.24Å; S290-D293 PolarHBondContact OG-N 2.85Å; S290-D293 PolarHBondContact OG-OD2 2.85Å; E291-D293 VanDerWaalsContact C-N 3.28Å; E291-D293 PolarHBondContact O-N 3.48Å; D293-L298 WeakPolarHBondContact O-CD1 3.46Å
294F83.4Confident82Confident69 Ų6989.9 Ų89.930%0.30346%0.459SS..SBendtrans-65145.9-179.7-66-12.6000111.4F289 S290 E291 S296 A297 L298F289-F294 HydrophobicContact CB-CE1 4.04Å; S290-F294 WeakPolarHBondContact O-CD1 3.17Å; E291-F294 HydrophobicContact CB-CD2 4.26Å; E291-F294 HydrophobicContact CB-CE2 4.25Å; E291-F294 HydrophobicContact CG-CD2 4.48Å; E291-F294 HydrophobicContact CG-CE2 4Å; E291-F294 WeakPolarHBondContact O-CB 3.48Å; E291-F294 PolarHBondContact O-N 3.17Å; F294-S296 PolarHBondContact O-N 3.44Å; F294-A297 PolarHBondContact O-N 2.84Å; F294-L298 PolarHBondContact O-N 3.26Å
295A84.8Confident83.1Confident54 Ų5488.7 Ų88.745%0.44646%0.459SS..Hα-helixtrans-57-27.9-177.100000113.3R299A295-R299 VanDerWaalsContact O-CB 3.26Å; A295-R299 WeakPolarHBondContact O-CB 3.35Å; A295-R299 WeakPolarHBondContact O-CD 3.43Å; A295-R299 WeakPolarHBondContact O-CG 3.3Å; A295-R299 PolarHBondContact O-N 3.13Å; A295-R299 VanDerWaalsContact O-N 3.08Å
296S86.3Confident84.2Confident72 Ų7293.1 Ų93.150%0.50347%0.473SS..Hα-helixtrans-68.1-48.2173.1510000112.6F294 K300F294-S296 PolarHBondContact O-N 3.44Å; S296-K300 WeakPolarHBondContact O-CG 3.4Å; S296-K300 PolarHBondContact O-N 2.75Å; S296-K300 VanDerWaalsContact O-N 3.15Å
297A87.3Confident85.6Confident19 Ų1990.6 Ų90.616%0.15746%0.456CS..Hα-helixtrans-67.4-44.5177.600000111.9E291 F294 R299 K300 K301E291-A297 WeakPolarHBondContact O-CB 3.42Å; F294-A297 PolarHBondContact O-N 2.84Å; A297-R299 PolarHBondContact O-N 2.95Å; A297-K300 PolarHBondContact O-N 2.79Å; A297-K301 WeakPolarHBondContact O-CG 3.25Å; A297-K301 PolarHBondContact O-N 2.87Å
298L89.8Confident86.7Confident71 Ų7184 Ų8437%0.37243%0.43SS..Hα-helixtrans-60.3-42.9175.7-68.1179.4000112.1D293 F294 K301 Q302D293-L298 WeakPolarHBondContact O-CD1 3.46Å; F294-L298 PolarHBondContact O-N 3.26Å; L298-K301 PolarHBondContact O-N 3.06Å; L298-Q302 WeakPolarHBondContact O-CB 3.5Å; L298-Q302 VanDerWaalsContact O-CG 3.26Å; L298-Q302 WeakPolarHBondContact O-CG 3.44Å; L298-Q302 PolarHBondContact O-N 3.17Å
299R91.3Very high87.9Confident171 Ų17185.9 Ų85.965%0.64543%0.433SS*.Hα-helixtrans-60.8-43.8174.5-76.6166.4-166.7160.54.2112.1A295 A297 K301 Q302 S303A295-R299 VanDerWaalsContact O-CB 3.26Å; A295-R299 WeakPolarHBondContact O-CB 3.35Å; A295-R299 WeakPolarHBondContact O-CD 3.43Å; A295-R299 WeakPolarHBondContact O-CG 3.3Å; A295-R299 PolarHBondContact O-N 3.13Å; A295-R299 VanDerWaalsContact O-N 3.08Å; A297-R299 PolarHBondContact O-N 2.95Å; R299-K301 PolarHBondContact O-N 3.08Å; R299-Q302 PolarHBondContact O-N 2.86Å; R299-S303 PolarHBondContact O-N 2.99Å; R299-S303 PolarHBondContact O-OG 2.75Å
300K89.5Confident88.9Confident156 Ų15682 Ų8268%0.67842%0.419SS*.Hα-helixtrans-60.8-43176-73.1176.8178.6-1780112.3S296 A297 Q302 S303 A304S296-K300 WeakPolarHBondContact O-CG 3.4Å; S296-K300 PolarHBondContact O-N 2.75Å; S296-K300 VanDerWaalsContact O-N 3.15Å; A297-K300 PolarHBondContact O-N 2.79Å; K300-Q302 VanDerWaalsContact C-N 3.35Å; K300-S303 PolarHBondContact O-OG 3.46Å; K300-S303 VanDerWaalsContact O-OG 3.09Å; K300-A304 WeakPolarHBondContact O-CB 3.12Å; K300-A304 PolarHBondContact O-N 3.38Å; K300-A304 VanDerWaalsContact O-N 3.11Å
301K90.1Very high89.5Confident99 Ų9980 Ų8043%0.4340%0.404SS..Hα-helixtrans-63.7-39.8175.6-68.4167.9-175.31710111.8D292 A297 L298 R299 S305D292-K301 PolarHBondContact O-NZ 3.32Å; D292-K301 WeakPolarHBondContact OD1-CE 3.44Å; D292-K301 IonicContact OD1-NZ 3.57Å; D292-K301 PolarHBondContact OD1-NZ 3Å; D292-K301 IonicContact OD2-NZ 3.61Å; A297-K301 WeakPolarHBondContact O-CG 3.25Å; A297-K301 PolarHBondContact O-N 2.87Å; L298-K301 PolarHBondContact O-N 3.06Å; R299-K301 PolarHBondContact O-N 3.08Å; K301-S305 WeakPolarHBondContact O-CB 3.2Å; K301-S305 PolarHBondContact O-N 3.19Å
302Q91.9Very high90.1Very high98 Ų9876.4 Ų76.446%0.45839%0.386SS..Hα-helixtrans-69.3-45.5177.5-72169.43.400112.4L298 R299 K300 S305 W306L298-Q302 WeakPolarHBondContact O-CB 3.5Å; L298-Q302 VanDerWaalsContact O-CG 3.26Å; L298-Q302 WeakPolarHBondContact O-CG 3.44Å; L298-Q302 PolarHBondContact O-N 3.17Å; R299-Q302 PolarHBondContact O-N 2.86Å; K300-Q302 VanDerWaalsContact C-N 3.35Å; Q302-S305 PolarHBondContact O-N 2.97Å; Q302-W306 PolarHBondContact O-N 3.13Å
303S93.2Very high90.7Very high31 Ų3174.6 Ų74.622%0.21738%0.376CS..Hα-helixtrans-63.7-46.9179.8630000111.7R299 K300 S305 W306 A307 I336R299-S303 PolarHBondContact O-N 2.99Å; R299-S303 PolarHBondContact O-OG 2.75Å; K300-S303 PolarHBondContact O-OG 3.46Å; K300-S303 VanDerWaalsContact O-OG 3.09Å; S303-S305 VanDerWaalsContact C-N 3.28Å; S303-S305 PolarHBondContact O-N 3.49Å; S303-W306 PolarHBondContact O-N 3.23Å; S303-A307 WeakPolarHBondContact O-CB 3.21Å; S303-A307 PolarHBondContact O-N 3.4Å; S303-I336 VanDerWaalsContact O-CG2 3.24Å; S303-I336 WeakPolarHBondContact O-CG2 3.26Å
304A90.9Very high91.2Very high39 Ų3970.5 Ų70.532%0.32235%0.353SS..Hα-helixtrans-58.4-39.8175.400000112.4K300 L308K300-A304 WeakPolarHBondContact O-CB 3.12Å; K300-A304 PolarHBondContact O-N 3.38Å; K300-A304 VanDerWaalsContact O-N 3.11Å; A304-L308 VanDerWaalsContact O-CB 3.27Å; A304-L308 WeakPolarHBondContact O-CB 3.48Å; A304-L308 PolarHBondContact O-N 3.18Å
305S93.1Very high91.5Very high77 Ų7767.2 Ų67.254%0.53834%0.339SS..Hα-helixtrans-66.4-42.1176.7-171.60000112.8K301 Q302 S303 K309K301-S305 WeakPolarHBondContact O-CB 3.2Å; K301-S305 PolarHBondContact O-N 3.19Å; Q302-S305 PolarHBondContact O-N 2.97Å; S303-S305 VanDerWaalsContact C-N 3.28Å; S303-S305 PolarHBondContact O-N 3.49Å; S305-K309 PolarHBondContact O-N 2.52Å
306W94.1Very high91.8Very high158 Ų15868.6 Ų68.660%0.59834%0.339SS*.Hα-helixtrans-69.7-42.3176.1-70.2-14.9000112.7Q302 S303 K309 C310 I336Q302-W306 PolarHBondContact O-N 3.13Å; S303-W306 PolarHBondContact O-N 3.23Å; W306-K309 WeakPolarHBondContact O-CB 3.49Å; W306-K309 PolarHBondContact O-N 3.39Å; W306-K309 VanDerWaalsContact O-N 3.13Å; W306-C310 PolarHBondContact O-N 3.48Å; W306-I336 HydrophobicContact CB-CD1 4.39Å; W306-I336 HydrophobicContact CB-CG2 4.24Å
307A94.9Very high92.1Very high0 Ų069 Ų690%033%0.33CS..Hα-helixtrans-59.3-48.4174.600000111.2S303 K309 C310 V311 A333 I336 D337S303-A307 WeakPolarHBondContact O-CB 3.21Å; S303-A307 PolarHBondContact O-N 3.4Å; A307-K309 PolarHBondContact O-N 3.08Å; A307-C310 WeakPolarHBondContact O-CA 3.42Å; A307-C310 WeakPolarHBondContact O-CB 3.49Å; A307-C310 PolarHBondContact O-N 2.76Å; A307-V311 WeakPolarHBondContact O-CG2 3.31Å; A307-V311 PolarHBondContact O-N 3.06Å; A307-A333 HydrophobicContact CB-CB 4.22Å; A307-A333 VanDerWaalsContact CB-O 3.32Å; A307-A333 WeakPolarHBondContact CB-O 3.46Å; A307-A333 WeakPolarHBondContact O-CB 3.38Å; A307-I336 HydrophobicContact CB-CB 4.31Å; A307-I336 HydrophobicContact CB-CG2 4.15Å; A307-D337 HydrophobicContact CB-CB 3.63Å
308L92.5Very high92.2Very high56 Ų5668.4 Ų68.429%0.29332%0.324SS..Hα-helixtrans-63.6-26.2176.2-173.7145.4000113A304 K312A304-L308 VanDerWaalsContact O-CB 3.27Å; A304-L308 WeakPolarHBondContact O-CB 3.48Å; A304-L308 PolarHBondContact O-N 3.18Å; L308-K312 HydrophobicContact CD2-CD 4.22Å; L308-K312 VanDerWaalsContact CD2-CE 3.48Å; L308-K312 VanDerWaalsContact CD2-NZ 3.3Å; L308-K312 WeakPolarHBondContact O-CG 3.12Å; L308-K312 PolarHBondContact O-N 3.19Å
309K94.5Very high92Very high136 Ų13668.7 Ų68.759%0.59132%0.322SS*.Hα-helixtrans-70-44169.4-173.3-177.3176.8-175.40111.6S305 W306 A307 K312 I313S305-K309 PolarHBondContact O-N 2.52Å; W306-K309 WeakPolarHBondContact O-CB 3.49Å; W306-K309 PolarHBondContact O-N 3.39Å; W306-K309 VanDerWaalsContact O-N 3.13Å; A307-K309 PolarHBondContact O-N 3.08Å; K309-K312 PolarHBondContact O-N 3.12Å; K309-I313 HydrophobicContact CG-CD1 4.32Å; K309-I313 WeakPolarHBondContact O-CG1 3.27Å; K309-I313 PolarHBondContact O-N 2.87Å
310C94.3Very high92Very high19 Ų1965.5 Ų65.513%0.12832%0.321CS..Hα-helixtrans-61.6-41.3174.5-71.60000111.9W306 A307 K312 I313 G314 A333W306-C310 PolarHBondContact O-N 3.48Å; A307-C310 WeakPolarHBondContact O-CA 3.42Å; A307-C310 WeakPolarHBondContact O-CB 3.49Å; A307-C310 PolarHBondContact O-N 2.76Å; C310-K312 VanDerWaalsContact C-N 3.34Å; C310-K312 PolarHBondContact O-N 3.31Å; C310-I313 PolarHBondContact O-N 3.4Å; C310-G314 PolarHBondContact O-N 3.03Å; C310-A333 HydrophobicContact CB-CB 3.88Å
311V93.9Very high91.9Very high11 Ų1159.7 Ų59.77%0.06731%0.306CS..Hα-helixtrans-56.5-45.6174.5178.10000111.9A307 I313 G314 V315 Y330 A333 E342 A343 A346A307-V311 WeakPolarHBondContact O-CG2 3.31Å; A307-V311 PolarHBondContact O-N 3.06Å; V311-I313 PolarHBondContact O-N 3.49Å; V311-G314 PolarHBondContact O-N 2.83Å; V311-V315 HydrophobicContact CG1-CG2 4.38Å; V311-V315 WeakPolarHBondContact O-CB 3.38Å; V311-V315 WeakPolarHBondContact O-CG2 3.44Å; V311-V315 PolarHBondContact O-N 3.01Å; V311-Y330 HydrophobicContact CG1-CE1 4.47Å; V311-A333 HydrophobicContact CG2-CB 3.8Å; V311-E342 HydrophobicContact CG1-CB 4.27Å; V311-A343 HydrophobicContact CG2-CB 3.45Å; V311-A343 VanDerWaalsContact CG2-CB 3.45Å; V311-A346 HydrophobicContact CG1-CB 4.21Å
312K93Very high91.9Very high82 Ų8261.4 Ų61.436%0.35731%0.31SS..Hα-helixtrans-59.6-45177.3-72.8167.9178.1169.30112.3L308 K309 C310 V315 D316 I754L308-K312 HydrophobicContact CD2-CD 4.22Å; L308-K312 VanDerWaalsContact CD2-CE 3.48Å; L308-K312 VanDerWaalsContact CD2-NZ 3.3Å; L308-K312 WeakPolarHBondContact O-CG 3.12Å; L308-K312 PolarHBondContact O-N 3.19Å; K309-K312 PolarHBondContact O-N 3.12Å; C310-K312 VanDerWaalsContact C-N 3.34Å; C310-K312 PolarHBondContact O-N 3.31Å; K312-V315 WeakPolarHBondContact O-CB 3.47Å; K312-V315 PolarHBondContact O-N 3.31Å; K312-D316 PolarHBondContact O-N 3.03Å; K312-I754 HydrophobicContact CG-CD1 4.28Å
313I93.2Very high91.8Very high62 Ų6259.5 Ų59.532%0.31830%0.301SS..Hα-helixtrans-64.5-42178.3-60.5166000110.5K309 C310 V311 V315 D316 Y317 E329K309-I313 HydrophobicContact CG-CD1 4.32Å; K309-I313 WeakPolarHBondContact O-CG1 3.27Å; K309-I313 PolarHBondContact O-N 2.87Å; C310-I313 PolarHBondContact O-N 3.4Å; V311-I313 PolarHBondContact O-N 3.49Å; I313-V315 PolarHBondContact O-N 3.45Å; I313-D316 PolarHBondContact O-N 2.77Å; I313-Y317 HydrophobicContact CG2-CD2 3.89Å; I313-Y317 HydrophobicContact CG2-CE2 3.51Å; I313-Y317 WeakPolarHBondContact O-CD2 3.16Å; I313-Y317 PolarHBondContact O-N 2.97Å; I313-E329 HydrophobicContact CB-CG 4.44Å; I313-E329 HydrophobicContact CG2-CG 4.01Å
314G93.4Very high91.8Very high0 Ų062.7 Ų62.70%032%0.319CS..Hα-helixtrans-62.7-39.317500000113.3C310 V311 Y317 F318 A326 Y330C310-G314 PolarHBondContact O-N 3.03Å; V311-G314 PolarHBondContact O-N 2.83Å; G314-Y317 PolarHBondContact O-N 3.06Å; G314-F318 WeakPolarHBondContact O-CB 3.44Å; G314-F318 PolarHBondContact O-N 3.15Å; G314-A326 WeakPolarHBondContact O-CB 3.15Å; G314-Y330 PolarHBondContact O-OH 3.26Å
315V90.2Very high91.8Very high1 Ų163.2 Ų63.21%0.00632%0.316CS..Hα-helixtrans-63.2-42.5173.6160.20000111.4V311 K312 I313 F318 K319 Y330 I754V311-V315 HydrophobicContact CG1-CG2 4.38Å; V311-V315 WeakPolarHBondContact O-CB 3.38Å; V311-V315 WeakPolarHBondContact O-CG2 3.44Å; V311-V315 PolarHBondContact O-N 3.01Å; K312-V315 WeakPolarHBondContact O-CB 3.47Å; K312-V315 PolarHBondContact O-N 3.31Å; I313-V315 PolarHBondContact O-N 3.45Å; V315-F318 WeakPolarHBondContact O-CB 3.46Å; V315-F318 PolarHBondContact O-N 2.76Å; V315-K319 WeakPolarHBondContact O-CG 3.49Å; V315-K319 PolarHBondContact O-N 3.01Å; V315-Y330 WeakPolarHBondContact CA-OH 3.41Å; V315-Y330 HydrophobicContact CG2-CE1 4.2Å; V315-Y330 WeakPolarHBondContact CG2-OH 3.35Å; V315-Y330 PolarHBondContact N-OH 3.28Å; V315-I754 HydrophobicContact CG1-CB 4.48Å; V315-I754 HydrophobicContact CG1-CG1 4.13Å; V315-I754 HydrophobicContact CG1-CG2 3.79Å; V315-I754 HydrophobicContact CG2-CG2 3.98Å
316D91.4Very high91.8Very high83 Ų8359.6 Ų59.644%0.44429%0.291SS..Hα-helixtrans-71.1-35.2179-67.7-30.1000111.8K312 I313 F318 K319 V320K312-D316 PolarHBondContact O-N 3.03Å; I313-D316 PolarHBondContact O-N 2.77Å; D316-F318 VanDerWaalsContact C-N 3.34Å; D316-K319 PolarHBondContact O-N 3.25Å; D316-K319 IonicContact OD1-NZ 2.67Å; D316-K319 PolarHBondContact OD1-NZ 3.25Å; D316-V320 WeakPolarHBondContact O-CG2 3.47Å; D316-V320 PolarHBondContact O-N 3.28Å
317Y91.5Very high91.8Very high81 Ų8152.9 Ų52.932%0.31827%0.266SS..Hα-helixtrans-63-37.6166.9-75.4-46.6000112.9I313 G314 V320 G321 R322 D325 E329I313-Y317 HydrophobicContact CG2-CD2 3.89Å; I313-Y317 HydrophobicContact CG2-CE2 3.51Å; I313-Y317 WeakPolarHBondContact O-CD2 3.16Å; I313-Y317 PolarHBondContact O-N 2.97Å; G314-Y317 PolarHBondContact O-N 3.06Å; Y317-V320 CarbonylContact O-C 3.52Å; Y317-V320 PolarHBondContact O-N 2.8Å; Y317-G321 PolarHBondContact O-N 3.09Å; Y317-R322 HydrophobicContact CD1-CB 4.43Å; Y317-R322 WeakPolarHBondContact O-CB 3.39Å; Y317-R322 PolarHBondContact O-N 3.48Å; Y317-D325 HydrophobicContact CD1-CB 4.08Å; Y317-D325 HydrophobicContact CD2-CB 3.74Å; Y317-D325 HydrophobicContact CE1-CB 4.46Å; Y317-D325 HydrophobicContact CE2-CB 4.13Å; Y317-D325 HydrophobicContact CG-CB 3.72Å; Y317-E329 HydrophobicContact CD2-CG 4.05Å; Y317-E329 HydrophobicContact CE2-CG 4.07Å
318F89Confident91.8Very high6 Ų656.7 Ų56.73%0.02629%0.286CS..Hα-helixtrans-62.7-44.2176.8-178.8-96.9000112G314 V315 D316 V320 G321 H323 A326 L350 T353 I758 F761G314-F318 WeakPolarHBondContact O-CB 3.44Å; G314-F318 PolarHBondContact O-N 3.15Å; V315-F318 WeakPolarHBondContact O-CB 3.46Å; V315-F318 PolarHBondContact O-N 2.76Å; D316-F318 VanDerWaalsContact C-N 3.34Å; F318-V320 VanDerWaalsContact C-N 3.26Å; F318-V320 PolarHBondContact O-N 3.48Å; F318-G321 WeakPolarHBondContact O-CA 3.26Å; F318-G321 PolarHBondContact O-N 3.14Å; F318-H323 AromaticContact CD2-CE1 3.84Å; F318-H323 AromaticContact CD2-ND1 3.45Å; F318-H323 WeakPolarHBondContact CD2-ND1 3.21Å; F318-H323 AromaticContact CE2-CE1 3.65Å; F318-H323 AromaticContact CE2-ND1 3.54Å; F318-A326 HydrophobicContact CB-CB 4.1Å; F318-L350 HydrophobicContact CD2-CD1 3.82Å; F318-L350 HydrophobicContact CE2-CD1 3.81Å; F318-T353 HydrophobicContact CZ-CG2 4.35Å; F318-I758 HydrophobicContact CD1-CG1 4.39Å; F318-I758 HydrophobicContact CE1-CG1 4.38Å; F318-I758 HydrophobicContact CE1-CG2 4.23Å; F318-F761 HydrophobicContact CE1-CD1 4.4Å
319K86.2Confident92Very high76 Ų7655.2 Ų55.233%0.3328%0.278SS..Hα-helixtrans-59.1-35.2174.5-66.9168.4-167.8164.10112.8V315 D316 G321 Q757V315-K319 WeakPolarHBondContact O-CG 3.49Å; V315-K319 PolarHBondContact O-N 3.01Å; D316-K319 PolarHBondContact O-N 3.25Å; D316-K319 IonicContact OD1-NZ 2.67Å; D316-K319 PolarHBondContact OD1-NZ 3.25Å; K319-G321 PolarHBondContact O-N 3.04Å; K319-Q757 VanDerWaalsContact CE-OE1 3.31Å
320V90.8Very high92Very high104 Ų10448.9 Ų48.963%0.6325%0.25SS*.THydrogen-bonded Turntrans-81.45.8176.5-177.10000111.9D316 Y317 F318 R322D316-V320 WeakPolarHBondContact O-CG2 3.47Å; D316-V320 PolarHBondContact O-N 3.28Å; Y317-V320 CarbonylContact O-C 3.52Å; Y317-V320 PolarHBondContact O-N 2.8Å; F318-V320 VanDerWaalsContact C-N 3.26Å; F318-V320 PolarHBondContact O-N 3.48Å; V320-R322 HydrophobicContact CB-CG 4.5Å; V320-R322 HydrophobicContact CG1-CG 4.21Å; V320-R322 PolarHBondContact O-N 3.2Å
321G86.7Confident92.1Very high34 Ų3450 Ų5035%0.35126%0.255SS..THydrogen-bonded Turntrans74.77.5179.700000114.6Y317 F318 K319 H323Y317-G321 PolarHBondContact O-N 3.09Å; F318-G321 WeakPolarHBondContact O-CA 3.26Å; F318-G321 PolarHBondContact O-N 3.14Å; K319-G321 PolarHBondContact O-N 3.04Å; G321-H323 PolarHBondContact O-CD2 3.13Å; G321-H323 VanDerWaalsContact O-CD2 3.28Å; G321-H323 PolarHBondContact O-N 2.83Å
322R91.7Very high92.2Very high135 Ų13553.7 Ų53.751%0.50927%0.271SS..  trans-82.966.2-179-58.9-159.2-174-171.8-0.2111.4Y317 V320 V324 D325 A326Y317-R322 HydrophobicContact CD1-CB 4.43Å; Y317-R322 WeakPolarHBondContact O-CB 3.39Å; Y317-R322 PolarHBondContact O-N 3.48Å; V320-R322 HydrophobicContact CB-CG 4.5Å; V320-R322 HydrophobicContact CG1-CG 4.21Å; V320-R322 PolarHBondContact O-N 3.2Å; R322-V324 PolarHBondContact O-N 3.16Å; R322-D325 HydrophobicContact CB-CB 4.09Å; R322-D325 WeakPolarHBondContact CD-OD2 3.36Å; R322-D325 IonicContact NH1-OD2 3.65Å; R322-D325 PolarHBondContact NH1-OD2 2.82Å; R322-D325 PolarHBondContact O-N 2.9Å; R322-A326 WeakPolarHBondContact O-CB 3.21Å; R322-A326 PolarHBondContact O-N 3.41Å
323H88.5Confident92.3Very high59 Ų5949.8 Ų49.827%0.27325%0.254SS..THydrogen-bonded Turntrans-63.7-5.5-175.7-59.2-53.5000115.4F318 G321 L350 K354F318-H323 AromaticContact CD2-CE1 3.84Å; F318-H323 AromaticContact CD2-ND1 3.45Å; F318-H323 WeakPolarHBondContact CD2-ND1 3.21Å; F318-H323 AromaticContact CE2-CE1 3.65Å; F318-H323 AromaticContact CE2-ND1 3.54Å; G321-H323 PolarHBondContact O-CD2 3.13Å; G321-H323 VanDerWaalsContact O-CD2 3.28Å; G321-H323 PolarHBondContact O-N 2.83Å; H323-L350 HydrophobicContact CB-CD1 3.95Å; H323-K354 WeakPolarHBondContact O-CE 3.4Å; H323-K354 PolarHBondContact O-NZ 3.17Å
324V92.9Very high92.4Very high97 Ų9747.7 Ų47.759%0.58824%0.243SC*.THydrogen-bonded Turntrans-93.2-54.4171.1179.90000110R322 A326 M327 N328R322-V324 PolarHBondContact O-N 3.16Å; V324-A326 VanDerWaalsContact C-N 3.26Å; V324-A326 PolarHBondContact O-N 3.03Å; V324-M327 WeakPolarHBondContact O-CB 3.22Å; V324-M327 PolarHBondContact O-N 2.82Å; V324-N328 PolarHBondContact O-N 2.76Å; V324-N328 VanDerWaalsContact O-N 3.08Å
325D92.4Very high92.5Very high51 Ų5154.7 Ų54.727%0.27328%0.275SS..Hα-helixtrans-53.9-43.4175.9-57.9-11000111.2Y317 R322 M327 N328 E329Y317-D325 HydrophobicContact CD1-CB 4.08Å; Y317-D325 HydrophobicContact CD2-CB 3.74Å; Y317-D325 HydrophobicContact CE1-CB 4.46Å; Y317-D325 HydrophobicContact CE2-CB 4.13Å; Y317-D325 HydrophobicContact CG-CB 3.72Å; R322-D325 HydrophobicContact CB-CB 4.09Å; R322-D325 WeakPolarHBondContact CD-OD2 3.36Å; R322-D325 IonicContact NH1-OD2 3.65Å; R322-D325 PolarHBondContact NH1-OD2 2.82Å; R322-D325 PolarHBondContact O-N 2.9Å; D325-M327 PolarHBondContact O-N 2.83Å; D325-N328 PolarHBondContact O-N 3.36Å; D325-E329 PolarHBondContact O-N 3.01Å; D325-E329 VanDerWaalsContact O-N 3.08Å
326A91.8Very high92.7Very high0 Ų057.8 Ų57.80%029%0.291CS..Hα-helixtrans-58.2-43.1174.800000113.4G314 F318 R322 V324 N328 E329 Y330 L350G314-A326 WeakPolarHBondContact O-CB 3.15Å; F318-A326 HydrophobicContact CB-CB 4.1Å; R322-A326 WeakPolarHBondContact O-CB 3.21Å; R322-A326 PolarHBondContact O-N 3.41Å; V324-A326 VanDerWaalsContact C-N 3.26Å; V324-A326 PolarHBondContact O-N 3.03Å; A326-N328 VanDerWaalsContact C-N 3.32Å; A326-N328 PolarHBondContact O-N 2.84Å; A326-E329 PolarHBondContact O-N 2.94Å; A326-Y330 HydrophobicContact CB-CE2 4.31Å; A326-Y330 VanDerWaalsContact O-CD2 3.24Å; A326-Y330 WeakPolarHBondContact O-CD2 3.3Å; A326-Y330 PolarHBondContact O-N 3.48Å; A326-L350 HydrophobicContact CB-CD2 3.91Å
327M94Very high92.7Very high18 Ų1855.4 Ų55.49%0.08928%0.279CS..Hα-helixtrans-65-38.5178.1-178.560.176.700111.2V324 D325 Y330 N331 R347 L350 Y351V324-M327 WeakPolarHBondContact O-CB 3.22Å; V324-M327 PolarHBondContact O-N 2.82Å; D325-M327 PolarHBondContact O-N 2.83Å; M327-Y330 PolarHBondContact O-N 3.23Å; M327-N331 WeakPolarHBondContact O-CB 3.29Å; M327-N331 VanDerWaalsContact O-CG 3.31Å; M327-N331 PolarHBondContact O-N 3.2Å; M327-N331 PolarHBondContact O-ND2 2.98Å; M327-R347 HydrophobicContact CE-CG 4.12Å; M327-R347 HydrophobicContact SD-CG 3.68Å; M327-L350 HydrophobicContact CB-CD2 3.72Å; M327-L350 HydrophobicContact CE-CB 4.44Å; M327-L350 HydrophobicContact CE-CD2 3.92Å; M327-L350 HydrophobicContact CE-CG 3.92Å; M327-L350 HydrophobicContact SD-CD2 4.43Å; M327-Y351 HydrophobicContact CE-CD1 3.8Å; M327-Y351 HydrophobicContact CE-CD2 4.43Å; M327-Y351 HydrophobicContact CE-CE1 3.46Å; M327-Y351 VanDerWaalsContact CE-CE1 3.46Å; M327-Y351 HydrophobicContact CE-CE2 4.16Å; M327-Y351 HydrophobicContact CE-CG 4.27Å; M327-Y351 HydrophobicContact SD-CE1 4.47Å
328N95.9Very high92.8Very high79 Ų7959.7 Ų59.742%0.42230%0.299SS..Hα-helixtrans-66.1-42.4179-64.5-22.6000111.4V324 D325 A326 N331 K332V324-N328 PolarHBondContact O-N 2.76Å; V324-N328 VanDerWaalsContact O-N 3.08Å; D325-N328 PolarHBondContact O-N 3.36Å; A326-N328 VanDerWaalsContact C-N 3.32Å; A326-N328 PolarHBondContact O-N 2.84Å; N328-N331 PolarHBondContact O-N 2.66Å; N328-K332 VanDerWaalsContact O-CG 3.32Å; N328-K332 WeakPolarHBondContact O-CG 3.44Å; N328-K332 PolarHBondContact O-N 3.05Å
329E95.9Very high92.8Very high26 Ų2665.8 Ų65.812%0.12133%0.327CS..Hα-helixtrans-69.9-35.2176.4-63.8-52.5132.500113.3I313 Y317 D325 A326 K332 A333I313-E329 HydrophobicContact CB-CG 4.44Å; I313-E329 HydrophobicContact CG2-CG 4.01Å; Y317-E329 HydrophobicContact CD2-CG 4.05Å; Y317-E329 HydrophobicContact CE2-CG 4.07Å; D325-E329 PolarHBondContact O-N 3.01Å; D325-E329 VanDerWaalsContact O-N 3.08Å; A326-E329 PolarHBondContact O-N 2.94Å; E329-K332 PolarHBondContact O-N 3.27Å; E329-K332 IonicContact OE1-NZ 2.76Å; E329-K332 PolarHBondContact OE1-NZ 3.12Å; E329-K332 IonicContact OE2-NZ 2.75Å; E329-A333 PolarHBondContact O-N 2.88Å
330Y95.4Very high93.2Very high2 Ų262.8 Ų62.81%0.00832%0.315CS..Hα-helixtrans-67.5-37.4173.1-58.9-28000112.5V311 G314 V315 A326 M327 A333 L334 A346 R347 L350V311-Y330 HydrophobicContact CG1-CE1 4.47Å; G314-Y330 PolarHBondContact O-OH 3.26Å; V315-Y330 WeakPolarHBondContact CA-OH 3.41Å; V315-Y330 HydrophobicContact CG2-CE1 4.2Å; V315-Y330 WeakPolarHBondContact CG2-OH 3.35Å; V315-Y330 PolarHBondContact N-OH 3.28Å; A326-Y330 HydrophobicContact CB-CE2 4.31Å; A326-Y330 VanDerWaalsContact O-CD2 3.24Å; A326-Y330 WeakPolarHBondContact O-CD2 3.3Å; A326-Y330 PolarHBondContact O-N 3.48Å; M327-Y330 PolarHBondContact O-N 3.23Å; Y330-A333 WeakPolarHBondContact O-CB 3.21Å; Y330-A333 PolarHBondContact O-N 3.43Å; Y330-L334 WeakPolarHBondContact O-CG 3.47Å; Y330-L334 PolarHBondContact O-N 2.84Å; Y330-A346 HydrophobicContact CD1-CB 4.01Å; Y330-A346 HydrophobicContact CD2-CB 4.34Å; Y330-A346 HydrophobicContact CE1-CB 3.56Å; Y330-A346 HydrophobicContact CE2-CB 3.92Å; Y330-A346 WeakPolarHBondContact CE2-O 3.15Å; Y330-A346 HydrophobicContact CG-CB 4.39Å; Y330-R347 HydrophobicContact CD2-CB 4.18Å; Y330-R347 HydrophobicContact CG-CB 4.45Å; Y330-L350 HydrophobicContact CD2-CB 4.41Å; Y330-L350 HydrophobicContact CD2-CD2 3.83Å; Y330-L350 HydrophobicContact CE2-CB 4.09Å; Y330-L350 HydrophobicContact CE2-CD2 3.75Å
331N96.3Very high93.3Very high44 Ų4458.8 Ų58.824%0.23529%0.291CS..Hα-helixtrans-66.4-43.8174.2-73-25.9000111.6M327 N328 A333 L334 E335 R347M327-N331 WeakPolarHBondContact O-CB 3.29Å; M327-N331 VanDerWaalsContact O-CG 3.31Å; M327-N331 PolarHBondContact O-N 3.2Å; M327-N331 PolarHBondContact O-ND2 2.98Å; N328-N331 PolarHBondContact O-N 2.66Å; N331-A333 VanDerWaalsContact C-N 3.29Å; N331-A333 PolarHBondContact O-N 2.83Å; N331-L334 CarbonylContact O-C 3.58Å; N331-L334 PolarHBondContact O-N 2.97Å; N331-E335 WeakPolarHBondContact O-CG 3.29Å; N331-E335 PolarHBondContact O-N 3.43Å; N331-R347 VanDerWaalsContact OD1-CD 3.23Å; N331-R347 WeakPolarHBondContact OD1-CD 3.38Å; N331-R347 PolarHBondContact OD1-NH1 3.48Å
332K96.2Very high93.5Very high88 Ų8858.6 Ų58.638%0.38328%0.281SS..Hα-helixtrans-56.9-40.9172.1-71.8169.7-173.2175.10112.6N328 E329 L334 E335 I336N328-K332 VanDerWaalsContact O-CG 3.32Å; N328-K332 WeakPolarHBondContact O-CG 3.44Å; N328-K332 PolarHBondContact O-N 3.05Å; E329-K332 PolarHBondContact O-N 3.27Å; E329-K332 IonicContact OE1-NZ 2.76Å; E329-K332 PolarHBondContact OE1-NZ 3.12Å; E329-K332 IonicContact OE2-NZ 2.75Å; K332-L334 VanDerWaalsContact C-N 3.27Å; K332-L334 PolarHBondContact O-N 3.14Å; K332-E335 PolarHBondContact O-N 2.98Å; K332-I336 WeakPolarHBondContact O-CD1 3.28Å; K332-I336 VanDerWaalsContact O-CG1 3.28Å; K332-I336 WeakPolarHBondContact O-CG1 3.46Å; K332-I336 PolarHBondContact O-N 3.3Å
333A95.8Very high93.6Very high0 Ų052.1 Ų52.10%026%0.256CS..Hα-helixtrans-59.3-40.1176.300000111.8A307 C310 V311 E329 Y330 N331 I336 D337 A343A307-A333 HydrophobicContact CB-CB 4.22Å; A307-A333 VanDerWaalsContact CB-O 3.32Å; A307-A333 WeakPolarHBondContact CB-O 3.46Å; A307-A333 WeakPolarHBondContact O-CB 3.38Å; C310-A333 HydrophobicContact CB-CB 3.88Å; V311-A333 HydrophobicContact CG2-CB 3.8Å; E329-A333 PolarHBondContact O-N 2.88Å; Y330-A333 WeakPolarHBondContact O-CB 3.21Å; Y330-A333 PolarHBondContact O-N 3.43Å; N331-A333 VanDerWaalsContact C-N 3.29Å; N331-A333 PolarHBondContact O-N 2.83Å; A333-I336 PolarHBondContact O-N 3.09Å; A333-D337 PolarHBondContact O-N 3.09Å; A333-A343 HydrophobicContact CB-CB 3.71Å
334L95.1Very high94Very high17 Ų1749.7 Ų49.79%0.08925%0.245CC..Hα-helixtrans-81.2-21.8179.3-65.9167.1000114Y330 N331 K332 D337 K338 N340 A343 L344Y330-L334 WeakPolarHBondContact O-CG 3.47Å; Y330-L334 PolarHBondContact O-N 2.84Å; N331-L334 CarbonylContact O-C 3.58Å; N331-L334 PolarHBondContact O-N 2.97Å; K332-L334 VanDerWaalsContact C-N 3.27Å; K332-L334 PolarHBondContact O-N 3.14Å; L334-D337 CarbonylContact O-C 3.5Å; L334-K338 WeakPolarHBondContact O-CA 3.23Å; L334-K338 WeakPolarHBondContact O-CG 3.47Å; L334-K338 PolarHBondContact O-N 2.9Å; L334-N340 HydrophobicContact CD2-CB 4.42Å; L334-A343 HydrophobicContact CD1-CB 4.36Å; L334-A343 HydrophobicContact CD2-CB 3.75Å; L334-A343 HydrophobicContact CG-CB 3.75Å; L334-L344 HydrophobicContact CD1-CD2 3.95Å; L334-L344 HydrophobicContact CD2-CD2 3.74Å; L334-L344 HydrophobicContact CD2-CG 3.83Å
335E95.5Very high94Very high147 Ų14745 Ų4569%0.68722%0.217SC*.Hα-helixtrans-68.5-38.2166.8-73.2167.3-173.100111.3N331 K332N331-E335 WeakPolarHBondContact O-CG 3.29Å; N331-E335 PolarHBondContact O-N 3.43Å; K332-E335 PolarHBondContact O-N 2.98Å
336I93.3Very high94Very high67 Ų6742.8 Ų42.834%0.34421%0.205SC..Hα-helixtrans-77.5-42.4178-65.4165.3000111.7S303 W306 A307 K332 A333S303-I336 VanDerWaalsContact O-CG2 3.24Å; S303-I336 WeakPolarHBondContact O-CG2 3.26Å; W306-I336 HydrophobicContact CB-CD1 4.39Å; W306-I336 HydrophobicContact CB-CG2 4.24Å; A307-I336 HydrophobicContact CB-CB 4.31Å; A307-I336 HydrophobicContact CB-CG2 4.15Å; K332-I336 WeakPolarHBondContact O-CD1 3.28Å; K332-I336 VanDerWaalsContact O-CG1 3.28Å; K332-I336 WeakPolarHBondContact O-CG1 3.46Å; K332-I336 PolarHBondContact O-N 3.3Å; A333-I336 PolarHBondContact O-N 3.09Å
337D92.6Very high94.2Very high33 Ų3345 Ų4518%0.17621%0.214CC..  trans-143.596.6-178.7176.312.2000110.5A307 A333 L334 Q339 N340A307-D337 HydrophobicContact CB-CB 3.63Å; A333-D337 PolarHBondContact O-N 3.09Å; L334-D337 CarbonylContact O-C 3.5Å; D337-Q339 PolarHBondContact O-N 3.25Å; D337-Q339 VanDerWaalsContact O-N 3.16Å; D337-Q339 PolarHBondContact OD1-N 2.94Å; D337-N340 HydrophobicContact CB-CB 4.12Å; D337-N340 VanDerWaalsContact O-CB 3.27Å; D337-N340 WeakPolarHBondContact O-CB 3.48Å; D337-N340 PolarHBondContact O-N 3.5Å; D337-N340 WeakPolarHBondContact OD2-CB 3.26Å; D337-N340 PolarHBondContact OD2-ND2 3.14Å; D337-N340 VanDerWaalsContact OD2-ND2 3.12Å
338K92.4Very high94.2Very high170 Ų17044.1 Ų44.174%0.73921%0.209SC*.THydrogen-bonded Turntrans-63.9-18.5-176.6-65176.6-178.8179.70114.1L334L334-K338 WeakPolarHBondContact O-CA 3.23Å; L334-K338 WeakPolarHBondContact O-CG 3.47Å; L334-K338 PolarHBondContact O-N 2.9Å
339Q90.5Very high93.9Very high134 Ų13440.7 Ų40.763%0.62619%0.192SC*.THydrogen-bonded Turntrans-102.910.1-177.7-62.2-173.4-77.700112.1D337 V341 N370D337-Q339 PolarHBondContact O-N 3.25Å; D337-Q339 VanDerWaalsContact O-N 3.16Å; D337-Q339 PolarHBondContact OD1-N 2.94Å; Q339-V341 PolarHBondContact O-N 3.42Å; Q339-N370 WeakPolarHBondContact CG-OD1 3.48Å; Q339-N370 PolarHBondContact NE2-OD1 3.48Å
340N93.3Very high93.6Very high14 Ų1439.5 Ų39.58%0.07519%0.187CC..  trans-7095.4-177.7-159.5-68.6000112L334 D337 E342 A343 L344L334-N340 HydrophobicContact CD2-CB 4.42Å; D337-N340 HydrophobicContact CB-CB 4.12Å; D337-N340 VanDerWaalsContact O-CB 3.27Å; D337-N340 WeakPolarHBondContact O-CB 3.48Å; D337-N340 PolarHBondContact O-N 3.5Å; D337-N340 WeakPolarHBondContact OD2-CB 3.26Å; D337-N340 PolarHBondContact OD2-ND2 3.14Å; D337-N340 VanDerWaalsContact OD2-ND2 3.12Å; N340-E342 PolarHBondContact O-N 3.09Å; N340-E342 PolarHBondContact OD1-N 3.07Å; N340-A343 HydrophobicContact CB-CB 3.92Å; N340-A343 WeakPolarHBondContact O-CB 3.49Å; N340-A343 PolarHBondContact O-N 3.31Å; N340-A343 PolarHBondContact OD1-N 3.28Å; N340-A343 VanDerWaalsContact OD1-N 3.15Å; N340-L344 PolarHBondContact O-N 2.91Å
341V93.6Very high93.5Very high20 Ų2041.3 Ų41.312%0.12119%0.194CC..Hα-helixtrans-51.3-40.7180177.40000112.4Q339 L344 V345 A367 N370 C371 H374Q339-V341 PolarHBondContact O-N 3.42Å; V341-L344 PolarHBondContact O-N 3.47Å; V341-V345 HydrophobicContact CG1-CG2 4.49Å; V341-V345 WeakPolarHBondContact O-CB 3.46Å; V341-V345 VanDerWaalsContact O-CG2 3.28Å; V341-V345 WeakPolarHBondContact O-CG2 3.46Å; V341-V345 PolarHBondContact O-N 2.81Å; V341-A367 HydrophobicContact CG1-CB 4.24Å; V341-N370 HydrophobicContact CG2-CB 3.75Å; V341-C371 HydrophobicContact CG1-CB 4.16Å; V341-C371 HydrophobicContact CG2-CB 3.83Å; V341-H374 HydrophobicContact CG1-CB 4.2Å
342E91.1Very high93.1Very high29 Ų2940 Ų4014%0.13619%0.188CC..Hα-helixtrans-68-37.9-180-60-71.7-166.400111.7V311 N340 A346 H374 L751 F755V311-E342 HydrophobicContact CG1-CB 4.27Å; N340-E342 PolarHBondContact O-N 3.09Å; N340-E342 PolarHBondContact OD1-N 3.07Å; E342-A346 WeakPolarHBondContact O-CB 3.46Å; E342-A346 PolarHBondContact O-N 2.89Å; E342-H374 IonicContact OE2-CE1 3.41Å; E342-L751 WeakPolarHBondContact OE1-CD1 3.37Å; E342-F755 WeakPolarHBondContact OE2-CE2 3.42Å; E342-F755 VanDerWaalsContact OE2-CZ 3.24Å; E342-F755 WeakPolarHBondContact OE2-CZ 3.19Å
343A93.9Very high92.6Very high0 Ų038.1 Ų38.10%019%0.185CC..Hα-helixtrans-69.1-41.9175.400000112.1V311 A333 L334 N340 R347V311-A343 HydrophobicContact CG2-CB 3.45Å; V311-A343 VanDerWaalsContact CG2-CB 3.45Å; A333-A343 HydrophobicContact CB-CB 3.71Å; L334-A343 HydrophobicContact CD1-CB 4.36Å; L334-A343 HydrophobicContact CD2-CB 3.75Å; L334-A343 HydrophobicContact CG-CB 3.75Å; N340-A343 HydrophobicContact CB-CB 3.92Å; N340-A343 WeakPolarHBondContact O-CB 3.49Å; N340-A343 PolarHBondContact O-N 3.31Å; N340-A343 PolarHBondContact OD1-N 3.28Å; N340-A343 VanDerWaalsContact OD1-N 3.15Å; A343-R347 VanDerWaalsContact O-CB 3.26Å; A343-R347 WeakPolarHBondContact O-CB 3.3Å; A343-R347 PolarHBondContact O-N 3.17Å
344L95.4Very high92.2Very high7 Ų742.5 Ų42.54%0.03720%0.204CC..Hα-helixtrans-59.7-48.6173.9-69.7174.7000111L334 N340 V341 R347 G348 L366 A367L334-L344 HydrophobicContact CD1-CD2 3.95Å; L334-L344 HydrophobicContact CD2-CD2 3.74Å; L334-L344 HydrophobicContact CD2-CG 3.83Å; N340-L344 PolarHBondContact O-N 2.91Å; V341-L344 PolarHBondContact O-N 3.47Å; L344-R347 PolarHBondContact O-N 2.93Å; L344-G348 PolarHBondContact O-N 3Å; L344-L366 HydrophobicContact CD1-CB 4.01Å; L344-A367 HydrophobicContact CB-CB 3.92Å; L344-A367 HydrophobicContact CD1-CB 4.29Å
345V94.6Very high91.7Very high0 Ų043.6 Ų43.60%022%0.219CC..Hα-helixtrans-65.6-42.8179.7173.30000112.1V341 R347 G348 A349 F364 A367 A377 Y380 F755V341-V345 HydrophobicContact CG1-CG2 4.49Å; V341-V345 WeakPolarHBondContact O-CB 3.46Å; V341-V345 VanDerWaalsContact O-CG2 3.28Å; V341-V345 WeakPolarHBondContact O-CG2 3.46Å; V341-V345 PolarHBondContact O-N 2.81Å; V345-R347 VanDerWaalsContact C-N 3.32Å; V345-R347 PolarHBondContact O-N 3.42Å; V345-G348 PolarHBondContact O-N 2.91Å; V345-A349 WeakPolarHBondContact O-CB 3.36Å; V345-A349 PolarHBondContact O-N 2.68Å; V345-F364 HydrophobicContact CB-CE1 4.37Å; V345-F364 HydrophobicContact CG1-CE1 4.07Å; V345-F364 HydrophobicContact CG2-CD1 4.29Å; V345-F364 WeakPolarHBondContact O-CE1 3.48Å; V345-A367 HydrophobicContact CG2-CB 3.71Å; V345-A377 HydrophobicContact CG2-CB 3.59Å; V345-Y380 HydrophobicContact CG1-CD2 4.03Å; V345-Y380 HydrophobicContact CG1-CE2 4.35Å; V345-F755 HydrophobicContact CG1-CE1 3.79Å; V345-F755 HydrophobicContact CG1-CZ 4.1Å
346A92.4Very high91.5Very high3 Ų339 Ų393%0.02520%0.204CC..Hα-helixtrans-66.4-35.1178.400000112.1V311 Y330 E342 L350V311-A346 HydrophobicContact CG1-CB 4.21Å; Y330-A346 HydrophobicContact CD1-CB 4.01Å; Y330-A346 HydrophobicContact CD2-CB 4.34Å; Y330-A346 HydrophobicContact CE1-CB 3.56Å; Y330-A346 HydrophobicContact CE2-CB 3.92Å; Y330-A346 WeakPolarHBondContact CE2-O 3.15Å; Y330-A346 HydrophobicContact CG-CB 4.39Å; E342-A346 WeakPolarHBondContact O-CB 3.46Å; E342-A346 PolarHBondContact O-N 2.89Å; A346-L350 WeakPolarHBondContact O-CB 3.4Å; A346-L350 PolarHBondContact O-N 3.34Å
347R94.6Very high91.4Very high46 Ų4636 Ų3617%0.17419%0.188CC..Hα-helixtrans-72.4-41.7173.7-163.517570.5-176.6-4.7112.5M327 Y330 N331 A343 L344 V345 A349 L350 Y351 D363M327-R347 HydrophobicContact CE-CG 4.12Å; M327-R347 HydrophobicContact SD-CG 3.68Å; Y330-R347 HydrophobicContact CD2-CB 4.18Å; Y330-R347 HydrophobicContact CG-CB 4.45Å; N331-R347 VanDerWaalsContact OD1-CD 3.23Å; N331-R347 WeakPolarHBondContact OD1-CD 3.38Å; N331-R347 PolarHBondContact OD1-NH1 3.48Å; A343-R347 VanDerWaalsContact O-CB 3.26Å; A343-R347 WeakPolarHBondContact O-CB 3.3Å; A343-R347 PolarHBondContact O-N 3.17Å; L344-R347 PolarHBondContact O-N 2.93Å; V345-R347 VanDerWaalsContact C-N 3.32Å; V345-R347 PolarHBondContact O-N 3.42Å; R347-A349 PolarHBondContact O-N 2.83Å; R347-L350 CarbonylContact O-C 3.28Å; R347-L350 WeakPolarHBondContact O-CA 3.17Å; R347-L350 WeakPolarHBondContact O-CB 3.46Å; R347-L350 PolarHBondContact O-N 3.27Å; R347-L350 VanDerWaalsContact O-N 3.07Å; R347-Y351 HydrophobicContact CG-CD2 4.03Å; R347-Y351 HydrophobicContact CG-CE2 3.68Å; R347-Y351 WeakPolarHBondContact O-CD2 3.38Å; R347-Y351 PolarHBondContact O-N 3.49Å; R347-D363 WeakPolarHBondContact CG-OD2 3.38Å; R347-D363 IonicContact CZ-OD1 3.55Å; R347-D363 IonicContact CZ-OD2 3.59Å; R347-D363 IonicContact NE-OD1 3.28Å; R347-D363 PolarHBondContact NE-OD1 3.49Å; R347-D363 IonicContact NE-OD2 3.69Å; R347-D363 PolarHBondContact NE-OD2 2.79Å; R347-D363 IonicContact NH2-OD1 2.69Å; R347-D363 PolarHBondContact NH2-OD1 2.78Å; R347-D363 IonicContact NH2-OD2 2.61Å
348G93.9Very high91.4Very high0 Ų038 Ų380%020%0.199CC..Hα-helixtrans-58.2-45.6174.400000112L344 V345 L350 Y351 A352 A360L344-G348 PolarHBondContact O-N 3Å; V345-G348 PolarHBondContact O-N 2.91Å; G348-L350 VanDerWaalsContact C-N 3.3Å; G348-L350 PolarHBondContact O-N 3.08Å; G348-Y351 PolarHBondContact O-N 2.82Å; G348-Y351 VanDerWaalsContact O-N 3.14Å; G348-A352 WeakPolarHBondContact O-CB 3.3Å; G348-A352 PolarHBondContact O-N 3.33Å; G348-A360 VanDerWaalsContact O-CB 3.22Å; G348-A360 WeakPolarHBondContact O-CB 3.4Å
349A90.4Very high91.5Very high7 Ų735.1 Ų35.16%0.05819%0.186CC..Hα-helixtrans-63.2-34.2174.200000112.6V345 R347 A352 T353 F364V345-A349 WeakPolarHBondContact O-CB 3.36Å; V345-A349 PolarHBondContact O-N 2.68Å; R347-A349 PolarHBondContact O-N 2.83Å; A349-A352 PolarHBondContact O-N 3.45Å; A349-T353 WeakPolarHBondContact O-CB 3.46Å; A349-T353 WeakPolarHBondContact O-CG2 3.42Å; A349-T353 PolarHBondContact O-N 2.76Å; A349-T353 PolarHBondContact O-OG1 2.8Å; A349-F364 HydrophobicContact CB-CZ 4.38Å; A349-F364 VanDerWaalsContact N-CZ 3.33Å
350L90.6Very high91.6Very high1 Ų128.7 Ų28.71%0.00516%0.156CC..Hα-helixtrans-73.6-27.3174-176.455.6000113.5F318 H323 A326 M327 Y330 A346 R347 G348 T353 K354F318-L350 HydrophobicContact CD2-CD1 3.82Å; F318-L350 HydrophobicContact CE2-CD1 3.81Å; H323-L350 HydrophobicContact CB-CD1 3.95Å; A326-L350 HydrophobicContact CB-CD2 3.91Å; M327-L350 HydrophobicContact CB-CD2 3.72Å; M327-L350 HydrophobicContact CE-CB 4.44Å; M327-L350 HydrophobicContact CE-CD2 3.92Å; M327-L350 HydrophobicContact CE-CG 3.92Å; M327-L350 HydrophobicContact SD-CD2 4.43Å; Y330-L350 HydrophobicContact CD2-CB 4.41Å; Y330-L350 HydrophobicContact CD2-CD2 3.83Å; Y330-L350 HydrophobicContact CE2-CB 4.09Å; Y330-L350 HydrophobicContact CE2-CD2 3.75Å; A346-L350 WeakPolarHBondContact O-CB 3.4Å; A346-L350 PolarHBondContact O-N 3.34Å; R347-L350 CarbonylContact O-C 3.28Å; R347-L350 WeakPolarHBondContact O-CA 3.17Å; R347-L350 WeakPolarHBondContact O-CB 3.46Å; R347-L350 PolarHBondContact O-N 3.27Å; R347-L350 VanDerWaalsContact O-N 3.07Å; G348-L350 VanDerWaalsContact C-N 3.3Å; G348-L350 PolarHBondContact O-N 3.08Å; L350-T353 WeakPolarHBondContact CA-OG1 3.31Å; L350-T353 PolarHBondContact O-OG1 2.71Å; L350-K354 HydrophobicContact CD1-CD 4.46Å; L350-K354 WeakPolarHBondContact O-CD 3.16Å; L350-K354 VanDerWaalsContact O-CG 3.26Å; L350-K354 WeakPolarHBondContact O-CG 3.37Å
351Y92.4Very high91.7Very high41 Ų4128.5 Ų28.516%0.16116%0.155CC..Hα-helixtrans-74.7-41.5168.7-78.2-52.8000111.6M327 R347 G348 K354 G355 S356 K359 D363M327-Y351 HydrophobicContact CE-CD1 3.8Å; M327-Y351 HydrophobicContact CE-CD2 4.43Å; M327-Y351 HydrophobicContact CE-CE1 3.46Å; M327-Y351 VanDerWaalsContact CE-CE1 3.46Å; M327-Y351 HydrophobicContact CE-CE2 4.16Å; M327-Y351 HydrophobicContact CE-CG 4.27Å; M327-Y351 HydrophobicContact SD-CE1 4.47Å; R347-Y351 HydrophobicContact CG-CD2 4.03Å; R347-Y351 HydrophobicContact CG-CE2 3.68Å; R347-Y351 WeakPolarHBondContact O-CD2 3.38Å; R347-Y351 PolarHBondContact O-N 3.49Å; G348-Y351 PolarHBondContact O-N 2.82Å; G348-Y351 VanDerWaalsContact O-N 3.14Å; Y351-K354 CarbonylContact O-C 3.32Å; Y351-K354 PolarHBondContact O-N 2.86Å; Y351-K354 VanDerWaalsContact O-N 3.11Å; Y351-G355 PolarHBondContact O-N 3.38Å; Y351-S356 PolarHBondContact O-N 3.32Å; Y351-K359 HydrophobicContact CD1-CB 4.25Å; Y351-K359 HydrophobicContact CD1-CD 4.4Å; Y351-K359 HydrophobicContact CD2-CB 3.88Å; Y351-K359 HydrophobicContact CE1-CD 4.03Å; Y351-K359 HydrophobicContact CE2-CB 4.15Å; Y351-K359 HydrophobicContact CG-CB 3.94Å; Y351-D363 WeakPolarHBondContact CD2-OD2 3.26Å; Y351-D363 WeakPolarHBondContact CE2-OD2 3.33Å
352A88.6Confident91.8Very high15 Ų1532.7 Ų32.712%0.12417%0.173CC..Hα-helixtrans-57.1-53.1175.900000111.2G348 A349 K354 G355 L357 A360 T384G348-A352 WeakPolarHBondContact O-CB 3.3Å; G348-A352 PolarHBondContact O-N 3.33Å; A349-A352 PolarHBondContact O-N 3.45Å; A352-K354 PolarHBondContact O-N 2.86Å; A352-G355 PolarHBondContact O-N 2.91Å; A352-L357 HydrophobicContact CB-CD2 4.47Å; A352-A360 HydrophobicContact CB-CB 4.06Å; A352-T384 HydrophobicContact CB-CG2 3.49Å; A352-T384 VanDerWaalsContact CB-CG2 3.49Å
353T85.7Confident92Very high50 Ų5031.6 Ų31.631%0.30717%0.168SC..THydrogen-bonded Turntrans-67.2-6.3177.852.10000115F318 A349 L350F318-T353 HydrophobicContact CZ-CG2 4.35Å; A349-T353 WeakPolarHBondContact O-CB 3.46Å; A349-T353 WeakPolarHBondContact O-CG2 3.42Å; A349-T353 PolarHBondContact O-N 2.76Å; A349-T353 PolarHBondContact O-OG1 2.8Å; L350-T353 WeakPolarHBondContact CA-OG1 3.31Å; L350-T353 PolarHBondContact O-OG1 2.71Å
354K86.9Confident92.1Very high92 Ų9231.6 Ų31.640%0.417%0.168SC..THydrogen-bonded Turntrans-104.88.5168.9-71.8177.8-177.4175.60113.3H323 L350 Y351 A352 S356H323-K354 WeakPolarHBondContact O-CE 3.4Å; H323-K354 PolarHBondContact O-NZ 3.17Å; L350-K354 HydrophobicContact CD1-CD 4.46Å; L350-K354 WeakPolarHBondContact O-CD 3.16Å; L350-K354 VanDerWaalsContact O-CG 3.26Å; L350-K354 WeakPolarHBondContact O-CG 3.37Å; Y351-K354 CarbonylContact O-C 3.32Å; Y351-K354 PolarHBondContact O-N 2.86Å; Y351-K354 VanDerWaalsContact O-N 3.11Å; A352-K354 PolarHBondContact O-N 2.86Å; K354-S356 PolarHBondContact O-N 2.67Å
355G84.1Confident92.1Very high40 Ų4034.6 Ų34.641%0.41218%0.182SC..THydrogen-bonded Turntrans69.77.8-177.400000115Y351 A352 L357Y351-G355 PolarHBondContact O-N 3.38Å; A352-G355 PolarHBondContact O-N 2.91Å; G355-L357 PolarHBondContact O-N 3.23Å
356S91.7Very high92.1Very high51 Ų5138.3 Ų38.336%0.35720%0.202SC..  trans-84.550.2-178-620000111.8Y351 K354 N358 K359 A360Y351-S356 PolarHBondContact O-N 3.32Å; K354-S356 PolarHBondContact O-N 2.67Å; S356-N358 PolarHBondContact O-N 3.25Å; S356-K359 PolarHBondContact O-N 3.32Å; S356-A360 PolarHBondContact O-N 2.85Å
357L90.8Very high92.2Very high3 Ų338.1 Ų38.12%0.01620%0.2CC..Hα-helixtrans-58.5-38-161-55.8-172.6000114.6A352 G355 K359 A360 I361 T384 E387 R388 Q391A352-L357 HydrophobicContact CB-CD2 4.47Å; G355-L357 PolarHBondContact O-N 3.23Å; L357-K359 VanDerWaalsContact C-N 3.28Å; L357-K359 PolarHBondContact O-N 2.78Å; L357-A360 WeakPolarHBondContact O-CB 3.49Å; L357-A360 PolarHBondContact O-N 3.21Å; L357-A360 VanDerWaalsContact O-N 3.09Å; L357-I361 WeakPolarHBondContact O-CG1 3.28Å; L357-I361 PolarHBondContact O-N 2.93Å; L357-T384 HydrophobicContact CD2-CG2 4.39Å; L357-E387 HydrophobicContact CD1-CB 3.81Å; L357-E387 HydrophobicContact CD1-CG 3.74Å; L357-R388 HydrophobicContact CB-CB 4.11Å; L357-R388 HydrophobicContact CB-CG 4.4Å; L357-R388 HydrophobicContact CD1-CB 3.79Å; L357-Q391 HydrophobicContact CD1-CG 4.44Å
358N93.3Very high92.1Very high76 Ų7637 Ų3741%0.40620%0.198SC..Hα-helixtrans-57.5-42177.5-59.7-11.5000111.6S356 I361 E362 R388S356-N358 PolarHBondContact O-N 3.25Å; N358-I361 WeakPolarHBondContact O-CB 3.48Å; N358-I361 PolarHBondContact O-N 2.82Å; N358-E362 WeakPolarHBondContact O-CG 3.43Å; N358-E362 PolarHBondContact O-N 3Å; N358-R388 PolarHBondContact OD1-NE 3.02Å
359K94.1Very high92.1Very high108 Ų10843.9 Ų43.947%0.4723%0.23SC..Hα-helixtrans-72.1-29177.4-65.1-171.1174.6-171.60113.1Y351 S356 L357 D363Y351-K359 HydrophobicContact CD1-CB 4.25Å; Y351-K359 HydrophobicContact CD1-CD 4.4Å; Y351-K359 HydrophobicContact CD2-CB 3.88Å; Y351-K359 HydrophobicContact CE1-CD 4.03Å; Y351-K359 HydrophobicContact CE2-CB 4.15Å; Y351-K359 HydrophobicContact CG-CB 3.94Å; S356-K359 PolarHBondContact O-N 3.32Å; L357-K359 VanDerWaalsContact C-N 3.28Å; L357-K359 PolarHBondContact O-N 2.78Å; K359-D363 WeakPolarHBondContact O-CB 3.02Å; K359-D363 PolarHBondContact O-N 3.04Å
360A93.1Very high92.2Very high0 Ų046.3 Ų46.30%024%0.242CC..Hα-helixtrans-66.9-43.9171.700000110.8G348 A352 S356 L357 D363 F364 T384G348-A360 VanDerWaalsContact O-CB 3.22Å; G348-A360 WeakPolarHBondContact O-CB 3.4Å; A352-A360 HydrophobicContact CB-CB 4.06Å; S356-A360 PolarHBondContact O-N 2.85Å; L357-A360 WeakPolarHBondContact O-CB 3.49Å; L357-A360 PolarHBondContact O-N 3.21Å; L357-A360 VanDerWaalsContact O-N 3.09Å; A360-D363 PolarHBondContact O-N 3.32Å; A360-F364 HydrophobicContact CB-CD2 4.38Å; A360-F364 HydrophobicContact CB-CE2 4.03Å; A360-F364 WeakPolarHBondContact O-CB 3.29Å; A360-F364 WeakPolarHBondContact O-CD2 3.39Å; A360-F364 WeakPolarHBondContact O-CG 3.44Å; A360-F364 PolarHBondContact O-N 3.3Å; A360-T384 HydrophobicContact CB-CG2 4.2Å
361I95.2Very high92.2Very high9 Ų948.8 Ų48.85%0.04626%0.259CS..Hα-helixtrans-60.5-48.2174.8-68.2160.2000110.3L357 N358 D363 F364 E365 L381 L385 R388 Y404L357-I361 WeakPolarHBondContact O-CG1 3.28Å; L357-I361 PolarHBondContact O-N 2.93Å; N358-I361 WeakPolarHBondContact O-CB 3.48Å; N358-I361 PolarHBondContact O-N 2.82Å; I361-D363 PolarHBondContact O-N 2.94Å; I361-F364 PolarHBondContact O-N 3.18Å; I361-E365 HydrophobicContact CG2-CG 4.18Å; I361-E365 WeakPolarHBondContact O-CB 3.44Å; I361-E365 WeakPolarHBondContact O-CG 3.37Å; I361-E365 PolarHBondContact O-N 3.49Å; I361-L381 HydrophobicContact CB-CD1 4.24Å; I361-L381 HydrophobicContact CG1-CD1 4.1Å; I361-L381 HydrophobicContact CG2-CD1 4Å; I361-L385 HydrophobicContact CD1-CD2 3.94Å; I361-L385 HydrophobicContact CG1-CD2 4.05Å; I361-L385 HydrophobicContact CG2-CD2 4.18Å; I361-R388 HydrophobicContact CD1-CB 4.12Å; I361-R388 HydrophobicContact CD1-CG 4.3Å; I361-Y404 HydrophobicContact CD1-CE1 4.18Å
362E95.9Very high92.1Very high109 Ų10951.7 Ų51.751%0.50928%0.283SS..Hα-helixtrans-54.3-51.3174.5-71.2159.1-158.900112.2N358 F364 L366N358-E362 WeakPolarHBondContact O-CG 3.43Å; N358-E362 PolarHBondContact O-N 3Å; E362-F364 PolarHBondContact O-N 2.91Å; E362-L366 WeakPolarHBondContact O-CB 3.31Å; E362-L366 VanDerWaalsContact O-CG 3.29Å; E362-L366 WeakPolarHBondContact O-CG 3.44Å; E362-L366 PolarHBondContact O-N 2.91Å
363D94.8Very high92.1Very high6 Ų657.5 Ų57.53%0.03232%0.316CS..Hα-helixtrans-63.2-37178.4-86.6-14.6000112.6R347 Y351 K359 A360 I361 A367R347-D363 WeakPolarHBondContact CG-OD2 3.38Å; R347-D363 IonicContact CZ-OD1 3.55Å; R347-D363 IonicContact CZ-OD2 3.59Å; R347-D363 IonicContact NE-OD1 3.28Å; R347-D363 PolarHBondContact NE-OD1 3.49Å; R347-D363 IonicContact NE-OD2 3.69Å; R347-D363 PolarHBondContact NE-OD2 2.79Å; R347-D363 IonicContact NH2-OD1 2.69Å; R347-D363 PolarHBondContact NH2-OD1 2.78Å; R347-D363 IonicContact NH2-OD2 2.61Å; Y351-D363 WeakPolarHBondContact CD2-OD2 3.26Å; Y351-D363 WeakPolarHBondContact CE2-OD2 3.33Å; K359-D363 WeakPolarHBondContact O-CB 3.02Å; K359-D363 PolarHBondContact O-N 3.04Å; A360-D363 PolarHBondContact O-N 3.32Å; I361-D363 PolarHBondContact O-N 2.94Å; D363-A367 WeakPolarHBondContact O-CB 3.42Å; D363-A367 PolarHBondContact O-N 3.25Å
364F95.1Very high92.4Very high0 Ų056.4 Ų56.40%031%0.308CS..Hα-helixtrans-78.4-35.7179.2-65.2-44.2000113.8V345 A349 A360 I361 E362 A367 L368 Y380 L381 T384V345-F364 HydrophobicContact CB-CE1 4.37Å; V345-F364 HydrophobicContact CG1-CE1 4.07Å; V345-F364 HydrophobicContact CG2-CD1 4.29Å; V345-F364 WeakPolarHBondContact O-CE1 3.48Å; A349-F364 HydrophobicContact CB-CZ 4.38Å; A349-F364 VanDerWaalsContact N-CZ 3.33Å; A360-F364 HydrophobicContact CB-CD2 4.38Å; A360-F364 HydrophobicContact CB-CE2 4.03Å; A360-F364 WeakPolarHBondContact O-CB 3.29Å; A360-F364 WeakPolarHBondContact O-CD2 3.39Å; A360-F364 WeakPolarHBondContact O-CG 3.44Å; A360-F364 PolarHBondContact O-N 3.3Å; I361-F364 PolarHBondContact O-N 3.18Å; E362-F364 PolarHBondContact O-N 2.91Å; F364-A367 PolarHBondContact O-N 3.4Å; F364-L368 WeakPolarHBondContact O-CG 3.29Å; F364-L368 PolarHBondContact O-N 2.92Å; F364-Y380 HydrophobicContact CE1-CD2 4.44Å; F364-Y380 HydrophobicContact CE1-CG 4.42Å; F364-Y380 HydrophobicContact CZ-CG 4.12Å; F364-L381 HydrophobicContact CB-CB 3.92Å; F364-L381 HydrophobicContact CB-CD1 4.06Å; F364-L381 HydrophobicContact CB-CD2 4.46Å; F364-L381 HydrophobicContact CB-CG 4.35Å; F364-L381 HydrophobicContact CD2-CB 4.34Å; F364-L381 HydrophobicContact CG-CB 4.39Å; F364-T384 HydrophobicContact CE2-CG2 3.96Å
365E95.1Very high92.5Very high70 Ų7062 Ų6233%0.32733%0.326SS..Hα-helixtrans-63-47.2172.8-74.3-178.9158.400108.7I361 A367 L368 E369 L381 K407I361-E365 HydrophobicContact CG2-CG 4.18Å; I361-E365 WeakPolarHBondContact O-CB 3.44Å; I361-E365 WeakPolarHBondContact O-CG 3.37Å; I361-E365 PolarHBondContact O-N 3.49Å; E365-A367 VanDerWaalsContact C-N 3.33Å; E365-A367 PolarHBondContact O-N 3.49Å; E365-L368 PolarHBondContact O-N 3.21Å; E365-L368 VanDerWaalsContact O-N 3.11Å; E365-E369 PolarHBondContact O-N 3.02Å; E365-L381 HydrophobicContact CG-CD1 4.22Å; E365-L381 HydrophobicContact CG-CD2 3.92Å; E365-K407 IonicContact OE1-NZ 3.76Å; E365-K407 PolarHBondContact OE1-NZ 2.87Å
366L95.1Very high92.6Very high77 Ų7761.6 Ų61.640%0.40332%0.315SS..Hα-helixtrans-59.5-37.2171.9-71.2170.2000113.4L344 E362 L368 E369 N370L344-L366 HydrophobicContact CD1-CB 4.01Å; E362-L366 WeakPolarHBondContact O-CB 3.31Å; E362-L366 VanDerWaalsContact O-CG 3.29Å; E362-L366 WeakPolarHBondContact O-CG 3.44Å; E362-L366 PolarHBondContact O-N 2.91Å; L366-L368 VanDerWaalsContact C-N 3.32Å; L366-L368 PolarHBondContact O-N 3.43Å; L366-E369 PolarHBondContact O-N 3.07Å; L366-N370 PolarHBondContact O-N 3.25Å; L366-N370 PolarHBondContact O-ND2 3.43Å
367A94.2Very high92.5Very high0 Ų059.2 Ų59.20%030%0.298CS..Hα-helixtrans-65.6-34.9176.200000112.5V341 L344 V345 D363 F364 E365 C371 A377V341-A367 HydrophobicContact CG1-CB 4.24Å; L344-A367 HydrophobicContact CB-CB 3.92Å; L344-A367 HydrophobicContact CD1-CB 4.29Å; V345-A367 HydrophobicContact CG2-CB 3.71Å; D363-A367 WeakPolarHBondContact O-CB 3.42Å; D363-A367 PolarHBondContact O-N 3.25Å; F364-A367 PolarHBondContact O-N 3.4Å; E365-A367 VanDerWaalsContact C-N 3.33Å; E365-A367 PolarHBondContact O-N 3.49Å; A367-C371 PolarHBondContact O-N 3.42Å; A367-A377 HydrophobicContact CB-CB 4.07Å
368L93.5Very high92.5Very high22 Ų2263.8 Ų63.812%0.11532%0.315CS..Hα-helixtrans-80.1-29.8176.4-71172.3000112.9F364 E365 L366 N370 C371 P372 A377 R378 L381 L411F364-L368 WeakPolarHBondContact O-CG 3.29Å; F364-L368 PolarHBondContact O-N 2.92Å; E365-L368 PolarHBondContact O-N 3.21Å; E365-L368 VanDerWaalsContact O-N 3.11Å; L366-L368 VanDerWaalsContact C-N 3.32Å; L366-L368 PolarHBondContact O-N 3.43Å; L368-N370 VanDerWaalsContact C-N 3.33Å; L368-C371 CarbonylContact O-C 3.48Å; L368-C371 PolarHBondContact O-N 2.89Å; L368-P372 WeakPolarHBondContact O-CA 3.47Å; L368-P372 WeakPolarHBondContact O-CD 3.35Å; L368-P372 VanDerWaalsContact O-CG 3.28Å; L368-P372 WeakPolarHBondContact O-CG 3.44Å; L368-A377 HydrophobicContact CD2-CB 3.77Å; L368-A377 HydrophobicContact CG-CB 3.86Å; L368-R378 HydrophobicContact CD2-CB 4.32Å; L368-L381 HydrophobicContact CD1-CD2 3.61Å; L368-L411 HydrophobicContact CD1-CD2 4.4Å
369E94.4Very high92.4Very high145 Ų14564 Ų6468%0.67831%0.312SS*.Hα-helixtrans-60.4-44.1168.7-73.2-179.417500111.2E365 L366E365-E369 PolarHBondContact O-N 3.02Å; L366-E369 PolarHBondContact O-N 3.07Å
370N91Very high92.2Very high57 Ų5759.4 Ų59.431%0.30529%0.292SS..Hα-helixtrans-75.9-29.2178-71.1-81.5000113Q339 V341 L366 L368Q339-N370 WeakPolarHBondContact CG-OD1 3.48Å; Q339-N370 PolarHBondContact NE2-OD1 3.48Å; V341-N370 HydrophobicContact CG2-CB 3.75Å; L366-N370 PolarHBondContact O-N 3.25Å; L366-N370 PolarHBondContact O-ND2 3.43Å; L368-N370 VanDerWaalsContact C-N 3.33Å
371C90.6Very high92.3Very high54 Ų5459.5 Ų59.537%0.36529%0.293SS..  trans-147.889.1174.7-87.60000112.6V341 A367 L368 T373 H374V341-C371 HydrophobicContact CG1-CB 4.16Å; V341-C371 HydrophobicContact CG2-CB 3.83Å; A367-C371 PolarHBondContact O-N 3.42Å; L368-C371 CarbonylContact O-C 3.48Å; L368-C371 PolarHBondContact O-N 2.89Å; C371-T373 PolarHBondContact O-N 3.47Å; C371-H374 HydrophobicContact CB-CB 4.12Å; C371-H374 WeakPolarHBondContact O-CB 3.22Å; C371-H374 PolarHBondContact O-N 2.97Å
372P90.4Very high92.1Very high102 Ų10259 Ų5966%0.66229%0.29SS*.THydrogen-bonded Turntrans-60.9-22.9-176.1-27.134.2000115L368 H374L368-P372 WeakPolarHBondContact O-CA 3.47Å; L368-P372 WeakPolarHBondContact O-CD 3.35Å; L368-P372 VanDerWaalsContact O-CG 3.28Å; L368-P372 WeakPolarHBondContact O-CG 3.44Å; P372-H374 VanDerWaalsContact C-N 3.32Å
373T89.8Confident91.9Very high136 Ų13657.1 Ų57.183%0.83428%0.281SS*.THydrogen-bonded Turntrans-86.42.8179.453.60000113.6C371 R375C371-T373 PolarHBondContact O-N 3.47Å; T373-R375 PolarHBondContact O-N 3.03Å
374H90.5Very high91.7Very high27 Ų2757 Ų5713%0.12528%0.281CS..  trans-75.191.6-173.7-166.6-127.2000112.8V341 E342 C371 P372 N376 A377 R378V341-H374 HydrophobicContact CG1-CB 4.2Å; E342-H374 IonicContact OE2-CE1 3.41Å; C371-H374 HydrophobicContact CB-CB 4.12Å; C371-H374 WeakPolarHBondContact O-CB 3.22Å; C371-H374 PolarHBondContact O-N 2.97Å; P372-H374 VanDerWaalsContact C-N 3.32Å; H374-N376 PolarHBondContact O-N 2.94Å; H374-A377 HydrophobicContact CB-CB 4.17Å; H374-A377 PolarHBondContact ND1-N 3.4Å; H374-A377 WeakPolarHBondContact O-CB 3.44Å; H374-A377 PolarHBondContact O-N 3.19Å; H374-R378 PolarHBondContact O-N 3.26Å; H374-R378 VanDerWaalsContact O-N 3.1Å
375R88.9Confident91.7Very high209 Ų20957 Ų5779%0.78928%0.281SS*.Hα-helixtrans-47-40.2-176-171.5-177.9-175.2-164.62114.3T373 K379T373-R375 PolarHBondContact O-N 3.03Å; R375-K379 WeakPolarHBondContact O-CB 3.44Å; R375-K379 PolarHBondContact O-N 3.37Å
376N87.3Confident91.6Very high33 Ų3355 Ų5518%0.17627%0.273CS..Hα-helixtrans-74-41.5-177.5-64.3-19.2000111.6H374 R378 K379 Y380 F755H374-N376 PolarHBondContact O-N 2.94Å; N376-R378 VanDerWaalsContact C-N 3.35Å; N376-R378 PolarHBondContact O-N 3.39Å; N376-K379 PolarHBondContact O-N 2.96Å; N376-Y380 HydrophobicContact CB-CD2 4.39Å; N376-Y380 HydrophobicContact CB-CE2 4.25Å; N376-Y380 WeakPolarHBondContact O-CD2 3.39Å; N376-Y380 PolarHBondContact O-N 3.13Å; N376-F755 HydrophobicContact CB-CD1 4.44Å; N376-F755 HydrophobicContact CB-CG 4.5Å; N376-F755 WeakPolarHBondContact ND2-CD2 3.38Å; N376-F755 WeakPolarHBondContact ND2-CG 3.35Å
377A89.9Confident91.4Very high0 Ų055.9 Ų55.90%028%0.275CS..Hα-helixtrans-57.7-48.4172.600000110.8V345 A367 L368 H374 K379 Y380 L381V345-A377 HydrophobicContact CG2-CB 3.59Å; A367-A377 HydrophobicContact CB-CB 4.07Å; L368-A377 HydrophobicContact CD2-CB 3.77Å; L368-A377 HydrophobicContact CG-CB 3.86Å; H374-A377 HydrophobicContact CB-CB 4.17Å; H374-A377 PolarHBondContact ND1-N 3.4Å; H374-A377 WeakPolarHBondContact O-CB 3.44Å; H374-A377 PolarHBondContact O-N 3.19Å; A377-K379 PolarHBondContact O-N 2.91Å; A377-Y380 PolarHBondContact O-N 2.83Å; A377-L381 VanDerWaalsContact O-CB 3.23Å; A377-L381 WeakPolarHBondContact O-CB 3.16Å; A377-L381 PolarHBondContact O-N 2.94Å
378R91.1Very high91.3Very high99 Ų9957.5 Ų57.537%0.37428%0.281SS..Hα-helixtrans-58.3-47.8177.8-163.3179.592.5164.1-2.8112.2L368 H374 N376 L381 C382 L411 D412L368-R378 HydrophobicContact CD2-CB 4.32Å; H374-R378 PolarHBondContact O-N 3.26Å; H374-R378 VanDerWaalsContact O-N 3.1Å; N376-R378 VanDerWaalsContact C-N 3.35Å; N376-R378 PolarHBondContact O-N 3.39Å; R378-L381 PolarHBondContact O-N 3.28Å; R378-C382 PolarHBondContact O-N 3.37Å; R378-C382 PolarHBondContact O-SG 2.9Å; R378-L411 WeakPolarHBondContact CD-O 2.87Å; R378-L411 HydrophobicContact CG-CB 4.26Å; R378-L411 PolarHBondContact NE-O 3.02Å; R378-L411 PolarHBondContact NH1-O 2.79Å; R378-D412 IonicContact CZ-OD2 2.67Å; R378-D412 IonicContact NE-OD2 2.74Å; R378-D412 PolarHBondContact NE-OD2 3.47Å; R378-D412 IonicContact NH2-OD1 4Å; R378-D412 PolarHBondContact NH2-OD1 3.45Å; R378-D412 IonicContact NH2-OD2 3.5Å; R378-D412 PolarHBondContact NH2-OD2 3.09Å
379K90.6Very high91.3Very high80 Ų8056.4 Ų56.435%0.34828%0.276SS..Hα-helixtrans-58.9-53178.2-178.5-172.9170-83.80111.8R375 N376 A377 L381 C382 Q383R375-K379 WeakPolarHBondContact O-CB 3.44Å; R375-K379 PolarHBondContact O-N 3.37Å; N376-K379 PolarHBondContact O-N 2.96Å; A377-K379 PolarHBondContact O-N 2.91Å; K379-L381 VanDerWaalsContact C-N 3.31Å; K379-L381 PolarHBondContact O-N 2.86Å; K379-C382 PolarHBondContact O-N 3.04Å; K379-Q383 WeakPolarHBondContact O-CG 3.49Å; K379-Q383 PolarHBondContact O-N 3.31Å
380Y90.7Very high91.1Very high12 Ų1250.7 Ų50.75%0.04726%0.256CS..Hα-helixtrans-68.7-30.2-177.8-67.4-60.6000112.5V345 F364 N376 A377 T384 F755 I758V345-Y380 HydrophobicContact CG1-CD2 4.03Å; V345-Y380 HydrophobicContact CG1-CE2 4.35Å; F364-Y380 HydrophobicContact CE1-CD2 4.44Å; F364-Y380 HydrophobicContact CE1-CG 4.42Å; F364-Y380 HydrophobicContact CZ-CG 4.12Å; N376-Y380 HydrophobicContact CB-CD2 4.39Å; N376-Y380 HydrophobicContact CB-CE2 4.25Å; N376-Y380 WeakPolarHBondContact O-CD2 3.39Å; N376-Y380 PolarHBondContact O-N 3.13Å; A377-Y380 PolarHBondContact O-N 2.83Å; Y380-T384 WeakPolarHBondContact O-CB 3.45Å; Y380-T384 WeakPolarHBondContact O-CG2 3.41Å; Y380-T384 PolarHBondContact O-N 3.29Å; Y380-T384 PolarHBondContact O-OG1 3.47Å; Y380-F755 AromaticContact CE2-CD1 3.97Å; Y380-F755 HydrophobicContact CE2-CD1 3.97Å; Y380-F755 HydrophobicContact CE2-CE1 4.33Å; Y380-I758 WeakPolarHBondContact OH-CG2 3.47Å
381L93.7Very high91.1Very high2 Ų250.5 Ų50.51%0.0125%0.253CS..Hα-helixtrans-64.4-51.7170.5-175.755000111.2I361 F364 E365 L368 A377 R378 K379 Q383 T384 L385 L411I361-L381 HydrophobicContact CB-CD1 4.24Å; I361-L381 HydrophobicContact CG1-CD1 4.1Å; I361-L381 HydrophobicContact CG2-CD1 4Å; F364-L381 HydrophobicContact CB-CB 3.92Å; F364-L381 HydrophobicContact CB-CD1 4.06Å; F364-L381 HydrophobicContact CB-CD2 4.46Å; F364-L381 HydrophobicContact CB-CG 4.35Å; F364-L381 HydrophobicContact CD2-CB 4.34Å; F364-L381 HydrophobicContact CG-CB 4.39Å; E365-L381 HydrophobicContact CG-CD1 4.22Å; E365-L381 HydrophobicContact CG-CD2 3.92Å; L368-L381 HydrophobicContact CD1-CD2 3.61Å; A377-L381 VanDerWaalsContact O-CB 3.23Å; A377-L381 WeakPolarHBondContact O-CB 3.16Å; A377-L381 PolarHBondContact O-N 2.94Å; R378-L381 PolarHBondContact O-N 3.28Å; K379-L381 VanDerWaalsContact C-N 3.31Å; K379-L381 PolarHBondContact O-N 2.86Å; L381-Q383 VanDerWaalsContact C-N 3.26Å; L381-Q383 PolarHBondContact O-N 3.27Å; L381-T384 PolarHBondContact O-N 2.76Å; L381-T384 PolarHBondContact O-OG1 3Å; L381-L385 HydrophobicContact CD1-CD1 3.93Å; L381-L385 HydrophobicContact CD1-CD2 4.1Å; L381-L385 HydrophobicContact CD1-CG 3.79Å; L381-L385 HydrophobicContact CG-CD1 3.78Å; L381-L385 HydrophobicContact CG-CG 4.15Å; L381-L385 WeakPolarHBondContact O-CB 3.45Å; L381-L385 WeakPolarHBondContact O-CG 3.47Å; L381-L385 PolarHBondContact O-N 3.09Å; L381-L411 HydrophobicContact CD2-CD1 3.52Å; L381-L411 HydrophobicContact CD2-CD2 4.43Å; L381-L411 HydrophobicContact CG-CD1 3.72Å
382C92.2Very high91.1Very high0 Ų048.2 Ų48.20%024%0.237CC..Hα-helixtrans-55-42.1176-65.60000112.2R378 K379 V386 A408 L411 F415R378-C382 PolarHBondContact O-N 3.37Å; R378-C382 PolarHBondContact O-SG 2.9Å; K379-C382 PolarHBondContact O-N 3.04Å; C382-V386 WeakPolarHBondContact O-CG2 3.28Å; C382-V386 PolarHBondContact O-N 3.04Å; C382-A408 PolarHBondContact SG-O 2.82Å; C382-A408 VanDerWaalsContact SG-O 3.41Å; C382-L411 VanDerWaalsContact SG-CB 3.59Å; C382-F415 HydrophobicContact CB-CD1 4.06Å; C382-F415 HydrophobicContact CB-CE1 4.28Å; C382-F415 HydrophobicContact CB-CG 4.22Å
383Q90.7Very high91.1Very high68 Ų6846.1 Ų46.132%0.31822%0.218SC..Hα-helixtrans-64.9-47.4177.1-68.5-177.5-84.500112.5K379 L381 V386 E387 F415K379-Q383 WeakPolarHBondContact O-CG 3.49Å; K379-Q383 PolarHBondContact O-N 3.31Å; L381-Q383 VanDerWaalsContact C-N 3.26Å; L381-Q383 PolarHBondContact O-N 3.27Å; Q383-V386 PolarHBondContact O-N 2.84Å; Q383-E387 PolarHBondContact O-N 3.44Å; Q383-F415 HydrophobicContact CG-CE2 4.25Å; Q383-F415 HydrophobicContact CG-CZ 3.87Å
384T91.8Very high91Very high5 Ų547.6 Ų47.63%0.03122%0.216CC..Hα-helixtrans-72.1-30-179.847.90000113.9A352 L357 A360 F364 Y380 L381 R388A352-T384 HydrophobicContact CB-CG2 3.49Å; A352-T384 VanDerWaalsContact CB-CG2 3.49Å; L357-T384 HydrophobicContact CD2-CG2 4.39Å; A360-T384 HydrophobicContact CB-CG2 4.2Å; F364-T384 HydrophobicContact CE2-CG2 3.96Å; Y380-T384 WeakPolarHBondContact O-CB 3.45Å; Y380-T384 WeakPolarHBondContact O-CG2 3.41Å; Y380-T384 PolarHBondContact O-N 3.29Å; Y380-T384 PolarHBondContact O-OG1 3.47Å; L381-T384 PolarHBondContact O-N 2.76Å; L381-T384 PolarHBondContact O-OG1 3Å; T384-R388 VanDerWaalsContact O-CB 3.28Å; T384-R388 WeakPolarHBondContact O-CB 3.42Å; T384-R388 PolarHBondContact O-N 3.49Å
385L93.9Very high91Very high0 Ų049.9 Ų49.90%023%0.227CC..Hα-helixtrans-63.9-40.9170.2-68.3169.1000111.1I361 L381 G389 Y404 K407 A408 L411I361-L385 HydrophobicContact CD1-CD2 3.94Å; I361-L385 HydrophobicContact CG1-CD2 4.05Å; I361-L385 HydrophobicContact CG2-CD2 4.18Å; L381-L385 HydrophobicContact CD1-CD1 3.93Å; L381-L385 HydrophobicContact CD1-CD2 4.1Å; L381-L385 HydrophobicContact CD1-CG 3.79Å; L381-L385 HydrophobicContact CG-CD1 3.78Å; L381-L385 HydrophobicContact CG-CG 4.15Å; L381-L385 WeakPolarHBondContact O-CB 3.45Å; L381-L385 WeakPolarHBondContact O-CG 3.47Å; L381-L385 PolarHBondContact O-N 3.09Å; L385-G389 PolarHBondContact O-N 3.22Å; L385-Y404 HydrophobicContact CD2-CD1 3.59Å; L385-Y404 HydrophobicContact CD2-CE1 4.07Å; L385-K407 HydrophobicContact CD1-CB 4.01Å; L385-K407 HydrophobicContact CD2-CB 4.47Å; L385-K407 HydrophobicContact CD2-CD 4.21Å; L385-A408 HydrophobicContact CB-CB 4.05Å; L385-A408 HydrophobicContact CD1-CB 4.22Å; L385-L411 HydrophobicContact CD1-CD1 3.52Å
386V92.8Very high90.9Very high26 Ų2646.6 Ų46.616%0.15822%0.22CC..Hα-helixtrans-68.7-44.4174.6170.60000111.8C382 Q383 R388 G389 G390 Y405 A408 F415 A418C382-V386 WeakPolarHBondContact O-CG2 3.28Å; C382-V386 PolarHBondContact O-N 3.04Å; Q383-V386 PolarHBondContact O-N 2.84Å; V386-R388 VanDerWaalsContact C-N 3.29Å; V386-R388 PolarHBondContact O-N 3.2Å; V386-G389 WeakPolarHBondContact O-CA 3.26Å; V386-G389 PolarHBondContact O-N 3.24Å; V386-G389 VanDerWaalsContact O-N 3.14Å; V386-G390 PolarHBondContact O-N 3.41Å; V386-Y405 HydrophobicContact CB-CD1 4.49Å; V386-Y405 HydrophobicContact CB-CE1 4.37Å; V386-Y405 HydrophobicContact CG1-CE1 4.14Å; V386-Y405 HydrophobicContact CG2-CD1 4.05Å; V386-Y405 HydrophobicContact CG2-CE1 4.39Å; V386-A408 HydrophobicContact CG2-CB 4.11Å; V386-F415 HydrophobicContact CB-CE1 4.47Å; V386-F415 HydrophobicContact CG2-CD1 4.28Å; V386-F415 HydrophobicContact CG2-CE1 3.8Å; V386-A418 HydrophobicContact CG2-CB 3.56Å
387E91.1Very high91.1Very high96 Ų9649.7 Ų49.745%0.44923%0.232SC..Hα-helixtrans-61.2-38.9176.9-163.1-172.7162.200111.5L357 Q383 G390 Q391L357-E387 HydrophobicContact CD1-CB 3.81Å; L357-E387 HydrophobicContact CD1-CG 3.74Å; Q383-E387 PolarHBondContact O-N 3.44Å; E387-G390 PolarHBondContact O-N 3.01Å; E387-Q391 PolarHBondContact O-N 3.19Å; E387-Q391 VanDerWaalsContact O-N 3.1Å
388R92.9Very high91.1Very high34 Ų3451.7 Ų51.713%0.12824%0.241CC..Hα-helixtrans-73.6-30.6175.2-170.254.9-177.8136.317.5112.7L357 N358 I361 T384 V386 Q391 L392 E395L357-R388 HydrophobicContact CB-CB 4.11Å; L357-R388 HydrophobicContact CB-CG 4.4Å; L357-R388 HydrophobicContact CD1-CB 3.79Å; N358-R388 PolarHBondContact OD1-NE 3.02Å; I361-R388 HydrophobicContact CD1-CB 4.12Å; I361-R388 HydrophobicContact CD1-CG 4.3Å; T384-R388 VanDerWaalsContact O-CB 3.28Å; T384-R388 WeakPolarHBondContact O-CB 3.42Å; T384-R388 PolarHBondContact O-N 3.49Å; V386-R388 VanDerWaalsContact C-N 3.29Å; V386-R388 PolarHBondContact O-N 3.2Å; R388-Q391 VanDerWaalsContact CD-OE1 3.24Å; R388-L392 HydrophobicContact CG-CD1 4.34Å; R388-L392 WeakPolarHBondContact O-CB 3.02Å; R388-L392 WeakPolarHBondContact O-CD1 3.31Å; R388-L392 VanDerWaalsContact O-CG 3.3Å; R388-L392 WeakPolarHBondContact O-CG 3.22Å; R388-L392 PolarHBondContact O-N 3.14Å; R388-E395 IonicContact CZ-OE1 2.75Å; R388-E395 IonicContact NH1-OE1 2.65Å; R388-E395 PolarHBondContact NH1-OE1 3.05Å; R388-E395 IonicContact NH2-OE1 3.78Å; R388-E395 PolarHBondContact NH2-OE1 3.47Å
389G92.6Very high90.9Very high0 Ų053.2 Ų53.20%026%0.256CS..Hα-helixtrans-59-47.7167.600000111.7L385 V386 L392 E393 A401 Y405L385-G389 PolarHBondContact O-N 3.22Å; V386-G389 WeakPolarHBondContact O-CA 3.26Å; V386-G389 PolarHBondContact O-N 3.24Å; V386-G389 VanDerWaalsContact O-N 3.14Å; G389-L392 CarbonylContact O-C 3.59Å; G389-L392 WeakPolarHBondContact O-CA 3.41Å; G389-L392 WeakPolarHBondContact O-CB 3.44Å; G389-L392 PolarHBondContact O-N 3.05Å; G389-E393 PolarHBondContact O-N 3.31Å; G389-A401 WeakPolarHBondContact O-CB 3.43Å; G389-Y405 VanDerWaalsContact C-OH 3.3Å
390G90.9Very high91Very high24 Ų2453.6 Ų53.625%0.24726%0.261CS..Hα-helixtrans-60-46.7176.600000113.1V386 E387 L392 E393 E394 Y405V386-G390 PolarHBondContact O-N 3.41Å; E387-G390 PolarHBondContact O-N 3.01Å; G390-L392 PolarHBondContact O-N 2.97Å; G390-E393 WeakPolarHBondContact O-CB 3.25Å; G390-E393 PolarHBondContact O-N 3.17Å; G390-E394 PolarHBondContact O-N 3.04Å; G390-Y405 PolarHBondContact N-OH 2.86Å
391Q90.3Very high91Very high53 Ų5353 Ų5325%0.24826%0.259CS..Hα-helixtrans-57.8-35.4172.4-69.1179.4-3.800112.3L357 E387 R388 E394 E395L357-Q391 HydrophobicContact CD1-CG 4.44Å; E387-Q391 PolarHBondContact O-N 3.19Å; E387-Q391 VanDerWaalsContact O-N 3.1Å; R388-Q391 VanDerWaalsContact CD-OE1 3.24Å; Q391-E394 PolarHBondContact O-N 3.4Å; Q391-E395 VanDerWaalsContact O-CG 3.3Å; Q391-E395 WeakPolarHBondContact O-CG 3.5Å; Q391-E395 PolarHBondContact O-N 2.76Å
392L91.4Very high91Very high7 Ų754.3 Ų54.34%0.03727%0.265CS..Hα-helixtrans-76-21.7177.2-73165.9000113.4R388 G389 G390 E396 K397 N400 A401 Y404R388-L392 HydrophobicContact CG-CD1 4.34Å; R388-L392 WeakPolarHBondContact O-CB 3.02Å; R388-L392 WeakPolarHBondContact O-CD1 3.31Å; R388-L392 VanDerWaalsContact O-CG 3.3Å; R388-L392 WeakPolarHBondContact O-CG 3.22Å; R388-L392 PolarHBondContact O-N 3.14Å; G389-L392 CarbonylContact O-C 3.59Å; G389-L392 WeakPolarHBondContact O-CA 3.41Å; G389-L392 WeakPolarHBondContact O-CB 3.44Å; G389-L392 PolarHBondContact O-N 3.05Å; G390-L392 PolarHBondContact O-N 2.97Å; L392-E396 PolarHBondContact O-N 3.16Å; L392-K397 HydrophobicContact CB-CB 4.45Å; L392-K397 HydrophobicContact CD2-CB 4.07Å; L392-K397 HydrophobicContact CD2-CD 3.92Å; L392-K397 CarbonylContact O-C 3.45Å; L392-K397 WeakPolarHBondContact O-CA 3.18Å; L392-K397 PolarHBondContact O-N 3.32Å; L392-N400 HydrophobicContact CD1-CB 4.09Å; L392-A401 HydrophobicContact CB-CB 4Å; L392-Y404 HydrophobicContact CD1-CD2 3.37Å; L392-Y404 HydrophobicContact CD1-CE2 3.38Å; L392-Y404 HydrophobicContact CD1-CG 4.44Å
393E90.1Very high91Very high57 Ų5757 Ų5727%0.26628%0.284SS..Hα-helixtrans-70.4-42.3165.8-67.8-176.2-159.500111.4G389 G390 E395 E396 F398 A401 Y405 L425G389-E393 PolarHBondContact O-N 3.31Å; G390-E393 WeakPolarHBondContact O-CB 3.25Å; G390-E393 PolarHBondContact O-N 3.17Å; E393-E395 VanDerWaalsContact C-N 3.28Å; E393-E395 PolarHBondContact O-N 3Å; E393-E396 WeakPolarHBondContact O-CA 3.26Å; E393-E396 PolarHBondContact O-N 3.1Å; E393-F398 HydrophobicContact CB-CE1 4.47Å; E393-F398 HydrophobicContact CG-CD1 4.44Å; E393-A401 HydrophobicContact CG-CB 3.94Å; E393-Y405 WeakPolarHBondContact OE1-CE2 3.15Å; E393-Y405 VanDerWaalsContact OE1-CZ 3.27Å; E393-Y405 PolarHBondContact OE1-OH 3.12Å; E393-L425 HydrophobicContact CG-CD1 3.87Å
394E88.6Confident91.2Very high168 Ų16856.6 Ų56.679%0.78528%0.28SS*.Hα-helixtrans-63.7-32.8173.7-65.1177.7169.800112G390 Q391 E396G390-E394 PolarHBondContact O-N 3.04Å; Q391-E394 PolarHBondContact O-N 3.4Å; E394-E396 PolarHBondContact O-N 2.92Å
395E90.8Very high91.3Very high75 Ų7556.6 Ų56.635%0.3528%0.28SS..THydrogen-bonded Turntrans-77.36.3170.4-66.4177.2-133.300113.9R388 Q391 E393 K397R388-E395 IonicContact CZ-OE1 2.75Å; R388-E395 IonicContact NH1-OE1 2.65Å; R388-E395 PolarHBondContact NH1-OE1 3.05Å; R388-E395 IonicContact NH2-OE1 3.78Å; R388-E395 PolarHBondContact NH2-OE1 3.47Å; Q391-E395 VanDerWaalsContact O-CG 3.3Å; Q391-E395 WeakPolarHBondContact O-CG 3.5Å; Q391-E395 PolarHBondContact O-N 2.76Å; E393-E395 VanDerWaalsContact C-N 3.28Å; E393-E395 PolarHBondContact O-N 3Å; E395-K397 HydrophobicContact CB-CD 3.88Å; E395-K397 HydrophobicContact CB-CG 4.31Å; E395-K397 WeakPolarHBondContact O-CG 3.32Å; E395-K397 PolarHBondContact O-N 3.43Å; E395-K397 VanDerWaalsContact O-N 3.16Å; E395-K397 WeakPolarHBondContact OE2-CD 3.43Å; E395-K397 WeakPolarHBondContact OE2-CE 3.16Å; E395-K397 IonicContact OE2-NZ 3.35Å; E395-K397 PolarHBondContact OE2-NZ 2.99Å
396E86.6Confident91.2Very high140 Ų14061.6 Ų61.665%0.65430%0.301SS*.THydrogen-bonded Turntrans55.716.8-172.6-61.8-163.1150.200115.9L392 E393 E394 F398L392-E396 PolarHBondContact O-N 3.16Å; E393-E396 WeakPolarHBondContact O-CA 3.26Å; E393-E396 PolarHBondContact O-N 3.1Å; E394-E396 PolarHBondContact O-N 2.92Å; E396-F398 VanDerWaalsContact C-N 3.29Å; E396-F398 HydrophobicContact CB-CE2 4Å; E396-F398 HydrophobicContact CB-CZ 4Å; E396-F398 HydrophobicContact CG-CE2 4.49Å; E396-F398 HydrophobicContact CG-CZ 4.16Å; E396-F398 VanDerWaalsContact O-CD2 3.25Å; E396-F398 WeakPolarHBondContact O-CD2 3.33Å; E396-F398 WeakPolarHBondContact O-CE2 3.31Å; E396-F398 PolarHBondContact O-N 3.21Å; E396-F398 VanDerWaalsContact O-N 3.13Å
397K91.7Very high91.2Very high98 Ų9864.6 Ų64.643%0.42631%0.312SS..  trans-91.552.9-175.7-70.4162.9-164.7171.40112L392 E395 L399 N400 A401L392-K397 HydrophobicContact CB-CB 4.45Å; L392-K397 HydrophobicContact CD2-CB 4.07Å; L392-K397 HydrophobicContact CD2-CD 3.92Å; L392-K397 CarbonylContact O-C 3.45Å; L392-K397 WeakPolarHBondContact O-CA 3.18Å; L392-K397 PolarHBondContact O-N 3.32Å; E395-K397 HydrophobicContact CB-CD 3.88Å; E395-K397 HydrophobicContact CB-CG 4.31Å; E395-K397 WeakPolarHBondContact O-CG 3.32Å; E395-K397 PolarHBondContact O-N 3.43Å; E395-K397 VanDerWaalsContact O-N 3.16Å; E395-K397 WeakPolarHBondContact OE2-CD 3.43Å; E395-K397 WeakPolarHBondContact OE2-CE 3.16Å; E395-K397 IonicContact OE2-NZ 3.35Å; E395-K397 PolarHBondContact OE2-NZ 2.99Å; K397-L399 VanDerWaalsContact C-N 3.3Å; K397-L399 PolarHBondContact O-N 2.92Å; K397-L399 VanDerWaalsContact O-N 3.12Å; K397-N400 HydrophobicContact CB-CB 4.36Å; K397-N400 WeakPolarHBondContact O-CB 3.22Å; K397-N400 PolarHBondContact O-N 3.19Å; K397-A401 PolarHBondContact O-N 3.28Å; K397-A401 VanDerWaalsContact O-N 3.11Å
398F87.9Confident91.3Very high42 Ų4260 Ų6018%0.18429%0.291CS..Hα-helixtrans-51.2-39.2-171.5-52.9-61000114.9E393 E396 N400 A401 E402 L425 Y428 M429E393-F398 HydrophobicContact CB-CE1 4.47Å; E393-F398 HydrophobicContact CG-CD1 4.44Å; E396-F398 VanDerWaalsContact C-N 3.29Å; E396-F398 HydrophobicContact CB-CE2 4Å; E396-F398 HydrophobicContact CB-CZ 4Å; E396-F398 HydrophobicContact CG-CE2 4.49Å; E396-F398 HydrophobicContact CG-CZ 4.16Å; E396-F398 VanDerWaalsContact O-CD2 3.25Å; E396-F398 WeakPolarHBondContact O-CD2 3.33Å; E396-F398 WeakPolarHBondContact O-CE2 3.31Å; E396-F398 PolarHBondContact O-N 3.21Å; E396-F398 VanDerWaalsContact O-N 3.13Å; F398-N400 VanDerWaalsContact C-N 3.34Å; F398-N400 PolarHBondContact O-N 2.83Å; F398-A401 PolarHBondContact O-N 2.91Å; F398-E402 PolarHBondContact O-N 2.61Å; F398-L425 HydrophobicContact CB-CD1 3.91Å; F398-L425 HydrophobicContact CD1-CD1 3.64Å; F398-L425 HydrophobicContact CG-CD1 4.2Å; F398-Y428 HydrophobicContact CE1-CD1 4.13Å; F398-Y428 AromaticContact CE1-CE1 3.84Å; F398-Y428 HydrophobicContact CE1-CE1 3.84Å; F398-Y428 AromaticContact CE2-CE1 3.98Å; F398-Y428 HydrophobicContact CE2-CE1 3.98Å; F398-Y428 HydrophobicContact CZ-CD1 4.21Å; F398-Y428 AromaticContact CZ-CE1 3.51Å; F398-Y428 HydrophobicContact CZ-CE1 3.51Å; F398-M429 HydrophobicContact CB-CG 4.17Å; F398-M429 HydrophobicContact CB-SD 3.81Å
399L88.1Confident91.2Very high131 Ų13160.2 Ų60.269%0.68629%0.294SS*.Hα-helixtrans-64-36.4176.9-63.8176.7000113K397 S403K397-L399 VanDerWaalsContact C-N 3.3Å; K397-L399 PolarHBondContact O-N 2.92Å; K397-L399 VanDerWaalsContact O-N 3.12Å; L399-S403 PolarHBondContact O-N 3.43Å
400N91.7Very high91.2Very high87 Ų8764.3 Ų64.347%0.46533%0.328SS..Hα-helixtrans-72.7-45.3176.7-66.4-2.4000109.5L392 K397 F398 E402 S403 Y404L392-N400 HydrophobicContact CD1-CB 4.09Å; K397-N400 HydrophobicContact CB-CB 4.36Å; K397-N400 WeakPolarHBondContact O-CB 3.22Å; K397-N400 PolarHBondContact O-N 3.19Å; F398-N400 VanDerWaalsContact C-N 3.34Å; F398-N400 PolarHBondContact O-N 2.83Å; N400-E402 VanDerWaalsContact C-N 3.29Å; N400-E402 PolarHBondContact O-N 2.76Å; N400-S403 WeakPolarHBondContact O-CB 3.39Å; N400-S403 PolarHBondContact O-N 3.36Å; N400-S403 PolarHBondContact O-OG 3Å; N400-Y404 WeakPolarHBondContact O-CD2 3.42Å; N400-Y404 PolarHBondContact O-N 3.04Å; N400-Y404 VanDerWaalsContact O-N 3.11Å
401A91.8Very high91Very high0 Ų065.7 Ų65.70%033%0.33CS..Hα-helixtrans-54.4-44.8175.400000111.9G389 L392 E393 K397 F398 S403 Y404 Y405 L425G389-A401 WeakPolarHBondContact O-CB 3.43Å; L392-A401 HydrophobicContact CB-CB 4Å; E393-A401 HydrophobicContact CG-CB 3.94Å; K397-A401 PolarHBondContact O-N 3.28Å; K397-A401 VanDerWaalsContact O-N 3.11Å; F398-A401 PolarHBondContact O-N 2.91Å; A401-S403 VanDerWaalsContact C-N 3.28Å; A401-S403 PolarHBondContact O-N 2.76Å; A401-Y404 PolarHBondContact O-N 2.74Å; A401-Y404 VanDerWaalsContact O-N 3.09Å; A401-Y405 HydrophobicContact CB-CE2 4.26Å; A401-Y405 WeakPolarHBondContact O-CD2 3.36Å; A401-Y405 PolarHBondContact O-N 3.28Å; A401-L425 HydrophobicContact CB-CD2 4.36Å
402E92.4Very high90.8Very high30 Ų3064.6 Ų64.614%0.1433%0.325CS..Hα-helixtrans-57.7-38.9175.6-157.6-166.9-179.900112.7F398 N400 K406 L425 H426F398-E402 PolarHBondContact O-N 2.61Å; N400-E402 VanDerWaalsContact C-N 3.29Å; N400-E402 PolarHBondContact O-N 2.76Å; E402-K406 HydrophobicContact CG-CD 4.35Å; E402-K406 WeakPolarHBondContact O-CB 3.42Å; E402-K406 VanDerWaalsContact O-CG 3.29Å; E402-K406 WeakPolarHBondContact O-CG 3.39Å; E402-K406 PolarHBondContact O-N 3.43Å; E402-K406 WeakPolarHBondContact OE1-CE 3.49Å; E402-K406 IonicContact OE1-NZ 2.68Å; E402-K406 PolarHBondContact OE1-NZ 3.02Å; E402-K406 IonicContact OE2-NZ 3.49Å; E402-K406 PolarHBondContact OE2-NZ 2.97Å; E402-L425 HydrophobicContact CB-CD2 3.66Å; E402-L425 HydrophobicContact CG-CD2 4.03Å; E402-H426 IonicContact OE1-CD2 2.99Å; E402-H426 IonicContact OE1-CE1 3.1Å; E402-H426 IonicContact OE1-NE2 3.35Å; E402-H426 PolarHBondContact OE1-NE2 2.89Å
403S93.8Very high90.6Very high57 Ų5772.2 Ų72.240%0.39936%0.361SS..Hα-helixtrans-67.7-35.8177.179.70000112.6L399 N400 A401 K407L399-S403 PolarHBondContact O-N 3.43Å; N400-S403 WeakPolarHBondContact O-CB 3.39Å; N400-S403 PolarHBondContact O-N 3.36Å; N400-S403 PolarHBondContact O-OG 3Å; A401-S403 VanDerWaalsContact C-N 3.28Å; A401-S403 PolarHBondContact O-N 2.76Å; S403-K407 PolarHBondContact O-N 3.15Å
404Y93.4Very high90.5Very high58 Ų5874.9 Ų74.923%0.22738%0.381CS..Hα-helixtrans-69.9-40.6176-78.9-76.3000112.1I361 L385 L392 N400 A401 K407 A408I361-Y404 HydrophobicContact CD1-CE1 4.18Å; L385-Y404 HydrophobicContact CD2-CD1 3.59Å; L385-Y404 HydrophobicContact CD2-CE1 4.07Å; L392-Y404 HydrophobicContact CD1-CD2 3.37Å; L392-Y404 HydrophobicContact CD1-CE2 3.38Å; L392-Y404 HydrophobicContact CD1-CG 4.44Å; N400-Y404 WeakPolarHBondContact O-CD2 3.42Å; N400-Y404 PolarHBondContact O-N 3.04Å; N400-Y404 VanDerWaalsContact O-N 3.11Å; A401-Y404 PolarHBondContact O-N 2.74Å; A401-Y404 VanDerWaalsContact O-N 3.09Å; Y404-K407 WeakPolarHBondContact O-CB 3.29Å; Y404-K407 PolarHBondContact O-N 3.04Å; Y404-A408 PolarHBondContact O-N 3.11Å
405Y93.9Very high90.6Very high6 Ų668.5 Ų68.52%0.02435%0.351CS..Hα-helixtrans-66.6-40.6173.7-56.8-39.8000112.5V386 G389 G390 E393 A401 K407 A408 L409 A421 L422 L425V386-Y405 HydrophobicContact CB-CD1 4.49Å; V386-Y405 HydrophobicContact CB-CE1 4.37Å; V386-Y405 HydrophobicContact CG1-CE1 4.14Å; V386-Y405 HydrophobicContact CG2-CD1 4.05Å; V386-Y405 HydrophobicContact CG2-CE1 4.39Å; G389-Y405 VanDerWaalsContact C-OH 3.3Å; G390-Y405 PolarHBondContact N-OH 2.86Å; E393-Y405 WeakPolarHBondContact OE1-CE2 3.15Å; E393-Y405 VanDerWaalsContact OE1-CZ 3.27Å; E393-Y405 PolarHBondContact OE1-OH 3.12Å; A401-Y405 HydrophobicContact CB-CE2 4.26Å; A401-Y405 WeakPolarHBondContact O-CD2 3.36Å; A401-Y405 PolarHBondContact O-N 3.28Å; Y405-K407 VanDerWaalsContact C-N 3.34Å; Y405-K407 PolarHBondContact O-N 3.37Å; Y405-A408 PolarHBondContact O-N 3.24Å; Y405-A408 VanDerWaalsContact O-N 3.17Å; Y405-L409 WeakPolarHBondContact O-CG 3.35Å; Y405-L409 PolarHBondContact O-N 2.67Å; Y405-A421 HydrophobicContact CD1-CB 4.12Å; Y405-A421 HydrophobicContact CD2-CB 4.34Å; Y405-A421 HydrophobicContact CE1-CB 3.71Å; Y405-A421 HydrophobicContact CE2-CB 3.95Å; Y405-A421 HydrophobicContact CG-CB 4.41Å; Y405-L422 HydrophobicContact CD2-CB 4.23Å; Y405-L422 HydrophobicContact CG-CB 4.49Å; Y405-L425 HydrophobicContact CD2-CD2 4Å; Y405-L425 HydrophobicContact CE2-CB 4.4Å; Y405-L425 HydrophobicContact CE2-CD2 3.96Å
406K93.6Very high90.5Very high104 Ų10472.2 Ų72.245%0.45237%0.366SS..Hα-helixtrans-62.4-39.2173.9-73.9173.1-177.6168.40112E402 A410 L422E402-K406 HydrophobicContact CG-CD 4.35Å; E402-K406 WeakPolarHBondContact O-CB 3.42Å; E402-K406 VanDerWaalsContact O-CG 3.29Å; E402-K406 WeakPolarHBondContact O-CG 3.39Å; E402-K406 PolarHBondContact O-N 3.43Å; E402-K406 WeakPolarHBondContact OE1-CE 3.49Å; E402-K406 IonicContact OE1-NZ 2.68Å; E402-K406 PolarHBondContact OE1-NZ 3.02Å; E402-K406 IonicContact OE2-NZ 3.49Å; E402-K406 PolarHBondContact OE2-NZ 2.97Å; K406-A410 WeakPolarHBondContact O-CB 3.4Å; K406-A410 PolarHBondContact O-N 2.84Å; K406-L422 HydrophobicContact CG-CD1 3.91Å
407K92.8Very high90.6Very high90 Ų9070.3 Ų70.339%0.39136%0.36SS..Hα-helixtrans-58.7-46.8169.8-84.5-172.3160.8-1540111.9E365 L385 S403 Y404 Y405 L409 A410 L411E365-K407 IonicContact OE1-NZ 3.76Å; E365-K407 PolarHBondContact OE1-NZ 2.87Å; L385-K407 HydrophobicContact CD1-CB 4.01Å; L385-K407 HydrophobicContact CD2-CB 4.47Å; L385-K407 HydrophobicContact CD2-CD 4.21Å; S403-K407 PolarHBondContact O-N 3.15Å; Y404-K407 WeakPolarHBondContact O-CB 3.29Å; Y404-K407 PolarHBondContact O-N 3.04Å; Y405-K407 VanDerWaalsContact C-N 3.34Å; Y405-K407 PolarHBondContact O-N 3.37Å; K407-L409 PolarHBondContact O-N 2.83Å; K407-A410 PolarHBondContact O-N 3.36Å; K407-L411 WeakPolarHBondContact O-CG 3.4Å; K407-L411 PolarHBondContact O-N 3.2Å; K407-L411 VanDerWaalsContact O-N 3.16Å
408A92.5Very high90.5Very high0 Ų065.6 Ų65.60%034%0.34CS..Hα-helixtrans-61.9-41.3-17900000112.5C382 L385 V386 Y404 Y405 L411 D412 A418C382-A408 PolarHBondContact SG-O 2.82Å; C382-A408 VanDerWaalsContact SG-O 3.41Å; L385-A408 HydrophobicContact CB-CB 4.05Å; L385-A408 HydrophobicContact CD1-CB 4.22Å; V386-A408 HydrophobicContact CG2-CB 4.11Å; Y404-A408 PolarHBondContact O-N 3.11Å; Y405-A408 PolarHBondContact O-N 3.24Å; Y405-A408 VanDerWaalsContact O-N 3.17Å; A408-L411 PolarHBondContact O-N 2.69Å; A408-D412 PolarHBondContact O-N 3.15Å; A408-A418 HydrophobicContact CB-CB 4Å
409L91.3Very high90.7Very high37 Ų3767.8 Ų67.819%0.19435%0.35CS..Hα-helixtrans-70.7-34.9176.1-66.1173000112.9Y405 K407 L411 D412 E413 A418 E419 L422Y405-L409 WeakPolarHBondContact O-CG 3.35Å; Y405-L409 PolarHBondContact O-N 2.67Å; K407-L409 PolarHBondContact O-N 2.83Å; L409-L411 PolarHBondContact O-N 2.9Å; L409-D412 CarbonylContact O-C 3.24Å; L409-D412 VanDerWaalsContact O-C 3.26Å; L409-D412 PolarHBondContact O-N 3.2Å; L409-E413 WeakPolarHBondContact O-CA 3.37Å; L409-E413 PolarHBondContact O-N 3.24Å; L409-E413 VanDerWaalsContact O-N 3.1Å; L409-A418 HydrophobicContact CD2-CB 3.77Å; L409-A418 HydrophobicContact CG-CB 3.87Å; L409-E419 HydrophobicContact CD1-CG 4.36Å; L409-E419 HydrophobicContact CD2-CG 3.53Å; L409-L422 HydrophobicContact CD1-CD1 3.98Å
410A91.7Very high90.9Very high87 Ų8765.3 Ų65.372%0.71934%0.338SS*.Hα-helixtrans-68-20.7174.300000113.4K406 K407K406-A410 WeakPolarHBondContact O-CB 3.4Å; K406-A410 PolarHBondContact O-N 2.84Å; K407-A410 PolarHBondContact O-N 3.36Å
411L87.3Confident90.9Very high53 Ų5361.7 Ų61.728%0.27732%0.32SS..Hα-helixtrans-87.5-40.3173.3-71.3164.4000112L368 R378 L381 C382 L385 K407 A408 L409L368-L411 HydrophobicContact CD1-CD2 4.4Å; R378-L411 WeakPolarHBondContact CD-O 2.87Å; R378-L411 HydrophobicContact CG-CB 4.26Å; R378-L411 PolarHBondContact NE-O 3.02Å; R378-L411 PolarHBondContact NH1-O 2.79Å; L381-L411 HydrophobicContact CD2-CD1 3.52Å; L381-L411 HydrophobicContact CD2-CD2 4.43Å; L381-L411 HydrophobicContact CG-CD1 3.72Å; C382-L411 VanDerWaalsContact SG-CB 3.59Å; L385-L411 HydrophobicContact CD1-CD1 3.52Å; K407-L411 WeakPolarHBondContact O-CG 3.4Å; K407-L411 PolarHBondContact O-N 3.2Å; K407-L411 VanDerWaalsContact O-N 3.16Å; A408-L411 PolarHBondContact O-N 2.69Å; L409-L411 PolarHBondContact O-N 2.9Å
412D86.8Confident90.9Very high29 Ų2962.9 Ų62.916%0.15533%0.327CS..  trans-144.696.5176.8-159.5-32.5000111.1R378 A408 L409 T414 F415R378-D412 IonicContact CZ-OD2 2.67Å; R378-D412 IonicContact NE-OD2 2.74Å; R378-D412 PolarHBondContact NE-OD2 3.47Å; R378-D412 IonicContact NH2-OD1 4Å; R378-D412 PolarHBondContact NH2-OD1 3.45Å; R378-D412 IonicContact NH2-OD2 3.5Å; R378-D412 PolarHBondContact NH2-OD2 3.09Å; A408-D412 PolarHBondContact O-N 3.15Å; L409-D412 CarbonylContact O-C 3.24Å; L409-D412 VanDerWaalsContact O-C 3.26Å; L409-D412 PolarHBondContact O-N 3.2Å; D412-T414 PolarHBondContact O-N 3.12Å; D412-T414 PolarHBondContact OD1-N 2.88Å; D412-T414 VanDerWaalsContact OD1-N 3.16Å; D412-T414 PolarHBondContact OD1-OG1 2.99Å; D412-F415 HydrophobicContact CB-CB 4.19Å; D412-F415 VanDerWaalsContact O-CB 3.26Å; D412-F415 WeakPolarHBondContact O-CB 3.48Å; D412-F415 PolarHBondContact O-N 2.82Å
413E87.1Confident90.9Very high168 Ų16865.8 Ų65.879%0.78534%0.34SS*.THydrogen-bonded Turntrans-59.3-17179.6-60.9179.4157.300112.9L409L409-E413 WeakPolarHBondContact O-CA 3.37Å; L409-E413 PolarHBondContact O-N 3.24Å; L409-E413 VanDerWaalsContact O-N 3.1Å
414T87.4Confident90.9Very high112 Ų11268.5 Ų68.569%0.68735%0.345SS*.THydrogen-bonded Turntrans-89.60.3179.472.20000113.6D412 K416D412-T414 PolarHBondContact O-N 3.12Å; D412-T414 PolarHBondContact OD1-N 2.88Å; D412-T414 VanDerWaalsContact OD1-N 3.16Å; D412-T414 PolarHBondContact OD1-OG1 2.99Å; T414-K416 PolarHBondContact O-N 2.98Å
415F90.1Very high90.8Very high35 Ų3565.8 Ų65.815%0.15433%0.334CS..  trans-8377.8-171.1-164.7-111.2000113.3C382 Q383 V386 D412 D417 A418C382-F415 HydrophobicContact CB-CD1 4.06Å; C382-F415 HydrophobicContact CB-CE1 4.28Å; C382-F415 HydrophobicContact CB-CG 4.22Å; Q383-F415 HydrophobicContact CG-CE2 4.25Å; Q383-F415 HydrophobicContact CG-CZ 3.87Å; V386-F415 HydrophobicContact CB-CE1 4.47Å; V386-F415 HydrophobicContact CG2-CD1 4.28Å; V386-F415 HydrophobicContact CG2-CE1 3.8Å; D412-F415 HydrophobicContact CB-CB 4.19Å; D412-F415 VanDerWaalsContact O-CB 3.26Å; D412-F415 WeakPolarHBondContact O-CB 3.48Å; D412-F415 PolarHBondContact O-N 2.82Å; F415-D417 HydrophobicContact CD1-CB 4.46Å; F415-D417 HydrophobicContact CE1-CB 3.85Å; F415-D417 HydrophobicContact CZ-CB 3.93Å; F415-D417 PolarHBondContact O-N 3.41Å; F415-A418 HydrophobicContact CD1-CB 3.83Å; F415-A418 HydrophobicContact CE1-CB 4.47Å; F415-A418 PolarHBondContact O-N 2.99Å
416K89.1Confident90.7Very high152 Ų15269.2 Ų69.266%0.66135%0.35SS*.Hα-helixtrans-43.4-41.7-177.6-62.3-175.3179.6-1760114.8T414 A418 E419 D420T414-K416 PolarHBondContact O-N 2.98Å; K416-A418 PolarHBondContact O-N 3.49Å; K416-E419 WeakPolarHBondContact O-CB 3.35Å; K416-E419 PolarHBondContact O-N 2.99Å; K416-D420 WeakPolarHBondContact O-CB 3.46Å; K416-D420 PolarHBondContact O-N 3.38Å
417D88.4Confident90.6Very high100 Ų10070.2 Ų70.254%0.53535%0.354SS..Hα-helixtrans-59.6-32.8-176.7-59.7-21000112.2F415 A421F415-D417 HydrophobicContact CD1-CB 4.46Å; F415-D417 HydrophobicContact CE1-CB 3.85Å; F415-D417 HydrophobicContact CZ-CB 3.93Å; F415-D417 PolarHBondContact O-N 3.41Å; D417-A421 VanDerWaalsContact O-CB 3.31Å; D417-A421 WeakPolarHBondContact O-CB 3.13Å; D417-A421 PolarHBondContact O-N 3.39Å; D417-A421 VanDerWaalsContact O-N 3.07Å
418A90.1Very high90.5Very high0 Ų071.7 Ų71.70%036%0.359CS..Hα-helixtrans-75.4-38.2173.500000112.9V386 A408 L409 F415 K416 D420 A421 L422V386-A418 HydrophobicContact CG2-CB 3.56Å; A408-A418 HydrophobicContact CB-CB 4Å; L409-A418 HydrophobicContact CD2-CB 3.77Å; L409-A418 HydrophobicContact CG-CB 3.87Å; F415-A418 HydrophobicContact CD1-CB 3.83Å; F415-A418 HydrophobicContact CE1-CB 4.47Å; F415-A418 PolarHBondContact O-N 2.99Å; K416-A418 PolarHBondContact O-N 3.49Å; A418-D420 VanDerWaalsContact C-N 3.32Å; A418-A421 PolarHBondContact O-N 3.28Å; A418-L422 VanDerWaalsContact O-CB 3.25Å; A418-L422 WeakPolarHBondContact O-CB 3.1Å; A418-L422 PolarHBondContact O-N 3.08Å
419E92.1Very high90.3Very high87 Ų8773.5 Ų73.541%0.40737%0.367SS..Hα-helixtrans-61-46174-57.2-171.7107.800110.5L409 K416 L422 Q423L409-E419 HydrophobicContact CD1-CG 4.36Å; L409-E419 HydrophobicContact CD2-CG 3.53Å; K416-E419 WeakPolarHBondContact O-CB 3.35Å; K416-E419 PolarHBondContact O-N 2.99Å; E419-L422 PolarHBondContact O-N 3.05Å; E419-Q423 WeakPolarHBondContact O-CB 3.48Å; E419-Q423 WeakPolarHBondContact O-CG 3.38Å; E419-Q423 PolarHBondContact O-N 3.26Å
420D92.3Very high90.3Very high79 Ų7977.4 Ų77.442%0.42239%0.385SS..Hα-helixtrans-65.2-40.9-178.5-129.341.5000111.1K416 A418 K424K416-D420 WeakPolarHBondContact O-CB 3.46Å; K416-D420 PolarHBondContact O-N 3.38Å; A418-D420 VanDerWaalsContact C-N 3.32Å; D420-K424 WeakPolarHBondContact O-CD 3.05Å; D420-K424 VanDerWaalsContact O-CE 3.22Å; D420-K424 WeakPolarHBondContact O-CE 3.24Å; D420-K424 WeakPolarHBondContact O-CG 3.49Å; D420-K424 PolarHBondContact O-N 3.45Å; D420-K424 VanDerWaalsContact O-N 3.11Å; D420-K424 WeakPolarHBondContact OD2-CE 3.36Å; D420-K424 IonicContact OD2-NZ 2.91Å; D420-K424 PolarHBondContact OD2-NZ 3.23Å
421A91.2Very high90.3Very high12 Ų1280.1 Ų80.110%0.09938%0.38CS..Hα-helixtrans-65.5-49.7173.700000111.9Y405 D417 A418 Q423 K424 L425Y405-A421 HydrophobicContact CD1-CB 4.12Å; Y405-A421 HydrophobicContact CD2-CB 4.34Å; Y405-A421 HydrophobicContact CE1-CB 3.71Å; Y405-A421 HydrophobicContact CE2-CB 3.95Å; Y405-A421 HydrophobicContact CG-CB 4.41Å; D417-A421 VanDerWaalsContact O-CB 3.31Å; D417-A421 WeakPolarHBondContact O-CB 3.13Å; D417-A421 PolarHBondContact O-N 3.39Å; D417-A421 VanDerWaalsContact O-N 3.07Å; A418-A421 PolarHBondContact O-N 3.28Å; A421-Q423 VanDerWaalsContact C-N 3.31Å; A421-Q423 PolarHBondContact O-N 3.07Å; A421-K424 WeakPolarHBondContact O-CB 3.41Å; A421-K424 PolarHBondContact O-N 2.65Å; A421-L425 WeakPolarHBondContact O-CB 3.47Å; A421-L425 PolarHBondContact O-N 3.12Å
422L92Very high90.3Very high25 Ų2578.9 Ų78.913%0.13138%0.376CS..Hα-helixtrans-59.9-40.6178.4-165.6161.8000111.5Y405 K406 L409 A418 E419 L425 H426Y405-L422 HydrophobicContact CD2-CB 4.23Å; Y405-L422 HydrophobicContact CG-CB 4.49Å; K406-L422 HydrophobicContact CG-CD1 3.91Å; L409-L422 HydrophobicContact CD1-CD1 3.98Å; A418-L422 VanDerWaalsContact O-CB 3.25Å; A418-L422 WeakPolarHBondContact O-CB 3.1Å; A418-L422 PolarHBondContact O-N 3.08Å; E419-L422 PolarHBondContact O-N 3.05Å; L422-L425 WeakPolarHBondContact O-CB 3.26Å; L422-L425 PolarHBondContact O-N 2.66Å; L422-H426 WeakPolarHBondContact O-CB 3.44Å; L422-H426 PolarHBondContact O-N 2.78Å
423Q92.6Very high90.4Very high90 Ų9082 Ų8242%0.42139%0.392SS..Hα-helixtrans-64-38.6173.4-77.9-171.748.900113.5E419 A421 K427E419-Q423 WeakPolarHBondContact O-CB 3.48Å; E419-Q423 WeakPolarHBondContact O-CG 3.38Å; E419-Q423 PolarHBondContact O-N 3.26Å; A421-Q423 VanDerWaalsContact C-N 3.31Å; A421-Q423 PolarHBondContact O-N 3.07Å; Q423-K427 WeakPolarHBondContact O-CB 3.11Å; Q423-K427 VanDerWaalsContact O-CD 3.28Å; Q423-K427 WeakPolarHBondContact O-CD 3.23Å; Q423-K427 WeakPolarHBondContact O-CG 3.22Å; Q423-K427 PolarHBondContact O-N 3.45Å; Q423-K427 VanDerWaalsContact O-N 3.11Å; Q423-K427 VanDerWaalsContact OE1-NZ 3.09Å
424K92.6Very high90.7Very high115 Ų11577.3 Ų77.350%0.537%0.37SS..Hα-helixtrans-65.8-46.7175.7-70.3155-159.7159.20110.1D420 A421 H426 K427 Y428D420-K424 WeakPolarHBondContact O-CD 3.05Å; D420-K424 VanDerWaalsContact O-CE 3.22Å; D420-K424 WeakPolarHBondContact O-CE 3.24Å; D420-K424 WeakPolarHBondContact O-CG 3.49Å; D420-K424 PolarHBondContact O-N 3.45Å; D420-K424 VanDerWaalsContact O-N 3.11Å; D420-K424 WeakPolarHBondContact OD2-CE 3.36Å; D420-K424 IonicContact OD2-NZ 2.91Å; D420-K424 PolarHBondContact OD2-NZ 3.23Å; A421-K424 WeakPolarHBondContact O-CB 3.41Å; A421-K424 PolarHBondContact O-N 2.65Å; K424-H426 PolarHBondContact O-N 3.28Å; K424-K427 PolarHBondContact O-N 2.97Å; K424-Y428 WeakPolarHBondContact O-CB 3.21Å; K424-Y428 PolarHBondContact O-N 3.24Å
425L91.6Very high90.7Very high0 Ų076.5 Ų76.50%036%0.361CS..Hα-helixtrans-56.3-49.1175.3-177.271.1000112E393 F398 A401 E402 Y405 A421 L422 Y428 M429E393-L425 HydrophobicContact CG-CD1 3.87Å; F398-L425 HydrophobicContact CB-CD1 3.91Å; F398-L425 HydrophobicContact CD1-CD1 3.64Å; F398-L425 HydrophobicContact CG-CD1 4.2Å; A401-L425 HydrophobicContact CB-CD2 4.36Å; E402-L425 HydrophobicContact CB-CD2 3.66Å; E402-L425 HydrophobicContact CG-CD2 4.03Å; Y405-L425 HydrophobicContact CD2-CD2 4Å; Y405-L425 HydrophobicContact CE2-CB 4.4Å; Y405-L425 HydrophobicContact CE2-CD2 3.96Å; A421-L425 WeakPolarHBondContact O-CB 3.47Å; A421-L425 PolarHBondContact O-N 3.12Å; L422-L425 WeakPolarHBondContact O-CB 3.26Å; L422-L425 PolarHBondContact O-N 2.66Å; L425-Y428 PolarHBondContact O-N 2.79Å; L425-M429 HydrophobicContact CD2-CE 4.46Å; L425-M429 HydrophobicContact CG-CE 4.2Å; L425-M429 WeakPolarHBondContact O-CG 3.29Å; L425-M429 PolarHBondContact O-N 2.88Å
426H91.8Very high90.6Very high79 Ų7982.9 Ų82.937%0.36638%0.384SS..Hα-helixtrans-61.1-46.4177.8-84.9-153.3000112.5E402 L422 K424 Y428 M429 Q430E402-H426 IonicContact OE1-CD2 2.99Å; E402-H426 IonicContact OE1-CE1 3.1Å; E402-H426 IonicContact OE1-NE2 3.35Å; E402-H426 PolarHBondContact OE1-NE2 2.89Å; L422-H426 WeakPolarHBondContact O-CB 3.44Å; L422-H426 PolarHBondContact O-N 2.78Å; K424-H426 PolarHBondContact O-N 3.28Å; H426-Y428 VanDerWaalsContact C-N 3.29Å; H426-Y428 PolarHBondContact O-N 3.13Å; H426-M429 PolarHBondContact O-N 3.1Å; H426-Q430 WeakPolarHBondContact O-CB 3.48Å; H426-Q430 PolarHBondContact O-N 3.36Å
427K92.6Very high90.7Very high124 Ų12481.2 Ų81.254%0.53938%0.379SS..Hα-helixtrans-61.4-37.2176.2-70.9162.1-169159.50111.6Q423 K424 K431Q423-K427 WeakPolarHBondContact O-CB 3.11Å; Q423-K427 VanDerWaalsContact O-CD 3.28Å; Q423-K427 WeakPolarHBondContact O-CD 3.23Å; Q423-K427 WeakPolarHBondContact O-CG 3.22Å; Q423-K427 PolarHBondContact O-N 3.45Å; Q423-K427 VanDerWaalsContact O-N 3.11Å; Q423-K427 VanDerWaalsContact OE1-NZ 3.09Å; K424-K427 PolarHBondContact O-N 2.97Å; K427-K431 VanDerWaalsContact O-CB 3.3Å; K427-K431 WeakPolarHBondContact O-CB 3.5Å; K427-K431 PolarHBondContact O-N 3.31Å
428Y90.2Very high90.7Very high122 Ų12280.9 Ų80.948%0.47837%0.373SS..Hα-helixtrans-68.2-49.3174.4-177.1-90.5000112.1F398 K424 L425 H426 Q430 K431 S432F398-Y428 HydrophobicContact CE1-CD1 4.13Å; F398-Y428 AromaticContact CE1-CE1 3.84Å; F398-Y428 HydrophobicContact CE1-CE1 3.84Å; F398-Y428 AromaticContact CE2-CE1 3.98Å; F398-Y428 HydrophobicContact CE2-CE1 3.98Å; F398-Y428 HydrophobicContact CZ-CD1 4.21Å; F398-Y428 AromaticContact CZ-CE1 3.51Å; F398-Y428 HydrophobicContact CZ-CE1 3.51Å; K424-Y428 WeakPolarHBondContact O-CB 3.21Å; K424-Y428 PolarHBondContact O-N 3.24Å; L425-Y428 PolarHBondContact O-N 2.79Å; H426-Y428 VanDerWaalsContact C-N 3.29Å; H426-Y428 PolarHBondContact O-N 3.13Å; Y428-Q430 PolarHBondContact O-N 3.04Å; Y428-K431 PolarHBondContact O-N 2.81Å; Y428-S432 PolarHBondContact O-N 3.4Å
429M88.6Confident90.7Very high37 Ų3786.5 Ų86.518%0.18240%0.399CS..Hα-helixtrans-58.8-48.7178.5-73.6-161.3-63.800111.5F398 L425 H426 K431 S432 L433F398-M429 HydrophobicContact CB-CG 4.17Å; F398-M429 HydrophobicContact CB-SD 3.81Å; L425-M429 HydrophobicContact CD2-CE 4.46Å; L425-M429 HydrophobicContact CG-CE 4.2Å; L425-M429 WeakPolarHBondContact O-CG 3.29Å; L425-M429 PolarHBondContact O-N 2.88Å; H426-M429 PolarHBondContact O-N 3.1Å; M429-K431 PolarHBondContact O-N 3.32Å; M429-S432 WeakPolarHBondContact O-CB 3.46Å; M429-S432 PolarHBondContact O-N 3.42Å; M429-S432 VanDerWaalsContact O-N 3.1Å; M429-S432 PolarHBondContact O-OG 3.06Å; M429-L433 WeakPolarHBondContact O-CG 3.44Å; M429-L433 PolarHBondContact O-N 2.79Å
430Q91.7Very high90.4Very high120 Ų12084.8 Ų84.856%0.56140%0.4SS*.Hα-helixtrans-56.8-48.6176.5-178.6-177.9-14.400111.6H426 Y428 S432 L433 E434H426-Q430 WeakPolarHBondContact O-CB 3.48Å; H426-Q430 PolarHBondContact O-N 3.36Å; Y428-Q430 PolarHBondContact O-N 3.04Å; Q430-S432 VanDerWaalsContact C-N 3.27Å; Q430-S432 PolarHBondContact O-N 2.92Å; Q430-L433 PolarHBondContact O-N 3.26Å; Q430-L433 VanDerWaalsContact O-N 3.16Å; Q430-E434 PolarHBondContact NE2-OE1 3.38Å; Q430-E434 PolarHBondContact O-N 3.1Å
431K91.5Very high90.3Very high143 Ų14385.4 Ų85.462%0.62240%0.4SS*.Hα-helixtrans-60.7-35.6177.2-173.6178.7179.6-177.30112.2K427 Y428 M429 L435K427-K431 VanDerWaalsContact O-CB 3.3Å; K427-K431 WeakPolarHBondContact O-CB 3.5Å; K427-K431 PolarHBondContact O-N 3.31Å; Y428-K431 PolarHBondContact O-N 2.81Å; M429-K431 PolarHBondContact O-N 3.32Å; K431-L435 HydrophobicContact CG-CD1 4.44Å; K431-L435 WeakPolarHBondContact O-CB 3.46Å; K431-L435 WeakPolarHBondContact O-CD1 3.22Å; K431-L435 VanDerWaalsContact O-CG 3.25Å; K431-L435 WeakPolarHBondContact O-CG 3.41Å; K431-L435 PolarHBondContact O-N 3.13Å; K431-L435 VanDerWaalsContact O-N 3.16Å
432S87.6Confident90.2Very high28 Ų2891.3 Ų91.320%0.19642%0.423CS..Hα-helixtrans-69.3-37.5175.884.50000112.7Y428 M429 Q430 L435 R436Y428-S432 PolarHBondContact O-N 3.4Å; M429-S432 WeakPolarHBondContact O-CB 3.46Å; M429-S432 PolarHBondContact O-N 3.42Å; M429-S432 VanDerWaalsContact O-N 3.1Å; M429-S432 PolarHBondContact O-OG 3.06Å; Q430-S432 VanDerWaalsContact C-N 3.27Å; Q430-S432 PolarHBondContact O-N 2.92Å; S432-L435 PolarHBondContact O-N 3.43Å; S432-R436 WeakPolarHBondContact O-CG 3.46Å; S432-R436 PolarHBondContact O-N 3.5Å
433L88.9Confident89.8Confident93 Ų9395.1 Ų95.149%0.48744%0.441SS..Hα-helixtrans-68.1-49.7177.1-70.2170.5000110.7M429 Q430 L435 R436 E437M429-L433 WeakPolarHBondContact O-CG 3.44Å; M429-L433 PolarHBondContact O-N 2.79Å; Q430-L433 PolarHBondContact O-N 3.26Å; Q430-L433 VanDerWaalsContact O-N 3.16Å; L433-L435 PolarHBondContact O-N 2.89Å; L433-R436 CarbonylContact O-C 3.51Å; L433-R436 WeakPolarHBondContact O-CA 3.46Å; L433-R436 WeakPolarHBondContact O-CB 3.42Å; L433-R436 PolarHBondContact O-N 3.38Å; L433-E437 WeakPolarHBondContact O-CG 3.48Å; L433-E437 PolarHBondContact O-N 2.98Å
434E91.5Very high89.4Confident70 Ų7096.9 Ų96.933%0.32745%0.449SS..Hα-helixtrans-54.7-37.5173.9-79.1-171.9-134.700112.7Q430 K438Q430-E434 PolarHBondContact NE2-OE1 3.38Å; Q430-E434 PolarHBondContact O-N 3.1Å; E434-K438 VanDerWaalsContact O-CB 3.27Å; E434-K438 WeakPolarHBondContact O-CB 3.19Å; E434-K438 WeakPolarHBondContact O-CD 3.45Å; E434-K438 WeakPolarHBondContact O-CG 3.41Å; E434-K438 PolarHBondContact O-N 2.98Å; E434-K438 IonicContact OE2-NZ 2.64Å; E434-K438 PolarHBondContact OE2-NZ 3.1Å
435L89.2Confident88.9Confident95 Ų9596.8 Ų96.850%0.49745%0.448SS..Hα-helixtrans-69.2-39.3176.4-76.9168.5000112.1K431 S432 L433 Q439K431-L435 HydrophobicContact CG-CD1 4.44Å; K431-L435 WeakPolarHBondContact O-CB 3.46Å; K431-L435 WeakPolarHBondContact O-CD1 3.22Å; K431-L435 VanDerWaalsContact O-CG 3.25Å; K431-L435 WeakPolarHBondContact O-CG 3.41Å; K431-L435 PolarHBondContact O-N 3.13Å; K431-L435 VanDerWaalsContact O-N 3.16Å; S432-L435 PolarHBondContact O-N 3.43Å; L433-L435 PolarHBondContact O-N 2.89Å; L435-Q439 VanDerWaalsContact O-CG 3.24Å; L435-Q439 WeakPolarHBondContact O-CG 3.47Å; L435-Q439 PolarHBondContact O-N 2.95Å
436R86.8Confident88.3Confident169 Ų169102.1 Ų102.164%0.63847%0.473SS*.Hα-helixtrans-67.4-42.3174.9-73.7173.7177.7172.11.9111.8S432 L433 Q439 A440S432-R436 WeakPolarHBondContact O-CG 3.46Å; S432-R436 PolarHBondContact O-N 3.5Å; L433-R436 CarbonylContact O-C 3.51Å; L433-R436 WeakPolarHBondContact O-CA 3.46Å; L433-R436 WeakPolarHBondContact O-CB 3.42Å; L433-R436 PolarHBondContact O-N 3.38Å; R436-Q439 WeakPolarHBondContact O-CB 3.32Å; R436-Q439 PolarHBondContact O-N 3.41Å; R436-Q439 VanDerWaalsContact O-N 3.15Å; R436-A440 WeakPolarHBondContact O-CB 3.4Å; R436-A440 PolarHBondContact O-N 3.1Å
437E90.6Very high87.5Confident117 Ų117103.4 Ų103.455%0.54748%0.478SS..Hα-helixtrans-60.6-48.6174.1-70.1170.2168.300111.1L433 Q439 A440 E441L433-E437 WeakPolarHBondContact O-CG 3.48Å; L433-E437 PolarHBondContact O-N 2.98Å; E437-Q439 PolarHBondContact O-N 3.22Å; E437-Q439 VanDerWaalsContact O-N 3.17Å; E437-A440 PolarHBondContact O-N 3.2Å; E437-A440 VanDerWaalsContact O-N 3.17Å; E437-E441 WeakPolarHBondContact O-CB 3.39Å; E437-E441 PolarHBondContact O-N 2.86Å
438K90.3Very high86.7Confident94 Ų94100.7 Ų100.741%0.40947%0.472SS..Hα-helixtrans-67-14.2176.6-67.5162.2-160.6169.70113.3E434 K442E434-K438 VanDerWaalsContact O-CB 3.27Å; E434-K438 WeakPolarHBondContact O-CB 3.19Å; E434-K438 WeakPolarHBondContact O-CD 3.45Å; E434-K438 WeakPolarHBondContact O-CG 3.41Å; E434-K438 PolarHBondContact O-N 2.98Å; E434-K438 IonicContact OE2-NZ 2.64Å; E434-K438 PolarHBondContact OE2-NZ 3.1Å; K438-K442 WeakPolarHBondContact O-CD 3.41Å; K438-K442 VanDerWaalsContact O-CE 3.27Å; K438-K442 WeakPolarHBondContact O-CE 3.22Å; K438-K442 WeakPolarHBondContact O-CG 3.35Å
439Q88.2Confident86.2Confident117 Ų117101.3 Ų101.355%0.54748%0.477SS..Hα-helixtrans-86.6-48.4168.2-76168.9-1.600111.2L435 R436 E437 E441 K442 E443L435-Q439 VanDerWaalsContact O-CG 3.24Å; L435-Q439 WeakPolarHBondContact O-CG 3.47Å; L435-Q439 PolarHBondContact O-N 2.95Å; R436-Q439 WeakPolarHBondContact O-CB 3.32Å; R436-Q439 PolarHBondContact O-N 3.41Å; R436-Q439 VanDerWaalsContact O-N 3.15Å; E437-Q439 PolarHBondContact O-N 3.22Å; E437-Q439 VanDerWaalsContact O-N 3.17Å; Q439-E441 PolarHBondContact O-N 2.73Å; Q439-K442 WeakPolarHBondContact O-CA 3.38Å; Q439-K442 WeakPolarHBondContact O-CB 3.39Å; Q439-K442 PolarHBondContact O-N 2.93Å; Q439-E443 PolarHBondContact O-N 2.63Å
440A87.2Confident85.2Confident51 Ų51106 Ų10642%0.42150%0.496SS..Hα-helixtrans-56.9-46.8176.800000111.6R436 E437 K442 E443 E444R436-A440 WeakPolarHBondContact O-CB 3.4Å; R436-A440 PolarHBondContact O-N 3.1Å; E437-A440 PolarHBondContact O-N 3.2Å; E437-A440 VanDerWaalsContact O-N 3.17Å; A440-K442 VanDerWaalsContact C-N 3.28Å; A440-K442 PolarHBondContact O-N 3.21Å; A440-E443 WeakPolarHBondContact O-CB 3.45Å; A440-E443 PolarHBondContact O-N 2.9Å; A440-E443 VanDerWaalsContact O-N 3.15Å; A440-E444 WeakPolarHBondContact O-CG 3.49Å; A440-E444 PolarHBondContact O-N 3.13Å
441E90.2Very high84.3Confident93 Ų93105.5 Ų105.544%0.43550%0.497SS..Hα-helixtrans-54.6-42.2172.2-83.3-168.4-149.700112.6E437 Q439 E444 K445E437-E441 WeakPolarHBondContact O-CB 3.39Å; E437-E441 PolarHBondContact O-N 2.86Å; Q439-E441 PolarHBondContact O-N 2.73Å; E441-E444 PolarHBondContact O-N 2.96Å; E441-K445 WeakPolarHBondContact O-CB 3.31Å; E441-K445 VanDerWaalsContact O-CD 3.31Å; E441-K445 WeakPolarHBondContact O-CD 3.22Å; E441-K445 WeakPolarHBondContact O-CG 3.32Å; E441-K445 PolarHBondContact O-N 3.1Å; E441-K445 IonicContact OE2-NZ 2.79Å; E441-K445 PolarHBondContact OE2-NZ 2.79Å
442K87.8Confident83.2Confident135 Ų135104.5 Ų104.559%0.58749%0.494SS*.Hα-helixtrans-69.9-37.6-179.7-73.9171.1-168.8168.80110.9K438 Q439 A440 Q446K438-K442 WeakPolarHBondContact O-CD 3.41Å; K438-K442 VanDerWaalsContact O-CE 3.27Å; K438-K442 WeakPolarHBondContact O-CE 3.22Å; K438-K442 WeakPolarHBondContact O-CG 3.35Å; Q439-K442 WeakPolarHBondContact O-CA 3.38Å; Q439-K442 WeakPolarHBondContact O-CB 3.39Å; Q439-K442 PolarHBondContact O-N 2.93Å; A440-K442 VanDerWaalsContact C-N 3.28Å; A440-K442 PolarHBondContact O-N 3.21Å; K442-Q446 VanDerWaalsContact O-CG 3.3Å; K442-Q446 WeakPolarHBondContact O-CG 3.5Å; K442-Q446 PolarHBondContact O-N 3.47Å
443E85.2Confident82.4Confident106 Ų106106.8 Ų106.850%0.49551%0.507SS..Hα-helixtrans-64.2-45.9171.4-75.5-164.3-164.700112Q439 A440 Q446 K447Q439-E443 PolarHBondContact O-N 2.63Å; A440-E443 WeakPolarHBondContact O-CB 3.45Å; A440-E443 PolarHBondContact O-N 2.9Å; A440-E443 VanDerWaalsContact O-N 3.15Å; E443-Q446 CarbonylContact O-C 3.22Å; E443-Q446 WeakPolarHBondContact O-CA 3.19Å; E443-Q446 WeakPolarHBondContact O-CB 3.43Å; E443-Q446 PolarHBondContact O-N 2.82Å; E443-Q446 VanDerWaalsContact O-N 3.09Å; E443-K447 WeakPolarHBondContact O-CB 3.34Å; E443-K447 VanDerWaalsContact O-CG 3.23Å; E443-K447 WeakPolarHBondContact O-CG 3.28Å; E443-K447 PolarHBondContact O-N 3.28Å; E443-K447 WeakPolarHBondContact OE2-CE 3.45Å; E443-K447 IonicContact OE2-NZ 2.66Å; E443-K447 PolarHBondContact OE2-NZ 3.48Å
444E83.9Confident81.4Confident127 Ų127105.1 Ų105.159%0.59350%0.503SS*.Hα-helixtrans-62.9-44.9177-71.2-163.4155.900111.5A440 E441 Q446 K447 T448A440-E444 WeakPolarHBondContact O-CG 3.49Å; A440-E444 PolarHBondContact O-N 3.13Å; E441-E444 PolarHBondContact O-N 2.96Å; E444-Q446 PolarHBondContact O-N 3.03Å; E444-Q446 VanDerWaalsContact O-N 3.14Å; E444-K447 CarbonylContact O-C 3.49Å; E444-K447 PolarHBondContact O-N 3.08Å; E444-T448 WeakPolarHBondContact O-CG2 3.34Å; E444-T448 PolarHBondContact O-N 3.25Å; E444-T448 PolarHBondContact O-OG1 3.49Å; E444-T448 VanDerWaalsContact O-OG1 3.13Å
445K82.3Confident80.3Confident113 Ų113103.6 Ų103.649%0.49150%0.502SS..Hα-helixtrans-64.8-14173.7-68.7163.3-173.4176.30113.3E441 K449E441-K445 WeakPolarHBondContact O-CB 3.31Å; E441-K445 VanDerWaalsContact O-CD 3.31Å; E441-K445 WeakPolarHBondContact O-CD 3.22Å; E441-K445 WeakPolarHBondContact O-CG 3.32Å; E441-K445 PolarHBondContact O-N 3.1Å; E441-K445 IonicContact OE2-NZ 2.79Å; E441-K445 PolarHBondContact OE2-NZ 2.79Å; K445-K449 VanDerWaalsContact O-CD 3.25Å; K445-K449 WeakPolarHBondContact O-CD 3.46Å; K445-K449 VanDerWaalsContact O-CG 3.26Å; K445-K449 WeakPolarHBondContact O-CG 3.45Å
446Q77.3Confident79.3Confident111 Ų111103.7 Ų103.752%0.51950%0.5SS..Hα-helixtrans-91.5-38166-74.7-178.737.700112.6K442 E443 E444 K449 K450K442-Q446 VanDerWaalsContact O-CG 3.3Å; K442-Q446 WeakPolarHBondContact O-CG 3.5Å; K442-Q446 PolarHBondContact O-N 3.47Å; E443-Q446 CarbonylContact O-C 3.22Å; E443-Q446 WeakPolarHBondContact O-CA 3.19Å; E443-Q446 WeakPolarHBondContact O-CB 3.43Å; E443-Q446 PolarHBondContact O-N 2.82Å; E443-Q446 VanDerWaalsContact O-N 3.09Å; E444-Q446 PolarHBondContact O-N 3.03Å; E444-Q446 VanDerWaalsContact O-N 3.14Å; Q446-K449 PolarHBondContact O-N 3.11Å; Q446-K450 WeakPolarHBondContact O-CB 3.43Å; Q446-K450 VanDerWaalsContact O-CG 3.28Å; Q446-K450 WeakPolarHBondContact O-CG 3.42Å; Q446-K450 PolarHBondContact O-N 2.79Å
447K76.6Confident78.4Confident106 Ų106102.3 Ų102.346%0.46150%0.499SS..Hα-helixtrans-63-46.2176.7-70.8159.5-170.5164.70110E443 E444 K450 I451E443-K447 WeakPolarHBondContact O-CB 3.34Å; E443-K447 VanDerWaalsContact O-CG 3.23Å; E443-K447 WeakPolarHBondContact O-CG 3.28Å; E443-K447 PolarHBondContact O-N 3.28Å; E443-K447 WeakPolarHBondContact OE2-CE 3.45Å; E443-K447 IonicContact OE2-NZ 2.66Å; E443-K447 PolarHBondContact OE2-NZ 3.48Å; E444-K447 CarbonylContact O-C 3.49Å; E444-K447 PolarHBondContact O-N 3.08Å; K447-K450 PolarHBondContact O-N 2.85Å; K447-I451 WeakPolarHBondContact O-CD1 3.31Å; K447-I451 VanDerWaalsContact O-CG1 3.26Å; K447-I451 WeakPolarHBondContact O-CG1 3.24Å; K447-I451 PolarHBondContact O-N 2.79Å
448T76.3Confident77.1Confident68 Ų68101.8 Ų101.842%0.41750%0.499SS..Hα-helixtrans-59.8-49.4174.555.40000111.8E444 K450 I451 E452E444-T448 WeakPolarHBondContact O-CG2 3.34Å; E444-T448 PolarHBondContact O-N 3.25Å; E444-T448 PolarHBondContact O-OG1 3.49Å; E444-T448 VanDerWaalsContact O-OG1 3.13Å; T448-K450 VanDerWaalsContact C-N 3.29Å; T448-K450 PolarHBondContact O-N 2.93Å; T448-I451 CarbonylContact O-C 3.57Å; T448-I451 WeakPolarHBondContact O-CA 3.4Å; T448-I451 WeakPolarHBondContact O-CB 3.44Å; T448-I451 PolarHBondContact O-N 2.77Å; T448-E452 WeakPolarHBondContact O-CG 3.27Å; T448-E452 PolarHBondContact O-N 3.26Å
449K77.8Confident76.1Confident135 Ų135106.4 Ų106.459%0.58751%0.514SS*.Hα-helixtrans-60.3-34.8176.5-69.9178.1-173.4-178.20113.3K445 Q446 T453K445-K449 VanDerWaalsContact O-CD 3.25Å; K445-K449 WeakPolarHBondContact O-CD 3.46Å; K445-K449 VanDerWaalsContact O-CG 3.26Å; K445-K449 WeakPolarHBondContact O-CG 3.45Å; Q446-K449 PolarHBondContact O-N 3.11Å; K449-T453 WeakPolarHBondContact O-CB 3.4Å; K449-T453 WeakPolarHBondContact O-CG2 3.41Å; K449-T453 PolarHBondContact O-N 3.28Å; K449-T453 PolarHBondContact O-OG1 3.2Å
450K69.4Low75.1Confident135 Ų135106 Ų10659%0.58751%0.51SS*.Hα-helixtrans-68.2-37.8172.2-74.1169.2-178.6173.10111.9Q446 K447 T448 T453 S454Q446-K450 WeakPolarHBondContact O-CB 3.43Å; Q446-K450 VanDerWaalsContact O-CG 3.28Å; Q446-K450 WeakPolarHBondContact O-CG 3.42Å; Q446-K450 PolarHBondContact O-N 2.79Å; K447-K450 PolarHBondContact O-N 2.85Å; T448-K450 VanDerWaalsContact C-N 3.29Å; T448-K450 PolarHBondContact O-N 2.93Å; K450-T453 PolarHBondContact O-OG1 3.08Å; K450-S454 WeakPolarHBondContact O-CB 3.4Å; K450-S454 PolarHBondContact O-N 3.42Å; K450-S454 VanDerWaalsContact O-N 3.08Å; K450-S454 PolarHBondContact O-OG 2.88Å
451I72.4Confident74.3Confident110 Ų110108.5 Ų108.556%0.56452%0.516SS*.Hα-helixtrans-69.4-45174.7-67.8161.5000111.2K447 T448 T453 S454 A455K447-I451 WeakPolarHBondContact O-CD1 3.31Å; K447-I451 VanDerWaalsContact O-CG1 3.26Å; K447-I451 WeakPolarHBondContact O-CG1 3.24Å; K447-I451 PolarHBondContact O-N 2.79Å; T448-I451 CarbonylContact O-C 3.57Å; T448-I451 WeakPolarHBondContact O-CA 3.4Å; T448-I451 WeakPolarHBondContact O-CB 3.44Å; T448-I451 PolarHBondContact O-N 2.77Å; I451-T453 PolarHBondContact O-N 3.11Å; I451-S454 PolarHBondContact O-N 3.46Å; I451-S454 PolarHBondContact O-OG 3.33Å; I451-A455 VanDerWaalsContact O-CB 3.29Å; I451-A455 WeakPolarHBondContact O-CB 3.46Å; I451-A455 PolarHBondContact O-N 3.11Å
452E67.6Low72.9Confident122 Ų122108.6 Ų108.657%0.5752%0.519SS*.Hα-helixtrans-59.8-47.8177-72.4170.6163.900111.4T448 S454 A455 E456T448-E452 WeakPolarHBondContact O-CG 3.27Å; T448-E452 PolarHBondContact O-N 3.26Å; E452-S454 VanDerWaalsContact C-N 3.34Å; E452-S454 PolarHBondContact O-N 3.33Å; E452-A455 PolarHBondContact O-N 3.22Å; E452-E456 WeakPolarHBondContact O-CB 3.41Å; E452-E456 PolarHBondContact O-N 3.1Å
453T70.3Confident71.8Confident76 Ų76109.3 Ų109.347%0.46652%0.522SS..Hα-helixtrans-69.4-27.6178.3520000113.2K449 K450 I451 K457K449-T453 WeakPolarHBondContact O-CB 3.4Å; K449-T453 WeakPolarHBondContact O-CG2 3.41Å; K449-T453 PolarHBondContact O-N 3.28Å; K449-T453 PolarHBondContact O-OG1 3.2Å; K450-T453 PolarHBondContact O-OG1 3.08Å; I451-T453 PolarHBondContact O-N 3.11Å; T453-K457 VanDerWaalsContact O-CG 3.28Å; T453-K457 WeakPolarHBondContact O-CG 3.14Å; T453-K457 PolarHBondContact O-N 2.97Å
454S68.4Low70.7Confident58 Ų58109.4 Ų109.441%0.40652%0.523SS..Hα-helixtrans-75-40.7171.276.40000111.9K450 I451 E452 E456 K457 L458K450-S454 WeakPolarHBondContact O-CB 3.4Å; K450-S454 PolarHBondContact O-N 3.42Å; K450-S454 VanDerWaalsContact O-N 3.08Å; K450-S454 PolarHBondContact O-OG 2.88Å; I451-S454 PolarHBondContact O-N 3.46Å; I451-S454 PolarHBondContact O-OG 3.33Å; E452-S454 VanDerWaalsContact C-N 3.34Å; E452-S454 PolarHBondContact O-N 3.33Å; S454-E456 VanDerWaalsContact C-N 3.34Å; S454-E456 PolarHBondContact O-N 2.86Å; S454-K457 WeakPolarHBondContact O-CB 3.39Å; S454-K457 PolarHBondContact O-N 2.84Å; S454-L458 WeakPolarHBondContact O-CG 3.19Å; S454-L458 PolarHBondContact O-N 3.07Å
455A68.9Low69.5Low38 Ų38107 Ų10731%0.31451%0.512SS..Hα-helixtrans-64.5-36173.900000112.2I451 E452 L458 R459I451-A455 VanDerWaalsContact O-CB 3.29Å; I451-A455 WeakPolarHBondContact O-CB 3.46Å; I451-A455 PolarHBondContact O-N 3.11Å; E452-A455 PolarHBondContact O-N 3.22Å; A455-L458 PolarHBondContact O-N 2.82Å; A455-R459 WeakPolarHBondContact O-CB 3.21Å; A455-R459 VanDerWaalsContact O-CG 3.26Å; A455-R459 WeakPolarHBondContact O-CG 3.44Å; A455-R459 PolarHBondContact O-N 2.98Å
456E67.3Low68.4Low96 Ų96109 Ų10945%0.44952%0.52SS..Hα-helixtrans-70.1-37.8175-151.4-136163.500111.9E452 S454 R459 K460E452-E456 WeakPolarHBondContact O-CB 3.41Å; E452-E456 PolarHBondContact O-N 3.1Å; S454-E456 VanDerWaalsContact C-N 3.34Å; S454-E456 PolarHBondContact O-N 2.86Å; E456-R459 PolarHBondContact O-N 2.85Å; E456-K460 WeakPolarHBondContact O-CG 3.26Å; E456-K460 PolarHBondContact O-N 2.87Å; E456-K460 WeakPolarHBondContact OE1-CE 3.45Å; E456-K460 IonicContact OE1-NZ 2.68Å; E456-K460 PolarHBondContact OE1-NZ 3.32Å; E456-K460 IonicContact OE2-NZ 3.39Å; E456-K460 PolarHBondContact OE2-NZ 2.86Å
457K69Low67.4Low140 Ų140112.1 Ų112.161%0.60953%0.527SS*.Hα-helixtrans-61.6-44.8169.9-76171.6179.7179.80111.7T453 S454 R459 K460 L461T453-K457 VanDerWaalsContact O-CG 3.28Å; T453-K457 WeakPolarHBondContact O-CG 3.14Å; T453-K457 PolarHBondContact O-N 2.97Å; S454-K457 WeakPolarHBondContact O-CB 3.39Å; S454-K457 PolarHBondContact O-N 2.84Å; K457-R459 PolarHBondContact O-N 3.35Å; K457-K460 WeakPolarHBondContact O-CB 3.03Å; K457-K460 PolarHBondContact O-N 2.98Å; K457-L461 WeakPolarHBondContact O-CG 3.29Å; K457-L461 PolarHBondContact O-N 2.7Å
458L62.3Low66.4Low107 Ų107112.2 Ų112.256%0.5653%0.533SS*.Hα-helixtrans-62.4-40.5174.3-73.3167.7000112.3S454 A455 K460 L461 L462S454-L458 WeakPolarHBondContact O-CG 3.19Å; S454-L458 PolarHBondContact O-N 3.07Å; A455-L458 PolarHBondContact O-N 2.82Å; L458-K460 VanDerWaalsContact C-N 3.35Å; L458-K460 PolarHBondContact O-N 3.24Å; L458-L461 PolarHBondContact O-N 3.36Å; L458-L462 WeakPolarHBondContact O-CB 3.41Å; L458-L462 PolarHBondContact O-N 3.07Å
459R69.8Low65.2Low190 Ų190115.7 Ų115.772%0.71754%0.542SS*.Hα-helixtrans-63.4-37.5173.3-75.4171.2178.3-170.70.6112.2A455 E456 K457 K463A455-R459 WeakPolarHBondContact O-CB 3.21Å; A455-R459 VanDerWaalsContact O-CG 3.26Å; A455-R459 WeakPolarHBondContact O-CG 3.44Å; A455-R459 PolarHBondContact O-N 2.98Å; E456-R459 PolarHBondContact O-N 2.85Å; K457-R459 PolarHBondContact O-N 3.35Å; R459-K463 VanDerWaalsContact O-CB 3.31Å; R459-K463 WeakPolarHBondContact O-CB 3.19Å; R459-K463 PolarHBondContact O-N 2.86Å; R459-K463 VanDerWaalsContact O-N 3.07Å
460K68.1Low63.9Low108 Ų108118.5 Ų118.547%0.4755%0.554SS.*Hα-helixtrans-65.2-49.7173.9-77.6164176.3160.70110.9E456 K457 L458 L462 K463 E464E456-K460 WeakPolarHBondContact O-CG 3.26Å; E456-K460 PolarHBondContact O-N 2.87Å; E456-K460 WeakPolarHBondContact OE1-CE 3.45Å; E456-K460 IonicContact OE1-NZ 2.68Å; E456-K460 PolarHBondContact OE1-NZ 3.32Å; E456-K460 IonicContact OE2-NZ 3.39Å; E456-K460 PolarHBondContact OE2-NZ 2.86Å; K457-K460 WeakPolarHBondContact O-CB 3.03Å; K457-K460 PolarHBondContact O-N 2.98Å; L458-K460 VanDerWaalsContact C-N 3.35Å; L458-K460 PolarHBondContact O-N 3.24Å; K460-L462 PolarHBondContact O-N 3.33Å; K460-K463 CarbonylContact O-C 3.6Å; K460-K463 WeakPolarHBondContact O-CA 3.41Å; K460-K463 WeakPolarHBondContact O-CB 3.17Å; K460-K463 PolarHBondContact O-N 3.14Å; K460-E464 PolarHBondContact O-N 2.66Å
461L68.9Low62.9Low105 Ų105120.6 Ų120.655%0.5556%0.563SS.*Hα-helixtrans-57.2-46.9175.4-71.3169.5000112.4K457 L458 K463 E464 E465K457-L461 WeakPolarHBondContact O-CG 3.29Å; K457-L461 PolarHBondContact O-N 2.7Å; L458-L461 PolarHBondContact O-N 3.36Å; L461-K463 VanDerWaalsContact C-N 3.26Å; L461-K463 PolarHBondContact O-N 2.71Å; L461-E464 PolarHBondContact O-N 2.97Å; L461-E465 WeakPolarHBondContact O-CB 3.28Å; L461-E465 PolarHBondContact O-N 3Å
462L61.3Low61.8Low95 Ų95125.5 Ų125.550%0.49758%0.575SS.*Hα-helixtrans-62.3-29.9174.7-83.5164.6000113.3L458 K460 K466L458-L462 WeakPolarHBondContact O-CB 3.41Å; L458-L462 PolarHBondContact O-N 3.07Å; K460-L462 PolarHBondContact O-N 3.33Å; L462-K466 WeakPolarHBondContact O-CB 3.37Å; L462-K466 VanDerWaalsContact O-CG 3.29Å; L462-K466 WeakPolarHBondContact O-CG 3.48Å; L462-K466 PolarHBondContact O-N 3.04Å
463K64.6Low60.5Low149 Ų149130.8 Ų130.865%0.64859%0.589SS**Hα-helixtrans-77.6-31.7176.9-160.6170.6-173.1176.20111.6R459 K460 L461 R467R459-K463 VanDerWaalsContact O-CB 3.31Å; R459-K463 WeakPolarHBondContact O-CB 3.19Å; R459-K463 PolarHBondContact O-N 2.86Å; R459-K463 VanDerWaalsContact O-N 3.07Å; K460-K463 CarbonylContact O-C 3.6Å; K460-K463 WeakPolarHBondContact O-CA 3.41Å; K460-K463 WeakPolarHBondContact O-CB 3.17Å; K460-K463 PolarHBondContact O-N 3.14Å; L461-K463 VanDerWaalsContact C-N 3.26Å; L461-K463 PolarHBondContact O-N 2.71Å; K463-R467 WeakPolarHBondContact O-CG 3.41Å; K463-R467 PolarHBondContact O-N 2.93Å; K463-R467 VanDerWaalsContact O-N 3.09Å
464E62.5Low59Low109 Ų109136.8 Ų136.851%0.50961%0.609SS.*Hα-helixtrans-73.6-40.8169.9-68.6-170132.400112.2K460 L461 K466 R467 L468K460-E464 PolarHBondContact O-N 2.66Å; L461-E464 PolarHBondContact O-N 2.97Å; E464-K466 VanDerWaalsContact C-N 3.33Å; E464-K466 PolarHBondContact O-N 3.02Å; E464-R467 CarbonylContact O-C 3.41Å; E464-R467 WeakPolarHBondContact O-CA 3.36Å; E464-R467 WeakPolarHBondContact O-CB 3.42Å; E464-R467 PolarHBondContact O-N 2.9Å; E464-L468 WeakPolarHBondContact O-CG 3.38Å; E464-L468 PolarHBondContact O-N 2.87Å
465E58.6Low57.6Low77 Ų77138.8 Ų138.836%0.3662%0.623SS.*Hα-helixtrans-62.2-41.1174.2-158.2-135.9141.400111.2L461 R467 L468 K469L461-E465 WeakPolarHBondContact O-CB 3.28Å; L461-E465 PolarHBondContact O-N 3Å; E465-R467 VanDerWaalsContact C-N 3.33Å; E465-R467 PolarHBondContact O-N 3.35Å; E465-L468 PolarHBondContact O-N 2.93Å; E465-K469 WeakPolarHBondContact O-CB 3.44Å; E465-K469 PolarHBondContact O-N 3.42Å; E465-K469 WeakPolarHBondContact OE1-CE 3.46Å; E465-K469 IonicContact OE1-NZ 3.5Å; E465-K469 PolarHBondContact OE1-NZ 2.93Å
466K59.8Low56Low153 Ų153143 Ų14367%0.66564%0.644SS**Hα-helixtrans-63.6-34169.8-76.9177.8179.3-177.30112.8L462 E464 K470L462-K466 WeakPolarHBondContact O-CB 3.37Å; L462-K466 VanDerWaalsContact O-CG 3.29Å; L462-K466 WeakPolarHBondContact O-CG 3.48Å; L462-K466 PolarHBondContact O-N 3.04Å; E464-K466 VanDerWaalsContact C-N 3.33Å; E464-K466 PolarHBondContact O-N 3.02Å; K466-K470 WeakPolarHBondContact O-CB 3.41Å; K466-K470 PolarHBondContact O-N 2.59Å
467R56.6Low54.3Low177 Ų177144.1 Ų144.167%0.66866%0.663SS**Hα-helixtrans-70.3-38.5172.3-81.5173.3159.6-179.4-6.9112.4K463 E464 E465 K470 K471K463-R467 WeakPolarHBondContact O-CG 3.41Å; K463-R467 PolarHBondContact O-N 2.93Å; K463-R467 VanDerWaalsContact O-N 3.09Å; E464-R467 CarbonylContact O-C 3.41Å; E464-R467 WeakPolarHBondContact O-CA 3.36Å; E464-R467 WeakPolarHBondContact O-CB 3.42Å; E464-R467 PolarHBondContact O-N 2.9Å; E465-R467 VanDerWaalsContact C-N 3.33Å; E465-R467 PolarHBondContact O-N 3.35Å; R467-K470 CarbonylContact O-C 3.48Å; R467-K470 PolarHBondContact O-N 2.86Å; R467-K471 PolarHBondContact O-N 2.8Å
468L54.1Low52.8Low109 Ų109142.1 Ų142.157%0.57167%0.667SS**Hα-helixtrans-66.7-43174.9-73.5163.6000111.1E464 E465 K470 K471 R472E464-L468 WeakPolarHBondContact O-CG 3.38Å; E464-L468 PolarHBondContact O-N 2.87Å; E465-L468 PolarHBondContact O-N 2.93Å; L468-K470 VanDerWaalsContact C-N 3.26Å; L468-K470 PolarHBondContact O-N 2.97Å; L468-K471 CarbonylContact O-C 3.26Å; L468-K471 PolarHBondContact O-N 2.87Å; L468-R472 WeakPolarHBondContact O-CG 3.45Å; L468-R472 PolarHBondContact O-N 2.98Å
469K51.2Low51.5Low140 Ų140141.9 Ų141.961%0.60967%0.674SS**Hα-helixtrans-59.6-34.2169.5-79.6171166.41660112.2E465E465-K469 WeakPolarHBondContact O-CB 3.44Å; E465-K469 PolarHBondContact O-N 3.42Å; E465-K469 WeakPolarHBondContact OE1-CE 3.46Å; E465-K469 IonicContact OE1-NZ 3.5Å; E465-K469 PolarHBondContact OE1-NZ 2.93Å
470K49.8Very low49.8Very low194 Ų194137.7 Ų137.784%0.84367%0.674SS**Hα-helixtrans-78.4-17.2172.8-140.4175.4-172.5-177.60114.4K466 R467 L468K466-K470 WeakPolarHBondContact O-CB 3.41Å; K466-K470 PolarHBondContact O-N 2.59Å; R467-K470 CarbonylContact O-C 3.48Å; R467-K470 PolarHBondContact O-N 2.86Å; L468-K470 VanDerWaalsContact C-N 3.26Å; L468-K470 PolarHBondContact O-N 2.97Å
471K49Very low48.1Very low180 Ų180137.1 Ų137.178%0.78368%0.683SS**Hα-helixtrans-93.6-7.5172.5-80.4-168.2171.5-171.10114.4R467 L468 R473R467-K471 PolarHBondContact O-N 2.8Å; L468-K471 CarbonylContact O-C 3.26Å; L468-K471 PolarHBondContact O-N 2.87Å; K471-R473 PolarHBondContact O-N 3.49Å
472R48.7Very low46.6Very low213 Ų213138.1 Ų138.180%0.80469%0.694SS**  trans-96.360.1175.9-73179.969.6175.81.6112.9L468L468-R472 WeakPolarHBondContact O-CG 3.45Å; L468-R472 PolarHBondContact O-N 2.98Å
473R42.3Very low45.2Very low232 Ų232137.9 Ų137.988%0.87570%0.7SS**  trans-141.8131.1162.1-76.5-163.1170.4-158.3-4109.7K471K471-R473 PolarHBondContact O-N 3.49Å
474K38.7Very low43.8Very low203 Ų203136.1 Ų136.188%0.88371%0.707SS**SBendtrans61.4129.9-147.7-61-176.8174.7-176.20111.4
475S38.8Very low42.3Very low99 Ų99134.5 Ų134.569%0.69271%0.712SS**  cis-173.5145.6-7.335.20000107.4
476T34.3Very low40.9Very low126 Ų126138 Ų13877%0.77373%0.733SS**  cis-163.5169.5-3.19.10000109.1
477S32.3Very low39.6Very low120 Ų120138.5 Ų138.584%0.83974%0.738SS**  trans62.7151171.731.30000117.2
478S36.8Very low38.2Very low99 Ų99134.4 Ų134.469%0.69274%0.736SS**  cis-151.2168.1-11.553.70000110.1
479S34.9Very low37.3Very low101 Ų101134.8 Ų134.871%0.70674%0.743SS**  trans47.1129.9151.252.70000120.5
480S35.2Very low36.3Very low103 Ų103133 Ų13372%0.7275%0.748SS**  cis-171.1166.74.149.80000111.8
481S32.6Very low35.3Very low95 Ų95129.4 Ų129.466%0.66475%0.747SS**  trans31.2136140.962.30000121.5
482V35.8Very low34.3Very low127 Ų127125.8 Ų125.877%0.7775%0.745SS**  cis-165.9169.8-2-97.10000109.4
483S32.1Very low33.3Very low89 Ų89120.5 Ų120.562%0.62274%0.74SS**  trans44.2118.9141.270.40000120
484S34.7Very low33.1Very low113 Ų113115 Ų11579%0.7974%0.737SS**  80.8153.6104.271.50000115
485A31Very low32.5Very low75 Ų75110.8 Ų110.862%0.6273%0.734SS**  cis-171.5166.8-23.100000106
486D30.3Very low32.2Very low149 Ų149111.6 Ų111.680%0.79774%0.739SS**  trans59.4144.3152.9-52.5-23.6000122.3
487E31.4Very low32.5Very low165 Ų165110.9 Ų110.977%0.77174%0.739SS**  trans51121.6134.9-72.1-60.8121.900122.9
488S28.8Very low32.6Very low90 Ų90109.9 Ų109.963%0.62973%0.732SS**  86.5167.7123.380.70000121.2
489V33.8Very low32.4Very low117 Ų117109.2 Ų109.271%0.70974%0.741SS**  trans3997.9167.2-63.10000119.5
490S30.5Very low32.3Very low104 Ų104110.2 Ų110.273%0.72773%0.734SS**  12.1147.1116.853.70000120.1
491S28.4Very low32.3Very low118 Ų118115.4 Ų115.483%0.82574%0.744SS**  trans78.1158.5178.291.40000114.1
492S29.9Very low32.4Very low104 Ų104120.7 Ų120.773%0.72775%0.749SS**  cis-137.4154.28.948.50000114.6
493S27.4Very low32.4Very low101 Ų101121 Ų12171%0.70674%0.742SS**  trans-33.9123.617051.60000117.4
494S36.9Very low32.6Very low116 Ų116125.7 Ų125.781%0.81175%0.751SS**  trans37.7100.7130.365.20000119
495S27.1Very low32.9Very low116 Ų116128.4 Ų128.481%0.81175%0.749SS**  trans-154.3155.715264.80000109.2
496S32.3Very low33.3Very low116 Ų116131.8 Ų131.881%0.81175%0.751SS**  cis-148.8136.2-10.131.30000109.3
497S39.5Very low33.6Very low111 Ų111133 Ų13378%0.77675%0.75SS**  trans-99.3173.4175.8600000111.8
498S35.5Very low33.7Very low98 Ų98135 Ų13569%0.68575%0.75SS**  trans79.1102.5175.277.10000117.5
499G31.6Very low33.9Very low85 Ų85136.9 Ų136.988%0.87675%0.753SS**  trans-134.260.3168.200000110.2
500H32.7Very low33.8Very low122 Ų122141.9 Ų141.957%0.56576%0.759SS**  trans-64.6138.2-162.1-65.7-95.9000115.7
501K36.3Very low33.7Very low213 Ų213141.3 Ų141.393%0.92676%0.755SS**THydrogen-bonded Turntrans-100.4101.7130.1-71.7179.9-178.61750107.6
502R35.3Very low33.7Very low206 Ų206144.2 Ų144.278%0.77776%0.756SS**THydrogen-bonded Turncis-141.2138.21.3-78178.6162.5160.5-5.2112.3
503H35.9Very low33.6Very low133 Ų133143.7 Ų143.762%0.61675%0.752SS**  trans24.9142.2142.3-40.9-58.1000120.2
504K35.8Very low33.8Very low188 Ų188143 Ų14382%0.81775%0.747SS**  cis-175.916449-138.6161.2-173.4174.70112.1
505K40.6Very low33.5Very low169 Ų169148.4 Ų148.474%0.73575%0.75SS**  trans75.5121.3153.4-80.5-173.8169.9-173.80122.1
506H38.7Very low33.7Very low146 Ų146148.6 Ų148.668%0.67675%0.751SS**  trans64.6127.2145.9-61.7-57.8000119.6
507K37.5Very low33.8Very low176 Ų176147.1 Ų147.177%0.76574%0.741SS**  64.2136.963-78.5-168.3-177.6178.90112.2
508R32.4Very low33.4Very low205 Ų205151.9 Ų151.977%0.77474%0.742SS**  cis-176.2-176.3-11-154.9-174.9-160.3179.64.7106.7
509N33.6Very low33.1Very low130 Ų130156.6 Ų156.670%0.69574%0.744SS**  trans81119.1165.4-49.8-16.2000113.2
510R31.2Very low33Very low223 Ų223160 Ų16084%0.84274%0.737SS**  78.6105.360.9-78.9-172.2170175.6-5112.6
511S29.2Very low32.8Very low92 Ų92158.7 Ų158.764%0.64374%0.741SS**  15.3150.1116.759.50000118.8
512E27.7Very low32.6Very low179 Ų179153 Ų15384%0.83673%0.729SS**  trans71.2142172.9-67.5166.1-143.600114.7
513S28.9Very low32.2Very low92 Ų92154.2 Ų154.264%0.64373%0.733SS**  cis-161.5176.1-1250.80000110.5
514S30.9Very low31.8Very low86 Ų86152.5 Ų152.560%0.60174%0.742SS**  trans50.7118.2146.269.20000120.3
515R30.8Very low31.6Very low231 Ų231148.7 Ų148.787%0.87274%0.739SS**  69.9125.2129.3-65.6172.7173.8158.5-3.8118.9
516S31.6Very low31.2Very low120 Ų120146.2 Ų146.284%0.83974%0.743SS**  trans77.2153.4147.193.50000115.2
517S34.5Very low30.8Very low85 Ų85144 Ų14459%0.59474%0.744SS**  cis-153.71743.973.90000112
518R30.3Very low30.7Very low211 Ų211144 Ų14480%0.79675%0.746SS**  trans69109.8148.6-74171.2176.4173.8-1.5119.8
519R28.9Very low30.5Very low196 Ų196140.9 Ų140.974%0.7474%0.744SS**  66.2138112.8-70.1-179.1172.1-169.1-1.7120.1
520H29.9Very low30.2Very low158 Ų158140.3 Ų140.373%0.73174%0.741SS**  trans67.1161.4154-56.9-46.2000116.6
521S28.8Very low30.2Very low93 Ų93136.8 Ų136.865%0.6573%0.734SS**  cis-168.1157.9-38.858.60000109.8
522S31.3Very low30.3Very low94 Ų94139.1 Ų139.166%0.65774%0.739SS**  trans69.1155.7154.581.60000119.1
523R28.8Very low30.3Very low232 Ų232142.5 Ų142.588%0.87574%0.744SS**  trans50.2104.5152.3-68.5166.7174.4155.4-2.3116.6
524A27.2Very low30.6Very low96 Ų96147.2 Ų147.279%0.79375%0.753SS**  57.6116.561.400000114.7
525S30.8Very low30.6Very low108 Ų108150.9 Ų150.976%0.75577%0.766SS**  179.7149.4124.352.50000111.9
526S31.6Very low30.5Very low118 Ų118148 Ų14883%0.82576%0.763SS**  trans58.8152.4169.151.70000117.5
527S30.1Very low30.3Very low99 Ų99147 Ų14769%0.69276%0.755SS**  cis-146.4142-5.1180000107
528Q35.4Very low30Very low175 Ų175153.6 Ų153.682%0.81877%0.768SS**  43.4127.796-66.1-176.8-21.500113.8
529I29.6Very low30.9Very low140 Ų140148.6 Ų148.672%0.71876%0.762SS**  cis-154.6155.312.6-121159.7000112.3
530D27.4Very low30.9Very low118 Ų118145.6 Ų145.663%0.63177%0.766SS**  trans20.3133.9164.2-74.2-95.9000126.5
531Q31.1Very low31.2Very low150 Ų150143.9 Ų143.970%0.70177%0.769SS**  96.5117.4126.7-79.9168.254.300123.4
532N30.1Very low31.2Very low140 Ų140143.4 Ų143.475%0.74977%0.77SS**  trans68.595.3138.7-63.8-23.7000120
533R27.8Very low31.3Very low250 Ų250146.1 Ų146.194%0.94378%0.777SS**  trans-139.9152.3131.4-100.9171.4-163.1-158.11110.7
534K36.3Very low31.3Very low191 Ų191141.7 Ų141.783%0.8378%0.776SS**  trans-78.2169.4165.5-58.4174.3179.8178.80108.7
535D29.4Very low31.3Very low163 Ų163143.3 Ų143.387%0.87278%0.782SS**  trans-175.8-170.7134.7-86.4-16.5000109.7
536E30.5Very low31.3Very low172 Ų172141.3 Ų141.380%0.80477%0.772SS**  trans-115.1174.6-147.7-50.6177128.400116
537C27.5Very low31.2Very low99 Ų99141.8 Ų141.867%0.66978%0.775SS**  trans60101.3147-73.40000122.5
538Y27.7Very low31.3Very low223 Ų223145.3 Ų145.388%0.87578%0.778SS**  68.2163.4127.7-76.6-61.9000119.9
539P48.6Very low31Very low105 Ų105145 Ų14568%0.68278%0.781SS**  trans-132.6-145.5-142.238.2-14.1000113.2
540V29.3Very low31.2Very low134 Ų134144.1 Ų144.181%0.81278%0.778SS**  trans79.9141.1174.8-1760000112
541P34.8Very low31.2Very low122 Ų122147.6 Ų147.679%0.79279%0.79SS**  cis-117.4165.11927.1-6.3000117.7
542A30.2Very low31.2Very low82 Ų82149.3 Ų149.368%0.67880%0.795SS**  trans-96.7165.5164.100000111.3
543N32Very low31.2Very low151 Ų151151.7 Ų151.781%0.80780%0.802SS**  trans56.5103.9159.7-58.8-12.9000118.4
544T30Very low31.1Very low140 Ų140149 Ų14986%0.85980%0.8SS**  -167.3123.2120.311.80000112.7A546T544-A546 HydrophobicContact CG2-CB 4.48Å
545S27.5Very low30.6Very low130 Ų130146 Ų14691%0.90980%0.798SS**  trans-132.659.3154.6640000109.1
546A31.3Very low30.5Very low66 Ų66146.5 Ų146.555%0.54579%0.794SS.*  trans-79.4124.717600000110.1T544 F548T544-A546 HydrophobicContact CG2-CB 4.48Å; A546-F548 HydrophobicContact CB-CD2 4.35Å; A546-F548 PolarHBondContact O-N 2.89Å
547S28.9Very low30.4Very low127 Ų127147.5 Ų147.589%0.88880%0.796SS**  trans-73103.5170.152.20000110.1
548F30.8Very low30.5Very low173 Ų173150.1 Ų150.176%0.75980%0.803SS**  trans-99.4130170.9-101.6-83.7000111.3A546A546-F548 HydrophobicContact CB-CD2 4.35Å; A546-F548 PolarHBondContact O-N 2.89Å
549L30.6Very low30.4Very low168 Ų168147.9 Ų147.988%0.8881%0.805SS**  trans-122.4130.5155.7-124.5173.8000107.3
550N32.9Very low29.4Very low122 Ų122146.4 Ų146.465%0.65281%0.809SS**  trans-88.3145.7-171.6-67.4-64.1000112
551H27.9Very low29.4Very low192 Ų192149.3 Ų149.389%0.88981%0.81SS**  -144.1161.5119.7-114.664.4000111.9
552K30.6Very low29Very low186 Ų186150.9 Ų150.981%0.80981%0.807SS**  trans-152.4167-175.3-142.9179.5-173.4-178.30108.3
553Q30.4Very low28.8Very low190 Ų190152.6 Ų152.689%0.88881%0.805SS**  trans75.6144.8-162.3-51.9174.6-54.600110.8
554E25.8Very low28.5Very low194 Ų194156.5 Ų156.591%0.90781%0.809SS**  cis-112-174.513.7-67-174119.100115.1
555V26Very low28.3Very low128 Ų128156.7 Ų156.778%0.77680%0.803SS**  trans-113.4167.6177.81650000108.3
556E26.5Very low28.1Very low172 Ų172157.2 Ų157.280%0.80479%0.792SS**  trans66.8105.5168.6-87.5166.7-146.600118.7
557K28.9Very low27.7Very low193 Ų193162.8 Ų162.884%0.83980%0.8SS**  -161.6124.6116-104.1147-171.8164.30113
558L29.5Very low27.6Very low155 Ų155164.8 Ų164.881%0.81280%0.795SS**  trans52.6104.6150.3-50.9175.1000117.2
559L26.9Very low27.3Very low175 Ų175165.7 Ų165.792%0.91680%0.799SS**  46.4106.576.1-67.5170.6000113.9
560G26.3Very low26.9Very low74 Ų74164.7 Ų164.776%0.76380%0.799SS**  trans-141.5-4.3-169.500000119.6
561K28.8Very low26.6Very low195 Ų195167.3 Ų167.385%0.84881%0.808SS**  trans65120.5175.9-63.1175-178.2177.10115.4
562Q27.7Very low26.5Very low156 Ų156166.4 Ų166.473%0.72981%0.808SS**  78.1119.973.1-84.9-171.6-85.800116.3
563D25.1Very low26.1Very low117 Ų117165.4 Ų165.463%0.62680%0.803SS**  trans70104.9134.7-49.6-14.4000122.2
564R25.2Very low25.8Very low234 Ų234162.3 Ų162.388%0.88379%0.789SS**  -176.4132.1115.4-92.9154.3-176.2-140.9-1.7108.5
565L26Very low25.8Very low143 Ų143160.3 Ų160.375%0.74978%0.777SS**  62.9139.855.9-61.6175.3000113.7
566Q23.9Very low25.6Very low142 Ų142160.5 Ų160.566%0.66477%0.774SS**  cis-173.9161-25.4-156.3179.93.100107.3
567Y23.8Very low25.5Very low183 Ų183163.9 Ų163.972%0.71878%0.779SS**  trans64.5163.6171.8-71.6-84.8000115.9
568E25Very low25.3Very low168 Ų168160.7 Ų160.779%0.78578%0.78SS**  cis-141.9174.12.6-160.1132.6-126.900112.7
569K24.5Very low25.2Very low193 Ų193159.2 Ų159.284%0.83978%0.78SS**  trans-84.5154.6166.5-73.8177.6175.5174.80111.5
570T24.1Very low25Very low146 Ų146158.8 Ų158.890%0.89678%0.777SS**  trans-153.3155.7142.1-7.20000110.4
571Q25.2Very low24.9Very low178 Ų178160.8 Ų160.883%0.83278%0.78SS**  trans-104.3155175.6-61.9172.6-13.200109.2
572I25.5Very low24.7Very low173 Ų173156.3 Ų156.389%0.88777%0.773SS**  trans-171.3157.4131-98.9154.7000111.9
573K23.5Very low24.4Very low164 Ų164154.2 Ų154.271%0.71378%0.776SS**  trans-61.4156.2-165.6-68.2166.7138.2-128.60119.6
574E23.2Very low24.4Very low126 Ų126153.4 Ų153.459%0.58978%0.779SS**  88.4137.3128.7-88.5173-115.100124.3
575K25.2Very low24.5Very low152 Ų152149.7 Ų149.766%0.66178%0.776SS**  trans76.1111.6150-71.7-169.8-178.683.70122
576D23.7Very low24.4Very low132 Ų132151.4 Ų151.471%0.70678%0.78SS**  65.9135.9119.4-55.9-12.8000123
577R24.2Very low24.6Very low242 Ų242151 Ų15191%0.91378%0.781SS**  trans76.6126.5162.2-62.4176.9-174.5-152.2-1.3118.3
578C23.3Very low25.2Very low126 Ų126147.9 Ų147.985%0.85178%0.784SS**  trans-65.2155.8162.3-43.30000111.4
579P27.1Very low25.4Very low125 Ų125146.3 Ų146.381%0.81278%0.78SS**  -123.7171.5127.236.1-30.7000112.7
580L24.3Very low25.7Very low165 Ų165143.1 Ų143.186%0.86477%0.772SS**  trans-98.4171.5178.6-82.4164.6000112.2
581S23.9Very low25.9Very low117 Ų117145.1 Ų145.182%0.81877%0.769SS**  trans77.8156.7166.890.30000115.5
582S24.1Very low25.9Very low101 Ų101140.5 Ų140.571%0.70677%0.77SS**  cis-157.3-165.28.360.90000112.1
583S21.6Very low26Very low111 Ų111135.8 Ų135.878%0.77676%0.763SS**  trans77.6138.817676.40000116.4
584S24.8Very low26.2Very low101 Ų101139.9 Ų139.971%0.70677%0.774SS**  cis-133.6148.22.5-85.10000109.8
585L26.7Very low26.5Very low155 Ų155138.1 Ų138.181%0.81278%0.776SS**  58.7130.469.7-73.3164.5000112.1
586E24.9Very low26.7Very low179 Ų179139.7 Ų139.784%0.83679%0.786SS**  cis-137.6177.323.2-64.1-179.8144.900114.5
587I28.8Very low27.2Very low134 Ų134140.8 Ų140.869%0.68779%0.792SS**  trans-129.1153.5175.1-39.5169.7000108.3
588P35.9Very low27.9Very low118 Ų118134.7 Ų134.777%0.76678%0.783SS**  -130.9144.2103.410.411.4000111.8
589D29.2Very low28.2Very low134 Ų134138.9 Ų138.972%0.71778%0.781SS**  69.8142.258.8-60.7-40.9000112.4
590D29.8Very low28.1Very low126 Ų126138.9 Ų138.967%0.67478%0.775SS**  cis-154.2-17935-165.54000113.5
591F28Very low28.1Very low188 Ų188140.6 Ų140.683%0.82578%0.775SS**  trans85.581.6168.7-64.8-75.5000119.2
592G26.5Very low28.2Very low82 Ų82140.1 Ų140.185%0.84577%0.771SS**  trans-70.4-149.6166.800000116.5
593G27.8Very low28.2Very low73 Ų73141.5 Ų141.575%0.75377%0.77SS**  cis165.9171.20.800000112.9
594R28.2Very low28.5Very low250 Ų250140.2 Ų140.294%0.94376%0.761SS**  trans69.4148.3175.9-68-169.3175.6-146.5-1.4117.6
595S29Very low28.7Very low90 Ų90144 Ų14463%0.62976%0.761SS**  cis-171.8147.5-18.654.70000113.4
596E27.9Very low28.7Very low184 Ų184147.7 Ų147.786%0.8676%0.764SS**  trans63.4118.3155.6-34.1-145.3142.600120.7
597D34.8Very low28.9Very low156 Ų156146 Ų14683%0.83477%0.766SS**  trans-71.8155.5146.5-66.2-62.3000109.9
598P38.3Very low28.9Very low113 Ų113148.7 Ų148.773%0.73478%0.776SS**  -148.9130.8102.434.6-17.4000116.9
599R29.6Very low28.5Very low214 Ų214148.3 Ų148.381%0.80878%0.783SS**  trans41.6127131.6-85.4-170.6-67.5-173.7-1.9122.7
600D26.6Very low28.4Very low126 Ų126145.8 Ų145.867%0.67479%0.789SS**  trans89.6148.9131.2-59.6-20.6000122.4
601F23.2Very low28.3Very low201 Ų201145.5 Ų145.588%0.88280%0.796SS**  trans85.6142.6166.4-78.2-78000122
602C26.8Very low28.3Very low107 Ų107142 Ų14272%0.72380%0.795SS**  trans-82157.4-167.3-56.10000112.6
603N23.9Very low28.4Very low130 Ų130147.1 Ų147.170%0.69579%0.794SS**  -160.8169.4116.2-112.4-52.1000115
604S28.6Very low28.4Very low83 Ų83149.8 Ų149.858%0.5880%0.796SS**  trans-71.8-179.5164.8320000109.6
605Y28.8Very low28.2Very low180 Ų180147.2 Ų147.271%0.70680%0.795SS**  cis-163.2146.542.6-23.5-96.7000114.1
606R26.9Very low28.2Very low233 Ų233152.3 Ų152.388%0.87981%0.805SS**  51.9114126.6-169.2-169.7-161.9177.26.5120.4
607T29Very low29.6Very low143 Ų143147.8 Ų147.888%0.87779%0.792SS**  trans-150.6165131.77.30000111.4
608Q29Very low29.1Very low191 Ų191149.7 Ų149.789%0.89379%0.789SS**  trans-136.4176.6-176.4-85.6-171.8-19.300110.9
609A27.1Very low28.6Very low111 Ų111152.1 Ų152.192%0.91779%0.788SS**  trans85.3152.4175.400000115.4
610G25.6Very low28.4Very low81 Ų81146.1 Ų146.184%0.83578%0.779SS**  cis-133.1-171.5900000115.6
611S28.2Very low28.4Very low119 Ų119145.8 Ų145.883%0.83277%0.773SS**  trans-130.8151.4-166.859.10000113.7
612S27.8Very low28.6Very low114 Ų114144.8 Ų144.880%0.79776%0.764SS**  trans-165.3120.2148.134.40000114.7
613K28.5Very low28.6Very low191 Ų191146.4 Ų146.483%0.8376%0.76SS**  23.6113.4128.7-60.9176.2-178.4179.50117.4
614T27.8Very low28.6Very low128 Ų128148.9 Ų148.979%0.78577%0.765SS**  65.611169.567.10000116.3
615E23.9Very low28.5Very low197 Ų197149.5 Ų149.592%0.92177%0.769SS**  trans-158.4164.2142.3-122.7166.2-138.300113.4
616K30.3Very low28.3Very low196 Ų196145.6 Ų145.685%0.85277%0.768SS**  trans-177.1171.7-167.9-110.1-175.8-176.9-178.90107.9
617P56Low28.2Very low90 Ų90145.6 Ų145.658%0.58477%0.768SS**  cis-134.6-136-18.741.2-20.6000111
618Y24.1Very low28.1Very low195 Ų195149.1 Ų149.177%0.76577%0.766SS**  trans80.5143.3172.3-61.8-50.9000115.5
619K28.5Very low27.8Very low165 Ų165146.5 Ų146.572%0.71776%0.758SS**  cis-157.5178.61.9-113.5164.7-168.2168.60107.2
620S26.3Very low27.6Very low87 Ų87145.6 Ų145.661%0.60875%0.745SS**  cis-167.7162.54.9-105.10000105.5
621E25.7Very low27.5Very low119 Ų119146.8 Ų146.856%0.55674%0.74SS**  cis-159-164.91-151.352.3-11200111.1
622R28.9Very low27.2Very low181 Ų181147.7 Ų147.768%0.68374%0.736SS**  trans-60.4177.6176.4-58.9156.8-148.5176.610.3116.5
623H26.6Very low27.1Very low141 Ų141146.6 Ų146.665%0.65373%0.728SS**  cis-138.3175.321.8-70.9-106.5000111.5
624F23.3Very low26.8Very low182 Ų182147 Ų14780%0.79873%0.73SS**  cis-150.7166.325-113.9-74000114.3
625S25.8Very low26.6Very low95 Ų95145.7 Ų145.766%0.66473%0.725SS**  trans-9.8160.7161.551.30000123.8
626S24.9Very low26.6Very low98 Ų98147.3 Ų147.369%0.68572%0.723SS**  cis176145.3-2060.10000113.4
627R25Very low26.3Very low233 Ų233145.1 Ų145.188%0.87972%0.721SS**  trans56.9152.4151.5-67175.1172.8172.4-2.8117.7
628R26.6Very low24.8Very low217 Ų217146 Ų14682%0.81973%0.729SS**  cis-164.316326.4-144.4172.9-173.7171.90.6110.5
629N23.8Very low24.8Very low136 Ų136145.4 Ų145.473%0.72773%0.733SS**  trans21.9128.7148.8-68.743.7000120.5
630S21.2Very low24.7Very low93 Ų93143 Ų14365%0.6573%0.729SS**  cis91.8123.249.278.60000116.2
631S23.5Very low24.7Very low106 Ų106146.4 Ų146.474%0.74173%0.732SS**  trans76.6132.2156.6-58.60000121.4
632D21.8Very low24.7Very low138 Ų138147 Ų14774%0.73874%0.738SS**  trans46.1115.2138.9-66.3-56.7000121
633S26.2Very low24.5Very low91 Ų91149.4 Ų149.464%0.63675%0.748SS**  82.7131.363.685.40000114.2
634F23.8Very low24.4Very low199 Ų199146.4 Ų146.487%0.87376%0.756SS**  trans-164.8111.5158.8-104.7-70.8000112.5
635C22.8Very low24.5Very low101 Ų101147.6 Ų147.668%0.68276%0.756SS**  trans59.7161.2134.4-740000121.5
636R24.2Very low24.5Very low230 Ų230152.3 Ų152.387%0.86876%0.76SS**  cis-151.8171.81-134.2166.2-169.6-174.81.6112.4
637N23.2Very low24.6Very low150 Ų150156.5 Ų156.580%0.80276%0.76SS**  trans-78.9145.9174.5-50.7-12.1000113.2
638S24.5Very low24.6Very low110 Ų110153.1 Ų153.177%0.76975%0.752SS**  trans-175.6123.7136440000106.5
639E25.2Very low24.6Very low182 Ų182149 Ų14985%0.8574%0.742SS**  69.6139.159.5-67.1-161143.300115
640D25.5Very low24.8Very low115 Ų115152.2 Ų152.262%0.61575%0.75SS**  trans76.697163.6-83.517.9000124
641K26.3Very low25.1Very low157 Ų157154.5 Ų154.568%0.68376%0.755SS**  77.3140.4108.5-76-175.1-170.3840122
642I24.9Very low25.5Very low132 Ų132156.8 Ų156.868%0.67776%0.757SS**  trans87.5115.1137.7-77.8166.6000120.6
643Y25.6Very low25.8Very low231 Ų231159.1 Ų159.191%0.90676%0.764SS**  trans50138.3145.6-70.9-118.3000121.7
644G24.4Very low25.8Very low78 Ų78157.9 Ų157.980%0.80477%0.766SS**  trans179.9123.216300000115.5
645Y24.8Very low26Very low207 Ų207160 Ų16081%0.81277%0.768SS**  trans-88.8135.8179.2-106.4-124.2000113
646R26.8Very low26.2Very low194 Ų194164.3 Ų164.373%0.73278%0.775SS**  44.5128.3126.1-154.3-160.8-65.9-158.7-2120.8
647R26.4Very low26.3Very low186 Ų186160.7 Ų160.770%0.70277%0.768SS**  trans102.4148.6138.9-135.3-179-170.31653.4120.4
648F25Very low26.5Very low163 Ų163158.8 Ų158.872%0.71575%0.754SS**  trans102110.8170.4-69.2-82.3000115.2
649E27.9Very low26.5Very low130 Ų130161.4 Ų161.461%0.60775%0.748SS**  cis86.3109.630.6-168.8-171-78.800113.4
650K27.3Very low26.5Very low204 Ų204161.9 Ų161.989%0.88774%0.742SS**  trans-170.6142.1140-111.4174.6-177.3-179.20113.3
651D27.9Very low26.3Very low140 Ų140165.8 Ų165.875%0.74975%0.748SS**  trans-92.9178.1-179.3-40.5-96.5000112.5
652I30.2Very low26.1Very low155 Ų155169.1 Ų169.180%0.79576%0.757SS**  -166.6126121.8-100156.3000111.3
653E28.8Very low26.1Very low186 Ų186171.1 Ų171.187%0.86976%0.763SS**  trans38.5142.4149.5-51.1-175.5143.100122.5
654G27.3Very low26.9Very low66 Ų66166 Ų16668%0.6876%0.759SS**  cis157.6163.5-6.600000114.8
655R26.5Very low26.9Very low243 Ų243166 Ų16692%0.91776%0.759SS**  trans70.2145.8176.9-56.8177.3179.7-175.40.1114.7
656K27.3Very low26.9Very low191 Ų191161.8 Ų161.883%0.8376%0.759SS**  cis-149.3145.18.3-140.3174.3-174.9-176.50110.9
657E27Very low26.8Very low155 Ų155157.2 Ų157.272%0.72475%0.752SS**  trans-83.1-174.9170.4-49.3167.2101.600110
658H26.6Very low26.8Very low110 Ų110158.1 Ų158.151%0.50976%0.756SS.*  cis-176.6165.926.7-137.15.8000110.7
659Y24Very low26.8Very low165 Ų165158 Ų15865%0.64776%0.757SS**  trans66.4156.2157.1-63.8-39.5000119.7
660R25.5Very low26.6Very low191 Ų191156.4 Ų156.472%0.72176%0.76SS**  cis-155.1137.2-6.4-111.8164.9-160.7-153.25.5106.8
661R22.8Very low26.6Very low197 Ų197153.6 Ų153.674%0.74376%0.76SS**  82.113273.5178.6-174.8-91.1-148.8-1.6115.1
662W22.2Very low26.6Very low227 Ų227152.2 Ų152.286%0.8676%0.762SS**  trans97.8123.7159.4-80.53.3000121
663E24Very low27.1Very low174 Ų174150.8 Ų150.881%0.81376%0.762SS**  trans-88-166.6149.5-29.4172.2126.800108.8
664P43Very low27Very low125 Ų125146.1 Ų146.181%0.81276%0.756SS**  cis-127.6175.7-19.431.7-12.4000113.2
665G23.1Very low27.1Very low78 Ų78148.5 Ų148.580%0.80476%0.762SS**  trans-158.9147.1172.200000112.2
666S24.7Very low27.2Very low117 Ų117142.1 Ų142.182%0.81876%0.755SS**  trans-142.6178.1-171.3-172.90000112
667V25Very low27.3Very low98 Ų98140 Ų14059%0.59475%0.753SS**  trans88.897.9163.4-178.40000118.3
668R26Very low27.3Very low206 Ų206143.9 Ų143.978%0.77776%0.762SS**  trans61.8163.6134.1-59.6178.5-132.3176.67.4117.9
669H25.2Very low27.3Very low160 Ų160143.4 Ų143.474%0.74177%0.771SS**  cis-131.8-161.9-7-126.5-41.4000111.3
670S25.3Very low27.4Very low97 Ų97146 Ų14668%0.67878%0.78SS**  trans-158.6147.8-145.4530000116.8
671T26.6Very low27.6Very low144 Ų144144.9 Ų144.988%0.88378%0.781SS**  trans-132.4128.6174.549.80000113.8
672S26.8Very low27.7Very low111 Ų111140.9 Ų140.978%0.77678%0.782SS**  trans-113.8167.9166.7-48.90000109.9
673P41.3Very low27.9Very low125 Ų125135.3 Ų135.381%0.81277%0.773SS**  -125.8142.290.62.420.1000112.3
674A27.1Very low28Very low89 Ų89133.9 Ų133.974%0.73677%0.767SS**  70.1137.676.200000113.2
675S29.5Very low27.2Very low115 Ų115134.9 Ų134.980%0.80476%0.758SS**  cis-165.2163.4-2.544.20000107.5
676S29Very low27.3Very low109 Ų109141.3 Ų141.376%0.76276%0.76SS**  -165.8142.550.354.60000114.9
677D29Very low27.3Very low148 Ų148143.3 Ų143.379%0.79175%0.754SS**  trans-87.1169.8167.4-52-84.3000113.3
678Y26.6Very low27.3Very low236 Ų236148.3 Ų148.393%0.92577%0.767SS**  trans-147107.5137.4-113-77.2000111.5
679S27.5Very low27.2Very low100 Ų100147.9 Ų147.970%0.69977%0.767SS**  trans-161.6120.6173.8-179.70000113
680W25.1Very low27.3Very low218 Ų218146.4 Ų146.483%0.82677%0.769SS**  trans-143.6121172.9-79.570.5000107.5
681K29Very low27.2Very low169 Ų169150.8 Ų150.874%0.73578%0.779SS**  68.9133.678-68.7174.3-178.9171.40112.5
682S25.7Very low27Very low112 Ų112148.7 Ų148.778%0.78377%0.77SS**  cis-131.2163.743.655.60000114.1
683V26.7Very low26.8Very low110 Ų110147.4 Ų147.467%0.66777%0.774SS**  cis77.5108.432.7179.60000110.8
684E25.2Very low26Very low145 Ų145147 Ų14768%0.67877%0.774SS**  -169174.174.4-75.1-152.4166.600111.6
685K26.6Very low25.8Very low145 Ų145154.3 Ų154.363%0.6378%0.783SS**  cis-168.9125.1-24.4-101.4-174.9-161.81370110.4
686Y24.8Very low25.6Very low213 Ų213155.7 Ų155.784%0.83578%0.781SS**  trans60163.2156.4-69.9-90.9000118.7
687K24.9Very low25.3Very low160 Ų160160.3 Ų160.370%0.69679%0.788SS**  cis-153.3145.821.2-147.4168.7-168.7179.10111.4Y689K687-Y689 HydrophobicContact CD-CE2 4Å; K687-Y689 HydrophobicContact CG-CE2 4.27Å
688K25.2Very low25.1Very low202 Ų202157.5 Ų157.588%0.87878%0.78SS**  trans-111.8153.2165.4-83.9-175.2175.6179.30110.1
689Y23.4Very low25.1Very low197 Ų197156.8 Ų156.877%0.77378%0.776SS**  trans-143.7141165.6-92.5-77.5000110.5K687K687-Y689 HydrophobicContact CD-CE2 4Å; K687-Y689 HydrophobicContact CG-CE2 4.27Å
690T27.3Very low25Very low129 Ų129159.8 Ų159.879%0.79178%0.778SS**  trans-151.1109.217444.90000110.3
691H24Very low24.9Very low189 Ų189155.2 Ų155.288%0.87577%0.766SS**  trans179.7149.6162.3-105.861000104.4
692S22.6Very low24.8Very low101 Ų101156.1 Ų156.171%0.70677%0.773SS**  cis160.2136-8.652.50000103.8
693G22.6Very low24.8Very low83 Ų83160.1 Ų160.186%0.85677%0.771SS**  trans140.2119.9169.200000114.6
694S24.4Very low24.6Very low116 Ų116164.5 Ų164.581%0.81178%0.777SS**  trans-86.8146.7174.4-39.90000111.3
695R23.5Very low24.7Very low243 Ų243166.8 Ų166.892%0.91778%0.779SS**  -179.4148.8124.5-102.1166.6-178.71790.5112.4
696D25.7Very low24.6Very low145 Ų145166.2 Ų166.278%0.77578%0.782SS**  trans-64.6154.6165-40.5-99.3000111
697F22.6Very low24.6Very low206 Ų206161.7 Ų161.790%0.90477%0.773SS**  -165.2175.3117.4-118.9-84.9000110.7
698S24.2Very low24.7Very low89 Ų89159 Ų15962%0.62277%0.769SS**  trans-131.9165.9-167.4670000114.1
699R25.8Very low24.8Very low221 Ų221155.1 Ų155.183%0.83476%0.758SS**  trans80.9156.4158.6-70.5-179169.8-177.9-2.2120.8
700H24.9Very low24.9Very low163 Ų163154.3 Ų154.376%0.75576%0.762SS**  trans69.3114.7173.5-64.1-40.8000115.7
701E24.6Very low24.9Very low122 Ų122151.6 Ų151.657%0.5776%0.76SS**  cis60.1109.226.1-158.4-165-164.700114.7R703E701-R703 IonicContact OE1-CZ 3.31Å; E701-R703 IonicContact OE1-NE 2.68Å; E701-R703 PolarHBondContact OE1-NE 3.1Å; E701-R703 IonicContact OE1-NH2 2.81Å; E701-R703 PolarHBondContact OE1-NH2 2.88Å
702Q25.8Very low24.9Very low187 Ų187149.9 Ų149.987%0.87475%0.752SS**  trans-144.2141.4147-109.4-179.821.200110.2
703R25.4Very low25.2Very low196 Ų196153.8 Ų153.874%0.7475%0.753SS**  trans-112.8152.5-174.2-51.5177.8-166.6176.63.5111.3E701E701-R703 IonicContact OE1-CZ 3.31Å; E701-R703 IonicContact OE1-NE 2.68Å; E701-R703 PolarHBondContact OE1-NE 3.1Å; E701-R703 IonicContact OE1-NH2 2.81Å; E701-R703 PolarHBondContact OE1-NH2 2.88Å
704Y24.2Very low25.4Very low202 Ų202158 Ų15879%0.79275%0.75SS**  trans-136.5140.3154.8-83.9-103.5000108.9
705R25.6Very low25.4Very low194 Ų194162.2 Ų162.273%0.73275%0.748SS**  cis-169.3136.9-22.3-126-164.9177.8-1610108.2
706L24.8Very low25.6Very low132 Ų132158.3 Ų158.369%0.69174%0.74SS**  trans65.3159.8161.6-81.467.6000116.4
707N25.2Very low25.6Very low118 Ų118158 Ų15863%0.63174%0.739SS**  cis-152147.15.7-137.916000114.2
708T27.7Very low25.7Very low103 Ų103155.5 Ų155.563%0.63274%0.735SS**  trans50144.514353.30000121.7
709N26.5Very low25.9Very low121 Ų121162.2 Ų162.265%0.64775%0.748SS**  cis-163.3154.56.2-125.32.1000112.6
710Q26.4Very low25.9Very low180 Ų180155 Ų15584%0.84174%0.742SS**  trans59.5144.8157.6-65.7151.1-33.400116.3
711G25.9Very low26Very low73 Ų73156.8 Ų156.875%0.75375%0.751SS**  cis134146.417.100000107
712E25.7Very low26.2Very low153 Ų153158.6 Ų158.672%0.71577%0.765SS**  cis-169.3146.6-0.1-139.2176.5-16800108.3
713Y27.6Very low26.4Very low182 Ų182156.3 Ų156.371%0.71476%0.763SS**  trans59.7163.1172-52.5-73000117.4
714E27.4Very low26.5Very low172 Ų172156.3 Ų156.380%0.80477%0.768SS**  cis-146177.5-14.3-137.4156.1-150.100113.4
715R24.8Very low26.6Very low204 Ų204153.3 Ų153.377%0.7777%0.771SS**  trans-73.7169.7167.7-140.3-171.1-78.5160.5-5.3108.3
716E26.8Very low26.6Very low161 Ų161152.9 Ų152.975%0.75278%0.778SS**  cis-153.3170.838.9-67.5-163.913700114.1
717D25.6Very low26.7Very low139 Ų139152.7 Ų152.774%0.74378%0.782SS**  trans-70.1153.3171.5-43.4-97.6000112.7
718N25.3Very low27.4Very low153 Ų153152.6 Ų152.682%0.81879%0.788SS**  -169.7169.8127.3-110.7-67.9000116
719Y27.2Very low27.3Very low231 Ų231156.1 Ų156.191%0.90680%0.797SS**  trans-81.1166.8179.1-68.6-110.5000113.3
720G26.8Very low27.4Very low69 Ų69159.8 Ų159.871%0.71181%0.81SS**  trans154.786.814700000119.9
721E27.5Very low27.3Very low201 Ų201158.7 Ų158.794%0.93981%0.81SS**  trans56.7157.4140.1-58.9-169.6135.800123.8
722D27.4Very low27.3Very low159 Ų159159.6 Ų159.685%0.8581%0.811SS**  trans-90.1147.8-176.7-52.2-96.8000114.3
723V29.8Very low27.4Very low140 Ų140160.1 Ų160.185%0.84882%0.818SS**  trans-140.8136.7148.4-179.10000110.1
724K27.2Very low27.1Very low195 Ų195156.5 Ų156.585%0.84882%0.819SS**  trans-94.9147.4169.5-64178179178.70111.2
725T27.1Very low27.1Very low139 Ų139153.8 Ų153.885%0.85382%0.819SS**  trans-147.5164.9155.1-21.50000110.4
726E25.2Very low27.2Very low186 Ų186152.4 Ų152.487%0.86982%0.818SS**  trans-112.5-170.2-154.8-59.2-177.6138.800115.1
727V28.3Very low27.1Very low127 Ų127153.8 Ų153.877%0.7783%0.825SS**  trans-100.2148.9-161.3-176.20000112.1
728P39.4Very low27.1Very low117 Ų117154.6 Ų154.676%0.7682%0.824SS**  -127.7135.6110.52.919.3000111.5
729E26.3Very low27Very low176 Ų176153.1 Ų153.182%0.82283%0.825SS**  70.5111.676.3-68.8-166.4154.600115.5
730E27.1Very low26.9Very low198 Ų198151 Ų15193%0.92582%0.824SS**  -165169.1111.9-113.6-175.8-151.500112.3
731D24.9Very low26.8Very low157 Ų157153 Ų15384%0.8483%0.827SS**  trans-76.5151.8-158.1-77.8-54.4000118.4
732A26.6Very low26.7Very low93 Ų93147.4 Ų147.477%0.76981%0.81SS**  176.8107108.900000115.4
733L27.6Very low26.7Very low164 Ų164146.1 Ų146.186%0.85981%0.808SS**  trans37109.6141.4-66.8167.9000121.8
734S21.8Very low26.6Very low106 Ų106146.9 Ų146.974%0.74180%0.8SS**  50.7116.1118-166.80000119
735S26.8Very low26.9Very low114 Ų114146.7 Ų146.780%0.79780%0.799SS**  -159.7159.269.525.40000114.6
736K25.9Very low27.1Very low175 Ų175146.3 Ų146.376%0.76179%0.791SS**  trans-73.4164.4174.2-65.7-176.5-179.8-1800109.7
737E26Very low27.8Very low190 Ų190142.4 Ų142.489%0.88878%0.776SS**  cis-142.917447.8-69.7-173.2145.100116.3
738H24.8Very low28.2Very low156 Ų156140.1 Ų140.172%0.72276%0.764SS**  trans-79134.1-158.6-63.5-98.4000114.1
739S24.2Very low28.3Very low122 Ų122142.1 Ų142.185%0.85376%0.763SS**  trans-89.397159.848.40000110.1S741S739-S741 PolarHBondContact O-N 2.87Å
740E24.4Very low29.3Very low186 Ų186139 Ų13987%0.86975%0.752SS**  trans-62.8135.5171.7-71.6-164.5135.700111.1S742E740-S742 PolarHBondContact O-N 3.03Å
741S23.5Very low30.2Very low113 Ų113130.6 Ų130.679%0.7971%0.713SS**  trans-74.294.6-172.247.40000111.5S739 V743S739-S741 PolarHBondContact O-N 2.87Å; S741-V743 PolarHBondContact O-N 2.69Å
742S25.7Very low31.1Very low83 Ų83127.6 Ų127.658%0.5870%0.697SS**  trans-51.9115.1175.466.80000111E740 K744E740-S742 PolarHBondContact O-N 3.03Å; S742-K744 PolarHBondContact O-N 2.99Å; S742-K744 WeakPolarHBondContact OG-CE 3.43Å
743V27.8Very low32.1Very low132 Ų132127.3 Ų127.380%0.868%0.682SS**  trans-70.582.1173.7-178.80000108.9S741 K745S741-V743 PolarHBondContact O-N 2.69Å; V743-K745 VanDerWaalsContact C-N 3.31Å; V743-K745 PolarHBondContact O-N 3.25Å
744K28.8Very low33.2Very low156 Ų156120.5 Ų120.568%0.67865%0.647SS**  trans-68.791.5172.3-70.9177.3-177.8172.70108.4S742 N746S742-K744 PolarHBondContact O-N 2.99Å; S742-K744 WeakPolarHBondContact OG-CE 3.43Å; K744-N746 PolarHBondContact O-N 3.13Å
745K33.2Very low34.7Very low190 Ų190116 Ų11683%0.82661%0.614SS**  trans-60.386.4154.6-74.4-174177.3-179.60107.1V743 L747V743-K745 VanDerWaalsContact C-N 3.31Å; V743-K745 PolarHBondContact O-N 3.25Å; K745-L747 PolarHBondContact O-N 2.72Å; K745-L747 VanDerWaalsContact O-N 3.12Å
746N30.8Very low36.1Very low131 Ų131114.6 Ų114.670%0.70160%0.597SS**PPolyproline II helixtrans-59.4117.1-178.8-69.4-41.4000108.5K744K744-N746 PolarHBondContact O-N 3.13Å
747L38.9Very low37.4Very low104 Ų104110.2 Ų110.255%0.54558%0.58SS.*PPolyproline II helixtrans-53.8131.2158.8-86.572.1000106.6K745 Q749K745-L747 PolarHBondContact O-N 2.72Å; K745-L747 VanDerWaalsContact O-N 3.12Å; L747-Q749 PolarHBondContact O-N 3.1Å; L747-Q749 VanDerWaalsContact O-N 3.08Å
748P38.3Very low38.8Very low80 Ų80101.4 Ų101.452%0.51954%0.539SS..PPolyproline II helixtrans-58.9121.7178.523.6-32.6000108.2N750 L751P748-N750 PolarHBondContact O-N 3.28Å; P748-L751 HydrophobicContact CG-CD1 3.68Å; P748-L751 HydrophobicContact CG-CG 4.11Å; P748-L751 PolarHBondContact O-N 2.94Å
749Q40Very low40.2Very low159 Ų15995 Ų9574%0.74351%0.513SS*.Hα-helixtrans-55.7-23.4-164.9-69.5154.3-52.300113.6L747 L751 L752 N753L747-Q749 PolarHBondContact O-N 3.1Å; L747-Q749 VanDerWaalsContact O-N 3.08Å; Q749-L751 VanDerWaalsContact C-N 3.3Å; Q749-L751 PolarHBondContact O-N 3.26Å; Q749-L752 PolarHBondContact O-N 2.92Å; Q749-N753 PolarHBondContact O-N 3.38Å
750N47.4Very low41.4Very low110 Ų11094.7 Ų94.759%0.58850%0.498SS*.Hα-helixtrans-55.4-34.8170.4-66.9-33.8000114.4P748 I754P748-N750 PolarHBondContact O-N 3.28Å; N750-I754 WeakPolarHBondContact O-CG1 3.46Å; N750-I754 PolarHBondContact O-N 2.88Å
751L46Very low42.6Very low21 Ų2189.7 Ų89.711%0.1147%0.473CS..Hα-helixtrans-71.6-38.1176.5-68.5173.2000111.7E342 P748 Q749 N753 I754 F755E342-L751 WeakPolarHBondContact OE1-CD1 3.37Å; P748-L751 HydrophobicContact CG-CD1 3.68Å; P748-L751 HydrophobicContact CG-CG 4.11Å; P748-L751 PolarHBondContact O-N 2.94Å; Q749-L751 VanDerWaalsContact C-N 3.3Å; Q749-L751 PolarHBondContact O-N 3.26Å; L751-N753 VanDerWaalsContact C-N 3.31Å; L751-N753 PolarHBondContact O-N 2.82Å; L751-I754 HydrophobicContact CD2-CD1 4.42Å; L751-I754 WeakPolarHBondContact O-CB 3.47Å; L751-I754 PolarHBondContact O-N 2.91Å; L751-F755 WeakPolarHBondContact O-CD2 3.46Å; L751-F755 PolarHBondContact O-N 3.29Å
752L44.6Very low44Very low95 Ų9587 Ų8750%0.49745%0.448SS..Hα-helixtrans-64-40.2177.6-149.475.2000110.9Q749 N756Q749-L752 PolarHBondContact O-N 2.92Å; L752-N756 WeakPolarHBondContact O-CB 3.38Å; L752-N756 PolarHBondContact O-N 3.48Å; L752-N756 PolarHBondContact O-ND2 2.67Å
753N48Very low45.2Very low86 Ų8690 Ų9046%0.4645%0.451SS..Hα-helixtrans-63.2-38.3173.5-74.1-11.4000112.9Q749 L751 Q757Q749-N753 PolarHBondContact O-N 3.38Å; L751-N753 VanDerWaalsContact C-N 3.31Å; L751-N753 PolarHBondContact O-N 2.82Å; N753-Q757 WeakPolarHBondContact O-CB 3.38Å; N753-Q757 WeakPolarHBondContact O-CG 3.47Å; N753-Q757 PolarHBondContact O-N 2.94Å
754I50.8Low45.8Very low21 Ų2188.8 Ų88.811%0.10844%0.436CS..Hα-helixtrans-58.6-50.9177.8-79.3166.9000111.3K312 V315 N750 L751 Q757 I758K312-I754 HydrophobicContact CG-CD1 4.28Å; V315-I754 HydrophobicContact CG1-CB 4.48Å; V315-I754 HydrophobicContact CG1-CG1 4.13Å; V315-I754 HydrophobicContact CG1-CG2 3.79Å; V315-I754 HydrophobicContact CG2-CG2 3.98Å; N750-I754 WeakPolarHBondContact O-CG1 3.46Å; N750-I754 PolarHBondContact O-N 2.88Å; L751-I754 HydrophobicContact CD2-CD1 4.42Å; L751-I754 WeakPolarHBondContact O-CB 3.47Å; L751-I754 PolarHBondContact O-N 2.91Å; I754-Q757 PolarHBondContact O-N 2.95Å; I754-I758 HydrophobicContact CG2-CD1 4.11Å; I754-I758 WeakPolarHBondContact O-CG1 3.2Å; I754-I758 PolarHBondContact O-N 2.7Å; I754-I758 VanDerWaalsContact O-N 3.14Å
755F53.8Low46.7Very low12 Ų1286.9 Ų86.95%0.05343%0.428CS..Hα-helixtrans-76.8-31-177.1-69.3-71.6000113.6E342 V345 N376 Y380 L751 Q757 I758 A759E342-F755 WeakPolarHBondContact OE2-CE2 3.42Å; E342-F755 VanDerWaalsContact OE2-CZ 3.24Å; E342-F755 WeakPolarHBondContact OE2-CZ 3.19Å; V345-F755 HydrophobicContact CG1-CE1 3.79Å; V345-F755 HydrophobicContact CG1-CZ 4.1Å; N376-F755 HydrophobicContact CB-CD1 4.44Å; N376-F755 HydrophobicContact CB-CG 4.5Å; N376-F755 WeakPolarHBondContact ND2-CD2 3.38Å; N376-F755 WeakPolarHBondContact ND2-CG 3.35Å; Y380-F755 AromaticContact CE2-CD1 3.97Å; Y380-F755 HydrophobicContact CE2-CD1 3.97Å; Y380-F755 HydrophobicContact CE2-CE1 4.33Å; L751-F755 WeakPolarHBondContact O-CD2 3.46Å; L751-F755 PolarHBondContact O-N 3.29Å; F755-Q757 VanDerWaalsContact C-N 3.34Å; F755-I758 HydrophobicContact CD1-CD1 4.22Å; F755-I758 PolarHBondContact O-N 2.77Å; F755-A759 WeakPolarHBondContact O-CB 3.36Å; F755-A759 PolarHBondContact O-N 2.99Å
756N55Low47.1Very low84 Ų8479.7 Ų79.745%0.44941%0.408SS..Hα-helixtrans-60.6-44.7170.6-72.5-15.5000110.9L752 A759 E760L752-N756 WeakPolarHBondContact O-CB 3.38Å; L752-N756 PolarHBondContact O-N 3.48Å; L752-N756 PolarHBondContact O-ND2 2.67Å; N756-A759 PolarHBondContact O-N 3Å; N756-E760 WeakPolarHBondContact O-CG 3.46Å; N756-E760 PolarHBondContact O-N 3Å
757Q52.8Low47.4Very low84 Ų8479.7 Ų79.739%0.39341%0.408SS..Hα-helixtrans-66.4-36.7178.7-72.9170.4000113.1K319 N753 I754 F755 E760 F761K319-Q757 VanDerWaalsContact CE-OE1 3.31Å; N753-Q757 WeakPolarHBondContact O-CB 3.38Å; N753-Q757 WeakPolarHBondContact O-CG 3.47Å; N753-Q757 PolarHBondContact O-N 2.94Å; I754-Q757 PolarHBondContact O-N 2.95Å; F755-Q757 VanDerWaalsContact C-N 3.34Å; Q757-E760 PolarHBondContact O-N 2.69Å; Q757-F761 PolarHBondContact O-N 2.87Å
758I56.2Low47.4Very low5 Ų582.1 Ų82.13%0.02641%0.414CS..Hα-helixtrans-63.6-45.6172.8-67.6165.5000110.1F318 Y380 I754 F755 E760 F761 E762F318-I758 HydrophobicContact CD1-CG1 4.39Å; F318-I758 HydrophobicContact CE1-CG1 4.38Å; F318-I758 HydrophobicContact CE1-CG2 4.23Å; Y380-I758 WeakPolarHBondContact OH-CG2 3.47Å; I754-I758 HydrophobicContact CG2-CD1 4.11Å; I754-I758 WeakPolarHBondContact O-CG1 3.2Å; I754-I758 PolarHBondContact O-N 2.7Å; I754-I758 VanDerWaalsContact O-N 3.14Å; F755-I758 HydrophobicContact CD1-CD1 4.22Å; F755-I758 PolarHBondContact O-N 2.77Å; I758-E760 VanDerWaalsContact C-N 3.29Å; I758-E760 PolarHBondContact O-N 3.1Å; I758-F761 PolarHBondContact O-N 3.42Å; I758-E762 WeakPolarHBondContact O-CG 3.41Å; I758-E762 PolarHBondContact O-N 3.37Å
759A53.4Low47.2Very low22 Ų2282.9 Ų82.918%0.18242%0.421CS..Hα-helixtrans-68-24.3178.200000113.9F755 N756 K763F755-A759 WeakPolarHBondContact O-CB 3.36Å; F755-A759 PolarHBondContact O-N 2.99Å; N756-A759 PolarHBondContact O-N 3Å; A759-K763 VanDerWaalsContact O-CG 3.31Å; A759-K763 WeakPolarHBondContact O-CG 3.5Å; A759-K763 PolarHBondContact O-N 3.27Å
760E50.6Low47.2Very low114 Ų11483.4 Ų83.453%0.53342%0.421SS..Hα-helixtrans-74-43.8170.8-75.6169.4163.100111.5N756 Q757 I758 E762 K763 E764N756-E760 WeakPolarHBondContact O-CG 3.46Å; N756-E760 PolarHBondContact O-N 3Å; Q757-E760 PolarHBondContact O-N 2.69Å; I758-E760 VanDerWaalsContact C-N 3.29Å; I758-E760 PolarHBondContact O-N 3.1Å; E760-E762 VanDerWaalsContact C-N 3.32Å; E760-E762 PolarHBondContact O-N 3.46Å; E760-K763 WeakPolarHBondContact O-CB 3.15Å; E760-K763 PolarHBondContact O-N 3.2Å; E760-E764 PolarHBondContact O-N 2.85Å
761F48.9Very low46.5Very low81 Ų8189.4 Ų89.436%0.35545%0.453SS..Hα-helixtrans-61.8-38174.9-172.9-103.3000112.5F318 Q757 I758 E764 K765F318-F761 HydrophobicContact CE1-CD1 4.4Å; Q757-F761 PolarHBondContact O-N 2.87Å; I758-F761 PolarHBondContact O-N 3.42Å; F761-E764 PolarHBondContact O-N 2.96Å; F761-K765 PolarHBondContact O-N 3.3Å; F761-K765 VanDerWaalsContact O-N 3.08Å
762E53.7Low46.5Very low56 Ų5692.8 Ų92.826%0.26247%0.47SS..Hα-helixtrans-61.8-43.7172.7-73.2170.616700112.3I758 E760 K765 G766I758-E762 WeakPolarHBondContact O-CG 3.41Å; I758-E762 PolarHBondContact O-N 3.37Å; E760-E762 VanDerWaalsContact C-N 3.32Å; E760-E762 PolarHBondContact O-N 3.46Å; E762-K765 PolarHBondContact O-N 3.11Å; E762-G766 PolarHBondContact O-N 3.02Å
763K51Low46.6Very low146 Ų14692.7 Ų92.764%0.63547%0.469SS*.Hα-helixtrans-62.6-43.6175.4-73.5168.1-178.41750112.2A759 E760 K765 G766 N767A759-K763 VanDerWaalsContact O-CG 3.31Å; A759-K763 WeakPolarHBondContact O-CG 3.5Å; A759-K763 PolarHBondContact O-N 3.27Å; E760-K763 WeakPolarHBondContact O-CB 3.15Å; E760-K763 PolarHBondContact O-N 3.2Å; K763-K765 VanDerWaalsContact C-N 3.27Å; K763-K765 PolarHBondContact O-N 2.64Å; K763-G766 PolarHBondContact O-N 2.94Å; K763-N767 PolarHBondContact O-N 3.47Å; K763-N767 VanDerWaalsContact O-N 3.15Å
764E40.3Very low46.5Very low108 Ų10893.1 Ų93.151%0.50547%0.469SS..Hα-helixtrans-60.5-38.1175.6-82.3-154.7-164.800112.6E760 F761 N767 K768E760-E764 PolarHBondContact O-N 2.85Å; F761-E764 PolarHBondContact O-N 2.96Å; E764-N767 PolarHBondContact O-N 3.02Å; E764-K768 WeakPolarHBondContact O-CG 3.48Å; E764-K768 PolarHBondContact O-N 3.1Å; E764-K768 IonicContact OE2-NZ 3.19Å; E764-K768 PolarHBondContact OE2-NZ 3.22Å
765K47.9Very low46.2Very low116 Ų11697.3 Ų97.350%0.50449%0.49SS..Hα-helixtrans-69.6-41.6178.7-158.5176.8-177.5-174.40111.4F761 E762 K763 N767 K768F761-K765 PolarHBondContact O-N 3.3Å; F761-K765 VanDerWaalsContact O-N 3.08Å; E762-K765 PolarHBondContact O-N 3.11Å; K763-K765 VanDerWaalsContact C-N 3.27Å; K763-K765 PolarHBondContact O-N 2.64Å; K765-N767 VanDerWaalsContact C-N 3.27Å; K765-N767 PolarHBondContact O-N 2.91Å; K765-K768 PolarHBondContact O-N 3.2Å; K765-K768 VanDerWaalsContact O-N 3.1Å
766G40.4Very low45.8Very low39 Ų39102.6 Ų102.640%0.40252%0.518SS..Hα-helixtrans-64.4-25.3175.800000114.8E762 K763 S769E762-G766 PolarHBondContact O-N 3.02Å; K763-G766 PolarHBondContact O-N 2.94Å; G766-S769 PolarHBondContact O-OG 3.35Å
767N38.3Very low45.2Very low130 Ų130103.9 Ų103.970%0.69552%0.522SS*.Hα-helixtrans-81.3-19173-75.3-15.9000113.5K763 E764 K765K763-N767 PolarHBondContact O-N 3.47Å; K763-N767 VanDerWaalsContact O-N 3.15Å; E764-N767 PolarHBondContact O-N 3.02Å; K765-N767 VanDerWaalsContact C-N 3.27Å; K765-N767 PolarHBondContact O-N 2.91Å
768K37.1Very low44.6Very low156 Ų156105.3 Ų105.368%0.67853%0.531SS*.Hα-helixtrans-89.8-6-178.6-72.6166.8-173.2157.60113.7E764 K765E764-K768 WeakPolarHBondContact O-CG 3.48Å; E764-K768 PolarHBondContact O-N 3.1Å; E764-K768 IonicContact OE2-NZ 3.19Å; E764-K768 PolarHBondContact OE2-NZ 3.22Å; K765-K768 PolarHBondContact O-N 3.2Å; K765-K768 VanDerWaalsContact O-N 3.1Å
769S34.7Very low43.7Very low95 Ų95113 Ų11366%0.66457%0.57SS**THydrogen-bonded Turntrans-9818.6173.458.10000114.1G766G766-S769 PolarHBondContact O-OG 3.35Å
770K39.8Very low42.9Very low171 Ų171120.6 Ų120.674%0.74360%0.603SS**  trans-13569.1175.4-69.8-174179.9177.20111.9
771N32.3Very low42.2Very low235 Ų235121.2 Ų121.2100%1.25761%0.609SS**  trans-156.80158.5-86.6-42.2000108.1

Retrieved 771 of 771 residues in 402.7 ms (Link to these results)

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