A0A087WVM4_HUMAN Loading...

Monofunctional C1-tetrahydrofolate synthase, mitochondrial

May provide the missing metabolic reaction required to link the mitochondria and the cytoplasm in the mammalian model of one-carbon folate metabolism complementing thus the enzymatic activities of MTHFD2.

AlphaFold DB , UniProt , Accession A0A087WVM4, Species HUMAN (Homo sapiens, Human), Gene MTHFD1L, Length 913 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
1M36.7Very low59.6Low199 Ų199119.4 Ų119.498%0.9854%0.54SS*.  0-41.60-91.4172.7153.100113S3 R4M1-S3 VanDerWaalsContact C-N 3.35Å; M1-S3 PolarHBondContact O-N 3.03Å; M1-R4 PolarHBondContact O-N 2.83Å
2Q31.2Very low62.1Low178 Ų178109.9 Ų109.983%0.83250%0.498SS*.Hα-helixtrans-58.2-33178.4-79.9173.5-18.300115.3R4Q2-R4 PolarHBondContact O-N 3.14Å
3S41.8Very low64.3Low107 Ų107101.6 Ų101.675%0.74846%0.461SS*.Hα-helixtrans-77.3-16.1179.390.60000115.2M1M1-S3 VanDerWaalsContact C-N 3.35Å; M1-S3 PolarHBondContact O-N 3.03Å
4R47.5Very low66.2Low210 Ų210100.9 Ų100.979%0.79246%0.458SS*.Hα-helixtrans-84.8-30.6175.2-80.7-171.8177.5-174.4-0.8112.2M1 Q2M1-R4 PolarHBondContact O-N 2.83Å; Q2-R4 PolarHBondContact O-N 3.14Å
5R49.2Very low67.9Low85 Ų8598.8 Ų98.832%0.32145%0.453SS..Hα-helixtrans-74.9-33.9-179.5-68.4-175.7176.6-173.1-6.3113.6R7 P8 L247 E249 D252R5-R7 VanDerWaalsContact C-N 3.29Å; R5-R7 PolarHBondContact O-N 2.7Å; R5-P8 WeakPolarHBondContact O-CD 3.46Å; R5-L247 PolarHBondContact NH2-O 2.84Å; R5-E249 IonicContact NH1-OE1 3.99Å; R5-D252 IonicContact NH1-OD2 3.91Å
6A53.9Low69.5Low32 Ų3292.8 Ų92.826%0.26443%0.426SS..THydrogen-bonded Turntrans-78.5-4.1178.400000115.2R10A6-R10 WeakPolarHBondContact O-CG 3.35Å; A6-R10 PolarHBondContact O-N 2.78Å
7R65.9Low70.9Confident182 Ų18292.4 Ų92.469%0.68742%0.422SS*.Hα-helixtrans-70.8-45.8-172.9-164.4179.4-175.6-175.11.8113.5R5 R9 E11R5-R7 VanDerWaalsContact C-N 3.29Å; R5-R7 PolarHBondContact O-N 2.7Å; R7-R9 PolarHBondContact O-N 3.29Å; R7-E11 WeakPolarHBondContact O-CB 3.38Å; R7-E11 PolarHBondContact O-N 2.85Å; R7-E11 VanDerWaalsContact O-N 3.13Å
8P75.8Confident72.1Confident9 Ų992.7 Ų92.76%0.05842%0.424CS..Hα-helixtrans-64-42.9-178-22.234.7000112.9R5 E11 V12 L256R5-P8 WeakPolarHBondContact O-CD 3.46Å; P8-E11 PolarHBondContact O-N 3.07Å; P8-V12 WeakPolarHBondContact O-CG2 3.49Å; P8-V12 PolarHBondContact O-N 3.01Å; P8-L256 HydrophobicContact CB-CD1 4.22Å
9R83.7Confident73.2Confident63 Ų6390.5 Ų90.524%0.23842%0.418CS..Hα-helixtrans-59-51.5178.3-171.9-158.379.4-167.111112.1R7 E11 V12 I13 L256 A259R7-R9 PolarHBondContact O-N 3.29Å; R9-E11 VanDerWaalsContact C-N 3.29Å; R9-E11 PolarHBondContact O-N 2.73Å; R9-V12 PolarHBondContact O-N 3.01Å; R9-I13 PolarHBondContact O-N 3.1Å; R9-L256 HydrophobicContact CB-CD1 4.45Å; R9-A259 HydrophobicContact CG-CB 3.9Å
10R83.4Confident74.1Confident153 Ų15386.1 Ų86.158%0.57740%0.398SS*.Hα-helixtrans-60.9-40.1-179.7-73.4-179.1-179.8-177.2-0.3111.6A6 Q14A6-R10 WeakPolarHBondContact O-CG 3.35Å; A6-R10 PolarHBondContact O-N 2.78Å; R10-Q14 WeakPolarHBondContact O-CB 3.41Å; R10-Q14 PolarHBondContact O-N 2.94Å
11E86.2Confident74.9Confident95 Ų9584.2 Ų84.244%0.44440%0.395SS..Hα-helixtrans-63.7-44.7176.4-172.2-178.4168.700111.9R7 P8 R9 N15R7-E11 WeakPolarHBondContact O-CB 3.38Å; R7-E11 PolarHBondContact O-N 2.85Å; R7-E11 VanDerWaalsContact O-N 3.13Å; P8-E11 PolarHBondContact O-N 3.07Å; R9-E11 VanDerWaalsContact C-N 3.29Å; R9-E11 PolarHBondContact O-N 2.73Å; E11-N15 VanDerWaalsContact O-CB 3.3Å; E11-N15 WeakPolarHBondContact O-CB 3.32Å; E11-N15 PolarHBondContact O-N 3.49Å; E11-N15 PolarHBondContact O-ND2 3.1Å
12V89.6Confident77.6Confident6 Ų679.4 Ų79.44%0.03637%0.373CS..Hα-helixtrans-61-46.3177.3171.40000111.7P8 R9 S16 L256 A259 L260 Q263P8-V12 WeakPolarHBondContact O-CG2 3.49Å; P8-V12 PolarHBondContact O-N 3.01Å; R9-V12 PolarHBondContact O-N 3.01Å; V12-S16 WeakPolarHBondContact O-CB 3.49Å; V12-S16 PolarHBondContact O-N 3.33Å; V12-S16 PolarHBondContact O-OG 2.96Å; V12-L256 HydrophobicContact CG2-CD1 4.33Å; V12-A259 HydrophobicContact CB-CB 4.37Å; V12-A259 HydrophobicContact CG1-CB 4.02Å; V12-A259 WeakPolarHBondContact CG1-O 3.43Å; V12-L260 HydrophobicContact CG1-CD2 4.1Å; V12-L260 HydrophobicContact CG2-CD2 4.04Å; V12-Q263 HydrophobicContact CG1-CB 3.97Å
13I91.5Very high80.4Confident2 Ų272.1 Ų72.11%0.0134%0.339CS..Hα-helixtrans-68.3-45.2-179.7-66.6-62.6000111.3R9 N15 S16 K17 L52 E55 A56 A259 I262R9-I13 PolarHBondContact O-N 3.1Å; I13-N15 PolarHBondContact O-N 3.39Å; I13-S16 PolarHBondContact O-N 3.13Å; I13-S16 VanDerWaalsContact O-N 3.15Å; I13-K17 WeakPolarHBondContact O-CB 3.42Å; I13-K17 PolarHBondContact O-N 3.27Å; I13-L52 HydrophobicContact CD1-CB 4.24Å; I13-L52 HydrophobicContact CD1-CD2 4.26Å; I13-L52 HydrophobicContact CG1-CD2 4.15Å; I13-E55 HydrophobicContact CG2-CB 4.02Å; I13-E55 HydrophobicContact CG2-CG 3.67Å; I13-A56 HydrophobicContact CG2-CB 4.27Å; I13-A259 HydrophobicContact CD1-CB 3.76Å; I13-A259 HydrophobicContact CG1-CB 3.9Å; I13-I262 HydrophobicContact CD1-CB 4.33Å; I13-I262 HydrophobicContact CD1-CD1 3.79Å; I13-I262 HydrophobicContact CD1-CG2 4.32Å
14Q90.6Very high82.7Confident92 Ų9270.1 Ų70.143%0.4332%0.318SS..Hα-helixtrans-60.3-46.2178.4-177.359.235.200111.4R10 S16 K17 E18R10-Q14 WeakPolarHBondContact O-CB 3.41Å; R10-Q14 PolarHBondContact O-N 2.94Å; Q14-S16 VanDerWaalsContact C-N 3.32Å; Q14-S16 PolarHBondContact O-N 3.47Å; Q14-K17 WeakPolarHBondContact O-CB 3.47Å; Q14-K17 PolarHBondContact O-N 3.23Å; Q14-E18 PolarHBondContact NE2-OE1 3.07Å; Q14-E18 WeakPolarHBondContact O-CG 3.49Å; Q14-E18 PolarHBondContact O-N 3.34Å
15N91.9Very high84.7Confident69 Ų6967 Ų6737%0.36931%0.312SS..Hα-helixtrans-61.6-40.6175.1-71.9-21.2000111.9E11 I13 K17 E18 V19E11-N15 VanDerWaalsContact O-CB 3.3Å; E11-N15 WeakPolarHBondContact O-CB 3.32Å; E11-N15 PolarHBondContact O-N 3.49Å; E11-N15 PolarHBondContact O-ND2 3.1Å; I13-N15 PolarHBondContact O-N 3.39Å; N15-K17 VanDerWaalsContact C-N 3.35Å; N15-E18 PolarHBondContact O-N 3.4Å; N15-V19 VanDerWaalsContact O-CG2 3.28Å; N15-V19 WeakPolarHBondContact O-CG2 3.37Å; N15-V19 PolarHBondContact O-N 3.03Å
16S92.8Very high86.4Confident3 Ų370.9 Ų70.92%0.02133%0.332CS..Hα-helixtrans-65-40.4178.5-60.60000111.5V12 I13 Q14 L20V12-S16 WeakPolarHBondContact O-CB 3.49Å; V12-S16 PolarHBondContact O-N 3.33Å; V12-S16 PolarHBondContact O-OG 2.96Å; I13-S16 PolarHBondContact O-N 3.13Å; I13-S16 VanDerWaalsContact O-N 3.15Å; Q14-S16 VanDerWaalsContact C-N 3.32Å; Q14-S16 PolarHBondContact O-N 3.47Å; S16-L20 WeakPolarHBondContact O-CB 3.45Å; S16-L20 PolarHBondContact O-N 2.69Å
17K93.6Very high87.9Confident85 Ų8572 Ų7237%0.3733%0.333SS..Hα-helixtrans-61.4-50.1175.1-174.4177.3-168.2151.80111.9I13 Q14 N15 V19 L20 S21 E55I13-K17 WeakPolarHBondContact O-CB 3.42Å; I13-K17 PolarHBondContact O-N 3.27Å; Q14-K17 WeakPolarHBondContact O-CB 3.47Å; Q14-K17 PolarHBondContact O-N 3.23Å; N15-K17 VanDerWaalsContact C-N 3.35Å; K17-V19 PolarHBondContact O-N 2.75Å; K17-L20 PolarHBondContact O-N 2.8Å; K17-S21 PolarHBondContact O-N 3.28Å; K17-S21 PolarHBondContact O-OG 3.24Å; K17-S21 VanDerWaalsContact O-OG 3.11Å; K17-E55 WeakPolarHBondContact CD-O 3.42Å; K17-E55 PolarHBondContact NZ-O 2.93Å; K17-E55 VanDerWaalsContact NZ-O 3.13Å
18E93.1Very high88.8Confident99 Ų9968.6 Ų68.646%0.46333%0.334SS..Hα-helixtrans-59.9-46.2178.9-73.4172.4-163.600111.9Q14 N15 L20 S21 L22Q14-E18 PolarHBondContact NE2-OE1 3.07Å; Q14-E18 WeakPolarHBondContact O-CG 3.49Å; Q14-E18 PolarHBondContact O-N 3.34Å; N15-E18 PolarHBondContact O-N 3.4Å; E18-L20 VanDerWaalsContact C-N 3.34Å; E18-L20 PolarHBondContact O-N 3.28Å; E18-S21 PolarHBondContact O-N 2.78Å; E18-L22 VanDerWaalsContact O-CG 3.31Å; E18-L22 WeakPolarHBondContact O-CG 3.44Å; E18-L22 PolarHBondContact O-N 2.98Å
19V92.2Very high89.1Confident51 Ų5172.6 Ų72.631%0.30937%0.369SS..Hα-helixtrans-62.7-43.3176.4173.70000110.9N15 K17 L22 L23 V266N15-V19 VanDerWaalsContact O-CG2 3.28Å; N15-V19 WeakPolarHBondContact O-CG2 3.37Å; N15-V19 PolarHBondContact O-N 3.03Å; K17-V19 PolarHBondContact O-N 2.75Å; V19-L22 PolarHBondContact O-N 3.06Å; V19-L23 HydrophobicContact CG1-CD1 4.12Å; V19-L23 VanDerWaalsContact O-CG 3.29Å; V19-L23 WeakPolarHBondContact O-CG 3.25Å; V19-L23 PolarHBondContact O-N 2.76Å; V19-L23 VanDerWaalsContact O-N 3.07Å; V19-V266 HydrophobicContact CB-CG1 4.02Å; V19-V266 HydrophobicContact CG1-CG1 3.58Å
20L91.5Very high89.2Confident1 Ų170.1 Ų70.11%0.00536%0.36CS..Hα-helixtrans-63.6-45.6179.5179.757.3000111.8S16 K17 E18 L22 L23 Q24 F30 P32 G57 L58 V266S16-L20 WeakPolarHBondContact O-CB 3.45Å; S16-L20 PolarHBondContact O-N 2.69Å; K17-L20 PolarHBondContact O-N 2.8Å; E18-L20 VanDerWaalsContact C-N 3.34Å; E18-L20 PolarHBondContact O-N 3.28Å; L20-L22 VanDerWaalsContact C-N 3.35Å; L20-L22 PolarHBondContact O-N 3.47Å; L20-L23 PolarHBondContact O-N 2.88Å; L20-L23 VanDerWaalsContact O-N 3.14Å; L20-Q24 HydrophobicContact CD1-CG 4.22Å; L20-Q24 WeakPolarHBondContact O-CG 3.47Å; L20-Q24 PolarHBondContact O-N 2.98Å; L20-F30 HydrophobicContact CD1-CE1 4.15Å; L20-P32 HydrophobicContact CD1-CG 3.38Å; L20-G57 WeakPolarHBondContact CD2-O 2.95Å; L20-L58 HydrophobicContact CD2-CB 4.36Å; L20-V266 HydrophobicContact CB-CG2 4.31Å
21S91.5Very high89.5Confident48 Ų4869.5 Ų69.534%0.33636%0.361SS..Hα-helixtrans-58.4-44.9175.7-620000111.7K17 E18 L23 Q24 E25K17-S21 PolarHBondContact O-N 3.28Å; K17-S21 PolarHBondContact O-OG 3.24Å; K17-S21 VanDerWaalsContact O-OG 3.11Å; E18-S21 PolarHBondContact O-N 2.78Å; S21-L23 VanDerWaalsContact C-N 3.3Å; S21-L23 PolarHBondContact O-N 3.05Å; S21-Q24 PolarHBondContact O-N 3.47Å; S21-E25 WeakPolarHBondContact O-CG 3.37Å; S21-E25 PolarHBondContact O-N 2.95Å
22L92.1Very high89.6Confident98 Ų9865.1 Ų65.151%0.51334%0.341SS..Hα-helixtrans-61.6-35.8176.1-72.5169.7000113.2E18 V19 L20 K26E18-L22 VanDerWaalsContact O-CG 3.31Å; E18-L22 WeakPolarHBondContact O-CG 3.44Å; E18-L22 PolarHBondContact O-N 2.98Å; V19-L22 PolarHBondContact O-N 3.06Å; L20-L22 VanDerWaalsContact C-N 3.35Å; L20-L22 PolarHBondContact O-N 3.47Å; L22-K26 WeakPolarHBondContact O-CG 3.46Å; L22-K26 PolarHBondContact O-N 3.46Å
23L89.9Confident89.8Confident25 Ų2565.7 Ų65.713%0.13134%0.344CS..Hα-helixtrans-70.4-40176.7-67.9172000111.7V19 L20 S21 K26 N27 F30 R270 L273V19-L23 HydrophobicContact CG1-CD1 4.12Å; V19-L23 VanDerWaalsContact O-CG 3.29Å; V19-L23 WeakPolarHBondContact O-CG 3.25Å; V19-L23 PolarHBondContact O-N 2.76Å; V19-L23 VanDerWaalsContact O-N 3.07Å; L20-L23 PolarHBondContact O-N 2.88Å; L20-L23 VanDerWaalsContact O-N 3.14Å; S21-L23 VanDerWaalsContact C-N 3.3Å; S21-L23 PolarHBondContact O-N 3.05Å; L23-K26 PolarHBondContact O-N 2.95Å; L23-N27 WeakPolarHBondContact O-CB 3.34Å; L23-N27 PolarHBondContact O-N 3.49Å; L23-N27 PolarHBondContact O-ND2 2.83Å; L23-N27 VanDerWaalsContact O-ND2 3.08Å; L23-F30 HydrophobicContact CB-CD1 4.2Å; L23-F30 HydrophobicContact CB-CE1 4.14Å; L23-F30 HydrophobicContact CD1-CE1 4.38Å; L23-R270 HydrophobicContact CD1-CB 3.89Å; L23-R270 HydrophobicContact CD1-CG 4.37Å; L23-R270 HydrophobicContact CD2-CG 4.23Å; L23-L273 HydrophobicContact CB-CD1 3.96Å; L23-L273 HydrophobicContact CD1-CD1 4.39Å; L23-L273 HydrophobicContact CD2-CD1 3.85Å; L23-L273 HydrophobicContact CG-CD1 4.27Å
24Q89.9Confident89.9Confident64 Ų6465.6 Ų65.630%0.29934%0.344SS..Hα-helixtrans-69.9-38.2177.8-71.8172.9-31.300112.4L20 S21 K26 N27 P28 F30L20-Q24 HydrophobicContact CD1-CG 4.22Å; L20-Q24 WeakPolarHBondContact O-CG 3.47Å; L20-Q24 PolarHBondContact O-N 2.98Å; S21-Q24 PolarHBondContact O-N 3.47Å; Q24-K26 VanDerWaalsContact C-N 3.32Å; Q24-K26 PolarHBondContact O-N 3.4Å; Q24-N27 CarbonylContact O-C 3.55Å; Q24-N27 PolarHBondContact O-N 3.44Å; Q24-P28 VanDerWaalsContact O-CA 3.31Å; Q24-P28 WeakPolarHBondContact O-CA 3.32Å; Q24-P28 VanDerWaalsContact O-N 3.12Å; Q24-F30 HydrophobicContact CG-CD1 4.39Å
25E89.6Confident90.2Very high144 Ų14461.2 Ų61.267%0.67332%0.323SS*.Hα-helixtrans-60.1-42.7173.4-77.6174.9-175.800111.7S21 N27S21-E25 WeakPolarHBondContact O-CG 3.37Å; S21-E25 PolarHBondContact O-N 2.95Å; E25-N27 VanDerWaalsContact C-N 3.35Å
26K85.4Confident90.2Very high168 Ų16858 Ų5873%0.7331%0.306SS*.Hα-helixtrans-74.4-25.5176.6-70.3-178.5-179.6-177.60113.2L22 L23 Q24L22-K26 WeakPolarHBondContact O-CG 3.46Å; L22-K26 PolarHBondContact O-N 3.46Å; L23-K26 PolarHBondContact O-N 2.95Å; Q24-K26 VanDerWaalsContact C-N 3.32Å; Q24-K26 PolarHBondContact O-N 3.4Å
27N85.1Confident90.1Very high55 Ų5557.9 Ų57.929%0.29431%0.305SS..  trans-138.681.1-176.1-53.8-90.1000109.7L23 Q24 E25 A29 F30 L273L23-N27 WeakPolarHBondContact O-CB 3.34Å; L23-N27 PolarHBondContact O-N 3.49Å; L23-N27 PolarHBondContact O-ND2 2.83Å; L23-N27 VanDerWaalsContact O-ND2 3.08Å; Q24-N27 CarbonylContact O-C 3.55Å; Q24-N27 PolarHBondContact O-N 3.44Å; E25-N27 VanDerWaalsContact C-N 3.35Å; N27-A29 PolarHBondContact O-N 2.96Å; N27-F30 HydrophobicContact CB-CB 3.77Å; N27-F30 WeakPolarHBondContact O-CB 3.2Å; N27-F30 PolarHBondContact O-N 3.06Å; N27-L273 HydrophobicContact CB-CD2 4.13Å
28P84.6Confident89.9Confident110 Ų11054.1 Ų54.171%0.71429%0.289SS*.THydrogen-bonded Turntrans-60.3-23.5-173.8-27.936.2000114.8Q24 F30Q24-P28 VanDerWaalsContact O-CA 3.31Å; Q24-P28 WeakPolarHBondContact O-CA 3.32Å; Q24-P28 VanDerWaalsContact O-N 3.12Å; P28-F30 VanDerWaalsContact C-N 3.33Å
29A82.2Confident89.4Confident94 Ų9449.8 Ų49.878%0.77727%0.27SS*.THydrogen-bonded Turntrans-77.5-16.3175.300000113.5N27 K31N27-A29 PolarHBondContact O-N 2.96Å; A29-K31 PolarHBondContact O-N 3.08Å
30F87.4Confident88.5Confident11 Ų1148.4 Ų48.45%0.04827%0.266CS..  trans-75.5106.3-177.1177.2-115.3000111L20 L23 Q24 N27 P28 P32 H88 W272 L273L20-F30 HydrophobicContact CD1-CE1 4.15Å; L23-F30 HydrophobicContact CB-CD1 4.2Å; L23-F30 HydrophobicContact CB-CE1 4.14Å; L23-F30 HydrophobicContact CD1-CE1 4.38Å; Q24-F30 HydrophobicContact CG-CD1 4.39Å; N27-F30 HydrophobicContact CB-CB 3.77Å; N27-F30 WeakPolarHBondContact O-CB 3.2Å; N27-F30 PolarHBondContact O-N 3.06Å; P28-F30 VanDerWaalsContact C-N 3.33Å; F30-P32 HydrophobicContact CD1-CG 4.34Å; F30-P32 HydrophobicContact CE1-CB 4.17Å; F30-P32 HydrophobicContact CE1-CG 3.64Å; F30-P32 HydrophobicContact CE2-CB 4.14Å; F30-P32 HydrophobicContact CE2-CG 4.41Å; F30-P32 HydrophobicContact CZ-CB 3.66Å; F30-P32 HydrophobicContact CZ-CG 3.67Å; F30-H88 AromaticContact CD2-NE2 3.85Å; F30-H88 AromaticContact CE2-CD2 3.64Å; F30-H88 AromaticContact CE2-NE2 3.42Å; F30-H88 WeakPolarHBondContact CE2-NE2 3.37Å; F30-W272 AromaticContact CD2-CE3 3.96Å; F30-W272 HydrophobicContact CD2-CE3 3.96Å; F30-W272 AromaticContact CD2-CZ3 3.7Å; F30-W272 HydrophobicContact CD2-CZ3 3.7Å; F30-W272 AromaticContact CE2-CE3 3.82Å; F30-W272 HydrophobicContact CE2-CE3 3.82Å; F30-W272 HydrophobicContact CE2-CZ3 4.06Å; F30-L273 HydrophobicContact CB-CD2 4.18Å; F30-L273 HydrophobicContact CD1-CD1 3.67Å; F30-L273 HydrophobicContact CD1-CG 4.38Å; F30-L273 HydrophobicContact CD2-CD1 4.13Å; F30-L273 HydrophobicContact CD2-CD2 3.89Å; F30-L273 HydrophobicContact CD2-CG 3.93Å; F30-L273 HydrophobicContact CE1-CD1 3.76Å; F30-L273 HydrophobicContact CE1-CG 4.46Å; F30-L273 HydrophobicContact CE2-CD1 4.2Å; F30-L273 HydrophobicContact CE2-CD2 4.45Å; F30-L273 HydrophobicContact CE2-CG 4.01Å; F30-L273 HydrophobicContact CG-CD1 3.86Å; F30-L273 HydrophobicContact CG-CD2 3.98Å; F30-L273 HydrophobicContact CG-CG 4.12Å; F30-L273 HydrophobicContact CZ-CD1 4.03Å; F30-L273 HydrophobicContact CZ-CG 4.29Å
31K87.9Confident87.1Confident139 Ų13955.2 Ų55.260%0.60430%0.302SS*.  trans-121.487.4176.6-64.5-177.3-178-178.40108.9A29 V33A29-K31 PolarHBondContact O-N 3.08Å; K31-V33 PolarHBondContact O-N 2.66Å
32P89.2Confident85.8Confident3 Ų353.8 Ų53.82%0.01929%0.291CS..  trans-65.8135.5-176.620.9-26.4000111.4L20 F30 L58 N59 M265L20-P32 HydrophobicContact CD1-CG 3.38Å; F30-P32 HydrophobicContact CD1-CG 4.34Å; F30-P32 HydrophobicContact CE1-CB 4.17Å; F30-P32 HydrophobicContact CE1-CG 3.64Å; F30-P32 HydrophobicContact CE2-CB 4.14Å; F30-P32 HydrophobicContact CE2-CG 4.41Å; F30-P32 HydrophobicContact CZ-CB 3.66Å; F30-P32 HydrophobicContact CZ-CG 3.67Å; P32-L58 HydrophobicContact CB-CD1 3.95Å; P32-L58 HydrophobicContact CG-CD1 3.97Å; P32-L58 WeakPolarHBondContact O-CD1 3.24Å; P32-N59 PolarHBondContact O-N 3.4Å; P32-M265 HydrophobicContact CB-CE 3.61Å
33V93.8Very high84.7Confident18 Ų1854 Ų5411%0.10929%0.293CS..EExtended strand (participates in β ladder)trans-119.6124.8176.2-178.70000109.8K31 N59 T61 R86 V87 H88 M265K31-V33 PolarHBondContact O-N 2.66Å; V33-N59 WeakPolarHBondContact CA-O 3.34Å; V33-N59 HydrophobicContact CG2-CB 3.99Å; V33-T61 WeakPolarHBondContact CG1-OG1 3.48Å; V33-R86 WeakPolarHBondContact CB-O 3.31Å; V33-V87 HydrophobicContact CB-CG2 4.48Å; V33-V87 HydrophobicContact CG1-CG2 4.32Å; V33-H88 PolarHBondContact O-N 3.39Å; V33-M265 WeakPolarHBondContact O-CE 3.48Å
34L94.4Very high83.8Confident1 Ų157.5 Ų57.51%0.00531%0.311CS..EExtended strand (participates in β ladder)trans-89.8120.3166.4173.359.5000108.6I36 L58 N59 I60 T61 A91 V113 R261 M265L34-I36 HydrophobicContact CD2-CD1 4.38Å; L34-I36 HydrophobicContact CD2-CG1 4.46Å; L34-I36 HydrophobicContact CG-CG1 4.19Å; L34-L58 HydrophobicContact CB-CD2 4.04Å; L34-L58 HydrophobicContact CD2-CD2 4.39Å; L34-N59 PolarHBondContact N-O 3.35Å; L34-I60 HydrophobicContact CB-CG1 4.4Å; L34-I60 HydrophobicContact CD2-CD1 4.29Å; L34-I60 HydrophobicContact CG-CG1 4.43Å; L34-I60 CarbonylContact O-C 3.5Å; L34-I60 VanDerWaalsContact O-CA 3.3Å; L34-I60 WeakPolarHBondContact O-CA 3.2Å; L34-I60 WeakPolarHBondContact O-CG1 3.46Å; L34-T61 PolarHBondContact O-N 2.92Å; L34-A91 HydrophobicContact CD1-CB 4.38Å; L34-V113 HydrophobicContact CD1-CG1 4.47Å; L34-V113 HydrophobicContact CD1-CG2 3.7Å; L34-R261 HydrophobicContact CD2-CG 4.47Å; L34-M265 HydrophobicContact CB-CE 4.4Å; L34-M265 HydrophobicContact CB-CG 4.09Å; L34-M265 HydrophobicContact CB-SD 4.17Å; L34-M265 HydrophobicContact CD1-SD 4.41Å
35A95.1Very high83.1Confident0 Ų055.1 Ų55.10%030%0.3CS..EExtended strand (participates in β ladder)trans-93.2136.717000000109.9T61 I81 V87 G89 L90 A91A35-T61 CarbonylContact C-O 3.55Å; A35-T61 WeakPolarHBondContact CA-O 3.46Å; A35-I81 HydrophobicContact CB-CG2 3.66Å; A35-V87 HydrophobicContact CB-CG1 3.71Å; A35-V87 HydrophobicContact CB-CG2 4.39Å; A35-G89 PolarHBondContact N-O 3.28Å; A35-L90 HydrophobicContact CB-CD1 3.94Å; A35-L90 WeakPolarHBondContact O-CA 3.35Å; A35-A91 PolarHBondContact O-N 3Å
36I92.6Very high82.5Confident2 Ų251 Ų511%0.0128%0.281CS..EExtended strand (participates in β ladder)trans-119.9116.4172-54.1-162.4000107.9L34 N49 I60 T61 I63 A91 Q93L34-I36 HydrophobicContact CD2-CD1 4.38Å; L34-I36 HydrophobicContact CD2-CG1 4.46Å; L34-I36 HydrophobicContact CG-CG1 4.19Å; I36-N49 HydrophobicContact CD1-CB 3.85Å; I36-N49 WeakPolarHBondContact CD1-ND2 3.34Å; I36-I60 HydrophobicContact CD1-CD1 3.71Å; I36-I60 HydrophobicContact CD1-CG1 4.41Å; I36-I60 HydrophobicContact CG1-CD1 4.15Å; I36-I60 HydrophobicContact CG1-CG1 4.31Å; I36-T61 PolarHBondContact N-O 2.85Å; I36-I63 PolarHBondContact O-N 3.15Å; I36-A91 WeakPolarHBondContact CA-O 3.37Å; I36-A91 HydrophobicContact CG1-CB 4.22Å; I36-Q93 HydrophobicContact CG2-CB 4.15Å
37I91.3Very high82.4Confident0 Ų048.6 Ų48.60%027%0.272CS..EExtended strand (participates in β ladder)trans-91.8117.9172.3-65.3172.2000107.5I63 L65 E77 I78 L90 A91 L92 Q93I37-I63 HydrophobicContact CG1-CB 4.33Å; I37-I63 HydrophobicContact CG1-CD1 4.03Å; I37-L65 HydrophobicContact CG2-CD1 3.74Å; I37-L65 HydrophobicContact CG2-CG 4.34Å; I37-E77 HydrophobicContact CD1-CB 4.21Å; I37-E77 HydrophobicContact CD1-CG 4.03Å; I37-E77 HydrophobicContact CG1-CG 4.35Å; I37-I78 HydrophobicContact CD1-CB 4.36Å; I37-I78 HydrophobicContact CD1-CG1 3.63Å; I37-L90 HydrophobicContact CD1-CD1 3.79Å; I37-L90 HydrophobicContact CD1-CD2 4.28Å; I37-L90 HydrophobicContact CG1-CD1 3.83Å; I37-A91 PolarHBondContact N-O 3.36Å; I37-L92 HydrophobicContact CB-CD2 4.12Å; I37-L92 HydrophobicContact CD1-CD2 4.4Å; I37-Q93 PolarHBondContact O-N 2.82Å
38Q88.5Confident82.3Confident6 Ų647.3 Ų47.33%0.02827%0.265CS..EExtended strand (participates in β ladder)trans-115.7130.8-178.3178.8175.4-28.300110.1G40 D42 I63 L65 Q93Q38-G40 PolarHBondContact NE2-O 3.07Å; Q38-D42 PolarHBondContact NE2-O 3.26Å; Q38-I63 PolarHBondContact N-O 2.93Å; Q38-L65 PolarHBondContact O-N 3.26Å; Q38-Q93 VanDerWaalsContact CA-O 3.31Å; Q38-Q93 WeakPolarHBondContact CA-O 3.46Å; Q38-Q93 HydrophobicContact CB-CB 4.34Å; Q38-Q93 HydrophobicContact CG-CB 4.45Å; Q38-Q93 HydrophobicContact CG-CG 4.45Å
39A83.4Confident82.2Confident7 Ų742.1 Ų42.16%0.05823%0.231CC..EExtended strand (participates in β ladder)trans-125.1102.6170.400000108.8L65 I74 Q93 I94A39-L65 HydrophobicContact CB-CB 4.41Å; A39-I74 HydrophobicContact CB-CD1 4.33Å; A39-Q93 PolarHBondContact N-O 3.5Å; A39-I94 HydrophobicContact CB-CB 4.4Å; A39-I94 HydrophobicContact CB-CG2 3.86Å
40G72.1Confident82.4Confident23 Ų2340.7 Ų40.724%0.23721%0.209CC..SBendtrans128.1170.6-175.800000114.4Q38 D42Q38-G40 PolarHBondContact NE2-O 3.07Å; G40-D42 PolarHBondContact O-N 3.03Å
41D62.1Low82.4Confident143 Ų14344.9 Ų44.977%0.76523%0.231SC*.SBendtrans-93.454.1-169.7-63.1-35.6000113.9
42D65.3Low82.4Confident18 Ų1838.7 Ų38.710%0.09621%0.205CC..  trans-10495.6174.7175.53000111.9Q38 G40 L44 M45 Q93 F230Q38-D42 PolarHBondContact NE2-O 3.26Å; G40-D42 PolarHBondContact O-N 3.03Å; D42-L44 PolarHBondContact OD1-N 2.77Å; D42-M45 PolarHBondContact OD1-N 2.91Å; D42-M45 WeakPolarHBondContact OD2-CB 3.35Å; D42-M45 VanDerWaalsContact OD2-CG 3.27Å; D42-M45 WeakPolarHBondContact OD2-CG 3.25Å; D42-Q93 PolarHBondContact OD2-NE2 3.45Å; D42-F230 HydrophobicContact CB-CD1 4.11Å; D42-F230 HydrophobicContact CB-CE1 3.7Å; D42-F230 HydrophobicContact CB-CE2 4.19Å; D42-F230 HydrophobicContact CB-CZ 3.81Å; D42-F230 VanDerWaalsContact OD1-CE1 3.24Å; D42-F230 WeakPolarHBondContact OD1-CE1 3.33Å; D42-F230 WeakPolarHBondContact OD1-CZ 3.41Å; D42-F230 WeakPolarHBondContact OD2-CE2 3.36Å; D42-F230 WeakPolarHBondContact OD2-CZ 3.36Å
43N68.9Low82.3Confident103 Ų10338.5 Ų38.555%0.55120%0.204SC*.Hα-helixtrans-83.3-19.9177-64.9-30.4000113.3E47N43-E47 WeakPolarHBondContact O-CG 3.39Å; N43-E47 PolarHBondContact O-N 2.91Å; N43-E47 VanDerWaalsContact O-N 3.1Å
44L71.9Confident82Confident98 Ų9843.3 Ų43.351%0.51323%0.225SC..Hα-helixtrans-73.1-45.8-173.2-179.369.3000111.3D42 Q46 E47 I48 F230D42-L44 PolarHBondContact OD1-N 2.77Å; L44-Q46 VanDerWaalsContact C-N 3.27Å; L44-Q46 PolarHBondContact O-N 3.36Å; L44-E47 PolarHBondContact O-N 2.8Å; L44-I48 HydrophobicContact CG-CD1 4.13Å; L44-I48 WeakPolarHBondContact O-CG1 3.45Å; L44-I48 PolarHBondContact O-N 2.91Å; L44-F230 HydrophobicContact CB-CZ 4.42Å
45M74.1Confident81.8Confident15 Ų1547 Ų477%0.07424%0.243CC..Hα-helixtrans-68.9-30.2177.5-76.5-56.5-59.800112.3D42 I48 N49 Q93 F230 I254D42-M45 PolarHBondContact OD1-N 2.91Å; D42-M45 WeakPolarHBondContact OD2-CB 3.35Å; D42-M45 VanDerWaalsContact OD2-CG 3.27Å; D42-M45 WeakPolarHBondContact OD2-CG 3.25Å; M45-I48 PolarHBondContact O-N 3.46Å; M45-I48 HydrophobicContact SD-CD1 4.01Å; M45-N49 WeakPolarHBondContact O-CB 3.32Å; M45-N49 VanDerWaalsContact O-CG 3.32Å; M45-N49 PolarHBondContact O-N 3.13Å; M45-N49 PolarHBondContact O-ND2 3.25Å; M45-Q93 VanDerWaalsContact CB-NE2 3.35Å; M45-F230 HydrophobicContact CG-CE2 4.49Å; M45-I254 HydrophobicContact CE-CG2 4Å; M45-I254 HydrophobicContact SD-CG2 3.34Å; M45-I254 WeakPolarHBondContact SD-CG2 3.43Å
46Q78.2Confident81.4Confident57 Ų5747.1 Ų47.127%0.26624%0.243SC..Hα-helixtrans-59.8-50.9170.2176.2175.48.500110.7L44 I48 N49 Q50L44-Q46 VanDerWaalsContact C-N 3.27Å; L44-Q46 PolarHBondContact O-N 3.36Å; Q46-I48 PolarHBondContact O-N 3.01Å; Q46-N49 PolarHBondContact O-N 3.2Å; Q46-Q50 VanDerWaalsContact O-CB 3.31Å; Q46-Q50 WeakPolarHBondContact O-CB 3.27Å; Q46-Q50 PolarHBondContact O-N 3.21Å
47E81.6Confident81.1Confident118 Ų11849.1 Ų49.155%0.55126%0.264SS*.Hα-helixtrans-60.7-42.3177.1-73177.8-17000112.5N43 L44 Q50 N51N43-E47 WeakPolarHBondContact O-CG 3.39Å; N43-E47 PolarHBondContact O-N 2.91Å; N43-E47 VanDerWaalsContact O-N 3.1Å; L44-E47 PolarHBondContact O-N 2.8Å; E47-Q50 PolarHBondContact O-N 2.77Å; E47-N51 WeakPolarHBondContact O-CB 3.3Å; E47-N51 PolarHBondContact O-N 3.16Å; E47-N51 PolarHBondContact O-ND2 3.18Å
48I83.1Confident81Confident27 Ų2749.5 Ų49.514%0.13827%0.266CS..Hα-helixtrans-62.7-48.8178.4-70168000111.2L44 M45 Q46 Q50 N51 L52 I254 L255 A258L44-I48 HydrophobicContact CG-CD1 4.13Å; L44-I48 WeakPolarHBondContact O-CG1 3.45Å; L44-I48 PolarHBondContact O-N 2.91Å; M45-I48 PolarHBondContact O-N 3.46Å; M45-I48 HydrophobicContact SD-CD1 4.01Å; Q46-I48 PolarHBondContact O-N 3.01Å; I48-Q50 VanDerWaalsContact C-N 3.34Å; I48-Q50 PolarHBondContact O-N 3.12Å; I48-N51 PolarHBondContact O-N 2.94Å; I48-L52 HydrophobicContact CG2-CD1 3.88Å; I48-L52 WeakPolarHBondContact O-CB 3.14Å; I48-L52 WeakPolarHBondContact O-CG 3.46Å; I48-L52 PolarHBondContact O-N 3.47Å; I48-I254 HydrophobicContact CD1-CG2 4.38Å; I48-L255 HydrophobicContact CD1-CD2 4.19Å; I48-L255 HydrophobicContact CG1-CD2 4.26Å; I48-L255 HydrophobicContact CG2-CD2 3.88Å; I48-A258 HydrophobicContact CG2-CB 3.85Å
49N83.9Confident81Confident1 Ų153.4 Ų53.41%0.00529%0.287CS..Hα-helixtrans-63-42179.5-75.3-49.8000111.2I36 M45 Q46 A53 I60 R261I36-N49 HydrophobicContact CD1-CB 3.85Å; I36-N49 WeakPolarHBondContact CD1-ND2 3.34Å; M45-N49 WeakPolarHBondContact O-CB 3.32Å; M45-N49 VanDerWaalsContact O-CG 3.32Å; M45-N49 PolarHBondContact O-N 3.13Å; M45-N49 PolarHBondContact O-ND2 3.25Å; Q46-N49 PolarHBondContact O-N 3.2Å; N49-A53 WeakPolarHBondContact O-CB 3.04Å; N49-A53 PolarHBondContact O-N 2.87Å; N49-I60 HydrophobicContact CB-CD1 3.82Å; N49-R261 PolarHBondContact OD1-NH1 3.15Å
50Q86Confident81.4Confident65 Ų6554.2 Ų54.230%0.30429%0.29SS..Hα-helixtrans-60.2-52.6176.9-174.668.83700111.4Q46 E47 I48 L52 A53 E54Q46-Q50 VanDerWaalsContact O-CB 3.31Å; Q46-Q50 WeakPolarHBondContact O-CB 3.27Å; Q46-Q50 PolarHBondContact O-N 3.21Å; E47-Q50 PolarHBondContact O-N 2.77Å; I48-Q50 VanDerWaalsContact C-N 3.34Å; I48-Q50 PolarHBondContact O-N 3.12Å; Q50-L52 PolarHBondContact O-N 3.2Å; Q50-A53 PolarHBondContact O-N 3.45Å; Q50-E54 PolarHBondContact NE2-OE1 3.28Å; Q50-E54 WeakPolarHBondContact O-CG 3.37Å; Q50-E54 PolarHBondContact O-N 2.97Å
51N87.4Confident82.3Confident98 Ų9856.4 Ų56.452%0.52430%0.299SS..Hα-helixtrans-60.2-44-178.6-75.2-41000112.3E47 I48 E55E47-N51 WeakPolarHBondContact O-CB 3.3Å; E47-N51 PolarHBondContact O-N 3.16Å; E47-N51 PolarHBondContact O-ND2 3.18Å; I48-N51 PolarHBondContact O-N 2.94Å; N51-E55 PolarHBondContact O-N 3.11Å
52L87.9Confident83.6Confident9 Ų951.3 Ų51.35%0.04727%0.27CS..Hα-helixtrans-72.1-35.1179.8-67.6173.2000112.2I13 I48 Q50 E55 A56 A258 I262I13-L52 HydrophobicContact CD1-CB 4.24Å; I13-L52 HydrophobicContact CD1-CD2 4.26Å; I13-L52 HydrophobicContact CG1-CD2 4.15Å; I48-L52 HydrophobicContact CG2-CD1 3.88Å; I48-L52 WeakPolarHBondContact O-CB 3.14Å; I48-L52 WeakPolarHBondContact O-CG 3.46Å; I48-L52 PolarHBondContact O-N 3.47Å; Q50-L52 PolarHBondContact O-N 3.2Å; L52-E55 PolarHBondContact O-N 3.49Å; L52-A56 WeakPolarHBondContact O-CB 2.86Å; L52-A56 PolarHBondContact O-N 3.13Å; L52-A258 HydrophobicContact CD1-CB 3.57Å; L52-I262 HydrophobicContact CB-CD1 3.35Å
53A87Confident84.8Confident0 Ų051.6 Ų51.60%027%0.272CS..Hα-helixtrans-63.8-43.4174.700000110.9N49 Q50 A56 G57 L58 I60N49-A53 WeakPolarHBondContact O-CB 3.04Å; N49-A53 PolarHBondContact O-N 2.87Å; Q50-A53 PolarHBondContact O-N 3.45Å; A53-A56 CarbonylContact O-C 3.58Å; A53-A56 PolarHBondContact O-N 3.05Å; A53-G57 PolarHBondContact O-N 3.25Å; A53-L58 HydrophobicContact CB-CB 4.24Å; A53-L58 HydrophobicContact CB-CD2 4.42Å; A53-L58 PolarHBondContact O-N 2.99Å; A53-I60 HydrophobicContact CB-CB 4.24Å; A53-I60 HydrophobicContact CB-CD1 4.37Å; A53-I60 HydrophobicContact CB-CG2 4.35Å
54E87.9Confident85.8Confident118 Ų11850.7 Ų50.755%0.55127%0.273SS*.Hα-helixtrans-61.5-43.8173.9-74177-16500112.1Q50 A56 G57Q50-E54 PolarHBondContact NE2-OE1 3.28Å; Q50-E54 WeakPolarHBondContact O-CG 3.37Å; Q50-E54 PolarHBondContact O-N 2.97Å; E54-A56 VanDerWaalsContact C-N 3.26Å; E54-A56 PolarHBondContact O-N 3Å; E54-G57 PolarHBondContact O-N 3.42Å; E54-G57 VanDerWaalsContact O-N 3.1Å
55E88.5Confident86.6Confident80 Ų8047.5 Ų47.537%0.37426%0.256SS..Hα-helixtrans-58.1-40.8176.2-168.1-180172.100111.5I13 K17 N51 L52I13-E55 HydrophobicContact CG2-CB 4.02Å; I13-E55 HydrophobicContact CG2-CG 3.67Å; K17-E55 WeakPolarHBondContact CD-O 3.42Å; K17-E55 PolarHBondContact NZ-O 2.93Å; K17-E55 VanDerWaalsContact NZ-O 3.13Å; N51-E55 PolarHBondContact O-N 3.11Å; L52-E55 PolarHBondContact O-N 3.49Å
56A87.8Confident87.1Confident2 Ų250.2 Ų50.22%0.01728%0.275CS..Hα-helixtrans-78.5-15.117800000114.5I13 L52 A53 E54 I262I13-A56 HydrophobicContact CG2-CB 4.27Å; L52-A56 WeakPolarHBondContact O-CB 2.86Å; L52-A56 PolarHBondContact O-N 3.13Å; A53-A56 CarbonylContact O-C 3.58Å; A53-A56 PolarHBondContact O-N 3.05Å; E54-A56 VanDerWaalsContact C-N 3.26Å; E54-A56 PolarHBondContact O-N 3Å; A56-I262 HydrophobicContact CB-CG2 3.78Å
57G85.8Confident87.1Confident43 Ų4351.3 Ų51.344%0.44329%0.287SS..THydrogen-bonded Turntrans77.129.1-174.400000114.4L20 A53 E54L20-G57 WeakPolarHBondContact CD2-O 2.95Å; A53-G57 PolarHBondContact O-N 3.25Å; E54-G57 PolarHBondContact O-N 3.42Å; E54-G57 VanDerWaalsContact O-N 3.1Å
58L88.8Confident87.2Confident9 Ų952.5 Ų52.55%0.04730%0.297CS..  trans-101.3138.9-177.9179.570.5000111L20 P32 L34 A53 I262 M265L20-L58 HydrophobicContact CD2-CB 4.36Å; P32-L58 HydrophobicContact CB-CD1 3.95Å; P32-L58 HydrophobicContact CG-CD1 3.97Å; P32-L58 WeakPolarHBondContact O-CD1 3.24Å; L34-L58 HydrophobicContact CB-CD2 4.04Å; L34-L58 HydrophobicContact CD2-CD2 4.39Å; A53-L58 HydrophobicContact CB-CB 4.24Å; A53-L58 HydrophobicContact CB-CD2 4.42Å; A53-L58 PolarHBondContact O-N 2.99Å; L58-I262 HydrophobicContact CD2-CG1 4.38Å; L58-I262 HydrophobicContact CD2-CG2 4.32Å; L58-M265 HydrophobicContact CD1-CE 4.05Å; L58-M265 HydrophobicContact CD1-CG 3.88Å; L58-M265 HydrophobicContact CD2-CB 4.3Å; L58-M265 HydrophobicContact CD2-CG 3.71Å; L58-M265 HydrophobicContact CG-CG 4.44Å
59N89.5Confident87.4Confident87 Ų8751.6 Ų51.647%0.46529%0.293SS..EExtended strand (participates in β ladder)trans-80.8138.2170.6-66.6-28000110.3P32 V33 L34P32-N59 PolarHBondContact O-N 3.4Å; V33-N59 WeakPolarHBondContact CA-O 3.34Å; V33-N59 HydrophobicContact CG2-CB 3.99Å; L34-N59 PolarHBondContact N-O 3.35Å
60I91.1Very high87.6Confident25 Ų2554.2 Ų54.213%0.12831%0.311CS..EExtended strand (participates in β ladder)trans-127.4140.9177.9-165.1168.6000110L34 I36 N49 A53 H62L34-I60 HydrophobicContact CB-CG1 4.4Å; L34-I60 HydrophobicContact CD2-CD1 4.29Å; L34-I60 HydrophobicContact CG-CG1 4.43Å; L34-I60 CarbonylContact O-C 3.5Å; L34-I60 VanDerWaalsContact O-CA 3.3Å; L34-I60 WeakPolarHBondContact O-CA 3.2Å; L34-I60 WeakPolarHBondContact O-CG1 3.46Å; I36-I60 HydrophobicContact CD1-CD1 3.71Å; I36-I60 HydrophobicContact CD1-CG1 4.41Å; I36-I60 HydrophobicContact CG1-CD1 4.15Å; I36-I60 HydrophobicContact CG1-CG1 4.31Å; N49-I60 HydrophobicContact CB-CD1 3.82Å; A53-I60 HydrophobicContact CB-CB 4.24Å; A53-I60 HydrophobicContact CB-CD1 4.37Å; A53-I60 HydrophobicContact CB-CG2 4.35Å; I60-H62 VanDerWaalsContact CD1-NE2 3.34Å; I60-H62 WeakPolarHBondContact CD1-NE2 3.45Å
61T91.5Very high87.9Confident68 Ų6854.1 Ų54.142%0.41731%0.311SS..EExtended strand (participates in β ladder)trans-123.3116.1175.2-59.90000108.2V33 L34 A35 I36 I63V33-T61 WeakPolarHBondContact CG1-OG1 3.48Å; L34-T61 PolarHBondContact O-N 2.92Å; A35-T61 CarbonylContact C-O 3.55Å; A35-T61 WeakPolarHBondContact CA-O 3.46Å; I36-T61 PolarHBondContact N-O 2.85Å; T61-I63 HydrophobicContact CG2-CG1 4.32Å
62H89.7Confident88Confident36 Ų3652.1 Ų52.117%0.16731%0.308CS..EExtended strand (participates in β ladder)trans-92.8130.2174.1-80.4-95.7000110.4I60I60-H62 VanDerWaalsContact CD1-NE2 3.34Å; I60-H62 WeakPolarHBondContact CD1-NE2 3.45Å
63I90.8Very high88.2Confident25 Ų2556.3 Ų56.313%0.12833%0.327CS..EExtended strand (participates in β ladder)trans-118101.5177.8-56.5160.3000106.8I36 I37 Q38 T61 L65 E77 I81I36-I63 PolarHBondContact O-N 3.15Å; I37-I63 HydrophobicContact CG1-CB 4.33Å; I37-I63 HydrophobicContact CG1-CD1 4.03Å; Q38-I63 PolarHBondContact N-O 2.93Å; T61-I63 HydrophobicContact CG2-CG1 4.32Å; I63-L65 HydrophobicContact CG2-CD2 4.43Å; I63-E77 HydrophobicContact CD1-CG 4.39Å; I63-E77 HydrophobicContact CG2-CG 3.76Å; I63-I81 HydrophobicContact CD1-CD1 3.41Å; I63-I81 VanDerWaalsContact CD1-CD1 3.41Å; I63-I81 HydrophobicContact CD1-CG1 3.53Å
64C89.1Confident88.4Confident84 Ų8456.3 Ų56.357%0.56833%0.327SS*.EExtended strand (participates in β ladder)trans-91113.1-179.3-54.60000109.4
65L88.1Confident88.7Confident31 Ų3152.2 Ų52.216%0.16231%0.309CS..EExtended strand (participates in β ladder)trans-92.1151.1171.7-60.7178.1000110I37 Q38 A39 I63 I74I37-L65 HydrophobicContact CG2-CD1 3.74Å; I37-L65 HydrophobicContact CG2-CG 4.34Å; Q38-L65 PolarHBondContact O-N 3.26Å; A39-L65 HydrophobicContact CB-CB 4.41Å; I63-L65 HydrophobicContact CG2-CD2 4.43Å; L65-I74 HydrophobicContact CD1-CB 4.47Å; L65-I74 HydrophobicContact CD1-CG1 3.84Å
66P85.8Confident88.9Confident72 Ų7253.4 Ų53.447%0.46832%0.318SS..  trans-50.2143.9172-27.534.4000112.7D68 S69P66-D68 WeakPolarHBondContact CB-OD1 3.44Å; P66-D68 PolarHBondContact O-N 3.05Å; P66-D68 VanDerWaalsContact O-N 3.15Å; P66-S69 WeakPolarHBondContact CD-OG 3.42Å; P66-S69 WeakPolarHBondContact O-CB 3.44Å; P66-S69 PolarHBondContact O-N 2.86Å; P66-S69 PolarHBondContact O-OG 2.88Å
67P78.3Confident89.2Confident80 Ų8054.7 Ų54.752%0.51932%0.324SS..THydrogen-bonded Turntrans-59.3-25.7179.5-25.234.3000114.5S69P67-S69 VanDerWaalsContact C-N 3.33Å
68D83.2Confident89.6Confident143 Ų14352.7 Ų52.777%0.76530%0.303SS*.THydrogen-bonded Turntrans-91.610.6177.561.8-35.4000113.5P66 S70P66-D68 WeakPolarHBondContact CB-OD1 3.44Å; P66-D68 PolarHBondContact O-N 3.05Å; P66-D68 VanDerWaalsContact O-N 3.15Å; D68-S70 PolarHBondContact O-N 3.39Å
69S86.8Confident89.8Confident8 Ų856.3 Ų56.36%0.05632%0.322CS..  trans-58.5137.2-179.3-92.60000113.2P66 P67 E73P66-S69 WeakPolarHBondContact CD-OG 3.42Å; P66-S69 WeakPolarHBondContact O-CB 3.44Å; P66-S69 PolarHBondContact O-N 2.86Å; P66-S69 PolarHBondContact O-OG 2.88Å; P67-S69 VanDerWaalsContact C-N 3.33Å; S69-E73 WeakPolarHBondContact CA-OE2 3.33Å; S69-E73 VanDerWaalsContact CB-OE2 3.24Å; S69-E73 WeakPolarHBondContact CB-OE2 3.43Å; S69-E73 PolarHBondContact OG-OE2 3.24Å
70S89.8Confident90Very high55 Ų5558.2 Ų58.239%0.38533%0.326SS..  trans-76.9160.5-179.874.80000112.1D68 A72 E73 I74D68-S70 PolarHBondContact O-N 3.39Å; S70-A72 PolarHBondContact O-N 3.08Å; S70-E73 PolarHBondContact N-OE2 3.14Å; S70-E73 PolarHBondContact O-N 2.95Å; S70-E73 VanDerWaalsContact O-N 3.16Å; S70-E73 WeakPolarHBondContact OG-CG 3.25Å; S70-E73 PolarHBondContact OG-N 3.47Å; S70-I74 PolarHBondContact O-N 3.49Å
71E90.4Very high90.1Very high63 Ų6357.7 Ų57.729%0.29432%0.323SS..Hα-helixtrans-53.1-37.3172.2-167.5-172.4174.800112.2I75 S100 K102 V103E71-I75 HydrophobicContact CG-CD1 4.11Å; E71-I75 VanDerWaalsContact O-CG1 3.25Å; E71-I75 WeakPolarHBondContact O-CG1 3.33Å; E71-I75 PolarHBondContact O-N 2.97Å; E71-S100 WeakPolarHBondContact OE1-CB 3.5Å; E71-S100 PolarHBondContact OE1-OG 3.37Å; E71-K102 WeakPolarHBondContact OE1-CB 3.45Å; E71-V103 HydrophobicContact CG-CG2 3.47Å; E71-V103 VanDerWaalsContact CG-CG2 3.47Å
72A90.7Very high90Very high57 Ų5754.7 Ų54.747%0.47131%0.305SS..Hα-helixtrans-67.7-41.9179.800000112.3S70 I74 I75 D76S70-A72 PolarHBondContact O-N 3.08Å; A72-I74 VanDerWaalsContact C-N 3.33Å; A72-I74 PolarHBondContact O-N 3.16Å; A72-I75 PolarHBondContact O-N 3.34Å; A72-D76 PolarHBondContact O-N 3.27Å
73E91.4Very high89.8Confident96 Ų9658.7 Ų58.745%0.44932%0.323SS..Hα-helixtrans-64.3-39.3178.1-70170.7165.900111.9S69 S70 D76 E77S69-E73 WeakPolarHBondContact CA-OE2 3.33Å; S69-E73 VanDerWaalsContact CB-OE2 3.24Å; S69-E73 WeakPolarHBondContact CB-OE2 3.43Å; S69-E73 PolarHBondContact OG-OE2 3.24Å; S70-E73 PolarHBondContact N-OE2 3.14Å; S70-E73 PolarHBondContact O-N 2.95Å; S70-E73 VanDerWaalsContact O-N 3.16Å; S70-E73 WeakPolarHBondContact OG-CG 3.25Å; S70-E73 PolarHBondContact OG-N 3.47Å; E73-D76 PolarHBondContact O-N 2.9Å; E73-E77 PolarHBondContact O-N 3.32Å; E73-E77 VanDerWaalsContact O-N 3.12Å
74I91.2Very high89.7Confident0 Ų059.2 Ų59.20%033%0.326CS..Hα-helixtrans-63.9-45.2174.6-64.3167.5000110.1A39 L65 S70 A72 E77 I78 I94 L98 V103A39-I74 HydrophobicContact CB-CD1 4.33Å; L65-I74 HydrophobicContact CD1-CB 4.47Å; L65-I74 HydrophobicContact CD1-CG1 3.84Å; S70-I74 PolarHBondContact O-N 3.49Å; A72-I74 VanDerWaalsContact C-N 3.33Å; A72-I74 PolarHBondContact O-N 3.16Å; I74-E77 PolarHBondContact O-N 3.07Å; I74-I78 HydrophobicContact CG2-CD1 3.83Å; I74-I78 HydrophobicContact CG2-CG1 4.43Å; I74-I78 VanDerWaalsContact O-CG1 3.25Å; I74-I78 WeakPolarHBondContact O-CG1 3.41Å; I74-I78 PolarHBondContact O-N 2.83Å; I74-I94 HydrophobicContact CD1-CG2 4.26Å; I74-I94 HydrophobicContact CG2-CD1 4.49Å; I74-L98 HydrophobicContact CD1-CB 4.41Å; I74-L98 HydrophobicContact CD1-CD1 3.87Å; I74-V103 HydrophobicContact CG2-CG1 3.99Å
75I94.1Very high89.3Confident32 Ų3258.9 Ų58.916%0.16432%0.322CS..Hα-helixtrans-61.1-45.4177.5-72.1167.2000110.9E71 A72 E77 I78 L79 K102 V103 A106E71-I75 HydrophobicContact CG-CD1 4.11Å; E71-I75 VanDerWaalsContact O-CG1 3.25Å; E71-I75 WeakPolarHBondContact O-CG1 3.33Å; E71-I75 PolarHBondContact O-N 2.97Å; A72-I75 PolarHBondContact O-N 3.34Å; I75-E77 VanDerWaalsContact C-N 3.31Å; I75-E77 PolarHBondContact O-N 3.22Å; I75-I78 WeakPolarHBondContact O-CB 3.25Å; I75-I78 PolarHBondContact O-N 3.23Å; I75-L79 HydrophobicContact CG2-CD1 3.87Å; I75-L79 HydrophobicContact CG2-CG 4.2Å; I75-L79 WeakPolarHBondContact O-CB 3.47Å; I75-L79 VanDerWaalsContact O-CG 3.28Å; I75-L79 WeakPolarHBondContact O-CG 3.17Å; I75-L79 PolarHBondContact O-N 3.44Å; I75-K102 HydrophobicContact CD1-CB 4Å; I75-V103 HydrophobicContact CD1-CG2 4.25Å; I75-V103 HydrophobicContact CG1-CG2 4.05Å; I75-A106 HydrophobicContact CG1-CB 4.2Å; I75-A106 HydrophobicContact CG2-CB 4.04Å
76D93.4Very high89.3Confident106 Ų10665.5 Ų65.557%0.56735%0.345SS*.Hα-helixtrans-60.6-41.3-179.9-75.7-17.3000111.7A72 E73 L79 K80A72-D76 PolarHBondContact O-N 3.27Å; E73-D76 PolarHBondContact O-N 2.9Å; D76-L79 PolarHBondContact O-N 3.42Å; D76-K80 WeakPolarHBondContact O-CB 3.46Å; D76-K80 PolarHBondContact O-N 3.43Å
77E94.6Very high89.5Confident29 Ų2962.4 Ų62.414%0.13633%0.325CS..Hα-helixtrans-70.7-38.4176.4-164.160.4-146.700111.9I37 I63 E73 I74 I75 L79 K80 I81I37-E77 HydrophobicContact CD1-CB 4.21Å; I37-E77 HydrophobicContact CD1-CG 4.03Å; I37-E77 HydrophobicContact CG1-CG 4.35Å; I63-E77 HydrophobicContact CD1-CG 4.39Å; I63-E77 HydrophobicContact CG2-CG 3.76Å; E73-E77 PolarHBondContact O-N 3.32Å; E73-E77 VanDerWaalsContact O-N 3.12Å; I74-E77 PolarHBondContact O-N 3.07Å; I75-E77 VanDerWaalsContact C-N 3.31Å; I75-E77 PolarHBondContact O-N 3.22Å; E77-L79 VanDerWaalsContact C-N 3.34Å; E77-L79 PolarHBondContact O-N 3.18Å; E77-K80 VanDerWaalsContact CD-NZ 3.29Å; E77-K80 PolarHBondContact O-N 3.37Å; E77-K80 IonicContact OE1-NZ 2.68Å; E77-K80 PolarHBondContact OE1-NZ 2.94Å; E77-K80 IonicContact OE2-NZ 3.4Å; E77-K80 PolarHBondContact OE2-NZ 3.31Å; E77-I81 VanDerWaalsContact O-CG1 3.29Å; E77-I81 WeakPolarHBondContact O-CG1 3.46Å; E77-I81 PolarHBondContact O-N 2.86Å
78I94.3Very high90.2Very high0 Ų059 Ų590%030%0.301CS..Hα-helixtrans-57.4-48.6171.8-71.1167.2000110.4I37 I74 I75 K80 I81 N82 L90 L92 V103 A106 L107I37-I78 HydrophobicContact CD1-CB 4.36Å; I37-I78 HydrophobicContact CD1-CG1 3.63Å; I74-I78 HydrophobicContact CG2-CD1 3.83Å; I74-I78 HydrophobicContact CG2-CG1 4.43Å; I74-I78 VanDerWaalsContact O-CG1 3.25Å; I74-I78 WeakPolarHBondContact O-CG1 3.41Å; I74-I78 PolarHBondContact O-N 2.83Å; I75-I78 WeakPolarHBondContact O-CB 3.25Å; I75-I78 PolarHBondContact O-N 3.23Å; I78-K80 VanDerWaalsContact C-N 3.35Å; I78-K80 PolarHBondContact O-N 2.87Å; I78-I81 PolarHBondContact O-N 3.46Å; I78-N82 WeakPolarHBondContact CG2-ND2 3.45Å; I78-N82 WeakPolarHBondContact O-CB 3.31Å; I78-N82 VanDerWaalsContact O-CG 3.22Å; I78-N82 PolarHBondContact O-N 3.13Å; I78-N82 PolarHBondContact O-ND2 2.91Å; I78-L90 HydrophobicContact CB-CD2 4.44Å; I78-L90 HydrophobicContact CG1-CD2 4.37Å; I78-L90 HydrophobicContact CG2-CD2 4.06Å; I78-L92 HydrophobicContact CD1-CD1 4.07Å; I78-L92 HydrophobicContact CD1-CD2 3.8Å; I78-L92 HydrophobicContact CG1-CD2 3.89Å; I78-V103 HydrophobicContact CD1-CG1 3.78Å; I78-A106 HydrophobicContact CB-CB 4.44Å; I78-A106 HydrophobicContact CG2-CB 3.91Å; I78-A106 WeakPolarHBondContact CG2-O 3.42Å; I78-L107 HydrophobicContact CG2-CB 4.39Å
79L93.1Very high90.8Very high85 Ų8552.1 Ų52.145%0.44527%0.265SS..Hα-helixtrans-61.7-43.2-179.6-70.2175.7000111.4I75 D76 E77 I81 N82 E83I75-L79 HydrophobicContact CG2-CD1 3.87Å; I75-L79 HydrophobicContact CG2-CG 4.2Å; I75-L79 WeakPolarHBondContact O-CB 3.47Å; I75-L79 VanDerWaalsContact O-CG 3.28Å; I75-L79 WeakPolarHBondContact O-CG 3.17Å; I75-L79 PolarHBondContact O-N 3.44Å; D76-L79 PolarHBondContact O-N 3.42Å; E77-L79 VanDerWaalsContact C-N 3.34Å; E77-L79 PolarHBondContact O-N 3.18Å; L79-I81 PolarHBondContact O-N 2.93Å; L79-N82 WeakPolarHBondContact O-CB 3.21Å; L79-N82 PolarHBondContact O-N 3.11Å; L79-E83 WeakPolarHBondContact O-CG 3.31Å; L79-E83 PolarHBondContact O-N 2.85Å
80K92.2Very high91.2Very high128 Ų12851.8 Ų51.856%0.55726%0.262SS*.Hα-helixtrans-59.6-44.8175.2176.3176.1157.2-1360112.4D76 E77 I78 E83 D84D76-K80 WeakPolarHBondContact O-CB 3.46Å; D76-K80 PolarHBondContact O-N 3.43Å; E77-K80 VanDerWaalsContact CD-NZ 3.29Å; E77-K80 PolarHBondContact O-N 3.37Å; E77-K80 IonicContact OE1-NZ 2.68Å; E77-K80 PolarHBondContact OE1-NZ 2.94Å; E77-K80 IonicContact OE2-NZ 3.4Å; E77-K80 PolarHBondContact OE2-NZ 3.31Å; I78-K80 VanDerWaalsContact C-N 3.35Å; I78-K80 PolarHBondContact O-N 2.87Å; K80-E83 PolarHBondContact O-N 2.86Å; K80-D84 PolarHBondContact O-N 2.89Å
81I93.2Very high91.3Very high14 Ų1449.2 Ų49.27%0.07224%0.244CC..Hα-helixtrans-73.3-31.3179.6-64.3-59.8000112.6A35 I63 E77 I78 L79 E83 D84 V87 L90 K111A35-I81 HydrophobicContact CB-CG2 3.66Å; I63-I81 HydrophobicContact CD1-CD1 3.41Å; I63-I81 VanDerWaalsContact CD1-CD1 3.41Å; I63-I81 HydrophobicContact CD1-CG1 3.53Å; E77-I81 VanDerWaalsContact O-CG1 3.29Å; E77-I81 WeakPolarHBondContact O-CG1 3.46Å; E77-I81 PolarHBondContact O-N 2.86Å; I78-I81 PolarHBondContact O-N 3.46Å; L79-I81 PolarHBondContact O-N 2.93Å; I81-E83 PolarHBondContact O-N 3.19Å; I81-D84 PolarHBondContact O-N 2.61Å; I81-V87 HydrophobicContact CG2-CB 4.18Å; I81-V87 HydrophobicContact CG2-CG1 3.73Å; I81-V87 HydrophobicContact CG2-CG2 4.2Å; I81-L90 HydrophobicContact CB-CD2 4.28Å; I81-L90 HydrophobicContact CG2-CD1 4.1Å; I81-L90 HydrophobicContact CG2-CD2 4.01Å; I81-L90 HydrophobicContact CG2-CG 4.47Å; I81-K111 PolarHBondContact O-NZ 3.21Å
82N90.3Very high91.2Very high5 Ų546.8 Ų46.83%0.02723%0.233CC..Hα-helixtrans-61.1-31172.3-82.6-27.8000112.7I78 L79 A106 K108 K111I78-N82 WeakPolarHBondContact CG2-ND2 3.45Å; I78-N82 WeakPolarHBondContact O-CB 3.31Å; I78-N82 VanDerWaalsContact O-CG 3.22Å; I78-N82 PolarHBondContact O-N 3.13Å; I78-N82 PolarHBondContact O-ND2 2.91Å; L79-N82 WeakPolarHBondContact O-CB 3.21Å; L79-N82 PolarHBondContact O-N 3.11Å; N82-A106 PolarHBondContact ND2-O 2.86Å; N82-K108 HydrophobicContact CB-CD 3.85Å; N82-K108 HydrophobicContact CB-CG 4.05Å; N82-K108 PolarHBondContact ND2-N 3.4Å; N82-K108 PolarHBondContact O-NZ 3.45Å; N82-K108 PolarHBondContact OD1-N 3.43Å; N82-K111 PolarHBondContact O-NZ 2.97Å
83E85.4Confident91Very high119 Ų11945.8 Ų45.856%0.55622%0.219SC*.Hα-helixtrans-85.9-13.3177.1-63.6-51.3123.600113.8L79 K80 I81 T85 K108L79-E83 WeakPolarHBondContact O-CG 3.31Å; L79-E83 PolarHBondContact O-N 2.85Å; K80-E83 PolarHBondContact O-N 2.86Å; I81-E83 PolarHBondContact O-N 3.19Å; E83-T85 PolarHBondContact O-N 3.48Å; E83-K108 WeakPolarHBondContact OE1-CE 3.43Å; E83-K108 IonicContact OE1-NZ 3.07Å; E83-K108 PolarHBondContact OE1-NZ 2.86Å; E83-K108 IonicContact OE2-NZ 2.7Å
84D87.6Confident90.6Very high36 Ų3642 Ų4219%0.19320%0.201CC..  trans-75.8111.3174.2-166-23.5000110.8K80 I81 R86 V87 K111K80-D84 PolarHBondContact O-N 2.89Å; I81-D84 PolarHBondContact O-N 2.61Å; D84-R86 PolarHBondContact O-N 3.07Å; D84-R86 VanDerWaalsContact OD1-CB 3.23Å; D84-R86 WeakPolarHBondContact OD1-CB 3.34Å; D84-R86 WeakPolarHBondContact OD1-CG 3.37Å; D84-R86 IonicContact OD1-CZ 2.79Å; D84-R86 PolarHBondContact OD1-N 3.03Å; D84-R86 IonicContact OD1-NE 3.84Å; D84-R86 PolarHBondContact OD1-NE 3.35Å; D84-R86 IonicContact OD1-NH2 3.88Å; D84-R86 IonicContact OD2-CZ 3.28Å; D84-R86 IonicContact OD2-NE 2.73Å; D84-R86 PolarHBondContact OD2-NE 3.48Å; D84-R86 IonicContact OD2-NH2 3.43Å; D84-R86 PolarHBondContact OD2-NH2 3.23Å; D84-V87 HydrophobicContact CB-CB 4.41Å; D84-V87 HydrophobicContact CB-CG2 4.03Å; D84-V87 PolarHBondContact O-N 3.29Å; D84-K111 PolarHBondContact O-NZ 3.14Å
85T81.4Confident89.8Confident78 Ų7845.2 Ų45.248%0.47922%0.224SC..THydrogen-bonded Turntrans-69.9-13179.456.20000113.5E83E83-T85 PolarHBondContact O-N 3.48Å
86R87.3Confident88.6Confident170 Ų17050 Ų5064%0.64225%0.246SC*.THydrogen-bonded Turntrans-81.3-20.8174.2-54.6171-63.81734.9111.8V33 D84 H88V33-R86 WeakPolarHBondContact CB-O 3.31Å; D84-R86 PolarHBondContact O-N 3.07Å; D84-R86 VanDerWaalsContact OD1-CB 3.23Å; D84-R86 WeakPolarHBondContact OD1-CB 3.34Å; D84-R86 WeakPolarHBondContact OD1-CG 3.37Å; D84-R86 IonicContact OD1-CZ 2.79Å; D84-R86 PolarHBondContact OD1-N 3.03Å; D84-R86 IonicContact OD1-NE 3.84Å; D84-R86 PolarHBondContact OD1-NE 3.35Å; D84-R86 IonicContact OD1-NH2 3.88Å; D84-R86 IonicContact OD2-CZ 3.28Å; D84-R86 IonicContact OD2-NE 2.73Å; D84-R86 PolarHBondContact OD2-NE 3.48Å; D84-R86 IonicContact OD2-NH2 3.43Å; D84-R86 PolarHBondContact OD2-NH2 3.23Å; R86-H88 PolarHBondContact O-CE1 2.66Å; R86-H88 PolarHBondContact O-ND1 2.85Å
87V91.6Very high87.6Confident7 Ų752.7 Ų52.74%0.04226%0.261CS..EExtended strand (participates in β ladder)trans-91.2124.7178179.90000109.2V33 A35 I81 D84 G89 K111V33-V87 HydrophobicContact CB-CG2 4.48Å; V33-V87 HydrophobicContact CG1-CG2 4.32Å; A35-V87 HydrophobicContact CB-CG1 3.71Å; A35-V87 HydrophobicContact CB-CG2 4.39Å; I81-V87 HydrophobicContact CG2-CB 4.18Å; I81-V87 HydrophobicContact CG2-CG1 3.73Å; I81-V87 HydrophobicContact CG2-CG2 4.2Å; D84-V87 HydrophobicContact CB-CB 4.41Å; D84-V87 HydrophobicContact CB-CG2 4.03Å; D84-V87 PolarHBondContact O-N 3.29Å; V87-G89 WeakPolarHBondContact CG1-O 3.3Å; V87-K111 WeakPolarHBondContact O-CE 3.46Å; V87-K111 PolarHBondContact O-NZ 3.27Å; V87-K111 VanDerWaalsContact O-NZ 3.11Å
88H93.2Very high86.8Confident7 Ų753.3 Ų53.33%0.03227%0.265CS..EExtended strand (participates in β ladder)trans-114-7-177-4866.4000112.5F30 V33 R86 M265 S268 W272F30-H88 AromaticContact CD2-NE2 3.85Å; F30-H88 AromaticContact CE2-CD2 3.64Å; F30-H88 AromaticContact CE2-NE2 3.42Å; F30-H88 WeakPolarHBondContact CE2-NE2 3.37Å; V33-H88 PolarHBondContact O-N 3.39Å; R86-H88 PolarHBondContact O-CE1 2.66Å; R86-H88 PolarHBondContact O-ND1 2.85Å; H88-M265 HydrophobicContact CB-CE 3.63Å; H88-M265 HydrophobicContact CB-SD 4.38Å; H88-S268 WeakPolarHBondContact O-CB 3.41Å; H88-S268 PolarHBondContact O-OG 3.03Å; H88-W272 AromaticContact CD2-CD2 3.48Å; H88-W272 VanDerWaalsContact CD2-CD2 3.48Å; H88-W272 AromaticContact CD2-CE2 3.97Å; H88-W272 AromaticContact CD2-CE3 3.68Å; H88-W272 AromaticContact CD2-CG 3.67Å; H88-W272 AromaticContact NE2-CD2 3.67Å; H88-W272 AromaticContact NE2-CE2 3.89Å; H88-W272 AromaticContact NE2-CE3 3.59Å; H88-W272 AromaticContact NE2-CZ3 3.77Å
89G94.3Very high85.9Confident0 Ų056.6 Ų56.60%028%0.279CS..EExtended strand (participates in β ladder)trans-151.5147.1173.200000110.3A35 V87 K111 M265A35-G89 PolarHBondContact N-O 3.28Å; V87-G89 WeakPolarHBondContact CG1-O 3.3Å; G89-K111 CarbonylContact C-O 3.03Å; G89-K111 VanDerWaalsContact CA-O 3.29Å; G89-K111 WeakPolarHBondContact CA-O 3.4Å; G89-M265 WeakPolarHBondContact CA-SD 3.38Å; G89-M265 PolarHBondContact N-SD 2.86Å; G89-M265 VanDerWaalsContact N-SD 3.35Å
90L94.9Very high85.5Confident0 Ų054.1 Ų54.10%027%0.269CS..EExtended strand (participates in β ladder)trans-134.6125.8-179.8173.656.9000108.5A35 I37 I78 I81 L107 K111A35-L90 HydrophobicContact CB-CD1 3.94Å; A35-L90 WeakPolarHBondContact O-CA 3.35Å; I37-L90 HydrophobicContact CD1-CD1 3.79Å; I37-L90 HydrophobicContact CD1-CD2 4.28Å; I37-L90 HydrophobicContact CG1-CD1 3.83Å; I78-L90 HydrophobicContact CB-CD2 4.44Å; I78-L90 HydrophobicContact CG1-CD2 4.37Å; I78-L90 HydrophobicContact CG2-CD2 4.06Å; I81-L90 HydrophobicContact CB-CD2 4.28Å; I81-L90 HydrophobicContact CG2-CD1 4.1Å; I81-L90 HydrophobicContact CG2-CD2 4.01Å; I81-L90 HydrophobicContact CG2-CG 4.47Å; L90-L107 HydrophobicContact CB-CD1 3.7Å; L90-L107 HydrophobicContact CD2-CD1 3.37Å; L90-L107 HydrophobicContact CG-CD1 3.53Å; L90-K111 HydrophobicContact CB-CB 4.47Å; L90-K111 PolarHBondContact N-O 3.45Å
91A91.9Very high85.2Confident1 Ų153.4 Ų53.41%0.00827%0.271CS..EExtended strand (participates in β ladder)trans-115.2146.8175.300000109.8L34 A35 I36 I37 V113 D114L34-A91 HydrophobicContact CD1-CB 4.38Å; A35-A91 PolarHBondContact O-N 3Å; I36-A91 WeakPolarHBondContact CA-O 3.37Å; I36-A91 HydrophobicContact CG1-CB 4.22Å; I37-A91 PolarHBondContact N-O 3.36Å; A91-V113 HydrophobicContact CB-CG2 3.94Å; A91-D114 WeakPolarHBondContact CA-OD2 3.32Å; A91-D114 VanDerWaalsContact CB-OD2 3.24Å; A91-D114 WeakPolarHBondContact CB-OD2 3.24Å
92L88.9Confident85Confident12 Ų1259.6 Ų59.66%0.06330%0.298CS..EExtended strand (participates in β ladder)trans-112.9122.6-179.7-58.3-179000109.8I37 I78 F99 V103I37-L92 HydrophobicContact CB-CD2 4.12Å; I37-L92 HydrophobicContact CD1-CD2 4.4Å; I78-L92 HydrophobicContact CD1-CD1 4.07Å; I78-L92 HydrophobicContact CD1-CD2 3.8Å; I78-L92 HydrophobicContact CG1-CD2 3.89Å; L92-F99 HydrophobicContact CB-CE1 4.21Å; L92-F99 HydrophobicContact CB-CZ 4.18Å; L92-F99 HydrophobicContact CD1-CE1 4.41Å; L92-V103 HydrophobicContact CD1-CG1 4.01Å
93Q86.9Confident85Confident36 Ų3659.4 Ų59.417%0.16830%0.296CS..EExtended strand (participates in β ladder)trans-118.871.5175.6-168.2-179.3-25.800108.8I36 I37 Q38 A39 D42 M45I36-Q93 HydrophobicContact CG2-CB 4.15Å; I37-Q93 PolarHBondContact O-N 2.82Å; Q38-Q93 VanDerWaalsContact CA-O 3.31Å; Q38-Q93 WeakPolarHBondContact CA-O 3.46Å; Q38-Q93 HydrophobicContact CB-CB 4.34Å; Q38-Q93 HydrophobicContact CG-CB 4.45Å; Q38-Q93 HydrophobicContact CG-CG 4.45Å; A39-Q93 PolarHBondContact N-O 3.5Å; D42-Q93 PolarHBondContact OD2-NE2 3.45Å; M45-Q93 VanDerWaalsContact CB-NE2 3.35Å
94I82.9Confident85.1Confident16 Ų1654.3 Ų54.38%0.08227%0.273CS..  trans-121.9162.7-176.465.4178.8000109.8A39 I74 L98 F99 V103A39-I94 HydrophobicContact CB-CB 4.4Å; A39-I94 HydrophobicContact CB-CG2 3.86Å; I74-I94 HydrophobicContact CD1-CG2 4.26Å; I74-I94 HydrophobicContact CG2-CD1 4.49Å; I94-L98 HydrophobicContact CD1-CB 4Å; I94-L98 HydrophobicContact CG1-CB 4.37Å; I94-F99 HydrophobicContact CD1-CD1 4.47Å; I94-F99 HydrophobicContact CD1-CD2 4.22Å; I94-F99 HydrophobicContact CD1-CE2 4.29Å; I94-F99 HydrophobicContact CD1-CG 4.35Å; I94-F99 HydrophobicContact CD1-CZ 4.43Å; I94-F99 HydrophobicContact CG1-CD2 3.73Å; I94-F99 HydrophobicContact CG1-CE1 4.36Å; I94-F99 HydrophobicContact CG1-CE2 3.46Å; I94-F99 VanDerWaalsContact CG1-CE2 3.46Å; I94-F99 HydrophobicContact CG1-CG 4.33Å; I94-F99 HydrophobicContact CG1-CZ 3.81Å; I94-F99 WeakPolarHBondContact O-CE2 3.35Å; I94-V103 HydrophobicContact CD1-CG1 3.84Å
95S74.4Confident85.1Confident69 Ų6956.7 Ų56.748%0.48329%0.286SS..  trans-62145.7176.8-68.60000112.1N97 L98S95-N97 PolarHBondContact O-N 3.06Å; S95-N97 VanDerWaalsContact O-N 3.1Å; S95-L98 WeakPolarHBondContact O-CB 3.39Å; S95-L98 PolarHBondContact O-N 2.82Å
96E68.9Low85.6Confident133 Ų13353.7 Ų53.762%0.62127%0.269SS*.G310 helixtrans-51.9-36.7179.9-72.6-168.7166.400113.5L98 F99E96-L98 PolarHBondContact O-N 2.89Å; E96-L98 VanDerWaalsContact O-N 3.15Å; E96-F99 PolarHBondContact O-N 3.47Å; E96-F99 VanDerWaalsContact O-N 3.14Å
97N71.7Confident85.8Confident162 Ų16245.8 Ų45.887%0.86624%0.239SC*.G310 helixtrans-64.6-18.3178.9-62.2-21.7000113.8S95S95-N97 PolarHBondContact O-N 3.06Å; S95-N97 VanDerWaalsContact O-N 3.1Å
98L77.8Confident85.9Confident42 Ų4248.7 Ų48.722%0.2225%0.252CS..G310 helixtrans-97.4-5.3180-61.7171.6000112.6I74 I94 S95 E96 S100 V103I74-L98 HydrophobicContact CD1-CB 4.41Å; I74-L98 HydrophobicContact CD1-CD1 3.87Å; I94-L98 HydrophobicContact CD1-CB 4Å; I94-L98 HydrophobicContact CG1-CB 4.37Å; S95-L98 WeakPolarHBondContact O-CB 3.39Å; S95-L98 PolarHBondContact O-N 2.82Å; E96-L98 PolarHBondContact O-N 2.89Å; E96-L98 VanDerWaalsContact O-N 3.15Å; L98-S100 PolarHBondContact O-N 2.94Å; L98-V103 WeakPolarHBondContact O-CG2 3.3Å
99F75.7Confident85.8Confident68 Ų6849.2 Ų49.230%0.29826%0.256SS..  trans-76.459.8172.3-83.4-82.9000111.7L92 I94 E96 L104L92-F99 HydrophobicContact CB-CE1 4.21Å; L92-F99 HydrophobicContact CB-CZ 4.18Å; L92-F99 HydrophobicContact CD1-CE1 4.41Å; I94-F99 HydrophobicContact CD1-CD1 4.47Å; I94-F99 HydrophobicContact CD1-CD2 4.22Å; I94-F99 HydrophobicContact CD1-CE2 4.29Å; I94-F99 HydrophobicContact CD1-CG 4.35Å; I94-F99 HydrophobicContact CD1-CZ 4.43Å; I94-F99 HydrophobicContact CG1-CD2 3.73Å; I94-F99 HydrophobicContact CG1-CE1 4.36Å; I94-F99 HydrophobicContact CG1-CE2 3.46Å; I94-F99 VanDerWaalsContact CG1-CE2 3.46Å; I94-F99 HydrophobicContact CG1-CG 4.33Å; I94-F99 HydrophobicContact CG1-CZ 3.81Å; I94-F99 WeakPolarHBondContact O-CE2 3.35Å; E96-F99 PolarHBondContact O-N 3.47Å; E96-F99 VanDerWaalsContact O-N 3.14Å; F99-L104 HydrophobicContact CD1-CD2 3.66Å; F99-L104 HydrophobicContact CD1-CG 4.3Å; F99-L104 HydrophobicContact CE1-CD2 4.11Å
100S85.5Confident85.6Confident34 Ų3454 Ų5424%0.23828%0.278CS..  trans-75.5160.3173.7910000111E71 L98 K102 V103 L104E71-S100 WeakPolarHBondContact OE1-CB 3.5Å; E71-S100 PolarHBondContact OE1-OG 3.37Å; L98-S100 PolarHBondContact O-N 2.94Å; S100-K102 PolarHBondContact O-N 3.41Å; S100-K102 VanDerWaalsContact O-N 3.14Å; S100-K102 PolarHBondContact OG-N 3.45Å; S100-V103 PolarHBondContact O-N 2.98Å; S100-V103 PolarHBondContact OG-N 3.15Å; S100-L104 WeakPolarHBondContact O-CG 3.26Å; S100-L104 PolarHBondContact O-N 2.85Å
101N85Confident85.5Confident113 Ų11355.2 Ų55.260%0.60428%0.283SS*.Hα-helixtrans-58-26.3170.9-69.2-3.2000112.6N105N101-N105 WeakPolarHBondContact O-CB 3.44Å; N101-N105 PolarHBondContact O-N 3.21Å; N101-N105 PolarHBondContact O-ND2 3.05Å
102K89.3Confident85.6Confident144 Ų14455.1 Ų55.163%0.62628%0.283SS*.Hα-helixtrans-74.5-43.7179-57.5178.2-176.3167.40111.2E71 I75 S100 N105 A106E71-K102 WeakPolarHBondContact OE1-CB 3.45Å; I75-K102 HydrophobicContact CD1-CB 4Å; S100-K102 PolarHBondContact O-N 3.41Å; S100-K102 VanDerWaalsContact O-N 3.14Å; S100-K102 PolarHBondContact OG-N 3.45Å; K102-N105 PolarHBondContact O-N 3.49Å; K102-A106 WeakPolarHBondContact O-CB 3.24Å; K102-A106 PolarHBondContact O-N 3.06Å
103V90.1Very high85.8Confident0 Ų054.6 Ų54.60%028%0.28CS..Hα-helixtrans-63.4-46.6176.5176.20000110.3E71 I74 I75 I78 L92 I94 L98 S100 N105 A106E71-V103 HydrophobicContact CG-CG2 3.47Å; E71-V103 VanDerWaalsContact CG-CG2 3.47Å; I74-V103 HydrophobicContact CG2-CG1 3.99Å; I75-V103 HydrophobicContact CD1-CG2 4.25Å; I75-V103 HydrophobicContact CG1-CG2 4.05Å; I78-V103 HydrophobicContact CD1-CG1 3.78Å; L92-V103 HydrophobicContact CD1-CG1 4.01Å; I94-V103 HydrophobicContact CD1-CG1 3.84Å; L98-V103 WeakPolarHBondContact O-CG2 3.3Å; S100-V103 PolarHBondContact O-N 2.98Å; S100-V103 PolarHBondContact OG-N 3.15Å; V103-N105 PolarHBondContact O-N 3.05Å; V103-A106 WeakPolarHBondContact O-CB 3.34Å; V103-A106 PolarHBondContact O-N 3.35Å
104L88.8Confident86Confident12 Ų1253.6 Ų53.66%0.06328%0.276CS..Hα-helixtrans-62.4-42.9178.1-70.3179.7000112.4F99 S100 A106 L107 V116 T117F99-L104 HydrophobicContact CD1-CD2 3.66Å; F99-L104 HydrophobicContact CD1-CG 4.3Å; F99-L104 HydrophobicContact CE1-CD2 4.11Å; S100-L104 WeakPolarHBondContact O-CG 3.26Å; S100-L104 PolarHBondContact O-N 2.85Å; L104-A106 VanDerWaalsContact C-N 3.29Å; L104-A106 PolarHBondContact O-N 3.47Å; L104-L107 WeakPolarHBondContact O-CB 3.3Å; L104-L107 PolarHBondContact O-N 2.86Å; L104-V116 HydrophobicContact CD2-CB 3.66Å; L104-V116 HydrophobicContact CD2-CG2 3.48Å; L104-V116 VanDerWaalsContact CD2-CG2 3.48Å; L104-T117 WeakPolarHBondContact O-CG2 3.31Å
105N85.7Confident86.4Confident86 Ų8653.1 Ų53.146%0.4628%0.275SS..Hα-helixtrans-78-10.9178.8-74.1-52.1000114.1N101 K102 V103 L107 D118N101-N105 WeakPolarHBondContact O-CB 3.44Å; N101-N105 PolarHBondContact O-N 3.21Å; N101-N105 PolarHBondContact O-ND2 3.05Å; K102-N105 PolarHBondContact O-N 3.49Å; V103-N105 PolarHBondContact O-N 3.05Å; N105-L107 VanDerWaalsContact C-N 3.29Å; N105-D118 PolarHBondContact ND2-OD2 3.08Å; N105-D118 PolarHBondContact OD1-OD2 2.98Å
106A93.1Very high87.1Confident16 Ų1650.6 Ų50.613%0.13226%0.256CS..Hα-helixtrans-71.3-27.316900000111.6I75 I78 N82 K102 V103 L104I75-A106 HydrophobicContact CG1-CB 4.2Å; I75-A106 HydrophobicContact CG2-CB 4.04Å; I78-A106 HydrophobicContact CB-CB 4.44Å; I78-A106 HydrophobicContact CG2-CB 3.91Å; I78-A106 WeakPolarHBondContact CG2-O 3.42Å; N82-A106 PolarHBondContact ND2-O 2.86Å; K102-A106 WeakPolarHBondContact O-CB 3.24Å; K102-A106 PolarHBondContact O-N 3.06Å; V103-A106 WeakPolarHBondContact O-CB 3.34Å; V103-A106 PolarHBondContact O-N 3.35Å; L104-A106 VanDerWaalsContact C-N 3.29Å; L104-A106 PolarHBondContact O-N 3.47Å
107L92.2Very high88.2Confident4 Ų444.4 Ų44.42%0.02123%0.227CC..SBendtrans-73.8128.7-179.9-178.560.7000111.4I78 L90 L104 N105 P109 D112 V116 T117I78-L107 HydrophobicContact CG2-CB 4.39Å; L90-L107 HydrophobicContact CB-CD1 3.7Å; L90-L107 HydrophobicContact CD2-CD1 3.37Å; L90-L107 HydrophobicContact CG-CD1 3.53Å; L104-L107 WeakPolarHBondContact O-CB 3.3Å; L104-L107 PolarHBondContact O-N 2.86Å; N105-L107 VanDerWaalsContact C-N 3.29Å; L107-P109 WeakPolarHBondContact O-CD 3.38Å; L107-D112 HydrophobicContact CD2-CB 3.63Å; L107-D112 WeakPolarHBondContact CD2-OD1 3.44Å; L107-D112 HydrophobicContact CG-CB 3.92Å; L107-V116 HydrophobicContact CD2-CG2 4.05Å; L107-T117 HydrophobicContact CB-CG2 3.88Å; L107-T117 HydrophobicContact CD2-CG2 4.03Å; L107-T117 HydrophobicContact CG-CG2 3.97Å; L107-T117 WeakPolarHBondContact O-CG2 3.37Å
108K92.3Very high89.2Confident68 Ų6840.1 Ų40.130%0.29620%0.204SC..  trans-66.1125174.6-79.6-179.6-177.6167.60109.8N82 E83 E110 K111 D112N82-K108 HydrophobicContact CB-CD 3.85Å; N82-K108 HydrophobicContact CB-CG 4.05Å; N82-K108 PolarHBondContact ND2-N 3.4Å; N82-K108 PolarHBondContact O-NZ 3.45Å; N82-K108 PolarHBondContact OD1-N 3.43Å; E83-K108 WeakPolarHBondContact OE1-CE 3.43Å; E83-K108 IonicContact OE1-NZ 3.07Å; E83-K108 PolarHBondContact OE1-NZ 2.86Å; E83-K108 IonicContact OE2-NZ 2.7Å; K108-E110 PolarHBondContact O-N 3.21Å; K108-K111 HydrophobicContact CB-CB 4.45Å; K108-K111 PolarHBondContact O-N 2.9Å; K108-D112 PolarHBondContact O-N 3.34Å; K108-D112 VanDerWaalsContact O-N 3.1Å
109P92.1Very high89.9Confident18 Ų1842.3 Ų42.312%0.11722%0.216CC..THydrogen-bonded Turntrans-56.7-28-178.5-24.532.3000114.1L107 K111 I119 N120 F133L107-P109 WeakPolarHBondContact O-CD 3.38Å; P109-K111 VanDerWaalsContact C-N 3.32Å; P109-I119 HydrophobicContact CB-CB 4.02Å; P109-I119 HydrophobicContact CB-CG2 3.83Å; P109-I119 HydrophobicContact CG-CB 3.76Å; P109-I119 HydrophobicContact CG-CD1 3.47Å; P109-I119 VanDerWaalsContact CG-CD1 3.47Å; P109-I119 HydrophobicContact CG-CG1 4.14Å; P109-I119 HydrophobicContact CG-CG2 3.93Å; P109-N120 PolarHBondContact O-ND2 3.48Å; P109-F133 WeakPolarHBondContact O-CD2 3.42Å; P109-F133 WeakPolarHBondContact O-CE2 3.47Å
110E90.3Very high90.7Very high100 Ų10039.2 Ų39.247%0.46720%0.202SC..THydrogen-bonded Turntrans-73.4-24.2178.4-56.972.4-152.800112.6K108 F133 S268K108-E110 PolarHBondContact O-N 3.21Å; E110-F133 WeakPolarHBondContact O-CE2 3.36Å; E110-S268 PolarHBondContact O-OG 3.31Å
111K92.5Very high90.9Very high25 Ų2538.9 Ų38.911%0.10920%0.198CC..THydrogen-bonded Turntrans-100.7-7.8176.8-67.4-175.6173.4-172.30113I81 N82 D84 V87 G89 L90 K108 P109 V113I81-K111 PolarHBondContact O-NZ 3.21Å; N82-K111 PolarHBondContact O-NZ 2.97Å; D84-K111 PolarHBondContact O-NZ 3.14Å; V87-K111 WeakPolarHBondContact O-CE 3.46Å; V87-K111 PolarHBondContact O-NZ 3.27Å; V87-K111 VanDerWaalsContact O-NZ 3.11Å; G89-K111 CarbonylContact C-O 3.03Å; G89-K111 VanDerWaalsContact CA-O 3.29Å; G89-K111 WeakPolarHBondContact CA-O 3.4Å; L90-K111 HydrophobicContact CB-CB 4.47Å; L90-K111 PolarHBondContact N-O 3.45Å; K108-K111 HydrophobicContact CB-CB 4.45Å; K108-K111 PolarHBondContact O-N 2.9Å; P109-K111 VanDerWaalsContact C-N 3.32Å; K111-V113 PolarHBondContact O-N 2.99Å
112D93.9Very high91.3Very high0 Ų035 Ų350%018%0.184CC..BIsolated β-bridgetrans-72.785.3-176.3172.223.4000112.5L107 K108 D114 G115 V116 T117 N120 F133L107-D112 HydrophobicContact CD2-CB 3.63Å; L107-D112 WeakPolarHBondContact CD2-OD1 3.44Å; L107-D112 HydrophobicContact CG-CB 3.92Å; K108-D112 PolarHBondContact O-N 3.34Å; K108-D112 VanDerWaalsContact O-N 3.1Å; D112-D114 PolarHBondContact O-N 3.14Å; D112-D114 PolarHBondContact OD1-N 3.19Å; D112-G115 PolarHBondContact O-N 3.21Å; D112-G115 WeakPolarHBondContact OD1-CA 3.46Å; D112-G115 PolarHBondContact OD1-N 3Å; D112-G115 VanDerWaalsContact OD2-C 3.27Å; D112-G115 VanDerWaalsContact OD2-CA 3.29Å; D112-G115 WeakPolarHBondContact OD2-CA 3.09Å; D112-V116 WeakPolarHBondContact OD1-CG2 3.32Å; D112-V116 PolarHBondContact OD1-N 2.79Å; D112-V116 PolarHBondContact OD2-N 3.39Å; D112-T117 HydrophobicContact CB-CG2 3.81Å; D112-T117 WeakPolarHBondContact OD2-CB 3.21Å; D112-T117 VanDerWaalsContact OD2-CG2 3.26Å; D112-T117 WeakPolarHBondContact OD2-CG2 3.42Å; D112-T117 PolarHBondContact OD2-N 3.01Å; D112-T117 PolarHBondContact OD2-OG1 2.74Å; D112-N120 WeakPolarHBondContact CB-ND2 3.28Å; D112-N120 PolarHBondContact OD2-ND2 3.43Å; D112-F133 WeakPolarHBondContact O-CB 3.44Å; D112-F133 WeakPolarHBondContact O-CD2 3.31Å; D112-F133 VanDerWaalsContact O-CG 3.25Å; D112-F133 WeakPolarHBondContact O-CG 3.45Å
113V93.6Very high91.5Very high0 Ų030.5 Ų30.50%017%0.165CC..THydrogen-bonded Turntrans-75.3-13.7-178-630000113.4L34 A91 K111 R261 N264 M265L34-V113 HydrophobicContact CD1-CG1 4.47Å; L34-V113 HydrophobicContact CD1-CG2 3.7Å; A91-V113 HydrophobicContact CB-CG2 3.94Å; K111-V113 PolarHBondContact O-N 2.99Å; V113-R261 HydrophobicContact CB-CG 4.35Å; V113-R261 HydrophobicContact CG2-CG 3.8Å; V113-N264 HydrophobicContact CB-CB 4.11Å; V113-N264 WeakPolarHBondContact O-CB 3.49Å; V113-N264 PolarHBondContact O-ND2 2.88Å; V113-M265 HydrophobicContact CG1-CB 4.07Å; V113-M265 HydrophobicContact CG1-SD 4.24Å
114D91.3Very high91.6Very high16 Ų1630.7 Ų30.79%0.08617%0.166CC..THydrogen-bonded Turntrans-94.7-4.4175.6-71.6-37.6000112.7A91 D112 V116 S135 P136 R261A91-D114 WeakPolarHBondContact CA-OD2 3.32Å; A91-D114 VanDerWaalsContact CB-OD2 3.24Å; A91-D114 WeakPolarHBondContact CB-OD2 3.24Å; D112-D114 PolarHBondContact O-N 3.14Å; D112-D114 PolarHBondContact OD1-N 3.19Å; D114-V116 VanDerWaalsContact C-N 3.25Å; D114-V116 HydrophobicContact CB-CG1 3.94Å; D114-V116 HydrophobicContact CB-CG2 4.49Å; D114-V116 PolarHBondContact O-N 3.42Å; D114-S135 VanDerWaalsContact O-CA 3.25Å; D114-S135 WeakPolarHBondContact O-CA 3.48Å; D114-P136 WeakPolarHBondContact O-CD 3.39Å; D114-R261 IonicContact OD1-CZ 3.3Å; D114-R261 IonicContact OD1-NE 2.72Å; D114-R261 PolarHBondContact OD1-NE 3.34Å; D114-R261 IonicContact OD1-NH2 2.72Å; D114-R261 PolarHBondContact OD1-NH2 2.99Å; D114-R261 IonicContact OD2-NE 3.12Å; D114-R261 IonicContact OD2-NH2 3.01Å
115G90.6Very high91.7Very high6 Ų634 Ų346%0.06219%0.186CC..  trans61.631176.800000113.7D112 F133D112-G115 PolarHBondContact O-N 3.21Å; D112-G115 WeakPolarHBondContact OD1-CA 3.46Å; D112-G115 PolarHBondContact OD1-N 3Å; D112-G115 VanDerWaalsContact OD2-C 3.27Å; D112-G115 VanDerWaalsContact OD2-CA 3.29Å; D112-G115 WeakPolarHBondContact OD2-CA 3.09Å; G115-F133 WeakPolarHBondContact CA-O 3.38Å
116V89Confident92Very high16 Ų1638.8 Ų38.810%0.09720%0.198CC..  trans-93.1-13.7-172.6-65.40000113.9L104 L107 D112 D114L104-V116 HydrophobicContact CD2-CB 3.66Å; L104-V116 HydrophobicContact CD2-CG2 3.48Å; L104-V116 VanDerWaalsContact CD2-CG2 3.48Å; L107-V116 HydrophobicContact CD2-CG2 4.05Å; D112-V116 WeakPolarHBondContact OD1-CG2 3.32Å; D112-V116 PolarHBondContact OD1-N 2.79Å; D112-V116 PolarHBondContact OD2-N 3.39Å; D114-V116 VanDerWaalsContact C-N 3.25Å; D114-V116 HydrophobicContact CB-CG1 3.94Å; D114-V116 HydrophobicContact CB-CG2 4.49Å; D114-V116 PolarHBondContact O-N 3.42Å
117T91.9Very high91.7Very high2 Ų239.2 Ų39.21%0.01220%0.204CC..SBendtrans-67.7149.5177.8570000111.9L104 L107 D112 I119 N120 L121L104-T117 WeakPolarHBondContact O-CG2 3.31Å; L107-T117 HydrophobicContact CB-CG2 3.88Å; L107-T117 HydrophobicContact CD2-CG2 4.03Å; L107-T117 HydrophobicContact CG-CG2 3.97Å; L107-T117 WeakPolarHBondContact O-CG2 3.37Å; D112-T117 HydrophobicContact CB-CG2 3.81Å; D112-T117 WeakPolarHBondContact OD2-CB 3.21Å; D112-T117 VanDerWaalsContact OD2-CG2 3.26Å; D112-T117 WeakPolarHBondContact OD2-CG2 3.42Å; D112-T117 PolarHBondContact OD2-N 3.01Å; D112-T117 PolarHBondContact OD2-OG1 2.74Å; T117-I119 PolarHBondContact O-N 3.1Å; T117-N120 PolarHBondContact O-N 3.1Å; T117-N120 VanDerWaalsContact O-N 3.15Å; T117-N120 WeakPolarHBondContact OG1-CB 3.3Å; T117-N120 PolarHBondContact OG1-N 3.38Å; T117-N120 PolarHBondContact OG1-ND2 3.11Å; T117-L121 WeakPolarHBondContact O-CB 3.21Å; T117-L121 PolarHBondContact O-N 3.49Å
118D91.8Very high91.4Very high72 Ų7241 Ų4139%0.38521%0.213SC..Hα-helixtrans-57.1-34.2176.2-69.4-19.8000112N105 G122N105-D118 PolarHBondContact ND2-OD2 3.08Å; N105-D118 PolarHBondContact OD1-OD2 2.98Å; D118-G122 WeakPolarHBondContact O-CA 3.37Å; D118-G122 PolarHBondContact O-N 3.46Å
119I92.8Very high90.8Very high89 Ų8939.9 Ų39.946%0.45622%0.217SC..Hα-helixtrans-68.4-46.8178.2-70.2170.4000111.4P109 T117 K123P109-I119 HydrophobicContact CB-CB 4.02Å; P109-I119 HydrophobicContact CB-CG2 3.83Å; P109-I119 HydrophobicContact CG-CB 3.76Å; P109-I119 HydrophobicContact CG-CD1 3.47Å; P109-I119 VanDerWaalsContact CG-CD1 3.47Å; P109-I119 HydrophobicContact CG-CG1 4.14Å; P109-I119 HydrophobicContact CG-CG2 3.93Å; T117-I119 PolarHBondContact O-N 3.1Å; I119-K123 HydrophobicContact CG2-CD 4.3Å; I119-K123 WeakPolarHBondContact O-CB 3.31Å; I119-K123 VanDerWaalsContact O-CG 3.26Å; I119-K123 WeakPolarHBondContact O-CG 3.34Å; I119-K123 PolarHBondContact O-N 2.99Å
120N92.6Very high90.4Very high2 Ų245.6 Ų45.61%0.01124%0.242CC..Hα-helixtrans-68.2-41.7178.4-80.9-39.5000111.8P109 D112 T117 K123 L124 C132 F133P109-N120 PolarHBondContact O-ND2 3.48Å; D112-N120 WeakPolarHBondContact CB-ND2 3.28Å; D112-N120 PolarHBondContact OD2-ND2 3.43Å; T117-N120 PolarHBondContact O-N 3.1Å; T117-N120 VanDerWaalsContact O-N 3.15Å; T117-N120 WeakPolarHBondContact OG1-CB 3.3Å; T117-N120 PolarHBondContact OG1-N 3.38Å; T117-N120 PolarHBondContact OG1-ND2 3.11Å; N120-K123 PolarHBondContact O-N 2.89Å; N120-L124 PolarHBondContact O-N 3.04Å; N120-C132 HydrophobicContact CB-CB 4.16Å; N120-C132 WeakPolarHBondContact O-CB 3.49Å; N120-C132 VanDerWaalsContact OD1-CA 3.31Å; N120-C132 WeakPolarHBondContact OD1-CA 3.24Å; N120-C132 WeakPolarHBondContact OD1-CB 3.32Å; N120-F133 PolarHBondContact OD1-N 3.1Å
121L91.2Very high90Very high28 Ų2845.7 Ų45.715%0.14724%0.242CC..Hα-helixtrans-63.3-45.4176-176.563.1000111.6T117 K123 L124 V125 A169 A170T117-L121 WeakPolarHBondContact O-CB 3.21Å; T117-L121 PolarHBondContact O-N 3.49Å; L121-K123 VanDerWaalsContact C-N 3.34Å; L121-K123 PolarHBondContact O-N 3.01Å; L121-L124 WeakPolarHBondContact O-CB 3.46Å; L121-L124 PolarHBondContact O-N 3.44Å; L121-V125 WeakPolarHBondContact O-CG2 3.22Å; L121-V125 PolarHBondContact O-N 2.88Å; L121-A169 HydrophobicContact CD1-CB 3.84Å; L121-A169 HydrophobicContact CD2-CB 3.96Å; L121-A169 HydrophobicContact CG-CB 4.36Å; L121-A170 HydrophobicContact CD1-CB 4.39Å
122G92.8Very high89.9Confident31 Ų3144.7 Ų44.732%0.3224%0.239SC..Hα-helixtrans-60.6-41177.600000112.8D118 V125 R126D118-G122 WeakPolarHBondContact O-CA 3.37Å; D118-G122 PolarHBondContact O-N 3.46Å; G122-V125 PolarHBondContact O-N 2.88Å; G122-R126 WeakPolarHBondContact O-CB 3.49Å; G122-R126 WeakPolarHBondContact O-CG 3.31Å; G122-R126 PolarHBondContact O-N 3.19Å
123K92.9Very high89.9Confident50 Ų5045 Ų4522%0.21724%0.24CC..Hα-helixtrans-63.1-43.2173.2-75.6172.3176.9178.50112.1I119 N120 L121 R126 G127 D128 E131 C132I119-K123 HydrophobicContact CG2-CD 4.3Å; I119-K123 WeakPolarHBondContact O-CB 3.31Å; I119-K123 VanDerWaalsContact O-CG 3.26Å; I119-K123 WeakPolarHBondContact O-CG 3.34Å; I119-K123 PolarHBondContact O-N 2.99Å; N120-K123 PolarHBondContact O-N 2.89Å; L121-K123 VanDerWaalsContact C-N 3.34Å; L121-K123 PolarHBondContact O-N 3.01Å; K123-R126 PolarHBondContact O-N 3.21Å; K123-G127 PolarHBondContact O-N 2.85Å; K123-D128 HydrophobicContact CB-CB 4.27Å; K123-D128 PolarHBondContact O-N 3.25Å; K123-E131 HydrophobicContact CD-CB 4.35Å; K123-E131 WeakPolarHBondContact CD-O 3.26Å; K123-E131 PolarHBondContact NZ-O 3.2Å; K123-C132 HydrophobicContact CB-CB 3.61Å; K123-C132 HydrophobicContact CD-CB 3.88Å; K123-C132 HydrophobicContact CG-CB 4.44Å
124L92.6Very high89.8Confident4 Ų446 Ų462%0.02125%0.246CC..Hα-helixtrans-59.4-48.3176.1176.559.9000111.3N120 L121 R126 G127 A129 V134 A170 L174 R177N120-L124 PolarHBondContact O-N 3.04Å; L121-L124 WeakPolarHBondContact O-CB 3.46Å; L121-L124 PolarHBondContact O-N 3.44Å; L124-R126 PolarHBondContact O-N 3.27Å; L124-G127 PolarHBondContact O-N 3.21Å; L124-A129 HydrophobicContact CD1-CB 4.22Å; L124-V134 HydrophobicContact CD1-CG2 4.07Å; L124-V134 HydrophobicContact CD2-CG1 4.29Å; L124-A170 HydrophobicContact CD2-CB 3.98Å; L124-L174 HydrophobicContact CD1-CD2 4.13Å; L124-R177 PolarHBondContact O-NH2 3.22Å
125V91.6Very high89.9Confident81 Ų8146 Ų4649%0.49125%0.247SC..Hα-helixtrans-62.4-44.2179.9173.10000111.3L121 G122 G127 C173 R177L121-V125 WeakPolarHBondContact O-CG2 3.22Å; L121-V125 PolarHBondContact O-N 2.88Å; G122-V125 PolarHBondContact O-N 2.88Å; V125-G127 VanDerWaalsContact C-N 3.26Å; V125-G127 PolarHBondContact O-N 3.47Å; V125-C173 HydrophobicContact CG2-CB 4.5Å; V125-R177 PolarHBondContact O-NH2 3.39Å
126R90.9Very high90Very high186 Ų18645.8 Ų45.870%0.70225%0.245SC*.Hα-helixtrans-62.6-29175.2-80.4166.736.2156.8-6.5114G122 K123 L124 D128G122-R126 WeakPolarHBondContact O-CB 3.49Å; G122-R126 WeakPolarHBondContact O-CG 3.31Å; G122-R126 PolarHBondContact O-N 3.19Å; K123-R126 PolarHBondContact O-N 3.21Å; L124-R126 PolarHBondContact O-N 3.27Å; R126-D128 IonicContact CZ-OD2 3.89Å; R126-D128 IonicContact NE-OD2 3.34Å; R126-D128 PolarHBondContact NE-OD2 3.5Å; R126-D128 IonicContact NH2-OD2 3.92Å; R126-D128 PolarHBondContact NH2-OD2 2.98Å
127G86.2Confident90Very high26 Ų2646.9 Ų46.927%0.26825%0.251SS..THydrogen-bonded Turntrans106.39.8-178.700000115K123 L124 V125 A129K123-G127 PolarHBondContact O-N 2.85Å; L124-G127 PolarHBondContact O-N 3.21Å; V125-G127 VanDerWaalsContact C-N 3.26Å; V125-G127 PolarHBondContact O-N 3.47Å; G127-A129 PolarHBondContact O-N 3.47Å; G127-A129 VanDerWaalsContact O-N 3.08Å
128D86.8Confident90Very high40 Ų4046.8 Ų46.821%0.21425%0.251CS..  trans-8642.4175.2-54.3-49.7000110.7K123 R126 H130 E131K123-D128 HydrophobicContact CB-CB 4.27Å; K123-D128 PolarHBondContact O-N 3.25Å; R126-D128 IonicContact CZ-OD2 3.89Å; R126-D128 IonicContact NE-OD2 3.34Å; R126-D128 PolarHBondContact NE-OD2 3.5Å; R126-D128 IonicContact NH2-OD2 3.92Å; R126-D128 PolarHBondContact NH2-OD2 2.98Å; D128-H130 PolarHBondContact O-N 3.37Å; D128-E131 HydrophobicContact CB-CB 4.48Å; D128-E131 PolarHBondContact O-N 3.44Å
129A80.2Confident90Very high45 Ų4546.1 Ų46.137%0.37224%0.244SC..THydrogen-bonded Turntrans-60.2-19.7-173.900000113.4L124 G127 E131L124-A129 HydrophobicContact CD1-CB 4.22Å; G127-A129 PolarHBondContact O-N 3.47Å; G127-A129 VanDerWaalsContact O-N 3.08Å; A129-E131 VanDerWaalsContact C-N 3.33Å
130H82.2Confident89.9Confident139 Ų13941.9 Ų41.964%0.64422%0.223SC*.THydrogen-bonded Turntrans-75.6-19.2174.565.6-78.6000113.4D128 R271D128-H130 PolarHBondContact O-N 3.37Å; H130-R271 PolarHBondContact O-NH2 3.36Å
131E82.6Confident89.8Confident101 Ų10141.8 Ų41.847%0.47222%0.222SC..SBendtrans-105.12.7-179.7-56.7-161154.800114.1K123 D128 A129K123-E131 HydrophobicContact CD-CB 4.35Å; K123-E131 WeakPolarHBondContact CD-O 3.26Å; K123-E131 PolarHBondContact NZ-O 3.2Å; D128-E131 HydrophobicContact CB-CB 4.48Å; D128-E131 PolarHBondContact O-N 3.44Å; A129-E131 VanDerWaalsContact C-N 3.33Å
132C91.3Very high89.8Confident5 Ų541 Ų413%0.03422%0.218CC..SBendtrans-121.4173.3177.979.30000112.1N120 K123 R271N120-C132 HydrophobicContact CB-CB 4.16Å; N120-C132 WeakPolarHBondContact O-CB 3.49Å; N120-C132 VanDerWaalsContact OD1-CA 3.31Å; N120-C132 WeakPolarHBondContact OD1-CA 3.24Å; N120-C132 WeakPolarHBondContact OD1-CB 3.32Å; K123-C132 HydrophobicContact CB-CB 3.61Å; K123-C132 HydrophobicContact CD-CB 3.88Å; K123-C132 HydrophobicContact CG-CB 4.44Å; C132-R271 PolarHBondContact O-NH1 3.22Å; C132-R271 PolarHBondContact O-NH2 3.22Å
133F92.8Very high89.6Confident6 Ų640.5 Ų40.53%0.02621%0.207CC..PPolyproline II helixtrans-100136.7161.5-60.2-75.9000108.6P109 E110 D112 G115 N120 N264 R271P109-F133 WeakPolarHBondContact O-CD2 3.42Å; P109-F133 WeakPolarHBondContact O-CE2 3.47Å; E110-F133 WeakPolarHBondContact O-CE2 3.36Å; D112-F133 WeakPolarHBondContact O-CB 3.44Å; D112-F133 WeakPolarHBondContact O-CD2 3.31Å; D112-F133 VanDerWaalsContact O-CG 3.25Å; D112-F133 WeakPolarHBondContact O-CG 3.45Å; G115-F133 WeakPolarHBondContact CA-O 3.38Å; N120-F133 PolarHBondContact OD1-N 3.1Å; F133-N264 HydrophobicContact CD1-CB 4.01Å; F133-N264 WeakPolarHBondContact CE1-O 3.4Å; F133-R271 VanDerWaalsContact CE2-NH1 3.34Å
134V92.6Very high89.3Confident21 Ų2138.4 Ų38.413%0.12720%0.198CC..PPolyproline II helixtrans-98.9139.7179.1-178.90000108.1L124 P136 K139 L174 N264L124-V134 HydrophobicContact CD1-CG2 4.07Å; L124-V134 HydrophobicContact CD2-CG1 4.29Å; V134-P136 WeakPolarHBondContact O-CD 3.12Å; V134-P136 VanDerWaalsContact O-N 3.16Å; V134-K139 HydrophobicContact CG1-CB 4.31Å; V134-L174 HydrophobicContact CG1-CD1 3.88Å; V134-L174 HydrophobicContact CG1-CD2 4.37Å; V134-N264 PolarHBondContact O-ND2 3.48Å
135S92.4Very high88.9Confident15 Ų1538.2 Ų38.211%0.10520%0.197CC..PPolyproline II helixtrans-46.8119.9175.6172.50000111.6D114 V137 A138 K139D114-S135 VanDerWaalsContact O-CA 3.25Å; D114-S135 WeakPolarHBondContact O-CA 3.48Å; S135-V137 PolarHBondContact O-N 3.46Å; S135-A138 PolarHBondContact O-N 3.27Å; S135-A138 PolarHBondContact OG-N 2.99Å; S135-K139 WeakPolarHBondContact O-CB 3.38Å; S135-K139 PolarHBondContact O-N 2.95Å
136P92.6Very high88.6Confident3 Ų337.5 Ų37.52%0.01919%0.189CC..Hα-helixtrans-58.3-36.3178.5-25.633.7000112.4D114 V134 A140 A257 L260 R261D114-P136 WeakPolarHBondContact O-CD 3.39Å; V134-P136 WeakPolarHBondContact O-CD 3.12Å; V134-P136 VanDerWaalsContact O-N 3.16Å; P136-A140 VanDerWaalsContact O-CB 3.26Å; P136-A140 WeakPolarHBondContact O-CB 3.28Å; P136-A140 PolarHBondContact O-N 3.31Å; P136-A257 HydrophobicContact CB-CB 4.26Å; P136-A257 WeakPolarHBondContact CB-O 3.37Å; P136-L260 HydrophobicContact CB-CB 4Å; P136-R261 HydrophobicContact CB-CB 4.28Å; P136-R261 HydrophobicContact CG-CB 3.96Å
137V90Very high87.8Confident39 Ų3934 Ų3424%0.23618%0.179CC..Hα-helixtrans-64.9-54.1175.3-179.50000110.2S135 K139 A140 V141 L167 C226 A257S135-V137 PolarHBondContact O-N 3.46Å; V137-K139 VanDerWaalsContact C-N 3.27Å; V137-K139 PolarHBondContact O-N 3.4Å; V137-A140 WeakPolarHBondContact O-CB 3.44Å; V137-A140 PolarHBondContact O-N 3.06Å; V137-A140 VanDerWaalsContact O-N 3.11Å; V137-V141 WeakPolarHBondContact O-CG2 3.26Å; V137-V141 PolarHBondContact O-N 3.36Å; V137-V141 VanDerWaalsContact O-N 3.07Å; V137-L167 HydrophobicContact CB-CD1 3.97Å; V137-L167 HydrophobicContact CG1-CD1 3.85Å; V137-L167 HydrophobicContact CG1-CD2 4.27Å; V137-C226 HydrophobicContact CG1-CB 4.08Å; V137-A257 HydrophobicContact CG2-CB 4.03Å
138A91.6Very high86.9Confident0 Ų034.8 Ų34.80%018%0.18CC..Hα-helixtrans-59.5-39.7-179.400000112S135 V141 I142 L167 A170 L171 L174S135-A138 PolarHBondContact O-N 3.27Å; S135-A138 PolarHBondContact OG-N 2.99Å; A138-V141 WeakPolarHBondContact O-CB 3.46Å; A138-V141 PolarHBondContact O-N 3.16Å; A138-I142 WeakPolarHBondContact O-CG1 3.17Å; A138-I142 PolarHBondContact O-N 3.48Å; A138-L167 HydrophobicContact CB-CD1 4.09Å; A138-A170 HydrophobicContact CB-CB 3.89Å; A138-L171 HydrophobicContact CB-CD2 3.86Å; A138-L171 HydrophobicContact CB-CG 3.99Å; A138-L174 HydrophobicContact CB-CD1 3.82Å
139K92.1Very high85.9Confident57 Ų5735.7 Ų35.725%0.24819%0.187CC..Hα-helixtrans-68.5-38.6176.8-173.9176.2177.3-173.60112.3V134 S135 V137 V141 I142 E143 L260V134-K139 HydrophobicContact CG1-CB 4.31Å; S135-K139 WeakPolarHBondContact O-CB 3.38Å; S135-K139 PolarHBondContact O-N 2.95Å; V137-K139 VanDerWaalsContact C-N 3.27Å; V137-K139 PolarHBondContact O-N 3.4Å; K139-V141 VanDerWaalsContact C-N 3.32Å; K139-V141 PolarHBondContact O-N 3.41Å; K139-I142 PolarHBondContact O-N 2.91Å; K139-E143 VanDerWaalsContact CE-OE1 3.24Å; K139-E143 WeakPolarHBondContact CE-OE1 3.33Å; K139-E143 HydrophobicContact CG-CG 4.47Å; K139-E143 WeakPolarHBondContact O-CG 3.46Å; K139-E143 PolarHBondContact O-N 2.95Å; K139-L260 HydrophobicContact CB-CD1 3.96Å; K139-L260 HydrophobicContact CD-CD1 4.15Å; K139-L260 HydrophobicContact CD-CD2 3.94Å; K139-L260 HydrophobicContact CG-CD1 3.83Å; K139-L260 HydrophobicContact CG-CD2 4.41Å
140A90.9Very high85.3Confident0 Ų036.4 Ų36.40%020%0.198CC..Hα-helixtrans-59.6-43175.100000111.6P136 V137 I142 E143 L144 V253 L256 A257 L260P136-A140 VanDerWaalsContact O-CB 3.26Å; P136-A140 WeakPolarHBondContact O-CB 3.28Å; P136-A140 PolarHBondContact O-N 3.31Å; V137-A140 WeakPolarHBondContact O-CB 3.44Å; V137-A140 PolarHBondContact O-N 3.06Å; V137-A140 VanDerWaalsContact O-N 3.11Å; A140-I142 PolarHBondContact O-N 3.31Å; A140-E143 PolarHBondContact O-N 3.33Å; A140-L144 WeakPolarHBondContact O-CB 3.28Å; A140-L144 WeakPolarHBondContact O-CD1 3.16Å; A140-L144 VanDerWaalsContact O-CG 3.31Å; A140-L144 WeakPolarHBondContact O-CG 3.43Å; A140-L144 PolarHBondContact O-N 3.46Å; A140-V253 HydrophobicContact CB-CG1 4.29Å; A140-L256 HydrophobicContact CB-CB 4.09Å; A140-L256 HydrophobicContact CB-CD2 4Å; A140-L256 HydrophobicContact CB-CG 3.97Å; A140-A257 HydrophobicContact CB-CB 4.2Å; A140-L260 HydrophobicContact CB-CD1 3.97Å
141V89.9Confident85.2Confident0 Ų031.1 Ų31.10%018%0.176CC..Hα-helixtrans-55-51.8175.3174.80000111.1V137 A138 K139 L144 L145 L171 F175 V203 L224 C226 V253V137-V141 WeakPolarHBondContact O-CG2 3.26Å; V137-V141 PolarHBondContact O-N 3.36Å; V137-V141 VanDerWaalsContact O-N 3.07Å; A138-V141 WeakPolarHBondContact O-CB 3.46Å; A138-V141 PolarHBondContact O-N 3.16Å; K139-V141 VanDerWaalsContact C-N 3.32Å; K139-V141 PolarHBondContact O-N 3.41Å; V141-L144 PolarHBondContact O-N 3.3Å; V141-L145 HydrophobicContact CG1-CD1 4.01Å; V141-L145 VanDerWaalsContact O-CG 3.28Å; V141-L145 WeakPolarHBondContact O-CG 3.35Å; V141-L145 PolarHBondContact O-N 3.45Å; V141-L145 VanDerWaalsContact O-N 3.16Å; V141-L171 HydrophobicContact CB-CD2 3.95Å; V141-L171 HydrophobicContact CG1-CD2 3.97Å; V141-L171 HydrophobicContact CG2-CD2 4.01Å; V141-F175 HydrophobicContact CG1-CE1 4.47Å; V141-F175 HydrophobicContact CG1-CE2 4.32Å; V141-F175 HydrophobicContact CG1-CZ 3.61Å; V141-V203 HydrophobicContact CG1-CG1 4.36Å; V141-V203 HydrophobicContact CG1-CG2 4.07Å; V141-L224 HydrophobicContact CB-CD1 4.49Å; V141-L224 HydrophobicContact CB-CD2 4.44Å; V141-L224 HydrophobicContact CG1-CD1 4.1Å; V141-L224 HydrophobicContact CG1-CD2 4.29Å; V141-L224 HydrophobicContact CG2-CD2 3.75Å; V141-C226 WeakPolarHBondContact CG2-SG 3.47Å; V141-V253 HydrophobicContact CG2-CG1 4.49Å
142I90.3Very high85.2Confident12 Ų1232 Ų326%0.06218%0.184CC..Hα-helixtrans-62-47.7179.4-56.9-59.1000110.9A138 K139 A140 L144 L145 E146 L153 L174 F175A138-I142 WeakPolarHBondContact O-CG1 3.17Å; A138-I142 PolarHBondContact O-N 3.48Å; K139-I142 PolarHBondContact O-N 2.91Å; A140-I142 PolarHBondContact O-N 3.31Å; I142-L144 VanDerWaalsContact C-N 3.34Å; I142-L144 PolarHBondContact O-N 3.45Å; I142-L145 PolarHBondContact O-N 3.07Å; I142-E146 HydrophobicContact CG2-CG 4.35Å; I142-E146 WeakPolarHBondContact O-CG 3.36Å; I142-E146 PolarHBondContact O-N 3.11Å; I142-L153 HydrophobicContact CD1-CD1 4.29Å; I142-L153 HydrophobicContact CG2-CD1 4.19Å; I142-L174 HydrophobicContact CD1-CB 4.07Å; I142-L174 HydrophobicContact CG1-CB 4Å; I142-L174 HydrophobicContact CG1-CD1 4.11Å; I142-F175 HydrophobicContact CD1-CD1 3.33Å; I142-F175 HydrophobicContact CD1-CD2 4.5Å; I142-F175 HydrophobicContact CD1-CE1 3.24Å; I142-F175 HydrophobicContact CD1-CE2 4.41Å; I142-F175 HydrophobicContact CD1-CG 4Å; I142-F175 HydrophobicContact CD1-CZ 3.83Å
143E88.9Confident85Confident20 Ų2031.7 Ų31.79%0.09318%0.182CC..Hα-helixtrans-64.3-36.8-177.6-74.5-157.5-152.100113K139 A140 K147 L256K139-E143 VanDerWaalsContact CE-OE1 3.24Å; K139-E143 WeakPolarHBondContact CE-OE1 3.33Å; K139-E143 HydrophobicContact CG-CG 4.47Å; K139-E143 WeakPolarHBondContact O-CG 3.46Å; K139-E143 PolarHBondContact O-N 2.95Å; A140-E143 PolarHBondContact O-N 3.33Å; E143-K147 VanDerWaalsContact O-CB 3.26Å; E143-K147 WeakPolarHBondContact O-CB 3.38Å; E143-K147 PolarHBondContact O-N 2.88Å; E143-K147 IonicContact OE2-NZ 2.69Å; E143-K147 PolarHBondContact OE2-NZ 2.98Å; E143-L256 HydrophobicContact CB-CD2 4.09Å
144L86.3Confident84.9Confident6 Ų636.4 Ų36.43%0.03121%0.207CC..Iπ-helixtrans-69.5-42.1178.1-72.3161.3000111.5A140 V141 I142 S148 V149 L224 I248 V253 L256A140-L144 WeakPolarHBondContact O-CB 3.28Å; A140-L144 WeakPolarHBondContact O-CD1 3.16Å; A140-L144 VanDerWaalsContact O-CG 3.31Å; A140-L144 WeakPolarHBondContact O-CG 3.43Å; A140-L144 PolarHBondContact O-N 3.46Å; V141-L144 PolarHBondContact O-N 3.3Å; I142-L144 VanDerWaalsContact C-N 3.34Å; I142-L144 PolarHBondContact O-N 3.45Å; L144-S148 WeakPolarHBondContact O-CA 3.24Å; L144-S148 VanDerWaalsContact O-CB 3.25Å; L144-S148 WeakPolarHBondContact O-CB 3.43Å; L144-S148 PolarHBondContact O-N 2.73Å; L144-S148 VanDerWaalsContact O-N 3.08Å; L144-V149 PolarHBondContact O-N 3.3Å; L144-V149 VanDerWaalsContact O-N 3.14Å; L144-L224 HydrophobicContact CB-CD1 4.41Å; L144-I248 HydrophobicContact CB-CD1 3.88Å; L144-I248 HydrophobicContact CD1-CG2 4.11Å; L144-V253 HydrophobicContact CD1-CB 4.25Å; L144-V253 HydrophobicContact CD1-CG2 3.7Å; L144-L256 HydrophobicContact CD1-CD2 4.06Å; L144-L256 HydrophobicContact CD2-CD2 4.07Å; L144-L256 HydrophobicContact CG-CD2 3.69Å
145L85.7Confident84.6Confident0 Ų037.9 Ų37.90%023%0.227CC..Iπ-helixtrans-63.6-45.9176.7-68.5170.5000111.7V141 I142 G150 V151 L153 F175 I201 T222 L224 I248V141-L145 HydrophobicContact CG1-CD1 4.01Å; V141-L145 VanDerWaalsContact O-CG 3.28Å; V141-L145 WeakPolarHBondContact O-CG 3.35Å; V141-L145 PolarHBondContact O-N 3.45Å; V141-L145 VanDerWaalsContact O-N 3.16Å; I142-L145 PolarHBondContact O-N 3.07Å; L145-G150 PolarHBondContact O-N 3.01Å; L145-V151 PolarHBondContact O-N 2.9Å; L145-L153 HydrophobicContact CB-CD2 4.18Å; L145-L153 HydrophobicContact CD1-CD2 4.18Å; L145-F175 HydrophobicContact CD1-CE1 3.72Å; L145-F175 HydrophobicContact CD1-CZ 3.92Å; L145-I201 HydrophobicContact CD1-CD1 4.4Å; L145-I201 HydrophobicContact CD1-CG2 4.14Å; L145-I201 HydrophobicContact CD2-CD1 4.49Å; L145-I201 HydrophobicContact CD2-CG2 4.12Å; L145-T222 HydrophobicContact CD2-CG2 3.67Å; L145-L224 HydrophobicContact CD2-CD1 4.24Å; L145-L224 HydrophobicContact CG-CD1 4.1Å; L145-I248 HydrophobicContact CD2-CD1 4.29Å
146E83.9Confident84.6Confident66 Ų6640.7 Ų40.731%0.30824%0.237SC..Iπ-helixtrans-75.3-49.8-177.4-68.5-173.7148.600112.8I142 G150 L153 K178I142-E146 HydrophobicContact CG2-CG 4.35Å; I142-E146 WeakPolarHBondContact O-CG 3.36Å; I142-E146 PolarHBondContact O-N 3.11Å; E146-G150 VanDerWaalsContact O-CA 3.31Å; E146-G150 WeakPolarHBondContact O-CA 3.47Å; E146-G150 PolarHBondContact O-N 3.16Å; E146-L153 HydrophobicContact CG-CD1 3.86Å; E146-L153 HydrophobicContact CG-CG 4.23Å; E146-K178 VanDerWaalsContact CD-NZ 3.3Å; E146-K178 WeakPolarHBondContact OE1-CD 3.14Å; E146-K178 VanDerWaalsContact OE1-CE 3.29Å; E146-K178 WeakPolarHBondContact OE1-CE 3.23Å; E146-K178 IonicContact OE1-NZ 2.93Å; E146-K178 PolarHBondContact OE1-NZ 2.89Å; E146-K178 IonicContact OE2-NZ 2.63Å; E146-K178 PolarHBondContact OE2-NZ 2.85Å; E146-K178 VanDerWaalsContact OE2-NZ 3.07Å
147K74.9Confident84.6Confident114 Ų11445 Ų4550%0.49626%0.256SS..Iπ-helixtrans-91.9-34.4-169.4-61.5178.4179.9171.50113.8E143E143-K147 VanDerWaalsContact O-CB 3.26Å; E143-K147 WeakPolarHBondContact O-CB 3.38Å; E143-K147 PolarHBondContact O-N 2.88Å; E143-K147 IonicContact OE2-NZ 2.69Å; E143-K147 PolarHBondContact OE2-NZ 2.98Å
148S65.8Low84.8Confident42 Ų4243.4 Ų43.429%0.29425%0.246SC..Iπ-helixtrans-94-36.6-173.6-580000112.3L144L144-S148 WeakPolarHBondContact O-CA 3.24Å; L144-S148 VanDerWaalsContact O-CB 3.25Å; L144-S148 WeakPolarHBondContact O-CB 3.43Å; L144-S148 PolarHBondContact O-N 2.73Å; L144-S148 VanDerWaalsContact O-N 3.08Å
149V65.8Low84.8Confident58 Ų5843.5 Ų43.535%0.35225%0.246SC..Iπ-helixtrans-99-22.7179.2-169.70000111.8L144 V151 I248L144-V149 PolarHBondContact O-N 3.3Å; L144-V149 VanDerWaalsContact O-N 3.14Å; V149-V151 HydrophobicContact CB-CG2 3.85Å; V149-V151 HydrophobicContact CG1-CG2 3.48Å; V149-V151 VanDerWaalsContact CG1-CG2 3.48Å; V149-I248 HydrophobicContact CG2-CD1 3.58Å; V149-I248 HydrophobicContact CG2-CG1 3.87Å
150G69.4Low84.8Confident60 Ų6040.8 Ų40.862%0.61923%0.234SC*.  trans75.426.2179.700000113L145 E146L145-G150 PolarHBondContact O-N 3.01Å; E146-G150 VanDerWaalsContact O-CA 3.31Å; E146-G150 WeakPolarHBondContact O-CA 3.47Å; E146-G150 PolarHBondContact O-N 3.16Å
151V78.3Confident84.7Confident29 Ų2940.8 Ų40.818%0.17623%0.234CC..  trans-80.7124.5-178-177.20000109.6L145 V149 L153 I201L145-V151 PolarHBondContact O-N 2.9Å; V149-V151 HydrophobicContact CB-CG2 3.85Å; V149-V151 HydrophobicContact CG1-CG2 3.48Å; V149-V151 VanDerWaalsContact CG1-CG2 3.48Å; V151-L153 HydrophobicContact CG1-CD2 4.28Å; V151-L153 PolarHBondContact O-N 2.78Å; V151-I201 HydrophobicContact CG1-CD1 3.92Å
152N83.4Confident84.4Confident118 Ų11840.8 Ų40.863%0.63123%0.234SC*.  trans-76.2119163.8-174.83.7000108.8D154 K156N152-D154 WeakPolarHBondContact OD1-CB 3.33Å; N152-D154 PolarHBondContact OD1-N 2.97Å; N152-D154 VanDerWaalsContact OD1-N 3.11Å; N152-K156 WeakPolarHBondContact O-CG 3.4Å
153L87.9Confident84.1Confident0 Ų040.4 Ų40.40%023%0.233CC..  trans-80-18.7-177.1-62.9179.3000112.8I142 L145 E146 V151 G155 K156 I158 F175 K178 S180 I201I142-L153 HydrophobicContact CD1-CD1 4.29Å; I142-L153 HydrophobicContact CG2-CD1 4.19Å; L145-L153 HydrophobicContact CB-CD2 4.18Å; L145-L153 HydrophobicContact CD1-CD2 4.18Å; E146-L153 HydrophobicContact CG-CD1 3.86Å; E146-L153 HydrophobicContact CG-CG 4.23Å; V151-L153 HydrophobicContact CG1-CD2 4.28Å; V151-L153 PolarHBondContact O-N 2.78Å; L153-G155 PolarHBondContact O-N 2.85Å; L153-K156 WeakPolarHBondContact O-CB 3.44Å; L153-K156 PolarHBondContact O-N 3.23Å; L153-I158 HydrophobicContact CD2-CD1 4.25Å; L153-F175 HydrophobicContact CD1-CD1 4.28Å; L153-F175 HydrophobicContact CD1-CE1 4.39Å; L153-F175 HydrophobicContact CD2-CE1 4.42Å; L153-K178 HydrophobicContact CB-CB 4.02Å; L153-K178 HydrophobicContact CD1-CB 4.12Å; L153-K178 HydrophobicContact CD1-CG 4.14Å; L153-S180 WeakPolarHBondContact CB-OG 3.29Å; L153-S180 WeakPolarHBondContact O-CB 3.49Å; L153-S180 PolarHBondContact O-OG 3.49Å; L153-I201 HydrophobicContact CD2-CD1 3.68Å
154D90.3Very high83.7Confident104 Ų10444 Ų4456%0.55625%0.249SC*.THydrogen-bonded Turntrans-63.1129.6-178.3-172.428.8000111.7N152 K156 K178 G179N152-D154 WeakPolarHBondContact OD1-CB 3.33Å; N152-D154 PolarHBondContact OD1-N 2.97Å; N152-D154 VanDerWaalsContact OD1-N 3.11Å; D154-K156 PolarHBondContact O-N 2.59Å; D154-K178 WeakPolarHBondContact CA-O 3.4Å; D154-G179 WeakPolarHBondContact OD1-CA 3.47Å
155G87.2Confident83.6Confident52 Ų5246.2 Ų46.254%0.53627%0.274SS..THydrogen-bonded Turntrans70.7-0.2-177.900000116L153 G179L153-G155 PolarHBondContact O-N 2.85Å; G155-G179 PolarHBondContact N-O 3.22Å
156K91.3Very high83.5Confident74 Ų7447.4 Ų47.432%0.32228%0.282SS..  trans-77143.8179.4-68.6-69180-179.20112.6N152 L153 D154 I158 S180 M181 D200N152-K156 WeakPolarHBondContact O-CG 3.4Å; L153-K156 WeakPolarHBondContact O-CB 3.44Å; L153-K156 PolarHBondContact O-N 3.23Å; D154-K156 PolarHBondContact O-N 2.59Å; K156-I158 HydrophobicContact CB-CG1 4.45Å; K156-S180 CarbonylContact O-C 3.55Å; K156-S180 WeakPolarHBondContact O-CA 3.36Å; K156-S180 WeakPolarHBondContact O-CB 3.39Å; K156-M181 PolarHBondContact O-N 2.9Å; K156-D200 HydrophobicContact CB-CB 4.32Å; K156-D200 HydrophobicContact CD-CB 3.69Å; K156-D200 IonicContact NZ-OD1 3.52Å; K156-D200 PolarHBondContact NZ-OD1 2.72Å
157K92.7Very high83.7Confident95 Ų9546 Ų4641%0.41328%0.277SS..EExtended strand (participates in β ladder)trans-88.1113.4172.6-64.8179.7-173.1178.50110.3M181 E198 D200 I201K157-M181 CarbonylContact C-O 3.53Å; K157-M181 WeakPolarHBondContact CA-O 3.34Å; K157-M181 HydrophobicContact CG-CB 4.36Å; K157-M181 HydrophobicContact CG-SD 4.4Å; K157-E198 WeakPolarHBondContact CD-O 3.36Å; K157-D200 PolarHBondContact N-OD2 2.92Å; K157-D200 PolarHBondContact O-N 3.17Å; K157-I201 PolarHBondContact O-N 3.46Å
158I93.1Very high84.4Confident4 Ų442.7 Ų42.72%0.02126%0.263CS..EExtended strand (participates in β ladder)trans-112.6125.1-175.4-54.4-172.9000109.3L153 K156 F175 S180 M181 T182 M183 I201 V203L153-I158 HydrophobicContact CD2-CD1 4.25Å; K156-I158 HydrophobicContact CB-CG1 4.45Å; I158-F175 HydrophobicContact CD1-CB 4.05Å; I158-F175 HydrophobicContact CD1-CD1 3.16Å; I158-F175 HydrophobicContact CD1-CD2 4.31Å; I158-F175 HydrophobicContact CD1-CE1 3.49Å; I158-F175 VanDerWaalsContact CD1-CE1 3.49Å; I158-F175 HydrophobicContact CD1-CG 3.63Å; I158-F175 HydrophobicContact CD1-CZ 4.2Å; I158-F175 HydrophobicContact CG2-CD1 4.45Å; I158-F175 HydrophobicContact CG2-CD2 3.88Å; I158-F175 HydrophobicContact CG2-CE1 4.32Å; I158-F175 HydrophobicContact CG2-CE2 3.75Å; I158-F175 HydrophobicContact CG2-CG 4.24Å; I158-F175 HydrophobicContact CG2-CZ 3.98Å; I158-S180 VanDerWaalsContact CD1-CB 3.46Å; I158-S180 WeakPolarHBondContact CD1-OG 3.36Å; I158-M181 PolarHBondContact N-O 2.72Å; I158-T182 HydrophobicContact CB-CG2 4.28Å; I158-T182 HydrophobicContact CG2-CG2 4.34Å; I158-T182 CarbonylContact O-C 3.58Å; I158-T182 WeakPolarHBondContact O-CA 3.35Å; I158-M183 PolarHBondContact O-N 3.21Å; I158-I201 WeakPolarHBondContact CA-O 3.48Å; I158-I201 HydrophobicContact CD1-CD1 4.12Å; I158-I201 HydrophobicContact CG1-CB 4.19Å; I158-I201 HydrophobicContact CG1-CD1 4.25Å; I158-I201 HydrophobicContact CG2-CB 4.42Å; I158-V203 HydrophobicContact CG2-CG2 4.38Å
159L92.8Very high85.5Confident3 Ų342 Ų422%0.01626%0.26CS..EExtended strand (participates in β ladder)trans-110116.2176.4-172.969.1000110.1V161 M183 I185 K195 L196 A199 I201 V202 V203L159-V161 HydrophobicContact CD2-CG2 3.83Å; L159-V161 HydrophobicContact CG-CG2 3.8Å; L159-M183 CarbonylContact C-O 3.48Å; L159-M183 WeakPolarHBondContact CA-O 3.38Å; L159-M183 HydrophobicContact CD1-CB 4.27Å; L159-M183 HydrophobicContact CD1-CE 3.53Å; L159-M183 HydrophobicContact CD1-CG 4.43Å; L159-I185 HydrophobicContact CD1-CB 4.32Å; L159-I185 HydrophobicContact CD1-CG2 3.76Å; L159-I185 HydrophobicContact CD2-CG2 4.28Å; L159-I185 HydrophobicContact CG-CG2 4.09Å; L159-K195 HydrophobicContact CD1-CB 4.25Å; L159-K195 HydrophobicContact CD2-CB 4.08Å; L159-L196 HydrophobicContact CD2-CD2 3.79Å; L159-L196 HydrophobicContact CD2-CG 4Å; L159-A199 HydrophobicContact CB-CB 3.78Å; L159-I201 PolarHBondContact N-O 2.89Å; L159-V202 HydrophobicContact CB-CG2 4.47Å; L159-V202 CarbonylContact O-C 3.56Å; L159-V202 WeakPolarHBondContact O-CA 3.12Å; L159-V203 PolarHBondContact O-N 3.15Å
160V91.7Very high86.8Confident0 Ų039.3 Ų39.30%024%0.244CC..EExtended strand (participates in β ladder)trans-95.3119.2172.5-176.30000108.2A163 L171 F175 T182 M183 S184 I185 V203V160-A163 HydrophobicContact CG1-CB 3.54Å; V160-L171 HydrophobicContact CG1-CD1 4.12Å; V160-L171 HydrophobicContact CG2-CB 4.44Å; V160-F175 HydrophobicContact CG2-CE2 4.41Å; V160-T182 HydrophobicContact CG2-CG2 4.13Å; V160-M183 PolarHBondContact N-O 3.27Å; V160-S184 CarbonylContact O-C 3.54Å; V160-S184 VanDerWaalsContact O-CA 3.22Å; V160-S184 WeakPolarHBondContact O-CA 3.49Å; V160-I185 PolarHBondContact O-N 3.5Å; V160-V203 CarbonylContact C-O 3.57Å; V160-V203 WeakPolarHBondContact CA-O 3.25Å; V160-V203 HydrophobicContact CG2-CB 4.36Å
161V88.6Confident87.9Confident0 Ų036.5 Ų36.50%022%0.215CC..EExtended strand (participates in β ladder)trans-113.7122-174.2-171.90000110.2L159 A163 I185 W187 L192 L196 V202 V203 L204 G205L159-V161 HydrophobicContact CD2-CG2 3.83Å; L159-V161 HydrophobicContact CG-CG2 3.8Å; V161-A163 VanDerWaalsContact C-N 3.25Å; V161-A163 PolarHBondContact O-N 2.87Å; V161-I185 CarbonylContact C-O 3.49Å; V161-I185 WeakPolarHBondContact CA-O 3.38Å; V161-I185 HydrophobicContact CB-CG2 4.28Å; V161-I185 HydrophobicContact CG1-CG2 4.15Å; V161-I185 HydrophobicContact CG2-CG2 3.83Å; V161-W187 HydrophobicContact CB-CH2 4.44Å; V161-W187 HydrophobicContact CB-CZ2 4.43Å; V161-W187 HydrophobicContact CG1-CD2 3.6Å; V161-W187 HydrophobicContact CG1-CE3 3.52Å; V161-W187 HydrophobicContact CG1-CG 4.33Å; V161-W187 HydrophobicContact CG1-CH2 3.86Å; V161-W187 HydrophobicContact CG1-CZ2 3.89Å; V161-W187 HydrophobicContact CG1-CZ3 3.67Å; V161-L192 HydrophobicContact CG1-CD1 4.08Å; V161-L192 HydrophobicContact CG2-CD1 4.39Å; V161-L196 HydrophobicContact CG2-CD2 4.27Å; V161-V202 HydrophobicContact CG2-CG1 4.12Å; V161-V203 PolarHBondContact N-O 2.77Å; V161-L204 HydrophobicContact CB-CD2 4.12Å; V161-L204 HydrophobicContact CG2-CD2 4.45Å; V161-G205 PolarHBondContact O-N 3.39Å
162G83.3Confident88.5Confident0 Ų037.8 Ų37.80%022%0.219CC..SBendtrans71.113.7171.700000115.3H164 I185 G205 S206G162-H164 PolarHBondContact O-CD2 2.82Å; G162-I185 PolarHBondContact N-O 3.29Å; G162-G205 CarbonylContact O-C 3.45Å; G162-S206 VanDerWaalsContact CA-OG 3.25Å; G162-S206 WeakPolarHBondContact CA-OG 3.25Å; G162-S206 VanDerWaalsContact O-CB 3.25Å; G162-S206 WeakPolarHBondContact O-CB 3.15Å; G162-S206 PolarHBondContact O-N 3.2Å; G162-S206 PolarHBondContact O-OG 3.35Å
163A83.8Confident89Confident4 Ų432.7 Ų32.73%0.03319%0.193CC..  trans-76155.8164.500000110.1V160 V161 E168 Q186V160-A163 HydrophobicContact CG1-CB 3.54Å; V161-A163 VanDerWaalsContact C-N 3.25Å; V161-A163 PolarHBondContact O-N 2.87Å; A163-E168 HydrophobicContact CB-CB 3.95Å; A163-E168 HydrophobicContact CB-CG 4.36Å; A163-Q186 PolarHBondContact O-NE2 3.03Å
164H81.6Confident89.3Confident94 Ų9434.2 Ų34.244%0.43520%0.2SC..  trans-138.9162.7178.3-62.2-74.4000111.7G162 E168 Q186G162-H164 PolarHBondContact O-CD2 2.82Å; H164-E168 PolarHBondContact O-N 2.91Å; H164-Q186 PolarHBondContact CE1-NE2 2.87Å; H164-Q186 PolarHBondContact CE1-OE1 3.1Å; H164-Q186 PolarHBondContact ND1-NE2 3.15Å; H164-Q186 PolarHBondContact NE2-OE1 3.2Å
165G83.8Confident89.4Confident54 Ų5429.2 Ų29.256%0.55717%0.174SC*.Hα-helixtrans59.4-133.9165.600000114.7L167 E168 A169G165-L167 PolarHBondContact O-N 2.92Å; G165-E168 PolarHBondContact O-N 3.14Å; G165-A169 PolarHBondContact O-N 2.91Å
166S84.3Confident89.7Confident24 Ų2432 Ų3217%0.16817%0.173CC..Hα-helixtrans-65.2-35.9-175.256.80000113.3A170S166-A170 VanDerWaalsContact O-CB 3.26Å; S166-A170 WeakPolarHBondContact O-CB 3.25Å; S166-A170 PolarHBondContact O-N 3.17Å
167L86.9Confident89.6Confident36 Ų3634.7 Ų34.719%0.18818%0.181CC..Hα-helixtrans-67.3-45.4178.4178.559.7000111.7V137 A138 G165 A170 L171V137-L167 HydrophobicContact CB-CD1 3.97Å; V137-L167 HydrophobicContact CG1-CD1 3.85Å; V137-L167 HydrophobicContact CG1-CD2 4.27Å; A138-L167 HydrophobicContact CB-CD1 4.09Å; G165-L167 PolarHBondContact O-N 2.92Å; L167-A170 PolarHBondContact O-N 2.84Å; L167-L171 HydrophobicContact CD1-CD1 4.02Å; L167-L171 HydrophobicContact CD1-CG 4.15Å; L167-L171 HydrophobicContact CG-CD1 4.04Å; L167-L171 WeakPolarHBondContact O-CB 3.43Å; L167-L171 WeakPolarHBondContact O-CG 3.35Å; L167-L171 PolarHBondContact O-N 3.38Å
168E89.8Confident89.5Confident45 Ų4534.4 Ų34.421%0.2118%0.18CC..Hα-helixtrans-58.4-50.5177.3-175.9-174.2174.400111A163 H164 G165 A170 L171 Q172 S184A163-E168 HydrophobicContact CB-CB 3.95Å; A163-E168 HydrophobicContact CB-CG 4.36Å; H164-E168 PolarHBondContact O-N 2.91Å; G165-E168 PolarHBondContact O-N 3.14Å; E168-A170 PolarHBondContact O-N 3.07Å; E168-L171 PolarHBondContact O-N 2.87Å; E168-Q172 WeakPolarHBondContact O-CB 3.26Å; E168-Q172 WeakPolarHBondContact O-CG 3.29Å; E168-Q172 PolarHBondContact O-N 3.05Å; E168-S184 WeakPolarHBondContact CG-OG 3.23Å; E168-S184 WeakPolarHBondContact OE1-CB 3.4Å; E168-S184 PolarHBondContact OE1-OG 2.71Å
169A90.2Very high89.3Confident27 Ų2735.9 Ų35.922%0.22320%0.196CC..Hα-helixtrans-63.2-40.2-179.800000112.3L121 G165 C173L121-A169 HydrophobicContact CD1-CB 3.84Å; L121-A169 HydrophobicContact CD2-CB 3.96Å; L121-A169 HydrophobicContact CG-CB 4.36Å; G165-A169 PolarHBondContact O-N 2.91Å; A169-C173 VanDerWaalsContact O-CB 3.26Å; A169-C173 WeakPolarHBondContact O-CB 3.37Å; A169-C173 PolarHBondContact O-N 3.42Å
170A91.8Very high89.3Confident3 Ų336 Ų363%0.02520%0.197CC..Hα-helixtrans-64.1-46.5176.500000111.9L121 L124 A138 S166 L167 E168 C173 L174L121-A170 HydrophobicContact CD1-CB 4.39Å; L124-A170 HydrophobicContact CD2-CB 3.98Å; A138-A170 HydrophobicContact CB-CB 3.89Å; S166-A170 VanDerWaalsContact O-CB 3.26Å; S166-A170 WeakPolarHBondContact O-CB 3.25Å; S166-A170 PolarHBondContact O-N 3.17Å; L167-A170 PolarHBondContact O-N 2.84Å; E168-A170 PolarHBondContact O-N 3.07Å; A170-C173 PolarHBondContact O-N 3.05Å; A170-L174 WeakPolarHBondContact O-CB 3.45Å; A170-L174 VanDerWaalsContact O-CG 3.24Å; A170-L174 WeakPolarHBondContact O-CG 3.21Å; A170-L174 PolarHBondContact O-N 2.9Å
171L92.4Very high89.4Confident0 Ų042 Ų420%023%0.227CC..Hα-helixtrans-61.2-50.3177.6-76.5169.8000111.5A138 V141 V160 L167 E168 C173 L174 F175 V203A138-L171 HydrophobicContact CB-CD2 3.86Å; A138-L171 HydrophobicContact CB-CG 3.99Å; V141-L171 HydrophobicContact CB-CD2 3.95Å; V141-L171 HydrophobicContact CG1-CD2 3.97Å; V141-L171 HydrophobicContact CG2-CD2 4.01Å; V160-L171 HydrophobicContact CG1-CD1 4.12Å; V160-L171 HydrophobicContact CG2-CB 4.44Å; L167-L171 HydrophobicContact CD1-CD1 4.02Å; L167-L171 HydrophobicContact CD1-CG 4.15Å; L167-L171 HydrophobicContact CG-CD1 4.04Å; L167-L171 WeakPolarHBondContact O-CB 3.43Å; L167-L171 WeakPolarHBondContact O-CG 3.35Å; L167-L171 PolarHBondContact O-N 3.38Å; E168-L171 PolarHBondContact O-N 2.87Å; L171-C173 VanDerWaalsContact C-N 3.32Å; L171-C173 PolarHBondContact O-N 2.85Å; L171-L174 PolarHBondContact O-N 3.46Å; L171-F175 HydrophobicContact CB-CD2 4.35Å; L171-F175 HydrophobicContact CB-CE2 4.27Å; L171-F175 HydrophobicContact CD2-CE2 3.95Å; L171-F175 WeakPolarHBondContact O-CB 3.39Å; L171-F175 WeakPolarHBondContact O-CD2 3.46Å; L171-F175 WeakPolarHBondContact O-CG 3.41Å; L171-F175 PolarHBondContact O-N 2.81Å; L171-V203 HydrophobicContact CD1-CG1 4.15Å
172Q92.6Very high89.5Confident56 Ų5643 Ų4326%0.26223%0.233SC..Hα-helixtrans-54.6-49.4177.1-76-178.1-11.400111.5E168 Q176 T182 S184E168-Q172 WeakPolarHBondContact O-CB 3.26Å; E168-Q172 WeakPolarHBondContact O-CG 3.29Å; E168-Q172 PolarHBondContact O-N 3.05Å; Q172-Q176 WeakPolarHBondContact O-CB 3.47Å; Q172-Q176 WeakPolarHBondContact O-CG 3.46Å; Q172-Q176 PolarHBondContact O-N 2.78Å; Q172-T182 HydrophobicContact CG-CG2 4.27Å; Q172-S184 WeakPolarHBondContact CG-OG 3.21Å; Q172-S184 PolarHBondContact NE2-OG 3.4Å
173C93.1Very high89.9Confident12 Ų1246.7 Ų46.78%0.08125%0.251CS..Hα-helixtrans-62.1-47.2-179-175.30000112V125 A169 A170 L171 Q176 R177V125-C173 HydrophobicContact CG2-CB 4.5Å; A169-C173 VanDerWaalsContact O-CB 3.26Å; A169-C173 WeakPolarHBondContact O-CB 3.37Å; A169-C173 PolarHBondContact O-N 3.42Å; A170-C173 PolarHBondContact O-N 3.05Å; L171-C173 VanDerWaalsContact C-N 3.32Å; L171-C173 PolarHBondContact O-N 2.85Å; C173-Q176 PolarHBondContact O-N 3.3Å; C173-R177 WeakPolarHBondContact O-CB 3.29Å; C173-R177 VanDerWaalsContact O-CG 3.26Å; C173-R177 WeakPolarHBondContact O-CG 3.39Å; C173-R177 PolarHBondContact O-N 3.3Å; C173-R177 PolarHBondContact SG-NE 3.25Å
174L93.2Very high90.2Very high31 Ų3147.8 Ų47.816%0.16226%0.259CS..Hα-helixtrans-64.2-44.1-178.3-71.8174.5000111.9L124 V134 A138 I142 A170 L171 R177 K178L124-L174 HydrophobicContact CD1-CD2 4.13Å; V134-L174 HydrophobicContact CG1-CD1 3.88Å; V134-L174 HydrophobicContact CG1-CD2 4.37Å; A138-L174 HydrophobicContact CB-CD1 3.82Å; I142-L174 HydrophobicContact CD1-CB 4.07Å; I142-L174 HydrophobicContact CG1-CB 4Å; I142-L174 HydrophobicContact CG1-CD1 4.11Å; A170-L174 WeakPolarHBondContact O-CB 3.45Å; A170-L174 VanDerWaalsContact O-CG 3.24Å; A170-L174 WeakPolarHBondContact O-CG 3.21Å; A170-L174 PolarHBondContact O-N 2.9Å; L171-L174 PolarHBondContact O-N 3.46Å; L174-R177 PolarHBondContact O-N 2.79Å; L174-K178 VanDerWaalsContact O-CG 3.31Å; L174-K178 WeakPolarHBondContact O-CG 3.39Å; L174-K178 PolarHBondContact O-N 3.45Å
175F93.8Very high90.6Very high0 Ų044.1 Ų44.10%024%0.242CC..Hα-helixtrans-66.1-44177.8-74.3-54.5000112.5V141 I142 L145 L153 I158 V160 L171 R177 K178 G179 S180 T182 V203V141-F175 HydrophobicContact CG1-CE1 4.47Å; V141-F175 HydrophobicContact CG1-CE2 4.32Å; V141-F175 HydrophobicContact CG1-CZ 3.61Å; I142-F175 HydrophobicContact CD1-CD1 3.33Å; I142-F175 HydrophobicContact CD1-CD2 4.5Å; I142-F175 HydrophobicContact CD1-CE1 3.24Å; I142-F175 HydrophobicContact CD1-CE2 4.41Å; I142-F175 HydrophobicContact CD1-CG 4Å; I142-F175 HydrophobicContact CD1-CZ 3.83Å; L145-F175 HydrophobicContact CD1-CE1 3.72Å; L145-F175 HydrophobicContact CD1-CZ 3.92Å; L153-F175 HydrophobicContact CD1-CD1 4.28Å; L153-F175 HydrophobicContact CD1-CE1 4.39Å; L153-F175 HydrophobicContact CD2-CE1 4.42Å; I158-F175 HydrophobicContact CD1-CB 4.05Å; I158-F175 HydrophobicContact CD1-CD1 3.16Å; I158-F175 HydrophobicContact CD1-CD2 4.31Å; I158-F175 HydrophobicContact CD1-CE1 3.49Å; I158-F175 VanDerWaalsContact CD1-CE1 3.49Å; I158-F175 HydrophobicContact CD1-CG 3.63Å; I158-F175 HydrophobicContact CD1-CZ 4.2Å; I158-F175 HydrophobicContact CG2-CD1 4.45Å; I158-F175 HydrophobicContact CG2-CD2 3.88Å; I158-F175 HydrophobicContact CG2-CE1 4.32Å; I158-F175 HydrophobicContact CG2-CE2 3.75Å; I158-F175 HydrophobicContact CG2-CG 4.24Å; I158-F175 HydrophobicContact CG2-CZ 3.98Å; V160-F175 HydrophobicContact CG2-CE2 4.41Å; L171-F175 HydrophobicContact CB-CD2 4.35Å; L171-F175 HydrophobicContact CB-CE2 4.27Å; L171-F175 HydrophobicContact CD2-CE2 3.95Å; L171-F175 WeakPolarHBondContact O-CB 3.39Å; L171-F175 WeakPolarHBondContact O-CD2 3.46Å; L171-F175 WeakPolarHBondContact O-CG 3.41Å; L171-F175 PolarHBondContact O-N 2.81Å; F175-R177 VanDerWaalsContact C-N 3.3Å; F175-R177 PolarHBondContact O-N 2.83Å; F175-K178 CarbonylContact O-C 3.35Å; F175-K178 WeakPolarHBondContact O-CA 3.47Å; F175-K178 WeakPolarHBondContact O-CB 3.37Å; F175-K178 PolarHBondContact O-N 2.94Å; F175-G179 PolarHBondContact O-N 2.91Å; F175-S180 WeakPolarHBondContact O-CB 3.42Å; F175-S180 PolarHBondContact O-N 3.46Å; F175-S180 VanDerWaalsContact O-N 3.08Å; F175-S180 PolarHBondContact O-OG 2.85Å; F175-T182 HydrophobicContact CB-CG2 4.13Å; F175-T182 WeakPolarHBondContact CB-OG1 3.35Å; F175-T182 HydrophobicContact CD2-CG2 4.06Å; F175-V203 HydrophobicContact CE2-CG2 4Å; F175-V203 HydrophobicContact CZ-CG2 3.88Å
176Q92.4Very high90.8Very high110 Ų11044.5 Ų44.551%0.51423%0.229SC..Hα-helixtrans-60.5-40.1176-73.5172.1-2.800112Q172 C173 K178 G179Q172-Q176 WeakPolarHBondContact O-CB 3.47Å; Q172-Q176 WeakPolarHBondContact O-CG 3.46Å; Q172-Q176 PolarHBondContact O-N 2.78Å; C173-Q176 PolarHBondContact O-N 3.3Å; Q176-K178 PolarHBondContact O-N 3.47Å; Q176-G179 PolarHBondContact O-N 3.35Å
177R90.4Very high90.8Very high130 Ų13045 Ų4549%0.49123%0.227SC..Hα-helixtrans-65-20.8175.1-75.4176.4-179.8-78.1-15.6113.5L124 V125 C173 L174 F175 G179L124-R177 PolarHBondContact O-NH2 3.22Å; V125-R177 PolarHBondContact O-NH2 3.39Å; C173-R177 WeakPolarHBondContact O-CB 3.29Å; C173-R177 VanDerWaalsContact O-CG 3.26Å; C173-R177 WeakPolarHBondContact O-CG 3.39Å; C173-R177 PolarHBondContact O-N 3.3Å; C173-R177 PolarHBondContact SG-NE 3.25Å; L174-R177 PolarHBondContact O-N 2.79Å; F175-R177 VanDerWaalsContact C-N 3.3Å; F175-R177 PolarHBondContact O-N 2.83Å; R177-G179 VanDerWaalsContact C-N 3.33Å
178K90.3Very high90.6Very high89 Ų8953.2 Ų53.239%0.38726%0.262SS..THydrogen-bonded Turntrans-90.25.3174.1-66.6-70.9-172.3150.90113.2E146 L153 D154 L174 F175 Q176E146-K178 VanDerWaalsContact CD-NZ 3.3Å; E146-K178 WeakPolarHBondContact OE1-CD 3.14Å; E146-K178 VanDerWaalsContact OE1-CE 3.29Å; E146-K178 WeakPolarHBondContact OE1-CE 3.23Å; E146-K178 IonicContact OE1-NZ 2.93Å; E146-K178 PolarHBondContact OE1-NZ 2.89Å; E146-K178 IonicContact OE2-NZ 2.63Å; E146-K178 PolarHBondContact OE2-NZ 2.85Å; E146-K178 VanDerWaalsContact OE2-NZ 3.07Å; L153-K178 HydrophobicContact CB-CB 4.02Å; L153-K178 HydrophobicContact CD1-CB 4.12Å; L153-K178 HydrophobicContact CD1-CG 4.14Å; D154-K178 WeakPolarHBondContact CA-O 3.4Å; L174-K178 VanDerWaalsContact O-CG 3.31Å; L174-K178 WeakPolarHBondContact O-CG 3.39Å; L174-K178 PolarHBondContact O-N 3.45Å; F175-K178 CarbonylContact O-C 3.35Å; F175-K178 WeakPolarHBondContact O-CA 3.47Å; F175-K178 WeakPolarHBondContact O-CB 3.37Å; F175-K178 PolarHBondContact O-N 2.94Å; Q176-K178 PolarHBondContact O-N 3.47Å
179G89.4Confident90.4Very high35 Ų3553.8 Ų53.836%0.36127%0.268SS..THydrogen-bonded Turntrans87.47.9178.400000114.4D154 G155 F175 Q176 R177D154-G179 WeakPolarHBondContact OD1-CA 3.47Å; G155-G179 PolarHBondContact N-O 3.22Å; F175-G179 PolarHBondContact O-N 2.91Å; Q176-G179 PolarHBondContact O-N 3.35Å; R177-G179 VanDerWaalsContact C-N 3.33Å
180S92.8Very high90Very high7 Ų764.7 Ų64.75%0.04930%0.304CS..  trans-83.4144.7-178.4-46.80000113.2L153 K156 I158 F175 T182L153-S180 WeakPolarHBondContact CB-OG 3.29Å; L153-S180 WeakPolarHBondContact O-CB 3.49Å; L153-S180 PolarHBondContact O-OG 3.49Å; K156-S180 CarbonylContact O-C 3.55Å; K156-S180 WeakPolarHBondContact O-CA 3.36Å; K156-S180 WeakPolarHBondContact O-CB 3.39Å; I158-S180 VanDerWaalsContact CD1-CB 3.46Å; I158-S180 WeakPolarHBondContact CD1-OG 3.36Å; F175-S180 WeakPolarHBondContact O-CB 3.42Å; F175-S180 PolarHBondContact O-N 3.46Å; F175-S180 VanDerWaalsContact O-N 3.08Å; F175-S180 PolarHBondContact O-OG 2.85Å; S180-T182 PolarHBondContact O-N 2.83Å
181M92Very high89.7Confident125 Ų12570.6 Ų70.662%0.61633%0.331SS*.EExtended strand (participates in β ladder)trans-81.299.9168.1-62.6-178.673.500109.4K156 K157 I158K156-M181 PolarHBondContact O-N 2.9Å; K157-M181 CarbonylContact C-O 3.53Å; K157-M181 WeakPolarHBondContact CA-O 3.34Å; K157-M181 HydrophobicContact CG-CB 4.36Å; K157-M181 HydrophobicContact CG-SD 4.4Å; I158-M181 PolarHBondContact N-O 2.72Å
182T92.2Very high89.3Confident21 Ų2170.8 Ų70.813%0.12933%0.332CS..EExtended strand (participates in β ladder)trans-107.7134.5-171.9-48.70000112I158 V160 Q172 F175 S180I158-T182 HydrophobicContact CB-CG2 4.28Å; I158-T182 HydrophobicContact CG2-CG2 4.34Å; I158-T182 CarbonylContact O-C 3.58Å; I158-T182 WeakPolarHBondContact O-CA 3.35Å; V160-T182 HydrophobicContact CG2-CG2 4.13Å; Q172-T182 HydrophobicContact CG-CG2 4.27Å; F175-T182 HydrophobicContact CB-CG2 4.13Å; F175-T182 WeakPolarHBondContact CB-OG1 3.35Å; F175-T182 HydrophobicContact CD2-CG2 4.06Å; S180-T182 PolarHBondContact O-N 2.83Å
183M91.1Very high89Confident78 Ų7873.3 Ų73.338%0.38434%0.344SS..EExtended strand (participates in β ladder)trans-132.7140.2175.1-174.2170.665.100110.1I158 L159 V160 K195I158-M183 PolarHBondContact O-N 3.21Å; L159-M183 CarbonylContact C-O 3.48Å; L159-M183 WeakPolarHBondContact CA-O 3.38Å; L159-M183 HydrophobicContact CD1-CB 4.27Å; L159-M183 HydrophobicContact CD1-CE 3.53Å; L159-M183 HydrophobicContact CD1-CG 4.43Å; V160-M183 PolarHBondContact N-O 3.27Å; M183-K195 HydrophobicContact CE-CB 3.78Å; M183-K195 HydrophobicContact CE-CD 3.63Å; M183-K195 HydrophobicContact CE-CG 3.53Å
184S90.2Very high88.7Confident27 Ų2775.3 Ų75.319%0.18936%0.357CS..EExtended strand (participates in β ladder)trans-108.1143.4171.4-64.20000111.7V160 E168 Q172V160-S184 CarbonylContact O-C 3.54Å; V160-S184 VanDerWaalsContact O-CA 3.22Å; V160-S184 WeakPolarHBondContact O-CA 3.49Å; E168-S184 WeakPolarHBondContact CG-OG 3.23Å; E168-S184 WeakPolarHBondContact OE1-CB 3.4Å; E168-S184 PolarHBondContact OE1-OG 2.71Å; Q172-S184 WeakPolarHBondContact CG-OG 3.21Å; Q172-S184 PolarHBondContact NE2-OG 3.4Å
185I90Very high88.5Confident17 Ų1776 Ų769%0.08736%0.359CS..EExtended strand (participates in β ladder)trans-144.8153.9-178-164.2163000110.9L159 V160 V161 G162 T189 L192 K195L159-I185 HydrophobicContact CD1-CB 4.32Å; L159-I185 HydrophobicContact CD1-CG2 3.76Å; L159-I185 HydrophobicContact CD2-CG2 4.28Å; L159-I185 HydrophobicContact CG-CG2 4.09Å; V160-I185 PolarHBondContact O-N 3.5Å; V161-I185 CarbonylContact C-O 3.49Å; V161-I185 WeakPolarHBondContact CA-O 3.38Å; V161-I185 HydrophobicContact CB-CG2 4.28Å; V161-I185 HydrophobicContact CG1-CG2 4.15Å; V161-I185 HydrophobicContact CG2-CG2 3.83Å; G162-I185 PolarHBondContact N-O 3.29Å; I185-T189 HydrophobicContact CD1-CG2 3.51Å; I185-T189 HydrophobicContact CG1-CG2 3.65Å; I185-T189 VanDerWaalsContact CG1-OG1 3.28Å; I185-T189 WeakPolarHBondContact CG1-OG1 3.44Å; I185-L192 HydrophobicContact CD1-CB 4.48Å; I185-L192 HydrophobicContact CD1-CD1 4.25Å; I185-L192 HydrophobicContact CG1-CD1 4.49Å; I185-L192 HydrophobicContact CG2-CD1 3.7Å; I185-K195 HydrophobicContact CD1-CG 4.45Å
186Q88Confident88.1Confident62 Ų6276.3 Ų76.329%0.2936%0.361SS..  trans-95.5152.6175.3-65.3-58.5-34.200110.9A163 H164 K188 T189A163-Q186 PolarHBondContact O-NE2 3.03Å; H164-Q186 PolarHBondContact CE1-NE2 2.87Å; H164-Q186 PolarHBondContact CE1-OE1 3.1Å; H164-Q186 PolarHBondContact ND1-NE2 3.15Å; H164-Q186 PolarHBondContact NE2-OE1 3.2Å; Q186-K188 PolarHBondContact O-N 3.08Å; Q186-T189 PolarHBondContact N-OG1 3.19Å; Q186-T189 WeakPolarHBondContact O-CB 3.5Å; Q186-T189 PolarHBondContact O-N 3.14Å; Q186-T189 PolarHBondContact O-OG1 3.06Å
187W83.6Confident87.8Confident33 Ų3376.2 Ų76.213%0.12536%0.36CS..THydrogen-bonded Turntrans-56.2-29-179.1-69.7113.5000113.7V161 T189 L192 L204 S206 P207 K208 P209 I212V161-W187 HydrophobicContact CB-CH2 4.44Å; V161-W187 HydrophobicContact CB-CZ2 4.43Å; V161-W187 HydrophobicContact CG1-CD2 3.6Å; V161-W187 HydrophobicContact CG1-CE3 3.52Å; V161-W187 HydrophobicContact CG1-CG 4.33Å; V161-W187 HydrophobicContact CG1-CH2 3.86Å; V161-W187 HydrophobicContact CG1-CZ2 3.89Å; V161-W187 HydrophobicContact CG1-CZ3 3.67Å; W187-T189 VanDerWaalsContact C-N 3.34Å; W187-L192 HydrophobicContact CE3-CD2 4.02Å; W187-L192 WeakPolarHBondContact O-CD2 3.38Å; W187-L204 HydrophobicContact CH2-CD2 3.62Å; W187-L204 HydrophobicContact CZ2-CD2 4.01Å; W187-S206 VanDerWaalsContact CD1-OG 3.32Å; W187-S206 VanDerWaalsContact CZ2-O 3.32Å; W187-S206 WeakPolarHBondContact CZ2-O 3.43Å; W187-S206 PolarHBondContact NE1-O 2.84Å; W187-S206 PolarHBondContact NE1-OG 3.46Å; W187-P207 PolarHBondContact NE1-O 3.44Å; W187-K208 HydrophobicContact CH2-CB 3.58Å; W187-K208 HydrophobicContact CH2-CG 3.54Å; W187-K208 HydrophobicContact CZ2-CB 3.95Å; W187-K208 HydrophobicContact CZ2-CG 4.34Å; W187-K208 HydrophobicContact CZ3-CB 4.21Å; W187-K208 HydrophobicContact CZ3-CG 3.68Å; W187-P209 HydrophobicContact CB-CG 3.97Å; W187-P209 VanDerWaalsContact CD2-CD 3.42Å; W187-P209 HydrophobicContact CD2-CG 4.18Å; W187-P209 HydrophobicContact CE3-CG 4.47Å; W187-P209 HydrophobicContact CG-CG 3.99Å; W187-I212 HydrophobicContact CB-CD1 4.39Å; W187-I212 HydrophobicContact CD2-CD1 4.27Å; W187-I212 HydrophobicContact CE3-CD1 3.36Å; W187-I212 HydrophobicContact CZ3-CD1 3.95Å
188K83.6Confident87.6Confident209 Ų20974.5 Ų74.591%0.90936%0.358SS*.THydrogen-bonded Turntrans-86.63.1-178.4-61.8-179.4-179176.60114.1Q186Q186-K188 PolarHBondContact O-N 3.08Å
189T85.6Confident87.6Confident57 Ų5770.6 Ų70.635%0.3534%0.342SS..  trans-74.1131.2-174.7-570000112I185 Q186 W187 Q191 L192I185-T189 HydrophobicContact CD1-CG2 3.51Å; I185-T189 HydrophobicContact CG1-CG2 3.65Å; I185-T189 VanDerWaalsContact CG1-OG1 3.28Å; I185-T189 WeakPolarHBondContact CG1-OG1 3.44Å; Q186-T189 PolarHBondContact N-OG1 3.19Å; Q186-T189 WeakPolarHBondContact O-CB 3.5Å; Q186-T189 PolarHBondContact O-N 3.14Å; Q186-T189 PolarHBondContact O-OG1 3.06Å; W187-T189 VanDerWaalsContact C-N 3.34Å; T189-Q191 PolarHBondContact O-N 3.2Å; T189-L192 VanDerWaalsContact O-CB 3.26Å; T189-L192 WeakPolarHBondContact O-CB 3.47Å; T189-L192 PolarHBondContact O-N 3.16Å
190R82.6Confident87.5Confident257 Ų25771.7 Ų71.797%0.9734%0.34SS*.THydrogen-bonded Turntrans-56.9-26.8-175.3-67.6-176.1179.5177.5-0115.3
191Q83.4Confident87.4Confident126 Ų12671.5 Ų71.559%0.58934%0.338SS*.THydrogen-bonded Turntrans-98.16.9-177.7-69.5179.5-15.600113.7T189 Q193 S194 K195T189-Q191 PolarHBondContact O-N 3.2Å; Q191-Q193 VanDerWaalsContact C-N 3.29Å; Q191-Q193 PolarHBondContact O-N 3.34Å; Q191-S194 PolarHBondContact O-N 3.45Å; Q191-S194 VanDerWaalsContact O-N 3.08Å; Q191-S194 PolarHBondContact O-OG 3.07Å; Q191-K195 PolarHBondContact O-N 3.08Å
192L86Confident87.2Confident4 Ų465.5 Ų65.52%0.02131%0.309CS..Hα-helixtrans-52.3-44.6-172.6-179.862.9000113.1V161 I185 W187 T189 S194 K195 L196 I212 W216V161-L192 HydrophobicContact CG1-CD1 4.08Å; V161-L192 HydrophobicContact CG2-CD1 4.39Å; I185-L192 HydrophobicContact CD1-CB 4.48Å; I185-L192 HydrophobicContact CD1-CD1 4.25Å; I185-L192 HydrophobicContact CG1-CD1 4.49Å; I185-L192 HydrophobicContact CG2-CD1 3.7Å; W187-L192 HydrophobicContact CE3-CD2 4.02Å; W187-L192 WeakPolarHBondContact O-CD2 3.38Å; T189-L192 VanDerWaalsContact O-CB 3.26Å; T189-L192 WeakPolarHBondContact O-CB 3.47Å; T189-L192 PolarHBondContact O-N 3.16Å; L192-S194 PolarHBondContact O-N 2.97Å; L192-K195 PolarHBondContact O-N 3.34Å; L192-L196 HydrophobicContact CD1-CD1 3.97Å; L192-L196 HydrophobicContact CD1-CG 4.06Å; L192-L196 HydrophobicContact CD2-CD1 4.41Å; L192-L196 HydrophobicContact CG-CD1 3.76Å; L192-L196 HydrophobicContact CG-CG 4.32Å; L192-L196 WeakPolarHBondContact O-CG 3.39Å; L192-L196 PolarHBondContact O-N 2.97Å; L192-I212 HydrophobicContact CD2-CD1 3.71Å; L192-W216 HydrophobicContact CD2-CZ3 4.42Å
193Q85.8Confident87Confident110 Ų11064.5 Ų64.551%0.51430%0.302SS..Hα-helixtrans-57.9-48.7178.2-176.5179.713.100112.6Q191 K195 L196 H197 W216Q191-Q193 VanDerWaalsContact C-N 3.29Å; Q191-Q193 PolarHBondContact O-N 3.34Å; Q193-K195 VanDerWaalsContact C-N 3.26Å; Q193-K195 PolarHBondContact O-N 3.49Å; Q193-L196 PolarHBondContact O-N 2.86Å; Q193-H197 PolarHBondContact O-N 3.04Å; Q193-W216 HydrophobicContact CB-CD2 3.77Å; Q193-W216 HydrophobicContact CB-CE3 3.75Å; Q193-W216 HydrophobicContact CB-CG 4.35Å; Q193-W216 HydrophobicContact CB-CH2 4.17Å; Q193-W216 HydrophobicContact CB-CZ2 4.18Å; Q193-W216 HydrophobicContact CB-CZ3 3.96Å; Q193-W216 HydrophobicContact CG-CB 4.48Å; Q193-W216 HydrophobicContact CG-CD2 3.67Å; Q193-W216 HydrophobicContact CG-CE3 4.19Å; Q193-W216 HydrophobicContact CG-CG 3.8Å; Q193-W216 HydrophobicContact CG-CZ2 4.31Å
194S86.6Confident86.8Confident53 Ų5361.8 Ų61.837%0.37129%0.289SS..Hα-helixtrans-62-36.3179.666.30000112.1Q191 L192 H197 E198Q191-S194 PolarHBondContact O-N 3.45Å; Q191-S194 VanDerWaalsContact O-N 3.08Å; Q191-S194 PolarHBondContact O-OG 3.07Å; L192-S194 PolarHBondContact O-N 2.97Å; S194-H197 PolarHBondContact O-N 2.95Å; S194-E198 WeakPolarHBondContact O-CG 3.48Å; S194-E198 PolarHBondContact O-N 3.11Å
195K87.9Confident86.2Confident47 Ų4760.8 Ų60.820%0.20428%0.283CS..Hα-helixtrans-79-35.2-177.4-62.1-46.9-166.8179.30113.2L159 M183 I185 Q191 L192 Q193 H197 E198 A199L159-K195 HydrophobicContact CD1-CB 4.25Å; L159-K195 HydrophobicContact CD2-CB 4.08Å; M183-K195 HydrophobicContact CE-CB 3.78Å; M183-K195 HydrophobicContact CE-CD 3.63Å; M183-K195 HydrophobicContact CE-CG 3.53Å; I185-K195 HydrophobicContact CD1-CG 4.45Å; Q191-K195 PolarHBondContact O-N 3.08Å; L192-K195 PolarHBondContact O-N 3.34Å; Q193-K195 VanDerWaalsContact C-N 3.26Å; Q193-K195 PolarHBondContact O-N 3.49Å; K195-H197 PolarHBondContact O-N 3.43Å; K195-E198 IonicContact NZ-OE1 3.83Å; K195-E198 IonicContact NZ-OE2 2.98Å; K195-E198 PolarHBondContact NZ-OE2 2.7Å; K195-E198 PolarHBondContact O-N 3.07Å; K195-A199 PolarHBondContact O-N 2.93Å
196L86.1Confident85.6Confident5 Ų560.7 Ų60.73%0.02628%0.284CS..Hα-helixtrans-61.7-33.5170.6-75166.3000111.8L159 V161 L192 Q193 V202 W216 I217L159-L196 HydrophobicContact CD2-CD2 3.79Å; L159-L196 HydrophobicContact CD2-CG 4Å; V161-L196 HydrophobicContact CG2-CD2 4.27Å; L192-L196 HydrophobicContact CD1-CD1 3.97Å; L192-L196 HydrophobicContact CD1-CG 4.06Å; L192-L196 HydrophobicContact CD2-CD1 4.41Å; L192-L196 HydrophobicContact CG-CD1 3.76Å; L192-L196 HydrophobicContact CG-CG 4.32Å; L192-L196 WeakPolarHBondContact O-CG 3.39Å; L192-L196 PolarHBondContact O-N 2.97Å; Q193-L196 PolarHBondContact O-N 2.86Å; L196-V202 HydrophobicContact CD2-CG1 3.91Å; L196-V202 HydrophobicContact CD2-CG2 3.97Å; L196-W216 HydrophobicContact CB-CB 4.48Å; L196-W216 WeakPolarHBondContact CB-O 3.03Å; L196-W216 HydrophobicContact CD1-CB 4.06Å; L196-W216 HydrophobicContact CD1-CE3 4.04Å; L196-I217 HydrophobicContact CD2-CG1 4.2Å
197H85.4Confident84.9Confident109 Ų10960.6 Ų60.651%0.50529%0.288SS..Hα-helixtrans-73.7-28.7177.4-165.4-52.2000113.3Q193 S194 K195 Q218Q193-H197 PolarHBondContact O-N 3.04Å; S194-H197 PolarHBondContact O-N 2.95Å; K195-H197 PolarHBondContact O-N 3.43Å; H197-Q218 HydrophobicContact CB-CG 4.5Å; H197-Q218 PolarHBondContact CD2-NE2 3.27Å; H197-Q218 PolarHBondContact CE1-NE2 2.9Å; H197-Q218 PolarHBondContact NE2-NE2 3.3Å
198E87.4Confident84.6Confident93 Ų9362.4 Ų62.444%0.43530%0.297SS..Hα-helixtrans-84.5-11.5-179.9-73.3172.1-165.400113.6K157 S194 K195K157-E198 WeakPolarHBondContact CD-O 3.36Å; S194-E198 WeakPolarHBondContact O-CG 3.48Å; S194-E198 PolarHBondContact O-N 3.11Å; K195-E198 IonicContact NZ-OE1 3.83Å; K195-E198 IonicContact NZ-OE2 2.98Å; K195-E198 PolarHBondContact NZ-OE2 2.7Å; K195-E198 PolarHBondContact O-N 3.07Å
199A89.5Confident84.3Confident7 Ų754.6 Ų54.66%0.05827%0.268CS..  trans-85.5130.8-171.200000112.9L159 K195 V202 T221L159-A199 HydrophobicContact CB-CB 3.78Å; K195-A199 PolarHBondContact O-N 2.93Å; A199-V202 HydrophobicContact CB-CG2 3.79Å; A199-T221 WeakPolarHBondContact O-CG2 3.39Å; A199-T221 PolarHBondContact O-OG1 2.8Å; A199-T221 VanDerWaalsContact O-OG1 3.05Å
200D87.9Confident83.7Confident59 Ų5961 Ų6132%0.31629%0.294SS..SBendtrans-74.2-34.6168-67-82.7000111.3K156 K157 T222K156-D200 HydrophobicContact CB-CB 4.32Å; K156-D200 HydrophobicContact CD-CB 3.69Å; K156-D200 IonicContact NZ-OD1 3.52Å; K156-D200 PolarHBondContact NZ-OD1 2.72Å; K157-D200 PolarHBondContact N-OD2 2.92Å; K157-D200 PolarHBondContact O-N 3.17Å; D200-T222 PolarHBondContact O-N 2.94Å; D200-T222 VanDerWaalsContact O-N 3.13Å
201I89.9Confident83.2Confident2 Ų257.4 Ų57.41%0.0129%0.288CS..EExtended strand (participates in β ladder)trans-136.6133.5-178.3-51.8176.3000109L145 V151 L153 K157 I158 L159 V203 T222L145-I201 HydrophobicContact CD1-CD1 4.4Å; L145-I201 HydrophobicContact CD1-CG2 4.14Å; L145-I201 HydrophobicContact CD2-CD1 4.49Å; L145-I201 HydrophobicContact CD2-CG2 4.12Å; V151-I201 HydrophobicContact CG1-CD1 3.92Å; L153-I201 HydrophobicContact CD2-CD1 3.68Å; K157-I201 PolarHBondContact O-N 3.46Å; I158-I201 WeakPolarHBondContact CA-O 3.48Å; I158-I201 HydrophobicContact CD1-CD1 4.12Å; I158-I201 HydrophobicContact CG1-CB 4.19Å; I158-I201 HydrophobicContact CG1-CD1 4.25Å; I158-I201 HydrophobicContact CG2-CB 4.42Å; L159-I201 PolarHBondContact N-O 2.89Å; I201-V203 HydrophobicContact CG2-CG2 4.43Å; I201-T222 CarbonylContact C-O 3.39Å; I201-T222 VanDerWaalsContact CA-O 3.3Å; I201-T222 WeakPolarHBondContact CA-O 3.42Å
202V87.9Confident82.7Confident0 Ų052.2 Ų52.20%026%0.264CS..EExtended strand (participates in β ladder)trans-118.2123.1175.8177.50000109.4L159 V161 L196 A199 L204 T221 T222 V223 L224L159-V202 HydrophobicContact CB-CG2 4.47Å; L159-V202 CarbonylContact O-C 3.56Å; L159-V202 WeakPolarHBondContact O-CA 3.12Å; V161-V202 HydrophobicContact CG2-CG1 4.12Å; L196-V202 HydrophobicContact CD2-CG1 3.91Å; L196-V202 HydrophobicContact CD2-CG2 3.97Å; A199-V202 HydrophobicContact CB-CG2 3.79Å; V202-L204 HydrophobicContact CG1-CD2 3.64Å; V202-L204 HydrophobicContact CG1-CG 4.47Å; V202-T221 HydrophobicContact CB-CG2 4.42Å; V202-T221 HydrophobicContact CG2-CG2 3.75Å; V202-T222 PolarHBondContact N-O 3.33Å; V202-V223 HydrophobicContact CB-CG2 4.38Å; V202-V223 CarbonylContact O-C 3.42Å; V202-V223 WeakPolarHBondContact O-CA 3.08Å; V202-L224 PolarHBondContact O-N 3.38Å
203V88.6Confident82.1Confident0 Ų054.6 Ų54.60%028%0.28CS..EExtended strand (participates in β ladder)trans-109.1119.3175.5-177.90000108.8V141 I158 L159 V160 V161 L171 F175 I201 L224V141-V203 HydrophobicContact CG1-CG1 4.36Å; V141-V203 HydrophobicContact CG1-CG2 4.07Å; I158-V203 HydrophobicContact CG2-CG2 4.38Å; L159-V203 PolarHBondContact O-N 3.15Å; V160-V203 CarbonylContact C-O 3.57Å; V160-V203 WeakPolarHBondContact CA-O 3.25Å; V160-V203 HydrophobicContact CG2-CB 4.36Å; V161-V203 PolarHBondContact N-O 2.77Å; L171-V203 HydrophobicContact CD1-CG1 4.15Å; F175-V203 HydrophobicContact CE2-CG2 4Å; F175-V203 HydrophobicContact CZ-CG2 3.88Å; I201-V203 HydrophobicContact CG2-CG2 4.43Å; V203-L224 CarbonylContact C-O 3.59Å; V203-L224 WeakPolarHBondContact CA-O 3.49Å
204L86.2Confident81.2Confident21 Ų2154.8 Ų54.811%0.1128%0.284CS..EExtended strand (participates in β ladder)trans-93.7116.3180-52.3-177.8000109.5V161 W187 V202 V223 L224 N225 C226 S227V161-L204 HydrophobicContact CB-CD2 4.12Å; V161-L204 HydrophobicContact CG2-CD2 4.45Å; W187-L204 HydrophobicContact CH2-CD2 3.62Å; W187-L204 HydrophobicContact CZ2-CD2 4.01Å; V202-L204 HydrophobicContact CG1-CD2 3.64Å; V202-L204 HydrophobicContact CG1-CG 4.47Å; L204-V223 HydrophobicContact CD1-CG1 4.11Å; L204-V223 HydrophobicContact CG-CG1 4.24Å; L204-L224 PolarHBondContact N-O 2.78Å; L204-N225 PolarHBondContact O-OD1 3.18Å; L204-C226 WeakPolarHBondContact O-CA 3.25Å; L204-C226 WeakPolarHBondContact O-CB 3.49Å; L204-C226 PolarHBondContact O-N 2.79Å; L204-S227 PolarHBondContact O-N 3.25Å
205G78.5Confident80.5Confident5 Ų557.9 Ų57.95%0.05230%0.301CS..SBendtrans-95.8-17.3-179.700000114.8V161 G162V161-G205 PolarHBondContact O-N 3.39Å; G162-G205 CarbonylContact O-C 3.45Å
206S76.9Confident80.2Confident16 Ų1658.7 Ų58.711%0.11230%0.303CS..SBendtrans-139.1162.4171.9480000110.6G162 W187 K208G162-S206 VanDerWaalsContact CA-OG 3.25Å; G162-S206 WeakPolarHBondContact CA-OG 3.25Å; G162-S206 VanDerWaalsContact O-CB 3.25Å; G162-S206 WeakPolarHBondContact O-CB 3.15Å; G162-S206 PolarHBondContact O-N 3.2Å; G162-S206 PolarHBondContact O-OG 3.35Å; W187-S206 VanDerWaalsContact CD1-OG 3.32Å; W187-S206 VanDerWaalsContact CZ2-O 3.32Å; W187-S206 WeakPolarHBondContact CZ2-O 3.43Å; W187-S206 PolarHBondContact NE1-O 2.84Å; W187-S206 PolarHBondContact NE1-OG 3.46Å; S206-K208 PolarHBondContact O-N 3.08Å
207P73.9Confident79.9Confident59 Ų5960.1 Ų60.138%0.38331%0.31SS..PPolyproline II helixtrans-57.3135.1-176.7-26.336000111.9W187 P209 D229W187-P207 PolarHBondContact NE1-O 3.44Å; P207-P209 WeakPolarHBondContact O-CD 3.29Å; P207-D229 HydrophobicContact CG-CB 4.22Å
208K77.9Confident79.6Confident72 Ų7258.1 Ų58.131%0.31330%0.301SS..PPolyproline II helixtrans-67.3123178.7-174.9-165.771.567.40109.7W187 S206 E210 I212 L214W187-K208 HydrophobicContact CH2-CB 3.58Å; W187-K208 HydrophobicContact CH2-CG 3.54Å; W187-K208 HydrophobicContact CZ2-CB 3.95Å; W187-K208 HydrophobicContact CZ2-CG 4.34Å; W187-K208 HydrophobicContact CZ3-CB 4.21Å; W187-K208 HydrophobicContact CZ3-CG 3.68Å; S206-K208 PolarHBondContact O-N 3.08Å; K208-E210 PolarHBondContact O-N 3.28Å; K208-I212 HydrophobicContact CG-CB 4.32Å; K208-I212 PolarHBondContact NZ-O 3.28Å; K208-L214 HydrophobicContact CD-CD2 4.2Å
209P77.2Confident78.9Confident45 Ų4558.6 Ų58.629%0.29231%0.312SS..PPolyproline II helixtrans-53139.5169.4-24.532.2000112W187 P207 E211 I212W187-P209 HydrophobicContact CB-CG 3.97Å; W187-P209 VanDerWaalsContact CD2-CD 3.42Å; W187-P209 HydrophobicContact CD2-CG 4.18Å; W187-P209 HydrophobicContact CE3-CG 4.47Å; W187-P209 HydrophobicContact CG-CG 3.99Å; P207-P209 WeakPolarHBondContact O-CD 3.29Å; P209-E211 PolarHBondContact O-N 2.85Å; P209-I212 HydrophobicContact CB-CD1 4.2Å; P209-I212 HydrophobicContact CB-CG1 4.3Å; P209-I212 HydrophobicContact CG-CD1 3.94Å; P209-I212 PolarHBondContact O-N 2.89Å
210E72.2Confident78.1Confident191 Ų19161.5 Ų61.589%0.89334%0.343SS*.THydrogen-bonded Turntrans-57.6-33.4178.7-68-171163.800112.1K208 I212K208-E210 PolarHBondContact O-N 3.28Å; E210-I212 PolarHBondContact O-N 2.95Å; E210-I212 VanDerWaalsContact O-N 3.16Å
211E71.1Confident77.7Confident182 Ų18259.8 Ų59.885%0.8533%0.334SS*.THydrogen-bonded Turntrans-63.7-16.8-178.9-60.6171.9-18000114.4P209 P213P209-E211 PolarHBondContact O-N 2.85Å; E211-P213 WeakPolarHBondContact O-CD 3.2Å
212I73.7Confident77.4Confident17 Ų1760.5 Ų60.59%0.08734%0.339CS..SBendtrans-94.5110.9-176.6-63.3177.5000109.5W187 L192 K208 P209 E210 W216W187-I212 HydrophobicContact CB-CD1 4.39Å; W187-I212 HydrophobicContact CD2-CD1 4.27Å; W187-I212 HydrophobicContact CE3-CD1 3.36Å; W187-I212 HydrophobicContact CZ3-CD1 3.95Å; L192-I212 HydrophobicContact CD2-CD1 3.71Å; K208-I212 HydrophobicContact CG-CB 4.32Å; K208-I212 PolarHBondContact NZ-O 3.28Å; P209-I212 HydrophobicContact CB-CD1 4.2Å; P209-I212 HydrophobicContact CB-CG1 4.3Å; P209-I212 HydrophobicContact CG-CD1 3.94Å; P209-I212 PolarHBondContact O-N 2.89Å; E210-I212 PolarHBondContact O-N 2.95Å; E210-I212 VanDerWaalsContact O-N 3.16Å; I212-W216 HydrophobicContact CG2-CE3 3.79Å; I212-W216 HydrophobicContact CG2-CZ3 4.04Å
213P73.8Confident77Confident53 Ų5361.4 Ų61.434%0.34434%0.344SS..  trans-75.2140.5-174.830.5-34.7000111.6E211 T215 W216E211-P213 WeakPolarHBondContact O-CD 3.2Å; P213-T215 PolarHBondContact O-N 3.36Å; P213-T215 VanDerWaalsContact O-N 3.13Å; P213-W216 HydrophobicContact CG-CD2 4.12Å; P213-W216 HydrophobicContact CG-CG 4.12Å; P213-W216 HydrophobicContact CG-CZ2 4.24Å; P213-W216 PolarHBondContact O-N 2.95Å
214L65.7Low76.7Confident114 Ų11461.4 Ų61.460%0.59734%0.344SS*.G310 helixtrans-64.1-17.3179.5-69170.9000113.4K208 W216 I217K208-L214 HydrophobicContact CD-CD2 4.2Å; L214-W216 PolarHBondContact O-N 2.9Å; L214-W216 VanDerWaalsContact O-N 3.15Å; L214-I217 PolarHBondContact O-N 2.94Å
215T73.5Confident76.3Confident119 Ų11962.1 Ų62.173%0.7335%0.348SS*.G310 helixtrans-65.3-11.5175.753.80000113.7P213 I217P213-T215 PolarHBondContact O-N 3.36Å; P213-T215 VanDerWaalsContact O-N 3.13Å; T215-I217 VanDerWaalsContact C-N 3.28Å
216W80.2Confident76.2Confident64 Ų6462.9 Ų62.924%0.24235%0.352CS..G310 helixtrans-75.6-16175.2-69.86.7000113.4L192 Q193 L196 I212 P213 L214L192-W216 HydrophobicContact CD2-CZ3 4.42Å; Q193-W216 HydrophobicContact CB-CD2 3.77Å; Q193-W216 HydrophobicContact CB-CE3 3.75Å; Q193-W216 HydrophobicContact CB-CG 4.35Å; Q193-W216 HydrophobicContact CB-CH2 4.17Å; Q193-W216 HydrophobicContact CB-CZ2 4.18Å; Q193-W216 HydrophobicContact CB-CZ3 3.96Å; Q193-W216 HydrophobicContact CG-CB 4.48Å; Q193-W216 HydrophobicContact CG-CD2 3.67Å; Q193-W216 HydrophobicContact CG-CE3 4.19Å; Q193-W216 HydrophobicContact CG-CG 3.8Å; Q193-W216 HydrophobicContact CG-CZ2 4.31Å; L196-W216 HydrophobicContact CB-CB 4.48Å; L196-W216 WeakPolarHBondContact CB-O 3.03Å; L196-W216 HydrophobicContact CD1-CB 4.06Å; L196-W216 HydrophobicContact CD1-CE3 4.04Å; I212-W216 HydrophobicContact CG2-CE3 3.79Å; I212-W216 HydrophobicContact CG2-CZ3 4.04Å; P213-W216 HydrophobicContact CG-CD2 4.12Å; P213-W216 HydrophobicContact CG-CG 4.12Å; P213-W216 HydrophobicContact CG-CZ2 4.24Å; P213-W216 PolarHBondContact O-N 2.95Å; L214-W216 PolarHBondContact O-N 2.9Å; L214-W216 VanDerWaalsContact O-N 3.15Å
217I80.6Confident75.7Confident35 Ų3562.4 Ų62.418%0.17935%0.349CS..SBendtrans-94.8128.5177.1-58.3177.6000108.7L196 L214 T215 T221 V223L196-I217 HydrophobicContact CD2-CG1 4.2Å; L214-I217 PolarHBondContact O-N 2.94Å; T215-I217 VanDerWaalsContact C-N 3.28Å; I217-T221 HydrophobicContact CG2-CG2 3.86Å; I217-V223 HydrophobicContact CD1-CG2 3.97Å; I217-V223 HydrophobicContact CG2-CG2 3.81Å
218Q78Confident75Confident67 Ų6763.3 Ų63.331%0.31335%0.348SS..PPolyproline II helixtrans-68143.5-178-74.3-61.8-65.500112.3H197 G220 T221H197-Q218 HydrophobicContact CB-CG 4.5Å; H197-Q218 PolarHBondContact CD2-NE2 3.27Å; H197-Q218 PolarHBondContact CE1-NE2 2.9Å; H197-Q218 PolarHBondContact NE2-NE2 3.3Å; Q218-G220 PolarHBondContact O-N 3.23Å; Q218-T221 WeakPolarHBondContact O-CB 3.29Å; Q218-T221 PolarHBondContact O-N 2.92Å; Q218-T221 VanDerWaalsContact O-N 3.11Å; Q218-T221 PolarHBondContact O-OG1 3.2Å
219P72.8Confident73.2Confident102 Ų10264.1 Ų64.166%0.66236%0.356SS*.THydrogen-bonded Turntrans-58.1121.2170.1-22.433.3000111F244P219-F244 HydrophobicContact CB-CE1 4.47Å
220G72.8Confident71.2Confident69 Ų6966.5 Ų66.571%0.71136%0.362SS*.THydrogen-bonded Turntrans102.2-9-177.700000115Q218Q218-G220 PolarHBondContact O-N 3.23Å
221T80.1Confident69Low22 Ų2265.3 Ų65.314%0.13536%0.361CS..  trans-66.9132.2169-62.60000110.1A199 V202 I217 Q218 V223A199-T221 WeakPolarHBondContact O-CG2 3.39Å; A199-T221 PolarHBondContact O-OG1 2.8Å; A199-T221 VanDerWaalsContact O-OG1 3.05Å; V202-T221 HydrophobicContact CB-CG2 4.42Å; V202-T221 HydrophobicContact CG2-CG2 3.75Å; I217-T221 HydrophobicContact CG2-CG2 3.86Å; Q218-T221 WeakPolarHBondContact O-CB 3.29Å; Q218-T221 PolarHBondContact O-N 2.92Å; Q218-T221 VanDerWaalsContact O-N 3.11Å; Q218-T221 PolarHBondContact O-OG1 3.2Å; T221-V223 HydrophobicContact CG2-CG2 4.43Å
222T83.2Confident67.1Low17 Ų1760.3 Ų60.310%0.10435%0.346CS..EExtended strand (participates in β ladder)trans-80.8121174.3-59.10000109.2L145 D200 I201 V202L145-T222 HydrophobicContact CD2-CG2 3.67Å; D200-T222 PolarHBondContact O-N 2.94Å; D200-T222 VanDerWaalsContact O-N 3.13Å; I201-T222 CarbonylContact C-O 3.39Å; I201-T222 VanDerWaalsContact CA-O 3.3Å; I201-T222 WeakPolarHBondContact CA-O 3.42Å; V202-T222 PolarHBondContact N-O 3.33Å
223V80.3Confident64.8Low20 Ų2063.6 Ų63.612%0.12138%0.384CS..EExtended strand (participates in β ladder)trans-110.1133.1178.3-174.30000109.3V202 L204 I217 T221 L247V202-V223 HydrophobicContact CB-CG2 4.38Å; V202-V223 CarbonylContact O-C 3.42Å; V202-V223 WeakPolarHBondContact O-CA 3.08Å; L204-V223 HydrophobicContact CD1-CG1 4.11Å; L204-V223 HydrophobicContact CG-CG1 4.24Å; I217-V223 HydrophobicContact CD1-CG2 3.97Å; I217-V223 HydrophobicContact CG2-CG2 3.81Å; T221-V223 HydrophobicContact CG2-CG2 4.43Å; V223-L247 HydrophobicContact CB-CD2 3.94Å; V223-L247 HydrophobicContact CG1-CD2 4.39Å
224L82.1Confident62.4Low0 Ų069.3 Ų69.30%040%0.403CS..EExtended strand (participates in β ladder)trans-130.9123179.5-166.2157.5000109.4V141 L144 L145 V202 V203 L204 C226 I248 V253V141-L224 HydrophobicContact CB-CD1 4.49Å; V141-L224 HydrophobicContact CB-CD2 4.44Å; V141-L224 HydrophobicContact CG1-CD1 4.1Å; V141-L224 HydrophobicContact CG1-CD2 4.29Å; V141-L224 HydrophobicContact CG2-CD2 3.75Å; L144-L224 HydrophobicContact CB-CD1 4.41Å; L145-L224 HydrophobicContact CD2-CD1 4.24Å; L145-L224 HydrophobicContact CG-CD1 4.1Å; V202-L224 PolarHBondContact O-N 3.38Å; V203-L224 CarbonylContact C-O 3.59Å; V203-L224 WeakPolarHBondContact CA-O 3.49Å; L204-L224 PolarHBondContact N-O 2.78Å; L224-C226 WeakPolarHBondContact CD2-SG 3.39Å; L224-I248 HydrophobicContact CD1-CB 4.49Å; L224-I248 HydrophobicContact CD1-CD1 3.58Å; L224-I248 HydrophobicContact CG-CB 4.37Å; L224-I248 HydrophobicContact CG-CD1 4.29Å; L224-I248 HydrophobicContact CG-CG2 4.48Å; L224-V253 HydrophobicContact CD1-CG2 4.48Å; L224-V253 HydrophobicContact CD2-CG1 4.45Å; L224-V253 HydrophobicContact CD2-CG2 3.53Å; L224-V253 HydrophobicContact CG-CG2 4.03Å
225N78.2Confident60.8Low36 Ų3671.4 Ų71.419%0.19342%0.42CS..EExtended strand (participates in β ladder)trans-94.4124.4177.3-166.411.3000111L204 S227 E250L204-N225 PolarHBondContact O-OD1 3.18Å; N225-S227 PolarHBondContact ND2-OG 3.11Å; N225-S227 WeakPolarHBondContact OD1-CB 3.46Å; N225-S227 PolarHBondContact OD1-N 3.4Å; N225-S227 PolarHBondContact OD1-OG 3.19Å; N225-E250 HydrophobicContact CB-CB 4.39Å; N225-E250 HydrophobicContact CB-CG 4.47Å; N225-E250 PolarHBondContact ND2-OE2 3.45Å
226C76.1Confident58.5Low20 Ų2068.2 Ų68.214%0.13541%0.411CS..  trans-114.8-2.6174.3-52.70000112.7V137 V141 L204 L224V137-C226 HydrophobicContact CG1-CB 4.08Å; V141-C226 WeakPolarHBondContact CG2-SG 3.47Å; L204-C226 WeakPolarHBondContact O-CA 3.25Å; L204-C226 WeakPolarHBondContact O-CB 3.49Å; L204-C226 PolarHBondContact O-N 2.79Å; L224-C226 WeakPolarHBondContact CD2-SG 3.39Å
227S66.4Low56.1Low7 Ų771.6 Ų71.65%0.04944%0.443CS..  trans-75.7142.1178.365.60000110.6L204 N225L204-S227 PolarHBondContact O-N 3.25Å; N225-S227 PolarHBondContact ND2-OG 3.11Å; N225-S227 WeakPolarHBondContact OD1-CB 3.46Å; N225-S227 PolarHBondContact OD1-N 3.4Å; N225-S227 PolarHBondContact OD1-OG 3.19Å
228H58.3Low53.7Low78 Ų7873.4 Ų73.436%0.36147%0.471SS..  trans-105.4118.5174-127.2-64.1000108.1F230 I254H228-F230 AromaticContact CE1-CE2 3.3Å; H228-F230 WeakPolarHBondContact CE1-CE2 3.34Å; H228-F230 AromaticContact ND1-CD2 3.46Å; H228-F230 WeakPolarHBondContact ND1-CD2 3.48Å; H228-F230 AromaticContact ND1-CE2 3.14Å; H228-F230 WeakPolarHBondContact ND1-CE2 3.45Å; H228-I254 VanDerWaalsContact NE2-CD1 3.32Å; H228-I254 WeakPolarHBondContact NE2-CD1 3.22Å
229D40.5Very low51.2Low89 Ų8975.2 Ų75.248%0.47649%0.491SS..  trans-103.593.4177.7-164.98.5000111P207P207-D229 HydrophobicContact CG-CB 4.22Å
230F35.8Very low49Very low95 Ų9575.2 Ų75.242%0.41749%0.491SS..  trans-89.42-176.2-105.8-76000115.4D42 L44 M45 H228D42-F230 HydrophobicContact CB-CD1 4.11Å; D42-F230 HydrophobicContact CB-CE1 3.7Å; D42-F230 HydrophobicContact CB-CE2 4.19Å; D42-F230 HydrophobicContact CB-CZ 3.81Å; D42-F230 VanDerWaalsContact OD1-CE1 3.24Å; D42-F230 WeakPolarHBondContact OD1-CE1 3.33Å; D42-F230 WeakPolarHBondContact OD1-CZ 3.41Å; D42-F230 WeakPolarHBondContact OD2-CE2 3.36Å; D42-F230 WeakPolarHBondContact OD2-CZ 3.36Å; L44-F230 HydrophobicContact CB-CZ 4.42Å; M45-F230 HydrophobicContact CG-CE2 4.49Å; H228-F230 AromaticContact CE1-CE2 3.3Å; H228-F230 WeakPolarHBondContact CE1-CE2 3.34Å; H228-F230 AromaticContact ND1-CD2 3.46Å; H228-F230 WeakPolarHBondContact ND1-CD2 3.48Å; H228-F230 AromaticContact ND1-CE2 3.14Å; H228-F230 WeakPolarHBondContact ND1-CE2 3.45Å
231L27Very low47Very low166 Ų16683.8 Ų83.887%0.86950%0.501SS*.  trans-109.23.9-169.3-77.8170.3000116.4
232S30Very low44.8Very low76 Ų7687.1 Ų87.153%0.53152%0.518SS..  trans-87.1-15.4-174.875.80000116K234S232-K234 WeakPolarHBondContact O-CB 3.4Å; S232-K234 PolarHBondContact O-N 2.79Å
233G26.2Very low42.3Very low86 Ų8695.3 Ų95.389%0.88755%0.554SS**  trans4721.316500000116.6
234K23.7Very low40.2Very low174 Ų17499.8 Ų99.876%0.75757%0.572SS**  trans-130.2117.2-177.7-80.1-177.2179.4175.30106.8S232 G236S232-K234 WeakPolarHBondContact O-CB 3.4Å; S232-K234 PolarHBondContact O-N 2.79Å; K234-G236 PolarHBondContact O-N 3.27Å
235V31.3Very low38Very low157 Ų157104.1 Ų104.195%0.95262%0.617SS**  trans-62.483.3143.7178.60000105.8
236G25.5Very low36.4Very low53 Ų53103.8 Ų103.855%0.54662%0.622SS.*  trans-87.3103.9172.100000107.9K234 G238K234-G236 PolarHBondContact O-N 3.27Å; G236-G238 PolarHBondContact O-N 2.69Å
237C29.3Very low35.1Very low135 Ų135106.2 Ų106.291%0.91263%0.633SS**SBendtrans-43115.2153-90.40000109.3
238G31.1Very low34.6Very low73 Ų73106.3 Ų106.375%0.75363%0.633SS**  trans9275.1163.300000116.6G236G236-G238 PolarHBondContact O-N 2.69Å
239S25.7Very low34.7Very low105 Ų105108 Ų10873%0.73464%0.641SS**SBend-83131.9129.850.40000107.1R241S239-R241 PolarHBondContact O-N 2.71Å; S239-R241 VanDerWaalsContact O-N 3.14Å
240P25.6Very low35.8Very low102 Ų102106.6 Ų106.666%0.66263%0.632SS**  trans-62.2124.1-17524.8-31.5000109.1I242P240-I242 VanDerWaalsContact C-N 3.26Å; P240-I242 HydrophobicContact CB-CD1 4.2Å; P240-I242 HydrophobicContact CB-CG1 3.92Å; P240-I242 HydrophobicContact CG-CD1 3.89Å; P240-I242 HydrophobicContact CG-CG1 4.11Å; P240-I242 PolarHBondContact O-N 2.81Å
241R31.4Very low37.3Very low248 Ų248107 Ų10794%0.93664%0.638SS**  trans-59.690.7164.2-77.9-178.3174.2177.1-1.1108S239S239-R241 PolarHBondContact O-N 2.71Å; S239-R241 VanDerWaalsContact O-N 3.14Å
242I32.4Very low39.6Very low93 Ų93100.7 Ų100.748%0.47761%0.605SS.*  trans-98.8106.7175.6-59.7176.1000108P240 F244P240-I242 VanDerWaalsContact C-N 3.26Å; P240-I242 HydrophobicContact CB-CD1 4.2Å; P240-I242 HydrophobicContact CB-CG1 3.92Å; P240-I242 HydrophobicContact CG-CD1 3.89Å; P240-I242 HydrophobicContact CG-CG1 4.11Å; P240-I242 PolarHBondContact O-N 2.81Å; I242-F244 HydrophobicContact CG2-CD2 3.71Å; I242-F244 HydrophobicContact CG2-CE2 3.99Å; I242-F244 PolarHBondContact O-N 2.84Å
243H30.7Very low42Very low188 Ų18897.2 Ų97.287%0.8758%0.581SS**  trans-69.488168.1-85.3-63.1000110.2
244F36.3Very low44.7Very low115 Ų11594.2 Ų94.250%0.50454%0.544SS..  trans-87125.7149.3-90.6-88.8000107.7P219 I242 G246 L247P219-F244 HydrophobicContact CB-CE1 4.47Å; I242-F244 HydrophobicContact CG2-CD2 3.71Å; I242-F244 HydrophobicContact CG2-CE2 3.99Å; I242-F244 PolarHBondContact O-N 2.84Å; F244-G246 VanDerWaalsContact C-N 3.28Å; F244-G246 PolarHBondContact O-N 2.96Å; F244-L247 HydrophobicContact CB-CD1 3.95Å; F244-L247 PolarHBondContact O-N 3.36Å
245G35.5Very low47.6Very low90 Ų9088.4 Ų88.493%0.92852%0.521SS*.THydrogen-bonded Turntrans-64.385.7177.300000111
246G45.6Very low50.2Low29 Ų2981.1 Ų81.130%0.29948%0.477SS..THydrogen-bonded Turntrans151.8-11.8179.400000116.6F244 I248F244-G246 VanDerWaalsContact C-N 3.28Å; F244-G246 PolarHBondContact O-N 2.96Å; G246-I248 PolarHBondContact O-N 3.34Å
247L48.1Very low53.3Low71 Ų7178.9 Ų78.937%0.37245%0.453SS..PPolyproline II helixtrans-68.2121.9180-88.6156.7000111.8R5 V223 F244R5-L247 PolarHBondContact NH2-O 2.84Å; V223-L247 HydrophobicContact CB-CD2 3.94Å; V223-L247 HydrophobicContact CG1-CD2 4.39Å; F244-L247 HydrophobicContact CB-CD1 3.95Å; F244-L247 PolarHBondContact O-N 3.36Å
248I57.5Low56.1Low10 Ų1072.5 Ų72.55%0.05141%0.41CS..BIsolated β-bridgetrans-85.9129.1165.3-65.7160.7000106.8L144 L145 V149 L224 G246 D252 V253L144-I248 HydrophobicContact CB-CD1 3.88Å; L144-I248 HydrophobicContact CD1-CG2 4.11Å; L145-I248 HydrophobicContact CD2-CD1 4.29Å; V149-I248 HydrophobicContact CG2-CD1 3.58Å; V149-I248 HydrophobicContact CG2-CG1 3.87Å; L224-I248 HydrophobicContact CD1-CB 4.49Å; L224-I248 HydrophobicContact CD1-CD1 3.58Å; L224-I248 HydrophobicContact CG-CB 4.37Å; L224-I248 HydrophobicContact CG-CD1 4.29Å; L224-I248 HydrophobicContact CG-CG2 4.48Å; G246-I248 PolarHBondContact O-N 3.34Å; I248-D252 HydrophobicContact CG2-CB 3.99Å; I248-V253 HydrophobicContact CG2-CG2 4.16Å
249E60.1Low59Low114 Ų11469 Ų6953%0.53337%0.374SS..PPolyproline II helixtrans-73.6145.5-179.7-70.4175.7-177.600110.1R5 D251 D252R5-E249 IonicContact NH1-OE1 3.99Å; E249-D251 PolarHBondContact O-N 3.04Å; E249-D252 WeakPolarHBondContact O-CB 3.49Å; E249-D252 PolarHBondContact O-N 2.83Å
250E62.6Low62.2Low59 Ų5964 Ų6428%0.27634%0.339SS..Hα-helixtrans-54.4-39.7178.7-171179141.900111.7N225 D252 V253 I254N225-E250 HydrophobicContact CB-CB 4.39Å; N225-E250 HydrophobicContact CB-CG 4.47Å; N225-E250 PolarHBondContact ND2-OE2 3.45Å; E250-D252 PolarHBondContact O-N 3.32Å; E250-V253 PolarHBondContact O-N 3.27Å; E250-V253 VanDerWaalsContact O-N 3.07Å; E250-I254 HydrophobicContact CG-CD1 3.92Å; E250-I254 WeakPolarHBondContact O-CG1 3.25Å; E250-I254 PolarHBondContact O-N 3.32Å; E250-I254 VanDerWaalsContact O-N 3.07Å
251D68.1Low65.4Low103 Ų10360.6 Ų60.655%0.55131%0.313SS*.Hα-helixtrans-57.1-33.9175.3-65.5-17.3000113.1E249 L255E249-D251 PolarHBondContact O-N 3.04Å; D251-L255 WeakPolarHBondContact O-CB 3.48Å; D251-L255 WeakPolarHBondContact O-CD1 3.28Å; D251-L255 WeakPolarHBondContact O-CG 3.4Å; D251-L255 PolarHBondContact O-N 3.34Å
252D75.3Confident68.3Low34 Ų3448.9 Ų48.918%0.18227%0.269CS..Hα-helixtrans-69.9-35.2178.9-73.2-38.8000111.2R5 I248 E249 E250 L256R5-D252 IonicContact NH1-OD2 3.91Å; I248-D252 HydrophobicContact CG2-CB 3.99Å; E249-D252 WeakPolarHBondContact O-CB 3.49Å; E249-D252 PolarHBondContact O-N 2.83Å; E250-D252 PolarHBondContact O-N 3.32Å; D252-L256 VanDerWaalsContact O-CB 3.31Å; D252-L256 WeakPolarHBondContact O-CB 3.38Å; D252-L256 PolarHBondContact O-N 3.47Å
253V80.9Confident71.2Confident3 Ų346.5 Ų46.52%0.01826%0.256CS..Hα-helixtrans-72.5-46.1178.3-177.40000110.2A140 V141 L144 L224 I248 E250 L256 A257A140-V253 HydrophobicContact CB-CG1 4.29Å; V141-V253 HydrophobicContact CG2-CG1 4.49Å; L144-V253 HydrophobicContact CD1-CB 4.25Å; L144-V253 HydrophobicContact CD1-CG2 3.7Å; L224-V253 HydrophobicContact CD1-CG2 4.48Å; L224-V253 HydrophobicContact CD2-CG1 4.45Å; L224-V253 HydrophobicContact CD2-CG2 3.53Å; L224-V253 HydrophobicContact CG-CG2 4.03Å; I248-V253 HydrophobicContact CG2-CG2 4.16Å; E250-V253 PolarHBondContact O-N 3.27Å; E250-V253 VanDerWaalsContact O-N 3.07Å; V253-L256 PolarHBondContact O-N 3.33Å; V253-A257 WeakPolarHBondContact O-CB 3.28Å; V253-A257 PolarHBondContact O-N 3.09Å
254I81.5Confident74.3Confident23 Ų2338.2 Ų38.212%0.11822%0.218CC..Hα-helixtrans-61.2-49.9-180-67.4164.2000110.8M45 I48 H228 E250 L256 A257 A258M45-I254 HydrophobicContact CE-CG2 4Å; M45-I254 HydrophobicContact SD-CG2 3.34Å; M45-I254 WeakPolarHBondContact SD-CG2 3.43Å; I48-I254 HydrophobicContact CD1-CG2 4.38Å; H228-I254 VanDerWaalsContact NE2-CD1 3.32Å; H228-I254 WeakPolarHBondContact NE2-CD1 3.22Å; E250-I254 HydrophobicContact CG-CD1 3.92Å; E250-I254 WeakPolarHBondContact O-CG1 3.25Å; E250-I254 PolarHBondContact O-N 3.32Å; E250-I254 VanDerWaalsContact O-N 3.07Å; I254-L256 PolarHBondContact O-N 2.73Å; I254-A257 PolarHBondContact O-N 3.32Å; I254-A258 PolarHBondContact O-N 2.84Å
255L84.1Confident77Confident51 Ų5132.7 Ų32.727%0.26719%0.194SC..Hα-helixtrans-64.7-38.2-179.5-71.4171.3000112.5I48 D251 A259I48-L255 HydrophobicContact CD1-CD2 4.19Å; I48-L255 HydrophobicContact CG1-CD2 4.26Å; I48-L255 HydrophobicContact CG2-CD2 3.88Å; D251-L255 WeakPolarHBondContact O-CB 3.48Å; D251-L255 WeakPolarHBondContact O-CD1 3.28Å; D251-L255 WeakPolarHBondContact O-CG 3.4Å; D251-L255 PolarHBondContact O-N 3.34Å; L255-A259 PolarHBondContact O-N 2.98Å
256L87.8Confident79.7Confident4 Ų428.8 Ų28.82%0.02115%0.152CC..Hα-helixtrans-72.4-38.5176.2-17660.8000111.8P8 R9 V12 A140 E143 L144 D252 V253 I254 A259 L260P8-L256 HydrophobicContact CB-CD1 4.22Å; R9-L256 HydrophobicContact CB-CD1 4.45Å; V12-L256 HydrophobicContact CG2-CD1 4.33Å; A140-L256 HydrophobicContact CB-CB 4.09Å; A140-L256 HydrophobicContact CB-CD2 4Å; A140-L256 HydrophobicContact CB-CG 3.97Å; E143-L256 HydrophobicContact CB-CD2 4.09Å; L144-L256 HydrophobicContact CD1-CD2 4.06Å; L144-L256 HydrophobicContact CD2-CD2 4.07Å; L144-L256 HydrophobicContact CG-CD2 3.69Å; D252-L256 VanDerWaalsContact O-CB 3.31Å; D252-L256 WeakPolarHBondContact O-CB 3.38Å; D252-L256 PolarHBondContact O-N 3.47Å; V253-L256 PolarHBondContact O-N 3.33Å; I254-L256 PolarHBondContact O-N 2.73Å; L256-A259 PolarHBondContact O-N 2.62Å; L256-L260 HydrophobicContact CD1-CD1 4.47Å; L256-L260 HydrophobicContact CD1-CG 4.37Å; L256-L260 HydrophobicContact CG-CD1 4.01Å; L256-L260 HydrophobicContact CG-CG 4.37Å; L256-L260 WeakPolarHBondContact O-CB 3.25Å; L256-L260 WeakPolarHBondContact O-CG 3.37Å; L256-L260 PolarHBondContact O-N 3.35Å
257A89.3Confident81.9Confident6 Ų628.6 Ų28.65%0.0515%0.146CC..Hα-helixtrans-61.5-43.7175.200000111.1P136 V137 A140 V253 I254 A259 L260 R261P136-A257 HydrophobicContact CB-CB 4.26Å; P136-A257 WeakPolarHBondContact CB-O 3.37Å; V137-A257 HydrophobicContact CG2-CB 4.03Å; A140-A257 HydrophobicContact CB-CB 4.2Å; V253-A257 WeakPolarHBondContact O-CB 3.28Å; V253-A257 PolarHBondContact O-N 3.09Å; I254-A257 PolarHBondContact O-N 3.32Å; A257-A259 VanDerWaalsContact C-N 3.34Å; A257-A259 PolarHBondContact O-N 3.47Å; A257-L260 PolarHBondContact O-N 3.47Å; A257-R261 PolarHBondContact O-N 3.32Å
258A88.5Confident84Confident1 Ų125.4 Ų25.41%0.00813%0.129CC..Hα-helixtrans-60.8-40.9174.100000112.3I48 L52 I254 R261 I262I48-A258 HydrophobicContact CG2-CB 3.85Å; L52-A258 HydrophobicContact CD1-CB 3.57Å; I254-A258 PolarHBondContact O-N 2.84Å; A258-R261 WeakPolarHBondContact O-CB 3.49Å; A258-R261 PolarHBondContact O-N 2.91Å; A258-I262 PolarHBondContact O-N 3.46Å
259A91.1Very high85.6Confident0 Ų024.9 Ų24.90%013%0.127CC..Hα-helixtrans-65.4-39.7174.300000112.9R9 V12 I13 L255 L256 A257 R261 I262 Q263R9-A259 HydrophobicContact CG-CB 3.9Å; V12-A259 HydrophobicContact CB-CB 4.37Å; V12-A259 HydrophobicContact CG1-CB 4.02Å; V12-A259 WeakPolarHBondContact CG1-O 3.43Å; I13-A259 HydrophobicContact CD1-CB 3.76Å; I13-A259 HydrophobicContact CG1-CB 3.9Å; L255-A259 PolarHBondContact O-N 2.98Å; L256-A259 PolarHBondContact O-N 2.62Å; A257-A259 VanDerWaalsContact C-N 3.34Å; A257-A259 PolarHBondContact O-N 3.47Å; A259-R261 VanDerWaalsContact C-N 3.34Å; A259-I262 WeakPolarHBondContact O-CB 3.44Å; A259-I262 PolarHBondContact O-N 3.43Å; A259-Q263 PolarHBondContact O-N 3.39Å
260L92.9Very high87Confident0 Ų024.4 Ų24.40%012%0.12CC..Hα-helixtrans-69.9-30.2176.8-72.6171000112.4V12 P136 K139 A140 L256 A257 Q263 N264V12-L260 HydrophobicContact CG1-CD2 4.1Å; V12-L260 HydrophobicContact CG2-CD2 4.04Å; P136-L260 HydrophobicContact CB-CB 4Å; K139-L260 HydrophobicContact CB-CD1 3.96Å; K139-L260 HydrophobicContact CD-CD1 4.15Å; K139-L260 HydrophobicContact CD-CD2 3.94Å; K139-L260 HydrophobicContact CG-CD1 3.83Å; K139-L260 HydrophobicContact CG-CD2 4.41Å; A140-L260 HydrophobicContact CB-CD1 3.97Å; L256-L260 HydrophobicContact CD1-CD1 4.47Å; L256-L260 HydrophobicContact CD1-CG 4.37Å; L256-L260 HydrophobicContact CG-CD1 4.01Å; L256-L260 HydrophobicContact CG-CG 4.37Å; L256-L260 WeakPolarHBondContact O-CB 3.25Å; L256-L260 WeakPolarHBondContact O-CG 3.37Å; L256-L260 PolarHBondContact O-N 3.35Å; A257-L260 PolarHBondContact O-N 3.47Å; L260-Q263 WeakPolarHBondContact O-CB 3.44Å; L260-Q263 PolarHBondContact O-N 3.12Å; L260-N264 PolarHBondContact O-N 3.46Å
261R93.7Very high88.3Confident31 Ų3124.5 Ų24.512%0.11712%0.118CC..Hα-helixtrans-61.1-44.7169.3-178.4-173.9-67.7132.9-1.7110.9L34 N49 V113 D114 P136 A257 A258 A259 Q263 N264 M265L34-R261 HydrophobicContact CD2-CG 4.47Å; N49-R261 PolarHBondContact OD1-NH1 3.15Å; V113-R261 HydrophobicContact CB-CG 4.35Å; V113-R261 HydrophobicContact CG2-CG 3.8Å; D114-R261 IonicContact OD1-CZ 3.3Å; D114-R261 IonicContact OD1-NE 2.72Å; D114-R261 PolarHBondContact OD1-NE 3.34Å; D114-R261 IonicContact OD1-NH2 2.72Å; D114-R261 PolarHBondContact OD1-NH2 2.99Å; D114-R261 IonicContact OD2-NE 3.12Å; D114-R261 IonicContact OD2-NH2 3.01Å; P136-R261 HydrophobicContact CB-CB 4.28Å; P136-R261 HydrophobicContact CG-CB 3.96Å; A257-R261 PolarHBondContact O-N 3.32Å; A258-R261 WeakPolarHBondContact O-CB 3.49Å; A258-R261 PolarHBondContact O-N 2.91Å; A259-R261 VanDerWaalsContact C-N 3.34Å; R261-Q263 VanDerWaalsContact C-N 3.3Å; R261-Q263 PolarHBondContact O-N 3.39Å; R261-N264 WeakPolarHBondContact O-CB 3.48Å; R261-N264 PolarHBondContact O-N 3.18Å; R261-N264 VanDerWaalsContact O-N 3.17Å; R261-M265 PolarHBondContact O-N 3.18Å
262I92.8Very high89.3Confident1 Ų123.2 Ų23.21%0.00511%0.106CC..Hα-helixtrans-61.8-40.3174.5-68.3165.9000110.8I13 L52 A56 L58 A258 A259 N264 M265 V266I13-I262 HydrophobicContact CD1-CB 4.33Å; I13-I262 HydrophobicContact CD1-CD1 3.79Å; I13-I262 HydrophobicContact CD1-CG2 4.32Å; L52-I262 HydrophobicContact CB-CD1 3.35Å; A56-I262 HydrophobicContact CB-CG2 3.78Å; L58-I262 HydrophobicContact CD2-CG1 4.38Å; L58-I262 HydrophobicContact CD2-CG2 4.32Å; A258-I262 PolarHBondContact O-N 3.46Å; A259-I262 WeakPolarHBondContact O-CB 3.44Å; A259-I262 PolarHBondContact O-N 3.43Å; I262-N264 PolarHBondContact O-N 2.86Å; I262-M265 WeakPolarHBondContact O-CB 3.35Å; I262-M265 PolarHBondContact O-N 3.21Å; I262-V266 WeakPolarHBondContact O-CG2 3.49Å; I262-V266 PolarHBondContact O-N 2.94Å
263Q93.6Very high89.9Confident44 Ų4422.4 Ų22.421%0.20610%0.101CC..Hα-helixtrans-62-41.1173.9-178.3-177.97400112.6V12 A259 L260 R261 M265 V266 S267V12-Q263 HydrophobicContact CG1-CB 3.97Å; A259-Q263 PolarHBondContact O-N 3.39Å; L260-Q263 WeakPolarHBondContact O-CB 3.44Å; L260-Q263 PolarHBondContact O-N 3.12Å; R261-Q263 VanDerWaalsContact C-N 3.3Å; R261-Q263 PolarHBondContact O-N 3.39Å; Q263-M265 VanDerWaalsContact C-N 3.33Å; Q263-V266 PolarHBondContact O-N 3.31Å; Q263-S267 WeakPolarHBondContact O-CB 3.37Å; Q263-S267 PolarHBondContact O-N 2.81Å; Q263-S267 PolarHBondContact O-OG 3.06Å
264N94.6Very high90.1Very high13 Ų1328 Ų287%0.0712%0.122CC..Hα-helixtrans-63.3-40.7173.4-79-7.9000110.8V113 F133 V134 L260 R261 I262 S267 S268V113-N264 HydrophobicContact CB-CB 4.11Å; V113-N264 WeakPolarHBondContact O-CB 3.49Å; V113-N264 PolarHBondContact O-ND2 2.88Å; F133-N264 HydrophobicContact CD1-CB 4.01Å; F133-N264 WeakPolarHBondContact CE1-O 3.4Å; V134-N264 PolarHBondContact O-ND2 3.48Å; L260-N264 PolarHBondContact O-N 3.46Å; R261-N264 WeakPolarHBondContact O-CB 3.48Å; R261-N264 PolarHBondContact O-N 3.18Å; R261-N264 VanDerWaalsContact O-N 3.17Å; I262-N264 PolarHBondContact O-N 2.86Å; N264-S267 CarbonylContact O-C 3.59Å; N264-S267 WeakPolarHBondContact O-CB 3.23Å; N264-S267 PolarHBondContact O-N 2.87Å; N264-S268 PolarHBondContact O-N 3.06Å
265M93.2Very high90.2Very high0 Ų030.2 Ų30.20%013%0.131CC..Hα-helixtrans-60.4-47.9174.6175.957.4-170.700112.5P32 V33 L34 L58 H88 G89 V113 R261 I262 Q263 S267 S268 G269P32-M265 HydrophobicContact CB-CE 3.61Å; V33-M265 WeakPolarHBondContact O-CE 3.48Å; L34-M265 HydrophobicContact CB-CE 4.4Å; L34-M265 HydrophobicContact CB-CG 4.09Å; L34-M265 HydrophobicContact CB-SD 4.17Å; L34-M265 HydrophobicContact CD1-SD 4.41Å; L58-M265 HydrophobicContact CD1-CE 4.05Å; L58-M265 HydrophobicContact CD1-CG 3.88Å; L58-M265 HydrophobicContact CD2-CB 4.3Å; L58-M265 HydrophobicContact CD2-CG 3.71Å; L58-M265 HydrophobicContact CG-CG 4.44Å; H88-M265 HydrophobicContact CB-CE 3.63Å; H88-M265 HydrophobicContact CB-SD 4.38Å; G89-M265 WeakPolarHBondContact CA-SD 3.38Å; G89-M265 PolarHBondContact N-SD 2.86Å; G89-M265 VanDerWaalsContact N-SD 3.35Å; V113-M265 HydrophobicContact CG1-CB 4.07Å; V113-M265 HydrophobicContact CG1-SD 4.24Å; R261-M265 PolarHBondContact O-N 3.18Å; I262-M265 WeakPolarHBondContact O-CB 3.35Å; I262-M265 PolarHBondContact O-N 3.21Å; Q263-M265 VanDerWaalsContact C-N 3.33Å; M265-S267 VanDerWaalsContact C-N 3.27Å; M265-S267 PolarHBondContact O-N 2.72Å; M265-S268 WeakPolarHBondContact O-CB 3.42Å; M265-S268 PolarHBondContact O-N 3.02Å; M265-S268 VanDerWaalsContact O-N 3.15Å; M265-G269 PolarHBondContact O-N 2.93Å
266V92.4Very high90.2Very high7 Ų729.5 Ų29.54%0.04213%0.127CC..Hα-helixtrans-62.2-38.6175.2173.70000110.7V19 L20 I262 Q263 S268 G269 R270V19-V266 HydrophobicContact CB-CG1 4.02Å; V19-V266 HydrophobicContact CG1-CG1 3.58Å; L20-V266 HydrophobicContact CB-CG2 4.31Å; I262-V266 WeakPolarHBondContact O-CG2 3.49Å; I262-V266 PolarHBondContact O-N 2.94Å; Q263-V266 PolarHBondContact O-N 3.31Å; V266-S268 VanDerWaalsContact C-N 3.34Å; V266-G269 PolarHBondContact O-N 3.05Å; V266-R270 WeakPolarHBondContact O-CB 3.49Å; V266-R270 PolarHBondContact O-N 3.23Å
267S91.8Very high90Very high25 Ų2534.9 Ų34.918%0.17515%0.152CC..Hα-helixtrans-64.5-38.3174.8-65.40000112.4Q263 N264 M265 R270 R271Q263-S267 WeakPolarHBondContact O-CB 3.37Å; Q263-S267 PolarHBondContact O-N 2.81Å; Q263-S267 PolarHBondContact O-OG 3.06Å; N264-S267 CarbonylContact O-C 3.59Å; N264-S267 WeakPolarHBondContact O-CB 3.23Å; N264-S267 PolarHBondContact O-N 2.87Å; M265-S267 VanDerWaalsContact C-N 3.27Å; M265-S267 PolarHBondContact O-N 2.72Å; S267-R270 PolarHBondContact O-N 3.25Å; S267-R271 WeakPolarHBondContact O-CG 3.25Å; S267-R271 PolarHBondContact O-N 2.92Å
268S92.6Very high89.8Confident4 Ų437.4 Ų37.43%0.02816%0.162CC..Hα-helixtrans-63-51.8173.7-175.40000111.1H88 E110 N264 M265 V266 R270 R271 W272H88-S268 WeakPolarHBondContact O-CB 3.41Å; H88-S268 PolarHBondContact O-OG 3.03Å; E110-S268 PolarHBondContact O-OG 3.31Å; N264-S268 PolarHBondContact O-N 3.06Å; M265-S268 WeakPolarHBondContact O-CB 3.42Å; M265-S268 PolarHBondContact O-N 3.02Å; M265-S268 VanDerWaalsContact O-N 3.15Å; V266-S268 VanDerWaalsContact C-N 3.34Å; S268-R270 VanDerWaalsContact C-N 3.26Å; S268-R270 PolarHBondContact O-N 3.45Å; S268-R271 CarbonylContact O-C 3.49Å; S268-R271 WeakPolarHBondContact O-CA 3.48Å; S268-R271 WeakPolarHBondContact O-CB 3.32Å; S268-R271 PolarHBondContact O-N 2.98Å; S268-W272 PolarHBondContact O-N 3.41Å
269G90.8Very high89.4Confident0 Ų043.4 Ų43.40%019%0.185CC..Hα-helixtrans-54.1-41.617500000113.3M265 V266 W272 L273M265-G269 PolarHBondContact O-N 2.93Å; V266-G269 PolarHBondContact O-N 3.05Å; G269-W272 PolarHBondContact O-N 3.06Å; G269-L273 WeakPolarHBondContact O-CG 3.46Å; G269-L273 PolarHBondContact O-N 2.9Å
270R90.3Very high89Confident104 Ų10453.4 Ų53.439%0.39222%0.223SC..Hα-helixtrans-66.7-34.4174.2-173.2179.257.5168.6-3113.5L23 V266 S267 S268 R274L23-R270 HydrophobicContact CD1-CB 3.89Å; L23-R270 HydrophobicContact CD1-CG 4.37Å; L23-R270 HydrophobicContact CD2-CG 4.23Å; V266-R270 WeakPolarHBondContact O-CB 3.49Å; V266-R270 PolarHBondContact O-N 3.23Å; S267-R270 PolarHBondContact O-N 3.25Å; S268-R270 VanDerWaalsContact C-N 3.26Å; S268-R270 PolarHBondContact O-N 3.45Å; R270-R274 WeakPolarHBondContact O-CG 3.48Å; R270-R274 PolarHBondContact O-N 3.44Å; R270-R274 PolarHBondContact O-NE 2.73Å
271R88.9Confident88.9Confident61 Ų6154.2 Ų54.223%0.2323%0.226CC..Hα-helixtrans-69.5-47.6174.5-76.9176.9178.4159.71.1109.7H130 C132 F133 S267 S268 L273 R274 E275H130-R271 PolarHBondContact O-NH2 3.36Å; C132-R271 PolarHBondContact O-NH1 3.22Å; C132-R271 PolarHBondContact O-NH2 3.22Å; F133-R271 VanDerWaalsContact CE2-NH1 3.34Å; S267-R271 WeakPolarHBondContact O-CG 3.25Å; S267-R271 PolarHBondContact O-N 2.92Å; S268-R271 CarbonylContact O-C 3.49Å; S268-R271 WeakPolarHBondContact O-CA 3.48Å; S268-R271 WeakPolarHBondContact O-CB 3.32Å; S268-R271 PolarHBondContact O-N 2.98Å; R271-L273 PolarHBondContact O-N 3.25Å; R271-R274 WeakPolarHBondContact O-CB 3.46Å; R271-R274 PolarHBondContact O-N 3.45Å; R271-R274 VanDerWaalsContact O-N 3.1Å; R271-E275 WeakPolarHBondContact O-CG 3.43Å; R271-E275 PolarHBondContact O-N 3.01Å
272W88.7Confident88.7Confident76 Ų7663.5 Ų63.529%0.28826%0.261SS..Hα-helixtrans-55.7-50.1176-178.988.1000112.1F30 H88 S268 G269 R274 E275 Q276F30-W272 AromaticContact CD2-CE3 3.96Å; F30-W272 HydrophobicContact CD2-CE3 3.96Å; F30-W272 AromaticContact CD2-CZ3 3.7Å; F30-W272 HydrophobicContact CD2-CZ3 3.7Å; F30-W272 AromaticContact CE2-CE3 3.82Å; F30-W272 HydrophobicContact CE2-CE3 3.82Å; F30-W272 HydrophobicContact CE2-CZ3 4.06Å; H88-W272 AromaticContact CD2-CD2 3.48Å; H88-W272 VanDerWaalsContact CD2-CD2 3.48Å; H88-W272 AromaticContact CD2-CE2 3.97Å; H88-W272 AromaticContact CD2-CE3 3.68Å; H88-W272 AromaticContact CD2-CG 3.67Å; H88-W272 AromaticContact NE2-CD2 3.67Å; H88-W272 AromaticContact NE2-CE2 3.89Å; H88-W272 AromaticContact NE2-CE3 3.59Å; H88-W272 AromaticContact NE2-CZ3 3.77Å; S268-W272 PolarHBondContact O-N 3.41Å; G269-W272 PolarHBondContact O-N 3.06Å; W272-R274 VanDerWaalsContact C-N 3.26Å; W272-R274 PolarHBondContact O-N 3.45Å; W272-E275 WeakPolarHBondContact O-CA 3.11Å; W272-E275 WeakPolarHBondContact O-CB 3.26Å; W272-E275 PolarHBondContact O-N 2.93Å; W272-Q276 HydrophobicContact CD2-CG 3.9Å; W272-Q276 VanDerWaalsContact CE2-NE2 3.33Å; W272-Q276 HydrophobicContact CE3-CG 3.87Å; W272-Q276 HydrophobicContact CH2-CG 3.69Å; W272-Q276 HydrophobicContact CZ2-CG 3.72Å; W272-Q276 HydrophobicContact CZ3-CG 3.76Å; W272-Q276 WeakPolarHBondContact O-CG 3.4Å; W272-Q276 PolarHBondContact O-N 3.45Å
273L88.1Confident88.7Confident16 Ų1664.9 Ų64.98%0.08427%0.268CS..Hα-helixtrans-57.9-38.7176.7-80.8172.4000112.7L23 N27 F30 G269 R271 E275 Q276L23-L273 HydrophobicContact CB-CD1 3.96Å; L23-L273 HydrophobicContact CD1-CD1 4.39Å; L23-L273 HydrophobicContact CD2-CD1 3.85Å; L23-L273 HydrophobicContact CG-CD1 4.27Å; N27-L273 HydrophobicContact CB-CD2 4.13Å; F30-L273 HydrophobicContact CB-CD2 4.18Å; F30-L273 HydrophobicContact CD1-CD1 3.67Å; F30-L273 HydrophobicContact CD1-CG 4.38Å; F30-L273 HydrophobicContact CD2-CD1 4.13Å; F30-L273 HydrophobicContact CD2-CD2 3.89Å; F30-L273 HydrophobicContact CD2-CG 3.93Å; F30-L273 HydrophobicContact CE1-CD1 3.76Å; F30-L273 HydrophobicContact CE1-CG 4.46Å; F30-L273 HydrophobicContact CE2-CD1 4.2Å; F30-L273 HydrophobicContact CE2-CD2 4.45Å; F30-L273 HydrophobicContact CE2-CG 4.01Å; F30-L273 HydrophobicContact CG-CD1 3.86Å; F30-L273 HydrophobicContact CG-CD2 3.98Å; F30-L273 HydrophobicContact CG-CG 4.12Å; F30-L273 HydrophobicContact CZ-CD1 4.03Å; F30-L273 HydrophobicContact CZ-CG 4.29Å; G269-L273 WeakPolarHBondContact O-CG 3.46Å; G269-L273 PolarHBondContact O-N 2.9Å; R271-L273 PolarHBondContact O-N 3.25Å; L273-E275 VanDerWaalsContact C-N 3.26Å; L273-E275 PolarHBondContact O-N 3.17Å; L273-Q276 PolarHBondContact O-N 2.99Å
274R85.5Confident88.8Confident122 Ų12268.7 Ų68.746%0.4629%0.286SS..Hα-helixtrans-68.7-25.1175-79.8-174.2-88.2-179.5-7.5112.7R270 R271 W272 R279R270-R274 WeakPolarHBondContact O-CG 3.48Å; R270-R274 PolarHBondContact O-N 3.44Å; R270-R274 PolarHBondContact O-NE 2.73Å; R271-R274 WeakPolarHBondContact O-CB 3.46Å; R271-R274 PolarHBondContact O-N 3.45Å; R271-R274 VanDerWaalsContact O-N 3.1Å; W272-R274 VanDerWaalsContact C-N 3.26Å; W272-R274 PolarHBondContact O-N 3.45Å; R274-R279 PolarHBondContact O-NE 3.38Å; R274-R279 VanDerWaalsContact O-NE 3.14Å; R274-R279 PolarHBondContact O-NH2 2.88Å
275E83.1Confident88.8Confident68 Ų6869.7 Ų69.732%0.31829%0.293SS..Hα-helixtrans-79.4-30.2174.7-71.3169.117900112.2R271 W272 L273 Q277 R279R271-E275 WeakPolarHBondContact O-CG 3.43Å; R271-E275 PolarHBondContact O-N 3.01Å; W272-E275 WeakPolarHBondContact O-CA 3.11Å; W272-E275 WeakPolarHBondContact O-CB 3.26Å; W272-E275 PolarHBondContact O-N 2.93Å; L273-E275 VanDerWaalsContact C-N 3.26Å; L273-E275 PolarHBondContact O-N 3.17Å; E275-Q277 VanDerWaalsContact C-N 3.27Å; E275-Q277 PolarHBondContact O-N 3.43Å; E275-R279 VanDerWaalsContact CA-NH2 3.26Å
276Q83.6Confident89Confident37 Ų3771.1 Ų71.117%0.17330%0.301CS..Hα-helixtrans-66.6-29.9176.9-60.6-47.9-57.400113.1W272 L273 R340W272-Q276 HydrophobicContact CD2-CG 3.9Å; W272-Q276 VanDerWaalsContact CE2-NE2 3.33Å; W272-Q276 HydrophobicContact CE3-CG 3.87Å; W272-Q276 HydrophobicContact CH2-CG 3.69Å; W272-Q276 HydrophobicContact CZ2-CG 3.72Å; W272-Q276 HydrophobicContact CZ3-CG 3.76Å; W272-Q276 WeakPolarHBondContact O-CG 3.4Å; W272-Q276 PolarHBondContact O-N 3.45Å; L273-Q276 PolarHBondContact O-N 2.99Å; Q276-R340 HydrophobicContact CB-CG 4.26Å; Q276-R340 WeakPolarHBondContact O-CG 3.27Å; Q276-R340 PolarHBondContact O-NH1 3.42Å
277Q84.1Confident89.1Confident117 Ų11779.8 Ų79.855%0.54734%0.338SS..SBendtrans-67.9147.9-178.5-68.9178.1-13.400112.6E275 R279E275-Q277 VanDerWaalsContact C-N 3.27Å; E275-Q277 PolarHBondContact O-N 3.43Å; Q277-R279 PolarHBondContact O-N 2.67Å
278H84.9Confident89.3Confident58 Ų5880 Ų8027%0.26934%0.337SS..  trans-57.3132.7168.8171.9-97.7000110.2L341 Q344 L636H278-L341 HydrophobicContact CB-CD2 4.16Å; H278-Q344 HydrophobicContact CB-CG 4Å; H278-Q344 VanDerWaalsContact CB-OE1 3.24Å; H278-L636 PolarHBondContact NE2-O 3.3Å
279R81.1Confident89.2Confident128 Ų12887.8 Ų87.848%0.48337%0.373SS..  trans-120.1146.6178.9-68.4176.9178.3-173.6-3.4109.2R274 E275 Q277 W281R274-R279 PolarHBondContact O-NE 3.38Å; R274-R279 VanDerWaalsContact O-NE 3.14Å; R274-R279 PolarHBondContact O-NH2 2.88Å; E275-R279 VanDerWaalsContact CA-NH2 3.26Å; Q277-R279 PolarHBondContact O-N 2.67Å; R279-W281 PolarHBondContact O-N 3.14Å
280R81.8Confident89.4Confident209 Ų20990.5 Ų90.579%0.78939%0.391SS*.  trans-56.5128167.1-174176.1-179.3175.81.8108.9
281W92.2Very high89.7Confident18 Ų1890.5 Ų90.57%0.06840%0.398CS..  trans-62.1146-179.3-63.72.7000110.5R279 E315 I316 N382 F384 P609 L636 V637R279-W281 PolarHBondContact O-N 3.14Å; W281-E315 WeakPolarHBondContact CA-O 3.49Å; W281-E315 WeakPolarHBondContact CB-O 3.44Å; W281-I316 HydrophobicContact CD2-CB 4.08Å; W281-I316 HydrophobicContact CD2-CG2 4.06Å; W281-I316 HydrophobicContact CE3-CB 4.39Å; W281-I316 HydrophobicContact CE3-CG2 3.88Å; W281-I316 HydrophobicContact CH2-CB 4.27Å; W281-I316 HydrophobicContact CH2-CG2 4.09Å; W281-I316 HydrophobicContact CZ2-CB 3.97Å; W281-I316 HydrophobicContact CZ2-CG2 4.27Å; W281-I316 HydrophobicContact CZ3-CB 4.48Å; W281-I316 HydrophobicContact CZ3-CG2 3.9Å; W281-I316 PolarHBondContact NE1-O 3.1Å; W281-I316 VanDerWaalsContact NE1-O 3.14Å; W281-N382 WeakPolarHBondContact CB-OD1 3.5Å; W281-N382 HydrophobicContact CD2-CB 4Å; W281-N382 VanDerWaalsContact CD2-CG 3.4Å; W281-N382 HydrophobicContact CE3-CB 3.91Å; W281-N382 VanDerWaalsContact CG-ND2 3.32Å; W281-N382 HydrophobicContact CH2-CB 4.43Å; W281-N382 HydrophobicContact CZ2-CB 4.48Å; W281-N382 HydrophobicContact CZ3-CB 4.14Å; W281-F384 AromaticContact CH2-CD2 3.8Å; W281-F384 HydrophobicContact CH2-CD2 3.8Å; W281-F384 HydrophobicContact CH2-CE2 4.34Å; W281-F384 HydrophobicContact CZ2-CD2 4.31Å; W281-P609 HydrophobicContact CH2-CG 3.85Å; W281-P609 HydrophobicContact CZ3-CG 3.79Å; W281-L636 HydrophobicContact CZ2-CB 4.12Å; W281-L636 WeakPolarHBondContact CZ2-O 3.06Å; W281-L636 PolarHBondContact NE1-O 2.62Å; W281-V637 HydrophobicContact CH2-CG1 3.67Å; W281-V637 HydrophobicContact CZ2-CB 4.34Å; W281-V637 HydrophobicContact CZ2-CG1 3.83Å
282R88.5Confident89.8Confident226 Ų22693.4 Ų93.485%0.85343%0.427SS*.  trans-116.753.1170.9-65.4-174.1-178.4-177.60.5108.7H284 E315R282-H284 PolarHBondContact O-N 2.93Å; R282-E315 PolarHBondContact N-O 2.94Å
283L93.4Very high90Very high30 Ų3095.4 Ų95.416%0.15745%0.45CS..  trans-72.1125.1-175.8-169.681000110.8L312 E315 I316 T376L283-L312 HydrophobicContact CD1-CD1 3.72Å; L283-E315 WeakPolarHBondContact CA-OE2 3.44Å; L283-E315 HydrophobicContact CD1-CB 4.01Å; L283-E315 WeakPolarHBondContact CD1-OE2 3.46Å; L283-I316 HydrophobicContact CD1-CG2 3.87Å; L283-T376 HydrophobicContact CD2-CG2 3.25Å
284H94.9Very high90.3Very high124 Ų12496.2 Ų96.257%0.57446%0.456SS*.  trans-92.796.7174.3175.964.7000110.5R282 L286 K307 E315R282-H284 PolarHBondContact O-N 2.93Å; H284-L286 PolarHBondContact O-N 3.18Å; H284-K307 WeakPolarHBondContact O-CE 3.35Å; H284-K307 PolarHBondContact O-NZ 2.81Å; H284-E315 PolarHBondContact N-OE2 3Å
285C95.9Very high90.7Very high33 Ų3392 Ų9222%0.22344%0.444CS..PPolyproline II helixtrans-64.6137.1-178.8-62.10000112.3A377 E606C285-A377 HydrophobicContact CB-CB 3.92Å; C285-A377 VanDerWaalsContact SG-CA 3.59Å; C285-E606 WeakPolarHBondContact CA-O 3.33Å
286L96.8Very high91.2Very high31 Ų3191.3 Ų91.316%0.16245%0.447CS..PPolyproline II helixtrans-74.3138.1176-60.3176.3000109.4H284 K307 E606H284-L286 PolarHBondContact O-N 3.18Å; L286-K307 HydrophobicContact CD1-CG 4.28Å; L286-K307 HydrophobicContact CD2-CG 3.94Å; L286-K307 HydrophobicContact CG-CG 4.27Å; L286-E606 PolarHBondContact N-O 3.44Å
287K95.1Very high91.6Very high188 Ų18891.5 Ų91.582%0.81745%0.449SS*.PPolyproline II helixtrans-75.3139.5176-67.8-176.7-179.7177.90110Q304K287-Q304 PolarHBondContact O-NE2 3.44Å
288L94.1Very high91.9Very high29 Ų2987 Ų8715%0.15243%0.428CS..  trans-106.7140.8174.9-158.282.7000110P290 Y407 L605 E606L288-P290 HydrophobicContact CD2-CG 3.76Å; L288-P290 HydrophobicContact CG-CG 4.32Å; L288-Y407 HydrophobicContact CD1-CD1 3.96Å; L288-Y407 HydrophobicContact CD2-CD1 3.62Å; L288-Y407 HydrophobicContact CD2-CG 3.91Å; L288-Y407 HydrophobicContact CG-CD1 3.9Å; L288-Y407 HydrophobicContact CG-CE1 4.49Å; L288-L605 HydrophobicContact CD1-CB 3.71Å; L288-L605 HydrophobicContact CD1-CD1 4.31Å; L288-E606 HydrophobicContact CB-CG 4.06Å; L288-E606 HydrophobicContact CD1-CG 4.34Å
289Q92.1Very high92.3Very high168 Ų16889.9 Ų89.979%0.78544%0.442SS*.  trans-122.184.4172-65.9-176.9-1.500109.6L291Q289-L291 PolarHBondContact O-N 2.65Å
290P94.5Very high93Very high58 Ų5884.2 Ų84.238%0.37742%0.421SS..  trans-62.5135.3179.4-21.632.7000112.6L288 Y407 S767L288-P290 HydrophobicContact CD2-CG 3.76Å; L288-P290 HydrophobicContact CG-CG 4.32Å; P290-Y407 VanDerWaalsContact CA-CZ 3.48Å; P290-Y407 HydrophobicContact CB-CD2 4.09Å; P290-Y407 HydrophobicContact CB-CE1 4.5Å; P290-Y407 HydrophobicContact CB-CE2 3.92Å; P290-Y407 HydrophobicContact CB-CG 4.45Å; P290-S767 WeakPolarHBondContact CB-O 3.35Å
291L95.7Very high93.6Very high104 Ų10474.7 Ų74.755%0.54539%0.387SS..  trans-102152.1175.1-59.8178.9000110.4Q289 P293 P295 Y407Q289-L291 PolarHBondContact O-N 2.65Å; L291-P293 CarbonylContact C-O 3.57Å; L291-P295 HydrophobicContact CB-CG 4.21Å; L291-P295 HydrophobicContact CD1-CG 3.98Å; L291-Y407 WeakPolarHBondContact CB-OH 3.26Å; L291-Y407 PolarHBondContact N-OH 3.06Å
292S91.9Very high93.6Very high122 Ų12278.4 Ų78.485%0.85340%0.401SS*.SBendtrans-134.6119.4174.1177.40000109
293P92.8Very high93.9Very high117 Ų11770.8 Ų70.876%0.7639%0.392SS*.SBendcis-64.8151.12.729.2-35.7000112.9L291 P295L291-P293 CarbonylContact C-O 3.57Å; P293-P295 WeakPolarHBondContact O-CD 3.45Å
294V94.3Very high93.9Very high34 Ų3471 Ų7121%0.20639%0.392CS..  trans-65.3125.3179179.40000108.5I300 Y407 W766V294-I300 HydrophobicContact CG1-CD1 3.73Å; V294-Y407 HydrophobicContact CG1-CD2 4.25Å; V294-Y407 HydrophobicContact CG1-CE2 4Å; V294-Y407 HydrophobicContact CG2-CE2 4.44Å; V294-W766 HydrophobicContact CB-CH2 3.54Å; V294-W766 HydrophobicContact CB-CZ2 4.26Å; V294-W766 HydrophobicContact CB-CZ3 3.74Å; V294-W766 HydrophobicContact CG1-CE3 4.49Å; V294-W766 HydrophobicContact CG1-CH2 3.65Å; V294-W766 HydrophobicContact CG1-CZ2 3.85Å; V294-W766 HydrophobicContact CG1-CZ3 3.99Å; V294-W766 HydrophobicContact CG2-CE3 4.22Å; V294-W766 HydrophobicContact CG2-CH2 3.96Å; V294-W766 HydrophobicContact CG2-CZ3 3.59Å
295P94.8Very high93.9Very high33 Ų3370.7 Ų70.721%0.21440%0.399CS..  trans-66.2177.4176.7-17.430.4000112.4L291 P293 E299 I300L291-P295 HydrophobicContact CB-CG 4.21Å; L291-P295 HydrophobicContact CD1-CG 3.98Å; P293-P295 WeakPolarHBondContact O-CD 3.45Å; P295-E299 HydrophobicContact CB-CB 4.01Å; P295-I300 HydrophobicContact CB-CG1 4.06Å; P295-I300 HydrophobicContact CG-CG1 4.18Å
296S92.3Very high93.9Very high53 Ų5371 Ų7137%0.37140%0.401SS..  trans-64.5153171.266.80000111.5I298 E299 I300S296-I298 PolarHBondContact O-N 2.86Å; S296-E299 WeakPolarHBondContact CB-OE2 3.22Å; S296-E299 PolarHBondContact N-OE2 2.61Å; S296-E299 PolarHBondContact O-N 3.21Å; S296-E299 VanDerWaalsContact O-N 3.08Å; S296-E299 WeakPolarHBondContact OG-CB 3.49Å; S296-E299 WeakPolarHBondContact OG-CG 3.45Å; S296-E299 PolarHBondContact OG-N 3Å; S296-E299 PolarHBondContact OG-OE2 2.82Å; S296-I300 WeakPolarHBondContact O-CG1 3.35Å; S296-I300 PolarHBondContact O-N 2.83Å
297D92.3Very high93.9Very high42 Ų4270.5 Ų70.523%0.22540%0.397CS..Hα-helixtrans-55.8-39.6-177.2-71.6-7.8000112.4I300 S301 G406 Q409 M413D297-I300 PolarHBondContact O-N 3.1Å; D297-S301 PolarHBondContact O-N 2.84Å; D297-G406 WeakPolarHBondContact OD1-CA 3.41Å; D297-G406 PolarHBondContact OD1-N 3.04Å; D297-Q409 PolarHBondContact O-NE2 2.92Å; D297-Q409 PolarHBondContact O-OE1 3.49Å; D297-M413 HydrophobicContact CB-CE 4.14Å; D297-M413 HydrophobicContact CB-SD 4.17Å
298I91.2Very high94Very high22 Ų2263.6 Ų63.611%0.11338%0.376CS..Hα-helixtrans-69.6-38.1178.4-172.756.4000112.7S296 I300 S301 R302 E414 F913S296-I298 PolarHBondContact O-N 2.86Å; I298-I300 VanDerWaalsContact C-N 3.33Å; I298-S301 PolarHBondContact O-N 3.44Å; I298-R302 HydrophobicContact CD1-CG 4.26Å; I298-R302 WeakPolarHBondContact O-CB 3.45Å; I298-R302 WeakPolarHBondContact O-CG 3.5Å; I298-R302 PolarHBondContact O-N 3.22Å; I298-E414 HydrophobicContact CD1-CG 3.96Å; I298-F913 HydrophobicContact CB-CB 4.14Å; I298-F913 HydrophobicContact CB-CD2 3.86Å; I298-F913 HydrophobicContact CB-CG 4.31Å; I298-F913 HydrophobicContact CD1-CD2 3.71Å; I298-F913 HydrophobicContact CD1-CE2 3.85Å; I298-F913 HydrophobicContact CG1-CD2 3.85Å; I298-F913 HydrophobicContact CG1-CE2 4.48Å; I298-F913 HydrophobicContact CG2-CB 4.3Å
299E93.3Very high94.2Very high118 Ų11862.3 Ų62.355%0.55137%0.369SS*.Hα-helixtrans-63.6-41.1174-73.8166.2144.600110.8P295 S296 R302 G303P295-E299 HydrophobicContact CB-CB 4.01Å; S296-E299 WeakPolarHBondContact CB-OE2 3.22Å; S296-E299 PolarHBondContact N-OE2 2.61Å; S296-E299 PolarHBondContact O-N 3.21Å; S296-E299 VanDerWaalsContact O-N 3.08Å; S296-E299 WeakPolarHBondContact OG-CB 3.49Å; S296-E299 WeakPolarHBondContact OG-CG 3.45Å; S296-E299 PolarHBondContact OG-N 3Å; S296-E299 PolarHBondContact OG-OE2 2.82Å; E299-R302 PolarHBondContact O-N 3.16Å; E299-G303 PolarHBondContact O-N 3.22Å
300I95.3Very high94.4Very high10 Ų1058 Ų585%0.05135%0.351CS..Hα-helixtrans-63.6-45.5174.6-62.5168000110.6V294 P295 S296 D297 I298 R302 G303 Q304 Y407 L605V294-I300 HydrophobicContact CG1-CD1 3.73Å; P295-I300 HydrophobicContact CB-CG1 4.06Å; P295-I300 HydrophobicContact CG-CG1 4.18Å; S296-I300 WeakPolarHBondContact O-CG1 3.35Å; S296-I300 PolarHBondContact O-N 2.83Å; D297-I300 PolarHBondContact O-N 3.1Å; I298-I300 VanDerWaalsContact C-N 3.33Å; I300-R302 VanDerWaalsContact C-N 3.31Å; I300-R302 PolarHBondContact O-N 2.5Å; I300-G303 PolarHBondContact O-N 3.44Å; I300-Q304 PolarHBondContact O-N 3.03Å; I300-Y407 HydrophobicContact CD1-CD2 4.2Å; I300-Y407 HydrophobicContact CD1-CE1 4.31Å; I300-Y407 HydrophobicContact CD1-CE2 3.97Å; I300-Y407 HydrophobicContact CD1-CG 4.47Å; I300-Y407 HydrophobicContact CG1-CE1 4.16Å; I300-Y407 HydrophobicContact CG1-CE2 4.5Å; I300-Y407 HydrophobicContact CG2-CD1 3.64Å; I300-Y407 HydrophobicContact CG2-CE1 3.62Å; I300-Y407 HydrophobicContact CG2-CG 4.4Å; I300-L605 HydrophobicContact CG2-CD1 3.65Å; I300-L605 HydrophobicContact CG2-CD2 4.1Å
301S93.8Very high94.5Very high9 Ų958.3 Ų58.36%0.06335%0.352CS..Hα-helixtrans-61.1-39.5179.2178.80000111.9D297 I298 I411 M413D297-S301 PolarHBondContact O-N 2.84Å; I298-S301 PolarHBondContact O-N 3.44Å; S301-I411 WeakPolarHBondContact OG-CG2 3.45Å; S301-M413 PolarHBondContact OG-N 3.16Å
302R92.6Very high94.6Very high96 Ų9653.3 Ų53.336%0.36233%0.326SS..Hα-helixtrans-76.6-30.4179-73.2175.5174.2171.4-1.2113.1I298 E299 I300 Q304 E414 V909I298-R302 HydrophobicContact CD1-CG 4.26Å; I298-R302 WeakPolarHBondContact O-CB 3.45Å; I298-R302 WeakPolarHBondContact O-CG 3.5Å; I298-R302 PolarHBondContact O-N 3.22Å; E299-R302 PolarHBondContact O-N 3.16Å; I300-R302 VanDerWaalsContact C-N 3.31Å; I300-R302 PolarHBondContact O-N 2.5Å; R302-Q304 PolarHBondContact O-N 3.4Å; R302-E414 IonicContact CZ-OE1 2.64Å; R302-E414 IonicContact NE-OE1 3.87Å; R302-E414 IonicContact NH2-OE1 2.7Å; R302-E414 PolarHBondContact NH2-OE1 2.82Å; R302-V909 PolarHBondContact NH2-O 3.36Å
303G93.9Very high94.9Very high65 Ų6547.6 Ų47.667%0.6729%0.286SS*.Hα-helixtrans-68.4-13.2176.600000114E299 I300E299-G303 PolarHBondContact O-N 3.22Å; I300-G303 PolarHBondContact O-N 3.44Å
304Q95Very high95Very high35 Ų3550.1 Ų50.116%0.16429%0.285CS..SBendtrans-110.9123.1-179.6-170.269.7-6.300111.7K287 I300 R302 P306 I411 L605K287-Q304 PolarHBondContact O-NE2 3.44Å; I300-Q304 PolarHBondContact O-N 3.03Å; R302-Q304 PolarHBondContact O-N 3.4Å; Q304-P306 WeakPolarHBondContact O-CD 3.46Å; Q304-I411 HydrophobicContact CB-CD1 4.14Å; Q304-I411 HydrophobicContact CG-CD1 3.83Å; Q304-L605 HydrophobicContact CB-CD2 3.47Å; Q304-L605 VanDerWaalsContact CB-CD2 3.47Å; Q304-L605 HydrophobicContact CG-CD2 3.8Å; Q304-L605 PolarHBondContact NE2-O 2.65Å
305T95.1Very high95.1Very high118 Ų11850.2 Ų50.272%0.72428%0.283SS*.PPolyproline II helixtrans-80.9116.7173-530000110.3
306P95.5Very high95.2Very high39 Ų3948.7 Ų48.725%0.25327%0.273SS..PPolyproline II helixtrans-68.9153.6175.129.4-34.3000110.8Q304 I411 P412 Q603Q304-P306 WeakPolarHBondContact O-CD 3.46Å; P306-I411 HydrophobicContact CB-CD1 3.9Å; P306-I411 HydrophobicContact CB-CG1 4.32Å; P306-P412 HydrophobicContact CG-CG 4.3Å; P306-Q603 HydrophobicContact CB-CG 4.26Å
307K96.6Very high95.2Very high20 Ų2047.4 Ų47.49%0.08727%0.268CS..PPolyproline II helixtrans-62.3151.9165.7-60.8175.5-174.4171.10110.1H284 L286 V309 E315 Q603H284-K307 WeakPolarHBondContact O-CE 3.35Å; H284-K307 PolarHBondContact O-NZ 2.81Å; L286-K307 HydrophobicContact CD1-CG 4.28Å; L286-K307 HydrophobicContact CD2-CG 3.94Å; L286-K307 HydrophobicContact CG-CG 4.27Å; K307-V309 PolarHBondContact O-N 3.26Å; K307-E315 IonicContact NZ-OE2 2.96Å; K307-E315 PolarHBondContact NZ-OE2 3.23Å; K307-Q603 PolarHBondContact O-NE2 2.74Å
308A97.6Very high95.4Very high44 Ų4445.9 Ų45.936%0.36426%0.26SS..PPolyproline II helixtrans-59.5136162.300000109.5D310 V311 L312 K328A308-D310 VanDerWaalsContact C-N 3.27Å; A308-D310 WeakPolarHBondContact CB-OD1 3.31Å; A308-D310 PolarHBondContact O-N 2.91Å; A308-V311 HydrophobicContact CB-CG2 4.13Å; A308-V311 WeakPolarHBondContact O-CB 3.24Å; A308-V311 PolarHBondContact O-N 3.26Å; A308-V311 VanDerWaalsContact O-N 3.13Å; A308-L312 PolarHBondContact O-N 2.94Å; A308-L312 VanDerWaalsContact O-N 3.08Å; A308-K328 WeakPolarHBondContact CA-O 3.46Å
309V97.5Very high95.4Very high1 Ų146.3 Ų46.31%0.00626%0.262CS..Hα-helixtrans-66.9-28.7-169.868.40000113.1K307 L312 A313 I325 K328 A331 L601K307-V309 PolarHBondContact O-N 3.26Å; V309-L312 PolarHBondContact O-N 3.2Å; V309-A313 VanDerWaalsContact O-CB 3.25Å; V309-A313 WeakPolarHBondContact O-CB 3.37Å; V309-A313 PolarHBondContact O-N 3.18Å; V309-I325 HydrophobicContact CG1-CG1 4.39Å; V309-I325 HydrophobicContact CG1-CG2 4.19Å; V309-K328 PolarHBondContact N-O 3.44Å; V309-A331 HydrophobicContact CB-CB 4.49Å; V309-A331 HydrophobicContact CG1-CB 3.95Å; V309-A331 HydrophobicContact CG2-CB 3.72Å; V309-L601 HydrophobicContact CG2-CB 4.46Å; V309-L601 HydrophobicContact CG2-CD2 4Å; V309-L601 HydrophobicContact CG2-CG 4.13Å
310D96.5Very high95.1Very high77 Ų7745 Ų4541%0.41227%0.271SS..Hα-helixtrans-66.8-38.7173.363.9-41.6000111.9A308 A313 K314 I323 I325A308-D310 VanDerWaalsContact C-N 3.27Å; A308-D310 WeakPolarHBondContact CB-OD1 3.31Å; A308-D310 PolarHBondContact O-N 2.91Å; D310-A313 PolarHBondContact O-N 3.2Å; D310-K314 WeakPolarHBondContact O-CB 3.49Å; D310-K314 PolarHBondContact O-N 3.32Å; D310-I323 HydrophobicContact CB-CD1 4.22Å; D310-I325 HydrophobicContact CB-CD1 4.07Å
311V97.6Very high94.7Very high65 Ų6547.7 Ų47.739%0.39429%0.286SS..Hα-helixtrans-64-48172.6177.80000110A308 A313 K314 E315A308-V311 HydrophobicContact CB-CG2 4.13Å; A308-V311 WeakPolarHBondContact O-CB 3.24Å; A308-V311 PolarHBondContact O-N 3.26Å; A308-V311 VanDerWaalsContact O-N 3.13Å; V311-A313 PolarHBondContact O-N 3.39Å; V311-K314 PolarHBondContact O-N 2.63Å; V311-E315 WeakPolarHBondContact O-CG 3.39Å; V311-E315 PolarHBondContact O-N 3.38Å
312L97.8Very high94.8Very high0 Ų047.5 Ų47.50%028%0.284CS..Hα-helixtrans-58.1-48.8175.8176.666.3000111.5L283 A308 V309 K314 E315 I316 L601 M602 Q603 P609L283-L312 HydrophobicContact CD1-CD1 3.72Å; A308-L312 PolarHBondContact O-N 2.94Å; A308-L312 VanDerWaalsContact O-N 3.08Å; V309-L312 PolarHBondContact O-N 3.2Å; L312-K314 VanDerWaalsContact C-N 3.32Å; L312-K314 PolarHBondContact O-N 3.08Å; L312-E315 WeakPolarHBondContact O-CB 3.5Å; L312-E315 PolarHBondContact O-N 3.02Å; L312-E315 VanDerWaalsContact O-N 3.15Å; L312-I316 HydrophobicContact CD1-CG2 4.36Å; L312-I316 WeakPolarHBondContact O-CG1 3.5Å; L312-I316 PolarHBondContact O-N 3.25Å; L312-I316 VanDerWaalsContact O-N 3.14Å; L312-L601 HydrophobicContact CD2-CD1 4.16Å; L312-L601 HydrophobicContact CD2-CD2 4.36Å; L312-L601 HydrophobicContact CD2-CG 4.15Å; L312-M602 WeakPolarHBondContact CD2-O 3.41Å; L312-Q603 HydrophobicContact CD2-CB 3.81Å; L312-P609 HydrophobicContact CD1-CB 4.37Å
313A97.3Very high95Very high1 Ų143.9 Ų43.91%0.00827%0.272CS..Hα-helixtrans-55.9-46.7179.100000111.5V309 D310 V311 E315 I316 G317 L318 I323 L601V309-A313 VanDerWaalsContact O-CB 3.25Å; V309-A313 WeakPolarHBondContact O-CB 3.37Å; V309-A313 PolarHBondContact O-N 3.18Å; D310-A313 PolarHBondContact O-N 3.2Å; V311-A313 PolarHBondContact O-N 3.39Å; A313-E315 PolarHBondContact O-N 3.38Å; A313-I316 WeakPolarHBondContact O-CG1 3.34Å; A313-I316 PolarHBondContact O-N 3.41Å; A313-G317 PolarHBondContact O-N 3.06Å; A313-L318 HydrophobicContact CB-CB 4.02Å; A313-L318 HydrophobicContact CB-CD1 4.01Å; A313-L318 WeakPolarHBondContact O-CB 3.48Å; A313-L318 PolarHBondContact O-N 2.86Å; A313-I323 HydrophobicContact CB-CD1 3.93Å; A313-I323 HydrophobicContact CB-CG2 3.92Å; A313-L601 HydrophobicContact CB-CD2 4Å
314K95.1Very high95.1Very high171 Ų17142.3 Ų42.374%0.74325%0.247SC*.Hα-helixtrans-62.2-41.8176.5-176.3176.7-179.1174.40112.5D310 V311 L312 I316 G317D310-K314 WeakPolarHBondContact O-CB 3.49Å; D310-K314 PolarHBondContact O-N 3.32Å; V311-K314 PolarHBondContact O-N 2.63Å; L312-K314 VanDerWaalsContact C-N 3.32Å; L312-K314 PolarHBondContact O-N 3.08Å; K314-I316 VanDerWaalsContact C-N 3.26Å; K314-I316 PolarHBondContact O-N 3.26Å; K314-G317 PolarHBondContact O-N 2.95Å
315E96Very high95.2Very high35 Ų3545.3 Ų45.316%0.16426%0.263CS..Hα-helixtrans-63.6-30.9179.8-76.5-179.3-175.200113.2W281 R282 L283 H284 K307 V311 L312 A313W281-E315 WeakPolarHBondContact CA-O 3.49Å; W281-E315 WeakPolarHBondContact CB-O 3.44Å; R282-E315 PolarHBondContact N-O 2.94Å; L283-E315 WeakPolarHBondContact CA-OE2 3.44Å; L283-E315 HydrophobicContact CD1-CB 4.01Å; L283-E315 WeakPolarHBondContact CD1-OE2 3.46Å; H284-E315 PolarHBondContact N-OE2 3Å; K307-E315 IonicContact NZ-OE2 2.96Å; K307-E315 PolarHBondContact NZ-OE2 3.23Å; V311-E315 WeakPolarHBondContact O-CG 3.39Å; V311-E315 PolarHBondContact O-N 3.38Å; L312-E315 WeakPolarHBondContact O-CB 3.5Å; L312-E315 PolarHBondContact O-N 3.02Å; L312-E315 VanDerWaalsContact O-N 3.15Å; A313-E315 PolarHBondContact O-N 3.38Å
316I96.1Very high95.3Very high1 Ų143.3 Ų43.31%0.00524%0.243CC..THydrogen-bonded Turntrans-94.66.6178.468171.9000113.7W281 L283 L312 A313 K314 L318 F384 L601 P609W281-I316 HydrophobicContact CD2-CB 4.08Å; W281-I316 HydrophobicContact CD2-CG2 4.06Å; W281-I316 HydrophobicContact CE3-CB 4.39Å; W281-I316 HydrophobicContact CE3-CG2 3.88Å; W281-I316 HydrophobicContact CH2-CB 4.27Å; W281-I316 HydrophobicContact CH2-CG2 4.09Å; W281-I316 HydrophobicContact CZ2-CB 3.97Å; W281-I316 HydrophobicContact CZ2-CG2 4.27Å; W281-I316 HydrophobicContact CZ3-CB 4.48Å; W281-I316 HydrophobicContact CZ3-CG2 3.9Å; W281-I316 PolarHBondContact NE1-O 3.1Å; W281-I316 VanDerWaalsContact NE1-O 3.14Å; L283-I316 HydrophobicContact CD1-CG2 3.87Å; L312-I316 HydrophobicContact CD1-CG2 4.36Å; L312-I316 WeakPolarHBondContact O-CG1 3.5Å; L312-I316 PolarHBondContact O-N 3.25Å; L312-I316 VanDerWaalsContact O-N 3.14Å; A313-I316 WeakPolarHBondContact O-CG1 3.34Å; A313-I316 PolarHBondContact O-N 3.41Å; K314-I316 VanDerWaalsContact C-N 3.26Å; K314-I316 PolarHBondContact O-N 3.26Å; I316-L318 HydrophobicContact CD1-CD1 3.78Å; I316-L318 HydrophobicContact CD1-CG 4.21Å; I316-L318 HydrophobicContact CG1-CD1 4.2Å; I316-L318 HydrophobicContact CG1-CG 4.2Å; I316-F384 HydrophobicContact CD1-CE2 3.82Å; I316-F384 HydrophobicContact CD1-CZ 4.11Å; I316-L601 HydrophobicContact CD1-CD1 4.06Å; I316-L601 HydrophobicContact CD1-CD2 4.19Å; I316-P609 HydrophobicContact CD1-CB 4.22Å; I316-P609 HydrophobicContact CG2-CB 4.27Å; I316-P609 HydrophobicContact CG2-CG 4.02Å
317G94.1Very high95.2Very high26 Ų2644 Ų4427%0.26826%0.257SS..THydrogen-bonded Turntrans81.220.317400000115.8A313 K314 R340A313-G317 PolarHBondContact O-N 3.06Å; K314-G317 PolarHBondContact O-N 2.95Å; G317-R340 PolarHBondContact O-NH2 2.9Å
318L95.5Very high95.1Very high10 Ų1051.9 Ų51.95%0.05229%0.291CS..  trans-77.6142.6164.5-69.8171000110.2A313 I316 I323 V333 V337 L601 L636A313-L318 HydrophobicContact CB-CB 4.02Å; A313-L318 HydrophobicContact CB-CD1 4.01Å; A313-L318 WeakPolarHBondContact O-CB 3.48Å; A313-L318 PolarHBondContact O-N 2.86Å; I316-L318 HydrophobicContact CD1-CD1 3.78Å; I316-L318 HydrophobicContact CD1-CG 4.21Å; I316-L318 HydrophobicContact CG1-CD1 4.2Å; I316-L318 HydrophobicContact CG1-CG 4.2Å; L318-I323 HydrophobicContact CB-CG2 4.24Å; L318-I323 HydrophobicContact CD1-CG2 3.97Å; L318-V333 HydrophobicContact CD1-CG1 4.32Å; L318-V333 HydrophobicContact CD1-CG2 3.85Å; L318-V333 HydrophobicContact CD2-CG1 3.83Å; L318-V337 HydrophobicContact CD2-CG1 4.24Å; L318-V337 HydrophobicContact CD2-CG2 3.61Å; L318-L601 HydrophobicContact CD1-CD2 3.94Å; L318-L636 HydrophobicContact CD2-CD1 4.01Å; L318-L636 HydrophobicContact CD2-CD2 3.9Å; L318-L636 HydrophobicContact CG-CD1 4.33Å; L318-L636 HydrophobicContact CG-CD2 4.26Å
319L91.3Very high95Very high31 Ų3150 Ų5016%0.16228%0.276CS..  trans-85.4158174.9-54.2-179.8000110.9D321 E322L319-D321 VanDerWaalsContact C-N 3.27Å; L319-D321 WeakPolarHBondContact CB-OD1 3.47Å; L319-D321 PolarHBondContact O-N 2.76Å; L319-E322 HydrophobicContact CB-CB 4.49Å; L319-E322 HydrophobicContact CB-CG 3.98Å; L319-E322 PolarHBondContact N-OE2 3Å; L319-E322 WeakPolarHBondContact O-CB 3.43Å; L319-E322 PolarHBondContact O-N 3.24Å
320A87.6Confident95Very high90 Ų9051 Ų5174%0.74428%0.28SS*.G310 helixtrans-62.8-33.6-176.400000112.9E322 I323A320-E322 VanDerWaalsContact C-N 3.28Å; A320-I323 WeakPolarHBondContact O-CG1 3.19Å
321D87.3Confident95.1Very high68 Ų6847.4 Ų47.436%0.36426%0.261SS..G310 helixtrans-78.3-11.1176.862.2-30.8000113.1L319 R334L319-D321 VanDerWaalsContact C-N 3.27Å; L319-D321 WeakPolarHBondContact CB-OD1 3.47Å; L319-D321 PolarHBondContact O-N 2.76Å; D321-R334 WeakPolarHBondContact O-CD 3.46Å; D321-R334 PolarHBondContact O-NE 2.98Å
322E94.6Very high95.1Very high4 Ų444.3 Ų44.32%0.01924%0.242CC..G310 helixtrans-90.1-4.6178.8-65.8179.3139.300113.6L319 A320 V333 R334 V337 R340L319-E322 HydrophobicContact CB-CB 4.49Å; L319-E322 HydrophobicContact CB-CG 3.98Å; L319-E322 PolarHBondContact N-OE2 3Å; L319-E322 WeakPolarHBondContact O-CB 3.43Å; L319-E322 PolarHBondContact O-N 3.24Å; A320-E322 VanDerWaalsContact C-N 3.28Å; E322-V333 WeakPolarHBondContact O-CA 3.47Å; E322-R334 PolarHBondContact O-N 2.98Å; E322-V337 HydrophobicContact CB-CG2 3.9Å; E322-V337 VanDerWaalsContact CD-CG2 3.46Å; E322-V337 HydrophobicContact CG-CG2 3.98Å; E322-V337 WeakPolarHBondContact OE1-CA 3.46Å; E322-V337 WeakPolarHBondContact OE1-CG2 3.06Å; E322-R340 IonicContact OE1-CZ 3.91Å; E322-R340 IonicContact OE1-NE 3.2Å; E322-R340 PolarHBondContact OE1-NE 2.94Å; E322-R340 IonicContact OE1-NH2 3.43Å; E322-R340 PolarHBondContact OE1-NH2 3.18Å; E322-R340 IonicContact OE2-CZ 2.7Å; E322-R340 IonicContact OE2-NE 2.95Å; E322-R340 PolarHBondContact OE2-NE 3.15Å; E322-R340 IonicContact OE2-NH2 3.83Å; E322-R340 PolarHBondContact OE2-NH2 2.89Å
323I96.5Very high95.2Very high21 Ų2144.3 Ų44.311%0.10824%0.242CC..EExtended strand (participates in β ladder)trans-118.5146179.964170.9000112.1D310 A313 L318 A320 I325 A331 K332 V333D310-I323 HydrophobicContact CB-CD1 4.22Å; A313-I323 HydrophobicContact CB-CD1 3.93Å; A313-I323 HydrophobicContact CB-CG2 3.92Å; L318-I323 HydrophobicContact CB-CG2 4.24Å; L318-I323 HydrophobicContact CD1-CG2 3.97Å; A320-I323 WeakPolarHBondContact O-CG1 3.19Å; I323-I325 HydrophobicContact CD1-CD1 4.35Å; I323-I325 HydrophobicContact CD1-CG1 4.17Å; I323-A331 HydrophobicContact CB-CB 4.37Å; I323-K332 CarbonylContact C-O 3.48Å; I323-K332 WeakPolarHBondContact CA-O 3.47Å; I323-V333 HydrophobicContact CG2-CG2 4.43Å
324E97.3Very high95.2Very high32 Ų3249.4 Ų49.415%0.1526%0.261CS..EExtended strand (participates in β ladder)trans-122.9107.6172.9-67.1169.9-176.900107.2Y326 A331 K332 R334 K598E324-Y326 HydrophobicContact CB-CE2 4.36Å; E324-Y326 VanDerWaalsContact O-CD2 3.27Å; E324-Y326 WeakPolarHBondContact O-CD2 3.26Å; E324-A331 CarbonylContact O-C 3.59Å; E324-A331 WeakPolarHBondContact O-CA 3.44Å; E324-A331 WeakPolarHBondContact O-CB 3.29Å; E324-K332 HydrophobicContact CB-CB 4.12Å; E324-K332 PolarHBondContact N-O 2.99Å; E324-K332 PolarHBondContact O-N 3.04Å; E324-R334 IonicContact OE1-CZ 3.55Å; E324-R334 IonicContact OE1-NE 2.71Å; E324-R334 PolarHBondContact OE1-NE 3.38Å; E324-R334 IonicContact OE1-NH1 3.59Å; E324-R334 IonicContact OE1-NH2 2.85Å; E324-R334 PolarHBondContact OE1-NH2 2.97Å; E324-R334 VanDerWaalsContact OE1-NH2 3.16Å; E324-K598 IonicContact OE1-NZ 3.51Å; E324-K598 PolarHBondContact OE1-NZ 3.17Å; E324-K598 WeakPolarHBondContact OE2-CD 3.46Å; E324-K598 IonicContact OE2-NZ 2.81Å; E324-K598 PolarHBondContact OE2-NZ 3.05Å
325I96.6Very high95.3Very high98 Ų9843.1 Ų43.150%0.50324%0.235SC..EExtended strand (participates in β ladder)trans-77.6133-168.9-63.5175.5000111.1V309 D310 I323 G327V309-I325 HydrophobicContact CG1-CG1 4.39Å; V309-I325 HydrophobicContact CG1-CG2 4.19Å; D310-I325 HydrophobicContact CB-CD1 4.07Å; I323-I325 HydrophobicContact CD1-CD1 4.35Å; I323-I325 HydrophobicContact CD1-CG1 4.17Å; I325-G327 WeakPolarHBondContact CG2-O 3.34Å
326Y96.6Very high95.2Very high76 Ų7644.1 Ų44.130%0.29825%0.246SC..EExtended strand (participates in β ladder)trans-121.384.3175.8-77.5-101.9000110.2E324 K330 K332 T421E324-Y326 HydrophobicContact CB-CE2 4.36Å; E324-Y326 VanDerWaalsContact O-CD2 3.27Å; E324-Y326 WeakPolarHBondContact O-CD2 3.26Å; Y326-K330 CarbonylContact C-O 3.5Å; Y326-K330 PolarHBondContact N-O 2.95Å; Y326-K330 WeakPolarHBondContact O-CG 3.26Å; Y326-K330 PolarHBondContact O-NZ 2.97Å; Y326-K332 HydrophobicContact CD2-CG 4.35Å; Y326-K332 HydrophobicContact CE2-CB 4.05Å; Y326-K332 HydrophobicContact CE2-CD 3.84Å; Y326-K332 HydrophobicContact CE2-CG 3.78Å; Y326-T421 HydrophobicContact CD1-CG2 4.13Å; Y326-T421 HydrophobicContact CD2-CG2 4.1Å; Y326-T421 HydrophobicContact CE1-CG2 4.49Å; Y326-T421 HydrophobicContact CE2-CG2 4.48Å; Y326-T421 HydrophobicContact CG-CG2 3.92Å
327G94.1Very high95.2Very high54 Ų5444.1 Ų44.156%0.55725%0.246SC*.THydrogen-bonded Turntrans74.8-156.2-170.600000111.4I325I325-G327 WeakPolarHBondContact CG2-O 3.34Å
328K94.8Very high95.3Very high184 Ų18444.5 Ų44.580%0.824%0.242SC*.THydrogen-bonded Turntrans-90.5-24.2-173-65.8-179.4180175.70114.3A308 V309A308-K328 WeakPolarHBondContact CA-O 3.46Å; V309-K328 PolarHBondContact N-O 3.44Å
329S95.7Very high95.1Very high5 Ų549.8 Ų49.84%0.03527%0.267CS..THydrogen-bonded Turntrans-108.5-12.7-162.352.10000114.5E415S329-E415 VanDerWaalsContact OG-CD 3.3Å; S329-E415 PolarHBondContact OG-OE1 3.37Å; S329-E415 PolarHBondContact OG-OE2 3.25Å
330K97.1Very high95.1Very high23 Ų2350.4 Ų50.410%0.127%0.267CS..EExtended strand (participates in β ladder)trans-145.3149.4-173.262.2-176.5-169.9-52.80112.9Y326 E415 L420 T421 L601 M602Y326-K330 CarbonylContact C-O 3.5Å; Y326-K330 PolarHBondContact N-O 2.95Å; Y326-K330 WeakPolarHBondContact O-CG 3.26Å; Y326-K330 PolarHBondContact O-NZ 2.97Å; K330-E415 VanDerWaalsContact CD-OE2 3.25Å; K330-E415 WeakPolarHBondContact CD-OE2 3.4Å; K330-E415 VanDerWaalsContact CE-OE2 3.24Å; K330-E415 WeakPolarHBondContact CE-OE2 3.4Å; K330-E415 IonicContact NZ-OE2 3.49Å; K330-E415 PolarHBondContact NZ-OE2 3.3Å; K330-L420 HydrophobicContact CD-CD1 4.14Å; K330-L420 WeakPolarHBondContact CE-O 3.12Å; K330-T421 HydrophobicContact CD-CG2 4.46Å; K330-L601 VanDerWaalsContact CA-O 3.24Å; K330-L601 WeakPolarHBondContact CA-O 3.45Å; K330-M602 HydrophobicContact CB-CG 4Å
331A98.3Very high95.4Very high0 Ų046.4 Ų46.40%023%0.233CC..EExtended strand (participates in β ladder)trans-147.6150179.100000110.8V309 I323 E324 N600 L601V309-A331 HydrophobicContact CB-CB 4.49Å; V309-A331 HydrophobicContact CG1-CB 3.95Å; V309-A331 HydrophobicContact CG2-CB 3.72Å; I323-A331 HydrophobicContact CB-CB 4.37Å; E324-A331 CarbonylContact O-C 3.59Å; E324-A331 WeakPolarHBondContact O-CA 3.44Å; E324-A331 WeakPolarHBondContact O-CB 3.29Å; A331-N600 CarbonylContact O-C 3.54Å; A331-N600 WeakPolarHBondContact O-CA 3.26Å; A331-L601 PolarHBondContact N-O 3.3Å; A331-L601 PolarHBondContact O-N 3.36Å
332K98.8Very high95.7Very high1 Ų148.3 Ų48.30%0.00424%0.238CC..EExtended strand (participates in β ladder)trans-81.4142.2165.1-82.7-174170.9-51.40110.1I323 E324 Y326 T421 D423 D595 K598 P599 N600I323-K332 CarbonylContact C-O 3.48Å; I323-K332 WeakPolarHBondContact CA-O 3.47Å; E324-K332 HydrophobicContact CB-CB 4.12Å; E324-K332 PolarHBondContact N-O 2.99Å; E324-K332 PolarHBondContact O-N 3.04Å; Y326-K332 HydrophobicContact CD2-CG 4.35Å; Y326-K332 HydrophobicContact CE2-CB 4.05Å; Y326-K332 HydrophobicContact CE2-CD 3.84Å; Y326-K332 HydrophobicContact CE2-CG 3.78Å; K332-T421 HydrophobicContact CG-CG2 4.4Å; K332-T421 PolarHBondContact NZ-OG1 2.81Å; K332-D423 VanDerWaalsContact CE-OD1 3.26Å; K332-D423 WeakPolarHBondContact CE-OD1 3.49Å; K332-D423 VanDerWaalsContact NZ-CG 3.34Å; K332-D423 IonicContact NZ-OD1 3.92Å; K332-D423 PolarHBondContact NZ-OD1 3.3Å; K332-D423 IonicContact NZ-OD2 3.77Å; K332-D423 PolarHBondContact NZ-OD2 3.48Å; K332-D595 WeakPolarHBondContact CD-O 3.45Å; K332-D595 WeakPolarHBondContact CE-O 3.4Å; K332-D595 PolarHBondContact NZ-O 2.8Å; K332-K598 HydrophobicContact CB-CB 4.01Å; K332-K598 HydrophobicContact CB-CD 4.35Å; K332-K598 HydrophobicContact CD-CB 4.07Å; K332-K598 HydrophobicContact CD-CD 4.34Å; K332-K598 HydrophobicContact CG-CB 4.22Å; K332-K598 PolarHBondContact NZ-O 3.34Å; K332-P599 CarbonylContact C-O 3.53Å; K332-P599 WeakPolarHBondContact CA-O 3.34Å; K332-N600 VanDerWaalsContact CG-OD1 3.26Å; K332-N600 WeakPolarHBondContact CG-OD1 3.09Å; K332-N600 PolarHBondContact NZ-OD1 3.15Å
333V98.7Very high95.4Very high0 Ų055.1 Ų55.10%027%0.274CS..EExtended strand (participates in β ladder)trans-108124.8177.6178.60000110.2L318 E322 I323 V337 K598 P599 L601 F611 I632L318-V333 HydrophobicContact CD1-CG1 4.32Å; L318-V333 HydrophobicContact CD1-CG2 3.85Å; L318-V333 HydrophobicContact CD2-CG1 3.83Å; E322-V333 WeakPolarHBondContact O-CA 3.47Å; I323-V333 HydrophobicContact CG2-CG2 4.43Å; V333-V337 HydrophobicContact CG1-CG2 3.8Å; V333-K598 WeakPolarHBondContact O-CB 3.49Å; V333-P599 PolarHBondContact N-O 2.99Å; V333-L601 HydrophobicContact CG2-CB 3.95Å; V333-F611 HydrophobicContact CB-CE1 4.06Å; V333-F611 HydrophobicContact CB-CZ 4.23Å; V333-F611 HydrophobicContact CG1-CZ 4.36Å; V333-F611 HydrophobicContact CG2-CE1 3.62Å; V333-F611 HydrophobicContact CG2-CZ 4.04Å; V333-I632 HydrophobicContact CG1-CG2 4.31Å
334R97.8Very high95.2Very high107 Ų10756.5 Ų56.540%0.40428%0.28SS..  trans-70.6150.6-178-62.7-172.3-172.6-117.6-5.1111.5D321 E322 E324 S336 V337D321-R334 WeakPolarHBondContact O-CD 3.46Å; D321-R334 PolarHBondContact O-NE 2.98Å; E322-R334 PolarHBondContact O-N 2.98Å; E324-R334 IonicContact OE1-CZ 3.55Å; E324-R334 IonicContact OE1-NE 2.71Å; E324-R334 PolarHBondContact OE1-NE 3.38Å; E324-R334 IonicContact OE1-NH1 3.59Å; E324-R334 IonicContact OE1-NH2 2.85Å; E324-R334 PolarHBondContact OE1-NH2 2.97Å; E324-R334 VanDerWaalsContact OE1-NH2 3.16Å; R334-S336 WeakPolarHBondContact CB-OG 3.49Å; R334-S336 PolarHBondContact O-N 3.01Å; R334-V337 VanDerWaalsContact O-CG2 3.31Å; R334-V337 WeakPolarHBondContact O-CG2 3.33Å; R334-V337 PolarHBondContact O-N 2.97Å
335L97.2Very high95Very high39 Ų3957 Ų5720%0.20429%0.29CS..THydrogen-bonded Turntrans-72.9-11.1179.4-51.7-171.7000113.4V337 L338 I597 L628 I632L335-V337 PolarHBondContact O-N 3.41Å; L335-V337 VanDerWaalsContact O-N 3.15Å; L335-L338 WeakPolarHBondContact O-CB 3.5Å; L335-L338 PolarHBondContact O-N 3.31Å; L335-I597 HydrophobicContact CD1-CD1 3.94Å; L335-I597 HydrophobicContact CD1-CG1 4.23Å; L335-I597 HydrophobicContact CD1-CG2 4.31Å; L335-L628 HydrophobicContact CD1-CD1 3.99Å; L335-L628 HydrophobicContact CD1-CD2 4.33Å; L335-L628 HydrophobicContact CD2-CD1 3.97Å; L335-L628 HydrophobicContact CD2-CD2 4Å; L335-L628 HydrophobicContact CD2-CG 4.4Å; L335-I632 HydrophobicContact CD2-CD1 3.97Å
336S94.1Very high95.1Very high57 Ų5755.2 Ų55.240%0.39928%0.281SS..Hα-helixtrans-57.5-24.6174.848.40000113R334 L338 E339 R340R334-S336 WeakPolarHBondContact CB-OG 3.49Å; R334-S336 PolarHBondContact O-N 3.01Å; S336-L338 PolarHBondContact O-N 2.94Å; S336-E339 PolarHBondContact O-N 3.46Å; S336-E339 VanDerWaalsContact O-N 3.15Å; S336-R340 PolarHBondContact O-N 2.82Å
337V95.9Very high95.1Very high0 Ų052 Ų520%027%0.271CS..Hα-helixtrans-55.4-39173.7-178.70000111.5L318 E322 V333 R334 L335 R340 L341 I632 L636L318-V337 HydrophobicContact CD2-CG1 4.24Å; L318-V337 HydrophobicContact CD2-CG2 3.61Å; E322-V337 HydrophobicContact CB-CG2 3.9Å; E322-V337 VanDerWaalsContact CD-CG2 3.46Å; E322-V337 HydrophobicContact CG-CG2 3.98Å; E322-V337 WeakPolarHBondContact OE1-CA 3.46Å; E322-V337 WeakPolarHBondContact OE1-CG2 3.06Å; V333-V337 HydrophobicContact CG1-CG2 3.8Å; R334-V337 VanDerWaalsContact O-CG2 3.31Å; R334-V337 WeakPolarHBondContact O-CG2 3.33Å; R334-V337 PolarHBondContact O-N 2.97Å; L335-V337 PolarHBondContact O-N 3.41Å; L335-V337 VanDerWaalsContact O-N 3.15Å; V337-R340 PolarHBondContact O-N 3.21Å; V337-L341 HydrophobicContact CG1-CD1 3.82Å; V337-L341 HydrophobicContact CG1-CG 4.4Å; V337-L341 WeakPolarHBondContact O-CB 3.41Å; V337-L341 PolarHBondContact O-N 2.96Å; V337-I632 HydrophobicContact CB-CG2 4.42Å; V337-I632 HydrophobicContact CG1-CG2 4.05Å; V337-L636 HydrophobicContact CG1-CD2 4.09Å; V337-L636 HydrophobicContact CG1-CG 4.32Å
338L95.6Very high95.3Very high35 Ų3552.2 Ų52.218%0.18326%0.257CS..Hα-helixtrans-68-37.7-179.9-70176000112.3L335 S336 K342 L628 K631 I632 K635L335-L338 WeakPolarHBondContact O-CB 3.5Å; L335-L338 PolarHBondContact O-N 3.31Å; S336-L338 PolarHBondContact O-N 2.94Å; L338-K342 WeakPolarHBondContact O-CA 3.38Å; L338-K342 WeakPolarHBondContact O-CB 3.49Å; L338-K342 PolarHBondContact O-N 2.71Å; L338-L628 HydrophobicContact CD1-CD2 3.74Å; L338-K631 HydrophobicContact CD2-CB 3.94Å; L338-I632 HydrophobicContact CD1-CG1 4.07Å; L338-I632 HydrophobicContact CD2-CB 4.43Å; L338-I632 HydrophobicContact CD2-CG1 3.71Å; L338-I632 HydrophobicContact CG-CD1 4.49Å; L338-I632 HydrophobicContact CG-CG1 3.64Å; L338-K635 HydrophobicContact CD2-CG 4.19Å
339E91.6Very high95.4Very high121 Ų12143.6 Ų43.657%0.56522%0.219SC*.Hα-helixtrans-69.9-43.4176.7-177.756.9-148.700110.6S336 L341 K342S336-E339 PolarHBondContact O-N 3.46Å; S336-E339 VanDerWaalsContact O-N 3.15Å; E339-L341 VanDerWaalsContact C-N 3.34Å; E339-L341 PolarHBondContact O-N 3.38Å; E339-K342 WeakPolarHBondContact O-CD 3.2Å; E339-K342 WeakPolarHBondContact O-CG 3.45Å; E339-K342 PolarHBondContact O-N 2.97Å; E339-K342 WeakPolarHBondContact OE1-CD 3.44Å; E339-K342 IonicContact OE1-NZ 2.82Å; E339-K342 PolarHBondContact OE1-NZ 3.26Å
340R92Very high95.6Very high43 Ų4343.4 Ų43.416%0.16222%0.218CC..Hα-helixtrans-61.4-41.2177.2-178.9175.665.292.7-14.1112.4Q276 G317 E322 S336 V337Q276-R340 HydrophobicContact CB-CG 4.26Å; Q276-R340 WeakPolarHBondContact O-CG 3.27Å; Q276-R340 PolarHBondContact O-NH1 3.42Å; G317-R340 PolarHBondContact O-NH2 2.9Å; E322-R340 IonicContact OE1-CZ 3.91Å; E322-R340 IonicContact OE1-NE 3.2Å; E322-R340 PolarHBondContact OE1-NE 2.94Å; E322-R340 IonicContact OE1-NH2 3.43Å; E322-R340 PolarHBondContact OE1-NH2 3.18Å; E322-R340 IonicContact OE2-CZ 2.7Å; E322-R340 IonicContact OE2-NE 2.95Å; E322-R340 PolarHBondContact OE2-NE 3.15Å; E322-R340 IonicContact OE2-NH2 3.83Å; E322-R340 PolarHBondContact OE2-NH2 2.89Å; S336-R340 PolarHBondContact O-N 2.82Å; V337-R340 PolarHBondContact O-N 3.21Å
341L93.8Very high95.6Very high6 Ų642.3 Ų42.33%0.03121%0.213CC..THydrogen-bonded Turntrans-100.918.5-176.5-60.6-179.3000113.4H278 V337 E339 D343 Q344 K635 L636H278-L341 HydrophobicContact CB-CD2 4.16Å; V337-L341 HydrophobicContact CG1-CD1 3.82Å; V337-L341 HydrophobicContact CG1-CG 4.4Å; V337-L341 WeakPolarHBondContact O-CB 3.41Å; V337-L341 PolarHBondContact O-N 2.96Å; E339-L341 VanDerWaalsContact C-N 3.34Å; E339-L341 PolarHBondContact O-N 3.38Å; L341-D343 PolarHBondContact O-N 3.48Å; L341-Q344 HydrophobicContact CB-CB 4.2Å; L341-Q344 VanDerWaalsContact O-CB 3.32Å; L341-Q344 WeakPolarHBondContact O-CB 3.45Å; L341-Q344 PolarHBondContact O-N 2.69Å; L341-K635 HydrophobicContact CB-CB 3.85Å; L341-K635 HydrophobicContact CB-CD 4.5Å; L341-K635 HydrophobicContact CB-CG 4.21Å; L341-K635 HydrophobicContact CD1-CB 3.97Å; L341-K635 VanDerWaalsContact O-CD 3.27Å; L341-K635 WeakPolarHBondContact O-CD 3.49Å; L341-K635 WeakPolarHBondContact O-CE 3.39Å; L341-L636 HydrophobicContact CD1-CD2 3.87Å; L341-L636 HydrophobicContact CD1-CG 4.4Å
342K92.3Very high95.7Very high109 Ų10942.3 Ų42.347%0.47421%0.213SC..THydrogen-bonded Turntrans-56.7-37.8-175.667.8-172.8174.3-170.60113.7L338 E339 K635L338-K342 WeakPolarHBondContact O-CA 3.38Å; L338-K342 WeakPolarHBondContact O-CB 3.49Å; L338-K342 PolarHBondContact O-N 2.71Å; E339-K342 WeakPolarHBondContact O-CD 3.2Å; E339-K342 WeakPolarHBondContact O-CG 3.45Å; E339-K342 PolarHBondContact O-N 2.97Å; E339-K342 WeakPolarHBondContact OE1-CD 3.44Å; E339-K342 IonicContact OE1-NZ 2.82Å; E339-K342 PolarHBondContact OE1-NZ 3.26Å; K342-K635 PolarHBondContact O-NZ 3.28Å
343D88.5Confident95.6Very high147 Ų14742.3 Ų42.379%0.78621%0.213SC*.THydrogen-bonded Turntrans-85.2-8.7-178.3-58.1-49.1000113.1L341L341-D343 PolarHBondContact O-N 3.48Å
344Q91.9Very high95.5Very high49 Ų4942.3 Ų42.323%0.22921%0.213CC..SBendtrans-73.4129.5175.6177.955.741.700109.4H278 L341 K635H278-Q344 HydrophobicContact CB-CG 4Å; H278-Q344 VanDerWaalsContact CB-OE1 3.24Å; L341-Q344 HydrophobicContact CB-CB 4.2Å; L341-Q344 VanDerWaalsContact O-CB 3.32Å; L341-Q344 WeakPolarHBondContact O-CB 3.45Å; L341-Q344 PolarHBondContact O-N 2.69Å; Q344-K635 HydrophobicContact CB-CD 4.41Å; Q344-K635 VanDerWaalsContact O-CD 3.29Å; Q344-K635 WeakPolarHBondContact O-CD 3.44Å; Q344-K635 WeakPolarHBondContact O-CE 3.43Å; Q344-K635 PolarHBondContact O-NZ 3.31Å
345A94.8Very high95.5Very high43 Ų4337.2 Ų37.236%0.35519%0.194SC..PPolyproline II helixtrans-64.6139.6175.100000111.3E639A345-E639 HydrophobicContact CB-CB 4.09Å; A345-E639 HydrophobicContact CB-CG 4.35Å; A345-E639 PolarHBondContact O-N 2.7Å
346D96.9Very high95.5Very high60 Ų6035.3 Ų35.332%0.32118%0.184SC..PPolyproline II helixtrans-67.4143.5177.4-70.15.5000110.7L634 K635D346-L634 HydrophobicContact CB-CB 4.12Å; D346-K635 WeakPolarHBondContact OD1-CD 3.47Å; D346-K635 WeakPolarHBondContact OD1-CE 3.49Å; D346-K635 IonicContact OD1-NZ 2.73Å; D346-K635 PolarHBondContact OD1-NZ 3.46Å
347G97.1Very high95.5Very high8 Ų833.1 Ų33.18%0.08217%0.169CC..  trans-70-172.4169.700000114.3L634 G638G347-L634 PolarHBondContact N-O 3.03Å; G347-L634 WeakPolarHBondContact O-CD2 3.33Å; G347-G638 WeakPolarHBondContact CA-O 3.02Å; G347-G638 PolarHBondContact N-O 3.11Å
348K98.1Very high95.3Very high59 Ų5933.6 Ų33.626%0.25717%0.171SC..EExtended strand (participates in β ladder)trans-80135.4175.3-51.7-53176.3-160.90110.5G641 F642 V643 N671 A784K348-G641 PolarHBondContact N-O 3.31Å; K348-F642 HydrophobicContact CB-CD1 3.74Å; K348-F642 HydrophobicContact CB-CE1 3.69Å; K348-F642 HydrophobicContact CB-CG 4.19Å; K348-F642 HydrophobicContact CB-CZ 4.09Å; K348-F642 HydrophobicContact CG-CD1 4.43Å; K348-F642 HydrophobicContact CG-CE1 4Å; K348-F642 HydrophobicContact CG-CE2 4.25Å; K348-F642 HydrophobicContact CG-CZ 3.88Å; K348-F642 CarbonylContact O-C 3.59Å; K348-F642 WeakPolarHBondContact O-CA 3.45Å; K348-V643 PolarHBondContact O-N 3.26Å; K348-N671 WeakPolarHBondContact CA-OD1 3.46Å; K348-A784 HydrophobicContact CG-CB 4.47Å
349Y98.2Very high94.8Very high4 Ų435.6 Ų35.62%0.01619%0.186CC..EExtended strand (participates in β ladder)trans-107.3120.8-177.5-170-147.4000110.7D630 L634 V643 T645 F658 L668 P670 N671Y349-D630 HydrophobicContact CE2-CB 4.04Å; Y349-D630 VanDerWaalsContact OH-CG 3.24Å; Y349-D630 PolarHBondContact OH-OD2 2.9Å; Y349-L634 HydrophobicContact CD2-CD1 4.42Å; Y349-L634 HydrophobicContact CD2-CD2 4.41Å; Y349-L634 HydrophobicContact CG-CD1 4.38Å; Y349-L634 HydrophobicContact CG-CD2 4.45Å; Y349-V643 HydrophobicContact CD2-CB 4.21Å; Y349-V643 HydrophobicContact CD2-CG1 4.16Å; Y349-V643 HydrophobicContact CE2-CG1 4.26Å; Y349-T645 HydrophobicContact CD2-CG2 4.35Å; Y349-T645 HydrophobicContact CE2-CG2 3.45Å; Y349-T645 VanDerWaalsContact CE2-CG2 3.45Å; Y349-F658 HydrophobicContact CD1-CZ 4.48Å; Y349-F658 HydrophobicContact CE1-CE1 4.19Å; Y349-F658 HydrophobicContact CE1-CE2 4.42Å; Y349-F658 AromaticContact CE1-CZ 3.47Å; Y349-F658 HydrophobicContact CE1-CZ 3.47Å; Y349-F658 VanDerWaalsContact CE1-CZ 3.47Å; Y349-F658 AromaticContact CZ-CZ 3.52Å; Y349-F658 WeakPolarHBondContact OH-CE2 3.41Å; Y349-F658 WeakPolarHBondContact OH-CZ 3.3Å; Y349-L668 HydrophobicContact CD1-CB 4.09Å; Y349-L668 HydrophobicContact CE1-CB 3.82Å; Y349-L668 HydrophobicContact CE1-CD1 4.2Å; Y349-P670 HydrophobicContact CD1-CB 4.13Å; Y349-P670 CarbonylContact O-C 3.53Å; Y349-P670 VanDerWaalsContact O-CA 3.29Å; Y349-P670 WeakPolarHBondContact O-CA 3.25Å; Y349-P670 WeakPolarHBondContact O-CB 3.35Å; Y349-N671 PolarHBondContact N-OD1 3.06Å; Y349-N671 PolarHBondContact O-N 2.91Å
350V98.7Very high94.5Very high0 Ų031 Ų310%017%0.165CC..EExtended strand (participates in β ladder)trans-117.2126.7-175.2-177.90000109.2L371 F642 V643 V644 T645 V672 V674 V780V350-L371 HydrophobicContact CG1-CD2 4.28Å; V350-F642 HydrophobicContact CG2-CD1 3.81Å; V350-F642 HydrophobicContact CG2-CE1 4.44Å; V350-V643 PolarHBondContact N-O 3.45Å; V350-V644 HydrophobicContact CB-CG2 4.43Å; V350-V644 HydrophobicContact CG1-CG1 4.41Å; V350-T645 PolarHBondContact O-N 2.86Å; V350-V672 WeakPolarHBondContact CA-O 2.83Å; V350-V674 HydrophobicContact CG1-CG2 3.89Å; V350-V780 HydrophobicContact CG1-CG1 4.16Å; V350-V780 HydrophobicContact CG2-CG1 3.79Å
351L98.7Very high94Very high0 Ų030.3 Ų30.30%017%0.172CC..EExtended strand (participates in β ladder)trans-102.8123.1176.1175.263.3000110.7T645 A647 M655 F658 F659 P670 V672 V673 V674L351-T645 HydrophobicContact CD1-CG2 4.01Å; L351-A647 HydrophobicContact CD1-CB 4.06Å; L351-M655 HydrophobicContact CD2-CB 4.26Å; L351-M655 HydrophobicContact CD2-CG 3.69Å; L351-F658 HydrophobicContact CB-CZ 4.48Å; L351-F658 HydrophobicContact CD1-CD1 4.33Å; L351-F658 HydrophobicContact CD1-CD2 3.69Å; L351-F658 HydrophobicContact CD1-CE1 4.38Å; L351-F658 HydrophobicContact CD1-CE2 3.74Å; L351-F658 HydrophobicContact CD1-CG 3.99Å; L351-F658 HydrophobicContact CD1-CZ 4.06Å; L351-F658 HydrophobicContact CD2-CB 4.19Å; L351-F658 HydrophobicContact CD2-CD1 3.55Å; L351-F658 HydrophobicContact CD2-CD2 4.35Å; L351-F658 HydrophobicContact CD2-CE1 3.9Å; L351-F658 HydrophobicContact CD2-CG 3.78Å; L351-F658 HydrophobicContact CD2-CZ 4.4Å; L351-F658 HydrophobicContact CG-CD1 4.47Å; L351-F659 HydrophobicContact CD2-CE1 3.82Å; L351-F659 HydrophobicContact CD2-CZ 4.03Å; L351-P670 HydrophobicContact CB-CB 4.31Å; L351-P670 HydrophobicContact CB-CG 4.5Å; L351-V672 PolarHBondContact N-O 3.5Å; L351-V673 HydrophobicContact CB-CG2 4.46Å; L351-V673 HydrophobicContact CD2-CG2 4.47Å; L351-V673 CarbonylContact O-C 3.56Å; L351-V673 VanDerWaalsContact O-CA 3.28Å; L351-V673 WeakPolarHBondContact O-CA 2.9Å; L351-V674 PolarHBondContact O-N 3.41Å
352V98.7Very high93.6Very high0 Ų030.5 Ų30.50%017%0.173CC..EExtended strand (participates in β ladder)trans-94.6123.3169.8-174.40000109.5T368 V644 T645 E646 A647 V674 V676V352-T368 WeakPolarHBondContact CB-OG1 3.4Å; V352-T368 HydrophobicContact CG2-CG2 4.49Å; V352-V644 HydrophobicContact CG2-CG1 3.52Å; V352-T645 PolarHBondContact N-O 3.2Å; V352-E646 HydrophobicContact CB-CB 4.24Å; V352-E646 VanDerWaalsContact O-CA 3.27Å; V352-E646 WeakPolarHBondContact O-CA 3.42Å; V352-A647 PolarHBondContact O-N 3.36Å; V352-V674 WeakPolarHBondContact CA-O 3.16Å; V352-V674 HydrophobicContact CG2-CB 4.18Å; V352-V676 HydrophobicContact CG1-CG2 3.72Å
353A97.3Very high93.6Very high1 Ų126.4 Ų26.41%0.00816%0.162CC..EExtended strand (participates in β ladder)trans-129.9-176.1171.300000109.1A651 M655 V674 L675 V676A353-A651 HydrophobicContact CB-CB 4.43Å; A353-M655 HydrophobicContact CB-CB 4.01Å; A353-V674 PolarHBondContact N-O 2.82Å; A353-L675 HydrophobicContact CB-CD2 3.98Å; A353-V676 WeakPolarHBondContact O-CG2 3.33Å; A353-V676 PolarHBondContact O-N 2.89Å
354G96.3Very high93.8Very high0 Ų020.6 Ų20.60%013%0.13CC..EExtended strand (participates in β ladder)trans-140.1176179.600000112.7G650 A651 V676G354-G650 CarbonylContact O-C 3.54Å; G354-G650 WeakPolarHBondContact O-CA 3.3Å; G354-A651 PolarHBondContact O-N 2.93Å; G354-V676 CarbonylContact C-O 3.58Å; G354-V676 VanDerWaalsContact CA-O 3.31Å; G354-V676 WeakPolarHBondContact CA-O 3.47Å
355I97.9Very high94Very high0 Ų019.7 Ų19.70%013%0.129CC..SBendtrans-64.6173.8163.663.3171.4000111P357 E362 G650 V676 A677 A681 L682 L716 Q719I355-P357 VanDerWaalsContact O-CD 3.23Å; I355-P357 WeakPolarHBondContact O-CD 3.32Å; I355-E362 HydrophobicContact CD1-CG 4.48Å; I355-E362 HydrophobicContact CG1-CG 3.95Å; I355-G650 WeakPolarHBondContact O-CA 3.36Å; I355-V676 PolarHBondContact N-O 2.57Å; I355-A677 HydrophobicContact CD1-CB 4.17Å; I355-A677 HydrophobicContact CG1-CB 4.49Å; I355-A677 HydrophobicContact CG2-CB 3.93Å; I355-A681 HydrophobicContact CD1-CB 3.8Å; I355-L682 HydrophobicContact CD1-CD2 3.94Å; I355-L682 HydrophobicContact CD1-CG 4.36Å; I355-L716 HydrophobicContact CG2-CB 4.19Å; I355-L716 HydrophobicContact CG2-CD1 3.72Å; I355-Q719 HydrophobicContact CB-CG 4.5Å; I355-Q719 HydrophobicContact CG2-CG 4.49Å
356T97Very high94.1Very high0 Ų018.3 Ų18.30%012%0.116CC..SBendtrans-56.8123.3174.6-57.40000109.2H685 N715 Q719 H846T356-H685 PolarHBondContact O-NE2 3.19Å; T356-H685 VanDerWaalsContact O-NE2 3.08Å; T356-N715 PolarHBondContact N-OD1 3.27Å; T356-N715 PolarHBondContact OG1-ND2 2.97Å; T356-Q719 PolarHBondContact OG1-NE2 3.39Å; T356-H846 WeakPolarHBondContact CG2-O 3.38Å
357P94.1Very high94.1Very high11 Ų1115.5 Ų15.57%0.07110%0.101CC..PPolyproline II helixtrans-56.7144.8-176.7-28.229.8000115I355 E362 F649 H846I355-P357 VanDerWaalsContact O-CD 3.23Å; I355-P357 WeakPolarHBondContact O-CD 3.32Å; P357-E362 WeakPolarHBondContact CA-OE1 3.34Å; P357-F649 HydrophobicContact CG-CB 4.08Å; P357-F649 HydrophobicContact CG-CD1 4.23Å; P357-H846 VanDerWaalsContact CD-O 3.23Å; P357-H846 WeakPolarHBondContact CD-O 3.46Å
358T91.9Very high94.2Very high9 Ų915.1 Ų15.16%0.05510%0.097CC..  trans-122.6157.6172.365.40000110.4L360 G361 E362 A681 M684T358-L360 PolarHBondContact O-N 3.38Å; T358-G361 PolarHBondContact O-N 3.02Å; T358-G361 VanDerWaalsContact O-N 3.15Å; T358-E362 PolarHBondContact N-OE1 3.38Å; T358-E362 PolarHBondContact OG1-OE1 2.95Å; T358-A681 HydrophobicContact CG2-CB 3.9Å; T358-A681 WeakPolarHBondContact OG1-CB 3.27Å; T358-M684 HydrophobicContact CG2-CB 4.33Å; T358-M684 HydrophobicContact CG2-SD 3.89Å
359P85.6Confident94.2Very high77 Ų7712.3 Ų12.350%0.58%0.084SC..THydrogen-bonded Turntrans-60.1-12.9173.4-24.635.4000114.8G361 M684 V691P359-G361 VanDerWaalsContact C-N 3.33Å; P359-M684 HydrophobicContact CG-CE 4.36Å; P359-V691 HydrophobicContact CB-CB 4.45Å; P359-V691 HydrophobicContact CB-CG1 4.44Å
360L83.8Confident94.2Very high24 Ų2412.1 Ų12.113%0.1268%0.084CC..THydrogen-bonded Turntrans-78.7-18.7179.3-67.3161.2000112.8T358 R680 M684 V691 L697 Y701T358-L360 PolarHBondContact O-N 3.38Å; L360-R680 HydrophobicContact CD1-CB 4.09Å; L360-R680 WeakPolarHBondContact CD1-O 3.48Å; L360-M684 HydrophobicContact CD1-CB 4.21Å; L360-V691 HydrophobicContact CD1-CG2 4.27Å; L360-V691 HydrophobicContact CD2-CG1 4.1Å; L360-V691 HydrophobicContact CD2-CG2 4.01Å; L360-V691 HydrophobicContact CG-CG2 4.12Å; L360-L697 HydrophobicContact CD2-CD1 4.25Å; L360-L697 HydrophobicContact CD2-CD2 3.46Å; L360-L697 VanDerWaalsContact CD2-CD2 3.46Å; L360-Y701 HydrophobicContact CD1-CD1 3.81Å; L360-Y701 HydrophobicContact CD1-CE1 3.68Å; L360-Y701 HydrophobicContact CD1-CG 4.4Å
361G81.5Confident94.2Very high30 Ų3012.1 Ų12.131%0.3098%0.084SC..  trans77.4135.8-179.900000113.8T358 P359T358-G361 PolarHBondContact O-N 3.02Å; T358-G361 VanDerWaalsContact O-N 3.15Å; P359-G361 VanDerWaalsContact C-N 3.33Å
362E87.4Confident94.2Very high9 Ų912.1 Ų12.14%0.0428%0.084CC..  trans-95.9-23.9179.2-58.671.6-135.400112.8I355 P357 T358 K364 V676 T678 A681 N735I355-E362 HydrophobicContact CD1-CG 4.48Å; I355-E362 HydrophobicContact CG1-CG 3.95Å; P357-E362 WeakPolarHBondContact CA-OE1 3.34Å; T358-E362 PolarHBondContact N-OE1 3.38Å; T358-E362 PolarHBondContact OG1-OE1 2.95Å; E362-K364 IonicContact OE2-NZ 2.7Å; E362-V676 HydrophobicContact CB-CG1 4.23Å; E362-V676 WeakPolarHBondContact O-CG1 3.49Å; E362-T678 HydrophobicContact CB-CG2 4.47Å; E362-T678 WeakPolarHBondContact O-CG2 3.47Å; E362-A681 HydrophobicContact CG-CB 4.44Å; E362-N735 PolarHBondContact O-ND2 3.24Å
363G90.4Very high94.2Very high23 Ų2312.1 Ų12.124%0.2378%0.084CC..  trans74.538.7-177.100000114S365 T366 V367G363-S365 PolarHBondContact O-N 2.9Å; G363-T366 VanDerWaalsContact O-CB 3.31Å; G363-T366 WeakPolarHBondContact O-CB 3.11Å; G363-T366 PolarHBondContact O-N 3.37Å; G363-V367 PolarHBondContact O-N 3.01Å
364K94.5Very high94.3Very high26 Ų2612 Ų1211%0.1138%0.083CC..Hα-helixtrans-53.1-54.7179.1-76.3-172.1-64.2-740113E362 T366 V367 T368 F649 V676E362-K364 IonicContact OE2-NZ 2.7Å; K364-T366 PolarHBondContact O-N 3.45Å; K364-V367 WeakPolarHBondContact O-CB 3.43Å; K364-V367 PolarHBondContact O-N 3.25Å; K364-V367 VanDerWaalsContact O-N 3.09Å; K364-T368 PolarHBondContact O-N 3.29Å; K364-T368 PolarHBondContact O-OG1 2.76Å; K364-T368 VanDerWaalsContact O-OG1 3.12Å; K364-F649 WeakPolarHBondContact CD-O 3.27Å; K364-F649 WeakPolarHBondContact CE-O 3.24Å; K364-F649 PolarHBondContact NZ-O 3.5Å; K364-V676 HydrophobicContact CG-CB 4.09Å; K364-V676 HydrophobicContact CG-CG2 4.29Å
365S95.3Very high94.4Very high30 Ų3012 Ų1221%0.218%0.083CC..Hα-helixtrans-65.4-31-179.2-50.20000112G363 T368 I369 E646G363-S365 PolarHBondContact O-N 2.9Å; S365-T368 WeakPolarHBondContact O-CB 3.48Å; S365-T368 PolarHBondContact O-N 3.5Å; S365-I369 WeakPolarHBondContact O-CG1 3.37Å; S365-I369 PolarHBondContact O-N 3.23Å; S365-E646 VanDerWaalsContact CA-OE2 3.24Å; S365-E646 WeakPolarHBondContact CA-OE2 3.48Å; S365-E646 VanDerWaalsContact CB-OE2 3.32Å; S365-E646 WeakPolarHBondContact CB-OE2 3.38Å; S365-E646 PolarHBondContact OG-OE1 3.35Å; S365-E646 PolarHBondContact OG-OE2 3.45Å
366T96.3Very high94.3Very high14 Ų1412.4 Ų12.49%0.0869%0.085CC..Hα-helixtrans-62.9-43.3173-40.30000110.7G363 K364 I369 G370 G404 G405 A408 H765 W766G363-T366 VanDerWaalsContact O-CB 3.31Å; G363-T366 WeakPolarHBondContact O-CB 3.11Å; G363-T366 PolarHBondContact O-N 3.37Å; K364-T366 PolarHBondContact O-N 3.45Å; T366-I369 PolarHBondContact O-N 3.48Å; T366-G370 PolarHBondContact O-N 3.01Å; T366-G404 PolarHBondContact OG1-O 3.15Å; T366-G405 WeakPolarHBondContact CG2-O 3.3Å; T366-A408 HydrophobicContact CG2-CB 4.14Å; T366-H765 VanDerWaalsContact C-CD2 3.46Å; T366-H765 VanDerWaalsContact C-NE2 3.32Å; T366-H765 PolarHBondContact O-CD2 3.26Å; T366-H765 PolarHBondContact O-NE2 2.86Å; T366-W766 HydrophobicContact CG2-CB 4.19Å
367V97.9Very high94.3Very high0 Ų013.9 Ų13.90%010%0.098CC..Hα-helixtrans-66.1-43.4173.7173.90000111.7G363 K364 I369 G370 L371 V674 V676 A733 N735 H765 L776G363-V367 PolarHBondContact O-N 3.01Å; K364-V367 WeakPolarHBondContact O-CB 3.43Å; K364-V367 PolarHBondContact O-N 3.25Å; K364-V367 VanDerWaalsContact O-N 3.09Å; V367-I369 VanDerWaalsContact C-N 3.28Å; V367-I369 PolarHBondContact O-N 3.11Å; V367-G370 PolarHBondContact O-N 2.99Å; V367-L371 VanDerWaalsContact O-CB 3.23Å; V367-L371 WeakPolarHBondContact O-CB 3.37Å; V367-L371 PolarHBondContact O-N 3.46Å; V367-V674 HydrophobicContact CG1-CG1 4.17Å; V367-V676 HydrophobicContact CB-CG2 3.77Å; V367-V676 HydrophobicContact CG1-CG2 3.83Å; V367-V676 HydrophobicContact CG2-CB 4.46Å; V367-V676 HydrophobicContact CG2-CG1 3.78Å; V367-V676 HydrophobicContact CG2-CG2 3.79Å; V367-A733 HydrophobicContact CG1-CB 3.79Å; V367-A733 HydrophobicContact CG2-CB 4.48Å; V367-N735 HydrophobicContact CG2-CB 4.16Å; V367-H765 WeakPolarHBondContact CA-NE2 3.49Å; V367-H765 VanDerWaalsContact CG2-CE1 3.49Å; V367-H765 WeakPolarHBondContact CG2-CE1 3.4Å; V367-H765 PolarHBondContact N-NE2 2.87Å; V367-L776 HydrophobicContact CG1-CD2 3.79Å
368T98.3Very high94.5Very high0 Ų016.9 Ų16.90%011%0.11CC..Hα-helixtrans-53.1-49.2176-57.80000110.8V352 K364 S365 V372 A385 L387 V644 E646V352-T368 WeakPolarHBondContact CB-OG1 3.4Å; V352-T368 HydrophobicContact CG2-CG2 4.49Å; K364-T368 PolarHBondContact O-N 3.29Å; K364-T368 PolarHBondContact O-OG1 2.76Å; K364-T368 VanDerWaalsContact O-OG1 3.12Å; S365-T368 WeakPolarHBondContact O-CB 3.48Å; S365-T368 PolarHBondContact O-N 3.5Å; T368-V372 PolarHBondContact O-N 2.98Å; T368-V372 VanDerWaalsContact O-N 3.09Å; T368-A385 HydrophobicContact CG2-CB 4.45Å; T368-L387 HydrophobicContact CG2-CD2 3.79Å; T368-V644 HydrophobicContact CG2-CB 4.47Å; T368-V644 HydrophobicContact CG2-CG1 3.88Å; T368-E646 PolarHBondContact OG1-OE2 3.24Å
369I98.4Very high94.7Very high0 Ų018.1 Ų18.10%012%0.117CC..Hα-helixtrans-73.2-40.5-178.8-63.6-63.9000111.7S365 T366 V367 L371 V372 Q373 A385 L387 A408 V410 T604 V610S365-I369 WeakPolarHBondContact O-CG1 3.37Å; S365-I369 PolarHBondContact O-N 3.23Å; T366-I369 PolarHBondContact O-N 3.48Å; V367-I369 VanDerWaalsContact C-N 3.28Å; V367-I369 PolarHBondContact O-N 3.11Å; I369-L371 VanDerWaalsContact C-N 3.31Å; I369-L371 PolarHBondContact O-N 3.3Å; I369-V372 WeakPolarHBondContact O-CG1 3.39Å; I369-V372 PolarHBondContact O-N 2.71Å; I369-Q373 HydrophobicContact CG2-CG 4.4Å; I369-Q373 VanDerWaalsContact O-CB 3.29Å; I369-Q373 WeakPolarHBondContact O-CB 3.28Å; I369-Q373 WeakPolarHBondContact O-CG 3.15Å; I369-Q373 PolarHBondContact O-N 3.16Å; I369-A385 HydrophobicContact CD1-CB 4Å; I369-L387 HydrophobicContact CD1-CD1 3.98Å; I369-L387 HydrophobicContact CG1-CD1 4.32Å; I369-A408 HydrophobicContact CB-CB 4.46Å; I369-A408 HydrophobicContact CG2-CB 4.21Å; I369-V410 HydrophobicContact CD1-CG2 3.7Å; I369-V410 HydrophobicContact CG1-CG2 4.31Å; I369-T604 HydrophobicContact CD1-CG2 4.13Å; I369-T604 HydrophobicContact CG2-CG2 3.8Å; I369-V610 HydrophobicContact CD1-CG2 4.23Å
370G98.4Very high95.2Very high0 Ų020.8 Ų20.80%013%0.127CC..Hα-helixtrans-59.4-41.8174.200000112.5T366 V367 A374 S773T366-G370 PolarHBondContact O-N 3.01Å; V367-G370 PolarHBondContact O-N 2.99Å; G370-A374 VanDerWaalsContact O-CB 3.29Å; G370-A374 WeakPolarHBondContact O-CB 3.46Å; G370-A374 PolarHBondContact O-N 3.01Å; G370-S773 WeakPolarHBondContact O-CB 3.41Å
371L98.8Very high95.8Very high0 Ų020.6 Ų20.60%013%0.127CC..Hα-helixtrans-65.5-48.1177.1175.756.7000112V350 V367 I369 Q373 A374 L375 V644 V674 L776 A777 V780V350-L371 HydrophobicContact CG1-CD2 4.28Å; V367-L371 VanDerWaalsContact O-CB 3.23Å; V367-L371 WeakPolarHBondContact O-CB 3.37Å; V367-L371 PolarHBondContact O-N 3.46Å; I369-L371 VanDerWaalsContact C-N 3.31Å; I369-L371 PolarHBondContact O-N 3.3Å; L371-Q373 VanDerWaalsContact C-N 3.31Å; L371-Q373 PolarHBondContact O-N 3.44Å; L371-A374 WeakPolarHBondContact O-CB 3.5Å; L371-A374 PolarHBondContact O-N 3.23Å; L371-L375 HydrophobicContact CD1-CD1 3.98Å; L371-L375 HydrophobicContact CD1-CG 4.15Å; L371-L375 HydrophobicContact CG-CD1 4.07Å; L371-L375 WeakPolarHBondContact O-CG 3.28Å; L371-L375 PolarHBondContact O-N 3.23Å; L371-V644 HydrophobicContact CD2-CG1 3.89Å; L371-V644 HydrophobicContact CD2-CG2 4.15Å; L371-V644 HydrophobicContact CG-CG1 4.48Å; L371-V644 HydrophobicContact CG-CG2 4.19Å; L371-V674 HydrophobicContact CD2-CG2 4.03Å; L371-L776 HydrophobicContact CB-CD2 4.25Å; L371-L776 HydrophobicContact CD1-CD2 4.31Å; L371-L776 HydrophobicContact CD1-CG 4.15Å; L371-A777 HydrophobicContact CD1-CB 3.85Å; L371-V780 HydrophobicContact CD1-CB 4.47Å; L371-V780 HydrophobicContact CD1-CG2 4.24Å; L371-V780 HydrophobicContact CD2-CG2 4.15Å
372V98.4Very high96.5Very high0 Ų020.7 Ų20.70%012%0.12CC..Hα-helixtrans-65.4-38.1-179.582.10000111.5T368 I369 L375 T376 F384 A385 T604 T608 V644T368-V372 PolarHBondContact O-N 2.98Å; T368-V372 VanDerWaalsContact O-N 3.09Å; I369-V372 WeakPolarHBondContact O-CG1 3.39Å; I369-V372 PolarHBondContact O-N 2.71Å; V372-L375 PolarHBondContact O-N 3.18Å; V372-T376 VanDerWaalsContact O-CB 3.31Å; V372-T376 WeakPolarHBondContact O-CB 3.43Å; V372-T376 PolarHBondContact O-N 3.14Å; V372-T376 PolarHBondContact O-OG1 2.5Å; V372-F384 VanDerWaalsContact CG2-C 3.45Å; V372-A385 HydrophobicContact CB-CB 4.17Å; V372-A385 HydrophobicContact CG1-CB 3.87Å; V372-A385 HydrophobicContact CG2-CB 4.23Å; V372-T604 HydrophobicContact CG1-CG2 4.07Å; V372-T608 HydrophobicContact CB-CG2 4.22Å; V372-T608 HydrophobicContact CG1-CG2 3.78Å; V372-T608 HydrophobicContact CG2-CG2 3.6Å; V372-V644 HydrophobicContact CB-CG2 4.39Å; V372-V644 HydrophobicContact CG2-CG2 4.45Å
373Q98.6Very high97Very high0 Ų020.3 Ų20.30%012%0.118CC..Hα-helixtrans-63.4-43.5174-81.6-175.8-115.500111.5I369 L371 T376 A377 T604 E606I369-Q373 HydrophobicContact CG2-CG 4.4Å; I369-Q373 VanDerWaalsContact O-CB 3.29Å; I369-Q373 WeakPolarHBondContact O-CB 3.28Å; I369-Q373 WeakPolarHBondContact O-CG 3.15Å; I369-Q373 PolarHBondContact O-N 3.16Å; L371-Q373 VanDerWaalsContact C-N 3.31Å; L371-Q373 PolarHBondContact O-N 3.44Å; Q373-T376 PolarHBondContact O-N 3.02Å; Q373-A377 WeakPolarHBondContact O-CB 3.48Å; Q373-A377 PolarHBondContact O-N 3.05Å; Q373-T604 HydrophobicContact CG-CG2 4.02Å; Q373-T604 WeakPolarHBondContact CG-OG1 3.43Å; Q373-E606 WeakPolarHBondContact CB-OE2 3.5Å; Q373-E606 HydrophobicContact CG-CB 4.28Å; Q373-E606 VanDerWaalsContact NE2-CD 3.34Å; Q373-E606 VanDerWaalsContact NE2-CG 3.31Å; Q373-E606 PolarHBondContact NE2-OE2 3.3Å
374A98.7Very high97.4Very high0 Ų019.2 Ų19.20%011%0.107CC..Iπ-helixtrans-60.7-47.7176.100000112.2G370 L371 T376 H378 L379 G770 S773 V774 A777G370-A374 VanDerWaalsContact O-CB 3.29Å; G370-A374 WeakPolarHBondContact O-CB 3.46Å; G370-A374 PolarHBondContact O-N 3.01Å; L371-A374 WeakPolarHBondContact O-CB 3.5Å; L371-A374 PolarHBondContact O-N 3.23Å; A374-T376 VanDerWaalsContact C-N 3.34Å; A374-T376 PolarHBondContact O-N 2.84Å; A374-H378 CarbonylContact O-C 3.59Å; A374-H378 WeakPolarHBondContact O-CB 3.16Å; A374-H378 PolarHBondContact O-N 3.45Å; A374-L379 PolarHBondContact O-N 2.82Å; A374-G770 VanDerWaalsContact CB-O 3.23Å; A374-G770 WeakPolarHBondContact CB-O 3.44Å; A374-S773 VanDerWaalsContact CB-C 3.5Å; A374-S773 WeakPolarHBondContact CB-O 3.39Å; A374-V774 HydrophobicContact CB-CG2 4.47Å; A374-A777 HydrophobicContact CB-CB 3.78Å
375L98.4Very high97.6Very high0 Ų018 Ų180%010%0.101CC..Iπ-helixtrans-61.2-44.2178-70.6163000111.5L371 V372 L379 N380 V381 S383 F642 V644 A777 R781L371-L375 HydrophobicContact CD1-CD1 3.98Å; L371-L375 HydrophobicContact CD1-CG 4.15Å; L371-L375 HydrophobicContact CG-CD1 4.07Å; L371-L375 WeakPolarHBondContact O-CG 3.28Å; L371-L375 PolarHBondContact O-N 3.23Å; V372-L375 PolarHBondContact O-N 3.18Å; L375-L379 HydrophobicContact CD2-CD1 4.45Å; L375-L379 CarbonylContact O-C 3.46Å; L375-L379 WeakPolarHBondContact O-CB 3.3Å; L375-L379 PolarHBondContact O-N 3.32Å; L375-N380 PolarHBondContact O-N 3.32Å; L375-N380 VanDerWaalsContact O-N 3.16Å; L375-V381 PolarHBondContact O-N 2.9Å; L375-S383 WeakPolarHBondContact CB-OG 3.37Å; L375-F642 HydrophobicContact CD1-CB 3.94Å; L375-F642 HydrophobicContact CD1-CG 4.25Å; L375-V644 HydrophobicContact CD1-CG2 4.11Å; L375-A777 HydrophobicContact CD2-CB 3.82Å; L375-A777 HydrophobicContact CG-CB 3.89Å; L375-R781 HydrophobicContact CD2-CG 3.88Å
376T97.3Very high97.7Very high7 Ų716.5 Ų16.54%0.0439%0.091CC..Iπ-helixtrans-80.6-63-173.6-52.10000112.3L283 V372 Q373 A374 N380 V381 S383 T608L283-T376 HydrophobicContact CD2-CG2 3.25Å; V372-T376 VanDerWaalsContact O-CB 3.31Å; V372-T376 WeakPolarHBondContact O-CB 3.43Å; V372-T376 PolarHBondContact O-N 3.14Å; V372-T376 PolarHBondContact O-OG1 2.5Å; Q373-T376 PolarHBondContact O-N 3.02Å; A374-T376 VanDerWaalsContact C-N 3.34Å; A374-T376 PolarHBondContact O-N 2.84Å; T376-N380 VanDerWaalsContact O-CA 3.3Å; T376-N380 WeakPolarHBondContact O-CA 3.27Å; T376-N380 PolarHBondContact O-N 3.05Å; T376-V381 WeakPolarHBondContact CA-O 3.14Å; T376-S383 WeakPolarHBondContact OG1-CB 3.35Å; T376-T608 HydrophobicContact CG2-CG2 4Å; T376-T608 WeakPolarHBondContact OG1-CG2 3.07Å
377A96.9Very high97.8Very high31 Ų3116 Ų1626%0.2569%0.088SC..Iπ-helixtrans-78.1-23.9-170.600000113.8C285 Q373 E606C285-A377 HydrophobicContact CB-CB 3.92Å; C285-A377 VanDerWaalsContact SG-CA 3.59Å; Q373-A377 WeakPolarHBondContact O-CB 3.48Å; Q373-A377 PolarHBondContact O-N 3.05Å; A377-E606 HydrophobicContact CB-CB 4.07Å
378H97.5Very high97.7Very high74 Ų7418.9 Ų18.934%0.34310%0.099SC..Iπ-helixtrans-114.3-27.1-173.3-59.4-87.4000113.6A374 E606 G770 K771 V774A374-H378 CarbonylContact O-C 3.59Å; A374-H378 WeakPolarHBondContact O-CB 3.16Å; A374-H378 PolarHBondContact O-N 3.45Å; H378-E606 IonicContact CD2-OE2 3.25Å; H378-E606 IonicContact CE1-OE1 2.67Å; H378-E606 IonicContact NE2-OE1 2.85Å; H378-E606 PolarHBondContact NE2-OE1 3.46Å; H378-E606 IonicContact NE2-OE2 2.68Å; H378-E606 PolarHBondContact NE2-OE2 3.04Å; H378-G770 VanDerWaalsContact CD2-C 3.44Å; H378-K771 PolarHBondContact NE2-N 3.32Å; H378-V774 HydrophobicContact CB-CG2 3.65Å
379L97.1Very high97.5Very high36 Ų3619.1 Ų19.119%0.18810%0.1CC..THydrogen-bonded Turntrans-108.8-4176-59.1-175.2000114A374 L375 V381 V774 A777 R778A374-L379 PolarHBondContact O-N 2.82Å; L375-L379 HydrophobicContact CD2-CD1 4.45Å; L375-L379 CarbonylContact O-C 3.46Å; L375-L379 WeakPolarHBondContact O-CB 3.3Å; L375-L379 PolarHBondContact O-N 3.32Å; L379-V381 VanDerWaalsContact C-N 3.26Å; L379-V381 HydrophobicContact CB-CG2 4.19Å; L379-V381 PolarHBondContact O-N 3.2Å; L379-V774 HydrophobicContact CD2-CG1 4.09Å; L379-A777 HydrophobicContact CD1-CB 3.61Å; L379-R778 HydrophobicContact CD1-CG 4.28Å
380N95.6Very high97.2Very high133 Ų13320.4 Ų20.471%0.71111%0.109SC*.  trans56.538.9177.4-149.810000113.3L375 T376L375-N380 PolarHBondContact O-N 3.32Å; L375-N380 VanDerWaalsContact O-N 3.16Å; T376-N380 VanDerWaalsContact O-CA 3.3Å; T376-N380 WeakPolarHBondContact O-CA 3.27Å; T376-N380 PolarHBondContact O-N 3.05Å
381V95.9Very high96.9Very high20 Ų2021.1 Ų21.112%0.12111%0.114CC..  trans-107.3127.6177179.80000108.9L375 T376 L379 S383 F642L375-V381 PolarHBondContact O-N 2.9Å; T376-V381 WeakPolarHBondContact CA-O 3.14Å; L379-V381 VanDerWaalsContact C-N 3.26Å; L379-V381 HydrophobicContact CB-CG2 4.19Å; L379-V381 PolarHBondContact O-N 3.2Å; V381-S383 PolarHBondContact O-N 3.39Å; V381-S383 PolarHBondContact O-OG 3.2Å; V381-F642 HydrophobicContact CG1-CD2 3.62Å; V381-F642 HydrophobicContact CG1-CE2 4.07Å
382N97.4Very high96.4Very high32 Ų3222.9 Ų22.917%0.17112%0.122CC..  trans-52.9114.7174.1-765000109.8W281 V637 G641 F642W281-N382 WeakPolarHBondContact CB-OD1 3.5Å; W281-N382 HydrophobicContact CD2-CB 4Å; W281-N382 VanDerWaalsContact CD2-CG 3.4Å; W281-N382 HydrophobicContact CE3-CB 3.91Å; W281-N382 VanDerWaalsContact CG-ND2 3.32Å; W281-N382 HydrophobicContact CH2-CB 4.43Å; W281-N382 HydrophobicContact CZ2-CB 4.48Å; W281-N382 HydrophobicContact CZ3-CB 4.14Å; N382-V637 HydrophobicContact CB-CB 4.19Å; N382-V637 WeakPolarHBondContact CB-O 3.06Å; N382-V637 PolarHBondContact ND2-O 3.06Å; N382-G641 CarbonylContact O-C 3.56Å; N382-G641 WeakPolarHBondContact O-CA 3.24Å; N382-F642 PolarHBondContact O-N 3.04Å
383S97.8Very high95.8Very high0 Ų023 Ų230%012%0.123CC..EExtended strand (participates in β ladder)trans-141.3151.4-179.9-42.10000112.7L375 T376 V381 P609 F642L375-S383 WeakPolarHBondContact CB-OG 3.37Å; T376-S383 WeakPolarHBondContact OG1-CB 3.35Å; V381-S383 PolarHBondContact O-N 3.39Å; V381-S383 PolarHBondContact O-OG 3.2Å; S383-P609 WeakPolarHBondContact O-CG 3.16Å; S383-F642 CarbonylContact C-O 3.51Å; S383-F642 WeakPolarHBondContact CA-O 3.25Å; S383-F642 WeakPolarHBondContact CB-O 3.37Å
384F97.9Very high95.2Very high0 Ų025.5 Ų25.50%014%0.139CC..EExtended strand (participates in β ladder)trans-132.3142.2-178.5-132-73.1000109.8W281 I316 V372 L601 P609 F611 A633 L636 V637 F642 V643 V644W281-F384 AromaticContact CH2-CD2 3.8Å; W281-F384 HydrophobicContact CH2-CD2 3.8Å; W281-F384 HydrophobicContact CH2-CE2 4.34Å; W281-F384 HydrophobicContact CZ2-CD2 4.31Å; I316-F384 HydrophobicContact CD1-CE2 3.82Å; I316-F384 HydrophobicContact CD1-CZ 4.11Å; V372-F384 VanDerWaalsContact CG2-C 3.45Å; F384-L601 HydrophobicContact CE1-CD1 4.25Å; F384-L601 HydrophobicContact CZ-CD1 3.75Å; F384-P609 HydrophobicContact CD1-CB 4.32Å; F384-P609 HydrophobicContact CD1-CG 4.5Å; F384-P609 HydrophobicContact CD2-CB 4.11Å; F384-P609 HydrophobicContact CD2-CG 3.79Å; F384-P609 HydrophobicContact CE1-CB 3.99Å; F384-P609 HydrophobicContact CE2-CB 3.76Å; F384-P609 HydrophobicContact CE2-CG 3.89Å; F384-P609 HydrophobicContact CG-CB 4.38Å; F384-P609 HydrophobicContact CG-CG 4.11Å; F384-P609 HydrophobicContact CZ-CB 3.7Å; F384-P609 HydrophobicContact CZ-CG 4.31Å; F384-F611 AromaticContact CD1-CD2 3.96Å; F384-F611 HydrophobicContact CD1-CD2 3.96Å; F384-F611 HydrophobicContact CD1-CE2 4.4Å; F384-F611 HydrophobicContact CD1-CG 4.31Å; F384-F611 HydrophobicContact CE1-CB 4.11Å; F384-F611 AromaticContact CE1-CD1 3.91Å; F384-F611 HydrophobicContact CE1-CD1 3.91Å; F384-F611 AromaticContact CE1-CD2 3.36Å; F384-F611 HydrophobicContact CE1-CD2 3.36Å; F384-F611 HydrophobicContact CE1-CE1 4.14Å; F384-F611 AromaticContact CE1-CE2 3.63Å; F384-F611 HydrophobicContact CE1-CE2 3.63Å; F384-F611 AromaticContact CE1-CG 3.5Å; F384-F611 HydrophobicContact CE1-CG 3.5Å; F384-F611 HydrophobicContact CE1-CZ 4.01Å; F384-F611 HydrophobicContact CE2-CE2 4.26Å; F384-F611 HydrophobicContact CE2-CZ 4.46Å; F384-F611 HydrophobicContact CZ-CD1 4.2Å; F384-F611 AromaticContact CZ-CD2 3.82Å; F384-F611 HydrophobicContact CZ-CD2 3.82Å; F384-F611 AromaticContact CZ-CE1 3.95Å; F384-F611 HydrophobicContact CZ-CE1 3.95Å; F384-F611 AromaticContact CZ-CE2 3.54Å; F384-F611 HydrophobicContact CZ-CE2 3.54Å; F384-F611 HydrophobicContact CZ-CG 4.13Å; F384-F611 AromaticContact CZ-CZ 3.61Å; F384-F611 HydrophobicContact CZ-CZ 3.61Å; F384-A633 HydrophobicContact CB-CB 3.83Å; F384-A633 HydrophobicContact CD1-CB 4.06Å; F384-A633 HydrophobicContact CD2-CB 4.1Å; F384-A633 HydrophobicContact CG-CB 3.75Å; F384-L636 HydrophobicContact CE2-CD1 3.95Å; F384-V637 HydrophobicContact CB-CG1 3.9Å; F384-V637 HydrophobicContact CD2-CG1 4.23Å; F384-F642 PolarHBondContact N-O 3.26Å; F384-V643 HydrophobicContact CB-CG2 4.23Å; F384-V643 WeakPolarHBondContact O-CA 3.42Å; F384-V644 PolarHBondContact O-N 3.43Å
385A98.5Very high94.7Very high0 Ų025.6 Ų25.60%014%0.14CC..EExtended strand (participates in β ladder)trans-104.3140.3166.500000111.2T368 I369 V372 P609 V610 F611 V644T368-A385 HydrophobicContact CG2-CB 4.45Å; I369-A385 HydrophobicContact CD1-CB 4Å; V372-A385 HydrophobicContact CB-CB 4.17Å; V372-A385 HydrophobicContact CG1-CB 3.87Å; V372-A385 HydrophobicContact CG2-CB 4.23Å; A385-P609 PolarHBondContact N-O 3.26Å; A385-V610 HydrophobicContact CB-CG1 4.11Å; A385-V610 HydrophobicContact CB-CG2 4.2Å; A385-V610 CarbonylContact O-C 3.59Å; A385-V610 VanDerWaalsContact O-CA 3.31Å; A385-V610 WeakPolarHBondContact O-CA 3.49Å; A385-F611 PolarHBondContact O-N 3.03Å; A385-V644 CarbonylContact C-O 3.59Å; A385-V644 VanDerWaalsContact CA-O 3.25Å; A385-V644 WeakPolarHBondContact CA-O 3.45Å
386C98.5Very high94.2Very high0 Ų028.5 Ų28.50%015%0.153CC..EExtended strand (participates in β ladder)trans-121.2108.8175.7-70.20000110F611 D630 V644 T645C386-F611 CarbonylContact C-O 3.56Å; C386-F611 WeakPolarHBondContact CA-O 3.24Å; C386-D630 WeakPolarHBondContact CB-OD1 3.48Å; C386-V644 PolarHBondContact N-O 3.28Å; C386-T645 PolarHBondContact O-OG1 2.95Å
387L97.4Very high93.6Very high4 Ų428.2 Ų28.22%0.02115%0.151CC..EExtended strand (participates in β ladder)trans-113.7161.5-176-61.7-170.1000112.4T368 I369 V410 F416 V610 F611 V612 H613 S625 E646T368-L387 HydrophobicContact CG2-CD2 3.79Å; I369-L387 HydrophobicContact CD1-CD1 3.98Å; I369-L387 HydrophobicContact CG1-CD1 4.32Å; L387-V410 HydrophobicContact CD1-CG2 3.74Å; L387-F416 HydrophobicContact CD1-CE2 4.5Å; L387-V610 HydrophobicContact CD1-CG1 4.34Å; L387-V610 HydrophobicContact CG-CG1 4.2Å; L387-F611 PolarHBondContact N-O 2.93Å; L387-V612 WeakPolarHBondContact O-CA 3.38Å; L387-H613 PolarHBondContact O-N 3.38Å; L387-S625 WeakPolarHBondContact O-CB 3.5Å; L387-E646 HydrophobicContact CD2-CG 3.87Å
388R95.9Very high92.3Very high59 Ų5931.9 Ų31.922%0.22317%0.17CC..PPolyproline II helixtrans-81.7145.3171.1-72.4170.5-69.8146.410.1110.8A614 G623 S625 E646R388-A614 CarbonylContact C-O 3.48Å; R388-A614 WeakPolarHBondContact CA-O 3.13Å; R388-A614 WeakPolarHBondContact CB-O 3.46Å; R388-G623 WeakPolarHBondContact CD-O 3.25Å; R388-G623 PolarHBondContact NE-O 3.46Å; R388-S625 VanDerWaalsContact CG-N 3.34Å; R388-E646 IonicContact CZ-OE1 2.72Å; R388-E646 IonicContact NE-OE1 2.9Å; R388-E646 IonicContact NH2-OE1 3.41Å; R388-E646 PolarHBondContact NH2-OE1 3.49Å
389Q94.9Very high90.6Very high6 Ų634 Ų343%0.02818%0.178CC..PPolyproline II helixtrans-72129.9165.8-175.1178.5-1.300109.6L420 I424 V612 A614Q389-L420 HydrophobicContact CB-CD2 4.49Å; Q389-L420 HydrophobicContact CG-CD2 3.94Å; Q389-I424 HydrophobicContact CG-CD1 4.07Å; Q389-V612 HydrophobicContact CB-CG1 4.06Å; Q389-A614 PolarHBondContact N-O 3.4Å
390P91.8Very high88.9Confident27 Ų2733 Ų3318%0.17518%0.176CC..PPolyproline II helixtrans-72.6150.5173.232.2-36.1000110.9F416 I424P390-F416 HydrophobicContact CB-CE1 4.43Å; P390-F416 WeakPolarHBondContact CD-O 3.11Å; P390-F416 HydrophobicContact CG-CD1 3.71Å; P390-F416 HydrophobicContact CG-CE1 3.51Å; P390-F416 HydrophobicContact CG-CZ 4.39Å; P390-F416 VanDerWaalsContact CG-O 3.28Å; P390-F416 WeakPolarHBondContact CG-O 3.47Å; P390-I424 WeakPolarHBondContact O-CD1 3.49Å
391S90.9Very high87.2Confident15 Ų1528.2 Ų28.211%0.10516%0.158CC..PPolyproline II helixtrans-72143.7168.51650000110.1G393 P394 D513 I541S391-G393 PolarHBondContact OG-N 2.87Å; S391-P394 WeakPolarHBondContact OG-CD 3.44Å; S391-D513 WeakPolarHBondContact CB-OD1 3.15Å; S391-D513 PolarHBondContact OG-OD1 2.85Å; S391-I541 VanDerWaalsContact OG-CD1 3.27Å; S391-I541 WeakPolarHBondContact OG-CD1 3.19Å
392Q88.6Confident85.4Confident37 Ų3729.4 Ų29.417%0.17317%0.171CC..Hα-helixtrans-71.2-34.3177-174.8180-11.900111.8T395 F396 H419 D513Q392-T395 VanDerWaalsContact O-CB 3.23Å; Q392-T395 WeakPolarHBondContact O-CB 3.27Å; Q392-T395 PolarHBondContact O-N 3.14Å; Q392-T395 VanDerWaalsContact O-N 3.09Å; Q392-F396 HydrophobicContact CG-CD2 4.06Å; Q392-F396 HydrophobicContact CG-CE2 3.54Å; Q392-F396 WeakPolarHBondContact O-CD2 3.49Å; Q392-H419 PolarHBondContact OE1-CE1 3.5Å; Q392-H419 PolarHBondContact OE1-ND1 3Å; Q392-D513 VanDerWaalsContact CB-OD2 3.28Å; Q392-D513 WeakPolarHBondContact CB-OD2 3.39Å; Q392-D513 PolarHBondContact N-OD2 3.24Å
393G86.2Confident84.5Confident3 Ų328 Ų283%0.03116%0.163CC..Hα-helixtrans-53-51.8-175.100000114.2S391 T395 F396 D513 N515S391-G393 PolarHBondContact OG-N 2.87Å; G393-T395 VanDerWaalsContact C-N 3.28Å; G393-T395 PolarHBondContact O-N 3.1Å; G393-F396 PolarHBondContact O-N 3.34Å; G393-D513 WeakPolarHBondContact CA-O 3.5Å; G393-D513 PolarHBondContact N-O 3.15Å; G393-N515 WeakPolarHBondContact CA-OD1 3.27Å; G393-N515 PolarHBondContact O-ND2 3.32Å; G393-N515 PolarHBondContact O-OD1 3.47Å
394P86.8Confident84.1Confident52 Ų5228.2 Ų28.234%0.33817%0.165SC..Hα-helixtrans-59.7-31.1176.8-28.437000115.2S391 F396 G397 V398S391-P394 WeakPolarHBondContact OG-CD 3.44Å; P394-F396 VanDerWaalsContact C-N 3.27Å; P394-F396 PolarHBondContact O-N 3.39Å; P394-G397 WeakPolarHBondContact O-CA 3.48Å; P394-G397 PolarHBondContact O-N 3.44Å; P394-V398 PolarHBondContact O-N 3.02Å; P394-V398 VanDerWaalsContact O-N 3.1Å
395T86.9Confident83.8Confident2 Ų228.3 Ų28.31%0.01217%0.167CC..Hα-helixtrans-57.4-40-179.6-59.60000111.8Q392 G393 G397 N417 L418 L912Q392-T395 VanDerWaalsContact O-CB 3.23Å; Q392-T395 WeakPolarHBondContact O-CB 3.27Å; Q392-T395 PolarHBondContact O-N 3.14Å; Q392-T395 VanDerWaalsContact O-N 3.09Å; G393-T395 VanDerWaalsContact C-N 3.28Å; G393-T395 PolarHBondContact O-N 3.1Å; T395-G397 VanDerWaalsContact C-N 3.34Å; T395-N417 PolarHBondContact OG1-O 3.4Å; T395-L418 HydrophobicContact CG2-CD2 4.49Å; T395-L912 HydrophobicContact CG2-CD1 3.32Å; T395-L912 HydrophobicContact CG2-CG 4Å
396F89.1Confident83.7Confident61 Ų6128.3 Ų28.327%0.26817%0.167SC..THydrogen-bonded Turntrans-85.8-6.4177.7-63.8-84.8000113.5Q392 G393 P394 L418 C896 F897 I900Q392-F396 HydrophobicContact CG-CD2 4.06Å; Q392-F396 HydrophobicContact CG-CE2 3.54Å; Q392-F396 WeakPolarHBondContact O-CD2 3.49Å; G393-F396 PolarHBondContact O-N 3.34Å; P394-F396 VanDerWaalsContact C-N 3.27Å; P394-F396 PolarHBondContact O-N 3.39Å; F396-L418 HydrophobicContact CE2-CD2 4.11Å; F396-L418 HydrophobicContact CZ-CD2 3.9Å; F396-C896 PolarHBondContact O-N 3.23Å; F396-F897 HydrophobicContact CB-CB 4.42Å; F396-F897 HydrophobicContact CB-CD1 4.37Å; F396-F897 HydrophobicContact CD1-CB 4.14Å; F396-F897 WeakPolarHBondContact O-CD1 3.5Å; F396-F897 PolarHBondContact O-N 3.02Å; F396-I900 HydrophobicContact CD1-CD1 3.7Å; F396-I900 HydrophobicContact CE1-CD1 3.99Å
397G84.8Confident83.6Confident0 Ų028.9 Ų28.90%017%0.169CC..THydrogen-bonded Turntrans-94.3-69.7-177.800000113.7P394 T395 P892 P895 C896P394-G397 WeakPolarHBondContact O-CA 3.48Å; P394-G397 PolarHBondContact O-N 3.44Å; T395-G397 VanDerWaalsContact C-N 3.34Å; G397-P892 WeakPolarHBondContact O-CG 3.17Å; G397-P895 WeakPolarHBondContact O-CA 3.46Å; G397-C896 PolarHBondContact O-N 2.94Å; G397-C896 PolarHBondContact O-SG 3.43Å
398V68.3Low83.6Confident109 Ų10928.7 Ų28.766%0.66117%0.168SC*.THydrogen-bonded Turntrans-117.8-21.4-165.4-146.10000113.6P394 C896P394-V398 PolarHBondContact O-N 3.02Å; P394-V398 VanDerWaalsContact O-N 3.1Å; V398-C896 PolarHBondContact O-SG 3.22Å
399K62.9Low83.6Confident118 Ų11825.9 Ų25.951%0.51316%0.157SC..  trans147.4154167.6-89.9-178.9172.7-137.80108.6C896 F913K399-C896 VanDerWaalsContact CG-SG 3.59Å; K399-C896 PolarHBondContact N-SG 2.71Å; K399-C896 VanDerWaalsContact N-SG 3.41Å; K399-F913 WeakPolarHBondContact CD-OXT 3.44Å; K399-F913 PolarHBondContact NZ-OXT 3.15Å
400G60Low83.7Confident15 Ų1525.6 Ų25.616%0.15516%0.156CC..PPolyproline II helixtrans-56.3149.8177.100000113.6L912G400-L912 PolarHBondContact N-O 3.06Å
401G59.8Low83.8Confident32 Ų3224.4 Ų24.433%0.3315%0.148SC..PPolyproline II helixtrans-76.1126.417800000111.6A403 N417G401-A403 PolarHBondContact O-N 3.46Å; G401-N417 WeakPolarHBondContact CA-OD1 3.28Å; G401-N417 PolarHBondContact N-OD1 3.47Å; G401-N417 PolarHBondContact O-ND2 3.41Å; G401-N417 PolarHBondContact O-OD1 2.84Å
402A59.8Low84Confident46 Ų4624.7 Ų24.738%0.3815%0.15SC..PPolyproline II helixtrans-75.1123.9176.500000110.7G404 M413A402-G404 WeakPolarHBondContact CB-O 3.38Å; A402-G404 PolarHBondContact O-N 3Å; A402-M413 HydrophobicContact CB-CE 3.82Å
403A76.7Confident84.1Confident1 Ų123.1 Ų23.11%0.00814%0.142CC..SBendtrans-76.649.4174.600000111G401 Q409 V410 F416G401-A403 PolarHBondContact O-N 3.46Å; A403-Q409 CarbonylContact O-C 3.53Å; A403-Q409 VanDerWaalsContact O-CA 3.26Å; A403-Q409 WeakPolarHBondContact O-CA 3.43Å; A403-V410 HydrophobicContact CB-CB 3.73Å; A403-V410 HydrophobicContact CB-CG2 4.01Å; A403-V410 PolarHBondContact O-N 2.77Å; A403-F416 HydrophobicContact CB-CD1 3.5Å; A403-F416 HydrophobicContact CB-CD2 3.77Å; A403-F416 HydrophobicContact CB-CE1 3.42Å; A403-F416 VanDerWaalsContact CB-CE1 3.42Å; A403-F416 HydrophobicContact CB-CE2 3.7Å; A403-F416 HydrophobicContact CB-CG 3.68Å; A403-F416 HydrophobicContact CB-CZ 3.54Å
404G89.9Confident84.2Confident5 Ų524.9 Ų24.95%0.05215%0.15CC..EExtended strand (participates in β ladder)trans111.3-143.2-159.200000111.3T366 A402 A408T366-G404 PolarHBondContact OG1-O 3.15Å; A402-G404 WeakPolarHBondContact CB-O 3.38Å; A402-G404 PolarHBondContact O-N 3Å; G404-A408 CarbonylContact C-O 3.49Å; G404-A408 VanDerWaalsContact CA-O 3.27Å; G404-A408 WeakPolarHBondContact CA-O 3.42Å
405G92.8Very high84.4Confident3 Ų325.3 Ų25.33%0.03115%0.147CC..EExtended strand (participates in β ladder)trans177.915517300000112.5T366 Y407 A408 W766T366-G405 WeakPolarHBondContact CG2-O 3.3Å; G405-Y407 PolarHBondContact O-N 3.28Å; G405-A408 PolarHBondContact N-O 3.08Å; G405-A408 CarbonylContact O-C 3.56Å; G405-A408 PolarHBondContact O-N 2.93Å; G405-A408 VanDerWaalsContact O-N 3.07Å; G405-W766 VanDerWaalsContact C-CD1 3.42Å
406G94.8Very high84.6Confident0 Ų025.6 Ų25.60%015%0.148CC..THydrogen-bonded Turntrans56.4-127.8-175.900000111.6D297 A408 Q409 W766D297-G406 WeakPolarHBondContact OD1-CA 3.41Å; D297-G406 PolarHBondContact OD1-N 3.04Å; G406-A408 VanDerWaalsContact C-N 3.28Å; G406-A408 PolarHBondContact O-N 3.37Å; G406-Q409 WeakPolarHBondContact O-CG 3.45Å; G406-Q409 PolarHBondContact O-NE2 3.15Å; G406-W766 WeakPolarHBondContact CA-O 3.43Å
407Y97.5Very high84.6Confident12 Ų1222.7 Ų22.75%0.04714%0.136CC..THydrogen-bonded Turntrans-85.97.2178.5-74.2-71.8000114.8L288 P290 L291 V294 I300 G405 L605 W766 S767 G769L288-Y407 HydrophobicContact CD1-CD1 3.96Å; L288-Y407 HydrophobicContact CD2-CD1 3.62Å; L288-Y407 HydrophobicContact CD2-CG 3.91Å; L288-Y407 HydrophobicContact CG-CD1 3.9Å; L288-Y407 HydrophobicContact CG-CE1 4.49Å; P290-Y407 VanDerWaalsContact CA-CZ 3.48Å; P290-Y407 HydrophobicContact CB-CD2 4.09Å; P290-Y407 HydrophobicContact CB-CE1 4.5Å; P290-Y407 HydrophobicContact CB-CE2 3.92Å; P290-Y407 HydrophobicContact CB-CG 4.45Å; L291-Y407 WeakPolarHBondContact CB-OH 3.26Å; L291-Y407 PolarHBondContact N-OH 3.06Å; V294-Y407 HydrophobicContact CG1-CD2 4.25Å; V294-Y407 HydrophobicContact CG1-CE2 4Å; V294-Y407 HydrophobicContact CG2-CE2 4.44Å; I300-Y407 HydrophobicContact CD1-CD2 4.2Å; I300-Y407 HydrophobicContact CD1-CE1 4.31Å; I300-Y407 HydrophobicContact CD1-CE2 3.97Å; I300-Y407 HydrophobicContact CD1-CG 4.47Å; I300-Y407 HydrophobicContact CG1-CE1 4.16Å; I300-Y407 HydrophobicContact CG1-CE2 4.5Å; I300-Y407 HydrophobicContact CG2-CD1 3.64Å; I300-Y407 HydrophobicContact CG2-CE1 3.62Å; I300-Y407 HydrophobicContact CG2-CG 4.4Å; G405-Y407 PolarHBondContact O-N 3.28Å; Y407-L605 VanDerWaalsContact C-CD1 3.48Å; Y407-L605 HydrophobicContact CD1-CD1 4.41Å; Y407-L605 WeakPolarHBondContact O-CD1 3.46Å; Y407-W766 PolarHBondContact N-O 2.85Å; Y407-S767 WeakPolarHBondContact CD2-O 3.47Å; Y407-G769 WeakPolarHBondContact O-CA 3.11Å
408A97.4Very high84.8Confident0 Ų024.5 Ų24.50%015%0.145CC..EExtended strand (participates in β ladder)trans-123.176.5175.700000110.3T366 I369 G404 G405 G406 H765T366-A408 HydrophobicContact CG2-CB 4.14Å; I369-A408 HydrophobicContact CB-CB 4.46Å; I369-A408 HydrophobicContact CG2-CB 4.21Å; G404-A408 CarbonylContact C-O 3.49Å; G404-A408 VanDerWaalsContact CA-O 3.27Å; G404-A408 WeakPolarHBondContact CA-O 3.42Å; G405-A408 PolarHBondContact N-O 3.08Å; G405-A408 CarbonylContact O-C 3.56Å; G405-A408 PolarHBondContact O-N 2.93Å; G405-A408 VanDerWaalsContact O-N 3.07Å; G406-A408 VanDerWaalsContact C-N 3.28Å; G406-A408 PolarHBondContact O-N 3.37Å; A408-H765 HydrophobicContact CB-CB 4.11Å
409Q95.3Very high86Confident0 Ų024.1 Ų24.10%014%0.136CC..EExtended strand (participates in β ladder)trans-143.4158.2-17856.1177.3-23.400113.3D297 A403 G406 I411 T604 L605D297-Q409 PolarHBondContact O-NE2 2.92Å; D297-Q409 PolarHBondContact O-OE1 3.49Å; A403-Q409 CarbonylContact O-C 3.53Å; A403-Q409 VanDerWaalsContact O-CA 3.26Å; A403-Q409 WeakPolarHBondContact O-CA 3.43Å; G406-Q409 WeakPolarHBondContact O-CG 3.45Å; G406-Q409 PolarHBondContact O-NE2 3.15Å; Q409-I411 HydrophobicContact CG-CG2 4.41Å; Q409-T604 WeakPolarHBondContact O-CA 3.43Å; Q409-L605 HydrophobicContact CG-CD1 3.48Å; Q409-L605 VanDerWaalsContact CG-CD1 3.48Å; Q409-L605 HydrophobicContact CG-CD2 4.48Å; Q409-L605 HydrophobicContact CG-CG 3.85Å; Q409-L605 PolarHBondContact O-N 2.59Å
410V96.9Very high87.5Confident0 Ų019.2 Ų19.20%012%0.115CC..EExtended strand (participates in β ladder)trans-79.3138.8168.3-171.60000109.8I369 L387 A403 F416 M602 Q603 V610I369-V410 HydrophobicContact CD1-CG2 3.7Å; I369-V410 HydrophobicContact CG1-CG2 4.31Å; L387-V410 HydrophobicContact CD1-CG2 3.74Å; A403-V410 HydrophobicContact CB-CB 3.73Å; A403-V410 HydrophobicContact CB-CG2 4.01Å; A403-V410 PolarHBondContact O-N 2.77Å; V410-F416 HydrophobicContact CB-CD2 4.35Å; V410-F416 HydrophobicContact CG1-CD2 4.21Å; V410-M602 HydrophobicContact CG1-CB 3.9Å; V410-M602 HydrophobicContact CG1-CE 4.34Å; V410-M602 HydrophobicContact CG1-SD 4.2Å; V410-Q603 WeakPolarHBondContact CA-O 3.19Å; V410-Q603 WeakPolarHBondContact CG1-O 3.33Å; V410-V610 HydrophobicContact CG2-CB 4.43Å; V410-V610 HydrophobicContact CG2-CG1 3.93Å; V410-V610 HydrophobicContact CG2-CG2 4.2Å
411I95.3Very high89.3Confident1 Ų119.3 Ų19.31%0.00511%0.113CC..EExtended strand (participates in β ladder)trans-127.4149.517960.3165.5000111.7S301 Q304 P306 Q409 Q603 L605S301-I411 WeakPolarHBondContact OG-CG2 3.45Å; Q304-I411 HydrophobicContact CB-CD1 4.14Å; Q304-I411 HydrophobicContact CG-CD1 3.83Å; P306-I411 HydrophobicContact CB-CD1 3.9Å; P306-I411 HydrophobicContact CB-CG1 4.32Å; Q409-I411 HydrophobicContact CG-CG2 4.41Å; I411-Q603 HydrophobicContact CG1-CG 4.24Å; I411-Q603 PolarHBondContact N-O 2.61Å; I411-L605 HydrophobicContact CD1-CD2 4.28Å; I411-L605 HydrophobicContact CG2-CD2 3.58Å; I411-L605 HydrophobicContact CG2-CG 3.99Å
412P94.1Very high91Very high22 Ų2218.8 Ų18.814%0.14311%0.107CC..  cis-74.5137.6-6.5-20.935.9000113.7P306 E414 E415 F416P306-P412 HydrophobicContact CG-CG 4.3Å; P412-E414 PolarHBondContact O-N 2.8Å; P412-E415 HydrophobicContact CB-CG 4.28Å; P412-F416 PolarHBondContact O-N 3.25Å
413M90.1Very high92.9Very high3 Ų316.7 Ų16.72%0.0159%0.09CC..Hα-helixtrans-68.7-32.6-173.4-165.1-173.2-172.200114D297 S301 A402 F416 N417 F913D297-M413 HydrophobicContact CB-CE 4.14Å; D297-M413 HydrophobicContact CB-SD 4.17Å; S301-M413 PolarHBondContact OG-N 3.16Å; A402-M413 HydrophobicContact CB-CE 3.82Å; M413-F416 WeakPolarHBondContact O-CB 3.41Å; M413-F416 PolarHBondContact O-N 3.44Å; M413-N417 PolarHBondContact O-N 3.23Å; M413-N417 PolarHBondContact O-ND2 2.85Å; M413-F913 HydrophobicContact CB-CE2 4.38Å; M413-F913 HydrophobicContact CB-CZ 4.23Å; M413-F913 HydrophobicContact CE-CD1 3.45Å; M413-F913 VanDerWaalsContact CE-CD1 3.45Å; M413-F913 HydrophobicContact CE-CE1 3.54Å; M413-F913 HydrophobicContact CE-CG 4.14Å; M413-F913 HydrophobicContact CE-CZ 4.27Å; M413-F913 HydrophobicContact CG-CD1 4.46Å; M413-F913 HydrophobicContact CG-CE1 3.82Å; M413-F913 HydrophobicContact CG-CE2 4.09Å; M413-F913 HydrophobicContact CG-CZ 3.6Å; M413-F913 HydrophobicContact SD-CD1 3.78Å; M413-F913 HydrophobicContact SD-CD2 4.11Å; M413-F913 HydrophobicContact SD-CE1 3.75Å; M413-F913 HydrophobicContact SD-CE2 4.05Å; M413-F913 HydrophobicContact SD-CG 3.97Å; M413-F913 HydrophobicContact SD-CZ 3.88Å
414E88.9Confident93.8Very high40 Ų4017 Ų1719%0.1879%0.091CC..Hα-helixtrans-65.9-47.1178.5-66.7163.7135.400111.1I298 R302 P412 F416 N417 L418 V909 L912 F913I298-E414 HydrophobicContact CD1-CG 3.96Å; R302-E414 IonicContact CZ-OE1 2.64Å; R302-E414 IonicContact NE-OE1 3.87Å; R302-E414 IonicContact NH2-OE1 2.7Å; R302-E414 PolarHBondContact NH2-OE1 2.82Å; P412-E414 PolarHBondContact O-N 2.8Å; E414-F416 VanDerWaalsContact C-N 3.26Å; E414-F416 PolarHBondContact O-N 3.16Å; E414-N417 PolarHBondContact O-N 3.1Å; E414-L418 WeakPolarHBondContact O-CG 3.31Å; E414-L418 PolarHBondContact O-N 3.43Å; E414-V909 WeakPolarHBondContact OE1-CB 3.37Å; E414-V909 PolarHBondContact OE1-N 3.27Å; E414-L912 HydrophobicContact CG-CD2 4.44Å; E414-F913 HydrophobicContact CG-CE2 3.89Å
415E90.6Very high94.2Very high61 Ų6120.8 Ų20.829%0.28511%0.108SC..Hα-helixtrans-62.8-34.6177.9-63-169.4-128.400112S329 K330 P412 N417 L420S329-E415 VanDerWaalsContact OG-CD 3.3Å; S329-E415 PolarHBondContact OG-OE1 3.37Å; S329-E415 PolarHBondContact OG-OE2 3.25Å; K330-E415 VanDerWaalsContact CD-OE2 3.25Å; K330-E415 WeakPolarHBondContact CD-OE2 3.4Å; K330-E415 VanDerWaalsContact CE-OE2 3.24Å; K330-E415 WeakPolarHBondContact CE-OE2 3.4Å; K330-E415 IonicContact NZ-OE2 3.49Å; K330-E415 PolarHBondContact NZ-OE2 3.3Å; P412-E415 HydrophobicContact CB-CG 4.28Å; E415-N417 VanDerWaalsContact C-N 3.33Å; E415-N417 PolarHBondContact O-N 3.43Å; E415-L420 WeakPolarHBondContact O-CA 3.48Å; E415-L420 PolarHBondContact O-N 3.26Å
416F90.5Very high94.5Very high9 Ų921.6 Ų21.64%0.03911%0.114CC..Hα-helixtrans-64-34.3176.4-177.9-84.7000113.1L387 P390 A403 V410 P412 M413 E414 M602 V612L387-F416 HydrophobicContact CD1-CE2 4.5Å; P390-F416 HydrophobicContact CB-CE1 4.43Å; P390-F416 WeakPolarHBondContact CD-O 3.11Å; P390-F416 HydrophobicContact CG-CD1 3.71Å; P390-F416 HydrophobicContact CG-CE1 3.51Å; P390-F416 HydrophobicContact CG-CZ 4.39Å; P390-F416 VanDerWaalsContact CG-O 3.28Å; P390-F416 WeakPolarHBondContact CG-O 3.47Å; A403-F416 HydrophobicContact CB-CD1 3.5Å; A403-F416 HydrophobicContact CB-CD2 3.77Å; A403-F416 HydrophobicContact CB-CE1 3.42Å; A403-F416 VanDerWaalsContact CB-CE1 3.42Å; A403-F416 HydrophobicContact CB-CE2 3.7Å; A403-F416 HydrophobicContact CB-CG 3.68Å; A403-F416 HydrophobicContact CB-CZ 3.54Å; V410-F416 HydrophobicContact CB-CD2 4.35Å; V410-F416 HydrophobicContact CG1-CD2 4.21Å; P412-F416 PolarHBondContact O-N 3.25Å; M413-F416 WeakPolarHBondContact O-CB 3.41Å; M413-F416 PolarHBondContact O-N 3.44Å; E414-F416 VanDerWaalsContact C-N 3.26Å; E414-F416 PolarHBondContact O-N 3.16Å; F416-M602 HydrophobicContact CD2-SD 4.25Å; F416-V612 HydrophobicContact CD2-CG1 4.03Å; F416-V612 HydrophobicContact CD2-CG2 3.82Å; F416-V612 HydrophobicContact CE2-CB 4.2Å; F416-V612 HydrophobicContact CE2-CG1 3.56Å; F416-V612 HydrophobicContact CE2-CG2 3.53Å; F416-V612 HydrophobicContact CZ-CG1 4.23Å
417N89.3Confident94.7Very high0 Ų021.6 Ų21.60%011%0.114CC..Hα-helixtrans-97.5-10.6-170.1-85.6-76.1000115.7T395 G401 M413 E414 E415 F913T395-N417 PolarHBondContact OG1-O 3.4Å; G401-N417 WeakPolarHBondContact CA-OD1 3.28Å; G401-N417 PolarHBondContact N-OD1 3.47Å; G401-N417 PolarHBondContact O-ND2 3.41Å; G401-N417 PolarHBondContact O-OD1 2.84Å; M413-N417 PolarHBondContact O-N 3.23Å; M413-N417 PolarHBondContact O-ND2 2.85Å; E414-N417 PolarHBondContact O-N 3.1Å; E415-N417 VanDerWaalsContact C-N 3.33Å; E415-N417 PolarHBondContact O-N 3.43Å; N417-F913 HydrophobicContact CB-CE1 4.32Å; N417-F913 HydrophobicContact CB-CZ 4.1Å; N417-F913 WeakPolarHBondContact ND2-CE1 3.24Å
418L90.3Very high94.7Very high38 Ų3822.1 Ų22.120%0.19912%0.118CC..THydrogen-bonded Turntrans-105.7-122.7-178.6-62.9176.5000109.8T395 F396 E414 L912T395-L418 HydrophobicContact CG2-CD2 4.49Å; F396-L418 HydrophobicContact CE2-CD2 4.11Å; F396-L418 HydrophobicContact CZ-CD2 3.9Å; E414-L418 WeakPolarHBondContact O-CG 3.31Å; E414-L418 PolarHBondContact O-N 3.43Å; L418-L912 HydrophobicContact CD1-CD2 4.3Å; L418-L912 HydrophobicContact CD2-CD1 4.35Å; L418-L912 HydrophobicContact CD2-CD2 4.29Å; L418-L912 HydrophobicContact CG-CD2 4.23Å
419H93.2Very high94.8Very high101 Ų10124.3 Ų24.347%0.46814%0.136SC..THydrogen-bonded Turntrans-80.3-18.3-171-53.7-47.5000113.9Q392 T421 G422 H425Q392-H419 PolarHBondContact OE1-CE1 3.5Å; Q392-H419 PolarHBondContact OE1-ND1 3Å; H419-T421 PolarHBondContact O-N 3.02Å; H419-G422 PolarHBondContact O-N 2.89Å; H419-H425 AromaticContact CG-NE2 3.88Å; H419-H425 AromaticContact ND1-CE1 3.9Å; H419-H425 AromaticContact ND1-NE2 3.33Å; H419-H425 PolarHBondContact ND1-NE2 2.85Å
420L94.4Very high95Very high14 Ų1424.3 Ų24.37%0.07314%0.136CC..THydrogen-bonded Turntrans46.9-103.1-171.4-169.966.9000111.3K330 Q389 E415 N600 M602 V612K330-L420 HydrophobicContact CD-CD1 4.14Å; K330-L420 WeakPolarHBondContact CE-O 3.12Å; Q389-L420 HydrophobicContact CB-CD2 4.49Å; Q389-L420 HydrophobicContact CG-CD2 3.94Å; E415-L420 WeakPolarHBondContact O-CA 3.48Å; E415-L420 PolarHBondContact O-N 3.26Å; L420-N600 HydrophobicContact CD2-CB 4.23Å; L420-N600 WeakPolarHBondContact CD2-ND2 3.43Å; L420-M602 HydrophobicContact CD1-CE 4.49Å; L420-M602 HydrophobicContact CD1-SD 3.65Å; L420-V612 HydrophobicContact CD2-CB 4.22Å; L420-V612 HydrophobicContact CD2-CG1 3.87Å
421T96.6Very high95Very high17 Ų1724.5 Ų24.510%0.10414%0.137CC..THydrogen-bonded Turntrans-118.57.5179.152.60000113.6Y326 K330 K332 H419 D423 N600Y326-T421 HydrophobicContact CD1-CG2 4.13Å; Y326-T421 HydrophobicContact CD2-CG2 4.1Å; Y326-T421 HydrophobicContact CE1-CG2 4.49Å; Y326-T421 HydrophobicContact CE2-CG2 4.48Å; Y326-T421 HydrophobicContact CG-CG2 3.92Å; K330-T421 HydrophobicContact CD-CG2 4.46Å; K332-T421 HydrophobicContact CG-CG2 4.4Å; K332-T421 PolarHBondContact NZ-OG1 2.81Å; H419-T421 PolarHBondContact O-N 3.02Å; T421-D423 PolarHBondContact OG1-OD1 3.08Å; T421-D423 PolarHBondContact OG1-OD2 3.16Å; T421-N600 HydrophobicContact CG2-CB 4.37Å; T421-N600 VanDerWaalsContact CG2-OD1 3.3Å; T421-N600 WeakPolarHBondContact CG2-OD1 2.95Å; T421-N600 VanDerWaalsContact OG1-CG 3.25Å; T421-N600 PolarHBondContact OG1-ND2 2.92Å; T421-N600 PolarHBondContact OG1-OD1 3.2Å
422G97.2Very high95.2Very high21 Ų2126.4 Ų26.422%0.21615%0.148CC..SBendtrans88.511.5178.200000116H419 I424 H425 A426H419-G422 PolarHBondContact O-N 2.89Å; G422-I424 PolarHBondContact O-N 2.96Å; G422-H425 WeakPolarHBondContact O-CA 3.35Å; G422-H425 WeakPolarHBondContact O-CB 3.27Å; G422-H425 PolarHBondContact O-N 3.27Å; G422-A426 PolarHBondContact O-N 2.93Å
423D98.2Very high95.4Very high2 Ų228.6 Ų28.61%0.01116%0.157CC..Hα-helixtrans-60.8-42.5-174.5-58.1-2.3000112.4K332 T421 H425 A426 I427 A596 N600 H613K332-D423 VanDerWaalsContact CE-OD1 3.26Å; K332-D423 WeakPolarHBondContact CE-OD1 3.49Å; K332-D423 VanDerWaalsContact NZ-CG 3.34Å; K332-D423 IonicContact NZ-OD1 3.92Å; K332-D423 PolarHBondContact NZ-OD1 3.3Å; K332-D423 IonicContact NZ-OD2 3.77Å; K332-D423 PolarHBondContact NZ-OD2 3.48Å; T421-D423 PolarHBondContact OG1-OD1 3.08Å; T421-D423 PolarHBondContact OG1-OD2 3.16Å; D423-H425 VanDerWaalsContact C-N 3.3Å; D423-H425 PolarHBondContact O-N 2.91Å; D423-A426 WeakPolarHBondContact O-CB 3.39Å; D423-A426 PolarHBondContact O-N 2.9Å; D423-I427 WeakPolarHBondContact O-CG1 3.37Å; D423-I427 PolarHBondContact O-N 2.96Å; D423-I427 VanDerWaalsContact O-N 3.08Å; D423-A596 HydrophobicContact CB-CB 4.28Å; D423-N600 PolarHBondContact OD2-ND2 3.3Å; D423-H613 IonicContact OD2-CD2 2.72Å
424I97.4Very high95.8Very high7 Ų728.4 Ų28.44%0.03616%0.157CC..Hα-helixtrans-68.9-30.2176.8-60.3175.7000111.6Q389 P390 G422 I427 T428 D513 A542 V543 M548Q389-I424 HydrophobicContact CG-CD1 4.07Å; P390-I424 WeakPolarHBondContact O-CD1 3.49Å; G422-I424 PolarHBondContact O-N 2.96Å; I424-I427 PolarHBondContact O-N 3.3Å; I424-T428 WeakPolarHBondContact O-CB 3.43Å; I424-T428 PolarHBondContact O-N 2.86Å; I424-T428 PolarHBondContact O-OG1 3.02Å; I424-D513 HydrophobicContact CG2-CB 3.86Å; I424-A542 HydrophobicContact CG2-CB 3.52Å; I424-V543 HydrophobicContact CD1-CG1 4.01Å; I424-M548 HydrophobicContact CG1-CE 3.91Å
425H98.1Very high96.3Very high86 Ų8626.6 Ų26.640%0.39815%0.148SC..Hα-helixtrans-67.8-42.7174.5-60.7-44.2000111H419 G422 D423 I427 T428 A429H419-H425 AromaticContact CG-NE2 3.88Å; H419-H425 AromaticContact ND1-CE1 3.9Å; H419-H425 AromaticContact ND1-NE2 3.33Å; H419-H425 PolarHBondContact ND1-NE2 2.85Å; G422-H425 WeakPolarHBondContact O-CA 3.35Å; G422-H425 WeakPolarHBondContact O-CB 3.27Å; G422-H425 PolarHBondContact O-N 3.27Å; D423-H425 VanDerWaalsContact C-N 3.3Å; D423-H425 PolarHBondContact O-N 2.91Å; H425-I427 VanDerWaalsContact C-N 3.34Å; H425-I427 PolarHBondContact O-N 3.17Å; H425-T428 WeakPolarHBondContact O-CB 3.47Å; H425-T428 PolarHBondContact O-N 3.11Å; H425-A429 PolarHBondContact O-N 3.05Å
426A98.5Very high96.6Very high19 Ų1925.5 Ų25.516%0.15715%0.15CC..Hα-helixtrans-59.8-43.3173.800000111.8G422 D423 T428 A429 A430 L592 M593 A596G422-A426 PolarHBondContact O-N 2.93Å; D423-A426 WeakPolarHBondContact O-CB 3.39Å; D423-A426 PolarHBondContact O-N 2.9Å; A426-T428 PolarHBondContact O-N 2.99Å; A426-A429 PolarHBondContact O-N 3.29Å; A426-A430 WeakPolarHBondContact O-CB 3.35Å; A426-A430 PolarHBondContact O-N 2.81Å; A426-L592 WeakPolarHBondContact CB-O 3.45Å; A426-M593 HydrophobicContact CB-SD 4.19Å; A426-A596 HydrophobicContact CB-CB 3.83Å
427I98.4Very high97Very high0 Ų026 Ų260%016%0.156CC..Hα-helixtrans-60.5-45.4174.3-69.2167.1000111D423 I424 H425 A429 A430 N431 I547 M548 L551 M593D423-I427 WeakPolarHBondContact O-CG1 3.37Å; D423-I427 PolarHBondContact O-N 2.96Å; D423-I427 VanDerWaalsContact O-N 3.08Å; I424-I427 PolarHBondContact O-N 3.3Å; H425-I427 VanDerWaalsContact C-N 3.34Å; H425-I427 PolarHBondContact O-N 3.17Å; I427-A429 PolarHBondContact O-N 3.49Å; I427-A430 PolarHBondContact O-N 3.17Å; I427-N431 WeakPolarHBondContact O-CB 3.46Å; I427-N431 PolarHBondContact O-N 2.99Å; I427-I547 HydrophobicContact CG1-CG2 4.21Å; I427-I547 HydrophobicContact CG2-CB 4.33Å; I427-I547 HydrophobicContact CG2-CG2 4.37Å; I427-M548 HydrophobicContact CD1-CB 4.08Å; I427-M548 HydrophobicContact CD1-CE 3.22Å; I427-M548 HydrophobicContact CD1-CG 4.4Å; I427-M548 HydrophobicContact CD1-SD 3.52Å; I427-M548 VanDerWaalsContact CD1-SD 3.52Å; I427-M548 HydrophobicContact CG2-CB 4.5Å; I427-L551 HydrophobicContact CD1-CD2 3.91Å; I427-M593 HydrophobicContact CD1-CE 4.44Å; I427-M593 HydrophobicContact CG1-CE 3.63Å; I427-M593 HydrophobicContact CG1-SD 3.95Å
428T98.6Very high97.4Very high23 Ų2326 Ų2614%0.14116%0.156CC..Hα-helixtrans-60.6-46.8179.4-60.80000111I424 H425 A426 N432 V511 A542I424-T428 WeakPolarHBondContact O-CB 3.43Å; I424-T428 PolarHBondContact O-N 2.86Å; I424-T428 PolarHBondContact O-OG1 3.02Å; H425-T428 WeakPolarHBondContact O-CB 3.47Å; H425-T428 PolarHBondContact O-N 3.11Å; A426-T428 PolarHBondContact O-N 2.99Å; T428-N432 VanDerWaalsContact O-CB 3.3Å; T428-N432 WeakPolarHBondContact O-CB 3.46Å; T428-N432 VanDerWaalsContact O-CG 3.29Å; T428-N432 PolarHBondContact O-N 3.35Å; T428-N432 PolarHBondContact O-ND2 2.89Å; T428-V511 HydrophobicContact CG2-CG2 4.31Å; T428-A542 WeakPolarHBondContact OG1-CB 3.4Å
429A98.8Very high97.7Very high46 Ų4625.8 Ų25.838%0.3816%0.155SC..Hα-helixtrans-62-48176.900000111.9H425 A426 I427 N432 L433 L592H425-A429 PolarHBondContact O-N 3.05Å; A426-A429 PolarHBondContact O-N 3.29Å; I427-A429 PolarHBondContact O-N 3.49Å; A429-N432 PolarHBondContact O-N 3.43Å; A429-L433 WeakPolarHBondContact O-CB 3.45Å; A429-L433 PolarHBondContact O-N 2.97Å; A429-L592 HydrophobicContact CB-CD1 4.49Å
430A98.7Very high97.7Very high0 Ų024.4 Ų24.40%015%0.153CC..Hα-helixtrans-63.5-46.2-179.900000112.1A426 I427 N432 L433 L434 I547 L589 L592 M593A426-A430 WeakPolarHBondContact O-CB 3.35Å; A426-A430 PolarHBondContact O-N 2.81Å; I427-A430 PolarHBondContact O-N 3.17Å; A430-N432 VanDerWaalsContact C-N 3.34Å; A430-N432 PolarHBondContact O-N 3.05Å; A430-L433 PolarHBondContact O-N 2.97Å; A430-L434 PolarHBondContact O-N 3.21Å; A430-L434 VanDerWaalsContact O-N 3.1Å; A430-I547 HydrophobicContact CB-CD1 3.77Å; A430-L589 HydrophobicContact CB-CD2 4.05Å; A430-L589 WeakPolarHBondContact O-CD2 3.35Å; A430-L592 HydrophobicContact CB-CB 4.18Å; A430-L592 HydrophobicContact CB-CD1 4.1Å; A430-M593 HydrophobicContact CB-CG 4.26Å; A430-M593 HydrophobicContact CB-SD 4.19Å
431N98.7Very high97.8Very high4 Ų424.9 Ų24.92%0.02115%0.154CC..Hα-helixtrans-62.1-43.9179.7-175.6103.3000111.4I427 L434 A435 W508 Q509 V511 S545 I547I427-N431 WeakPolarHBondContact O-CB 3.46Å; I427-N431 PolarHBondContact O-N 2.99Å; N431-L434 PolarHBondContact O-N 3.03Å; N431-A435 PolarHBondContact O-N 3.07Å; N431-W508 HydrophobicContact CB-CZ2 4.42Å; N431-W508 PolarHBondContact O-NE1 2.9Å; N431-W508 VanDerWaalsContact O-NE1 3.14Å; N431-W508 WeakPolarHBondContact OD1-CZ2 3.44Å; N431-Q509 PolarHBondContact ND2-O 3.32Å; N431-V511 HydrophobicContact CB-CG2 3.66Å; N431-S545 WeakPolarHBondContact OD1-CB 3.45Å; N431-S545 PolarHBondContact OD1-OG 3.06Å; N431-I547 HydrophobicContact CB-CD1 4.1Å
432N98.7Very high97.7Very high42 Ų4225.3 Ų25.323%0.22516%0.156CC..Hα-helixtrans-74.5-28.3-178.7-70-21.5000112.5T428 A429 A430 A435 A436 R510 V511T428-N432 VanDerWaalsContact O-CB 3.3Å; T428-N432 WeakPolarHBondContact O-CB 3.46Å; T428-N432 VanDerWaalsContact O-CG 3.29Å; T428-N432 PolarHBondContact O-N 3.35Å; T428-N432 PolarHBondContact O-ND2 2.89Å; A429-N432 PolarHBondContact O-N 3.43Å; A430-N432 VanDerWaalsContact C-N 3.34Å; A430-N432 PolarHBondContact O-N 3.05Å; N432-A435 PolarHBondContact O-N 3.31Å; N432-A436 WeakPolarHBondContact O-CB 3.2Å; N432-A436 PolarHBondContact O-N 3.16Å; N432-R510 WeakPolarHBondContact OD1-CA 3.49Å; N432-R510 WeakPolarHBondContact OD1-CB 3.4Å; N432-V511 PolarHBondContact ND2-O 2.83Å; N432-V511 PolarHBondContact OD1-N 2.77Å
433L98.8Very high97.6Very high67 Ų6726.1 Ų26.135%0.35116%0.155SC..Hα-helixtrans-62.4-45.7168.4176.760.4000111.2A429 A430 A435 A436 A437 A588 L589 L592A429-L433 WeakPolarHBondContact O-CB 3.45Å; A429-L433 PolarHBondContact O-N 2.97Å; A430-L433 PolarHBondContact O-N 2.97Å; L433-A435 PolarHBondContact O-N 2.66Å; L433-A436 PolarHBondContact O-N 2.72Å; L433-A437 WeakPolarHBondContact O-CB 3.42Å; L433-A437 PolarHBondContact O-N 2.75Å; L433-A588 HydrophobicContact CD2-CB 3.89Å; L433-L589 HydrophobicContact CB-CD2 4.37Å; L433-L589 HydrophobicContact CD2-CD2 4.22Å; L433-L589 HydrophobicContact CG-CD2 4.44Å; L433-L592 HydrophobicContact CB-CD1 4.43Å; L433-L592 HydrophobicContact CD2-CD1 3.77Å
434L98.6Very high97.4Very high0 Ų029.7 Ų29.70%017%0.171CC..Hα-helixtrans-62.9-42.4175.8178.854.9000111.5A430 N431 A436 A437 I438 W508 M567 V569 A580 L583 V585 L589A430-L434 PolarHBondContact O-N 3.21Å; A430-L434 VanDerWaalsContact O-N 3.1Å; N431-L434 PolarHBondContact O-N 3.03Å; L434-A436 VanDerWaalsContact C-N 3.34Å; L434-A436 PolarHBondContact O-N 3.28Å; L434-A437 PolarHBondContact O-N 3.33Å; L434-I438 WeakPolarHBondContact O-CG1 3.43Å; L434-I438 PolarHBondContact O-N 2.94Å; L434-I438 VanDerWaalsContact O-N 3.09Å; L434-W508 HydrophobicContact CB-CZ2 4.45Å; L434-W508 HydrophobicContact CD2-CD2 3.83Å; L434-W508 VanDerWaalsContact CD2-CE2 3.48Å; L434-W508 HydrophobicContact CD2-CE3 4.13Å; L434-W508 HydrophobicContact CD2-CH2 3.83Å; L434-W508 HydrophobicContact CD2-CZ2 3.51Å; L434-W508 HydrophobicContact CD2-CZ3 4.13Å; L434-W508 HydrophobicContact CG-CD2 4.25Å; L434-W508 HydrophobicContact CG-CG 4.45Å; L434-W508 HydrophobicContact CG-CZ2 4.29Å; L434-M567 HydrophobicContact CD2-CE 3.65Å; L434-V569 HydrophobicContact CD1-CG1 4.01Å; L434-V569 HydrophobicContact CD2-CG1 3.88Å; L434-V569 HydrophobicContact CG-CG1 4.06Å; L434-A580 HydrophobicContact CD1-CB 4.09Å; L434-A580 HydrophobicContact CD2-CB 4.19Å; L434-L583 HydrophobicContact CD1-CD1 3.63Å; L434-V585 HydrophobicContact CD1-CG2 3.6Å; L434-L589 HydrophobicContact CB-CD1 4.36Å; L434-L589 HydrophobicContact CB-CD2 4.32Å; L434-L589 HydrophobicContact CD2-CD1 4.19Å
435A98.3Very high97.3Very high1 Ų129.9 Ų29.91%0.00817%0.172CC..Hα-helixtrans-60.3-42.1174.700000112.5N431 N432 L433 I438 D439 R510N431-A435 PolarHBondContact O-N 3.07Å; N432-A435 PolarHBondContact O-N 3.31Å; L433-A435 PolarHBondContact O-N 2.66Å; A435-I438 PolarHBondContact O-N 3.46Å; A435-D439 PolarHBondContact O-N 3.41Å; A435-R510 HydrophobicContact CB-CG 3.62Å
436A98Very high97Very high38 Ų3830.4 Ų30.431%0.31418%0.178SC..Hα-helixtrans-63.8-43.2175.300000111.7N432 L433 L434 I438 D439 T440N432-A436 WeakPolarHBondContact O-CB 3.2Å; N432-A436 PolarHBondContact O-N 3.16Å; L433-A436 PolarHBondContact O-N 2.72Å; L434-A436 VanDerWaalsContact C-N 3.34Å; L434-A436 PolarHBondContact O-N 3.28Å; A436-I438 VanDerWaalsContact C-N 3.31Å; A436-I438 PolarHBondContact O-N 3.41Å; A436-D439 PolarHBondContact O-N 3.46Å; A436-T440 WeakPolarHBondContact O-CB 3.39Å; A436-T440 PolarHBondContact O-N 3.26Å; A436-T440 PolarHBondContact O-OG1 3.44Å; A436-T440 VanDerWaalsContact O-OG1 3.09Å
437A97.9Very high96.7Very high21 Ų2133.2 Ų33.217%0.17419%0.193CC..Hα-helixtrans-60.5-38.317900000112.9L433 L434 R441 V585L433-A437 WeakPolarHBondContact O-CB 3.42Å; L433-A437 PolarHBondContact O-N 2.75Å; L434-A437 PolarHBondContact O-N 3.33Å; A437-R441 WeakPolarHBondContact O-CB 3.29Å; A437-R441 PolarHBondContact O-N 3.05Å; A437-V585 HydrophobicContact CB-CG1 3.63Å
438I97.6Very high96.5Very high0 Ų034.7 Ų34.70%020%0.2CC..Hα-helixtrans-59.2-53.2174.4-65.7161.6000110.4L434 A435 A436 R441 I442 I501 I506 W508 V569 L583L434-I438 WeakPolarHBondContact O-CG1 3.43Å; L434-I438 PolarHBondContact O-N 2.94Å; L434-I438 VanDerWaalsContact O-N 3.09Å; A435-I438 PolarHBondContact O-N 3.46Å; A436-I438 VanDerWaalsContact C-N 3.31Å; A436-I438 PolarHBondContact O-N 3.41Å; I438-R441 PolarHBondContact O-N 3.36Å; I438-I442 HydrophobicContact CG2-CD1 3.89Å; I438-I442 WeakPolarHBondContact O-CG1 3.22Å; I438-I442 PolarHBondContact O-N 3.36Å; I438-I501 HydrophobicContact CG2-CD1 4.47Å; I438-I506 HydrophobicContact CG2-CD1 4.14Å; I438-W508 HydrophobicContact CD1-CB 3.56Å; I438-W508 HydrophobicContact CD1-CG 3.87Å; I438-V569 HydrophobicContact CD1-CB 3.65Å; I438-V569 HydrophobicContact CD1-CG1 3.9Å; I438-V569 HydrophobicContact CD1-CG2 4.08Å; I438-V569 HydrophobicContact CG1-CB 4.2Å; I438-V569 HydrophobicContact CG1-CG1 4.48Å; I438-V569 HydrophobicContact CG1-CG2 4.07Å; I438-L583 HydrophobicContact CG1-CD1 3.64Å
439D96.1Very high96.4Very high32 Ų3238.1 Ų38.117%0.17122%0.221CC..Hα-helixtrans-66.5-42.4-175.5-66.5-37.9000111.5A435 A436 R441 I442 L443 R510 I524 R535A435-D439 PolarHBondContact O-N 3.41Å; A436-D439 PolarHBondContact O-N 3.46Å; D439-R441 VanDerWaalsContact C-N 3.33Å; D439-R441 PolarHBondContact O-N 3.1Å; D439-I442 PolarHBondContact O-N 3.09Å; D439-L443 WeakPolarHBondContact O-CB 3.35Å; D439-L443 PolarHBondContact O-N 3.48Å; D439-R510 IonicContact OD2-CZ 2.71Å; D439-R510 VanDerWaalsContact OD2-CZ 3.25Å; D439-R510 IonicContact OD2-NH1 3.1Å; D439-R510 PolarHBondContact OD2-NH1 2.98Å; D439-R510 IonicContact OD2-NH2 2.8Å; D439-R510 PolarHBondContact OD2-NH2 2.9Å; D439-I524 VanDerWaalsContact OD2-CD1 3.25Å; D439-I524 WeakPolarHBondContact OD2-CD1 3.2Å; D439-R535 IonicContact OD1-CZ 3.07Å; D439-R535 IonicContact OD1-NE 3.16Å; D439-R535 PolarHBondContact OD1-NE 2.91Å; D439-R535 IonicContact OD1-NH2 3.35Å; D439-R535 PolarHBondContact OD1-NH2 3.27Å; D439-R535 IonicContact OD2-NH2 3.53Å; D439-R535 PolarHBondContact OD2-NH2 2.77Å
440T95.1Very high96.3Very high72 Ų7238.3 Ų38.344%0.44222%0.216SC..Hα-helixtrans-60.6-41.6174-64.30000111.6A436 L443 H444A436-T440 WeakPolarHBondContact O-CB 3.39Å; A436-T440 PolarHBondContact O-N 3.26Å; A436-T440 PolarHBondContact O-OG1 3.44Å; A436-T440 VanDerWaalsContact O-OG1 3.09Å; T440-L443 PolarHBondContact O-N 3.24Å; T440-H444 VanDerWaalsContact CG2-CD2 3.49Å; T440-H444 WeakPolarHBondContact CG2-CD2 3.47Å; T440-H444 PolarHBondContact O-CD2 2.83Å; T440-H444 PolarHBondContact O-N 3.06Å
441R95.6Very high96.1Very high25 Ų2545.7 Ų45.79%0.09425%0.248CC..Hα-helixtrans-64.2-46.6178.6-174.857.9174.4-108.31.6111.5A437 I438 D439 L443 H444 E445 A497 L499 L583A437-R441 WeakPolarHBondContact O-CB 3.29Å; A437-R441 PolarHBondContact O-N 3.05Å; I438-R441 PolarHBondContact O-N 3.36Å; D439-R441 VanDerWaalsContact C-N 3.33Å; D439-R441 PolarHBondContact O-N 3.1Å; R441-L443 VanDerWaalsContact C-N 3.34Å; R441-L443 PolarHBondContact O-N 3.09Å; R441-H444 PolarHBondContact O-N 3.5Å; R441-E445 WeakPolarHBondContact CD-OE1 3.49Å; R441-E445 IonicContact CZ-OE1 3.87Å; R441-E445 IonicContact NE-OE1 3.7Å; R441-E445 PolarHBondContact NE-OE1 2.9Å; R441-E445 IonicContact NH2-OE1 3.29Å; R441-E445 WeakPolarHBondContact O-CB 3.17Å; R441-E445 WeakPolarHBondContact O-CG 3.47Å; R441-E445 PolarHBondContact O-N 3.27Å; R441-A497 PolarHBondContact NH2-O 2.79Å; R441-L499 HydrophobicContact CG-CD1 3.88Å; R441-L499 HydrophobicContact CG-CG 4.15Å; R441-L583 HydrophobicContact CB-CD2 3.69Å; R441-L583 HydrophobicContact CG-CD2 3.87Å
442I95Very high95.9Very high26 Ų2646.8 Ų46.813%0.13326%0.257CS..Hα-helixtrans-59.2-45.5176.7-67.8167000110.9I438 D439 E445 N446 I501 I506I438-I442 HydrophobicContact CG2-CD1 3.89Å; I438-I442 WeakPolarHBondContact O-CG1 3.22Å; I438-I442 PolarHBondContact O-N 3.36Å; D439-I442 PolarHBondContact O-N 3.09Å; I442-E445 PolarHBondContact O-N 3.21Å; I442-N446 WeakPolarHBondContact CG2-ND2 3.45Å; I442-N446 WeakPolarHBondContact O-CB 3.49Å; I442-N446 VanDerWaalsContact O-CG 3.28Å; I442-N446 PolarHBondContact O-N 3.38Å; I442-N446 PolarHBondContact O-ND2 3.27Å; I442-N446 VanDerWaalsContact O-ND2 3.11Å; I442-I501 HydrophobicContact CD1-CB 4.44Å; I442-I501 HydrophobicContact CD1-CG2 3.99Å; I442-I501 HydrophobicContact CG1-CB 4.17Å; I442-I501 HydrophobicContact CG1-CD1 4.18Å; I442-I501 HydrophobicContact CG1-CG2 4.27Å; I442-I506 HydrophobicContact CD1-CD1 3.76Å
443L94.6Very high95.8Very high38 Ų3845.1 Ų45.120%0.19925%0.248CC..Hα-helixtrans-59.5-50.6178.617765.2000111.7D439 T440 R441 N446 T447 H533D439-L443 WeakPolarHBondContact O-CB 3.35Å; D439-L443 PolarHBondContact O-N 3.48Å; T440-L443 PolarHBondContact O-N 3.24Å; R441-L443 VanDerWaalsContact C-N 3.34Å; R441-L443 PolarHBondContact O-N 3.09Å; L443-N446 PolarHBondContact O-N 2.87Å; L443-T447 HydrophobicContact CD1-CG2 4.09Å; L443-T447 WeakPolarHBondContact O-CB 3.35Å; L443-T447 WeakPolarHBondContact O-CG2 3.49Å; L443-T447 PolarHBondContact O-N 2.84Å; L443-T447 VanDerWaalsContact O-N 3.16Å; L443-T447 PolarHBondContact O-OG1 3.28Å; L443-H533 HydrophobicContact CD1-CB 4.15Å; L443-H533 VanDerWaalsContact CD1-CD2 3.49Å; L443-H533 WeakPolarHBondContact CD1-CD2 3.27Å
444H94.1Very high95.7Very high77 Ų7742.5 Ų42.536%0.35623%0.234SC..Hα-helixtrans-69.7-32.9-177.1-71.4-33.9000113.2T440 R441 Q448 L453T440-H444 VanDerWaalsContact CG2-CD2 3.49Å; T440-H444 WeakPolarHBondContact CG2-CD2 3.47Å; T440-H444 PolarHBondContact O-CD2 2.83Å; T440-H444 PolarHBondContact O-N 3.06Å; R441-H444 PolarHBondContact O-N 3.5Å; H444-Q448 PolarHBondContact ND1-NE2 3.2Å; H444-Q448 WeakPolarHBondContact O-CB 3.33Å; H444-Q448 WeakPolarHBondContact O-CG 3.24Å; H444-Q448 PolarHBondContact O-N 2.89Å; H444-L453 HydrophobicContact CB-CD1 4.11Å
445E94.8Very high95.5Very high10 Ų1045.4 Ų45.45%0.04725%0.249CC..Hα-helixtrans-63.1-50.1169.7-77-173.3-152.300110.5R441 I442 T447 L453 R498 L499 D500R441-E445 WeakPolarHBondContact CD-OE1 3.49Å; R441-E445 IonicContact CZ-OE1 3.87Å; R441-E445 IonicContact NE-OE1 3.7Å; R441-E445 PolarHBondContact NE-OE1 2.9Å; R441-E445 IonicContact NH2-OE1 3.29Å; R441-E445 WeakPolarHBondContact O-CB 3.17Å; R441-E445 WeakPolarHBondContact O-CG 3.47Å; R441-E445 PolarHBondContact O-N 3.27Å; I442-E445 PolarHBondContact O-N 3.21Å; E445-T447 PolarHBondContact O-N 3.44Å; E445-T447 VanDerWaalsContact O-N 3.09Å; E445-L453 HydrophobicContact CG-CD2 3.71Å; E445-R498 VanDerWaalsContact CB-NH1 3.31Å; E445-R498 PolarHBondContact O-NH1 3.46Å; E445-L499 WeakPolarHBondContact OE1-CB 3.44Å; E445-L499 PolarHBondContact OE1-N 2.7Å; E445-L499 PolarHBondContact OE2-N 3.26Å; E445-D500 PolarHBondContact OE2-N 3.02Å
446N92.1Very high95.3Very high97 Ų9753 Ų5352%0.51928%0.278SS..Hα-helixtrans-67.7-16.8-175.9-69.8-31.8000114.8I442 L443I442-N446 WeakPolarHBondContact CG2-ND2 3.45Å; I442-N446 WeakPolarHBondContact O-CB 3.49Å; I442-N446 VanDerWaalsContact O-CG 3.28Å; I442-N446 PolarHBondContact O-N 3.38Å; I442-N446 PolarHBondContact O-ND2 3.27Å; I442-N446 VanDerWaalsContact O-ND2 3.11Å; L443-N446 PolarHBondContact O-N 2.87Å
447T92.7Very high95.1Very high78 Ų7853.5 Ų53.548%0.47928%0.275SS..Hα-helixtrans-111.5-4.2-171.754.40000114.6L443 E445L443-T447 HydrophobicContact CD1-CG2 4.09Å; L443-T447 WeakPolarHBondContact O-CB 3.35Å; L443-T447 WeakPolarHBondContact O-CG2 3.49Å; L443-T447 PolarHBondContact O-N 2.84Å; L443-T447 VanDerWaalsContact O-N 3.16Å; L443-T447 PolarHBondContact O-OG1 3.28Å; E445-T447 PolarHBondContact O-N 3.44Å; E445-T447 VanDerWaalsContact O-N 3.09Å
448Q95Very high95Very high32 Ų3252.5 Ų52.515%0.1527%0.267CS..SBendtrans-129.7153.4-173.4-57.8179.636.100112.1H444 L453 R498H444-Q448 PolarHBondContact ND1-NE2 3.2Å; H444-Q448 WeakPolarHBondContact O-CB 3.33Å; H444-Q448 WeakPolarHBondContact O-CG 3.24Å; H444-Q448 PolarHBondContact O-N 2.89Å; Q448-L453 HydrophobicContact CB-CB 4.27Å; Q448-R498 PolarHBondContact O-NH2 3.31Å
449T96.3Very high94.8Very high95 Ų9555.8 Ų55.858%0.58329%0.288SS*.  trans-75.6157167.563.70000110.5K451 A452 L453T449-K451 VanDerWaalsContact C-N 3.3Å; T449-K451 PolarHBondContact O-N 3.44Å; T449-A452 PolarHBondContact O-N 3.03Å; T449-A452 WeakPolarHBondContact OG1-CB 3.45Å; T449-A452 PolarHBondContact OG1-N 3.48Å; T449-L453 WeakPolarHBondContact O-CB 3.35Å; T449-L453 PolarHBondContact O-N 2.7Å
450D95.9Very high94.6Very high49 Ų4959.3 Ų59.326%0.26231%0.307SS..Hα-helixtrans-56.3-44.6-177.5-66.44.9000112A452 L453 Y454 S494 R498D450-A452 PolarHBondContact O-N 3.26Å; D450-L453 PolarHBondContact O-N 2.72Å; D450-Y454 VanDerWaalsContact O-CB 3.24Å; D450-Y454 WeakPolarHBondContact O-CB 3.41Å; D450-Y454 PolarHBondContact O-N 3.47Å; D450-S494 WeakPolarHBondContact OD2-CB 3.17Å; D450-S494 PolarHBondContact OD2-OG 3Å; D450-R498 IonicContact OD1-CZ 3.95Å; D450-R498 IonicContact OD1-NE 2.71Å; D450-R498 PolarHBondContact OD1-NE 2.96Å; D450-R498 IonicContact OD1-NH2 2.61Å; D450-R498 PolarHBondContact OD1-NH2 3.44Å
451K93.7Very high94.4Very high156 Ų15660.2 Ų60.268%0.67831%0.311SS*.Hα-helixtrans-61.5-43.1176.6-173.5173.2-176.2171.30112.2T449 N455T449-K451 VanDerWaalsContact C-N 3.3Å; T449-K451 PolarHBondContact O-N 3.44Å; K451-N455 VanDerWaalsContact O-CB 3.3Å; K451-N455 WeakPolarHBondContact O-CB 3.48Å; K451-N455 PolarHBondContact O-N 3.24Å; K451-N455 PolarHBondContact O-ND2 3.35Å
452A95.8Very high94.1Very high27 Ų2766.8 Ų66.822%0.22335%0.349CS..Hα-helixtrans-69.3-40.3179.900000111.7T449 D450 N455 R456T449-A452 PolarHBondContact O-N 3.03Å; T449-A452 WeakPolarHBondContact OG1-CB 3.45Å; T449-A452 PolarHBondContact OG1-N 3.48Å; D450-A452 PolarHBondContact O-N 3.26Å; A452-N455 PolarHBondContact O-N 2.94Å; A452-R456 WeakPolarHBondContact O-CG 3.43Å; A452-R456 PolarHBondContact O-N 3.08Å
453L96.2Very high93.8Very high6 Ų668.3 Ų68.33%0.03137%0.371CS..Hα-helixtrans-65.5-49176.9-177.960.6000111.1H444 E445 Q448 T449 D450 N455 R456 L457 A497H444-L453 HydrophobicContact CB-CD1 4.11Å; E445-L453 HydrophobicContact CG-CD2 3.71Å; Q448-L453 HydrophobicContact CB-CB 4.27Å; T449-L453 WeakPolarHBondContact O-CB 3.35Å; T449-L453 PolarHBondContact O-N 2.7Å; D450-L453 PolarHBondContact O-N 2.72Å; L453-N455 VanDerWaalsContact C-N 3.29Å; L453-N455 PolarHBondContact O-N 3.49Å; L453-R456 PolarHBondContact O-N 2.91Å; L453-R456 VanDerWaalsContact O-N 3.07Å; L453-L457 HydrophobicContact CD1-CD1 4.34Å; L453-L457 HydrophobicContact CD1-CG 4.35Å; L453-L457 HydrophobicContact CG-CD1 3.97Å; L453-L457 HydrophobicContact CG-CG 4.41Å; L453-L457 WeakPolarHBondContact O-CG 3.13Å; L453-L457 PolarHBondContact O-N 2.65Å; L453-A497 HydrophobicContact CD2-CB 4.2Å; L453-A497 VanDerWaalsContact CD2-O 3.29Å; L453-A497 WeakPolarHBondContact CD2-O 3.23Å; L453-A497 HydrophobicContact CG-CB 4.32Å
454Y95.8Very high93.5Very high13 Ų1370.2 Ų70.25%0.05138%0.384CS..Hα-helixtrans-54.9-46.2174.9-178.7-103.8000112.1D450 R456 L457 V458 F467 P485 L488 V493 F496D450-Y454 VanDerWaalsContact O-CB 3.24Å; D450-Y454 WeakPolarHBondContact O-CB 3.41Å; D450-Y454 PolarHBondContact O-N 3.47Å; Y454-R456 PolarHBondContact O-N 3.28Å; Y454-R456 VanDerWaalsContact O-N 3.17Å; Y454-L457 PolarHBondContact O-N 2.81Å; Y454-L457 VanDerWaalsContact O-N 3.14Å; Y454-V458 HydrophobicContact CD2-CG2 4.28Å; Y454-V458 HydrophobicContact CE2-CG2 3.88Å; Y454-V458 PolarHBondContact O-N 3.28Å; Y454-F467 HydrophobicContact CE2-CE1 4.25Å; Y454-F467 HydrophobicContact CE2-CZ 4.42Å; Y454-F467 WeakPolarHBondContact OH-CZ 3.42Å; Y454-P485 VanDerWaalsContact OH-CA 3.25Å; Y454-P485 WeakPolarHBondContact OH-CA 3.36Å; Y454-P485 WeakPolarHBondContact OH-CB 3.26Å; Y454-P485 PolarHBondContact OH-O 2.9Å; Y454-L488 HydrophobicContact CE2-CD2 4.33Å; Y454-V493 HydrophobicContact CD1-CG1 4.2Å; Y454-V493 HydrophobicContact CD1-CG2 4.37Å; Y454-V493 HydrophobicContact CD2-CB 4.49Å; Y454-V493 HydrophobicContact CD2-CG1 3.88Å; Y454-V493 HydrophobicContact CD2-CG2 4.32Å; Y454-V493 HydrophobicContact CE1-CG2 4.3Å; Y454-V493 HydrophobicContact CE2-CG2 4.27Å; Y454-V493 HydrophobicContact CG-CG1 3.63Å; Y454-V493 HydrophobicContact CG-CG2 4.36Å; Y454-F496 AromaticContact CD2-CD1 3.73Å; Y454-F496 HydrophobicContact CD2-CD1 3.73Å; Y454-F496 HydrophobicContact CD2-CE1 4.07Å; Y454-F496 AromaticContact CE2-CD1 3.75Å; Y454-F496 HydrophobicContact CE2-CD1 3.75Å; Y454-F496 AromaticContact CE2-CE1 3.98Å; Y454-F496 HydrophobicContact CE2-CE1 3.98Å
455N94.4Very high93.5Very high60 Ų6070 Ų7032%0.32138%0.38SS..Hα-helixtrans-60.5-28.6179.9-78.4-19.9000113.4K451 A452 L453 P459 R465K451-N455 VanDerWaalsContact O-CB 3.3Å; K451-N455 WeakPolarHBondContact O-CB 3.48Å; K451-N455 PolarHBondContact O-N 3.24Å; K451-N455 PolarHBondContact O-ND2 3.35Å; A452-N455 PolarHBondContact O-N 2.94Å; L453-N455 VanDerWaalsContact C-N 3.29Å; L453-N455 PolarHBondContact O-N 3.49Å; N455-P459 WeakPolarHBondContact O-CA 3.48Å; N455-R465 PolarHBondContact O-NH1 3.37Å; N455-R465 VanDerWaalsContact O-NH1 3.14Å; N455-R465 PolarHBondContact OD1-NH1 3.18Å; N455-R465 PolarHBondContact OD1-NH2 3.15Å
456R95Very high93.4Very high160 Ų16076.5 Ų76.560%0.60441%0.41SS*.Hα-helixtrans-86.2-33.9176.1-69.6-179.2178.699.60.2112.8A452 L453 Y454 V458A452-R456 WeakPolarHBondContact O-CG 3.43Å; A452-R456 PolarHBondContact O-N 3.08Å; L453-R456 PolarHBondContact O-N 2.91Å; L453-R456 VanDerWaalsContact O-N 3.07Å; Y454-R456 PolarHBondContact O-N 3.28Å; Y454-R456 VanDerWaalsContact O-N 3.17Å; R456-V458 VanDerWaalsContact C-N 3.34Å
457L94.5Very high93.6Very high49 Ų4972.9 Ų72.926%0.25739%0.39SS..Hα-helixtrans-69.1-33.4175.5-71.4173.4000112L453 Y454 P459 Q471 A497L453-L457 HydrophobicContact CD1-CD1 4.34Å; L453-L457 HydrophobicContact CD1-CG 4.35Å; L453-L457 HydrophobicContact CG-CD1 3.97Å; L453-L457 HydrophobicContact CG-CG 4.41Å; L453-L457 WeakPolarHBondContact O-CG 3.13Å; L453-L457 PolarHBondContact O-N 2.65Å; Y454-L457 PolarHBondContact O-N 2.81Å; Y454-L457 VanDerWaalsContact O-N 3.14Å; L457-P459 WeakPolarHBondContact O-CD 3.3Å; L457-Q471 PolarHBondContact O-NE2 3.11Å; L457-A497 HydrophobicContact CD1-CB 4.16Å
458V95.2Very high93.7Very high0 Ų071.8 Ų71.80%039%0.386CS..SBendtrans-12567.1-178.5-165.50000109.1Y454 R456 R465 F467 P485 F496Y454-V458 HydrophobicContact CD2-CG2 4.28Å; Y454-V458 HydrophobicContact CE2-CG2 3.88Å; Y454-V458 PolarHBondContact O-N 3.28Å; R456-V458 VanDerWaalsContact C-N 3.34Å; V458-R465 HydrophobicContact CG1-CB 4.21Å; V458-R465 PolarHBondContact O-NH1 3.41Å; V458-F467 HydrophobicContact CG1-CD1 4.08Å; V458-F467 HydrophobicContact CG1-CE1 4.18Å; V458-F467 HydrophobicContact CG2-CD1 3.93Å; V458-F467 HydrophobicContact CG2-CE1 3.66Å; V458-P485 HydrophobicContact CG1-CB 3.94Å; V458-P485 HydrophobicContact CG1-CG 3.86Å; V458-F496 HydrophobicContact CG2-CE1 3.82Å; V458-F496 HydrophobicContact CG2-CZ 4.21Å
459P93.9Very high93.6Very high70 Ų7078 Ų7846%0.45542%0.415SS..  trans-62.8156-169.128.2-35.8000112.8N455 L457 V461N455-P459 WeakPolarHBondContact O-CA 3.48Å; L457-P459 WeakPolarHBondContact O-CD 3.3Å; P459-V461 HydrophobicContact CG-CG2 4.3Å; P459-V461 PolarHBondContact O-N 2.94Å
460L92.2Very high93.6Very high106 Ų10675.3 Ų75.356%0.55540%0.397SS*.  trans-82.1111170.7-168.578.1000108.4G463 R465L460-G463 VanDerWaalsContact CD1-C 3.42Å; L460-G463 WeakPolarHBondContact CD1-O 3.45Å; L460-R465 HydrophobicContact CB-CG 4.36Å; L460-R465 HydrophobicContact CD1-CG 3.77Å
461V89.4Confident93.5Very high90 Ų9074.5 Ų74.555%0.54539%0.391SS..BIsolated β-bridgetrans-115.4122.2177.6-177.20000107.8P459 G463 V464P459-V461 HydrophobicContact CG-CG2 4.3Å; P459-V461 PolarHBondContact O-N 2.94Å; V461-G463 PolarHBondContact O-N 3.34Å; V461-G463 VanDerWaalsContact O-N 3.12Å; V461-V464 PolarHBondContact N-O 2.93Å; V461-V464 PolarHBondContact O-N 3.34Å
462N89.6Confident93.6Very high163 Ų16370.1 Ų70.187%0.87238%0.375SS*.THydrogen-bonded Turntrans51.135.1-175.7-59.4-28.5000114V464N462-V464 VanDerWaalsContact C-N 3.31Å; N462-V464 PolarHBondContact O-N 3.47Å
463G88.1Confident93.5Very high59 Ų5971.2 Ų71.261%0.60838%0.384SS*.THydrogen-bonded Turntrans81.81.5179.200000115.3L460 V461L460-G463 VanDerWaalsContact CD1-C 3.42Å; L460-G463 WeakPolarHBondContact CD1-O 3.45Å; V461-G463 PolarHBondContact O-N 3.34Å; V461-G463 VanDerWaalsContact O-N 3.12Å
464V89.6Confident93.4Very high77 Ų7772.1 Ų72.147%0.46739%0.387SS..BIsolated β-bridgetrans-117.8138.2-179.9-169.20000110.1V461 N462 E466V461-V464 PolarHBondContact N-O 2.93Å; V461-V464 PolarHBondContact O-N 3.34Å; N462-V464 VanDerWaalsContact C-N 3.31Å; N462-V464 PolarHBondContact O-N 3.47Å; V464-E466 HydrophobicContact CG1-CG 3.73Å
465R92.4Very high93.4Very high72 Ų7271.6 Ų71.627%0.27239%0.385SS..  trans-103.2129.4165.9-69-171.9-171.4-95.90.7107.8N455 V458 L460 P485N455-R465 PolarHBondContact O-NH1 3.37Å; N455-R465 VanDerWaalsContact O-NH1 3.14Å; N455-R465 PolarHBondContact OD1-NH1 3.18Å; N455-R465 PolarHBondContact OD1-NH2 3.15Å; V458-R465 HydrophobicContact CG1-CB 4.21Å; V458-R465 PolarHBondContact O-NH1 3.41Å; L460-R465 HydrophobicContact CB-CG 4.36Å; L460-R465 HydrophobicContact CD1-CG 3.77Å; R465-P485 HydrophobicContact CB-CB 3.85Å; R465-P485 HydrophobicContact CB-CG 3.98Å; R465-P485 WeakPolarHBondContact O-CG 3.47Å
466E94.4Very high93.4Very high147 Ų14776.6 Ų76.669%0.68740%0.404SS*.  trans-132.9141.3176.4-62-174.2159.700109.7V464V464-E466 HydrophobicContact CG1-CG 3.73Å
467F95.4Very high93.3Very high21 Ų2174.4 Ų74.49%0.09240%0.399CS..  trans-78.5132168.3-68.3-59.8000109.8Y454 V458 Q471 L472 L475 T483 P485 L488 F496Y454-F467 HydrophobicContact CE2-CE1 4.25Å; Y454-F467 HydrophobicContact CE2-CZ 4.42Å; Y454-F467 WeakPolarHBondContact OH-CZ 3.42Å; V458-F467 HydrophobicContact CG1-CD1 4.08Å; V458-F467 HydrophobicContact CG1-CE1 4.18Å; V458-F467 HydrophobicContact CG2-CD1 3.93Å; V458-F467 HydrophobicContact CG2-CE1 3.66Å; F467-Q471 HydrophobicContact CB-CB 4.12Å; F467-Q471 HydrophobicContact CD1-CB 3.95Å; F467-Q471 HydrophobicContact CG-CB 4.43Å; F467-L472 HydrophobicContact CB-CD2 3.71Å; F467-L472 HydrophobicContact CB-CG 3.81Å; F467-L472 HydrophobicContact CD2-CD2 4.06Å; F467-L472 HydrophobicContact CG-CD2 4.24Å; F467-L475 HydrophobicContact CD1-CD1 4.26Å; F467-L475 HydrophobicContact CD2-CD1 3.69Å; F467-L475 HydrophobicContact CE1-CD1 4.1Å; F467-L475 HydrophobicContact CE2-CD1 3.54Å; F467-L475 HydrophobicContact CG-CD1 4.06Å; F467-L475 HydrophobicContact CZ-CD1 3.75Å; F467-T483 WeakPolarHBondContact CD2-O 3.3Å; F467-P485 HydrophobicContact CD1-CG 4.24Å; F467-P485 HydrophobicContact CD2-CG 3.68Å; F467-P485 HydrophobicContact CE1-CB 4.32Å; F467-P485 HydrophobicContact CE1-CG 4.2Å; F467-P485 HydrophobicContact CE2-CB 3.98Å; F467-P485 HydrophobicContact CE2-CG 3.6Å; F467-P485 HydrophobicContact CG-CG 3.99Å; F467-P485 HydrophobicContact CZ-CB 3.87Å; F467-P485 HydrophobicContact CZ-CG 3.88Å; F467-L488 HydrophobicContact CE2-CD1 3.75Å; F467-L488 HydrophobicContact CZ-CD1 3.58Å; F467-L488 HydrophobicContact CZ-CD2 4.12Å; F467-F496 HydrophobicContact CD1-CZ 4.17Å; F467-F496 HydrophobicContact CE1-CE1 4.19Å; F467-F496 HydrophobicContact CE1-CE2 4.27Å; F467-F496 AromaticContact CE1-CZ 3.91Å; F467-F496 HydrophobicContact CE1-CZ 3.91Å
468S94.7Very high93.2Very high56 Ų5675 Ų7539%0.39240%0.402SS..  trans-67.9160.5164.859.10000111.3I470 Q471 L472S468-I470 PolarHBondContact O-N 2.91Å; S468-I470 VanDerWaalsContact O-N 3.16Å; S468-Q471 WeakPolarHBondContact O-CB 3.32Å; S468-Q471 PolarHBondContact O-N 2.87Å; S468-Q471 VanDerWaalsContact OG-CD 3.25Å; S468-Q471 VanDerWaalsContact OG-CG 3.28Å; S468-Q471 WeakPolarHBondContact OG-CG 3.44Å; S468-Q471 PolarHBondContact OG-OE1 3Å; S468-L472 PolarHBondContact O-N 2.72Å
469E93.4Very high93.2Very high161 Ų16177.8 Ų77.875%0.75243%0.431SS*.Hα-helixtrans-53-39.4179.3-66.2-172.7157.900113.2Q471 L472 A473E469-Q471 VanDerWaalsContact C-N 3.34Å; E469-Q471 PolarHBondContact O-N 2.87Å; E469-L472 PolarHBondContact O-N 3.32Å; E469-A473 PolarHBondContact O-N 2.78Å
470I95Very high93.3Very high40 Ų4075.1 Ų75.121%0.20541%0.412CS..Hα-helixtrans-70.5-31.1179.8-164.3156.3000112.3S468 A473 R474S468-I470 PolarHBondContact O-N 2.91Å; S468-I470 VanDerWaalsContact O-N 3.16Å; I470-A473 PolarHBondContact O-N 3Å; I470-R474 PolarHBondContact O-N 3.42Å; I470-R474 VanDerWaalsContact O-N 3.1Å
471Q95.8Very high93.3Very high32 Ų3277.1 Ų77.115%0.1542%0.423CS..Hα-helixtrans-73-38.7174.3-69.5170.6-41.700111.3L457 F467 S468 E469 A473 R474 L475 F496L457-Q471 PolarHBondContact O-NE2 3.11Å; F467-Q471 HydrophobicContact CB-CB 4.12Å; F467-Q471 HydrophobicContact CD1-CB 3.95Å; F467-Q471 HydrophobicContact CG-CB 4.43Å; S468-Q471 WeakPolarHBondContact O-CB 3.32Å; S468-Q471 PolarHBondContact O-N 2.87Å; S468-Q471 VanDerWaalsContact OG-CD 3.25Å; S468-Q471 VanDerWaalsContact OG-CG 3.28Å; S468-Q471 WeakPolarHBondContact OG-CG 3.44Å; S468-Q471 PolarHBondContact OG-OE1 3Å; E469-Q471 VanDerWaalsContact C-N 3.34Å; E469-Q471 PolarHBondContact O-N 2.87Å; Q471-A473 VanDerWaalsContact C-N 3.31Å; Q471-A473 PolarHBondContact O-N 3.18Å; Q471-R474 WeakPolarHBondContact O-CB 3.22Å; Q471-R474 PolarHBondContact O-N 3.11Å; Q471-L475 WeakPolarHBondContact O-CG 3.31Å; Q471-L475 PolarHBondContact O-N 3.33Å; Q471-F496 HydrophobicContact CB-CE2 3.95Å; Q471-F496 HydrophobicContact CB-CZ 3.86Å; Q471-F496 HydrophobicContact CG-CE2 4.3Å; Q471-F496 HydrophobicContact CG-CZ 3.82Å
472L95.3Very high93.5Very high63 Ų6376 Ų7633%0.3341%0.411SS..Hα-helixtrans-60.7-41.4171.4-67.4173.7000111.4F467 S468 E469 R474 L475 K476 T483F467-L472 HydrophobicContact CB-CD2 3.71Å; F467-L472 HydrophobicContact CB-CG 3.81Å; F467-L472 HydrophobicContact CD2-CD2 4.06Å; F467-L472 HydrophobicContact CG-CD2 4.24Å; S468-L472 PolarHBondContact O-N 2.72Å; E469-L472 PolarHBondContact O-N 3.32Å; L472-R474 VanDerWaalsContact C-N 3.32Å; L472-R474 PolarHBondContact O-N 3.27Å; L472-L475 HydrophobicContact CD2-CD1 4.37Å; L472-L475 PolarHBondContact O-N 3.41Å; L472-K476 PolarHBondContact O-N 3.08Å; L472-T483 HydrophobicContact CD2-CG2 4.12Å
473A93.4Very high93.7Very high51 Ų5173.2 Ų73.242%0.42140%0.4SS..Hα-helixtrans-60.7-40.7174.500000112.2E469 I470 Q471 K476 K477E469-A473 PolarHBondContact O-N 2.78Å; I470-A473 PolarHBondContact O-N 3Å; Q471-A473 VanDerWaalsContact C-N 3.31Å; Q471-A473 PolarHBondContact O-N 3.18Å; A473-K476 PolarHBondContact O-N 2.88Å; A473-K477 PolarHBondContact O-N 3.32Å
474R94.4Very high93.9Very high25 Ų2574 Ų749%0.09439%0.391CS..Hα-helixtrans-63.5-45.2173.7178.9173.3175.569.16.2112.4I470 Q471 L472 K476 K477 L478 K495 F496 R498 D582I470-R474 PolarHBondContact O-N 3.42Å; I470-R474 VanDerWaalsContact O-N 3.1Å; Q471-R474 WeakPolarHBondContact O-CB 3.22Å; Q471-R474 PolarHBondContact O-N 3.11Å; L472-R474 VanDerWaalsContact C-N 3.32Å; L472-R474 PolarHBondContact O-N 3.27Å; R474-K476 VanDerWaalsContact C-N 3.29Å; R474-K476 PolarHBondContact O-N 2.83Å; R474-K477 WeakPolarHBondContact O-CB 3.35Å; R474-K477 PolarHBondContact O-N 3.12Å; R474-K477 VanDerWaalsContact O-N 3.11Å; R474-L478 HydrophobicContact CG-CD1 4.06Å; R474-L478 HydrophobicContact CG-CG 4.47Å; R474-L478 WeakPolarHBondContact O-CG 3.41Å; R474-L478 PolarHBondContact O-N 3.42Å; R474-K495 PolarHBondContact NH2-O 2.89Å; R474-F496 HydrophobicContact CB-CE2 4.49Å; R474-F496 HydrophobicContact CG-CD2 4.3Å; R474-F496 HydrophobicContact CG-CE2 4.46Å; R474-F496 PolarHBondContact NE-O 2.71Å; R474-F496 PolarHBondContact NH2-O 2.95Å; R474-R498 PolarHBondContact NH2-O 2.7Å; R474-D582 IonicContact NH1-OD1 3.86Å; R474-D582 PolarHBondContact NH1-OD1 3.03Å
475L95.3Very high94.1Very high2 Ų270.7 Ų70.71%0.0137%0.371CS..Hα-helixtrans-58-44.2176.8-71.5168.2000111.2F467 Q471 L472 K477 L478 G479 I480 L488 F496F467-L475 HydrophobicContact CD1-CD1 4.26Å; F467-L475 HydrophobicContact CD2-CD1 3.69Å; F467-L475 HydrophobicContact CE1-CD1 4.1Å; F467-L475 HydrophobicContact CE2-CD1 3.54Å; F467-L475 HydrophobicContact CG-CD1 4.06Å; F467-L475 HydrophobicContact CZ-CD1 3.75Å; Q471-L475 WeakPolarHBondContact O-CG 3.31Å; Q471-L475 PolarHBondContact O-N 3.33Å; L472-L475 HydrophobicContact CD2-CD1 4.37Å; L472-L475 PolarHBondContact O-N 3.41Å; L475-K477 PolarHBondContact O-N 3.48Å; L475-L478 CarbonylContact O-C 3.53Å; L475-L478 WeakPolarHBondContact O-CA 3.46Å; L475-L478 PolarHBondContact O-N 3.21Å; L475-L478 VanDerWaalsContact O-N 3.08Å; L475-G479 PolarHBondContact O-N 3.1Å; L475-G479 VanDerWaalsContact O-N 3.1Å; L475-I480 CarbonylContact C-O 3.55Å; L475-I480 HydrophobicContact CB-CB 4.24Å; L475-I480 HydrophobicContact CD2-CB 3.94Å; L475-I480 HydrophobicContact CD2-CD1 3.91Å; L475-I480 HydrophobicContact CD2-CG2 3.88Å; L475-I480 PolarHBondContact O-N 2.9Å; L475-L488 HydrophobicContact CD2-CD2 3.99Å; L475-F496 HydrophobicContact CD2-CB 4.28Å; L475-F496 HydrophobicContact CD2-CD2 3.54Å; L475-F496 HydrophobicContact CD2-CE2 4.23Å; L475-F496 HydrophobicContact CD2-CG 4.17Å; L475-F496 HydrophobicContact CG-CD2 3.85Å; L475-F496 HydrophobicContact CG-CE2 4.07Å
476K94.4Very high94.1Very high165 Ų16571.8 Ų71.872%0.71739%0.39SS*.Hα-helixtrans-58.8-43.8174-173.6-179.8179.9-179.90112.3L472 A473 R474 L478 G479L472-K476 PolarHBondContact O-N 3.08Å; A473-K476 PolarHBondContact O-N 2.88Å; R474-K476 VanDerWaalsContact C-N 3.29Å; R474-K476 PolarHBondContact O-N 2.83Å; K476-L478 PolarHBondContact O-N 2.93Å; K476-G479 PolarHBondContact O-N 3.39Å; K476-G479 VanDerWaalsContact O-N 3.1Å
477K92.3Very high94Very high113 Ų11367.9 Ų67.949%0.49138%0.376SS..Hα-helixtrans-60.2-35.4174.9-179.2-179.5172.3-1770112.1A473 R474 L475 G479 P577 D582A473-K477 PolarHBondContact O-N 3.32Å; R474-K477 WeakPolarHBondContact O-CB 3.35Å; R474-K477 PolarHBondContact O-N 3.12Å; R474-K477 VanDerWaalsContact O-N 3.11Å; L475-K477 PolarHBondContact O-N 3.48Å; K477-G479 VanDerWaalsContact C-N 3.29Å; K477-G479 PolarHBondContact O-N 2.71Å; K477-P577 PolarHBondContact NZ-O 3.36Å; K477-D582 VanDerWaalsContact NZ-CG 3.29Å; K477-D582 IonicContact NZ-OD1 2.78Å; K477-D582 PolarHBondContact NZ-OD1 2.88Å; K477-D582 VanDerWaalsContact NZ-OD1 3.14Å; K477-D582 IonicContact NZ-OD2 2.94Å; K477-D582 PolarHBondContact NZ-OD2 3.48Å
478L93.7Very high94Very high63 Ų6367.7 Ų67.733%0.3338%0.375SS..THydrogen-bonded Turntrans-81.7-1.9177.6-64.4173000113.8R474 L475 K476 I480 F496R474-L478 HydrophobicContact CG-CD1 4.06Å; R474-L478 HydrophobicContact CG-CG 4.47Å; R474-L478 WeakPolarHBondContact O-CG 3.41Å; R474-L478 PolarHBondContact O-N 3.42Å; L475-L478 CarbonylContact O-C 3.53Å; L475-L478 WeakPolarHBondContact O-CA 3.46Å; L475-L478 PolarHBondContact O-N 3.21Å; L475-L478 VanDerWaalsContact O-N 3.08Å; K476-L478 PolarHBondContact O-N 2.93Å; L478-I480 VanDerWaalsContact C-N 3.33Å; L478-I480 HydrophobicContact CB-CD1 3.98Å; L478-I480 HydrophobicContact CB-CG1 4.18Å; L478-I480 HydrophobicContact CD1-CD1 4.31Å; L478-F496 HydrophobicContact CD1-CB 4.39Å
479G95.1Very high94Very high58 Ų5868.3 Ų68.360%0.59838%0.377SS*.THydrogen-bonded Turntrans74.519.8-176.400000114.3L475 K476 K477L475-G479 PolarHBondContact O-N 3.1Å; L475-G479 VanDerWaalsContact O-N 3.1Å; K476-G479 PolarHBondContact O-N 3.39Å; K476-G479 VanDerWaalsContact O-N 3.1Å; K477-G479 VanDerWaalsContact C-N 3.29Å; K477-G479 PolarHBondContact O-N 2.71Å
480I95.2Very high94.1Very high14 Ų1469.1 Ų69.17%0.07238%0.381CS..  trans-99115.1179.2-56.9167.2000108.6L475 L478 K482 E492L475-I480 CarbonylContact C-O 3.55Å; L475-I480 HydrophobicContact CB-CB 4.24Å; L475-I480 HydrophobicContact CD2-CB 3.94Å; L475-I480 HydrophobicContact CD2-CD1 3.91Å; L475-I480 HydrophobicContact CD2-CG2 3.88Å; L475-I480 PolarHBondContact O-N 2.9Å; L478-I480 VanDerWaalsContact C-N 3.33Å; L478-I480 HydrophobicContact CB-CD1 3.98Å; L478-I480 HydrophobicContact CB-CG1 4.18Å; L478-I480 HydrophobicContact CD1-CD1 4.31Å; I480-K482 HydrophobicContact CG2-CB 4.19Å; I480-K482 HydrophobicContact CG2-CG 4.42Å; I480-E492 HydrophobicContact CD1-CB 3.96Å; I480-E492 HydrophobicContact CD1-CG 4Å; I480-E492 HydrophobicContact CG1-CG 4.2Å; I480-E492 HydrophobicContact CG2-CG 4.49Å
481N92.9Very high94.1Very high147 Ų14773.9 Ų73.979%0.78640%0.402SS*.  trans-92.91.6-176.5-65.1-35.6000114.1
482K93.5Very high94.1Very high66 Ų6674.2 Ų74.229%0.28740%0.404SS..  trans-77.1134.8-179.2-61.7176.3-178.5177.70110.5I480 T487 L488 E492I480-K482 HydrophobicContact CG2-CB 4.19Å; I480-K482 HydrophobicContact CG2-CG 4.42Å; K482-T487 WeakPolarHBondContact CD-O 3.22Å; K482-T487 PolarHBondContact NZ-O 3.12Å; K482-L488 HydrophobicContact CB-CD1 4.45Å; K482-E492 WeakPolarHBondContact CE-OE1 3.38Å; K482-E492 IonicContact NZ-OE1 2.69Å; K482-E492 PolarHBondContact NZ-OE1 3.38Å; K482-E492 IonicContact NZ-OE2 3.25Å; K482-E492 PolarHBondContact NZ-OE2 3.34Å
483T93.3Very high94.1Very high105 Ų10572.1 Ų72.164%0.64439%0.394SS*.  trans-109.4-11.6178.158.40000113.8F467 L472 P485F467-T483 WeakPolarHBondContact CD2-O 3.3Å; L472-T483 HydrophobicContact CD2-CG2 4.12Å; T483-P485 WeakPolarHBondContact O-CD 3.34Å
484D93.2Very high94.2Very high76 Ų7671.5 Ų71.541%0.40639%0.386SS..  trans-92.5115.8174.8178-11.5000109.9S486 T487 L488D484-S486 PolarHBondContact O-N 2.68Å; D484-S486 VanDerWaalsContact O-N 3.08Å; D484-S486 WeakPolarHBondContact OD1-CB 3.44Å; D484-S486 PolarHBondContact OD1-N 2.88Å; D484-S486 PolarHBondContact OD1-OG 2.84Å; D484-S486 PolarHBondContact OD2-OG 3.33Å; D484-S486 VanDerWaalsContact OD2-OG 3.07Å; D484-T487 HydrophobicContact CB-CG2 3.77Å; D484-T487 PolarHBondContact O-N 3.5Å; D484-T487 PolarHBondContact O-OG1 3.19Å; D484-T487 WeakPolarHBondContact OD2-CG2 3.47Å; D484-L488 WeakPolarHBondContact O-CD1 3.47Å
485P93.6Very high94.1Very high7 Ų776.3 Ų76.35%0.04541%0.408CS..THydrogen-bonded Turntrans-55.3-24.3178.9-28.236.8000115.7Y454 V458 R465 F467 T483 T487Y454-P485 VanDerWaalsContact OH-CA 3.25Å; Y454-P485 WeakPolarHBondContact OH-CA 3.36Å; Y454-P485 WeakPolarHBondContact OH-CB 3.26Å; Y454-P485 PolarHBondContact OH-O 2.9Å; V458-P485 HydrophobicContact CG1-CB 3.94Å; V458-P485 HydrophobicContact CG1-CG 3.86Å; R465-P485 HydrophobicContact CB-CB 3.85Å; R465-P485 HydrophobicContact CB-CG 3.98Å; R465-P485 WeakPolarHBondContact O-CG 3.47Å; F467-P485 HydrophobicContact CD1-CG 4.24Å; F467-P485 HydrophobicContact CD2-CG 3.68Å; F467-P485 HydrophobicContact CE1-CB 4.32Å; F467-P485 HydrophobicContact CE1-CG 4.2Å; F467-P485 HydrophobicContact CE2-CB 3.98Å; F467-P485 HydrophobicContact CE2-CG 3.6Å; F467-P485 HydrophobicContact CG-CG 3.99Å; F467-P485 HydrophobicContact CZ-CB 3.87Å; F467-P485 HydrophobicContact CZ-CG 3.88Å; T483-P485 WeakPolarHBondContact O-CD 3.34Å; P485-T487 VanDerWaalsContact C-N 3.33Å
486S90.9Very high94.1Very high96 Ų9676.5 Ų76.567%0.67141%0.409SS*.THydrogen-bonded Turntrans-80.3-15.2-17972.10000113.5D484D484-S486 PolarHBondContact O-N 2.68Å; D484-S486 VanDerWaalsContact O-N 3.08Å; D484-S486 WeakPolarHBondContact OD1-CB 3.44Å; D484-S486 PolarHBondContact OD1-N 2.88Å; D484-S486 PolarHBondContact OD1-OG 2.84Å; D484-S486 PolarHBondContact OD2-OG 3.33Å; D484-S486 VanDerWaalsContact OD2-OG 3.07Å
487T94.1Very high94.1Very high64 Ų6468.6 Ų68.639%0.39337%0.374SS..SBendtrans-95.2-4.2-173.765.40000114.1K482 D484 P485K482-T487 WeakPolarHBondContact CD-O 3.22Å; K482-T487 PolarHBondContact NZ-O 3.12Å; D484-T487 HydrophobicContact CB-CG2 3.77Å; D484-T487 PolarHBondContact O-N 3.5Å; D484-T487 PolarHBondContact O-OG1 3.19Å; D484-T487 WeakPolarHBondContact OD2-CG2 3.47Å; P485-T487 VanDerWaalsContact C-N 3.33Å
488L94.7Very high94.3Very high17 Ų1765.2 Ų65.29%0.08936%0.358CS..  trans-70.1134.3176.2-77.477.7000110Y454 F467 L475 K482 D484 E492 V493Y454-L488 HydrophobicContact CE2-CD2 4.33Å; F467-L488 HydrophobicContact CE2-CD1 3.75Å; F467-L488 HydrophobicContact CZ-CD1 3.58Å; F467-L488 HydrophobicContact CZ-CD2 4.12Å; L475-L488 HydrophobicContact CD2-CD2 3.99Å; K482-L488 HydrophobicContact CB-CD1 4.45Å; D484-L488 WeakPolarHBondContact O-CD1 3.47Å; L488-E492 WeakPolarHBondContact CA-OE2 3.42Å; L488-E492 HydrophobicContact CB-CB 4.07Å; L488-E492 HydrophobicContact CD2-CB 4.13Å; L488-E492 HydrophobicContact CG-CB 4.17Å; L488-V493 HydrophobicContact CB-CG2 3.72Å; L488-V493 HydrophobicContact CD2-CG2 4.49Å
489T95.4Very high94.4Very high69 Ų6962.5 Ų62.542%0.42334%0.344SS..  trans-68.4163.1168.959.30000110.5E491 E492 V493T489-E491 PolarHBondContact O-N 3.26Å; T489-E492 WeakPolarHBondContact CB-OE2 3.49Å; T489-E492 WeakPolarHBondContact CG2-OE2 3.39Å; T489-E492 PolarHBondContact N-OE2 3.43Å; T489-E492 PolarHBondContact O-N 3Å; T489-E492 VanDerWaalsContact O-N 3.16Å; T489-E492 WeakPolarHBondContact OG1-CB 3.43Å; T489-E492 VanDerWaalsContact OG1-CD 3.3Å; T489-E492 VanDerWaalsContact OG1-CG 3.25Å; T489-E492 WeakPolarHBondContact OG1-CG 3.35Å; T489-E492 PolarHBondContact OG1-N 3.12Å; T489-E492 PolarHBondContact OG1-OE2 2.91Å; T489-V493 WeakPolarHBondContact O-CB 3.3Å; T489-V493 WeakPolarHBondContact O-CG2 3.25Å; T489-V493 PolarHBondContact O-N 3.45Å
490E94.3Very high94.4Very high178 Ų17862.9 Ų62.983%0.83233%0.333SS*.Hα-helixtrans-58.4-36.4177.8-63.2-171.1160.100112.5V493 S494E490-V493 PolarHBondContact O-N 2.92Å; E490-S494 WeakPolarHBondContact O-CB 3.14Å; E490-S494 PolarHBondContact O-N 3.22Å
491E94.7Very high94.5Very high141 Ų14162.7 Ų62.766%0.65933%0.332SS*.Hα-helixtrans-66.4-44175.2-66.1-175.2-175.200112.7T489 V493 S494 K495T489-E491 PolarHBondContact O-N 3.26Å; E491-V493 VanDerWaalsContact C-N 3.34Å; E491-S494 PolarHBondContact O-N 3.21Å; E491-K495 WeakPolarHBondContact O-CG 3.34Å; E491-K495 PolarHBondContact O-N 3.14Å
492E95.9Very high94.6Very high38 Ų3857.9 Ų57.918%0.17831%0.306CS..Hα-helixtrans-65.4-39.5176.3-72.9165.4139.700111.2I480 K482 L488 T489 K495 F496I480-E492 HydrophobicContact CD1-CB 3.96Å; I480-E492 HydrophobicContact CD1-CG 4Å; I480-E492 HydrophobicContact CG1-CG 4.2Å; I480-E492 HydrophobicContact CG2-CG 4.49Å; K482-E492 WeakPolarHBondContact CE-OE1 3.38Å; K482-E492 IonicContact NZ-OE1 2.69Å; K482-E492 PolarHBondContact NZ-OE1 3.38Å; K482-E492 IonicContact NZ-OE2 3.25Å; K482-E492 PolarHBondContact NZ-OE2 3.34Å; L488-E492 WeakPolarHBondContact CA-OE2 3.42Å; L488-E492 HydrophobicContact CB-CB 4.07Å; L488-E492 HydrophobicContact CD2-CB 4.13Å; L488-E492 HydrophobicContact CG-CB 4.17Å; T489-E492 WeakPolarHBondContact CB-OE2 3.49Å; T489-E492 WeakPolarHBondContact CG2-OE2 3.39Å; T489-E492 PolarHBondContact N-OE2 3.43Å; T489-E492 PolarHBondContact O-N 3Å; T489-E492 VanDerWaalsContact O-N 3.16Å; T489-E492 WeakPolarHBondContact OG1-CB 3.43Å; T489-E492 VanDerWaalsContact OG1-CD 3.3Å; T489-E492 VanDerWaalsContact OG1-CG 3.25Å; T489-E492 WeakPolarHBondContact OG1-CG 3.35Å; T489-E492 PolarHBondContact OG1-N 3.12Å; T489-E492 PolarHBondContact OG1-OE2 2.91Å; E492-K495 PolarHBondContact O-N 3.49Å; E492-F496 VanDerWaalsContact O-CB 3.25Å; E492-F496 WeakPolarHBondContact O-CB 3.16Å; E492-F496 PolarHBondContact O-N 2.9Å
493V95.6Very high94.6Very high20 Ų2058 Ų5812%0.12131%0.314CS..Hα-helixtrans-59.4-47.5173.5166.50000110.5Y454 L488 T489 E490 E491 F496 A497Y454-V493 HydrophobicContact CD1-CG1 4.2Å; Y454-V493 HydrophobicContact CD1-CG2 4.37Å; Y454-V493 HydrophobicContact CD2-CB 4.49Å; Y454-V493 HydrophobicContact CD2-CG1 3.88Å; Y454-V493 HydrophobicContact CD2-CG2 4.32Å; Y454-V493 HydrophobicContact CE1-CG2 4.3Å; Y454-V493 HydrophobicContact CE2-CG2 4.27Å; Y454-V493 HydrophobicContact CG-CG1 3.63Å; Y454-V493 HydrophobicContact CG-CG2 4.36Å; L488-V493 HydrophobicContact CB-CG2 3.72Å; L488-V493 HydrophobicContact CD2-CG2 4.49Å; T489-V493 WeakPolarHBondContact O-CB 3.3Å; T489-V493 WeakPolarHBondContact O-CG2 3.25Å; T489-V493 PolarHBondContact O-N 3.45Å; E490-V493 PolarHBondContact O-N 2.92Å; E491-V493 VanDerWaalsContact C-N 3.34Å; V493-F496 PolarHBondContact O-N 3.06Å; V493-A497 WeakPolarHBondContact O-CB 3.35Å; V493-A497 PolarHBondContact O-N 2.86Å
494S94.8Very high94.5Very high38 Ų3857.9 Ų57.927%0.26632%0.317SS..Hα-helixtrans-59.9-52.7178.3-172.30000111.4D450 E490 E491 F496 A497 R498D450-S494 WeakPolarHBondContact OD2-CB 3.17Å; D450-S494 PolarHBondContact OD2-OG 3Å; E490-S494 WeakPolarHBondContact O-CB 3.14Å; E490-S494 PolarHBondContact O-N 3.22Å; E491-S494 PolarHBondContact O-N 3.21Å; S494-F496 VanDerWaalsContact C-N 3.31Å; S494-F496 PolarHBondContact O-N 2.7Å; S494-A497 PolarHBondContact O-N 3.24Å; S494-R498 WeakPolarHBondContact O-CB 3.22Å; S494-R498 WeakPolarHBondContact O-CG 3.37Å; S494-R498 PolarHBondContact O-N 3.42Å
495K93.9Very high94.5Very high126 Ų12655.4 Ų55.455%0.54831%0.305SS..Hα-helixtrans-59-38.9178-73.7176.9-179.7171.60113R474 E491 E492R474-K495 PolarHBondContact NH2-O 2.89Å; E491-K495 WeakPolarHBondContact O-CG 3.34Å; E491-K495 PolarHBondContact O-N 3.14Å; E492-K495 PolarHBondContact O-N 3.49Å
496F95.2Very high94.5Very high5 Ų556 Ų562%0.02231%0.307CS..Hα-helixtrans-69.8-48.2176.9172.6-94.3000111.6Y454 V458 F467 Q471 R474 L475 L478 E492 V493 S494Y454-F496 AromaticContact CD2-CD1 3.73Å; Y454-F496 HydrophobicContact CD2-CD1 3.73Å; Y454-F496 HydrophobicContact CD2-CE1 4.07Å; Y454-F496 AromaticContact CE2-CD1 3.75Å; Y454-F496 HydrophobicContact CE2-CD1 3.75Å; Y454-F496 AromaticContact CE2-CE1 3.98Å; Y454-F496 HydrophobicContact CE2-CE1 3.98Å; V458-F496 HydrophobicContact CG2-CE1 3.82Å; V458-F496 HydrophobicContact CG2-CZ 4.21Å; F467-F496 HydrophobicContact CD1-CZ 4.17Å; F467-F496 HydrophobicContact CE1-CE1 4.19Å; F467-F496 HydrophobicContact CE1-CE2 4.27Å; F467-F496 AromaticContact CE1-CZ 3.91Å; F467-F496 HydrophobicContact CE1-CZ 3.91Å; Q471-F496 HydrophobicContact CB-CE2 3.95Å; Q471-F496 HydrophobicContact CB-CZ 3.86Å; Q471-F496 HydrophobicContact CG-CE2 4.3Å; Q471-F496 HydrophobicContact CG-CZ 3.82Å; R474-F496 HydrophobicContact CB-CE2 4.49Å; R474-F496 HydrophobicContact CG-CD2 4.3Å; R474-F496 HydrophobicContact CG-CE2 4.46Å; R474-F496 PolarHBondContact NE-O 2.71Å; R474-F496 PolarHBondContact NH2-O 2.95Å; L475-F496 HydrophobicContact CD2-CB 4.28Å; L475-F496 HydrophobicContact CD2-CD2 3.54Å; L475-F496 HydrophobicContact CD2-CE2 4.23Å; L475-F496 HydrophobicContact CD2-CG 4.17Å; L475-F496 HydrophobicContact CG-CD2 3.85Å; L475-F496 HydrophobicContact CG-CE2 4.07Å; L478-F496 HydrophobicContact CD1-CB 4.39Å; E492-F496 VanDerWaalsContact O-CB 3.25Å; E492-F496 WeakPolarHBondContact O-CB 3.16Å; E492-F496 PolarHBondContact O-N 2.9Å; V493-F496 PolarHBondContact O-N 3.06Å; S494-F496 VanDerWaalsContact C-N 3.31Å; S494-F496 PolarHBondContact O-N 2.7Å
497A94.9Very high94.6Very high0 Ų055 Ų550%030%0.297CS..Hα-helixtrans-74-26.3-173.300000113.4R441 L453 L457 V493 S494R441-A497 PolarHBondContact NH2-O 2.79Å; L453-A497 HydrophobicContact CD2-CB 4.2Å; L453-A497 VanDerWaalsContact CD2-O 3.29Å; L453-A497 WeakPolarHBondContact CD2-O 3.23Å; L453-A497 HydrophobicContact CG-CB 4.32Å; L457-A497 HydrophobicContact CD1-CB 4.16Å; V493-A497 WeakPolarHBondContact O-CB 3.35Å; V493-A497 PolarHBondContact O-N 2.86Å; S494-A497 PolarHBondContact O-N 3.24Å
498R95.3Very high94.7Very high41 Ų4152.5 Ų52.516%0.15528%0.28CS..  trans-99.2127-180-59.9-64.5-179.7171.3-5.9111.9E445 Q448 D450 R474 S494E445-R498 VanDerWaalsContact CB-NH1 3.31Å; E445-R498 PolarHBondContact O-NH1 3.46Å; Q448-R498 PolarHBondContact O-NH2 3.31Å; D450-R498 IonicContact OD1-CZ 3.95Å; D450-R498 IonicContact OD1-NE 2.71Å; D450-R498 PolarHBondContact OD1-NE 2.96Å; D450-R498 IonicContact OD1-NH2 2.61Å; D450-R498 PolarHBondContact OD1-NH2 3.44Å; R474-R498 PolarHBondContact NH2-O 2.7Å; S494-R498 WeakPolarHBondContact O-CB 3.22Å; S494-R498 WeakPolarHBondContact O-CG 3.37Å; S494-R498 PolarHBondContact O-N 3.42Å
499L96.6Very high94.7Very high7 Ų753.4 Ų53.44%0.03728%0.284CS..  trans-90.3-24.5163.3-56.1-165000111.1R441 E445 I501 D572 V578 D582 L583R441-L499 HydrophobicContact CG-CD1 3.88Å; R441-L499 HydrophobicContact CG-CG 4.15Å; E445-L499 WeakPolarHBondContact OE1-CB 3.44Å; E445-L499 PolarHBondContact OE1-N 2.7Å; E445-L499 PolarHBondContact OE2-N 3.26Å; L499-I501 HydrophobicContact CB-CD1 4.41Å; L499-I501 HydrophobicContact CB-CG1 3.99Å; L499-I501 HydrophobicContact CD1-CD1 4.3Å; L499-I501 PolarHBondContact O-N 3.06Å; L499-D572 VanDerWaalsContact O-CB 3.27Å; L499-D572 WeakPolarHBondContact O-CB 3.21Å; L499-V578 HydrophobicContact CB-CG1 4.38Å; L499-V578 HydrophobicContact CD1-CG1 3.8Å; L499-D582 HydrophobicContact CD1-CB 4.21Å; L499-D582 HydrophobicContact CD2-CB 4.06Å; L499-L583 HydrophobicContact CD1-CD2 3.58Å; L499-L583 HydrophobicContact CD1-CG 3.98Å
500D95.5Very high94.8Very high66 Ų6652.2 Ų52.235%0.35327%0.272SS..  trans51.242-179.9-90.9-53.3000113.1E445 D502 D572 K573E445-D500 PolarHBondContact OE2-N 3.02Å; D500-D502 PolarHBondContact O-N 3.24Å; D500-D572 CarbonylContact O-C 3.5Å; D500-D572 WeakPolarHBondContact O-CA 2.93Å; D500-D572 WeakPolarHBondContact O-CB 3.27Å; D500-K573 HydrophobicContact CB-CD 4.42Å; D500-K573 WeakPolarHBondContact O-CG 3.2Å; D500-K573 PolarHBondContact O-N 3.33Å; D500-K573 IonicContact OD1-NZ 2.66Å; D500-K573 PolarHBondContact OD1-NZ 3.48Å
501I97Very high95Very high10 Ų1043.8 Ų43.85%0.05123%0.233CC..BIsolated β-bridgetrans-53.7127.8178-66.7170.3000109.6I438 I442 L499 P503 I506 A570 V578 L583I438-I501 HydrophobicContact CG2-CD1 4.47Å; I442-I501 HydrophobicContact CD1-CB 4.44Å; I442-I501 HydrophobicContact CD1-CG2 3.99Å; I442-I501 HydrophobicContact CG1-CB 4.17Å; I442-I501 HydrophobicContact CG1-CD1 4.18Å; I442-I501 HydrophobicContact CG1-CG2 4.27Å; L499-I501 HydrophobicContact CB-CD1 4.41Å; L499-I501 HydrophobicContact CB-CG1 3.99Å; L499-I501 HydrophobicContact CD1-CD1 4.3Å; L499-I501 PolarHBondContact O-N 3.06Å; I501-P503 VanDerWaalsContact O-CD 3.27Å; I501-P503 WeakPolarHBondContact O-CD 3.46Å; I501-I506 HydrophobicContact CG2-CD1 4.38Å; I501-I506 HydrophobicContact CG2-CG1 4.1Å; I501-A570 HydrophobicContact CG2-CB 3.73Å; I501-V578 HydrophobicContact CD1-CG1 4.22Å; I501-V578 HydrophobicContact CG1-CB 4.41Å; I501-V578 HydrophobicContact CG1-CG1 4.02Å; I501-V578 HydrophobicContact CG1-CG2 4.15Å; I501-L583 HydrophobicContact CD1-CD2 4.47Å
502D94.9Very high95.1Very high46 Ų4640 Ų4025%0.24622%0.217CC..  trans-81.9111.2166.7179.6-12.8000109D500 S504 T505 S571 K573D500-D502 PolarHBondContact O-N 3.24Å; D502-S504 VanDerWaalsContact CG-OG 3.23Å; D502-S504 PolarHBondContact O-N 2.87Å; D502-S504 VanDerWaalsContact O-N 3.11Å; D502-S504 WeakPolarHBondContact OD1-CB 3Å; D502-S504 PolarHBondContact OD1-N 3.05Å; D502-S504 PolarHBondContact OD1-OG 2.99Å; D502-S504 PolarHBondContact OD2-OG 3.11Å; D502-T505 HydrophobicContact CB-CG2 4.01Å; D502-T505 PolarHBondContact O-N 3.12Å; D502-T505 PolarHBondContact O-OG1 3.43Å; D502-S571 PolarHBondContact N-O 2.81Å; D502-K573 HydrophobicContact CB-CG 4.41Å
503P93.1Very high95.1Very high69 Ų6938.8 Ų38.845%0.44821%0.211SC..G310 helixtrans-60.5-25-176.7-23.335.6000114.1I501 T505 I506I501-P503 VanDerWaalsContact O-CD 3.27Å; I501-P503 WeakPolarHBondContact O-CD 3.46Å; P503-T505 PolarHBondContact O-N 3.42Å; P503-I506 HydrophobicContact CB-CD1 4.29Å
504S91.3Very high95Very high102 Ų10241.1 Ų41.171%0.71323%0.226SC*.G310 helixtrans-72.5-17.4179.174.50000113.2D502D502-S504 VanDerWaalsContact CG-OG 3.23Å; D502-S504 PolarHBondContact O-N 2.87Å; D502-S504 VanDerWaalsContact O-N 3.11Å; D502-S504 WeakPolarHBondContact OD1-CB 3Å; D502-S504 PolarHBondContact OD1-N 3.05Å; D502-S504 PolarHBondContact OD1-OG 2.99Å; D502-S504 PolarHBondContact OD2-OG 3.11Å
505T93Very high94.9Very high24 Ų2439.7 Ų39.715%0.14722%0.215CC..G310 helixtrans-101.71.4-178.171.50000113.5D502 P503 T507 S571D502-T505 HydrophobicContact CB-CG2 4.01Å; D502-T505 PolarHBondContact O-N 3.12Å; D502-T505 PolarHBondContact O-OG1 3.43Å; P503-T505 PolarHBondContact O-N 3.42Å; T505-T507 PolarHBondContact O-N 3.29Å; T505-T507 VanDerWaalsContact O-N 3.1Å; T505-S571 PolarHBondContact OG1-N 3.45Å; T505-S571 PolarHBondContact OG1-O 3.08Å; T505-S571 VanDerWaalsContact OG1-O 3.08Å
506I94.6Very high95Very high19 Ų1936.1 Ų36.110%0.09720%0.202CC..  trans-61.8115.7179.2-64170.8000109.4I438 I442 I501 P503 V569 A570I438-I506 HydrophobicContact CG2-CD1 4.14Å; I442-I506 HydrophobicContact CD1-CD1 3.76Å; I501-I506 HydrophobicContact CG2-CD1 4.38Å; I501-I506 HydrophobicContact CG2-CG1 4.1Å; P503-I506 HydrophobicContact CB-CD1 4.29Å; I506-V569 WeakPolarHBondContact CA-O 3.1Å; I506-A570 HydrophobicContact CG1-CB 4.03Å
507T91.4Very high95Very high75 Ų7541.9 Ų41.946%0.4622%0.224SC..  trans-96.3-23.9176.253.10000112T505 V568 V569T505-T507 PolarHBondContact O-N 3.29Å; T505-T507 VanDerWaalsContact O-N 3.1Å; T507-V568 PolarHBondContact OG1-O 3.25Å; T507-V569 PolarHBondContact N-O 2.69Å; T507-V569 PolarHBondContact OG1-O 2.85Å
508W96.1Very high95Very high11 Ų1150.2 Ų50.24%0.04226%0.26CS..  trans-74.8131.2-176.4-159.3-93.7000112.5N431 L434 I438 E546 I547 M567 V569N431-W508 HydrophobicContact CB-CZ2 4.42Å; N431-W508 PolarHBondContact O-NE1 2.9Å; N431-W508 VanDerWaalsContact O-NE1 3.14Å; N431-W508 WeakPolarHBondContact OD1-CZ2 3.44Å; L434-W508 HydrophobicContact CB-CZ2 4.45Å; L434-W508 HydrophobicContact CD2-CD2 3.83Å; L434-W508 VanDerWaalsContact CD2-CE2 3.48Å; L434-W508 HydrophobicContact CD2-CE3 4.13Å; L434-W508 HydrophobicContact CD2-CH2 3.83Å; L434-W508 HydrophobicContact CD2-CZ2 3.51Å; L434-W508 HydrophobicContact CD2-CZ3 4.13Å; L434-W508 HydrophobicContact CG-CD2 4.25Å; L434-W508 HydrophobicContact CG-CG 4.45Å; L434-W508 HydrophobicContact CG-CZ2 4.29Å; I438-W508 HydrophobicContact CD1-CB 3.56Å; I438-W508 HydrophobicContact CD1-CG 3.87Å; W508-E546 HydrophobicContact CH2-CB 4Å; W508-E546 HydrophobicContact CZ3-CB 3.91Å; W508-I547 HydrophobicContact CH2-CD1 4.44Å; W508-I547 HydrophobicContact CH2-CG1 3.95Å; W508-I547 HydrophobicContact CZ2-CD1 4.15Å; W508-I547 HydrophobicContact CZ2-CG1 4.11Å; W508-M567 HydrophobicContact CH2-CE 3.81Å; W508-M567 HydrophobicContact CH2-SD 3.53Å; W508-M567 VanDerWaalsContact CH2-SD 3.53Å; W508-M567 HydrophobicContact CZ2-CE 4.45Å; W508-M567 HydrophobicContact CZ3-CB 4.22Å; W508-M567 HydrophobicContact CZ3-CE 4.34Å; W508-M567 HydrophobicContact CZ3-SD 3.88Å; W508-V569 HydrophobicContact CB-CB 3.96Å; W508-V569 HydrophobicContact CB-CG1 4.05Å; W508-V569 HydrophobicContact CD2-CG1 4.11Å; W508-V569 HydrophobicContact CE3-CG1 4.02Å; W508-V569 HydrophobicContact CG-CG1 4.12Å; W508-V569 PolarHBondContact N-O 3.45Å
509Q95.1Very high95.1Very high36 Ų3650.2 Ų50.217%0.16826%0.263CS..  trans-123.3164-176.9-56.3-60.6-17.400111N431 Q538N431-Q509 PolarHBondContact ND2-O 3.32Å; Q509-Q538 HydrophobicContact CB-CG 3.8Å; Q509-Q538 HydrophobicContact CG-CG 3.41Å; Q509-Q538 VanDerWaalsContact CG-CG 3.41Å; Q509-Q538 VanDerWaalsContact OE1-CG 3.29Å
510R98.2Very high95.1Very high44 Ų4454.4 Ų54.417%0.16628%0.278CS..EExtended strand (participates in β ladder)trans-80163.4174.7-72.1174.5168.872.91.3110N432 A435 D439 Q538 F539 D540N432-R510 WeakPolarHBondContact OD1-CA 3.49Å; N432-R510 WeakPolarHBondContact OD1-CB 3.4Å; A435-R510 HydrophobicContact CB-CG 3.62Å; D439-R510 IonicContact OD2-CZ 2.71Å; D439-R510 VanDerWaalsContact OD2-CZ 3.25Å; D439-R510 IonicContact OD2-NH1 3.1Å; D439-R510 PolarHBondContact OD2-NH1 2.98Å; D439-R510 IonicContact OD2-NH2 2.8Å; D439-R510 PolarHBondContact OD2-NH2 2.9Å; R510-Q538 PolarHBondContact N-O 2.78Å; R510-Q538 VanDerWaalsContact N-O 3.13Å; R510-F539 HydrophobicContact CB-CD1 3.69Å; R510-F539 HydrophobicContact CB-CD2 4.01Å; R510-F539 HydrophobicContact CB-CE1 3.54Å; R510-F539 HydrophobicContact CB-CE2 3.86Å; R510-F539 HydrophobicContact CB-CG 3.93Å; R510-F539 HydrophobicContact CB-CZ 3.63Å; R510-F539 HydrophobicContact CG-CE1 4.5Å; R510-F539 HydrophobicContact CG-CE2 4.48Å; R510-F539 HydrophobicContact CG-CZ 4.23Å; R510-F539 CarbonylContact O-C 3.58Å; R510-F539 VanDerWaalsContact O-CA 3.23Å; R510-F539 WeakPolarHBondContact O-CA 3.35Å; R510-D540 PolarHBondContact O-N 3.33Å
511V97.9Very high95.1Very high2 Ų259.2 Ų59.21%0.01230%0.296CS..EExtended strand (participates in β ladder)trans-136.4154.5176.7-59.30000113.5T428 N431 N432 D540 A542T428-V511 HydrophobicContact CG2-CG2 4.31Å; N431-V511 HydrophobicContact CB-CG2 3.66Å; N432-V511 PolarHBondContact ND2-O 2.83Å; N432-V511 PolarHBondContact OD1-N 2.77Å; V511-D540 WeakPolarHBondContact CA-O 3.2Å; V511-D540 WeakPolarHBondContact CB-O 3.44Å; V511-D540 HydrophobicContact CG1-CB 4.25Å; V511-A542 HydrophobicContact CG2-CB 4.37Å
512L96.6Very high95.1Very high62 Ų6260.7 Ų60.733%0.32530%0.304SS..EExtended strand (participates in β ladder)trans-148.1139.8173.717866000108.5T514 L519 F539 D540 I541 A542L512-T514 PolarHBondContact O-N 3.3Å; L512-T514 VanDerWaalsContact O-N 3.13Å; L512-L519 HydrophobicContact CD2-CD1 4.12Å; L512-F539 HydrophobicContact CB-CD1 4.07Å; L512-D540 PolarHBondContact N-O 3.11Å; L512-D540 VanDerWaalsContact N-O 3.1Å; L512-I541 VanDerWaalsContact O-CA 3.27Å; L512-I541 WeakPolarHBondContact O-CA 3.41Å; L512-A542 PolarHBondContact O-N 2.95Å; L512-A542 VanDerWaalsContact O-N 3.15Å
513D95.2Very high95.1Very high11 Ų1162 Ų626%0.05931%0.314CS..SBendtrans-8947.6177.6-155.137000113.3S391 Q392 G393 I424 I541 A542S391-D513 WeakPolarHBondContact CB-OD1 3.15Å; S391-D513 PolarHBondContact OG-OD1 2.85Å; Q392-D513 VanDerWaalsContact CB-OD2 3.28Å; Q392-D513 WeakPolarHBondContact CB-OD2 3.39Å; Q392-D513 PolarHBondContact N-OD2 3.24Å; G393-D513 WeakPolarHBondContact CA-O 3.5Å; G393-D513 PolarHBondContact N-O 3.15Å; I424-D513 HydrophobicContact CG2-CB 3.86Å; D513-I541 WeakPolarHBondContact OD1-CG1 3.33Å; D513-A542 HydrophobicContact CB-CB 3.72Å
514T93.8Very high95.2Very high70 Ų7060.2 Ų60.243%0.42930%0.3SS..SBendtrans-136.5143.1-179.5-56.50000109.4L512 D516L512-T514 PolarHBondContact O-N 3.3Å; L512-T514 VanDerWaalsContact O-N 3.13Å; T514-D516 PolarHBondContact O-N 3.49Å
515N93.8Very high95.3Very high8 Ų856.6 Ų56.64%0.04328%0.279CS..  trans-7582.9177.2-67.66.5000111.7G393 P889 L891G393-N515 WeakPolarHBondContact CA-OD1 3.27Å; G393-N515 PolarHBondContact O-ND2 3.32Å; G393-N515 PolarHBondContact O-OD1 3.47Å; N515-P889 CarbonylContact C-O 3.5Å; N515-P889 VanDerWaalsContact C-O 3.23Å; N515-P889 WeakPolarHBondContact CA-O 3.5Å; N515-P889 HydrophobicContact CB-CB 4.44Å; N515-P889 HydrophobicContact CB-CG 4.16Å; N515-P889 WeakPolarHBondContact OD1-CG 3.41Å; N515-L891 HydrophobicContact CB-CD2 4.12Å; N515-L891 HydrophobicContact CB-CG 4.17Å; N515-L891 WeakPolarHBondContact O-CG 3.28Å
516D95.4Very high95.4Very high51 Ų5161.8 Ų61.827%0.27330%0.301SS..  trans-119.695.8-177.5-167.6-15.1000113.4T514 F518 L519 M888 P889T514-D516 PolarHBondContact O-N 3.49Å; D516-F518 PolarHBondContact O-N 2.96Å; D516-F518 PolarHBondContact OD1-N 2.83Å; D516-L519 HydrophobicContact CB-CD1 4.12Å; D516-L519 HydrophobicContact CB-CG 4.3Å; D516-L519 PolarHBondContact O-N 2.98Å; D516-M888 WeakPolarHBondContact O-CG 3.29Å; D516-P889 PolarHBondContact N-O 3.21Å
517R95.3Very high95.3Very high125 Ų12562.4 Ų62.447%0.47231%0.313SS..G310 helixtrans-65.7-21.4-178.869.3175.869.9-167.41.6114.2L519 R520 L891R517-L519 VanDerWaalsContact C-N 3.28Å; R517-R520 WeakPolarHBondContact O-CB 3.45Å; R517-R520 WeakPolarHBondContact O-CD 3.4Å; R517-R520 VanDerWaalsContact O-CG 3.3Å; R517-R520 WeakPolarHBondContact O-CG 3.1Å; R517-R520 PolarHBondContact O-N 3.43Å; R517-L891 PolarHBondContact NH2-O 3.05Å
518F95.9Very high95.4Very high175 Ų17566.4 Ų66.477%0.76833%0.331SS*.G310 helixtrans-78.7-15.6-177.3-74.5-82.2000112.4D516 R520D516-F518 PolarHBondContact O-N 2.96Å; D516-F518 PolarHBondContact OD1-N 2.83Å; F518-R520 VanDerWaalsContact C-N 3.35Å
519L96.9Very high95Very high41 Ų4171.6 Ų71.622%0.21536%0.364CS..G310 helixtrans-88.31.4174.5-58.3178.2000114L512 D516 R517 K521 I522 F539L512-L519 HydrophobicContact CD2-CD1 4.12Å; D516-L519 HydrophobicContact CB-CD1 4.12Å; D516-L519 HydrophobicContact CB-CG 4.3Å; D516-L519 PolarHBondContact O-N 2.98Å; R517-L519 VanDerWaalsContact C-N 3.28Å; L519-K521 PolarHBondContact O-N 3.2Å; L519-I522 HydrophobicContact CD2-CG2 4.08Å; L519-F539 HydrophobicContact CB-CB 3.74Å; L519-F539 HydrophobicContact CB-CD2 4.02Å; L519-F539 HydrophobicContact CB-CG 4.06Å; L519-F539 HydrophobicContact CD1-CB 4.33Å; L519-F539 HydrophobicContact CD1-CD1 4.37Å; L519-F539 HydrophobicContact CD1-CD2 4.29Å; L519-F539 HydrophobicContact CD1-CG 4.09Å; L519-F539 HydrophobicContact CD2-CD2 4.46Å; L519-F539 PolarHBondContact O-N 2.95Å
520R95.1Very high94.8Very high95 Ų9573 Ų7336%0.35837%0.371SS..G310 helixtrans-59.1-28.2177.9-76.7173179.4172.6-1.6113.7R517 F518 Q538 S886 M888R517-R520 WeakPolarHBondContact O-CB 3.45Å; R517-R520 WeakPolarHBondContact O-CD 3.4Å; R517-R520 VanDerWaalsContact O-CG 3.3Å; R517-R520 WeakPolarHBondContact O-CG 3.1Å; R517-R520 PolarHBondContact O-N 3.43Å; F518-R520 VanDerWaalsContact C-N 3.35Å; R520-Q538 WeakPolarHBondContact O-CB 3.36Å; R520-S886 PolarHBondContact NE-OG 3.37Å; R520-S886 PolarHBondContact NH2-OG 2.88Å; R520-S886 VanDerWaalsContact NH2-OG 3.15Å; R520-M888 HydrophobicContact CG-CB 3.88Å; R520-M888 HydrophobicContact CG-CG 4.13Å; R520-M888 VanDerWaalsContact CZ-O 3.25Å; R520-M888 PolarHBondContact NE-O 2.95Å; R520-M888 PolarHBondContact NH2-O 2.92Å
521K95.9Very high94.1Very high168 Ų16879.2 Ų79.273%0.7340%0.399SS*.SBendtrans-151.4125.4172-70-166.6177.7-173.20108.9L519L519-K521 PolarHBondContact O-N 3.2Å
522I96.6Very high93.5Very high41 Ų4181.9 Ų81.921%0.2143%0.427CS..EExtended strand (participates in β ladder)trans-138.4165.7-179.262.3168.1000110.4L519 I524 Q536 A537 F539L519-I522 HydrophobicContact CD2-CG2 4.08Å; I522-I524 HydrophobicContact CD1-CG2 3.69Å; I522-I524 HydrophobicContact CG1-CG2 4.21Å; I522-Q536 WeakPolarHBondContact O-CA 3.22Å; I522-A537 HydrophobicContact CG1-CB 4.14Å; I522-A537 WeakPolarHBondContact CG1-O 3.5Å; I522-A537 PolarHBondContact N-O 3.09Å; I522-A537 PolarHBondContact O-N 2.92Å; I522-F539 HydrophobicContact CD1-CD2 3.88Å; I522-F539 HydrophobicContact CD1-CE2 3.58Å
523T95.9Very high93.1Very high73 Ų7382.5 Ų82.545%0.44843%0.428SS..EExtended strand (participates in β ladder)trans-112.2127.6167.2-550000108.8Q526 Y534 R535T523-Q526 HydrophobicContact CG2-CG 4.43Å; T523-Q526 VanDerWaalsContact CG2-NE2 3.3Å; T523-Y534 HydrophobicContact CG2-CD2 4.21Å; T523-R535 WeakPolarHBondContact CA-O 3.43Å
524I95.8Very high93Very high31 Ų3189.2 Ų89.216%0.15945%0.454CS..EExtended strand (participates in β ladder)trans-106.2169.9178.462.9172.9000111.2D439 I522 Y534 R535 A537D439-I524 VanDerWaalsContact OD2-CD1 3.25Å; D439-I524 WeakPolarHBondContact OD2-CD1 3.2Å; I522-I524 HydrophobicContact CD1-CG2 3.69Å; I522-I524 HydrophobicContact CG1-CG2 4.21Å; I524-Y534 WeakPolarHBondContact O-CA 3.45Å; I524-Y534 WeakPolarHBondContact O-CB 3.42Å; I524-R535 HydrophobicContact CD1-CG 4.01Å; I524-R535 HydrophobicContact CG1-CG 3.88Å; I524-R535 PolarHBondContact N-O 3.48Å; I524-R535 PolarHBondContact O-N 3.34Å; I524-A537 HydrophobicContact CD1-CB 4.21Å; I524-A537 HydrophobicContact CG1-CB 4.41Å; I524-A537 HydrophobicContact CG2-CB 4.16Å
525G93.6Very high92.9Very high26 Ų2687.8 Ų87.827%0.26844%0.44SS..  trans73.928.317600000114.3G527G525-G527 VanDerWaalsContact C-N 3.28Å
526Q94.4Very high93Very high133 Ų13394.7 Ų94.762%0.62147%0.472SS*.  trans-82.6-2.2179.6-64.6-67.5-56.100113.4T523 Y534T523-Q526 HydrophobicContact CG2-CG 4.43Å; T523-Q526 VanDerWaalsContact CG2-NE2 3.3Å; Q526-Y534 VanDerWaalsContact NE2-CB 3.28Å
527G92.5Very high93Very high33 Ų3392.6 Ų92.634%0.3446%0.462SS..SBendtrans-67.3157.3177.700000112.7G525 T529 E530 K531G525-G527 VanDerWaalsContact C-N 3.28Å; G527-T529 PolarHBondContact O-N 3.29Å; G527-E530 PolarHBondContact O-N 3.39Å; G527-K531 PolarHBondContact O-N 3.39Å
528N92.7Very high93Very high158 Ų15888.3 Ų88.385%0.84545%0.448SS*.SBendtrans-62.9-31.5-179.8-72.9-26.4000112.7K531N528-K531 WeakPolarHBondContact O-CB 3.43Å
529T87.9Confident93Very high121 Ų12181.8 Ų81.874%0.74242%0.419SS*.THydrogen-bonded Turntrans-76.1-26.2179.940.30000113G527G527-T529 PolarHBondContact O-N 3.29Å
530E90.9Very high93Very high66 Ų6680.7 Ų80.731%0.30841%0.414SS..THydrogen-bonded Turntrans-100.915.3178-6168.6-135.100112.2G527 G532 H533G527-E530 PolarHBondContact O-N 3.39Å; E530-G532 PolarHBondContact O-N 2.87Å; E530-H533 WeakPolarHBondContact O-CA 3.37Å; E530-H533 WeakPolarHBondContact O-CB 3.29Å; E530-H533 PolarHBondContact O-N 2.96Å
531K84.1Confident93Very high174 Ų17476.2 Ų76.276%0.75740%0.397SS*.THydrogen-bonded Turntrans-52.3124.7-175.1-174.4178.2-178.6179.50111.5G527 N528 H533G527-K531 PolarHBondContact O-N 3.39Å; N528-K531 WeakPolarHBondContact O-CB 3.43Å; K531-H533 VanDerWaalsContact C-N 3.33Å
532G84.6Confident93Very high58 Ų5868.2 Ų68.260%0.59836%0.362SS*.THydrogen-bonded Turntrans87.3-5.5-177.600000114.8E530E530-G532 PolarHBondContact O-N 2.87Å
533H89.5Confident92.9Very high75 Ų7566.5 Ų66.535%0.34735%0.353SS..  trans-112.743.9178.2-58.4-73.3000112.1L443 E530 K531L443-H533 HydrophobicContact CD1-CB 4.15Å; L443-H533 VanDerWaalsContact CD1-CD2 3.49Å; L443-H533 WeakPolarHBondContact CD1-CD2 3.27Å; E530-H533 WeakPolarHBondContact O-CA 3.37Å; E530-H533 WeakPolarHBondContact O-CB 3.29Å; E530-H533 PolarHBondContact O-N 2.96Å; K531-H533 VanDerWaalsContact C-N 3.33Å
534Y91.6Very high92.9Very high152 Ų15263.9 Ų63.960%0.59634%0.339SS*.  trans-89.5151.2174.560.5-92000111.6T523 I524 Q526T523-Y534 HydrophobicContact CG2-CD2 4.21Å; I524-Y534 WeakPolarHBondContact O-CA 3.45Å; I524-Y534 WeakPolarHBondContact O-CB 3.42Å; Q526-Y534 VanDerWaalsContact NE2-CB 3.28Å
535R93.1Very high92.9Very high40 Ų4062.8 Ų62.815%0.15133%0.334CS..EExtended strand (participates in β ladder)trans-148.2162.7170.968.8171.9-175.691.9-5.2111.8D439 T523 I524D439-R535 IonicContact OD1-CZ 3.07Å; D439-R535 IonicContact OD1-NE 3.16Å; D439-R535 PolarHBondContact OD1-NE 2.91Å; D439-R535 IonicContact OD1-NH2 3.35Å; D439-R535 PolarHBondContact OD1-NH2 3.27Å; D439-R535 IonicContact OD2-NH2 3.53Å; D439-R535 PolarHBondContact OD2-NH2 2.77Å; T523-R535 WeakPolarHBondContact CA-O 3.43Å; I524-R535 HydrophobicContact CD1-CG 4.01Å; I524-R535 HydrophobicContact CG1-CG 3.88Å; I524-R535 PolarHBondContact N-O 3.48Å; I524-R535 PolarHBondContact O-N 3.34Å
536Q95.1Very high93.1Very high152 Ų15262.4 Ų62.471%0.7133%0.325SS*.EExtended strand (participates in β ladder)trans-72.5142167.4-69.1-172.8-6.500110.5I522I522-Q536 WeakPolarHBondContact O-CA 3.22Å
537A94.8Very high93.3Very high8 Ų856.2 Ų56.27%0.06630%0.296CS..EExtended strand (participates in β ladder)trans-145.6172.4174.700000109.7I522 I524I522-A537 HydrophobicContact CG1-CB 4.14Å; I522-A537 WeakPolarHBondContact CG1-O 3.5Å; I522-A537 PolarHBondContact N-O 3.09Å; I522-A537 PolarHBondContact O-N 2.92Å; I524-A537 HydrophobicContact CD1-CB 4.21Å; I524-A537 HydrophobicContact CG1-CB 4.41Å; I524-A537 HydrophobicContact CG2-CB 4.16Å
538Q95.4Very high93.6Very high35 Ų3554.6 Ų54.616%0.16428%0.28CS..  trans-138.6165.417063.4173.431.800111.5Q509 R510 R520 D540Q509-Q538 HydrophobicContact CB-CG 3.8Å; Q509-Q538 HydrophobicContact CG-CG 3.41Å; Q509-Q538 VanDerWaalsContact CG-CG 3.41Å; Q509-Q538 VanDerWaalsContact OE1-CG 3.29Å; R510-Q538 PolarHBondContact N-O 2.78Å; R510-Q538 VanDerWaalsContact N-O 3.13Å; R520-Q538 WeakPolarHBondContact O-CB 3.36Å; Q538-D540 PolarHBondContact NE2-OD1 3.42Å; Q538-D540 VanDerWaalsContact NE2-OD1 3.08Å; Q538-D540 PolarHBondContact NE2-OD2 3.14Å; Q538-D540 VanDerWaalsContact NE2-OD2 3.09Å
539F97.5Very high93.9Very high37 Ų3747.1 Ų47.116%0.16224%0.24CC..EExtended strand (participates in β ladder)trans-108.6139.3161.7-75.8-111.7000110.9R510 L512 L519 I522 M888R510-F539 HydrophobicContact CB-CD1 3.69Å; R510-F539 HydrophobicContact CB-CD2 4.01Å; R510-F539 HydrophobicContact CB-CE1 3.54Å; R510-F539 HydrophobicContact CB-CE2 3.86Å; R510-F539 HydrophobicContact CB-CG 3.93Å; R510-F539 HydrophobicContact CB-CZ 3.63Å; R510-F539 HydrophobicContact CG-CE1 4.5Å; R510-F539 HydrophobicContact CG-CE2 4.48Å; R510-F539 HydrophobicContact CG-CZ 4.23Å; R510-F539 CarbonylContact O-C 3.58Å; R510-F539 VanDerWaalsContact O-CA 3.23Å; R510-F539 WeakPolarHBondContact O-CA 3.35Å; L512-F539 HydrophobicContact CB-CD1 4.07Å; L519-F539 HydrophobicContact CB-CB 3.74Å; L519-F539 HydrophobicContact CB-CD2 4.02Å; L519-F539 HydrophobicContact CB-CG 4.06Å; L519-F539 HydrophobicContact CD1-CB 4.33Å; L519-F539 HydrophobicContact CD1-CD1 4.37Å; L519-F539 HydrophobicContact CD1-CD2 4.29Å; L519-F539 HydrophobicContact CD1-CG 4.09Å; L519-F539 HydrophobicContact CD2-CD2 4.46Å; L519-F539 PolarHBondContact O-N 2.95Å; I522-F539 HydrophobicContact CD1-CD2 3.88Å; I522-F539 HydrophobicContact CD1-CE2 3.58Å; F539-M888 HydrophobicContact CB-CE 3.87Å; F539-M888 WeakPolarHBondContact O-CB 3.46Å
540D95.7Very high94.4Very high19 Ų1941.4 Ų41.410%0.10221%0.205CC..EExtended strand (participates in β ladder)trans-110.2160.7168.4-62.3-45000110.1R510 V511 L512 Q538 A544 T887 M888R510-D540 PolarHBondContact O-N 3.33Å; V511-D540 WeakPolarHBondContact CA-O 3.2Å; V511-D540 WeakPolarHBondContact CB-O 3.44Å; V511-D540 HydrophobicContact CG1-CB 4.25Å; L512-D540 PolarHBondContact N-O 3.11Å; L512-D540 VanDerWaalsContact N-O 3.1Å; Q538-D540 PolarHBondContact NE2-OD1 3.42Å; Q538-D540 VanDerWaalsContact NE2-OD1 3.08Å; Q538-D540 PolarHBondContact NE2-OD2 3.14Å; Q538-D540 VanDerWaalsContact NE2-OD2 3.09Å; D540-A544 HydrophobicContact CB-CB 4.14Å; D540-T887 WeakPolarHBondContact OD1-CB 3.42Å; D540-T887 PolarHBondContact OD1-OG1 3.06Å; D540-M888 WeakPolarHBondContact O-CE 3.4Å
541I95.2Very high94.8Very high1 Ų138.3 Ų38.31%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-65.7144.2173.7-162.4163.8000109.8S391 L512 D513 V543 A544 F617 T887 P889S391-I541 VanDerWaalsContact OG-CD1 3.27Å; S391-I541 WeakPolarHBondContact OG-CD1 3.19Å; L512-I541 VanDerWaalsContact O-CA 3.27Å; L512-I541 WeakPolarHBondContact O-CA 3.41Å; D513-I541 WeakPolarHBondContact OD1-CG1 3.33Å; I541-V543 HydrophobicContact CG1-CG2 4.35Å; I541-V543 HydrophobicContact CG2-CG2 3.66Å; I541-V543 PolarHBondContact O-N 3.46Å; I541-V543 VanDerWaalsContact O-N 3.09Å; I541-A544 HydrophobicContact CG2-CB 3.94Å; I541-A544 WeakPolarHBondContact O-CA 3.4Å; I541-A544 WeakPolarHBondContact O-CB 3.44Å; I541-A544 PolarHBondContact O-N 3.3Å; I541-F617 HydrophobicContact CG2-CE1 3.9Å; I541-F617 HydrophobicContact CG2-CE2 4.08Å; I541-F617 HydrophobicContact CG2-CZ 3.49Å; I541-F617 VanDerWaalsContact CG2-CZ 3.49Å; I541-T887 WeakPolarHBondContact CG2-O 3.4Å; I541-T887 PolarHBondContact N-O 2.93Å; I541-P889 HydrophobicContact CD1-CG 3.81Å
542A96.6Very high95.5Very high0 Ų030 Ų300%015%0.154CC..G310 helixtrans-53.7-37.9-172.100000114.3I424 T428 V511 L512 D513 A544 S545I424-A542 HydrophobicContact CG2-CB 3.52Å; T428-A542 WeakPolarHBondContact OG1-CB 3.4Å; V511-A542 HydrophobicContact CG2-CB 4.37Å; L512-A542 PolarHBondContact O-N 2.95Å; L512-A542 VanDerWaalsContact O-N 3.15Å; D513-A542 HydrophobicContact CB-CB 3.72Å; A542-A544 PolarHBondContact O-N 3.39Å; A542-S545 VanDerWaalsContact O-CB 3.22Å; A542-S545 WeakPolarHBondContact O-CB 3.34Å; A542-S545 PolarHBondContact O-N 3.49Å
543V94.4Very high96.1Very high5 Ų527.3 Ų27.33%0.0313%0.126CC..G310 helixtrans-69.1-8.9176.9-62.30000114.9I424 I541 M548 G615 F617I424-V543 HydrophobicContact CD1-CG1 4.01Å; I541-V543 HydrophobicContact CG1-CG2 4.35Å; I541-V543 HydrophobicContact CG2-CG2 3.66Å; I541-V543 PolarHBondContact O-N 3.46Å; I541-V543 VanDerWaalsContact O-N 3.09Å; V543-M548 HydrophobicContact CG1-CE 3.94Å; V543-G615 WeakPolarHBondContact CB-O 3.36Å; V543-F617 HydrophobicContact CB-CD1 4.38Å; V543-F617 HydrophobicContact CG2-CD1 3.56Å; V543-F617 HydrophobicContact CG2-CE1 3.32Å; V543-F617 HydrophobicContact CG2-CZ 4.25Å; V543-F617 PolarHBondContact O-N 3.48Å
544A95.2Very high96.6Very high18 Ų1823.7 Ų23.715%0.14911%0.11CC..G310 helixtrans-87.2-9.7171.500000113.2D540 I541 A542 F617 I620D540-A544 HydrophobicContact CB-CB 4.14Å; I541-A544 HydrophobicContact CG2-CB 3.94Å; I541-A544 WeakPolarHBondContact O-CA 3.4Å; I541-A544 WeakPolarHBondContact O-CB 3.44Å; I541-A544 PolarHBondContact O-N 3.3Å; A542-A544 PolarHBondContact O-N 3.39Å; A544-F617 HydrophobicContact CB-CD2 4.4Å; A544-I620 HydrophobicContact CB-CD1 3.66Å
545S96.9Very high96.8Very high7 Ų719.4 Ų19.45%0.04910%0.097CC..SBendtrans-60.7143.2177.7179.70000111.9N431 A542 I547 M548 A549N431-S545 WeakPolarHBondContact OD1-CB 3.45Å; N431-S545 PolarHBondContact OD1-OG 3.06Å; A542-S545 VanDerWaalsContact O-CB 3.22Å; A542-S545 WeakPolarHBondContact O-CB 3.34Å; A542-S545 PolarHBondContact O-N 3.49Å; S545-I547 PolarHBondContact O-N 3.37Å; S545-I547 PolarHBondContact OG-N 3.43Å; S545-I547 VanDerWaalsContact OG-N 3.09Å; S545-M548 WeakPolarHBondContact O-CB 3.43Å; S545-M548 PolarHBondContact O-N 2.85Å; S545-M548 VanDerWaalsContact O-N 3.11Å; S545-A549 PolarHBondContact O-N 3.37Å
546E98.1Very high97Very high19 Ų1919.4 Ų19.49%0.08910%0.103CC..Hα-helixtrans-60.4-30.7168.7177.3170.3-17100111.9W508 M548 A549 V550 M567 S872 I873 G874 A875W508-E546 HydrophobicContact CH2-CB 4Å; W508-E546 HydrophobicContact CZ3-CB 3.91Å; E546-M548 PolarHBondContact O-N 2.76Å; E546-A549 CarbonylContact O-C 3.49Å; E546-A549 WeakPolarHBondContact O-CA 3.17Å; E546-A549 WeakPolarHBondContact O-CB 3.15Å; E546-A549 PolarHBondContact O-N 3.5Å; E546-V550 HydrophobicContact CG-CG2 4.31Å; E546-V550 WeakPolarHBondContact O-CG2 3.26Å; E546-V550 PolarHBondContact O-N 2.67Å; E546-M567 HydrophobicContact CB-SD 4.48Å; E546-M567 HydrophobicContact CG-CG 4.31Å; E546-M567 HydrophobicContact CG-SD 4.04Å; E546-S872 VanDerWaalsContact CD-CA 3.5Å; E546-S872 WeakPolarHBondContact OE1-CA 3.25Å; E546-I873 PolarHBondContact OE1-N 3.47Å; E546-G874 VanDerWaalsContact OE1-CA 3.32Å; E546-G874 WeakPolarHBondContact OE1-CA 3.48Å; E546-G874 PolarHBondContact OE1-N 3.16Å; E546-A875 HydrophobicContact CG-CB 4.26Å; E546-A875 PolarHBondContact OE1-N 3.42Å; E546-A875 VanDerWaalsContact OE1-N 3.11Å
547I98.6Very high97.2Very high2 Ų216 Ų161%0.019%0.089CC..Hα-helixtrans-61.6-35.2176.3-61.9-176.5000110.8I427 A430 N431 W508 S545 A549 V550 L551 L564 M567 M593I427-I547 HydrophobicContact CG1-CG2 4.21Å; I427-I547 HydrophobicContact CG2-CB 4.33Å; I427-I547 HydrophobicContact CG2-CG2 4.37Å; A430-I547 HydrophobicContact CB-CD1 3.77Å; N431-I547 HydrophobicContact CB-CD1 4.1Å; W508-I547 HydrophobicContact CH2-CD1 4.44Å; W508-I547 HydrophobicContact CH2-CG1 3.95Å; W508-I547 HydrophobicContact CZ2-CD1 4.15Å; W508-I547 HydrophobicContact CZ2-CG1 4.11Å; S545-I547 PolarHBondContact O-N 3.37Å; S545-I547 PolarHBondContact OG-N 3.43Å; S545-I547 VanDerWaalsContact OG-N 3.09Å; I547-A549 VanDerWaalsContact C-N 3.34Å; I547-V550 PolarHBondContact O-N 2.71Å; I547-L551 WeakPolarHBondContact O-CB 3.49Å; I547-L551 PolarHBondContact O-N 3.24Å; I547-L564 HydrophobicContact CD1-CD2 4.36Å; I547-L564 HydrophobicContact CG1-CD2 4.01Å; I547-L564 HydrophobicContact CG2-CD2 4.18Å; I547-M567 HydrophobicContact CD1-CE 4.23Å; I547-M567 HydrophobicContact CG1-CE 3.92Å; I547-M567 HydrophobicContact CG1-SD 3.86Å; I547-M593 HydrophobicContact CG2-CE 3.89Å; I547-M593 HydrophobicContact CG2-CG 4.3Å; I547-M593 HydrophobicContact CG2-SD 3.87Å
548M98.5Very high97.3Very high0 Ų019.2 Ų19.20%012%0.116CC..Hα-helixtrans-63.9-40.4173179.357.289.700111.4I424 I427 V543 S545 E546 L551 A552 A614 G615 P616I424-M548 HydrophobicContact CG1-CE 3.91Å; I427-M548 HydrophobicContact CD1-CB 4.08Å; I427-M548 HydrophobicContact CD1-CE 3.22Å; I427-M548 HydrophobicContact CD1-CG 4.4Å; I427-M548 HydrophobicContact CD1-SD 3.52Å; I427-M548 VanDerWaalsContact CD1-SD 3.52Å; I427-M548 HydrophobicContact CG2-CB 4.5Å; V543-M548 HydrophobicContact CG1-CE 3.94Å; S545-M548 WeakPolarHBondContact O-CB 3.43Å; S545-M548 PolarHBondContact O-N 2.85Å; S545-M548 VanDerWaalsContact O-N 3.11Å; E546-M548 PolarHBondContact O-N 2.76Å; M548-L551 PolarHBondContact O-N 3.37Å; M548-L551 HydrophobicContact SD-CD2 4.37Å; M548-A552 WeakPolarHBondContact O-CB 3.44Å; M548-A552 PolarHBondContact O-N 3.32Å; M548-A614 HydrophobicContact SD-CB 3.99Å; M548-G615 PolarHBondContact SD-N 3.08Å; M548-P616 HydrophobicContact CG-CB 3.99Å
549A98.3Very high97.5Very high1 Ų118.9 Ų18.91%0.00812%0.115CC..Hα-helixtrans-68.8-36.4175.900000112.3S545 E546 I547 A552 L553 A621 A875 F877S545-A549 PolarHBondContact O-N 3.37Å; E546-A549 CarbonylContact O-C 3.49Å; E546-A549 WeakPolarHBondContact O-CA 3.17Å; E546-A549 WeakPolarHBondContact O-CB 3.15Å; E546-A549 PolarHBondContact O-N 3.5Å; I547-A549 VanDerWaalsContact C-N 3.34Å; A549-A552 PolarHBondContact O-N 3.42Å; A549-L553 WeakPolarHBondContact O-CB 3.44Å; A549-L553 WeakPolarHBondContact O-CG 3.45Å; A549-L553 PolarHBondContact O-N 3.14Å; A549-L553 VanDerWaalsContact O-N 3.08Å; A549-A621 HydrophobicContact CB-CB 4.31Å; A549-A875 HydrophobicContact CB-CB 3.71Å; A549-F877 HydrophobicContact CB-CE1 4.16Å; A549-F877 HydrophobicContact CB-CZ 4.1Å
550V98.8Very high97.5Very high0 Ų017.2 Ų17.20%011%0.108CC..Hα-helixtrans-62-48.7172.3167.30000110.8E546 I547 A552 L553 T554 M560 R563 L564 M567 A875E546-V550 HydrophobicContact CG-CG2 4.31Å; E546-V550 WeakPolarHBondContact O-CG2 3.26Å; E546-V550 PolarHBondContact O-N 2.67Å; I547-V550 PolarHBondContact O-N 2.71Å; V550-A552 VanDerWaalsContact C-N 3.25Å; V550-A552 PolarHBondContact O-N 2.95Å; V550-L553 PolarHBondContact O-N 3.22Å; V550-T554 WeakPolarHBondContact O-CB 3.43Å; V550-T554 PolarHBondContact O-N 3.47Å; V550-M560 HydrophobicContact CG1-CG 4.04Å; V550-R563 HydrophobicContact CB-CB 4.48Å; V550-R563 HydrophobicContact CG1-CB 3.6Å; V550-R563 HydrophobicContact CG2-CB 4.11Å; V550-L564 HydrophobicContact CG1-CD2 4.19Å; V550-L564 HydrophobicContact CG1-CG 4.22Å; V550-M567 HydrophobicContact CG2-SD 4.32Å; V550-A875 HydrophobicContact CG2-CB 4.3Å
551L98.8Very high97.7Very high1 Ų121 Ų211%0.00512%0.124CC..Hα-helixtrans-56.7-41.4176.2175.362.6000111.6I427 I547 M548 M593 A596 I597 A614I427-L551 HydrophobicContact CD1-CD2 3.91Å; I547-L551 WeakPolarHBondContact O-CB 3.49Å; I547-L551 PolarHBondContact O-N 3.24Å; M548-L551 PolarHBondContact O-N 3.37Å; M548-L551 HydrophobicContact SD-CD2 4.37Å; L551-M593 HydrophobicContact CB-CE 4.26Å; L551-M593 HydrophobicContact CD1-CE 4.35Å; L551-M593 HydrophobicContact CD2-CE 4.16Å; L551-M593 HydrophobicContact CG-CE 4.48Å; L551-A596 VanDerWaalsContact CD1-O 3.3Å; L551-A596 WeakPolarHBondContact CD1-O 3.45Å; L551-I597 HydrophobicContact CD1-CB 4.4Å; L551-I597 HydrophobicContact CD1-CG1 4.46Å; L551-A614 HydrophobicContact CD2-CB 4.16Å; L551-A614 HydrophobicContact CG-CB 4.11Å
552A98.4Very high97.8Very high0 Ų023 Ų230%014%0.14CC..Hα-helixtrans-72.6-27.5-179.300000113.9M548 A549 V550 A614 P616 H622 S626 V627M548-A552 WeakPolarHBondContact O-CB 3.44Å; M548-A552 PolarHBondContact O-N 3.32Å; A549-A552 PolarHBondContact O-N 3.42Å; V550-A552 VanDerWaalsContact C-N 3.25Å; V550-A552 PolarHBondContact O-N 2.95Å; A552-A614 HydrophobicContact CB-CB 3.71Å; A552-P616 HydrophobicContact CB-CG 3.85Å; A552-H622 VanDerWaalsContact CB-CE1 3.45Å; A552-H622 WeakPolarHBondContact CB-CE1 3.24Å; A552-H622 WeakPolarHBondContact CB-NE2 3.49Å; A552-S626 CarbonylContact O-C 3.46Å; A552-S626 VanDerWaalsContact O-CA 3.26Å; A552-S626 WeakPolarHBondContact O-CA 3.49Å; A552-V627 PolarHBondContact O-N 3.06Å
553L98.8Very high97.9Very high1 Ų124.2 Ų24.21%0.00514%0.144CC..Hα-helixtrans-103-8.6-175-68.4173.4000114.7A549 V550 H622 I661 K662 A665 A875 F877A549-L553 WeakPolarHBondContact O-CB 3.44Å; A549-L553 WeakPolarHBondContact O-CG 3.45Å; A549-L553 PolarHBondContact O-N 3.14Å; A549-L553 VanDerWaalsContact O-N 3.08Å; V550-L553 PolarHBondContact O-N 3.22Å; L553-H622 VanDerWaalsContact CG-CE1 3.49Å; L553-H622 WeakPolarHBondContact CG-CE1 3.23Å; L553-I661 HydrophobicContact CD1-CG2 3.92Å; L553-I661 HydrophobicContact CD2-CG2 4.2Å; L553-K662 HydrophobicContact CD2-CB 4.24Å; L553-K662 HydrophobicContact CD2-CG 4.42Å; L553-A665 HydrophobicContact CB-CB 4.39Å; L553-A665 HydrophobicContact CD2-CB 4.02Å; L553-A875 HydrophobicContact CD1-CB 4.31Å; L553-A875 WeakPolarHBondContact CD1-O 3.42Å; L553-F877 HydrophobicContact CD1-CD1 4.17Å; L553-F877 HydrophobicContact CD1-CE1 4.03Å
554T98.5Very high98.1Very high0 Ų024 Ų240%014%0.143CC..  trans-74.4151.2-177.7-163.60000113.1V550 S556 D559 M560 I597 L628V550-T554 WeakPolarHBondContact O-CB 3.43Å; V550-T554 PolarHBondContact O-N 3.47Å; T554-S556 PolarHBondContact OG1-O 3.15Å; T554-S556 VanDerWaalsContact OG1-O 3.08Å; T554-D559 WeakPolarHBondContact CA-OD2 3.2Å; T554-D559 WeakPolarHBondContact CB-OD2 3.41Å; T554-D559 PolarHBondContact OG1-OD2 2.83Å; T554-M560 HydrophobicContact CG2-CB 3.97Å; T554-M560 HydrophobicContact CG2-CG 4.27Å; T554-M560 VanDerWaalsContact OG1-CA 3.3Å; T554-M560 WeakPolarHBondContact OG1-CA 3.45Å; T554-M560 WeakPolarHBondContact OG1-CB 3.42Å; T554-M560 PolarHBondContact OG1-N 3.31Å; T554-I597 HydrophobicContact CG2-CD1 4.17Å; T554-I597 HydrophobicContact CG2-CG1 4.23Å; T554-L628 HydrophobicContact CG2-CD1 3.95Å
555D96.4Very high98.3Very high61 Ų6123.1 Ų23.133%0.32614%0.136SC..SBendtrans-111.5-5.7177.673.32.4000115.1D559 V627 L628 K631D555-D559 PolarHBondContact N-OD2 3Å; D555-D559 VanDerWaalsContact N-OD2 3.16Å; D555-D559 WeakPolarHBondContact OD1-CB 3.38Å; D555-V627 HydrophobicContact CB-CG1 4.43Å; D555-L628 VanDerWaalsContact C-CD2 3.48Å; D555-L628 WeakPolarHBondContact O-CD2 3.45Å; D555-K631 IonicContact OD2-NZ 3.63Å
556S97.9Very high98.3Very high40 Ų4028 Ų2828%0.2815%0.153SC..SBendtrans-167.5165.3-176.863.20000111T554 A558 D559 M560T554-S556 PolarHBondContact OG1-O 3.15Å; T554-S556 VanDerWaalsContact OG1-O 3.08Å; S556-A558 VanDerWaalsContact C-N 3.26Å; S556-A558 PolarHBondContact O-N 2.82Å; S556-D559 PolarHBondContact O-N 2.98Å; S556-D559 VanDerWaalsContact OG-CB 3.28Å; S556-D559 WeakPolarHBondContact OG-CB 3.26Å; S556-D559 PolarHBondContact OG-N 3.33Å; S556-M560 WeakPolarHBondContact O-CB 3.19Å; S556-M560 PolarHBondContact O-N 3.4Å
557L98Very high98.3Very high80 Ų8027 Ų2742%0.41915%0.149SC..Hα-helixtrans-62.6-35.2174.2-178.459.5000112.2M560 K561 T590 I597L557-M560 HydrophobicContact CD1-CE 3.75Å; L557-M560 PolarHBondContact O-N 3.11Å; L557-K561 WeakPolarHBondContact O-CB 3.25Å; L557-K561 PolarHBondContact O-N 2.97Å; L557-T590 HydrophobicContact CD1-CG2 3.82Å; L557-I597 HydrophobicContact CB-CD1 4.24Å; L557-I597 HydrophobicContact CD1-CD1 4.23Å
558A98.1Very high98.3Very high76 Ų7627.8 Ų27.863%0.62815%0.154SC*.Hα-helixtrans-67.5-44.8177.800000111.5S556 K561 A562S556-A558 VanDerWaalsContact C-N 3.26Å; S556-A558 PolarHBondContact O-N 2.82Å; A558-K561 PolarHBondContact O-N 3.35Å; A558-A562 WeakPolarHBondContact O-CB 3.4Å; A558-A562 PolarHBondContact O-N 3.47Å
559D98.6Very high98.2Very high29 Ų2927.8 Ų27.816%0.15515%0.154CC..Hα-helixtrans-64.3-41.4174.9175.851.3000111.4T554 D555 S556 K561 A562 R563T554-D559 WeakPolarHBondContact CA-OD2 3.2Å; T554-D559 WeakPolarHBondContact CB-OD2 3.41Å; T554-D559 PolarHBondContact OG1-OD2 2.83Å; D555-D559 PolarHBondContact N-OD2 3Å; D555-D559 VanDerWaalsContact N-OD2 3.16Å; D555-D559 WeakPolarHBondContact OD1-CB 3.38Å; S556-D559 PolarHBondContact O-N 2.98Å; S556-D559 VanDerWaalsContact OG-CB 3.28Å; S556-D559 WeakPolarHBondContact OG-CB 3.26Å; S556-D559 PolarHBondContact OG-N 3.33Å; D559-K561 PolarHBondContact O-N 3.05Å; D559-A562 PolarHBondContact O-N 2.84Å; D559-R563 VanDerWaalsContact CG-NE 3.32Å; D559-R563 WeakPolarHBondContact O-CB 3.45Å; D559-R563 VanDerWaalsContact O-CG 3.28Å; D559-R563 WeakPolarHBondContact O-CG 3.44Å; D559-R563 PolarHBondContact O-N 3.16Å; D559-R563 IonicContact OD1-CZ 3.14Å; D559-R563 IonicContact OD1-NE 3.93Å; D559-R563 PolarHBondContact OD1-NE 3.33Å; D559-R563 VanDerWaalsContact OD1-NE 3.1Å; D559-R563 WeakPolarHBondContact OD2-CD 3.44Å; D559-R563 IonicContact OD2-CZ 2.67Å; D559-R563 IonicContact OD2-NE 3.77Å; D559-R563 PolarHBondContact OD2-NE 3.45Å; D559-R563 IonicContact OD2-NH2 3.04Å
560M98.6Very high98.1Very high1 Ų127.9 Ų27.91%0.00515%0.154CC..Hα-helixtrans-60-47.4177.1-170.2178.168.800110.9V550 T554 S556 L557 A562 R563 L564 T590 M593 I597V550-M560 HydrophobicContact CG1-CG 4.04Å; T554-M560 HydrophobicContact CG2-CB 3.97Å; T554-M560 HydrophobicContact CG2-CG 4.27Å; T554-M560 VanDerWaalsContact OG1-CA 3.3Å; T554-M560 WeakPolarHBondContact OG1-CA 3.45Å; T554-M560 WeakPolarHBondContact OG1-CB 3.42Å; T554-M560 PolarHBondContact OG1-N 3.31Å; S556-M560 WeakPolarHBondContact O-CB 3.19Å; S556-M560 PolarHBondContact O-N 3.4Å; L557-M560 HydrophobicContact CD1-CE 3.75Å; L557-M560 PolarHBondContact O-N 3.11Å; M560-A562 VanDerWaalsContact C-N 3.32Å; M560-A562 PolarHBondContact O-N 3.13Å; M560-R563 PolarHBondContact O-N 2.79Å; M560-L564 HydrophobicContact CG-CD1 4.15Å; M560-L564 HydrophobicContact CG-CG 4.43Å; M560-L564 WeakPolarHBondContact O-CB 3.35Å; M560-L564 VanDerWaalsContact O-CG 3.27Å; M560-L564 WeakPolarHBondContact O-CG 3.36Å; M560-L564 PolarHBondContact O-N 3.3Å; M560-T590 HydrophobicContact CE-CG2 4.48Å; M560-M593 HydrophobicContact CE-CB 3.53Å; M560-M593 HydrophobicContact SD-CB 4.02Å; M560-I597 HydrophobicContact CB-CD1 3.96Å; M560-I597 HydrophobicContact CE-CB 4.1Å; M560-I597 HydrophobicContact CE-CD1 3.87Å; M560-I597 HydrophobicContact CE-CG1 4.33Å; M560-I597 HydrophobicContact CG-CD1 4.47Å; M560-I597 HydrophobicContact SD-CB 4.04Å; M560-I597 HydrophobicContact SD-CD1 3.77Å; M560-I597 HydrophobicContact SD-CG1 3.91Å
561K98.6Very high98Very high99 Ų9928.4 Ų28.443%0.4316%0.158SC..Hα-helixtrans-57.2-45.9175.5-178176.6179.3-175.30111.2L557 A558 D559 L564 G565 T586 T590L557-K561 WeakPolarHBondContact O-CB 3.25Å; L557-K561 PolarHBondContact O-N 2.97Å; A558-K561 PolarHBondContact O-N 3.35Å; D559-K561 PolarHBondContact O-N 3.05Å; K561-L564 PolarHBondContact O-N 3.09Å; K561-G565 PolarHBondContact O-N 3.47Å; K561-T586 HydrophobicContact CG-CG2 4.01Å; K561-T586 VanDerWaalsContact O-CG2 3.25Å; K561-T586 WeakPolarHBondContact O-CG2 3.45Å; K561-T590 HydrophobicContact CB-CG2 4.07Å; K561-T590 HydrophobicContact CG-CG2 4.38Å; K561-T590 WeakPolarHBondContact CG-OG1 3.4Å
562A98.4Very high97.9Very high42 Ų4229.9 Ų29.935%0.34717%0.166SC..Hα-helixtrans-65-39.6179.100000112.5A558 D559 M560 G565 R566A558-A562 WeakPolarHBondContact O-CB 3.4Å; A558-A562 PolarHBondContact O-N 3.47Å; D559-A562 PolarHBondContact O-N 2.84Å; M560-A562 VanDerWaalsContact C-N 3.32Å; M560-A562 PolarHBondContact O-N 3.13Å; A562-G565 PolarHBondContact O-N 3.33Å; A562-R566 WeakPolarHBondContact O-CG 3.38Å; A562-R566 PolarHBondContact O-N 3.42Å; A562-R566 VanDerWaalsContact O-N 3.16Å; A562-R566 PolarHBondContact O-NH1 2.92Å
563R98.6Very high97.7Very high26 Ų2636.6 Ų36.610%0.09820%0.195CC..Hα-helixtrans-65.6-44.8175.9-74175.1177.7-85.45.4112.1V550 D559 M560 G565 R566 M567 G874 A875V550-R563 HydrophobicContact CB-CB 4.48Å; V550-R563 HydrophobicContact CG1-CB 3.6Å; V550-R563 HydrophobicContact CG2-CB 4.11Å; D559-R563 VanDerWaalsContact CG-NE 3.32Å; D559-R563 WeakPolarHBondContact O-CB 3.45Å; D559-R563 VanDerWaalsContact O-CG 3.28Å; D559-R563 WeakPolarHBondContact O-CG 3.44Å; D559-R563 PolarHBondContact O-N 3.16Å; D559-R563 IonicContact OD1-CZ 3.14Å; D559-R563 IonicContact OD1-NE 3.93Å; D559-R563 PolarHBondContact OD1-NE 3.33Å; D559-R563 VanDerWaalsContact OD1-NE 3.1Å; D559-R563 WeakPolarHBondContact OD2-CD 3.44Å; D559-R563 IonicContact OD2-CZ 2.67Å; D559-R563 IonicContact OD2-NE 3.77Å; D559-R563 PolarHBondContact OD2-NE 3.45Å; D559-R563 IonicContact OD2-NH2 3.04Å; M560-R563 PolarHBondContact O-N 2.79Å; R563-G565 VanDerWaalsContact C-N 3.3Å; R563-G565 PolarHBondContact O-N 2.74Å; R563-R566 PolarHBondContact O-N 3.17Å; R563-M567 WeakPolarHBondContact O-CG 3.26Å; R563-M567 PolarHBondContact O-N 2.85Å; R563-G874 WeakPolarHBondContact CB-O 3.17Å; R563-G874 VanDerWaalsContact CG-O 3.27Å; R563-G874 WeakPolarHBondContact CG-O 3.45Å; R563-G874 PolarHBondContact NH1-O 3.16Å; R563-G874 WeakPolarHBondContact O-CA 3.3Å; R563-A875 PolarHBondContact NH1-O 2.9Å
564L98.7Very high97.4Very high1 Ų140.6 Ų40.61%0.00522%0.223CC..Hα-helixtrans-58.1-44.2175-70.8171.2000110.7I547 V550 M560 K561 R566 M567 A580 T586 L589I547-L564 HydrophobicContact CD1-CD2 4.36Å; I547-L564 HydrophobicContact CG1-CD2 4.01Å; I547-L564 HydrophobicContact CG2-CD2 4.18Å; V550-L564 HydrophobicContact CG1-CD2 4.19Å; V550-L564 HydrophobicContact CG1-CG 4.22Å; M560-L564 HydrophobicContact CG-CD1 4.15Å; M560-L564 HydrophobicContact CG-CG 4.43Å; M560-L564 WeakPolarHBondContact O-CB 3.35Å; M560-L564 VanDerWaalsContact O-CG 3.27Å; M560-L564 WeakPolarHBondContact O-CG 3.36Å; M560-L564 PolarHBondContact O-N 3.3Å; K561-L564 PolarHBondContact O-N 3.09Å; L564-R566 VanDerWaalsContact C-N 3.33Å; L564-R566 PolarHBondContact O-N 3.32Å; L564-M567 HydrophobicContact CB-CE 4.32Å; L564-M567 HydrophobicContact CD2-CE 3.68Å; L564-M567 HydrophobicContact CD2-SD 4.06Å; L564-M567 WeakPolarHBondContact O-CB 3.22Å; L564-M567 WeakPolarHBondContact O-CE 3.38Å; L564-M567 WeakPolarHBondContact O-CG 3.26Å; L564-M567 PolarHBondContact O-N 3.39Å; L564-A580 VanDerWaalsContact O-CB 3.27Å; L564-A580 WeakPolarHBondContact O-CB 3.23Å; L564-T586 HydrophobicContact CB-CG2 4.33Å; L564-L589 HydrophobicContact CD1-CB 4.06Å
565G98Very high97.1Very high0 Ų042.2 Ų42.20%024%0.24CC..Hα-helixtrans-62.8-35.2178.200000114.4K561 A562 R563 M567 T579 D581 T586K561-G565 PolarHBondContact O-N 3.47Å; A562-G565 PolarHBondContact O-N 3.33Å; R563-G565 VanDerWaalsContact C-N 3.3Å; R563-G565 PolarHBondContact O-N 2.74Å; G565-M567 VanDerWaalsContact C-N 3.32Å; G565-M567 PolarHBondContact O-N 2.85Å; G565-T579 WeakPolarHBondContact O-CB 3.49Å; G565-D581 VanDerWaalsContact CA-CG 3.47Å; G565-D581 VanDerWaalsContact CA-OD1 3.26Å; G565-D581 WeakPolarHBondContact CA-OD1 3.36Å; G565-D581 PolarHBondContact O-N 2.91Å; G565-T586 VanDerWaalsContact CA-OG1 3.32Å; G565-T586 WeakPolarHBondContact CA-OG1 3.41Å
566R97.5Very high97Very high108 Ų10844.6 Ų44.641%0.40825%0.249SC..THydrogen-bonded Turntrans-77.3-8.6178.5-70.3-170-53.7-91.98.1114.9A562 R563 L564 V568 I873A562-R566 WeakPolarHBondContact O-CG 3.38Å; A562-R566 PolarHBondContact O-N 3.42Å; A562-R566 VanDerWaalsContact O-N 3.16Å; A562-R566 PolarHBondContact O-NH1 2.92Å; R563-R566 PolarHBondContact O-N 3.17Å; L564-R566 VanDerWaalsContact C-N 3.33Å; L564-R566 PolarHBondContact O-N 3.32Å; R566-V568 PolarHBondContact O-N 2.8Å; R566-I873 WeakPolarHBondContact O-CG2 3.49Å
567M98.4Very high96.9Very high0 Ų043.8 Ų43.80%024%0.243CC..  trans-60.1124.8179.8-65.8-172.9-53.800110L434 W508 E546 I547 V550 R563 L564 G565 T579 A580 L589L434-M567 HydrophobicContact CD2-CE 3.65Å; W508-M567 HydrophobicContact CH2-CE 3.81Å; W508-M567 HydrophobicContact CH2-SD 3.53Å; W508-M567 VanDerWaalsContact CH2-SD 3.53Å; W508-M567 HydrophobicContact CZ2-CE 4.45Å; W508-M567 HydrophobicContact CZ3-CB 4.22Å; W508-M567 HydrophobicContact CZ3-CE 4.34Å; W508-M567 HydrophobicContact CZ3-SD 3.88Å; E546-M567 HydrophobicContact CB-SD 4.48Å; E546-M567 HydrophobicContact CG-CG 4.31Å; E546-M567 HydrophobicContact CG-SD 4.04Å; I547-M567 HydrophobicContact CD1-CE 4.23Å; I547-M567 HydrophobicContact CG1-CE 3.92Å; I547-M567 HydrophobicContact CG1-SD 3.86Å; V550-M567 HydrophobicContact CG2-SD 4.32Å; R563-M567 WeakPolarHBondContact O-CG 3.26Å; R563-M567 PolarHBondContact O-N 2.85Å; L564-M567 HydrophobicContact CB-CE 4.32Å; L564-M567 HydrophobicContact CD2-CE 3.68Å; L564-M567 HydrophobicContact CD2-SD 4.06Å; L564-M567 WeakPolarHBondContact O-CB 3.22Å; L564-M567 WeakPolarHBondContact O-CE 3.38Å; L564-M567 WeakPolarHBondContact O-CG 3.26Å; L564-M567 PolarHBondContact O-N 3.39Å; G565-M567 VanDerWaalsContact C-N 3.32Å; G565-M567 PolarHBondContact O-N 2.85Å; M567-T579 CarbonylContact O-C 3.5Å; M567-T579 WeakPolarHBondContact O-CA 3.49Å; M567-A580 HydrophobicContact CB-CB 4.49Å; M567-A580 HydrophobicContact CE-CB 4.4Å; M567-A580 PolarHBondContact O-N 3.2Å; M567-L589 HydrophobicContact CE-CD1 3.86Å
568V97.8Very high96.9Very high18 Ų1840.2 Ų40.211%0.10922%0.224CC..EExtended strand (participates in β ladder)trans-93.7122.8179.91770000108.8T507 R566 A570 P577 V578 T579 F835 I873T507-V568 PolarHBondContact OG1-O 3.25Å; R566-V568 PolarHBondContact O-N 2.8Å; V568-A570 WeakPolarHBondContact CG1-O 3.21Å; V568-P577 HydrophobicContact CG1-CB 3.92Å; V568-P577 HydrophobicContact CG2-CB 3.94Å; V568-V578 WeakPolarHBondContact CA-O 3.37Å; V568-T579 HydrophobicContact CG2-CG2 4.13Å; V568-F835 HydrophobicContact CG2-CE2 4.35Å; V568-F835 HydrophobicContact CG2-CZ 3.98Å; V568-I873 HydrophobicContact CB-CB 4.41Å; V568-I873 HydrophobicContact CB-CG1 4.06Å; V568-I873 HydrophobicContact CG2-CB 3.91Å; V568-I873 HydrophobicContact CG2-CG1 3.76Å; V568-I873 HydrophobicContact CG2-CG2 4Å
569V97.3Very high96.9Very high0 Ų037.4 Ų37.40%020%0.199CC..EExtended strand (participates in β ladder)trans-102.4-25-175.1-62.30000113.6L434 I438 I506 T507 W508 V578 L583L434-V569 HydrophobicContact CD1-CG1 4.01Å; L434-V569 HydrophobicContact CD2-CG1 3.88Å; L434-V569 HydrophobicContact CG-CG1 4.06Å; I438-V569 HydrophobicContact CD1-CB 3.65Å; I438-V569 HydrophobicContact CD1-CG1 3.9Å; I438-V569 HydrophobicContact CD1-CG2 4.08Å; I438-V569 HydrophobicContact CG1-CB 4.2Å; I438-V569 HydrophobicContact CG1-CG1 4.48Å; I438-V569 HydrophobicContact CG1-CG2 4.07Å; I506-V569 WeakPolarHBondContact CA-O 3.1Å; T507-V569 PolarHBondContact N-O 2.69Å; T507-V569 PolarHBondContact OG1-O 2.85Å; W508-V569 HydrophobicContact CB-CB 3.96Å; W508-V569 HydrophobicContact CB-CG1 4.05Å; W508-V569 HydrophobicContact CD2-CG1 4.11Å; W508-V569 HydrophobicContact CE3-CG1 4.02Å; W508-V569 HydrophobicContact CG-CG1 4.12Å; W508-V569 PolarHBondContact N-O 3.45Å; V569-V578 HydrophobicContact CG2-CG1 4.23Å; V569-V578 WeakPolarHBondContact CG2-O 3.16Å; V569-V578 PolarHBondContact N-O 3.47Å; V569-L583 HydrophobicContact CG2-CD1 3.95Å
570A96.6Very high96.9Very high2 Ų236 Ų362%0.01719%0.192CC..EExtended strand (participates in β ladder)trans-165.2174.1-179.700000110I501 I506 V568 V578I501-A570 HydrophobicContact CG2-CB 3.73Å; I506-A570 HydrophobicContact CG1-CB 4.03Å; V568-A570 WeakPolarHBondContact CG1-O 3.21Å; A570-V578 PolarHBondContact O-N 2.86Å
571S96.3Very high96.8Very high11 Ų1138.9 Ų38.98%0.07721%0.207CC..EExtended strand (participates in β ladder)trans-99.2153.1158.7-550000109.9D502 T505 Q576 Q833D502-S571 PolarHBondContact N-O 2.81Å; T505-S571 PolarHBondContact OG1-N 3.45Å; T505-S571 PolarHBondContact OG1-O 3.08Å; T505-S571 VanDerWaalsContact OG1-O 3.08Å; S571-Q576 CarbonylContact C-O 3.57Å; S571-Q576 VanDerWaalsContact CA-O 3.24Å; S571-Q576 WeakPolarHBondContact CA-O 3.45Å; S571-Q833 PolarHBondContact OG-NE2 3.08Å
572D95.8Very high96.7Very high32 Ų3234.6 Ų34.617%0.17119%0.189CC..BIsolated β-bridgetrans-76173.3165.271.417.1000110.7L499 D500 S574 G575 Q576 V578L499-D572 VanDerWaalsContact O-CB 3.27Å; L499-D572 WeakPolarHBondContact O-CB 3.21Å; D500-D572 CarbonylContact O-C 3.5Å; D500-D572 WeakPolarHBondContact O-CA 2.93Å; D500-D572 WeakPolarHBondContact O-CB 3.27Å; D572-S574 VanDerWaalsContact CG-OG 3.25Å; D572-S574 PolarHBondContact O-N 3.46Å; D572-S574 VanDerWaalsContact O-N 3.1Å; D572-S574 VanDerWaalsContact OD1-C 3.26Å; D572-S574 VanDerWaalsContact OD1-CA 3.23Å; D572-S574 WeakPolarHBondContact OD1-CA 3.35Å; D572-S574 WeakPolarHBondContact OD1-CB 3.5Å; D572-S574 PolarHBondContact OD1-N 2.69Å; D572-S574 PolarHBondContact OD1-OG 2.86Å; D572-S574 PolarHBondContact OD2-OG 3.38Å; D572-G575 PolarHBondContact O-N 3.49Å; D572-G575 PolarHBondContact OD1-N 2.83Å; D572-Q576 PolarHBondContact N-O 3Å; D572-Q576 PolarHBondContact OD1-N 2.88Å; D572-Q576 WeakPolarHBondContact OD2-CB 3.48Å; D572-V578 HydrophobicContact CB-CG2 3.95Å
573K94.5Very high96.7Very high141 Ų14133.5 Ų33.561%0.61318%0.177SC*.THydrogen-bonded Turntrans-62.2-13.4177.2-69.2169.6-170.9158.10114.2D500 D502D500-K573 HydrophobicContact CB-CD 4.42Å; D500-K573 WeakPolarHBondContact O-CG 3.2Å; D500-K573 PolarHBondContact O-N 3.33Å; D500-K573 IonicContact OD1-NZ 2.66Å; D500-K573 PolarHBondContact OD1-NZ 3.48Å; D502-K573 HydrophobicContact CB-CG 4.41Å
574S93.1Very high96.6Very high86 Ų8634.2 Ų34.260%0.60119%0.192SC*.THydrogen-bonded Turntrans-95-0.6173.878.90000113.2D572 Q576D572-S574 VanDerWaalsContact CG-OG 3.25Å; D572-S574 PolarHBondContact O-N 3.46Å; D572-S574 VanDerWaalsContact O-N 3.1Å; D572-S574 VanDerWaalsContact OD1-C 3.26Å; D572-S574 VanDerWaalsContact OD1-CA 3.23Å; D572-S574 WeakPolarHBondContact OD1-CA 3.35Å; D572-S574 WeakPolarHBondContact OD1-CB 3.5Å; D572-S574 PolarHBondContact OD1-N 2.69Å; D572-S574 PolarHBondContact OD1-OG 2.86Å; D572-S574 PolarHBondContact OD2-OG 3.38Å; S574-Q576 WeakPolarHBondContact OG-CG 3.39Å
575G91.8Very high96.5Very high33 Ų3335 Ų3534%0.3420%0.197SC..SBendtrans847.3-179.500000114.7D572 Q833D572-G575 PolarHBondContact O-N 3.49Å; D572-G575 PolarHBondContact OD1-N 2.83Å; G575-Q833 PolarHBondContact O-NE2 3.45Å
576Q94.4Very high96.5Very high112 Ų11235.2 Ų35.252%0.52320%0.198SC..PPolyproline II helixtrans-82.9148.7176.8-60.4-57.8-52.300111.4S571 D572 S574 V578S571-Q576 CarbonylContact C-O 3.57Å; S571-Q576 VanDerWaalsContact CA-O 3.24Å; S571-Q576 WeakPolarHBondContact CA-O 3.45Å; D572-Q576 PolarHBondContact N-O 3Å; D572-Q576 PolarHBondContact OD1-N 2.88Å; D572-Q576 WeakPolarHBondContact OD2-CB 3.48Å; S574-Q576 WeakPolarHBondContact OG-CG 3.39Å; Q576-V578 PolarHBondContact O-N 3.05Å
577P96.4Very high96.5Very high23 Ų2331.7 Ų31.715%0.14920%0.196CC..EExtended strand (participates in β ladder)trans-72.8128.7-177.528.2-33.8000112.3K477 V568 F835K477-P577 PolarHBondContact NZ-O 3.36Å; V568-P577 HydrophobicContact CG1-CB 3.92Å; V568-P577 HydrophobicContact CG2-CB 3.94Å; P577-F835 HydrophobicContact CB-CE2 4.43Å; P577-F835 HydrophobicContact CB-CZ 4.3Å; P577-F835 HydrophobicContact CG-CZ 4.28Å
578V97.6Very high96.5Very high5 Ų533.9 Ų33.93%0.0321%0.214CC..EExtended strand (participates in β ladder)trans-96125.6169.6-1780000109.1L499 I501 V568 V569 A570 D572 Q576 D582L499-V578 HydrophobicContact CB-CG1 4.38Å; L499-V578 HydrophobicContact CD1-CG1 3.8Å; I501-V578 HydrophobicContact CD1-CG1 4.22Å; I501-V578 HydrophobicContact CG1-CB 4.41Å; I501-V578 HydrophobicContact CG1-CG1 4.02Å; I501-V578 HydrophobicContact CG1-CG2 4.15Å; V568-V578 WeakPolarHBondContact CA-O 3.37Å; V569-V578 HydrophobicContact CG2-CG1 4.23Å; V569-V578 WeakPolarHBondContact CG2-O 3.16Å; V569-V578 PolarHBondContact N-O 3.47Å; A570-V578 PolarHBondContact O-N 2.86Å; D572-V578 HydrophobicContact CB-CG2 3.95Å; Q576-V578 PolarHBondContact O-N 3.05Å; V578-D582 HydrophobicContact CG1-CB 4.2Å
579T97.9Very high96.6Very high17 Ų1733 Ų3310%0.10421%0.208CC..EExtended strand (participates in β ladder)trans-111.5167.7-171.663.30000113.2G565 M567 V568 D581 D582 L583G565-T579 WeakPolarHBondContact O-CB 3.49Å; M567-T579 CarbonylContact O-C 3.5Å; M567-T579 WeakPolarHBondContact O-CA 3.49Å; V568-T579 HydrophobicContact CG2-CG2 4.13Å; T579-D581 PolarHBondContact O-N 3.29Å; T579-D582 WeakPolarHBondContact CB-OD2 3.46Å; T579-D582 PolarHBondContact N-OD2 3.49Å; T579-D582 WeakPolarHBondContact O-CB 3.36Å; T579-D582 PolarHBondContact O-N 3.13Å; T579-D582 VanDerWaalsContact O-N 3.16Å; T579-D582 VanDerWaalsContact OG1-CG 3.25Å; T579-D582 PolarHBondContact OG1-N 2.9Å; T579-D582 PolarHBondContact OG1-OD2 3.37Å; T579-L583 PolarHBondContact O-N 3.42Å
580A98.1Very high96.6Very high0 Ų033.8 Ų33.80%021%0.213CC..THydrogen-bonded Turntrans-61.3-32.2170.600000112.7L434 L564 M567 L583 G584 V585 L589L434-A580 HydrophobicContact CD1-CB 4.09Å; L434-A580 HydrophobicContact CD2-CB 4.19Å; L564-A580 VanDerWaalsContact O-CB 3.27Å; L564-A580 WeakPolarHBondContact O-CB 3.23Å; M567-A580 HydrophobicContact CB-CB 4.49Å; M567-A580 HydrophobicContact CE-CB 4.4Å; M567-A580 PolarHBondContact O-N 3.2Å; A580-L583 PolarHBondContact O-N 2.85Å; A580-G584 PolarHBondContact O-N 3.42Å; A580-V585 HydrophobicContact CB-CG2 4.25Å; A580-V585 WeakPolarHBondContact O-CG2 3.47Å; A580-V585 PolarHBondContact O-N 3.02Å; A580-L589 HydrophobicContact CB-CD1 4.41Å
581D97.3Very high96.7Very high61 Ų6138.8 Ų38.833%0.32624%0.243SC..THydrogen-bonded Turntrans-64-42171.8-89.3-7.6000111.7G565 T579 L583 G584 T586G565-D581 VanDerWaalsContact CA-CG 3.47Å; G565-D581 VanDerWaalsContact CA-OD1 3.26Å; G565-D581 WeakPolarHBondContact CA-OD1 3.36Å; G565-D581 PolarHBondContact O-N 2.91Å; T579-D581 PolarHBondContact O-N 3.29Å; D581-L583 PolarHBondContact O-N 2.89Å; D581-G584 PolarHBondContact O-N 2.89Å; D581-T586 PolarHBondContact N-OG1 3.46Å; D581-T586 WeakPolarHBondContact OD1-CB 3.47Å; D581-T586 WeakPolarHBondContact OD1-CG2 3.49Å; D581-T586 PolarHBondContact OD1-OG1 2.96Å
582D97.2Very high96.8Very high8 Ų841.7 Ų41.74%0.04326%0.258CS..THydrogen-bonded Turntrans-61.8-32.1177.4-64.5-58.6000112.5R474 K477 L499 V578 T579 G584R474-D582 IonicContact NH1-OD1 3.86Å; R474-D582 PolarHBondContact NH1-OD1 3.03Å; K477-D582 VanDerWaalsContact NZ-CG 3.29Å; K477-D582 IonicContact NZ-OD1 2.78Å; K477-D582 PolarHBondContact NZ-OD1 2.88Å; K477-D582 VanDerWaalsContact NZ-OD1 3.14Å; K477-D582 IonicContact NZ-OD2 2.94Å; K477-D582 PolarHBondContact NZ-OD2 3.48Å; L499-D582 HydrophobicContact CD1-CB 4.21Å; L499-D582 HydrophobicContact CD2-CB 4.06Å; V578-D582 HydrophobicContact CG1-CB 4.2Å; T579-D582 WeakPolarHBondContact CB-OD2 3.46Å; T579-D582 PolarHBondContact N-OD2 3.49Å; T579-D582 WeakPolarHBondContact O-CB 3.36Å; T579-D582 PolarHBondContact O-N 3.13Å; T579-D582 VanDerWaalsContact O-N 3.16Å; T579-D582 VanDerWaalsContact OG1-CG 3.25Å; T579-D582 PolarHBondContact OG1-N 2.9Å; T579-D582 PolarHBondContact OG1-OD2 3.37Å; D582-G584 VanDerWaalsContact C-N 3.28Å
583L96.9Very high97Very high20 Ų2040.1 Ų40.111%0.10525%0.249CC..THydrogen-bonded Turntrans-77-11.8175.1-74167.5000113.5L434 I438 R441 L499 I501 V569 T579 A580 D581 V585L434-L583 HydrophobicContact CD1-CD1 3.63Å; I438-L583 HydrophobicContact CG1-CD1 3.64Å; R441-L583 HydrophobicContact CB-CD2 3.69Å; R441-L583 HydrophobicContact CG-CD2 3.87Å; L499-L583 HydrophobicContact CD1-CD2 3.58Å; L499-L583 HydrophobicContact CD1-CG 3.98Å; I501-L583 HydrophobicContact CD1-CD2 4.47Å; V569-L583 HydrophobicContact CG2-CD1 3.95Å; T579-L583 PolarHBondContact O-N 3.42Å; A580-L583 PolarHBondContact O-N 2.85Å; D581-L583 PolarHBondContact O-N 2.89Å; L583-V585 HydrophobicContact CB-CG1 4.44Å; L583-V585 HydrophobicContact CB-CG2 4.17Å
584G96.2Very high97.1Very high40 Ų4039.3 Ų39.341%0.41225%0.246SC..THydrogen-bonded Turntrans7817.717900000114.7A580 D581 D582A580-G584 PolarHBondContact O-N 3.42Å; D581-G584 PolarHBondContact O-N 2.89Å; D582-G584 VanDerWaalsContact C-N 3.28Å
585V97.7Very high97.3Very high19 Ų1938.4 Ų38.412%0.11523%0.234CC..  trans-105.7-9.2-169.8-62.50000115.4L434 A437 A580 L583 G587 A588 L589L434-V585 HydrophobicContact CD1-CG2 3.6Å; A437-V585 HydrophobicContact CB-CG1 3.63Å; A580-V585 HydrophobicContact CB-CG2 4.25Å; A580-V585 WeakPolarHBondContact O-CG2 3.47Å; A580-V585 PolarHBondContact O-N 3.02Å; L583-V585 HydrophobicContact CB-CG1 4.44Å; L583-V585 HydrophobicContact CB-CG2 4.17Å; V585-G587 VanDerWaalsContact C-N 3.29Å; V585-G587 PolarHBondContact O-N 2.71Å; V585-G587 VanDerWaalsContact O-N 3.17Å; V585-A588 WeakPolarHBondContact O-CB 3.22Å; V585-A588 PolarHBondContact O-N 2.74Å; V585-L589 HydrophobicContact CG2-CD1 4.15Å; V585-L589 HydrophobicContact CG2-CG 4.32Å; V585-L589 WeakPolarHBondContact O-CG 3.29Å; V585-L589 PolarHBondContact O-N 3.45Å
586T98Very high97.7Very high3 Ų337 Ų372%0.01822%0.219CC..Hα-helixtrans-53.6-41-174.4-56.30000114.1K561 L564 G565 D581 L589 T590K561-T586 HydrophobicContact CG-CG2 4.01Å; K561-T586 VanDerWaalsContact O-CG2 3.25Å; K561-T586 WeakPolarHBondContact O-CG2 3.45Å; L564-T586 HydrophobicContact CB-CG2 4.33Å; G565-T586 VanDerWaalsContact CA-OG1 3.32Å; G565-T586 WeakPolarHBondContact CA-OG1 3.41Å; D581-T586 PolarHBondContact N-OG1 3.46Å; D581-T586 WeakPolarHBondContact OD1-CB 3.47Å; D581-T586 WeakPolarHBondContact OD1-CG2 3.49Å; D581-T586 PolarHBondContact OD1-OG1 2.96Å; T586-L589 PolarHBondContact O-N 3.13Å; T586-T590 WeakPolarHBondContact O-CB 3.42Å; T586-T590 PolarHBondContact O-N 2.89Å; T586-T590 PolarHBondContact O-OG1 3.39Å
587G97.8Very high97.8Very high34 Ų3431.8 Ų31.835%0.35120%0.195SC..Hα-helixtrans-60.5-47175.300000112.2V585 T590 V591V585-G587 VanDerWaalsContact C-N 3.29Å; V585-G587 PolarHBondContact O-N 2.71Å; V585-G587 VanDerWaalsContact O-N 3.17Å; G587-T590 WeakPolarHBondContact O-CB 3.29Å; G587-T590 PolarHBondContact O-N 2.76Å; G587-V591 WeakPolarHBondContact O-CG2 3.45Å; G587-V591 PolarHBondContact O-N 3.19Å
588A98.4Very high98Very high46 Ų4631.6 Ų31.638%0.3819%0.192SC..Hα-helixtrans-64.7-41.6178.600000112.1L433 V585 T590 V591 L592L433-A588 HydrophobicContact CD2-CB 3.89Å; V585-A588 WeakPolarHBondContact O-CB 3.22Å; V585-A588 PolarHBondContact O-N 2.74Å; A588-T590 VanDerWaalsContact C-N 3.31Å; A588-T590 PolarHBondContact O-N 3.12Å; A588-V591 PolarHBondContact O-N 3.5Å; A588-L592 WeakPolarHBondContact O-CG 3.48Å; A588-L592 PolarHBondContact O-N 2.92Å
589L98.6Very high98Very high0 Ų031.4 Ų31.40%019%0.19CC..Hα-helixtrans-60.3-42.8174.1-59.1-174.8000111.3A430 L433 L434 L564 M567 A580 V585 T586 V591 L592 M593A430-L589 HydrophobicContact CB-CD2 4.05Å; A430-L589 WeakPolarHBondContact O-CD2 3.35Å; L433-L589 HydrophobicContact CB-CD2 4.37Å; L433-L589 HydrophobicContact CD2-CD2 4.22Å; L433-L589 HydrophobicContact CG-CD2 4.44Å; L434-L589 HydrophobicContact CB-CD1 4.36Å; L434-L589 HydrophobicContact CB-CD2 4.32Å; L434-L589 HydrophobicContact CD2-CD1 4.19Å; L564-L589 HydrophobicContact CD1-CB 4.06Å; M567-L589 HydrophobicContact CE-CD1 3.86Å; A580-L589 HydrophobicContact CB-CD1 4.41Å; V585-L589 HydrophobicContact CG2-CD1 4.15Å; V585-L589 HydrophobicContact CG2-CG 4.32Å; V585-L589 WeakPolarHBondContact O-CG 3.29Å; V585-L589 PolarHBondContact O-N 3.45Å; T586-L589 PolarHBondContact O-N 3.13Å; L589-V591 VanDerWaalsContact C-N 3.34Å; L589-V591 PolarHBondContact O-N 3.24Å; L589-L592 PolarHBondContact O-N 3.48Å; L589-M593 WeakPolarHBondContact O-CB 3.07Å; L589-M593 VanDerWaalsContact O-CG 3.28Å; L589-M593 WeakPolarHBondContact O-CG 3.35Å; L589-M593 PolarHBondContact O-N 3.46Å; L589-M593 VanDerWaalsContact O-N 3.07Å
590T98.5Very high98Very high17 Ų1730.6 Ų30.610%0.10419%0.186CC..Hα-helixtrans-64.1-39.1178.2-54.20000111.7L557 M560 K561 T586 G587 A588 M593 K594L557-T590 HydrophobicContact CD1-CG2 3.82Å; M560-T590 HydrophobicContact CE-CG2 4.48Å; K561-T590 HydrophobicContact CB-CG2 4.07Å; K561-T590 HydrophobicContact CG-CG2 4.38Å; K561-T590 WeakPolarHBondContact CG-OG1 3.4Å; T586-T590 WeakPolarHBondContact O-CB 3.42Å; T586-T590 PolarHBondContact O-N 2.89Å; T586-T590 PolarHBondContact O-OG1 3.39Å; G587-T590 WeakPolarHBondContact O-CB 3.29Å; G587-T590 PolarHBondContact O-N 2.76Å; A588-T590 VanDerWaalsContact C-N 3.31Å; A588-T590 PolarHBondContact O-N 3.12Å; T590-M593 CarbonylContact O-C 3Å; T590-M593 PolarHBondContact O-N 3.35Å; T590-K594 PolarHBondContact O-N 3.24Å
591V98.6Very high98.1Very high107 Ų10730.6 Ų30.665%0.64819%0.186SC*.Hα-helixtrans-62.9-45.8175.81700000111.1G587 A588 L589 M593 K594G587-V591 WeakPolarHBondContact O-CG2 3.45Å; G587-V591 PolarHBondContact O-N 3.19Å; A588-V591 PolarHBondContact O-N 3.5Å; L589-V591 VanDerWaalsContact C-N 3.34Å; L589-V591 PolarHBondContact O-N 3.24Å; V591-M593 PolarHBondContact O-N 3.08Å; V591-K594 VanDerWaalsContact O-CB 3.24Å; V591-K594 WeakPolarHBondContact O-CB 3.33Å; V591-K594 PolarHBondContact O-N 2.81Å
592L98.6Very high98.1Very high71 Ų7127.7 Ų27.737%0.37217%0.17SC..Hα-helixtrans-61.7-32.4176.9-69.7172.3000112.4A426 A429 A430 L433 A588 L589A426-L592 WeakPolarHBondContact CB-O 3.45Å; A429-L592 HydrophobicContact CB-CD1 4.49Å; A430-L592 HydrophobicContact CB-CB 4.18Å; A430-L592 HydrophobicContact CB-CD1 4.1Å; L433-L592 HydrophobicContact CB-CD1 4.43Å; L433-L592 HydrophobicContact CD2-CD1 3.77Å; A588-L592 WeakPolarHBondContact O-CG 3.48Å; A588-L592 PolarHBondContact O-N 2.92Å; L589-L592 PolarHBondContact O-N 3.48Å
593M98.6Very high98.2Very high0 Ų027.3 Ų27.30%017%0.168CC..THydrogen-bonded Turntrans-91.3-0.1-179.2-64.3-60-63.300114.1A426 I427 A430 I547 L551 M560 L589 T590 V591 D595 A596 I597A426-M593 HydrophobicContact CB-SD 4.19Å; I427-M593 HydrophobicContact CD1-CE 4.44Å; I427-M593 HydrophobicContact CG1-CE 3.63Å; I427-M593 HydrophobicContact CG1-SD 3.95Å; A430-M593 HydrophobicContact CB-CG 4.26Å; A430-M593 HydrophobicContact CB-SD 4.19Å; I547-M593 HydrophobicContact CG2-CE 3.89Å; I547-M593 HydrophobicContact CG2-CG 4.3Å; I547-M593 HydrophobicContact CG2-SD 3.87Å; L551-M593 HydrophobicContact CB-CE 4.26Å; L551-M593 HydrophobicContact CD1-CE 4.35Å; L551-M593 HydrophobicContact CD2-CE 4.16Å; L551-M593 HydrophobicContact CG-CE 4.48Å; M560-M593 HydrophobicContact CE-CB 3.53Å; M560-M593 HydrophobicContact SD-CB 4.02Å; L589-M593 WeakPolarHBondContact O-CB 3.07Å; L589-M593 VanDerWaalsContact O-CG 3.28Å; L589-M593 WeakPolarHBondContact O-CG 3.35Å; L589-M593 PolarHBondContact O-N 3.46Å; L589-M593 VanDerWaalsContact O-N 3.07Å; T590-M593 CarbonylContact O-C 3Å; T590-M593 PolarHBondContact O-N 3.35Å; V591-M593 PolarHBondContact O-N 3.08Å; M593-D595 VanDerWaalsContact C-N 3.3Å; M593-D595 PolarHBondContact O-N 3.33Å; M593-A596 HydrophobicContact CE-CB 3.9Å; M593-A596 PolarHBondContact O-N 2.8Å; M593-A596 HydrophobicContact SD-CB 4.36Å; M593-I597 PolarHBondContact O-N 2.81Å; M593-I597 VanDerWaalsContact O-N 3.12Å
594K97.9Very high98.2Very high123 Ų12326.3 Ų26.354%0.53516%0.163SC..THydrogen-bonded Turntrans-54.9-40.3-171.2178-168.1167.3-166.40113.6T590 V591 I597T590-K594 PolarHBondContact O-N 3.24Å; V591-K594 VanDerWaalsContact O-CB 3.24Å; V591-K594 WeakPolarHBondContact O-CB 3.33Å; V591-K594 PolarHBondContact O-N 2.81Å; K594-I597 VanDerWaalsContact O-CG2 3.22Å; K594-I597 WeakPolarHBondContact O-CG2 3.3Å
595D97.8Very high98.3Very high67 Ų6724.4 Ų24.436%0.35814%0.143SC..THydrogen-bonded Turntrans-94.5-30.2-179.8-60.2-38.9000111.7K332 M593 I597 K598K332-D595 WeakPolarHBondContact CD-O 3.45Å; K332-D595 WeakPolarHBondContact CE-O 3.4Å; K332-D595 PolarHBondContact NZ-O 2.8Å; M593-D595 VanDerWaalsContact C-N 3.3Å; M593-D595 PolarHBondContact O-N 3.33Å; D595-I597 PolarHBondContact O-N 3.48Å; D595-K598 WeakPolarHBondContact O-CB 3.39Å; D595-K598 PolarHBondContact O-N 2.93Å; D595-K598 VanDerWaalsContact O-N 3.12Å; D595-K598 IonicContact OD1-NZ 3.62Å; D595-K598 PolarHBondContact OD1-NZ 2.87Å
596A98.4Very high98.3Very high3 Ų324 Ų243%0.02514%0.14CC..THydrogen-bonded Turntrans-65-17177.200000113.6D423 A426 L551 M593 K598 H613D423-A596 HydrophobicContact CB-CB 4.28Å; A426-A596 HydrophobicContact CB-CB 3.83Å; L551-A596 VanDerWaalsContact CD1-O 3.3Å; L551-A596 WeakPolarHBondContact CD1-O 3.45Å; M593-A596 HydrophobicContact CE-CB 3.9Å; M593-A596 PolarHBondContact O-N 2.8Å; M593-A596 HydrophobicContact SD-CB 4.36Å; A596-K598 VanDerWaalsContact C-N 3.28Å; A596-K598 PolarHBondContact O-N 3.47Å; A596-H613 PolarHBondContact O-NE2 3.19Å
597I98.5Very high98.2Very high4 Ų423.9 Ų23.92%0.02114%0.139CC..THydrogen-bonded Turntrans-72.1-18.5174.1-162.5176.1000113.6L335 L551 T554 L557 M560 M593 K594 D595 H613 L628L335-I597 HydrophobicContact CD1-CD1 3.94Å; L335-I597 HydrophobicContact CD1-CG1 4.23Å; L335-I597 HydrophobicContact CD1-CG2 4.31Å; L551-I597 HydrophobicContact CD1-CB 4.4Å; L551-I597 HydrophobicContact CD1-CG1 4.46Å; T554-I597 HydrophobicContact CG2-CD1 4.17Å; T554-I597 HydrophobicContact CG2-CG1 4.23Å; L557-I597 HydrophobicContact CB-CD1 4.24Å; L557-I597 HydrophobicContact CD1-CD1 4.23Å; M560-I597 HydrophobicContact CB-CD1 3.96Å; M560-I597 HydrophobicContact CE-CB 4.1Å; M560-I597 HydrophobicContact CE-CD1 3.87Å; M560-I597 HydrophobicContact CE-CG1 4.33Å; M560-I597 HydrophobicContact CG-CD1 4.47Å; M560-I597 HydrophobicContact SD-CB 4.04Å; M560-I597 HydrophobicContact SD-CD1 3.77Å; M560-I597 HydrophobicContact SD-CG1 3.91Å; M593-I597 PolarHBondContact O-N 2.81Å; M593-I597 VanDerWaalsContact O-N 3.12Å; K594-I597 VanDerWaalsContact O-CG2 3.22Å; K594-I597 WeakPolarHBondContact O-CG2 3.3Å; D595-I597 PolarHBondContact O-N 3.48Å; I597-H613 PolarHBondContact O-CE1 2.87Å; I597-L628 HydrophobicContact CD1-CD1 3.92Å; I597-L628 HydrophobicContact CG1-CD1 3.5Å; I597-L628 VanDerWaalsContact CG1-CD1 3.5Å
598K98.7Very high98.3Very high19 Ų1922.3 Ų22.38%0.08312%0.123CC..SBendtrans-87.5124.2-174.3-60.1166.3-168.3165.30110.3E324 K332 V333 D595 A596 H613E324-K598 IonicContact OE1-NZ 3.51Å; E324-K598 PolarHBondContact OE1-NZ 3.17Å; E324-K598 WeakPolarHBondContact OE2-CD 3.46Å; E324-K598 IonicContact OE2-NZ 2.81Å; E324-K598 PolarHBondContact OE2-NZ 3.05Å; K332-K598 HydrophobicContact CB-CB 4.01Å; K332-K598 HydrophobicContact CB-CD 4.35Å; K332-K598 HydrophobicContact CD-CB 4.07Å; K332-K598 HydrophobicContact CD-CD 4.34Å; K332-K598 HydrophobicContact CG-CB 4.22Å; K332-K598 PolarHBondContact NZ-O 3.34Å; V333-K598 WeakPolarHBondContact O-CB 3.49Å; D595-K598 WeakPolarHBondContact O-CB 3.39Å; D595-K598 PolarHBondContact O-N 2.93Å; D595-K598 VanDerWaalsContact O-N 3.12Å; D595-K598 IonicContact OD1-NZ 3.62Å; D595-K598 PolarHBondContact OD1-NZ 2.87Å; A596-K598 VanDerWaalsContact C-N 3.28Å; A596-K598 PolarHBondContact O-N 3.47Å; K598-H613 PolarHBondContact O-NE2 3.49Å
599P98.5Very high98.3Very high0 Ų020.1 Ų20.10%011%0.105CC..  trans-60.4147.4177.9-25.135.6000114.2K332 V333 F611 H613 L628 A629 I632K332-P599 CarbonylContact C-O 3.53Å; K332-P599 WeakPolarHBondContact CA-O 3.34Å; V333-P599 PolarHBondContact N-O 2.99Å; P599-F611 HydrophobicContact CB-CB 4.45Å; P599-F611 HydrophobicContact CB-CD1 3.75Å; P599-F611 HydrophobicContact CB-CD2 4.43Å; P599-F611 HydrophobicContact CB-CE1 4.06Å; P599-F611 HydrophobicContact CB-CG 3.98Å; P599-H613 HydrophobicContact CB-CB 4.07Å; P599-L628 HydrophobicContact CG-CB 4.46Å; P599-A629 HydrophobicContact CB-CB 3.97Å; P599-A629 HydrophobicContact CG-CB 3.91Å; P599-I632 HydrophobicContact CG-CD1 4.07Å
600N98.6Very high98.3Very high0 Ų020.1 Ų20.10%011%0.105CC..EExtended strand (participates in β ladder)trans-96.5114-179.8-48.3-57.9000110.6A331 K332 L420 T421 D423 F611 V612A331-N600 CarbonylContact O-C 3.54Å; A331-N600 WeakPolarHBondContact O-CA 3.26Å; K332-N600 VanDerWaalsContact CG-OD1 3.26Å; K332-N600 WeakPolarHBondContact CG-OD1 3.09Å; K332-N600 PolarHBondContact NZ-OD1 3.15Å; L420-N600 HydrophobicContact CD2-CB 4.23Å; L420-N600 WeakPolarHBondContact CD2-ND2 3.43Å; T421-N600 HydrophobicContact CG2-CB 4.37Å; T421-N600 VanDerWaalsContact CG2-OD1 3.3Å; T421-N600 WeakPolarHBondContact CG2-OD1 2.95Å; T421-N600 VanDerWaalsContact OG1-CG 3.25Å; T421-N600 PolarHBondContact OG1-ND2 2.92Å; T421-N600 PolarHBondContact OG1-OD1 3.2Å; D423-N600 PolarHBondContact OD2-ND2 3.3Å; N600-F611 CarbonylContact O-C 3.4Å; N600-F611 WeakPolarHBondContact O-CA 3.48Å; N600-V612 VanDerWaalsContact CB-O 3.31Å; N600-V612 WeakPolarHBondContact CB-O 3.31Å; N600-V612 PolarHBondContact N-O 3.08Å; N600-V612 PolarHBondContact ND2-O 3.49Å; N600-V612 PolarHBondContact O-N 2.78Å
601L98.8Very high98.3Very high0 Ų019.3 Ų19.30%010%0.1CC..EExtended strand (participates in β ladder)trans-76.7126.4173.4-179.563.9000110.5V309 L312 A313 I316 L318 K330 A331 V333 F384 P609 V610 F611V309-L601 HydrophobicContact CG2-CB 4.46Å; V309-L601 HydrophobicContact CG2-CD2 4Å; V309-L601 HydrophobicContact CG2-CG 4.13Å; L312-L601 HydrophobicContact CD2-CD1 4.16Å; L312-L601 HydrophobicContact CD2-CD2 4.36Å; L312-L601 HydrophobicContact CD2-CG 4.15Å; A313-L601 HydrophobicContact CB-CD2 4Å; I316-L601 HydrophobicContact CD1-CD1 4.06Å; I316-L601 HydrophobicContact CD1-CD2 4.19Å; L318-L601 HydrophobicContact CD1-CD2 3.94Å; K330-L601 VanDerWaalsContact CA-O 3.24Å; K330-L601 WeakPolarHBondContact CA-O 3.45Å; A331-L601 PolarHBondContact N-O 3.3Å; A331-L601 PolarHBondContact O-N 3.36Å; V333-L601 HydrophobicContact CG2-CB 3.95Å; F384-L601 HydrophobicContact CE1-CD1 4.25Å; F384-L601 HydrophobicContact CZ-CD1 3.75Å; L601-P609 HydrophobicContact CD1-CB 4.09Å; L601-V610 WeakPolarHBondContact CA-O 3.36Å; L601-F611 HydrophobicContact CB-CD1 4.35Å; L601-F611 HydrophobicContact CB-CE1 4.03Å; L601-F611 HydrophobicContact CD1-CE1 4.22Å
602M98.3Very high98.2Very high0 Ų014.2 Ų14.20%07%0.069CC..EExtended strand (participates in β ladder)trans-137.7-168.7171.1-61.3-171.677.400109.2L312 K330 V410 F416 L420 V610 V612L312-M602 WeakPolarHBondContact CD2-O 3.41Å; K330-M602 HydrophobicContact CB-CG 4Å; V410-M602 HydrophobicContact CG1-CB 3.9Å; V410-M602 HydrophobicContact CG1-CE 4.34Å; V410-M602 HydrophobicContact CG1-SD 4.2Å; F416-M602 HydrophobicContact CD2-SD 4.25Å; L420-M602 HydrophobicContact CD1-CE 4.49Å; L420-M602 HydrophobicContact CD1-SD 3.65Å; M602-V610 PolarHBondContact N-O 3.22Å; M602-V610 PolarHBondContact O-N 2.7Å; M602-V612 HydrophobicContact CG-CG2 4.41Å; M602-V612 HydrophobicContact SD-CG2 3.95Å
603Q98.2Very high98.2Very high0 Ų010.8 Ų10.80%05%0.051CC..EExtended strand (participates in β ladder)trans-143.8160.717968.3-160.7-75.800114P306 K307 L312 V410 I411 T608P306-Q603 HydrophobicContact CB-CG 4.26Å; K307-Q603 PolarHBondContact O-NE2 2.74Å; L312-Q603 HydrophobicContact CD2-CB 3.81Å; V410-Q603 WeakPolarHBondContact CA-O 3.19Å; V410-Q603 WeakPolarHBondContact CG1-O 3.33Å; I411-Q603 HydrophobicContact CG1-CG 4.24Å; I411-Q603 PolarHBondContact N-O 2.61Å; Q603-T608 CarbonylContact C-O 3.55Å; Q603-T608 WeakPolarHBondContact CA-O 3.38Å
604T98.1Very high98.1Very high0 Ų010.8 Ų10.80%05%0.051CC..EExtended strand (participates in β ladder)trans-79.9172.2169.970.90000111.8I369 V372 Q373 Q409 E606 G607 T608 V610I369-T604 HydrophobicContact CD1-CG2 4.13Å; I369-T604 HydrophobicContact CG2-CG2 3.8Å; V372-T604 HydrophobicContact CG1-CG2 4.07Å; Q373-T604 HydrophobicContact CG-CG2 4.02Å; Q373-T604 WeakPolarHBondContact CG-OG1 3.43Å; Q409-T604 WeakPolarHBondContact O-CA 3.43Å; T604-E606 VanDerWaalsContact C-N 3.27Å; T604-E606 PolarHBondContact O-N 2.81Å; T604-E606 PolarHBondContact OG1-N 2.86Å; T604-G607 PolarHBondContact O-N 3.24Å; T604-G607 PolarHBondContact OG1-N 3.11Å; T604-T608 PolarHBondContact N-O 3.16Å; T604-T608 VanDerWaalsContact OG1-CB 3.29Å; T604-T608 WeakPolarHBondContact OG1-CB 3.16Å; T604-T608 PolarHBondContact OG1-N 2.98Å; T604-T608 PolarHBondContact OG1-OG1 3.44Å; T604-V610 HydrophobicContact CG2-CG2 3.56Å
605L97.5Very high97.9Very high0 Ų05.3 Ų5.30%03%0.03CC..THydrogen-bonded Turntrans-52.6-37.7170.4-71.7166.7000114.4L288 I300 Q304 Y407 Q409 I411 G607L288-L605 HydrophobicContact CD1-CB 3.71Å; L288-L605 HydrophobicContact CD1-CD1 4.31Å; I300-L605 HydrophobicContact CG2-CD1 3.65Å; I300-L605 HydrophobicContact CG2-CD2 4.1Å; Q304-L605 HydrophobicContact CB-CD2 3.47Å; Q304-L605 VanDerWaalsContact CB-CD2 3.47Å; Q304-L605 HydrophobicContact CG-CD2 3.8Å; Q304-L605 PolarHBondContact NE2-O 2.65Å; Y407-L605 VanDerWaalsContact C-CD1 3.48Å; Y407-L605 HydrophobicContact CD1-CD1 4.41Å; Y407-L605 WeakPolarHBondContact O-CD1 3.46Å; Q409-L605 HydrophobicContact CG-CD1 3.48Å; Q409-L605 VanDerWaalsContact CG-CD1 3.48Å; Q409-L605 HydrophobicContact CG-CD2 4.48Å; Q409-L605 HydrophobicContact CG-CG 3.85Å; Q409-L605 PolarHBondContact O-N 2.59Å; I411-L605 HydrophobicContact CD1-CD2 4.28Å; I411-L605 HydrophobicContact CG2-CD2 3.58Å; I411-L605 HydrophobicContact CG2-CG 3.99Å; L605-G607 VanDerWaalsContact C-N 3.3Å; L605-G607 PolarHBondContact O-N 2.81Å
606E97.9Very high97.7Very high11 Ų112.2 Ų2.25%0.0511%0.013CC..THydrogen-bonded Turntrans-87.613176.1-71.1178.2135.900113.9C285 L286 L288 Q373 A377 H378 T604 T608 G770C285-E606 WeakPolarHBondContact CA-O 3.33Å; L286-E606 PolarHBondContact N-O 3.44Å; L288-E606 HydrophobicContact CB-CG 4.06Å; L288-E606 HydrophobicContact CD1-CG 4.34Å; Q373-E606 WeakPolarHBondContact CB-OE2 3.5Å; Q373-E606 HydrophobicContact CG-CB 4.28Å; Q373-E606 VanDerWaalsContact NE2-CD 3.34Å; Q373-E606 VanDerWaalsContact NE2-CG 3.31Å; Q373-E606 PolarHBondContact NE2-OE2 3.3Å; A377-E606 HydrophobicContact CB-CB 4.07Å; H378-E606 IonicContact CD2-OE2 3.25Å; H378-E606 IonicContact CE1-OE1 2.67Å; H378-E606 IonicContact NE2-OE1 2.85Å; H378-E606 PolarHBondContact NE2-OE1 3.46Å; H378-E606 IonicContact NE2-OE2 2.68Å; H378-E606 PolarHBondContact NE2-OE2 3.04Å; T604-E606 VanDerWaalsContact C-N 3.27Å; T604-E606 PolarHBondContact O-N 2.81Å; T604-E606 PolarHBondContact OG1-N 2.86Å; E606-T608 PolarHBondContact O-N 2.98Å; E606-G770 WeakPolarHBondContact OE2-CA 3.45Å; E606-G770 PolarHBondContact OE2-N 3.4Å; E606-G770 VanDerWaalsContact OE2-N 3.17Å
607G97.3Very high97.2Very high0 Ų04.8 Ų4.80%02%0.024CC..  trans72.924.2176.500000115.1T604 L605T604-G607 PolarHBondContact O-N 3.24Å; T604-G607 PolarHBondContact OG1-N 3.11Å; L605-G607 VanDerWaalsContact C-N 3.3Å; L605-G607 PolarHBondContact O-N 2.81Å
608T97.9Very high96.6Very high0 Ų04.8 Ų4.80%03%0.025CC..  trans-80.3137173-55.20000109.3V372 T376 Q603 T604 E606V372-T608 HydrophobicContact CB-CG2 4.22Å; V372-T608 HydrophobicContact CG1-CG2 3.78Å; V372-T608 HydrophobicContact CG2-CG2 3.6Å; T376-T608 HydrophobicContact CG2-CG2 4Å; T376-T608 WeakPolarHBondContact OG1-CG2 3.07Å; Q603-T608 CarbonylContact C-O 3.55Å; Q603-T608 WeakPolarHBondContact CA-O 3.38Å; T604-T608 PolarHBondContact N-O 3.16Å; T604-T608 VanDerWaalsContact OG1-CB 3.29Å; T604-T608 WeakPolarHBondContact OG1-CB 3.16Å; T604-T608 PolarHBondContact OG1-N 2.98Å; T604-T608 PolarHBondContact OG1-OG1 3.44Å; E606-T608 PolarHBondContact O-N 2.98Å
609P98.4Very high95.9Very high0 Ų05.1 Ų5.10%03%0.027CC..EExtended strand (participates in β ladder)trans-71.4142.9-176.231.3-38.8000112.9W281 L312 I316 S383 F384 A385 L601W281-P609 HydrophobicContact CH2-CG 3.85Å; W281-P609 HydrophobicContact CZ3-CG 3.79Å; L312-P609 HydrophobicContact CD1-CB 4.37Å; I316-P609 HydrophobicContact CD1-CB 4.22Å; I316-P609 HydrophobicContact CG2-CB 4.27Å; I316-P609 HydrophobicContact CG2-CG 4.02Å; S383-P609 WeakPolarHBondContact O-CG 3.16Å; F384-P609 HydrophobicContact CD1-CB 4.32Å; F384-P609 HydrophobicContact CD1-CG 4.5Å; F384-P609 HydrophobicContact CD2-CB 4.11Å; F384-P609 HydrophobicContact CD2-CG 3.79Å; F384-P609 HydrophobicContact CE1-CB 3.99Å; F384-P609 HydrophobicContact CE2-CB 3.76Å; F384-P609 HydrophobicContact CE2-CG 3.89Å; F384-P609 HydrophobicContact CG-CB 4.38Å; F384-P609 HydrophobicContact CG-CG 4.11Å; F384-P609 HydrophobicContact CZ-CB 3.7Å; F384-P609 HydrophobicContact CZ-CG 4.31Å; A385-P609 PolarHBondContact N-O 3.26Å; L601-P609 HydrophobicContact CD1-CB 4.09Å
610V98.6Very high95.5Very high0 Ų05.8 Ų5.80%03%0.03CC..EExtended strand (participates in β ladder)trans-135.2133.4179.9-173.50000109.9I369 A385 L387 V410 L601 M602 T604 V612I369-V610 HydrophobicContact CD1-CG2 4.23Å; A385-V610 HydrophobicContact CB-CG1 4.11Å; A385-V610 HydrophobicContact CB-CG2 4.2Å; A385-V610 CarbonylContact O-C 3.59Å; A385-V610 VanDerWaalsContact O-CA 3.31Å; A385-V610 WeakPolarHBondContact O-CA 3.49Å; L387-V610 HydrophobicContact CD1-CG1 4.34Å; L387-V610 HydrophobicContact CG-CG1 4.2Å; V410-V610 HydrophobicContact CG2-CB 4.43Å; V410-V610 HydrophobicContact CG2-CG1 3.93Å; V410-V610 HydrophobicContact CG2-CG2 4.2Å; L601-V610 WeakPolarHBondContact CA-O 3.36Å; M602-V610 PolarHBondContact N-O 3.22Å; M602-V610 PolarHBondContact O-N 2.7Å; T604-V610 HydrophobicContact CG2-CG2 3.56Å; V610-V612 HydrophobicContact CG1-CG2 4.19Å
611F98.7Very high95.3Very high0 Ų06.1 Ų6.10%03%0.034CC..EExtended strand (participates in β ladder)trans-96.1131.9163.9-78.2-41.3000110.3V333 F384 A385 C386 L387 P599 N600 L601 A629 I632 A633 L636V333-F611 HydrophobicContact CB-CE1 4.06Å; V333-F611 HydrophobicContact CB-CZ 4.23Å; V333-F611 HydrophobicContact CG1-CZ 4.36Å; V333-F611 HydrophobicContact CG2-CE1 3.62Å; V333-F611 HydrophobicContact CG2-CZ 4.04Å; F384-F611 AromaticContact CD1-CD2 3.96Å; F384-F611 HydrophobicContact CD1-CD2 3.96Å; F384-F611 HydrophobicContact CD1-CE2 4.4Å; F384-F611 HydrophobicContact CD1-CG 4.31Å; F384-F611 HydrophobicContact CE1-CB 4.11Å; F384-F611 AromaticContact CE1-CD1 3.91Å; F384-F611 HydrophobicContact CE1-CD1 3.91Å; F384-F611 AromaticContact CE1-CD2 3.36Å; F384-F611 HydrophobicContact CE1-CD2 3.36Å; F384-F611 HydrophobicContact CE1-CE1 4.14Å; F384-F611 AromaticContact CE1-CE2 3.63Å; F384-F611 HydrophobicContact CE1-CE2 3.63Å; F384-F611 AromaticContact CE1-CG 3.5Å; F384-F611 HydrophobicContact CE1-CG 3.5Å; F384-F611 HydrophobicContact CE1-CZ 4.01Å; F384-F611 HydrophobicContact CE2-CE2 4.26Å; F384-F611 HydrophobicContact CE2-CZ 4.46Å; F384-F611 HydrophobicContact CZ-CD1 4.2Å; F384-F611 AromaticContact CZ-CD2 3.82Å; F384-F611 HydrophobicContact CZ-CD2 3.82Å; F384-F611 AromaticContact CZ-CE1 3.95Å; F384-F611 HydrophobicContact CZ-CE1 3.95Å; F384-F611 AromaticContact CZ-CE2 3.54Å; F384-F611 HydrophobicContact CZ-CE2 3.54Å; F384-F611 HydrophobicContact CZ-CG 4.13Å; F384-F611 AromaticContact CZ-CZ 3.61Å; F384-F611 HydrophobicContact CZ-CZ 3.61Å; A385-F611 PolarHBondContact O-N 3.03Å; C386-F611 CarbonylContact C-O 3.56Å; C386-F611 WeakPolarHBondContact CA-O 3.24Å; L387-F611 PolarHBondContact N-O 2.93Å; P599-F611 HydrophobicContact CB-CB 4.45Å; P599-F611 HydrophobicContact CB-CD1 3.75Å; P599-F611 HydrophobicContact CB-CD2 4.43Å; P599-F611 HydrophobicContact CB-CE1 4.06Å; P599-F611 HydrophobicContact CB-CG 3.98Å; N600-F611 CarbonylContact O-C 3.4Å; N600-F611 WeakPolarHBondContact O-CA 3.48Å; L601-F611 HydrophobicContact CB-CD1 4.35Å; L601-F611 HydrophobicContact CB-CE1 4.03Å; L601-F611 HydrophobicContact CD1-CE1 4.22Å; F611-A629 HydrophobicContact CB-CB 3.92Å; F611-A629 HydrophobicContact CD2-CB 4.06Å; F611-A629 WeakPolarHBondContact CD2-O 3.48Å; F611-A629 HydrophobicContact CG-CB 4.22Å; F611-I632 HydrophobicContact CE2-CB 4.08Å; F611-I632 HydrophobicContact CE2-CG2 3.71Å; F611-I632 HydrophobicContact CZ-CG2 3.8Å; F611-A633 HydrophobicContact CD2-CB 4.08Å; F611-A633 HydrophobicContact CE2-CB 4.14Å; F611-L636 HydrophobicContact CZ-CD1 4.38Å
612V98Very high95.1Very high0 Ų06.1 Ų6.10%03%0.034CC..EExtended strand (participates in β ladder)trans-117.5106.8172.7-173.80000107.1L387 Q389 F416 L420 N600 M602 V610L387-V612 WeakPolarHBondContact O-CA 3.38Å; Q389-V612 HydrophobicContact CB-CG1 4.06Å; F416-V612 HydrophobicContact CD2-CG1 4.03Å; F416-V612 HydrophobicContact CD2-CG2 3.82Å; F416-V612 HydrophobicContact CE2-CB 4.2Å; F416-V612 HydrophobicContact CE2-CG1 3.56Å; F416-V612 HydrophobicContact CE2-CG2 3.53Å; F416-V612 HydrophobicContact CZ-CG1 4.23Å; L420-V612 HydrophobicContact CD2-CB 4.22Å; L420-V612 HydrophobicContact CD2-CG1 3.87Å; N600-V612 VanDerWaalsContact CB-O 3.31Å; N600-V612 WeakPolarHBondContact CB-O 3.31Å; N600-V612 PolarHBondContact N-O 3.08Å; N600-V612 PolarHBondContact ND2-O 3.49Å; N600-V612 PolarHBondContact O-N 2.78Å; M602-V612 HydrophobicContact CG-CG2 4.41Å; M602-V612 HydrophobicContact SD-CG2 3.95Å; V610-V612 HydrophobicContact CG1-CG2 4.19Å
613H98.2Very high95Very high0 Ų06.1 Ų6.10%03%0.034CC..  trans-157.2132.6-172.6-163.5-126.6000113.8L387 D423 A596 I597 K598 P599 S625 S626 A629L387-H613 PolarHBondContact O-N 3.38Å; D423-H613 IonicContact OD2-CD2 2.72Å; A596-H613 PolarHBondContact O-NE2 3.19Å; I597-H613 PolarHBondContact O-CE1 2.87Å; K598-H613 PolarHBondContact O-NE2 3.49Å; P599-H613 HydrophobicContact CB-CB 4.07Å; H613-S625 WeakPolarHBondContact O-CA 3.47Å; H613-S626 WeakPolarHBondContact ND1-CB 3.49Å; H613-S626 PolarHBondContact ND1-OG 3.08Å; H613-S626 PolarHBondContact O-N 3.39Å; H613-S626 VanDerWaalsContact O-N 3.08Å; H613-A629 HydrophobicContact CB-CB 4.22Å
614A96.6Very high94.9Very high0 Ų06.1 Ų6.10%03%0.034CC..  trans55.7161.3-169.100000113.4R388 Q389 M548 L551 A552R388-A614 CarbonylContact C-O 3.48Å; R388-A614 WeakPolarHBondContact CA-O 3.13Å; R388-A614 WeakPolarHBondContact CB-O 3.46Å; Q389-A614 PolarHBondContact N-O 3.4Å; M548-A614 HydrophobicContact SD-CB 3.99Å; L551-A614 HydrophobicContact CD2-CB 4.16Å; L551-A614 HydrophobicContact CG-CB 4.11Å; A552-A614 HydrophobicContact CB-CB 3.71Å
615G92.9Very high94.9Very high8 Ų86.1 Ų6.18%0.0823%0.034CC..  trans-159.551.2-178.300000113.6V543 M548V543-G615 WeakPolarHBondContact CB-O 3.36Å; M548-G615 PolarHBondContact SD-N 3.08Å
616P94.1Very high94.9Very high2 Ų26.1 Ų6.11%0.0133%0.034CC..  trans-63.1149.6-179.329.1-35.5000111.2M548 A552 A618 A621 N624M548-P616 HydrophobicContact CG-CB 3.99Å; A552-P616 HydrophobicContact CB-CG 3.85Å; P616-A618 PolarHBondContact O-N 2.98Å; P616-A621 HydrophobicContact CB-CB 3.92Å; P616-N624 VanDerWaalsContact CD-O 3.24Å; P616-N624 WeakPolarHBondContact CD-O 3.35Å; P616-N624 WeakPolarHBondContact CG-O 3.34Å
617F88Confident94.9Very high56 Ų565.6 Ų5.625%0.2463%0.031CC..  trans-55.1139.1169.5-92.816.3000111.7I541 V543 A544 N619 I620 A621 G623I541-F617 HydrophobicContact CG2-CE1 3.9Å; I541-F617 HydrophobicContact CG2-CE2 4.08Å; I541-F617 HydrophobicContact CG2-CZ 3.49Å; I541-F617 VanDerWaalsContact CG2-CZ 3.49Å; V543-F617 HydrophobicContact CB-CD1 4.38Å; V543-F617 HydrophobicContact CG2-CD1 3.56Å; V543-F617 HydrophobicContact CG2-CE1 3.32Å; V543-F617 HydrophobicContact CG2-CZ 4.25Å; V543-F617 PolarHBondContact O-N 3.48Å; A544-F617 HydrophobicContact CB-CD2 4.4Å; F617-N619 VanDerWaalsContact C-N 3.31Å; F617-I620 HydrophobicContact CB-CG1 3.79Å; F617-I620 HydrophobicContact CD2-CD1 4.3Å; F617-I620 HydrophobicContact CD2-CG1 4.1Å; F617-I620 HydrophobicContact CG-CG1 4.43Å; F617-A621 CarbonylContact O-C 3.52Å; F617-A621 VanDerWaalsContact O-CA 3.25Å; F617-A621 WeakPolarHBondContact O-CA 3.4Å; F617-A621 VanDerWaalsContact O-CB 3.23Å; F617-A621 WeakPolarHBondContact O-CB 3.39Å; F617-A621 PolarHBondContact O-N 2.68Å; F617-G623 PolarHBondContact O-N 2.91Å
618A85Confident95Very high5 Ų55.6 Ų5.64%0.0413%0.031CC..THydrogen-bonded Turntrans-84.6-5.2175.700000113.2P616 A621 G623 F649 I653 K657P616-A618 PolarHBondContact O-N 2.98Å; A618-A621 CarbonylContact C-O 3.48Å; A618-G623 VanDerWaalsContact CA-CA 3.47Å; A618-F649 HydrophobicContact CB-CD2 3.29Å; A618-F649 HydrophobicContact CB-CE2 3.29Å; A618-F649 HydrophobicContact CB-CG 4.21Å; A618-F649 HydrophobicContact CB-CZ 4.22Å; A618-I653 WeakPolarHBondContact O-CG2 3.22Å; A618-K657 PolarHBondContact O-NZ 2.9Å
619N85.3Confident95Very high25 Ų255.6 Ų5.613%0.1343%0.031CC..THydrogen-bonded Turntrans-87.4-70.4173.9-71.3-15.8000110.5F617 A621 F649 K657 A843 K844F617-N619 VanDerWaalsContact C-N 3.31Å; N619-A621 VanDerWaalsContact C-N 3.31Å; N619-A621 PolarHBondContact O-N 2.8Å; N619-F649 WeakPolarHBondContact OD1-CE2 3.43Å; N619-F649 WeakPolarHBondContact OD1-CZ 3.47Å; N619-K657 PolarHBondContact O-NZ 3.02Å; N619-A843 WeakPolarHBondContact O-CA 3.38Å; N619-A843 WeakPolarHBondContact O-CB 3.49Å; N619-K844 PolarHBondContact OD1-O 2.94Å
620I88.9Confident95.1Very high14 Ų145.6 Ų5.67%0.0723%0.031CC..THydrogen-bonded Turntrans-83.5-6.7-175.362.4164.3000113.6A544 F617 A843 Y879 T887A544-I620 HydrophobicContact CB-CD1 3.66Å; F617-I620 HydrophobicContact CB-CG1 3.79Å; F617-I620 HydrophobicContact CD2-CD1 4.3Å; F617-I620 HydrophobicContact CD2-CG1 4.1Å; F617-I620 HydrophobicContact CG-CG1 4.43Å; I620-A843 HydrophobicContact CG2-CB 4.21Å; I620-Y879 HydrophobicContact CB-CD2 4.17Å; I620-Y879 HydrophobicContact CB-CE2 4.09Å; I620-Y879 HydrophobicContact CG2-CD2 4.46Å; I620-Y879 HydrophobicContact CG2-CE2 4.35Å; I620-T887 HydrophobicContact CD1-CG2 3.92Å; I620-T887 HydrophobicContact CG2-CG2 4.4Å
621A94.3Very high95.1Very high8 Ų87.6 Ų7.67%0.0664%0.04CC..SBendtrans-137.7-173.7172.500000109.5A549 P616 F617 A618 N619 G623 K657 C841 F877A549-A621 HydrophobicContact CB-CB 4.31Å; P616-A621 HydrophobicContact CB-CB 3.92Å; F617-A621 CarbonylContact O-C 3.52Å; F617-A621 VanDerWaalsContact O-CA 3.25Å; F617-A621 WeakPolarHBondContact O-CA 3.4Å; F617-A621 VanDerWaalsContact O-CB 3.23Å; F617-A621 WeakPolarHBondContact O-CB 3.39Å; F617-A621 PolarHBondContact O-N 2.68Å; A618-A621 CarbonylContact C-O 3.48Å; N619-A621 VanDerWaalsContact C-N 3.31Å; N619-A621 PolarHBondContact O-N 2.8Å; A621-G623 PolarHBondContact O-N 2.85Å; A621-K657 WeakPolarHBondContact O-CD 3.28Å; A621-K657 PolarHBondContact O-NZ 3.34Å; A621-C841 VanDerWaalsContact CA-SG 3.55Å; A621-C841 PolarHBondContact O-SG 3.45Å; A621-F877 HydrophobicContact CB-CZ 3.96Å
622H95.9Very high95.1Very high0 Ų07.6 Ų7.60%04%0.04CC..  trans-76.6-19.4-17062.4-73.5000114.2A552 L553 N624 K657 I661A552-H622 VanDerWaalsContact CB-CE1 3.45Å; A552-H622 WeakPolarHBondContact CB-CE1 3.24Å; A552-H622 WeakPolarHBondContact CB-NE2 3.49Å; L553-H622 VanDerWaalsContact CG-CE1 3.49Å; L553-H622 WeakPolarHBondContact CG-CE1 3.23Å; H622-N624 PolarHBondContact CD2-ND2 2.83Å; H622-N624 PolarHBondContact O-ND2 2.92Å; H622-K657 HydrophobicContact CB-CB 4.1Å; H622-I661 HydrophobicContact CB-CB 4.38Å; H622-I661 HydrophobicContact CB-CD1 4.16Å; H622-I661 HydrophobicContact CB-CG2 4.35Å
623G94.9Very high95.1Very high0 Ų07.6 Ų7.60%04%0.04CC..  trans74.927.8169.500000116.7R388 F617 A618 A621 G648R388-G623 WeakPolarHBondContact CD-O 3.25Å; R388-G623 PolarHBondContact NE-O 3.46Å; F617-G623 PolarHBondContact O-N 2.91Å; A618-G623 VanDerWaalsContact CA-CA 3.47Å; A621-G623 PolarHBondContact O-N 2.85Å; G623-G648 PolarHBondContact O-N 2.91Å
624N96.6Very high95.1Very high0 Ų07.8 Ų7.80%04%0.041CC..BIsolated β-bridgetrans-123.6160.4-177.5-56.7-70.9000111.2P616 H622 E646 A647 F658 K662P616-N624 VanDerWaalsContact CD-O 3.24Å; P616-N624 WeakPolarHBondContact CD-O 3.35Å; P616-N624 WeakPolarHBondContact CG-O 3.34Å; H622-N624 PolarHBondContact CD2-ND2 2.83Å; H622-N624 PolarHBondContact O-ND2 2.92Å; N624-E646 PolarHBondContact OD1-O 3.03Å; N624-A647 VanDerWaalsContact OD1-CA 3.23Å; N624-A647 WeakPolarHBondContact OD1-CA 3.45Å; N624-A647 WeakPolarHBondContact OD1-CB 3.33Å; N624-F658 HydrophobicContact CB-CD2 4.39Å; N624-F658 WeakPolarHBondContact OD1-CD2 3.18Å; N624-K662 HydrophobicContact CB-CD 3.61Å
625S97.2Very high95.1Very high0 Ų09.3 Ų9.30%05%0.047CC..  trans-66171168.857.10000111.1L387 R388 H613 T645 K662L387-S625 WeakPolarHBondContact O-CB 3.5Å; R388-S625 VanDerWaalsContact CG-N 3.34Å; H613-S625 WeakPolarHBondContact O-CA 3.47Å; S625-T645 PolarHBondContact OG-OG1 3.35Å; S625-K662 WeakPolarHBondContact O-CE 3.12Å; S625-K662 PolarHBondContact O-NZ 2.93Å
626S98.4Very high95.4Very high0 Ų09 Ų90%04%0.044CC..  trans-67.4146.7-173.873.60000114.9A552 H613 L628 A629 D630A552-S626 CarbonylContact O-C 3.46Å; A552-S626 VanDerWaalsContact O-CA 3.26Å; A552-S626 WeakPolarHBondContact O-CA 3.49Å; H613-S626 WeakPolarHBondContact ND1-CB 3.49Å; H613-S626 PolarHBondContact ND1-OG 3.08Å; H613-S626 PolarHBondContact O-N 3.39Å; H613-S626 VanDerWaalsContact O-N 3.08Å; S626-L628 VanDerWaalsContact C-N 3.31Å; S626-L628 PolarHBondContact O-N 3.19Å; S626-A629 PolarHBondContact O-N 2.82Å; S626-A629 WeakPolarHBondContact OG-CB 3.31Å; S626-A629 PolarHBondContact OG-N 3.09Å; S626-D630 PolarHBondContact O-N 2.93Å
627V98.8Very high95.5Very high0 Ų09.1 Ų9.10%04%0.044CC..Hα-helixtrans-57.6-41.1169.61670000112.3A552 D555 A629 D630 K631 K662 S666A552-V627 PolarHBondContact O-N 3.06Å; D555-V627 HydrophobicContact CB-CG1 4.43Å; V627-A629 PolarHBondContact O-N 3.15Å; V627-D630 PolarHBondContact O-N 2.91Å; V627-K631 HydrophobicContact CG1-CD 4.01Å; V627-K631 HydrophobicContact CG1-CG 4.26Å; V627-K631 WeakPolarHBondContact O-CG 3.32Å; V627-K631 PolarHBondContact O-N 3.44Å; V627-K662 HydrophobicContact CG2-CD 4.49Å; V627-K662 HydrophobicContact CG2-CG 3.92Å; V627-S666 VanDerWaalsContact CG1-CB 3.47Å
628L98.7Very high95.8Very high0 Ų06.5 Ų6.50%03%0.034CC..Hα-helixtrans-61-43.7179-81.2169.9000113L335 L338 T554 D555 I597 P599 S626 D630 K631 I632L335-L628 HydrophobicContact CD1-CD1 3.99Å; L335-L628 HydrophobicContact CD1-CD2 4.33Å; L335-L628 HydrophobicContact CD2-CD1 3.97Å; L335-L628 HydrophobicContact CD2-CD2 4Å; L335-L628 HydrophobicContact CD2-CG 4.4Å; L338-L628 HydrophobicContact CD1-CD2 3.74Å; T554-L628 HydrophobicContact CG2-CD1 3.95Å; D555-L628 VanDerWaalsContact C-CD2 3.48Å; D555-L628 WeakPolarHBondContact O-CD2 3.45Å; I597-L628 HydrophobicContact CD1-CD1 3.92Å; I597-L628 HydrophobicContact CG1-CD1 3.5Å; I597-L628 VanDerWaalsContact CG1-CD1 3.5Å; P599-L628 HydrophobicContact CG-CB 4.46Å; S626-L628 VanDerWaalsContact C-N 3.31Å; S626-L628 PolarHBondContact O-N 3.19Å; L628-D630 VanDerWaalsContact C-N 3.34Å; L628-D630 PolarHBondContact O-N 3.09Å; L628-K631 PolarHBondContact O-N 2.83Å; L628-I632 WeakPolarHBondContact O-CB 3.48Å; L628-I632 VanDerWaalsContact O-CG1 3.3Å; L628-I632 WeakPolarHBondContact O-CG1 3.13Å; L628-I632 PolarHBondContact O-N 3.43Å
629A98.7Very high96.3Very high0 Ų011.3 Ų11.30%06%0.055CC..Hα-helixtrans-58.9-45.8176.100000111.6P599 F611 H613 S626 V627 A633P599-A629 HydrophobicContact CB-CB 3.97Å; P599-A629 HydrophobicContact CG-CB 3.91Å; F611-A629 HydrophobicContact CB-CB 3.92Å; F611-A629 HydrophobicContact CD2-CB 4.06Å; F611-A629 WeakPolarHBondContact CD2-O 3.48Å; F611-A629 HydrophobicContact CG-CB 4.22Å; H613-A629 HydrophobicContact CB-CB 4.22Å; S626-A629 PolarHBondContact O-N 2.82Å; S626-A629 WeakPolarHBondContact OG-CB 3.31Å; S626-A629 PolarHBondContact OG-N 3.09Å; V627-A629 PolarHBondContact O-N 3.15Å; A629-A633 VanDerWaalsContact O-CB 3.25Å; A629-A633 WeakPolarHBondContact O-CB 3.38Å; A629-A633 PolarHBondContact O-N 3.13Å
630D98.7Very high96.7Very high0 Ų017.2 Ų17.20%08%0.082CC..Hα-helixtrans-65.2-45.3178.9-63-33.2000111.7Y349 C386 S626 V627 L628 I632 A633 L634 T645 K662 L668Y349-D630 HydrophobicContact CE2-CB 4.04Å; Y349-D630 VanDerWaalsContact OH-CG 3.24Å; Y349-D630 PolarHBondContact OH-OD2 2.9Å; C386-D630 WeakPolarHBondContact CB-OD1 3.48Å; S626-D630 PolarHBondContact O-N 2.93Å; V627-D630 PolarHBondContact O-N 2.91Å; L628-D630 VanDerWaalsContact C-N 3.34Å; L628-D630 PolarHBondContact O-N 3.09Å; D630-I632 PolarHBondContact O-N 3.08Å; D630-A633 PolarHBondContact O-N 2.51Å; D630-L634 WeakPolarHBondContact O-CB 3.41Å; D630-L634 VanDerWaalsContact O-CG 3.22Å; D630-L634 WeakPolarHBondContact O-CG 3.46Å; D630-L634 PolarHBondContact O-N 3.1Å; D630-T645 PolarHBondContact OD1-OG1 2.96Å; D630-K662 WeakPolarHBondContact OD2-CE 3.23Å; D630-K662 IonicContact OD2-NZ 3.46Å; D630-K662 PolarHBondContact OD2-NZ 2.87Å; D630-L668 HydrophobicContact CB-CD1 4.04Å
631K98.6Very high97.1Very high42 Ų4216.6 Ų16.618%0.1838%0.079CC..Hα-helixtrans-60.3-45.6178.2-74.6-174.2174-175.90111.7L338 D555 V627 L628 L634 K635 S666 L668L338-K631 HydrophobicContact CD2-CB 3.94Å; D555-K631 IonicContact OD2-NZ 3.63Å; V627-K631 HydrophobicContact CG1-CD 4.01Å; V627-K631 HydrophobicContact CG1-CG 4.26Å; V627-K631 WeakPolarHBondContact O-CG 3.32Å; V627-K631 PolarHBondContact O-N 3.44Å; L628-K631 PolarHBondContact O-N 2.83Å; K631-L634 PolarHBondContact O-N 2.63Å; K631-K635 WeakPolarHBondContact O-CG 3.27Å; K631-K635 PolarHBondContact O-N 2.93Å; K631-S666 VanDerWaalsContact CE-O 3.24Å; K631-S666 WeakPolarHBondContact CE-O 3.38Å; K631-S666 PolarHBondContact NZ-O 3.33Å; K631-L668 HydrophobicContact CG-CD1 3.99Å
632I98.6Very high97.3Very high0 Ų016.8 Ų16.80%08%0.078CC..Hα-helixtrans-63.6-47.5178.1-69.6166.9000110V333 L335 V337 L338 P599 F611 L628 D630 L634 K635 L636V333-I632 HydrophobicContact CG1-CG2 4.31Å; L335-I632 HydrophobicContact CD2-CD1 3.97Å; V337-I632 HydrophobicContact CB-CG2 4.42Å; V337-I632 HydrophobicContact CG1-CG2 4.05Å; L338-I632 HydrophobicContact CD1-CG1 4.07Å; L338-I632 HydrophobicContact CD2-CB 4.43Å; L338-I632 HydrophobicContact CD2-CG1 3.71Å; L338-I632 HydrophobicContact CG-CD1 4.49Å; L338-I632 HydrophobicContact CG-CG1 3.64Å; P599-I632 HydrophobicContact CG-CD1 4.07Å; F611-I632 HydrophobicContact CE2-CB 4.08Å; F611-I632 HydrophobicContact CE2-CG2 3.71Å; F611-I632 HydrophobicContact CZ-CG2 3.8Å; L628-I632 WeakPolarHBondContact O-CB 3.48Å; L628-I632 VanDerWaalsContact O-CG1 3.3Å; L628-I632 WeakPolarHBondContact O-CG1 3.13Å; L628-I632 PolarHBondContact O-N 3.43Å; D630-I632 PolarHBondContact O-N 3.08Å; I632-L634 VanDerWaalsContact C-N 3.32Å; I632-L634 PolarHBondContact O-N 2.89Å; I632-K635 PolarHBondContact O-N 3.2Å; I632-L636 HydrophobicContact CG2-CD1 3.7Å; I632-L636 HydrophobicContact CG2-CG 4.27Å; I632-L636 WeakPolarHBondContact O-CG 3.41Å; I632-L636 PolarHBondContact O-N 3.28Å
633A98.6Very high97.4Very high0 Ų016.8 Ų16.80%08%0.078CC..Hα-helixtrans-59.6-42.2178.700000111.9F384 F611 A629 D630 K635 L636 V637 V643F384-A633 HydrophobicContact CB-CB 3.83Å; F384-A633 HydrophobicContact CD1-CB 4.06Å; F384-A633 HydrophobicContact CD2-CB 4.1Å; F384-A633 HydrophobicContact CG-CB 3.75Å; F611-A633 HydrophobicContact CD2-CB 4.08Å; F611-A633 HydrophobicContact CE2-CB 4.14Å; A629-A633 VanDerWaalsContact O-CB 3.25Å; A629-A633 WeakPolarHBondContact O-CB 3.38Å; A629-A633 PolarHBondContact O-N 3.13Å; D630-A633 PolarHBondContact O-N 2.51Å; A633-K635 VanDerWaalsContact C-N 3.34Å; A633-K635 PolarHBondContact O-N 2.85Å; A633-L636 PolarHBondContact O-N 3.33Å; A633-V637 WeakPolarHBondContact O-CG1 3.18Å; A633-V637 WeakPolarHBondContact O-CG2 3.45Å; A633-V637 PolarHBondContact O-N 3.48Å; A633-V643 VanDerWaalsContact C-CG2 3.48Å; A633-V643 HydrophobicContact CB-CB 4.49Å; A633-V643 HydrophobicContact CB-CG1 3.98Å; A633-V643 HydrophobicContact CB-CG2 3.62Å
634L98.6Very high97.6Very high3 Ų316.8 Ų16.82%0.0168%0.078CC..Hα-helixtrans-63.1-39-179.7-77.7167.5000112.2D346 G347 Y349 D630 K631 I632 V637 V643 L668D346-L634 HydrophobicContact CB-CB 4.12Å; G347-L634 PolarHBondContact N-O 3.03Å; G347-L634 WeakPolarHBondContact O-CD2 3.33Å; Y349-L634 HydrophobicContact CD2-CD1 4.42Å; Y349-L634 HydrophobicContact CD2-CD2 4.41Å; Y349-L634 HydrophobicContact CG-CD1 4.38Å; Y349-L634 HydrophobicContact CG-CD2 4.45Å; D630-L634 WeakPolarHBondContact O-CB 3.41Å; D630-L634 VanDerWaalsContact O-CG 3.22Å; D630-L634 WeakPolarHBondContact O-CG 3.46Å; D630-L634 PolarHBondContact O-N 3.1Å; K631-L634 PolarHBondContact O-N 2.63Å; I632-L634 VanDerWaalsContact C-N 3.32Å; I632-L634 PolarHBondContact O-N 2.89Å; L634-V637 WeakPolarHBondContact O-CG2 3.24Å; L634-V643 HydrophobicContact CB-CG2 4.35Å; L634-V643 HydrophobicContact CD2-CB 3.87Å; L634-V643 HydrophobicContact CD2-CG2 3.67Å; L634-V643 HydrophobicContact CG-CB 4.18Å; L634-V643 HydrophobicContact CG-CG2 3.8Å; L634-L668 HydrophobicContact CD1-CD1 3.73Å; L634-L668 HydrophobicContact CD1-CD2 3.72Å; L634-L668 HydrophobicContact CD1-CG 4.31Å
635K97.6Very high97.7Very high32 Ų3216.8 Ų16.814%0.1398%0.078CC..Hα-helixtrans-67.6-42.6172.8-68.6-53.8-168.7-163.20112.5L338 L341 K342 Q344 D346 K631 I632 A633 G638L338-K635 HydrophobicContact CD2-CG 4.19Å; L341-K635 HydrophobicContact CB-CB 3.85Å; L341-K635 HydrophobicContact CB-CD 4.5Å; L341-K635 HydrophobicContact CB-CG 4.21Å; L341-K635 HydrophobicContact CD1-CB 3.97Å; L341-K635 VanDerWaalsContact O-CD 3.27Å; L341-K635 WeakPolarHBondContact O-CD 3.49Å; L341-K635 WeakPolarHBondContact O-CE 3.39Å; K342-K635 PolarHBondContact O-NZ 3.28Å; Q344-K635 HydrophobicContact CB-CD 4.41Å; Q344-K635 VanDerWaalsContact O-CD 3.29Å; Q344-K635 WeakPolarHBondContact O-CD 3.44Å; Q344-K635 WeakPolarHBondContact O-CE 3.43Å; Q344-K635 PolarHBondContact O-NZ 3.31Å; D346-K635 WeakPolarHBondContact OD1-CD 3.47Å; D346-K635 WeakPolarHBondContact OD1-CE 3.49Å; D346-K635 IonicContact OD1-NZ 2.73Å; D346-K635 PolarHBondContact OD1-NZ 3.46Å; K631-K635 WeakPolarHBondContact O-CG 3.27Å; K631-K635 PolarHBondContact O-N 2.93Å; I632-K635 PolarHBondContact O-N 3.2Å; A633-K635 VanDerWaalsContact C-N 3.34Å; A633-K635 PolarHBondContact O-N 2.85Å; K635-G638 PolarHBondContact O-N 3.02Å
636L97.3Very high97.7Very high3 Ų317 Ų172%0.0168%0.079CC..Hα-helixtrans-67.9-40.8-176.8-74.3171.6000112.8H278 W281 L318 V337 L341 F384 F611 I632 A633 G638H278-L636 PolarHBondContact NE2-O 3.3Å; W281-L636 HydrophobicContact CZ2-CB 4.12Å; W281-L636 WeakPolarHBondContact CZ2-O 3.06Å; W281-L636 PolarHBondContact NE1-O 2.62Å; L318-L636 HydrophobicContact CD2-CD1 4.01Å; L318-L636 HydrophobicContact CD2-CD2 3.9Å; L318-L636 HydrophobicContact CG-CD1 4.33Å; L318-L636 HydrophobicContact CG-CD2 4.26Å; V337-L636 HydrophobicContact CG1-CD2 4.09Å; V337-L636 HydrophobicContact CG1-CG 4.32Å; L341-L636 HydrophobicContact CD1-CD2 3.87Å; L341-L636 HydrophobicContact CD1-CG 4.4Å; F384-L636 HydrophobicContact CE2-CD1 3.95Å; F611-L636 HydrophobicContact CZ-CD1 4.38Å; I632-L636 HydrophobicContact CG2-CD1 3.7Å; I632-L636 HydrophobicContact CG2-CG 4.27Å; I632-L636 WeakPolarHBondContact O-CG 3.41Å; I632-L636 PolarHBondContact O-N 3.28Å; A633-L636 PolarHBondContact O-N 3.33Å; L636-G638 VanDerWaalsContact C-N 3.28Å; L636-G638 PolarHBondContact O-N 3.15Å
637V97.2Very high97.5Very high3 Ų317.1 Ų17.12%0.0188%0.08CC..Hα-helixtrans-71-26.8-178.9-61.70000112.3W281 N382 F384 A633 L634 V643W281-V637 HydrophobicContact CH2-CG1 3.67Å; W281-V637 HydrophobicContact CZ2-CB 4.34Å; W281-V637 HydrophobicContact CZ2-CG1 3.83Å; N382-V637 HydrophobicContact CB-CB 4.19Å; N382-V637 WeakPolarHBondContact CB-O 3.06Å; N382-V637 PolarHBondContact ND2-O 3.06Å; F384-V637 HydrophobicContact CB-CG1 3.9Å; F384-V637 HydrophobicContact CD2-CG1 4.23Å; A633-V637 WeakPolarHBondContact O-CG1 3.18Å; A633-V637 WeakPolarHBondContact O-CG2 3.45Å; A633-V637 PolarHBondContact O-N 3.48Å; L634-V637 WeakPolarHBondContact O-CG2 3.24Å; V637-V643 HydrophobicContact CG1-CG2 4.21Å; V637-V643 HydrophobicContact CG2-CG2 3.9Å
638G94.8Very high97.1Very high2 Ų217.2 Ų17.22%0.0218%0.081CC..  trans74.3174.1-176.300000113.6G347 K635 L636 E640 G641G347-G638 WeakPolarHBondContact CA-O 3.02Å; G347-G638 PolarHBondContact N-O 3.11Å; K635-G638 PolarHBondContact O-N 3.02Å; L636-G638 VanDerWaalsContact C-N 3.28Å; L636-G638 PolarHBondContact O-N 3.15Å; G638-E640 VanDerWaalsContact C-N 3.26Å; G638-E640 PolarHBondContact O-N 3.13Å; G638-E640 VanDerWaalsContact O-N 3.12Å; G638-G641 WeakPolarHBondContact O-CA 3.44Å; G638-G641 PolarHBondContact O-N 3.27Å
639E94.3Very high96.9Very high105 Ų10519.4 Ų19.449%0.4919%0.09SC..THydrogen-bonded Turntrans-52.9-37-170.5-173.4174.4-173.200115A345A345-E639 HydrophobicContact CB-CB 4.09Å; A345-E639 HydrophobicContact CB-CG 4.35Å; A345-E639 PolarHBondContact O-N 2.7Å
640E93.4Very high96.7Very high150 Ų15019.4 Ų19.470%0.7019%0.09SC*.THydrogen-bonded Turntrans-87.7-5.2-179.4-62.4-58138.900113.5G638G638-E640 VanDerWaalsContact C-N 3.26Å; G638-E640 PolarHBondContact O-N 3.13Å; G638-E640 VanDerWaalsContact O-N 3.12Å
641G97.2Very high96.6Very high0 Ų019.4 Ų19.40%09%0.09CC..  trans-91.3174.2-177.700000113.7K348 N382 G638K348-G641 PolarHBondContact N-O 3.31Å; N382-G641 CarbonylContact O-C 3.56Å; N382-G641 WeakPolarHBondContact O-CA 3.24Å; G638-G641 WeakPolarHBondContact O-CA 3.44Å; G638-G641 PolarHBondContact O-N 3.27Å
642F98.6Very high96.5Very high12 Ų1217.4 Ų17.45%0.0538%0.082CC..EExtended strand (participates in β ladder)trans-131.4132-174.5-74.7-104.2000112.3K348 V350 L375 V381 N382 S383 F384 V780 R781 A784K348-F642 HydrophobicContact CB-CD1 3.74Å; K348-F642 HydrophobicContact CB-CE1 3.69Å; K348-F642 HydrophobicContact CB-CG 4.19Å; K348-F642 HydrophobicContact CB-CZ 4.09Å; K348-F642 HydrophobicContact CG-CD1 4.43Å; K348-F642 HydrophobicContact CG-CE1 4Å; K348-F642 HydrophobicContact CG-CE2 4.25Å; K348-F642 HydrophobicContact CG-CZ 3.88Å; K348-F642 CarbonylContact O-C 3.59Å; K348-F642 WeakPolarHBondContact O-CA 3.45Å; V350-F642 HydrophobicContact CG2-CD1 3.81Å; V350-F642 HydrophobicContact CG2-CE1 4.44Å; L375-F642 HydrophobicContact CD1-CB 3.94Å; L375-F642 HydrophobicContact CD1-CG 4.25Å; V381-F642 HydrophobicContact CG1-CD2 3.62Å; V381-F642 HydrophobicContact CG1-CE2 4.07Å; N382-F642 PolarHBondContact O-N 3.04Å; S383-F642 CarbonylContact C-O 3.51Å; S383-F642 WeakPolarHBondContact CA-O 3.25Å; S383-F642 WeakPolarHBondContact CB-O 3.37Å; F384-F642 PolarHBondContact N-O 3.26Å; F642-V780 HydrophobicContact CD1-CG1 4.46Å; F642-V780 HydrophobicContact CE1-CG1 4.32Å; F642-R781 HydrophobicContact CE1-CG 4.29Å; F642-R781 HydrophobicContact CE2-CG 3.99Å; F642-R781 HydrophobicContact CZ-CB 4.3Å; F642-R781 HydrophobicContact CZ-CG 3.69Å; F642-A784 HydrophobicContact CE1-CB 3.72Å; F642-A784 HydrophobicContact CZ-CB 4.12Å
643V98.8Very high96.3Very high0 Ų017.4 Ų17.40%08%0.082CC..EExtended strand (participates in β ladder)trans-108.3120.2167.6177.60000108.7K348 Y349 V350 F384 A633 L634 V637K348-V643 PolarHBondContact O-N 3.26Å; Y349-V643 HydrophobicContact CD2-CB 4.21Å; Y349-V643 HydrophobicContact CD2-CG1 4.16Å; Y349-V643 HydrophobicContact CE2-CG1 4.26Å; V350-V643 PolarHBondContact N-O 3.45Å; F384-V643 HydrophobicContact CB-CG2 4.23Å; F384-V643 WeakPolarHBondContact O-CA 3.42Å; A633-V643 VanDerWaalsContact C-CG2 3.48Å; A633-V643 HydrophobicContact CB-CB 4.49Å; A633-V643 HydrophobicContact CB-CG1 3.98Å; A633-V643 HydrophobicContact CB-CG2 3.62Å; L634-V643 HydrophobicContact CB-CG2 4.35Å; L634-V643 HydrophobicContact CD2-CB 3.87Å; L634-V643 HydrophobicContact CD2-CG2 3.67Å; L634-V643 HydrophobicContact CG-CB 4.18Å; L634-V643 HydrophobicContact CG-CG2 3.8Å; V637-V643 HydrophobicContact CG1-CG2 4.21Å; V637-V643 HydrophobicContact CG2-CG2 3.9Å
644V98.8Very high96.2Very high0 Ų017.4 Ų17.40%08%0.082CC..EExtended strand (participates in β ladder)trans-103.6112.8177.1-1670000108.5V350 V352 T368 L371 V372 L375 F384 A385 C386V350-V644 HydrophobicContact CB-CG2 4.43Å; V350-V644 HydrophobicContact CG1-CG1 4.41Å; V352-V644 HydrophobicContact CG2-CG1 3.52Å; T368-V644 HydrophobicContact CG2-CB 4.47Å; T368-V644 HydrophobicContact CG2-CG1 3.88Å; L371-V644 HydrophobicContact CD2-CG1 3.89Å; L371-V644 HydrophobicContact CD2-CG2 4.15Å; L371-V644 HydrophobicContact CG-CG1 4.48Å; L371-V644 HydrophobicContact CG-CG2 4.19Å; V372-V644 HydrophobicContact CB-CG2 4.39Å; V372-V644 HydrophobicContact CG2-CG2 4.45Å; L375-V644 HydrophobicContact CD1-CG2 4.11Å; F384-V644 PolarHBondContact O-N 3.43Å; A385-V644 CarbonylContact C-O 3.59Å; A385-V644 VanDerWaalsContact CA-O 3.25Å; A385-V644 WeakPolarHBondContact CA-O 3.45Å; C386-V644 PolarHBondContact N-O 3.28Å
645T98.4Very high96.2Very high0 Ų017.3 Ų17.30%08%0.081CC..EExtended strand (participates in β ladder)trans-116.1169.7176.7-158.80000109.4Y349 V350 L351 V352 C386 S625 D630 F658Y349-T645 HydrophobicContact CD2-CG2 4.35Å; Y349-T645 HydrophobicContact CE2-CG2 3.45Å; Y349-T645 VanDerWaalsContact CE2-CG2 3.45Å; V350-T645 PolarHBondContact O-N 2.86Å; L351-T645 HydrophobicContact CD1-CG2 4.01Å; V352-T645 PolarHBondContact N-O 3.2Å; C386-T645 PolarHBondContact O-OG1 2.95Å; S625-T645 PolarHBondContact OG-OG1 3.35Å; D630-T645 PolarHBondContact OD1-OG1 2.96Å; T645-F658 HydrophobicContact CG2-CE2 3.69Å; T645-F658 HydrophobicContact CG2-CZ 4.02Å
646E97.1Very high96.2Very high6 Ų615.8 Ų15.83%0.0287%0.074CC..EExtended strand (participates in β ladder)trans-134.7157.5179.360.9162.9-125.900113.4V352 S365 T368 L387 R388 N624V352-E646 HydrophobicContact CB-CB 4.24Å; V352-E646 VanDerWaalsContact O-CA 3.27Å; V352-E646 WeakPolarHBondContact O-CA 3.42Å; S365-E646 VanDerWaalsContact CA-OE2 3.24Å; S365-E646 WeakPolarHBondContact CA-OE2 3.48Å; S365-E646 VanDerWaalsContact CB-OE2 3.32Å; S365-E646 WeakPolarHBondContact CB-OE2 3.38Å; S365-E646 PolarHBondContact OG-OE1 3.35Å; S365-E646 PolarHBondContact OG-OE2 3.45Å; T368-E646 PolarHBondContact OG1-OE2 3.24Å; L387-E646 HydrophobicContact CD2-CG 3.87Å; R388-E646 IonicContact CZ-OE1 2.72Å; R388-E646 IonicContact NE-OE1 2.9Å; R388-E646 IonicContact NH2-OE1 3.41Å; R388-E646 PolarHBondContact NH2-OE1 3.49Å; N624-E646 PolarHBondContact OD1-O 3.03Å
647A94.6Very high96.2Very high1 Ų115.6 Ų15.61%0.0087%0.074CC..BIsolated β-bridgetrans-114.5140.8170.200000112.1L351 V352 N624 F658L351-A647 HydrophobicContact CD1-CB 4.06Å; V352-A647 PolarHBondContact O-N 3.36Å; N624-A647 VanDerWaalsContact OD1-CA 3.23Å; N624-A647 WeakPolarHBondContact OD1-CA 3.45Å; N624-A647 WeakPolarHBondContact OD1-CB 3.33Å; A647-F658 HydrophobicContact CB-CB 4.46Å
648G91.6Very high96.3Very high2 Ų215.5 Ų15.52%0.0217%0.073CC..SBendtrans-65.5146.3177.200000113.4G623 G654G623-G648 PolarHBondContact O-N 2.91Å; G648-G654 WeakPolarHBondContact O-CA 3.22Å; G648-G654 PolarHBondContact O-N 3.16Å
649F92.8Very high96.5Very high46 Ų4615.4 Ų15.420%0.2027%0.072CC..SBendtrans64.3-146.8-177-52.4-49.8000114.6P357 K364 A618 N619 I653 H846P357-F649 HydrophobicContact CG-CB 4.08Å; P357-F649 HydrophobicContact CG-CD1 4.23Å; K364-F649 WeakPolarHBondContact CD-O 3.27Å; K364-F649 WeakPolarHBondContact CE-O 3.24Å; K364-F649 PolarHBondContact NZ-O 3.5Å; A618-F649 HydrophobicContact CB-CD2 3.29Å; A618-F649 HydrophobicContact CB-CE2 3.29Å; A618-F649 HydrophobicContact CB-CG 4.21Å; A618-F649 HydrophobicContact CB-CZ 4.22Å; N619-F649 WeakPolarHBondContact OD1-CE2 3.43Å; N619-F649 WeakPolarHBondContact OD1-CZ 3.47Å; F649-I653 HydrophobicContact CB-CB 4.32Å; F649-I653 HydrophobicContact CD2-CG2 3.99Å; F649-H846 HydrophobicContact CB-CB 3.94Å; F649-H846 HydrophobicContact CD1-CB 3.36Å; F649-H846 AromaticContact CD1-CD2 3.66Å; F649-H846 AromaticContact CD1-CG 3.45Å; F649-H846 VanDerWaalsContact CD1-CG 3.45Å; F649-H846 HydrophobicContact CD2-CB 3.79Å; F649-H846 HydrophobicContact CE1-CB 3.69Å; F649-H846 AromaticContact CE1-CD2 3.62Å; F649-H846 AromaticContact CE1-CE1 4Å; F649-H846 AromaticContact CE1-CG 3.35Å; F649-H846 AromaticContact CE1-ND1 3.61Å; F649-H846 HydrophobicContact CE2-CB 4.09Å; F649-H846 HydrophobicContact CG-CB 3.42Å; F649-H846 VanDerWaalsContact CG-CB 3.42Å; F649-H846 HydrophobicContact CZ-CB 4.04Å; F649-H846 AromaticContact CZ-CG 3.86Å; F649-H846 AromaticContact CZ-ND1 3.78Å
650G94.3Very high96.7Very high0 Ų010.4 Ų10.40%05%0.048CC..  trans-93.5176.6-179.200000112.4G354 I355 D652 I653 G654G354-G650 CarbonylContact O-C 3.54Å; G354-G650 WeakPolarHBondContact O-CA 3.3Å; I355-G650 WeakPolarHBondContact O-CA 3.36Å; G650-D652 PolarHBondContact O-N 2.79Å; G650-I653 PolarHBondContact O-N 2.89Å; G650-I653 VanDerWaalsContact O-N 3.14Å; G650-G654 PolarHBondContact O-N 3.16Å
651A97.1Very high96.9Very high0 Ų03.5 Ų3.50%02%0.016CC..Iπ-helixtrans-63.6-26.8179.500000113A353 G354 I653 M655 E656 L675 Q719A353-A651 HydrophobicContact CB-CB 4.43Å; G354-A651 PolarHBondContact O-N 2.93Å; A651-I653 VanDerWaalsContact C-N 3.26Å; A651-I653 PolarHBondContact O-N 2.97Å; A651-M655 HydrophobicContact CB-CB 4.07Å; A651-M655 HydrophobicContact CB-CE 3.42Å; A651-M655 VanDerWaalsContact CB-CE 3.42Å; A651-M655 HydrophobicContact CB-SD 3.87Å; A651-M655 WeakPolarHBondContact O-CB 3.47Å; A651-E656 PolarHBondContact O-N 3.4Å; A651-E656 VanDerWaalsContact O-N 3.16Å; A651-L675 HydrophobicContact CB-CD2 3.71Å; A651-Q719 HydrophobicContact CB-CB 4.37Å
652D96.1Very high97Very high0 Ų03.5 Ų3.50%02%0.016CC..Iπ-helixtrans-66.6-21.5174.959.4-60.3000114.3G650 Q719 I722 V811 Y812 L849G650-D652 PolarHBondContact O-N 2.79Å; D652-Q719 VanDerWaalsContact N-OE1 3.1Å; D652-Q719 PolarHBondContact OD1-NE2 2.78Å; D652-I722 HydrophobicContact CB-CD1 3.97Å; D652-V811 HydrophobicContact CB-CG1 3.94Å; D652-Y812 HydrophobicContact CB-CD1 4.33Å; D652-Y812 HydrophobicContact CB-CE1 4.18Å; D652-Y812 VanDerWaalsContact O-CE1 3.29Å; D652-Y812 WeakPolarHBondContact O-CE1 3.25Å; D652-L849 HydrophobicContact CB-CD2 3.53Å
653I95.7Very high97Very high1 Ų13.1 Ų3.11%0.0052%0.015CC..Iπ-helixtrans-119.8-64.1-179.6-61177.3000110.9A618 F649 G650 A651 K657 K844 H846A618-I653 WeakPolarHBondContact O-CG2 3.22Å; F649-I653 HydrophobicContact CB-CB 4.32Å; F649-I653 HydrophobicContact CD2-CG2 3.99Å; G650-I653 PolarHBondContact O-N 2.89Å; G650-I653 VanDerWaalsContact O-N 3.14Å; A651-I653 VanDerWaalsContact C-N 3.26Å; A651-I653 PolarHBondContact O-N 2.97Å; I653-K657 HydrophobicContact CG2-CD 4.19Å; I653-K657 WeakPolarHBondContact O-CB 3.35Å; I653-K657 WeakPolarHBondContact O-CD 3.5Å; I653-K657 WeakPolarHBondContact O-CG 3.45Å; I653-K657 PolarHBondContact O-N 2.77Å; I653-K657 VanDerWaalsContact O-N 3.12Å; I653-K844 HydrophobicContact CD1-CG 3.94Å; I653-K844 HydrophobicContact CG1-CG 4.36Å; I653-H846 HydrophobicContact CD1-CB 4.02Å
654G96.1Very high96.9Very high0 Ų06.6 Ų6.60%03%0.028CC..Iπ-helixtrans-66.2-51.5-172.800000112.6G648 G650 K657 F658G648-G654 WeakPolarHBondContact O-CA 3.22Å; G648-G654 PolarHBondContact O-N 3.16Å; G650-G654 PolarHBondContact O-N 3.16Å; G654-K657 PolarHBondContact O-N 2.93Å; G654-F658 WeakPolarHBondContact O-CB 3.47Å; G654-F658 PolarHBondContact O-N 2.83Å
655M97.8Very high96.8Very high0 Ų08 Ų80%04%0.04CC..Iπ-helixtrans-68.4-42.2-177.8179.9-174.178.200111.6L351 A353 A651 K657 F658 F659 V673 I722 T723L351-M655 HydrophobicContact CD2-CB 4.26Å; L351-M655 HydrophobicContact CD2-CG 3.69Å; A353-M655 HydrophobicContact CB-CB 4.01Å; A651-M655 HydrophobicContact CB-CB 4.07Å; A651-M655 HydrophobicContact CB-CE 3.42Å; A651-M655 VanDerWaalsContact CB-CE 3.42Å; A651-M655 HydrophobicContact CB-SD 3.87Å; A651-M655 WeakPolarHBondContact O-CB 3.47Å; M655-K657 VanDerWaalsContact C-N 3.3Å; M655-K657 PolarHBondContact O-N 3.37Å; M655-F658 WeakPolarHBondContact O-CB 3.42Å; M655-F658 PolarHBondContact O-N 3.12Å; M655-F658 VanDerWaalsContact O-N 3.16Å; M655-F659 HydrophobicContact CE-CE2 4.06Å; M655-F659 HydrophobicContact CG-CD2 3.87Å; M655-F659 HydrophobicContact CG-CE1 4.4Å; M655-F659 HydrophobicContact CG-CE2 3.36Å; M655-F659 HydrophobicContact CG-CZ 3.66Å; M655-F659 WeakPolarHBondContact O-CD2 3.33Å; M655-F659 WeakPolarHBondContact O-CG 3.13Å; M655-F659 PolarHBondContact O-N 2.89Å; M655-F659 HydrophobicContact SD-CE2 3.74Å; M655-F659 HydrophobicContact SD-CZ 4.05Å; M655-V673 HydrophobicContact SD-CG1 3.83Å; M655-V673 HydrophobicContact SD-CG2 4.16Å; M655-I722 HydrophobicContact CE-CB 4.43Å; M655-I722 HydrophobicContact CE-CG2 3.7Å; M655-T723 HydrophobicContact CE-CG2 4.37Å; M655-T723 VanDerWaalsContact CE-OG1 3.29Å; M655-T723 WeakPolarHBondContact CE-OG1 3.35Å; M655-T723 HydrophobicContact SD-CG2 4.06Å; M655-T723 PolarHBondContact SD-OG1 2.99Å
656E98.1Very high96.8Very high0 Ų08.5 Ų8.50%04%0.043CC..Hα-helixtrans-53.1-48.7173.6-174.1-75.1134.800111.1A651 F659 N660 F726 V811A651-E656 PolarHBondContact O-N 3.4Å; A651-E656 VanDerWaalsContact O-N 3.16Å; E656-F659 PolarHBondContact O-N 3.02Å; E656-N660 PolarHBondContact O-N 2.72Å; E656-N660 PolarHBondContact O-ND2 3.31Å; E656-N660 PolarHBondContact OE1-ND2 2.75Å; E656-F726 HydrophobicContact CG-CZ 4.43Å; E656-V811 HydrophobicContact CG-CG2 4.1Å
657K98.3Very high96.8Very high0 Ų011.1 Ų11.10%07%0.072CC..Hα-helixtrans-69.8-35.5177.3-67.8172.6-171.3-173.80112.9A618 N619 A621 H622 I653 G654 M655 F659 I661 K662 C841 M842A618-K657 PolarHBondContact O-NZ 2.9Å; N619-K657 PolarHBondContact O-NZ 3.02Å; A621-K657 WeakPolarHBondContact O-CD 3.28Å; A621-K657 PolarHBondContact O-NZ 3.34Å; H622-K657 HydrophobicContact CB-CB 4.1Å; I653-K657 HydrophobicContact CG2-CD 4.19Å; I653-K657 WeakPolarHBondContact O-CB 3.35Å; I653-K657 WeakPolarHBondContact O-CD 3.5Å; I653-K657 WeakPolarHBondContact O-CG 3.45Å; I653-K657 PolarHBondContact O-N 2.77Å; I653-K657 VanDerWaalsContact O-N 3.12Å; G654-K657 PolarHBondContact O-N 2.93Å; M655-K657 VanDerWaalsContact C-N 3.3Å; M655-K657 PolarHBondContact O-N 3.37Å; K657-F659 VanDerWaalsContact C-N 3.3Å; K657-F659 PolarHBondContact O-N 3.43Å; K657-I661 HydrophobicContact CB-CD1 4.16Å; K657-I661 HydrophobicContact CG-CD1 4.22Å; K657-I661 WeakPolarHBondContact O-CA 3.27Å; K657-I661 WeakPolarHBondContact O-CB 3.01Å; K657-I661 PolarHBondContact O-N 2.77Å; K657-K662 PolarHBondContact O-N 3.29Å; K657-C841 PolarHBondContact NZ-SG 3.47Å; K657-M842 WeakPolarHBondContact CE-O 3.4Å; K657-M842 PolarHBondContact NZ-O 2.93Å
658F98.5Very high96.9Very high0 Ų011.9 Ų11.90%08%0.076CC..Iπ-helixtrans-57-48.4173.3-179.5-79.6000109.9Y349 L351 N624 T645 A647 G654 M655 K662 C663 P670Y349-F658 HydrophobicContact CD1-CZ 4.48Å; Y349-F658 HydrophobicContact CE1-CE1 4.19Å; Y349-F658 HydrophobicContact CE1-CE2 4.42Å; Y349-F658 AromaticContact CE1-CZ 3.47Å; Y349-F658 HydrophobicContact CE1-CZ 3.47Å; Y349-F658 VanDerWaalsContact CE1-CZ 3.47Å; Y349-F658 AromaticContact CZ-CZ 3.52Å; Y349-F658 WeakPolarHBondContact OH-CE2 3.41Å; Y349-F658 WeakPolarHBondContact OH-CZ 3.3Å; L351-F658 HydrophobicContact CB-CZ 4.48Å; L351-F658 HydrophobicContact CD1-CD1 4.33Å; L351-F658 HydrophobicContact CD1-CD2 3.69Å; L351-F658 HydrophobicContact CD1-CE1 4.38Å; L351-F658 HydrophobicContact CD1-CE2 3.74Å; L351-F658 HydrophobicContact CD1-CG 3.99Å; L351-F658 HydrophobicContact CD1-CZ 4.06Å; L351-F658 HydrophobicContact CD2-CB 4.19Å; L351-F658 HydrophobicContact CD2-CD1 3.55Å; L351-F658 HydrophobicContact CD2-CD2 4.35Å; L351-F658 HydrophobicContact CD2-CE1 3.9Å; L351-F658 HydrophobicContact CD2-CG 3.78Å; L351-F658 HydrophobicContact CD2-CZ 4.4Å; L351-F658 HydrophobicContact CG-CD1 4.47Å; N624-F658 HydrophobicContact CB-CD2 4.39Å; N624-F658 WeakPolarHBondContact OD1-CD2 3.18Å; T645-F658 HydrophobicContact CG2-CE2 3.69Å; T645-F658 HydrophobicContact CG2-CZ 4.02Å; A647-F658 HydrophobicContact CB-CB 4.46Å; G654-F658 WeakPolarHBondContact O-CB 3.47Å; G654-F658 PolarHBondContact O-N 2.83Å; M655-F658 WeakPolarHBondContact O-CB 3.42Å; M655-F658 PolarHBondContact O-N 3.12Å; M655-F658 VanDerWaalsContact O-N 3.16Å; F658-K662 HydrophobicContact CD2-CB 4.44Å; F658-K662 HydrophobicContact CD2-CD 3.83Å; F658-K662 HydrophobicContact CE2-CD 3.87Å; F658-K662 CarbonylContact O-C 3.6Å; F658-K662 WeakPolarHBondContact O-CA 3.44Å; F658-K662 WeakPolarHBondContact O-CB 3.49Å; F658-K662 PolarHBondContact O-N 2.79Å; F658-C663 WeakPolarHBondContact CE1-SG 3.4Å; F658-C663 PolarHBondContact O-N 2.98Å; F658-C663 PolarHBondContact O-SG 3.08Å; F658-P670 HydrophobicContact CE1-CG 3.92Å
659F98.3Very high97.1Very high0 Ų014.8 Ų14.80%09%0.093CC..Iπ-helixtrans-71-50.7178.9-63.5-31.8000113.2L351 M655 E656 K657 I661 C663 P670 V673 F726 V728 F790 F792L351-F659 HydrophobicContact CD2-CE1 3.82Å; L351-F659 HydrophobicContact CD2-CZ 4.03Å; M655-F659 HydrophobicContact CE-CE2 4.06Å; M655-F659 HydrophobicContact CG-CD2 3.87Å; M655-F659 HydrophobicContact CG-CE1 4.4Å; M655-F659 HydrophobicContact CG-CE2 3.36Å; M655-F659 HydrophobicContact CG-CZ 3.66Å; M655-F659 WeakPolarHBondContact O-CD2 3.33Å; M655-F659 WeakPolarHBondContact O-CG 3.13Å; M655-F659 PolarHBondContact O-N 2.89Å; M655-F659 HydrophobicContact SD-CE2 3.74Å; M655-F659 HydrophobicContact SD-CZ 4.05Å; E656-F659 PolarHBondContact O-N 3.02Å; K657-F659 VanDerWaalsContact C-N 3.3Å; K657-F659 PolarHBondContact O-N 3.43Å; F659-I661 PolarHBondContact O-N 2.9Å; F659-C663 WeakPolarHBondContact O-CB 3.2Å; F659-P670 HydrophobicContact CD1-CG 4.29Å; F659-P670 HydrophobicContact CE1-CG 3.48Å; F659-P670 VanDerWaalsContact CE1-CG 3.48Å; F659-P670 HydrophobicContact CZ-CG 4.34Å; F659-V673 HydrophobicContact CZ-CG2 3.77Å; F659-F726 HydrophobicContact CB-CD1 3.62Å; F659-F726 HydrophobicContact CB-CE1 3.56Å; F659-F726 HydrophobicContact CB-CG 4.35Å; F659-F726 HydrophobicContact CB-CZ 4.25Å; F659-F726 HydrophobicContact CD2-CB 3.74Å; F659-F726 AromaticContact CD2-CD1 3.39Å; F659-F726 HydrophobicContact CD2-CD1 3.39Å; F659-F726 AromaticContact CD2-CD2 3.38Å; F659-F726 HydrophobicContact CD2-CD2 3.38Å; F659-F726 AromaticContact CD2-CE1 3.73Å; F659-F726 HydrophobicContact CD2-CE1 3.73Å; F659-F726 AromaticContact CD2-CE2 3.74Å; F659-F726 HydrophobicContact CD2-CE2 3.74Å; F659-F726 AromaticContact CD2-CG 3.2Å; F659-F726 HydrophobicContact CD2-CG 3.2Å; F659-F726 AromaticContact CD2-CZ 3.9Å; F659-F726 HydrophobicContact CD2-CZ 3.9Å; F659-F726 HydrophobicContact CE2-CB 3.74Å; F659-F726 HydrophobicContact CE2-CD1 4.26Å; F659-F726 AromaticContact CE2-CD2 3.67Å; F659-F726 HydrophobicContact CE2-CD2 3.67Å; F659-F726 HydrophobicContact CE2-CE2 4.33Å; F659-F726 AromaticContact CE2-CG 3.64Å; F659-F726 HydrophobicContact CE2-CG 3.64Å; F659-F726 HydrophobicContact CG-CB 4.48Å; F659-F726 AromaticContact CG-CD1 3.8Å; F659-F726 HydrophobicContact CG-CD1 3.8Å; F659-F726 HydrophobicContact CG-CE1 4.1Å; F659-F726 HydrophobicContact CG-CG 4.04Å; F659-V728 HydrophobicContact CZ-CG2 4.21Å; F659-F790 HydrophobicContact CB-CE2 4.08Å; F659-F790 HydrophobicContact CB-CZ 4.21Å; F659-F790 AromaticContact CD1-CE2 3.75Å; F659-F790 HydrophobicContact CD1-CE2 3.75Å; F659-F790 HydrophobicContact CD1-CZ 4.41Å; F659-F790 HydrophobicContact CE1-CE2 4.36Å; F659-F790 AromaticContact CG-CE2 3.91Å; F659-F790 HydrophobicContact CG-CE2 3.91Å; F659-F790 HydrophobicContact CG-CZ 4.5Å; F659-F792 WeakPolarHBondContact O-CD1 3.38Å; F659-F792 VanDerWaalsContact O-CE1 3.23Å; F659-F792 WeakPolarHBondContact O-CE1 3.23Å
660N98.3Very high97.3Very high0 Ų012.6 Ų12.60%08%0.084CC..Iπ-helixtrans-81.7-11.7-172.8-73.1-53.2000114.3E656 R664 F726 L793 Y794 P839E656-N660 PolarHBondContact O-N 2.72Å; E656-N660 PolarHBondContact O-ND2 3.31Å; E656-N660 PolarHBondContact OE1-ND2 2.75Å; N660-R664 WeakPolarHBondContact O-CD 3.18Å; N660-R664 WeakPolarHBondContact O-CG 3.48Å; N660-R664 PolarHBondContact O-NE 3.18Å; N660-F726 WeakPolarHBondContact ND2-CE1 3.47Å; N660-L793 WeakPolarHBondContact ND2-CB 3.23Å; N660-L793 PolarHBondContact OD1-N 3.43Å; N660-Y794 HydrophobicContact CB-CE1 4.3Å; N660-P839 WeakPolarHBondContact O-CB 3.22Å
661I98.6Very high97.4Very high5 Ų514.5 Ų14.53%0.0269%0.094CC..Iπ-helixtrans-122.1-61.2179.2-52173.9000110.9L553 H622 K657 F659 R664 A665 P839 C841 F877L553-I661 HydrophobicContact CD1-CG2 3.92Å; L553-I661 HydrophobicContact CD2-CG2 4.2Å; H622-I661 HydrophobicContact CB-CB 4.38Å; H622-I661 HydrophobicContact CB-CD1 4.16Å; H622-I661 HydrophobicContact CB-CG2 4.35Å; K657-I661 HydrophobicContact CB-CD1 4.16Å; K657-I661 HydrophobicContact CG-CD1 4.22Å; K657-I661 WeakPolarHBondContact O-CA 3.27Å; K657-I661 WeakPolarHBondContact O-CB 3.01Å; K657-I661 PolarHBondContact O-N 2.77Å; F659-I661 PolarHBondContact O-N 2.9Å; I661-R664 PolarHBondContact O-N 3.01Å; I661-A665 WeakPolarHBondContact O-CB 3.38Å; I661-A665 PolarHBondContact O-N 2.9Å; I661-P839 HydrophobicContact CG1-CB 4.21Å; I661-P839 HydrophobicContact CG1-CG 4.32Å; I661-C841 HydrophobicContact CD1-CB 3.65Å; I661-F877 HydrophobicContact CD1-CB 4.29Å; I661-F877 HydrophobicContact CD1-CD1 4.44Å; I661-F877 HydrophobicContact CD1-CG 4.35Å; I661-F877 HydrophobicContact CG2-CD1 4.02Å
662K98.5Very high97.5Very high0 Ų014.5 Ų14.50%09%0.094CC..Iπ-helixtrans-67.9-44.5-172.2-175.7170.2169.6-1800112.3L553 N624 S625 V627 D630 K657 F658 R664 A665 S666L553-K662 HydrophobicContact CD2-CB 4.24Å; L553-K662 HydrophobicContact CD2-CG 4.42Å; N624-K662 HydrophobicContact CB-CD 3.61Å; S625-K662 WeakPolarHBondContact O-CE 3.12Å; S625-K662 PolarHBondContact O-NZ 2.93Å; V627-K662 HydrophobicContact CG2-CD 4.49Å; V627-K662 HydrophobicContact CG2-CG 3.92Å; D630-K662 WeakPolarHBondContact OD2-CE 3.23Å; D630-K662 IonicContact OD2-NZ 3.46Å; D630-K662 PolarHBondContact OD2-NZ 2.87Å; K657-K662 PolarHBondContact O-N 3.29Å; F658-K662 HydrophobicContact CD2-CB 4.44Å; F658-K662 HydrophobicContact CD2-CD 3.83Å; F658-K662 HydrophobicContact CE2-CD 3.87Å; F658-K662 CarbonylContact O-C 3.6Å; F658-K662 WeakPolarHBondContact O-CA 3.44Å; F658-K662 WeakPolarHBondContact O-CB 3.49Å; F658-K662 PolarHBondContact O-N 2.79Å; K662-R664 VanDerWaalsContact C-N 3.3Å; K662-R664 PolarHBondContact O-N 2.83Å; K662-A665 PolarHBondContact O-N 2.78Å; K662-S666 WeakPolarHBondContact O-CB 3.48Å; K662-S666 PolarHBondContact O-N 2.96Å; K662-S666 PolarHBondContact O-OG 3.49Å
663C98.3Very high97.6Very high4 Ų414.5 Ų14.53%0.0279%0.094CC..Hα-helixtrans-63.3-35.1175.2-66.10000112.4F658 F659 G667 L668 F790 F792F658-C663 WeakPolarHBondContact CE1-SG 3.4Å; F658-C663 PolarHBondContact O-N 2.98Å; F658-C663 PolarHBondContact O-SG 3.08Å; F659-C663 WeakPolarHBondContact O-CB 3.2Å; C663-G667 WeakPolarHBondContact O-CA 3.49Å; C663-G667 PolarHBondContact O-N 3.39Å; C663-L668 WeakPolarHBondContact CA-O 3.29Å; C663-L668 WeakPolarHBondContact CB-O 3.31Å; C663-L668 PolarHBondContact SG-O 3.45Å; C663-F790 HydrophobicContact CB-CZ 4.23Å; C663-F792 HydrophobicContact CB-CE1 4.22Å
664R97.4Very high97.7Very high73 Ų7314.4 Ų14.428%0.2759%0.093SC..Hα-helixtrans-65.7-43.7173.6-67.8-168.7-176.1-86.95.5112.2N660 I661 K662 F792 Y794N660-R664 WeakPolarHBondContact O-CD 3.18Å; N660-R664 WeakPolarHBondContact O-CG 3.48Å; N660-R664 PolarHBondContact O-NE 3.18Å; I661-R664 PolarHBondContact O-N 3.01Å; K662-R664 VanDerWaalsContact C-N 3.3Å; K662-R664 PolarHBondContact O-N 2.83Å; R664-F792 HydrophobicContact CB-CE1 4.5Å; R664-F792 HydrophobicContact CG-CD1 3.97Å; R664-F792 HydrophobicContact CG-CE1 3.36Å; R664-F792 HydrophobicContact CG-CE2 4.29Å; R664-F792 HydrophobicContact CG-CZ 3.56Å; R664-F792 VanDerWaalsContact CZ-CG 3.43Å; R664-F792 VanDerWaalsContact NH2-CG 3.29Å; R664-Y794 PolarHBondContact NH2-O 3.31Å
665A97.6Very high97.8Very high29 Ų2914.4 Ų14.424%0.249%0.093CC..Hα-helixtrans-70.5-38.2-179.300000112.4L553 I661 K662L553-A665 HydrophobicContact CB-CB 4.39Å; L553-A665 HydrophobicContact CD2-CB 4.02Å; I661-A665 WeakPolarHBondContact O-CB 3.38Å; I661-A665 PolarHBondContact O-N 2.9Å; K662-A665 PolarHBondContact O-N 2.78Å
666S97.4Very high97.9Very high11 Ų1114.4 Ų14.48%0.0779%0.093CC..Hα-helixtrans-91.1-27.2-174.168.30000114.4V627 K631 K662 L668V627-S666 VanDerWaalsContact CG1-CB 3.47Å; K631-S666 VanDerWaalsContact CE-O 3.24Å; K631-S666 WeakPolarHBondContact CE-O 3.38Å; K631-S666 PolarHBondContact NZ-O 3.33Å; K662-S666 WeakPolarHBondContact O-CB 3.48Å; K662-S666 PolarHBondContact O-N 2.96Å; K662-S666 PolarHBondContact O-OG 3.49Å; S666-L668 PolarHBondContact O-N 2.98Å; S666-L668 WeakPolarHBondContact OG-CB 3.19Å; S666-L668 PolarHBondContact OG-N 2.64Å
667G97Very high97.9Very high61 Ų6114.4 Ų14.463%0.6299%0.093SC*.  trans76.8-2.3-165.500000114.2C663C663-G667 WeakPolarHBondContact O-CA 3.49Å; C663-G667 PolarHBondContact O-N 3.39Å
668L97.2Very high97.9Very high18 Ų1814.4 Ų14.49%0.0949%0.093CC..  trans-80.6141.7-178.6-59.5176.2000111.2Y349 D630 K631 L634 C663 S666Y349-L668 HydrophobicContact CD1-CB 4.09Å; Y349-L668 HydrophobicContact CE1-CB 3.82Å; Y349-L668 HydrophobicContact CE1-CD1 4.2Å; D630-L668 HydrophobicContact CB-CD1 4.04Å; K631-L668 HydrophobicContact CG-CD1 3.99Å; L634-L668 HydrophobicContact CD1-CD1 3.73Å; L634-L668 HydrophobicContact CD1-CD2 3.72Å; L634-L668 HydrophobicContact CD1-CG 4.31Å; C663-L668 WeakPolarHBondContact CA-O 3.29Å; C663-L668 WeakPolarHBondContact CB-O 3.31Å; C663-L668 PolarHBondContact SG-O 3.45Å; S666-L668 PolarHBondContact O-N 2.98Å; S666-L668 WeakPolarHBondContact OG-CB 3.19Å; S666-L668 PolarHBondContact OG-N 2.64Å
669V96.3Very high97.9Very high62 Ų6214.4 Ų14.438%0.3769%0.093SC..  trans-126.9126.8177.31760000108.7F790V669-F790 HydrophobicContact CG1-CB 3.43Å; V669-F790 VanDerWaalsContact CG1-CB 3.43Å; V669-F790 HydrophobicContact CG1-CD1 3.93Å; V669-F790 HydrophobicContact CG1-CD2 4.03Å; V669-F790 HydrophobicContact CG1-CG 3.51Å; V669-F790 HydrophobicContact CG2-CD1 3.77Å; V669-F790 HydrophobicContact CG2-CE1 4.16Å; V669-F790 HydrophobicContact CG2-CG 4.25Å
670P96.2Very high97.7Very high1 Ų115.9 Ų15.91%0.00610%0.099CC..  trans-73.5145.7178.225.2-26000112.1Y349 L351 F658 F659Y349-P670 HydrophobicContact CD1-CB 4.13Å; Y349-P670 CarbonylContact O-C 3.53Å; Y349-P670 VanDerWaalsContact O-CA 3.29Å; Y349-P670 WeakPolarHBondContact O-CA 3.25Å; Y349-P670 WeakPolarHBondContact O-CB 3.35Å; L351-P670 HydrophobicContact CB-CB 4.31Å; L351-P670 HydrophobicContact CB-CG 4.5Å; F658-P670 HydrophobicContact CE1-CG 3.92Å; F659-P670 HydrophobicContact CD1-CG 4.29Å; F659-P670 HydrophobicContact CE1-CG 3.48Å; F659-P670 VanDerWaalsContact CE1-CG 3.48Å; F659-P670 HydrophobicContact CZ-CG 4.34Å
671N97.5Very high97.7Very high39 Ų3915.9 Ų15.921%0.20910%0.099CC..SBendtrans-79.8-33.5174.6-59.492.5000111.6K348 Y349 P729 A784K348-N671 WeakPolarHBondContact CA-OD1 3.46Å; Y349-N671 PolarHBondContact N-OD1 3.06Å; Y349-N671 PolarHBondContact O-N 2.91Å; N671-P729 WeakPolarHBondContact O-CD 3.23Å; N671-A784 HydrophobicContact CB-CB 4.24Å
672V97.9Very high97.6Very high0 Ų015.6 Ų15.60%010%0.097CC..EExtended strand (participates in β ladder)trans-145.6143.4-175.5-176.30000110.3V350 L351 V731 V780 A783 A784V350-V672 WeakPolarHBondContact CA-O 2.83Å; L351-V672 PolarHBondContact N-O 3.5Å; V672-V731 HydrophobicContact CG1-CG2 4.13Å; V672-V780 HydrophobicContact CG1-CG1 4.48Å; V672-A783 HydrophobicContact CG1-CB 3.97Å; V672-A783 HydrophobicContact CG2-CB 3.71Å; V672-A784 HydrophobicContact CG2-CB 3.6Å
673V98.5Very high97.6Very high0 Ų015.7 Ų15.70%010%0.098CC..EExtended strand (participates in β ladder)trans-103.5133.5163.7176.30000109.8L351 M655 F659 L675 T723 V728 P729 V730 V731L351-V673 HydrophobicContact CB-CG2 4.46Å; L351-V673 HydrophobicContact CD2-CG2 4.47Å; L351-V673 CarbonylContact O-C 3.56Å; L351-V673 VanDerWaalsContact O-CA 3.28Å; L351-V673 WeakPolarHBondContact O-CA 2.9Å; M655-V673 HydrophobicContact SD-CG1 3.83Å; M655-V673 HydrophobicContact SD-CG2 4.16Å; F659-V673 HydrophobicContact CZ-CG2 3.77Å; V673-L675 HydrophobicContact CG1-CD2 4.14Å; V673-L675 HydrophobicContact CG1-CG 4.08Å; V673-T723 HydrophobicContact CB-CG2 3.8Å; V673-T723 HydrophobicContact CG1-CG2 4.04Å; V673-T723 HydrophobicContact CG2-CG2 3.75Å; V673-V728 HydrophobicContact CG2-CB 4.26Å; V673-V728 HydrophobicContact CG2-CG1 3.94Å; V673-P729 PolarHBondContact N-O 2.92Å; V673-V730 HydrophobicContact CB-CG2 4.32Å; V673-V730 HydrophobicContact CG1-CG2 4.24Å; V673-V730 CarbonylContact O-C 3.23Å; V673-V730 WeakPolarHBondContact O-CA 3.49Å; V673-V731 PolarHBondContact O-N 3.46Å
674V98.8Very high97.5Very high0 Ų016.2 Ų16.20%010%0.1CC..EExtended strand (participates in β ladder)trans-102.6117166.2177.80000108.5V350 L351 V352 A353 V367 L371 V731 A733 L776 V780V350-V674 HydrophobicContact CG1-CG2 3.89Å; L351-V674 PolarHBondContact O-N 3.41Å; V352-V674 WeakPolarHBondContact CA-O 3.16Å; V352-V674 HydrophobicContact CG2-CB 4.18Å; A353-V674 PolarHBondContact N-O 2.82Å; V367-V674 HydrophobicContact CG1-CG1 4.17Å; L371-V674 HydrophobicContact CD2-CG2 4.03Å; V674-V731 CarbonylContact C-O 3.56Å; V674-V731 VanDerWaalsContact CA-O 3.25Å; V674-V731 WeakPolarHBondContact CA-O 3.22Å; V674-A733 HydrophobicContact CG1-CB 3.64Å; V674-L776 HydrophobicContact CG1-CD1 4.28Å; V674-L776 HydrophobicContact CG1-CD2 4.41Å; V674-V780 HydrophobicContact CG2-CG2 3.57Å
675L98.6Very high97.5Very high0 Ų013 Ų130%09%0.088CC..EExtended strand (participates in β ladder)trans-98.7116.7175.5-76.9-178.7000110.7A353 A651 V673 Q719 I720 V730 V731 V732 A733A353-L675 HydrophobicContact CB-CD2 3.98Å; A651-L675 HydrophobicContact CB-CD2 3.71Å; V673-L675 HydrophobicContact CG1-CD2 4.14Å; V673-L675 HydrophobicContact CG1-CG 4.08Å; L675-Q719 HydrophobicContact CD1-CB 4.28Å; L675-I720 HydrophobicContact CD1-CB 4.47Å; L675-I720 HydrophobicContact CD1-CG1 3.82Å; L675-V730 HydrophobicContact CB-CG2 4.14Å; L675-V730 HydrophobicContact CD1-CG2 3.53Å; L675-V730 HydrophobicContact CG-CG2 3.58Å; L675-V731 PolarHBondContact N-O 2.9Å; L675-V732 HydrophobicContact CB-CG2 4.37Å; L675-V732 CarbonylContact O-C 3.52Å; L675-V732 WeakPolarHBondContact O-CA 3.35Å; L675-A733 PolarHBondContact O-N 3.35Å
676V98.5Very high97.5Very high0 Ų012.4 Ų12.40%08%0.084CC..EExtended strand (participates in β ladder)trans-87.5133-179.9-176.30000111.4V352 A353 G354 I355 E362 K364 V367 A733 N735V352-V676 HydrophobicContact CG1-CG2 3.72Å; A353-V676 WeakPolarHBondContact O-CG2 3.33Å; A353-V676 PolarHBondContact O-N 2.89Å; G354-V676 CarbonylContact C-O 3.58Å; G354-V676 VanDerWaalsContact CA-O 3.31Å; G354-V676 WeakPolarHBondContact CA-O 3.47Å; I355-V676 PolarHBondContact N-O 2.57Å; E362-V676 HydrophobicContact CB-CG1 4.23Å; E362-V676 WeakPolarHBondContact O-CG1 3.49Å; K364-V676 HydrophobicContact CG-CB 4.09Å; K364-V676 HydrophobicContact CG-CG2 4.29Å; V367-V676 HydrophobicContact CB-CG2 3.77Å; V367-V676 HydrophobicContact CG1-CG2 3.83Å; V367-V676 HydrophobicContact CG2-CB 4.46Å; V367-V676 HydrophobicContact CG2-CG1 3.78Å; V367-V676 HydrophobicContact CG2-CG2 3.79Å; V676-A733 WeakPolarHBondContact CA-O 3.47Å; V676-A733 HydrophobicContact CG2-CB 4.42Å; V676-N735 HydrophobicContact CG1-CB 4.37Å
677A98.3Very high97.4Very high0 Ų014.8 Ų14.80%011%0.111CC..EExtended strand (participates in β ladder)trans-137.9162.5171.500000110.7I355 L682 L716 A733 L734 N735I355-A677 HydrophobicContact CD1-CB 4.17Å; I355-A677 HydrophobicContact CG1-CB 4.49Å; I355-A677 HydrophobicContact CG2-CB 3.93Å; A677-L682 HydrophobicContact CB-CD1 4.42Å; A677-L716 HydrophobicContact CB-CD1 4.34Å; A677-A733 PolarHBondContact N-O 3.22Å; A677-L734 HydrophobicContact CB-CD1 4.5Å; A677-L734 WeakPolarHBondContact O-CA 3.42Å; A677-N735 PolarHBondContact O-N 2.92Å
678T98.1Very high97.2Very high0 Ų012.5 Ų12.50%09%0.087CC..  trans-133.6149.8170.6670000108.9E362 R680 A681 L682 N735 F737E362-T678 HydrophobicContact CB-CG2 4.47Å; E362-T678 WeakPolarHBondContact O-CG2 3.47Å; T678-R680 VanDerWaalsContact C-N 3.27Å; T678-R680 PolarHBondContact O-N 3.35Å; T678-A681 PolarHBondContact O-N 3.31Å; T678-A681 WeakPolarHBondContact OG1-CB 3.48Å; T678-A681 PolarHBondContact OG1-N 2.77Å; T678-A681 VanDerWaalsContact OG1-N 3.14Å; T678-L682 WeakPolarHBondContact O-CG 3.49Å; T678-L682 PolarHBondContact O-N 3.17Å; T678-N735 HydrophobicContact CG2-CB 4.03Å; T678-F737 HydrophobicContact CG2-CD2 4.28Å; T678-F737 HydrophobicContact CG2-CE2 3.67Å
679V98Very high97Very high0 Ų013 Ų130%09%0.091CC..Hα-helixtrans-57-44.8177.6171.70000110.6A681 L682 K683 V709 L734 D740 E744V679-A681 PolarHBondContact O-N 3.44Å; V679-L682 PolarHBondContact O-N 3.18Å; V679-K683 HydrophobicContact CG1-CD 4.26Å; V679-K683 HydrophobicContact CG1-CG 4.47Å; V679-K683 WeakPolarHBondContact O-CG 3.28Å; V679-K683 PolarHBondContact O-N 2.82Å; V679-V709 HydrophobicContact CG1-CG2 3.72Å; V679-L734 HydrophobicContact CG2-CD1 4.25Å; V679-L734 HydrophobicContact CG2-CD2 4.38Å; V679-D740 HydrophobicContact CB-CB 4.32Å; V679-D740 HydrophobicContact CG2-CB 4.03Å; V679-E744 HydrophobicContact CG1-CB 3.95Å; V679-E744 HydrophobicContact CG1-CG 4.32Å; V679-E744 HydrophobicContact CG2-CB 4.21Å
680R95.9Very high96.6Very high30 Ų3014.2 Ų14.211%0.11310%0.103CC..Hα-helixtrans-64.7-40.4-178.6-62.4-175.7-67.2152.610.1113L360 T678 K683 M684 Y701L360-R680 HydrophobicContact CD1-CB 4.09Å; L360-R680 WeakPolarHBondContact CD1-O 3.48Å; T678-R680 VanDerWaalsContact C-N 3.27Å; T678-R680 PolarHBondContact O-N 3.35Å; R680-K683 PolarHBondContact O-N 3.21Å; R680-M684 PolarHBondContact O-N 3.3Å; R680-M684 VanDerWaalsContact O-N 3.16Å; R680-Y701 HydrophobicContact CB-CD1 4.4Å; R680-Y701 VanDerWaalsContact CD-O 3.27Å; R680-Y701 WeakPolarHBondContact CD-O 3.41Å; R680-Y701 WeakPolarHBondContact CG-O 3.29Å
681A96.3Very high96.1Very high0 Ų015.6 Ų15.60%011%0.111CC..Hα-helixtrans-65-40.8174.500000111.3I355 T358 E362 T678 V679 M684 H685I355-A681 HydrophobicContact CD1-CB 3.8Å; T358-A681 HydrophobicContact CG2-CB 3.9Å; T358-A681 WeakPolarHBondContact OG1-CB 3.27Å; E362-A681 HydrophobicContact CG-CB 4.44Å; T678-A681 PolarHBondContact O-N 3.31Å; T678-A681 WeakPolarHBondContact OG1-CB 3.48Å; T678-A681 PolarHBondContact OG1-N 2.77Å; T678-A681 VanDerWaalsContact OG1-N 3.14Å; V679-A681 PolarHBondContact O-N 3.44Å; A681-M684 WeakPolarHBondContact O-CB 3.22Å; A681-M684 PolarHBondContact O-N 3.47Å; A681-H685 PolarHBondContact O-CD2 3.23Å; A681-H685 VanDerWaalsContact O-CD2 3.28Å; A681-H685 PolarHBondContact O-N 3.3Å
682L98.1Very high95.2Very high0 Ų018.1 Ų18.10%013%0.128CC..Hα-helixtrans-62.6-43.7175.2-65.7172.7000111.5I355 A677 T678 V679 M684 H685 G686 G712 L716 V748I355-L682 HydrophobicContact CD1-CD2 3.94Å; I355-L682 HydrophobicContact CD1-CG 4.36Å; A677-L682 HydrophobicContact CB-CD1 4.42Å; T678-L682 WeakPolarHBondContact O-CG 3.49Å; T678-L682 PolarHBondContact O-N 3.17Å; V679-L682 PolarHBondContact O-N 3.18Å; L682-M684 PolarHBondContact O-N 3.46Å; L682-H685 CarbonylContact O-C 3.55Å; L682-H685 WeakPolarHBondContact O-CA 3.38Å; L682-H685 WeakPolarHBondContact O-CB 3.48Å; L682-H685 PolarHBondContact O-N 3.43Å; L682-G686 PolarHBondContact O-N 3.33Å; L682-G712 WeakPolarHBondContact O-CA 3.35Å; L682-L716 HydrophobicContact CD1-CD2 4.49Å; L682-L716 HydrophobicContact CD2-CB 3.96Å; L682-V748 HydrophobicContact CD1-CB 4.29Å; L682-V748 HydrophobicContact CD1-CG1 3.66Å; L682-V748 HydrophobicContact CD1-CG2 3.55Å
683K97.7Very high94Very high1 Ų122.8 Ų22.80%0.00417%0.167CC..Hα-helixtrans-55.4-39.6173.8-70.1176.3176.5174.50112.8V679 R680 H685 G686 G688 E700 Y701 E703 L708 V709 E744V679-K683 HydrophobicContact CG1-CD 4.26Å; V679-K683 HydrophobicContact CG1-CG 4.47Å; V679-K683 WeakPolarHBondContact O-CG 3.28Å; V679-K683 PolarHBondContact O-N 2.82Å; R680-K683 PolarHBondContact O-N 3.21Å; K683-H685 VanDerWaalsContact C-N 3.35Å; K683-G686 PolarHBondContact O-N 3.39Å; K683-G688 WeakPolarHBondContact O-CA 3.03Å; K683-G688 PolarHBondContact O-N 2.97Å; K683-E700 WeakPolarHBondContact CD-O 3.28Å; K683-E700 PolarHBondContact NZ-O 2.95Å; K683-Y701 HydrophobicContact CB-CD1 4.12Å; K683-Y701 HydrophobicContact CB-CE1 4.01Å; K683-E703 PolarHBondContact NZ-O 3.27Å; K683-L708 HydrophobicContact CB-CB 4.06Å; K683-L708 HydrophobicContact CB-CD1 4.5Å; K683-L708 HydrophobicContact CG-CB 3.99Å; K683-V709 HydrophobicContact CD-CG2 4.25Å; K683-V709 HydrophobicContact CG-CG2 3.58Å; K683-E744 WeakPolarHBondContact CE-OE1 3.41Å; K683-E744 IonicContact NZ-OE1 3.6Å; K683-E744 PolarHBondContact NZ-OE1 3.46Å; K683-E744 IonicContact NZ-OE2 2.66Å; K683-E744 PolarHBondContact NZ-OE2 2.84Å
684M96.3Very high92.6Very high15 Ų1527 Ų277%0.07421%0.211CC..Hα-helixtrans-66-39.6174.8-169-178-170.200111.3T358 P359 L360 R680 A681 L682 G686 G687 Y701T358-M684 HydrophobicContact CG2-CB 4.33Å; T358-M684 HydrophobicContact CG2-SD 3.89Å; P359-M684 HydrophobicContact CG-CE 4.36Å; L360-M684 HydrophobicContact CD1-CB 4.21Å; R680-M684 PolarHBondContact O-N 3.3Å; R680-M684 VanDerWaalsContact O-N 3.16Å; A681-M684 WeakPolarHBondContact O-CB 3.22Å; A681-M684 PolarHBondContact O-N 3.47Å; L682-M684 PolarHBondContact O-N 3.46Å; M684-G686 PolarHBondContact O-N 3.16Å; M684-G687 PolarHBondContact O-N 3.38Å; M684-Y701 HydrophobicContact CB-CE1 4Å; M684-Y701 WeakPolarHBondContact CG-OH 3.38Å
685H97.5Very high91.8Very high7 Ų731.4 Ų31.43%0.03224%0.237CC..Hα-helixtrans-64.6-27.7173.2-81.3-75.9000113.8T356 A681 L682 K683 G687 N715 G857T356-H685 PolarHBondContact O-NE2 3.19Å; T356-H685 VanDerWaalsContact O-NE2 3.08Å; A681-H685 PolarHBondContact O-CD2 3.23Å; A681-H685 VanDerWaalsContact O-CD2 3.28Å; A681-H685 PolarHBondContact O-N 3.3Å; L682-H685 CarbonylContact O-C 3.55Å; L682-H685 WeakPolarHBondContact O-CA 3.38Å; L682-H685 WeakPolarHBondContact O-CB 3.48Å; L682-H685 PolarHBondContact O-N 3.43Å; K683-H685 VanDerWaalsContact C-N 3.35Å; H685-G687 VanDerWaalsContact C-N 3.27Å; H685-G687 PolarHBondContact O-N 3.32Å; H685-N715 HydrophobicContact CB-CB 4.1Å; H685-G857 PolarHBondContact ND1-N 3.01Å; H685-G857 VanDerWaalsContact ND1-N 3.15Å; H685-G857 PolarHBondContact O-N 2.84Å
686G96.9Very high91.3Very high15 Ų1536.8 Ų36.816%0.15527%0.272CS..THydrogen-bonded Turntrans-81.97.1175.700000115.2L682 K683 M684 L708 G712L682-G686 PolarHBondContact O-N 3.33Å; K683-G686 PolarHBondContact O-N 3.39Å; M684-G686 PolarHBondContact O-N 3.16Å; G686-L708 WeakPolarHBondContact CA-O 3.35Å; G686-L708 VanDerWaalsContact O-CD2 3.29Å; G686-L708 WeakPolarHBondContact O-CD2 3.47Å; G686-G712 VanDerWaalsContact N-CA 3.34Å
687G95.6Very high90.8Very high62 Ų6239.8 Ų39.864%0.63929%0.288SS*.THydrogen-bonded Turntrans100.514.5179.900000114.5M684 H685M684-G687 PolarHBondContact O-N 3.38Å; H685-G687 VanDerWaalsContact C-N 3.27Å; H685-G687 PolarHBondContact O-N 3.32Å
688G93.9Very high90.6Very high13 Ų1344.7 Ų44.713%0.13431%0.309CS..PPolyproline II helixtrans-56.5154.7171.400000112.8K683 Y701K683-G688 WeakPolarHBondContact O-CA 3.03Å; K683-G688 PolarHBondContact O-N 2.97Å; G688-Y701 WeakPolarHBondContact CA-OH 3.3Å; G688-Y701 PolarHBondContact O-OH 3.46Å
689P92.3Very high90.4Very high27 Ų2751.3 Ų51.318%0.17534%0.338CS..PPolyproline II helixtrans-64.4152.9-17423-31000113K698 E700 Y701P689-K698 HydrophobicContact CB-CD 3.61Å; P689-K698 HydrophobicContact CB-CG 4.49Å; P689-K698 HydrophobicContact CG-CB 3.97Å; P689-K698 HydrophobicContact CG-CD 3.61Å; P689-K698 HydrophobicContact CG-CG 4.1Å; P689-E700 HydrophobicContact CG-CB 4.34Å; P689-E700 HydrophobicContact CG-CG 4.29Å; P689-Y701 HydrophobicContact CG-CE2 3.79Å; P689-Y701 VanDerWaalsContact O-CE2 3.29Å; P689-Y701 WeakPolarHBondContact O-CE2 3.47Å; P689-Y701 PolarHBondContact O-OH 2.88Å
690S87.8Confident90.2Very high89 Ų8954.9 Ų54.962%0.62235%0.354SS*.PPolyproline II helixtrans-58145.1177.156.10000112.7
691V85.4Confident90.1Very high30 Ų3053.4 Ų53.418%0.18235%0.349CS..  trans-116.8127.3-178.3179.20000108.9P359 L360 L697 Y701P359-V691 HydrophobicContact CB-CB 4.45Å; P359-V691 HydrophobicContact CB-CG1 4.44Å; L360-V691 HydrophobicContact CD1-CG2 4.27Å; L360-V691 HydrophobicContact CD2-CG1 4.1Å; L360-V691 HydrophobicContact CD2-CG2 4.01Å; L360-V691 HydrophobicContact CG-CG2 4.12Å; V691-L697 HydrophobicContact CG1-CD2 3.96Å; V691-Y701 HydrophobicContact CG2-CD2 4.14Å; V691-Y701 HydrophobicContact CG2-CE2 3.49Å; V691-Y701 VanDerWaalsContact CG2-CE2 3.49Å
692T79.8Confident89.9Confident91 Ų9156.2 Ų56.256%0.55837%0.366SS*.  trans-114.5131.4176.2-55.90000109G694 V695T692-G694 PolarHBondContact O-N 3.37Å; T692-V695 HydrophobicContact CG2-CG2 4.24Å; T692-V695 PolarHBondContact O-N 3.22Å; T692-V695 VanDerWaalsContact O-N 3.16Å
693A71.1Confident89.7Confident99 Ų9961 Ų6182%0.81839%0.389SS*.THydrogen-bonded Turntrans-56.8135.3177.900000111.2V695A693-V695 VanDerWaalsContact C-N 3.31Å; A693-V695 PolarHBondContact O-N 3.01Å
694G70.1Confident89.7Confident89 Ų8966.1 Ų66.192%0.91841%0.412SS*.THydrogen-bonded Turntrans84.8-6.9-178.200000115.4T692T692-G694 PolarHBondContact O-N 3.37Å
695V82Confident89.8Confident91 Ų9167.7 Ų67.755%0.55242%0.421SS*.SBendtrans-96.9138.2174.7-177.10000109.7T692 A693 L697T692-V695 HydrophobicContact CG2-CG2 4.24Å; T692-V695 PolarHBondContact O-N 3.22Å; T692-V695 VanDerWaalsContact O-N 3.16Å; A693-V695 VanDerWaalsContact C-N 3.31Å; A693-V695 PolarHBondContact O-N 3.01Å; V695-L697 PolarHBondContact O-N 3.42Å
696P87.6Confident89.8Confident113 Ų11370.3 Ų70.373%0.73444%0.435SS*.PPolyproline II helixtrans-52.7140.4173.9-27.335.2000112.5
697L89.3Confident89.9Confident64 Ų6475.2 Ų75.234%0.33545%0.454SS..PPolyproline II helixtrans-63.9138.7177.6-65.8-179.8000110.6L360 V691 V695 T702L360-L697 HydrophobicContact CD2-CD1 4.25Å; L360-L697 HydrophobicContact CD2-CD2 3.46Å; L360-L697 VanDerWaalsContact CD2-CD2 3.46Å; V691-L697 HydrophobicContact CG1-CD2 3.96Å; V695-L697 PolarHBondContact O-N 3.42Å; L697-T702 HydrophobicContact CB-CG2 4.08Å
698K92.1Very high90Very high102 Ų10273.4 Ų73.444%0.44343%0.429SS..PPolyproline II helixtrans-71157174.5-48.9-157.6-162.4174.70110.8P689 E700 Y701P689-K698 HydrophobicContact CB-CD 3.61Å; P689-K698 HydrophobicContact CB-CG 4.49Å; P689-K698 HydrophobicContact CG-CB 3.97Å; P689-K698 HydrophobicContact CG-CD 3.61Å; P689-K698 HydrophobicContact CG-CG 4.1Å; K698-E700 WeakPolarHBondContact CB-OE2 3.43Å; K698-E700 PolarHBondContact O-N 3.39Å; K698-E700 VanDerWaalsContact O-N 3.15Å; K698-Y701 HydrophobicContact CB-CD2 4.5Å; K698-Y701 PolarHBondContact O-N 2.89Å
699K94Very high90.2Very high140 Ų14072.8 Ų72.861%0.60942%0.423SS*.G310 helixtrans-57-33.4-172.7-71.5-173.3168.9-157.90113.4Y701 T702 E703K699-Y701 PolarHBondContact O-N 2.85Å; K699-T702 WeakPolarHBondContact CA-OG1 3.35Å; K699-T702 PolarHBondContact O-N 3.46Å; K699-T702 PolarHBondContact O-OG1 3Å; K699-E703 WeakPolarHBondContact CD-OE1 3.29Å; K699-E703 IonicContact NZ-OE1 3.81Å; K699-E703 WeakPolarHBondContact O-CB 3.32Å; K699-E703 PolarHBondContact O-N 2.96Å
700E94Very high90.4Very high74 Ų7473.2 Ų73.235%0.34643%0.429SS..G310 helixtrans-55.3-28.1177.1-60.885.4164.900112.2K683 P689 K698 L708K683-E700 WeakPolarHBondContact CD-O 3.28Å; K683-E700 PolarHBondContact NZ-O 2.95Å; P689-E700 HydrophobicContact CG-CB 4.34Å; P689-E700 HydrophobicContact CG-CG 4.29Å; K698-E700 WeakPolarHBondContact CB-OE2 3.43Å; K698-E700 PolarHBondContact O-N 3.39Å; K698-E700 VanDerWaalsContact O-N 3.15Å; E700-L708 HydrophobicContact CB-CD1 4.05Å; E700-L708 HydrophobicContact CG-CD1 4.37Å
701Y93.8Very high90.9Very high0 Ų072.6 Ų72.60%042%0.418CS..G310 helixtrans-94.4-12.2178.4-61-62.4000114.5L360 R680 K683 M684 G688 P689 V691 K698 K699L360-Y701 HydrophobicContact CD1-CD1 3.81Å; L360-Y701 HydrophobicContact CD1-CE1 3.68Å; L360-Y701 HydrophobicContact CD1-CG 4.4Å; R680-Y701 HydrophobicContact CB-CD1 4.4Å; R680-Y701 VanDerWaalsContact CD-O 3.27Å; R680-Y701 WeakPolarHBondContact CD-O 3.41Å; R680-Y701 WeakPolarHBondContact CG-O 3.29Å; K683-Y701 HydrophobicContact CB-CD1 4.12Å; K683-Y701 HydrophobicContact CB-CE1 4.01Å; M684-Y701 HydrophobicContact CB-CE1 4Å; M684-Y701 WeakPolarHBondContact CG-OH 3.38Å; G688-Y701 WeakPolarHBondContact CA-OH 3.3Å; G688-Y701 PolarHBondContact O-OH 3.46Å; P689-Y701 HydrophobicContact CG-CE2 3.79Å; P689-Y701 VanDerWaalsContact O-CE2 3.29Å; P689-Y701 WeakPolarHBondContact O-CE2 3.47Å; P689-Y701 PolarHBondContact O-OH 2.88Å; V691-Y701 HydrophobicContact CG2-CD2 4.14Å; V691-Y701 HydrophobicContact CG2-CE2 3.49Å; V691-Y701 VanDerWaalsContact CG2-CE2 3.49Å; K698-Y701 HydrophobicContact CB-CD2 4.5Å; K698-Y701 PolarHBondContact O-N 2.89Å; K699-Y701 PolarHBondContact O-N 2.85Å
702T92.9Very high91.5Very high58 Ų5871.2 Ų71.236%0.35641%0.41SS..THydrogen-bonded Turntrans-113-18.6-176.859.60000113.5L697 K699L697-T702 HydrophobicContact CB-CG2 4.08Å; K699-T702 WeakPolarHBondContact CA-OG1 3.35Å; K699-T702 PolarHBondContact O-N 3.46Å; K699-T702 PolarHBondContact O-OG1 3Å
703E94.8Very high92.4Very high102 Ų10267.2 Ų67.248%0.47739%0.386SS..SBendtrans-110.4163.4176.3-61.8175.6-170.600109.9K683 K699 N705K683-E703 PolarHBondContact NZ-O 3.27Å; K699-E703 WeakPolarHBondContact CD-OE1 3.29Å; K699-E703 IonicContact NZ-OE1 3.81Å; K699-E703 WeakPolarHBondContact O-CB 3.32Å; K699-E703 PolarHBondContact O-N 2.96Å; E703-N705 PolarHBondContact O-N 3.48Å
704E97.8Very high93.7Very high107 Ų10764.7 Ų64.750%0.536%0.361SS..  trans-63.9132178.7-170.5173.990.700111.4I706 T741 E744E704-I706 HydrophobicContact CG-CD1 4.49Å; E704-I706 HydrophobicContact CG-CG1 4.16Å; E704-T741 HydrophobicContact CB-CG2 3.76Å; E704-T741 HydrophobicContact CG-CG2 3.98Å; E704-T741 WeakPolarHBondContact OE2-CB 3.34Å; E704-T741 WeakPolarHBondContact OE2-CG2 3.49Å; E704-T741 PolarHBondContact OE2-OG1 3Å; E704-E744 WeakPolarHBondContact CA-OE1 3.47Å; E704-E744 HydrophobicContact CG-CG 4.05Å
705N97.4Very high95Very high48 Ų4860.4 Ų60.426%0.25732%0.318SS..  trans-14985.6170.3-165.9-38.2000110.9E703 Q707 L708 V709 E744E703-N705 PolarHBondContact O-N 3.48Å; N705-Q707 VanDerWaalsContact C-N 3.28Å; N705-Q707 PolarHBondContact O-N 3.43Å; N705-Q707 PolarHBondContact OD1-N 3.43Å; N705-L708 HydrophobicContact CB-CB 4.33Å; N705-L708 HydrophobicContact CB-CD1 4.24Å; N705-L708 HydrophobicContact CB-CG 4.44Å; N705-L708 WeakPolarHBondContact ND2-CD1 3.26Å; N705-L708 PolarHBondContact O-N 3.5Å; N705-L708 WeakPolarHBondContact OD1-CG 3.31Å; N705-L708 PolarHBondContact OD1-N 2.89Å; N705-V709 WeakPolarHBondContact O-CG2 3.32Å; N705-V709 PolarHBondContact O-N 3.21Å; N705-E744 PolarHBondContact N-OE1 3.11Å
706I97.9Very high95.8Very high63 Ų6356.2 Ų56.232%0.32329%0.292SS..Hα-helixtrans-58.4-37.3-179.8-67.6-66000112.7E704 V709 A710 A743 E744 L747E704-I706 HydrophobicContact CG-CD1 4.49Å; E704-I706 HydrophobicContact CG-CG1 4.16Å; I706-V709 PolarHBondContact O-N 3.12Å; I706-A710 WeakPolarHBondContact O-CB 3.4Å; I706-A710 PolarHBondContact O-N 3.35Å; I706-A743 HydrophobicContact CD1-CB 3.81Å; I706-E744 HydrophobicContact CD1-CB 4.41Å; I706-E744 HydrophobicContact CD1-CG 3.71Å; I706-L747 HydrophobicContact CD1-CD2 4.42Å; I706-L747 HydrophobicContact CG2-CD2 3.76Å
707Q97.8Very high96.3Very high117 Ų11755 Ų5555%0.54728%0.277SS..Hα-helixtrans-65.8-48.9-178.5-174.859.749.300111.5N705 V709 A710 D711N705-Q707 VanDerWaalsContact C-N 3.28Å; N705-Q707 PolarHBondContact O-N 3.43Å; N705-Q707 PolarHBondContact OD1-N 3.43Å; Q707-V709 VanDerWaalsContact C-N 3.26Å; Q707-V709 PolarHBondContact O-N 2.9Å; Q707-A710 PolarHBondContact O-N 2.86Å; Q707-D711 PolarHBondContact NE2-OD1 2.86Å; Q707-D711 PolarHBondContact NE2-OD2 3.35Å; Q707-D711 WeakPolarHBondContact O-CB 2.99Å; Q707-D711 VanDerWaalsContact O-CG 3.31Å; Q707-D711 PolarHBondContact O-N 2.92Å
708L97.7Very high96.8Very high25 Ų2553.4 Ų53.413%0.13127%0.267CS..Hα-helixtrans-61.8-35.8177.1-72.6-179.2000112.2K683 G686 E700 N705 G712K683-L708 HydrophobicContact CB-CB 4.06Å; K683-L708 HydrophobicContact CB-CD1 4.5Å; K683-L708 HydrophobicContact CG-CB 3.99Å; G686-L708 WeakPolarHBondContact CA-O 3.35Å; G686-L708 VanDerWaalsContact O-CD2 3.29Å; G686-L708 WeakPolarHBondContact O-CD2 3.47Å; E700-L708 HydrophobicContact CB-CD1 4.05Å; E700-L708 HydrophobicContact CG-CD1 4.37Å; N705-L708 HydrophobicContact CB-CB 4.33Å; N705-L708 HydrophobicContact CB-CD1 4.24Å; N705-L708 HydrophobicContact CB-CG 4.44Å; N705-L708 WeakPolarHBondContact ND2-CD1 3.26Å; N705-L708 PolarHBondContact O-N 3.5Å; N705-L708 WeakPolarHBondContact OD1-CG 3.31Å; N705-L708 PolarHBondContact OD1-N 2.89Å; L708-G712 PolarHBondContact O-N 2.88Å
709V98Very high97Very high0 Ų048.5 Ų48.50%025%0.246CC..Hα-helixtrans-64.4-49.9174.4174.10000110.5V679 K683 N705 I706 Q707 D711 G712 C713 E744 L747 V748V679-V709 HydrophobicContact CG1-CG2 3.72Å; K683-V709 HydrophobicContact CD-CG2 4.25Å; K683-V709 HydrophobicContact CG-CG2 3.58Å; N705-V709 WeakPolarHBondContact O-CG2 3.32Å; N705-V709 PolarHBondContact O-N 3.21Å; I706-V709 PolarHBondContact O-N 3.12Å; Q707-V709 VanDerWaalsContact C-N 3.26Å; Q707-V709 PolarHBondContact O-N 2.9Å; V709-D711 PolarHBondContact O-N 2.87Å; V709-G712 PolarHBondContact O-N 3.13Å; V709-C713 PolarHBondContact O-N 2.86Å; V709-C713 PolarHBondContact O-SG 3.16Å; V709-C713 VanDerWaalsContact O-SG 3.34Å; V709-E744 HydrophobicContact CG2-CB 4.41Å; V709-E744 HydrophobicContact CG2-CG 4.15Å; V709-L747 HydrophobicContact CB-CD2 4.49Å; V709-L747 HydrophobicContact CG1-CD2 4.17Å; V709-V748 HydrophobicContact CG1-CG2 3.37Å
710A98.2Very high97.3Very high36 Ų3641.9 Ų41.930%0.29822%0.217SC..Hα-helixtrans-57.5-48178.800000111.9I706 Q707 G712 C713 L747I706-A710 WeakPolarHBondContact O-CB 3.4Å; I706-A710 PolarHBondContact O-N 3.35Å; Q707-A710 PolarHBondContact O-N 2.86Å; A710-G712 VanDerWaalsContact C-N 3.3Å; A710-G712 PolarHBondContact O-N 2.91Å; A710-C713 WeakPolarHBondContact O-CB 3.29Å; A710-C713 PolarHBondContact O-N 3.29Å; A710-L747 HydrophobicContact CB-CD2 4.14Å
711D97.9Very high97.4Very high76 Ų7642 Ų4241%0.40622%0.218SC..Hα-helixtrans-65.3-35.8179.1-67.2-26.6000111.5Q707 V709 C714Q707-D711 PolarHBondContact NE2-OD1 2.86Å; Q707-D711 PolarHBondContact NE2-OD2 3.35Å; Q707-D711 WeakPolarHBondContact O-CB 2.99Å; Q707-D711 VanDerWaalsContact O-CG 3.31Å; Q707-D711 PolarHBondContact O-N 2.92Å; V709-D711 PolarHBondContact O-N 2.87Å; D711-C714 PolarHBondContact O-SG 3.49Å
712G97.6Very high97.6Very high0 Ų042 Ų420%022%0.218CC..Hα-helixtrans-70.1-29.617700000115.2L682 G686 L708 V709 A710 C714 N715L682-G712 WeakPolarHBondContact O-CA 3.35Å; G686-G712 VanDerWaalsContact N-CA 3.34Å; L708-G712 PolarHBondContact O-N 2.88Å; V709-G712 PolarHBondContact O-N 3.13Å; A710-G712 VanDerWaalsContact C-N 3.3Å; A710-G712 PolarHBondContact O-N 2.91Å; G712-C714 PolarHBondContact O-N 3.19Å; G712-N715 PolarHBondContact O-N 3Å
713C98.3Very high97.8Very high8 Ų839.3 Ų39.35%0.05420%0.201CC..Hα-helixtrans-60.4-14.7179-80.10000113.4V709 A710 N715 L716 Q717 L751V709-C713 PolarHBondContact O-N 2.86Å; V709-C713 PolarHBondContact O-SG 3.16Å; V709-C713 VanDerWaalsContact O-SG 3.34Å; A710-C713 WeakPolarHBondContact O-CB 3.29Å; A710-C713 PolarHBondContact O-N 3.29Å; C713-N715 PolarHBondContact O-N 3.26Å; C713-L716 PolarHBondContact O-N 3.49Å; C713-Q717 WeakPolarHBondContact O-CB 3.47Å; C713-Q717 PolarHBondContact O-N 3.47Å; C713-L751 HydrophobicContact CB-CB 4.31Å; C713-L751 HydrophobicContact CB-CD1 3.66Å
714C98.1Very high97.8Very high45 Ų4538.4 Ų38.430%0.30420%0.196SC..Hα-helixtrans-57.3-36.3169.671.80000112.4D711 G712 K718 V858D711-C714 PolarHBondContact O-SG 3.49Å; G712-C714 PolarHBondContact O-N 3.19Å; C714-K718 PolarHBondContact O-N 2.98Å; C714-V858 HydrophobicContact CB-CG2 4.17Å; C714-V858 WeakPolarHBondContact O-CG2 3.34Å
715N98.4Very high97.8Very high0 Ų036.2 Ų36.20%019%0.188CC..Hα-helixtrans-68.2-47.8176.7-174.4-88.8000110.8T356 H685 G712 C713 Q717 K718 Q719 G857T356-N715 PolarHBondContact N-OD1 3.27Å; T356-N715 PolarHBondContact OG1-ND2 2.97Å; H685-N715 HydrophobicContact CB-CB 4.1Å; G712-N715 PolarHBondContact O-N 3Å; C713-N715 PolarHBondContact O-N 3.26Å; N715-Q717 VanDerWaalsContact C-N 3.31Å; N715-Q717 PolarHBondContact O-N 3.4Å; N715-K718 PolarHBondContact O-N 2.95Å; N715-K718 VanDerWaalsContact O-N 3.14Å; N715-Q719 VanDerWaalsContact O-CG 3.22Å; N715-Q719 WeakPolarHBondContact O-CG 3.49Å; N715-Q719 PolarHBondContact O-N 3.38Å; N715-G857 PolarHBondContact ND2-O 3.35Å
716L98.4Very high97.7Very high2 Ų233.9 Ų33.91%0.0118%0.176CC..Hα-helixtrans-56.7-45.4175.3175.658.9000111.6I355 A677 L682 C713 K718 Q719 I720 V732 V748 A752I355-L716 HydrophobicContact CG2-CB 4.19Å; I355-L716 HydrophobicContact CG2-CD1 3.72Å; A677-L716 HydrophobicContact CB-CD1 4.34Å; L682-L716 HydrophobicContact CD1-CD2 4.49Å; L682-L716 HydrophobicContact CD2-CB 3.96Å; C713-L716 PolarHBondContact O-N 3.49Å; L716-K718 VanDerWaalsContact C-N 3.34Å; L716-K718 PolarHBondContact O-N 3.47Å; L716-Q719 PolarHBondContact O-N 3.09Å; L716-Q719 VanDerWaalsContact O-N 3.16Å; L716-I720 HydrophobicContact CD1-CD1 4.14Å; L716-I720 HydrophobicContact CD1-CG1 4.35Å; L716-I720 HydrophobicContact CG-CD1 4.01Å; L716-I720 WeakPolarHBondContact O-CG1 3.3Å; L716-I720 PolarHBondContact O-N 3.31Å; L716-V732 HydrophobicContact CD1-CG1 4.21Å; L716-V732 HydrophobicContact CD1-CG2 4.19Å; L716-V732 HydrophobicContact CD2-CG1 4.36Å; L716-V748 HydrophobicContact CD2-CG1 3.94Å; L716-A752 HydrophobicContact CD2-CB 4.11Å
717Q98.5Very high97.6Very high89 Ų8932.1 Ų32.142%0.41617%0.172SC..Hα-helixtrans-58.1-45.5176179.6177.727.700111.6C713 N715 Q719 I720 Q721 A755C713-Q717 WeakPolarHBondContact O-CB 3.47Å; C713-Q717 PolarHBondContact O-N 3.47Å; N715-Q717 VanDerWaalsContact C-N 3.31Å; N715-Q717 PolarHBondContact O-N 3.4Å; Q717-Q719 VanDerWaalsContact C-N 3.3Å; Q717-Q719 PolarHBondContact O-N 2.81Å; Q717-I720 PolarHBondContact O-N 3.37Å; Q717-Q721 VanDerWaalsContact O-CG 3.3Å; Q717-Q721 WeakPolarHBondContact O-CG 3.25Å; Q717-Q721 PolarHBondContact O-N 3.14Å; Q717-A755 HydrophobicContact CB-CB 4.08Å; Q717-A755 HydrophobicContact CG-CB 3.77Å
718K98.3Very high97.5Very high29 Ų2926.8 Ų26.813%0.12615%0.148CC..Hα-helixtrans-63-36.9177.1-179.657.9-177173.70112.1C714 N715 L716 Q721 I722 A810 V811 L849 V858C714-K718 PolarHBondContact O-N 2.98Å; N715-K718 PolarHBondContact O-N 2.95Å; N715-K718 VanDerWaalsContact O-N 3.14Å; L716-K718 VanDerWaalsContact C-N 3.34Å; L716-K718 PolarHBondContact O-N 3.47Å; K718-Q721 WeakPolarHBondContact O-CB 3.46Å; K718-Q721 PolarHBondContact O-N 3.03Å; K718-I722 HydrophobicContact CD-CG1 4.47Å; K718-I722 HydrophobicContact CG-CD1 4.2Å; K718-I722 VanDerWaalsContact O-CG1 3.26Å; K718-I722 WeakPolarHBondContact O-CG1 3.44Å; K718-I722 PolarHBondContact O-N 2.8Å; K718-A810 PolarHBondContact NZ-O 3.24Å; K718-V811 WeakPolarHBondContact CE-O 3.35Å; K718-V811 PolarHBondContact NZ-O 3.44Å; K718-L849 HydrophobicContact CB-CD1 4.44Å; K718-L849 HydrophobicContact CG-CD1 3.78Å; K718-V858 HydrophobicContact CB-CG1 4.48Å; K718-V858 HydrophobicContact CB-CG2 3.74Å; K718-V858 HydrophobicContact CG-CG1 4.29Å; K718-V858 HydrophobicContact CG-CG2 4.34Å
719Q98.2Very high97.5Very high0 Ų026.8 Ų26.80%015%0.15CC..Hα-helixtrans-70.2-36.6178.5-62-75.62.100112.1I355 T356 A651 D652 L675 N715 L716 Q717 I722 T723I355-Q719 HydrophobicContact CB-CG 4.5Å; I355-Q719 HydrophobicContact CG2-CG 4.49Å; T356-Q719 PolarHBondContact OG1-NE2 3.39Å; A651-Q719 HydrophobicContact CB-CB 4.37Å; D652-Q719 VanDerWaalsContact N-OE1 3.1Å; D652-Q719 PolarHBondContact OD1-NE2 2.78Å; L675-Q719 HydrophobicContact CD1-CB 4.28Å; N715-Q719 VanDerWaalsContact O-CG 3.22Å; N715-Q719 WeakPolarHBondContact O-CG 3.49Å; N715-Q719 PolarHBondContact O-N 3.38Å; L716-Q719 PolarHBondContact O-N 3.09Å; L716-Q719 VanDerWaalsContact O-N 3.16Å; Q717-Q719 VanDerWaalsContact C-N 3.3Å; Q717-Q719 PolarHBondContact O-N 2.81Å; Q719-I722 PolarHBondContact O-N 3.49Å; Q719-T723 PolarHBondContact O-N 2.97Å; Q719-T723 VanDerWaalsContact O-N 3.12Å; Q719-T723 PolarHBondContact O-OG1 3.12Å
720I98.4Very high97.4Very high0 Ų027 Ų270%015%0.151CC..Hα-helixtrans-61.1-47.2169.2-69.1164000110.2L675 L716 Q717 I722 T723 Q724 V730 V732 A752 A755 A757L675-I720 HydrophobicContact CD1-CB 4.47Å; L675-I720 HydrophobicContact CD1-CG1 3.82Å; L716-I720 HydrophobicContact CD1-CD1 4.14Å; L716-I720 HydrophobicContact CD1-CG1 4.35Å; L716-I720 HydrophobicContact CG-CD1 4.01Å; L716-I720 WeakPolarHBondContact O-CG1 3.3Å; L716-I720 PolarHBondContact O-N 3.31Å; Q717-I720 PolarHBondContact O-N 3.37Å; I720-I722 PolarHBondContact O-N 2.93Å; I720-T723 WeakPolarHBondContact O-CB 3.36Å; I720-T723 PolarHBondContact O-N 3.47Å; I720-T723 VanDerWaalsContact O-N 3.11Å; I720-Q724 WeakPolarHBondContact O-CG 3.43Å; I720-Q724 PolarHBondContact O-N 3.46Å; I720-V730 HydrophobicContact CG2-CG1 4.04Å; I720-V732 HydrophobicContact CD1-CG2 3.96Å; I720-V732 HydrophobicContact CG1-CG2 4.22Å; I720-A752 HydrophobicContact CD1-CB 4.26Å; I720-A755 HydrophobicContact CD1-CB 3.78Å; I720-A755 HydrophobicContact CG2-CB 4.38Å; I720-A755 WeakPolarHBondContact CG2-O 3.26Å; I720-A757 HydrophobicContact CD1-CB 4.19Å
721Q97.9Very high97.5Very high78 Ų7825.3 Ų25.336%0.36414%0.137SC..Hα-helixtrans-60.3-42.5177.4-71.7168.7-4.300112.5Q717 K718 T723 Q724 L725Q717-Q721 VanDerWaalsContact O-CG 3.3Å; Q717-Q721 WeakPolarHBondContact O-CG 3.25Å; Q717-Q721 PolarHBondContact O-N 3.14Å; K718-Q721 WeakPolarHBondContact O-CB 3.46Å; K718-Q721 PolarHBondContact O-N 3.03Å; Q721-T723 VanDerWaalsContact C-N 3.26Å; Q721-T723 PolarHBondContact O-N 2.71Å; Q721-Q724 WeakPolarHBondContact O-CB 3.38Å; Q721-Q724 PolarHBondContact O-N 2.67Å; Q721-Q724 VanDerWaalsContact O-N 3.16Å; Q721-L725 PolarHBondContact O-N 2.92Å; Q721-L725 VanDerWaalsContact O-N 3.13Å
722I97.9Very high97.5Very high0 Ų021.7 Ų21.70%012%0.118CC..Hα-helixtrans-58.2-42.9175.3-69162.4000110D652 M655 K718 Q719 I720 Q724 L725 F726 V811 L849D652-I722 HydrophobicContact CB-CD1 3.97Å; M655-I722 HydrophobicContact CE-CB 4.43Å; M655-I722 HydrophobicContact CE-CG2 3.7Å; K718-I722 HydrophobicContact CD-CG1 4.47Å; K718-I722 HydrophobicContact CG-CD1 4.2Å; K718-I722 VanDerWaalsContact O-CG1 3.26Å; K718-I722 WeakPolarHBondContact O-CG1 3.44Å; K718-I722 PolarHBondContact O-N 2.8Å; Q719-I722 PolarHBondContact O-N 3.49Å; I720-I722 PolarHBondContact O-N 2.93Å; I722-Q724 VanDerWaalsContact C-N 3.33Å; I722-Q724 PolarHBondContact O-N 3.34Å; I722-L725 WeakPolarHBondContact O-CB 3.4Å; I722-L725 PolarHBondContact O-N 3.09Å; I722-F726 HydrophobicContact CG2-CE2 4.37Å; I722-F726 WeakPolarHBondContact O-CD2 3.38Å; I722-V811 HydrophobicContact CD1-CG1 3.84Å; I722-V811 WeakPolarHBondContact CD1-O 3.29Å; I722-V811 HydrophobicContact CG1-CG1 4.11Å; I722-V811 HydrophobicContact CG2-CG1 4.03Å; I722-L849 HydrophobicContact CD1-CD2 4.22Å
723T96.2Very high97.6Very high0 Ų021.7 Ų21.70%012%0.118CC..Hα-helixtrans-62.1-42.3177-50.80000111.7M655 V673 Q719 I720 Q721 L725 F726 V730M655-T723 HydrophobicContact CE-CG2 4.37Å; M655-T723 VanDerWaalsContact CE-OG1 3.29Å; M655-T723 WeakPolarHBondContact CE-OG1 3.35Å; M655-T723 HydrophobicContact SD-CG2 4.06Å; M655-T723 PolarHBondContact SD-OG1 2.99Å; V673-T723 HydrophobicContact CB-CG2 3.8Å; V673-T723 HydrophobicContact CG1-CG2 4.04Å; V673-T723 HydrophobicContact CG2-CG2 3.75Å; Q719-T723 PolarHBondContact O-N 2.97Å; Q719-T723 VanDerWaalsContact O-N 3.12Å; Q719-T723 PolarHBondContact O-OG1 3.12Å; I720-T723 WeakPolarHBondContact O-CB 3.36Å; I720-T723 PolarHBondContact O-N 3.47Å; I720-T723 VanDerWaalsContact O-N 3.11Å; Q721-T723 VanDerWaalsContact C-N 3.26Å; Q721-T723 PolarHBondContact O-N 2.71Å; T723-L725 VanDerWaalsContact C-N 3.26Å; T723-L725 PolarHBondContact O-N 3.33Å; T723-F726 PolarHBondContact O-N 2.7Å; T723-F726 VanDerWaalsContact O-N 3.11Å; T723-V730 HydrophobicContact CG2-CB 3.9Å; T723-V730 HydrophobicContact CG2-CG2 4.14Å
724Q95.1Very high97.6Very high83 Ų8321.4 Ų21.439%0.38812%0.115SC..Hα-helixtrans-63.6-27.6178.8-70.2167-14.800113.1I720 Q721 I722 F726 G727 A755 G756I720-Q724 WeakPolarHBondContact O-CG 3.43Å; I720-Q724 PolarHBondContact O-N 3.46Å; Q721-Q724 WeakPolarHBondContact O-CB 3.38Å; Q721-Q724 PolarHBondContact O-N 2.67Å; Q721-Q724 VanDerWaalsContact O-N 3.16Å; I722-Q724 VanDerWaalsContact C-N 3.33Å; I722-Q724 PolarHBondContact O-N 3.34Å; Q724-F726 PolarHBondContact O-N 3.34Å; Q724-F726 VanDerWaalsContact O-N 3.15Å; Q724-G727 PolarHBondContact O-N 3.47Å; Q724-A755 PolarHBondContact NE2-O 3.33Å; Q724-G756 PolarHBondContact NE2-O 3Å; Q724-G756 VanDerWaalsContact NE2-O 3.09Å
725L96.8Very high97.6Very high61 Ų6119.5 Ų19.532%0.31910%0.102SC..Hα-helixtrans-55.7-31173.6-63.8175.6000112.3Q721 I722 T723 Q791 L793 A810Q721-L725 PolarHBondContact O-N 2.92Å; Q721-L725 VanDerWaalsContact O-N 3.13Å; I722-L725 WeakPolarHBondContact O-CB 3.4Å; I722-L725 PolarHBondContact O-N 3.09Å; T723-L725 VanDerWaalsContact C-N 3.26Å; T723-L725 PolarHBondContact O-N 3.33Å; L725-Q791 PolarHBondContact O-NE2 2.91Å; L725-L793 HydrophobicContact CD1-CD1 4.15Å; L725-A810 HydrophobicContact CD1-CB 4.13Å
726F97.1Very high97.5Very high0 Ų020.5 Ų20.50%011%0.108CC..THydrogen-bonded Turntrans-94.4-3.3-179.3-60.6-90.7000113.3E656 F659 N660 I722 T723 Q724 V728 F790 Q791 L793E656-F726 HydrophobicContact CG-CZ 4.43Å; F659-F726 HydrophobicContact CB-CD1 3.62Å; F659-F726 HydrophobicContact CB-CE1 3.56Å; F659-F726 HydrophobicContact CB-CG 4.35Å; F659-F726 HydrophobicContact CB-CZ 4.25Å; F659-F726 HydrophobicContact CD2-CB 3.74Å; F659-F726 AromaticContact CD2-CD1 3.39Å; F659-F726 HydrophobicContact CD2-CD1 3.39Å; F659-F726 AromaticContact CD2-CD2 3.38Å; F659-F726 HydrophobicContact CD2-CD2 3.38Å; F659-F726 AromaticContact CD2-CE1 3.73Å; F659-F726 HydrophobicContact CD2-CE1 3.73Å; F659-F726 AromaticContact CD2-CE2 3.74Å; F659-F726 HydrophobicContact CD2-CE2 3.74Å; F659-F726 AromaticContact CD2-CG 3.2Å; F659-F726 HydrophobicContact CD2-CG 3.2Å; F659-F726 AromaticContact CD2-CZ 3.9Å; F659-F726 HydrophobicContact CD2-CZ 3.9Å; F659-F726 HydrophobicContact CE2-CB 3.74Å; F659-F726 HydrophobicContact CE2-CD1 4.26Å; F659-F726 AromaticContact CE2-CD2 3.67Å; F659-F726 HydrophobicContact CE2-CD2 3.67Å; F659-F726 HydrophobicContact CE2-CE2 4.33Å; F659-F726 AromaticContact CE2-CG 3.64Å; F659-F726 HydrophobicContact CE2-CG 3.64Å; F659-F726 HydrophobicContact CG-CB 4.48Å; F659-F726 AromaticContact CG-CD1 3.8Å; F659-F726 HydrophobicContact CG-CD1 3.8Å; F659-F726 HydrophobicContact CG-CE1 4.1Å; F659-F726 HydrophobicContact CG-CG 4.04Å; N660-F726 WeakPolarHBondContact ND2-CE1 3.47Å; I722-F726 HydrophobicContact CG2-CE2 4.37Å; I722-F726 WeakPolarHBondContact O-CD2 3.38Å; T723-F726 PolarHBondContact O-N 2.7Å; T723-F726 VanDerWaalsContact O-N 3.11Å; Q724-F726 PolarHBondContact O-N 3.34Å; Q724-F726 VanDerWaalsContact O-N 3.15Å; F726-V728 PolarHBondContact O-N 3.48Å; F726-F790 HydrophobicContact CB-CD2 4.42Å; F726-F790 HydrophobicContact CB-CE2 4.32Å; F726-F790 HydrophobicContact CD1-CE2 4.38Å; F726-F790 VanDerWaalsContact O-CA 3.22Å; F726-F790 WeakPolarHBondContact O-CA 3.38Å; F726-Q791 VanDerWaalsContact CD1-O 3.29Å; F726-Q791 WeakPolarHBondContact CD1-O 3.31Å; F726-Q791 PolarHBondContact O-N 3.47Å; F726-Q791 VanDerWaalsContact O-N 3.13Å; F726-L793 HydrophobicContact CE1-CB 3.84Å; F726-L793 HydrophobicContact CZ-CB 3.96Å
727G95.2Very high97.3Very high25 Ų2523.2 Ų23.226%0.25812%0.12SC..THydrogen-bonded Turntrans72.821.5174.100000116.1Q724 R789Q724-G727 PolarHBondContact O-N 3.47Å; G727-R789 PolarHBondContact O-N 2.9Å
728V95.9Very high97Very high6 Ų629.3 Ų29.34%0.03615%0.145CC..  trans-100.7134.5177.6-171.50000110.6F659 V673 F726 F790F659-V728 HydrophobicContact CZ-CG2 4.21Å; V673-V728 HydrophobicContact CG2-CB 4.26Å; V673-V728 HydrophobicContact CG2-CG1 3.94Å; F726-V728 PolarHBondContact O-N 3.48Å; V728-F790 HydrophobicContact CG2-CD2 3.84Å
729P96.6Very high96.8Very high25 Ų2530.3 Ų30.316%0.16215%0.154CC..  trans-56.7139.7173-23.932.9000112.5N671 V673 A783N671-P729 WeakPolarHBondContact O-CD 3.23Å; V673-P729 PolarHBondContact N-O 2.92Å; P729-A783 HydrophobicContact CB-CB 4.32Å
730V97.4Very high96.7Very high4 Ų431 Ų312%0.02416%0.157CC..EExtended strand (participates in β ladder)trans-123128.8-177.265.80000112.2V673 L675 I720 T723 A757 F758V673-V730 HydrophobicContact CB-CG2 4.32Å; V673-V730 HydrophobicContact CG1-CG2 4.24Å; V673-V730 CarbonylContact O-C 3.23Å; V673-V730 WeakPolarHBondContact O-CA 3.49Å; L675-V730 HydrophobicContact CB-CG2 4.14Å; L675-V730 HydrophobicContact CD1-CG2 3.53Å; L675-V730 HydrophobicContact CG-CG2 3.58Å; I720-V730 HydrophobicContact CG2-CG1 4.04Å; T723-V730 HydrophobicContact CG2-CB 3.9Å; T723-V730 HydrophobicContact CG2-CG2 4.14Å; V730-A757 HydrophobicContact CG1-CB 4.26Å; V730-F758 VanDerWaalsContact O-CB 3.29Å; V730-F758 WeakPolarHBondContact O-CB 3.42Å; V730-F758 PolarHBondContact O-N 3.14Å
731V98.7Very high96.7Very high0 Ų032.8 Ų32.80%017%0.168CC..EExtended strand (participates in β ladder)trans-112.4127.8172.9178.50000108.2V672 V673 V674 L675 F758 D759 L776 A779 A783V672-V731 HydrophobicContact CG1-CG2 4.13Å; V673-V731 PolarHBondContact O-N 3.46Å; V674-V731 CarbonylContact C-O 3.56Å; V674-V731 VanDerWaalsContact CA-O 3.25Å; V674-V731 WeakPolarHBondContact CA-O 3.22Å; L675-V731 PolarHBondContact N-O 2.9Å; V731-F758 HydrophobicContact CG2-CB 4.46Å; V731-F758 HydrophobicContact CG2-CD1 4.26Å; V731-D759 CarbonylContact C-O 3.54Å; V731-D759 WeakPolarHBondContact CA-O 3.41Å; V731-D759 HydrophobicContact CG1-CB 4.36Å; V731-L776 HydrophobicContact CG1-CD1 3.71Å; V731-A779 HydrophobicContact CG1-CB 3.94Å; V731-A783 HydrophobicContact CG2-CB 3.81Å
732V98.8Very high96.7Very high1 Ų136.2 Ų36.21%0.00618%0.178CC..EExtended strand (participates in β ladder)trans-88.1125.1177.2175.90000109.8L675 L716 I720 A752 A757 D759 A760 V761L675-V732 HydrophobicContact CB-CG2 4.37Å; L675-V732 CarbonylContact O-C 3.52Å; L675-V732 WeakPolarHBondContact O-CA 3.35Å; L716-V732 HydrophobicContact CD1-CG1 4.21Å; L716-V732 HydrophobicContact CD1-CG2 4.19Å; L716-V732 HydrophobicContact CD2-CG1 4.36Å; I720-V732 HydrophobicContact CD1-CG2 3.96Å; I720-V732 HydrophobicContact CG1-CG2 4.22Å; V732-A752 HydrophobicContact CB-CB 4.14Å; V732-A752 HydrophobicContact CG1-CB 4.3Å; V732-A752 HydrophobicContact CG2-CB 3.91Å; V732-A757 HydrophobicContact CG2-CB 3.91Å; V732-D759 PolarHBondContact N-O 3.03Å; V732-A760 HydrophobicContact CB-CB 3.93Å; V732-A760 CarbonylContact O-C 3.58Å; V732-A760 VanDerWaalsContact O-CA 3.32Å; V732-A760 WeakPolarHBondContact O-CA 3.14Å; V732-V761 PolarHBondContact O-N 3.46Å
733A98.8Very high96.7Very high0 Ų038.4 Ų38.40%020%0.196CC..EExtended strand (participates in β ladder)trans-101.3107171.500000109.1V367 V674 L675 V676 A677 N735 L776V367-A733 HydrophobicContact CG1-CB 3.79Å; V367-A733 HydrophobicContact CG2-CB 4.48Å; V674-A733 HydrophobicContact CG1-CB 3.64Å; L675-A733 PolarHBondContact O-N 3.35Å; V676-A733 WeakPolarHBondContact CA-O 3.47Å; V676-A733 HydrophobicContact CG2-CB 4.42Å; A677-A733 PolarHBondContact N-O 3.22Å; A733-N735 PolarHBondContact O-N 2.9Å; A733-L776 HydrophobicContact CB-CD1 3.89Å; A733-L776 HydrophobicContact CB-CD2 3.83Å
734L98.6Very high96.8Very high1 Ų138.4 Ų38.41%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-85.4104.1173.6-178.962000108.7A677 V679 V736 I745 V748 V761 P762 C763A677-L734 HydrophobicContact CB-CD1 4.5Å; A677-L734 WeakPolarHBondContact O-CA 3.42Å; V679-L734 HydrophobicContact CG2-CD1 4.25Å; V679-L734 HydrophobicContact CG2-CD2 4.38Å; L734-V736 PolarHBondContact O-N 3.18Å; L734-I745 HydrophobicContact CD2-CB 4.2Å; L734-I745 HydrophobicContact CD2-CG1 4.15Å; L734-I745 HydrophobicContact CD2-CG2 4.06Å; L734-V748 HydrophobicContact CD1-CG1 3.97Å; L734-V748 HydrophobicContact CD2-CB 4.01Å; L734-V748 HydrophobicContact CD2-CG1 4.11Å; L734-V761 PolarHBondContact N-O 3.3Å; L734-P762 CarbonylContact O-C 3.49Å; L734-P762 WeakPolarHBondContact O-CA 3.35Å; L734-C763 PolarHBondContact O-N 3.42Å
735N97.9Very high97Very high6 Ų634.7 Ų34.73%0.03218%0.179CC..EExtended strand (participates in β ladder)trans-76.1111.5177.5-179.922.8000109.6E362 V367 V676 A677 T678 A733E362-N735 PolarHBondContact O-ND2 3.24Å; V367-N735 HydrophobicContact CG2-CB 4.16Å; V676-N735 HydrophobicContact CG1-CB 4.37Å; A677-N735 PolarHBondContact O-N 2.92Å; T678-N735 HydrophobicContact CG2-CB 4.03Å; A733-N735 PolarHBondContact O-N 2.9Å
736V97.1Very high97Very high20 Ų2035 Ų3512%0.12118%0.181CC..  trans-87.9131.2-167.7-1790000111.5L734 D740 I745 P762 C763 Y764L734-V736 PolarHBondContact O-N 3.18Å; V736-D740 HydrophobicContact CG1-CB 4.22Å; V736-I745 HydrophobicContact CG1-CD1 3.78Å; V736-I745 HydrophobicContact CG2-CD1 4.16Å; V736-I745 HydrophobicContact CG2-CG1 4.46Å; V736-P762 HydrophobicContact CG2-CB 3.72Å; V736-C763 PolarHBondContact N-O 3.47Å; V736-Y764 HydrophobicContact CB-CD1 3.98Å; V736-Y764 HydrophobicContact CB-CE1 3.73Å; V736-Y764 HydrophobicContact CG1-CD1 4.14Å; V736-Y764 HydrophobicContact CG1-CE1 3.55Å; V736-Y764 HydrophobicContact CG2-CD1 4.46Å; V736-Y764 HydrophobicContact CG2-CE1 3.96Å
737F94.1Very high97.1Very high59 Ų5936.6 Ų36.626%0.25919%0.189SC..  trans-101.2159.3171.3-76.6-87.5000112.5T678 T739 D740T678-F737 HydrophobicContact CG2-CD2 4.28Å; T678-F737 HydrophobicContact CG2-CE2 3.67Å; F737-T739 PolarHBondContact O-N 2.86Å; F737-T739 VanDerWaalsContact O-N 3.08Å; F737-D740 PolarHBondContact N-OD2 2.83Å; F737-D740 WeakPolarHBondContact O-CB 3.37Å; F737-D740 PolarHBondContact O-N 3.37Å
738K91.8Very high97.3Very high217 Ų21735.4 Ų35.494%0.94318%0.177SC*.THydrogen-bonded Turntrans-54.2-30.4-179.4-177.3179.1177.3-1770113.8
739T93.5Very high97.4Very high50 Ų5035.8 Ų35.831%0.30718%0.18SC..THydrogen-bonded Turntrans-88-9.6-177.549.10000113.8F737F737-T739 PolarHBondContact O-N 2.86Å; F737-T739 VanDerWaalsContact O-N 3.08Å
740D96.6Very high97.5Very high15 Ų1538.5 Ų38.58%0.0819%0.19CC..  trans-76.1127.7-175.1-59.8-9.6000109.3V679 V736 F737 I745V679-D740 HydrophobicContact CB-CB 4.32Å; V679-D740 HydrophobicContact CG2-CB 4.03Å; V736-D740 HydrophobicContact CG1-CB 4.22Å; F737-D740 PolarHBondContact N-OD2 2.83Å; F737-D740 WeakPolarHBondContact O-CB 3.37Å; F737-D740 PolarHBondContact O-N 3.37Å; D740-I745 HydrophobicContact CB-CD1 4.23Å; D740-I745 HydrophobicContact CB-CG1 4.25Å
741T98.1Very high97.5Very high37 Ų3740.5 Ų40.523%0.22720%0.2CC..  trans-85.6161.2179.876.70000111.7E704 A743 E744 I745E704-T741 HydrophobicContact CB-CG2 3.76Å; E704-T741 HydrophobicContact CG-CG2 3.98Å; E704-T741 WeakPolarHBondContact OE2-CB 3.34Å; E704-T741 WeakPolarHBondContact OE2-CG2 3.49Å; E704-T741 PolarHBondContact OE2-OG1 3Å; T741-A743 VanDerWaalsContact C-N 3.27Å; T741-A743 PolarHBondContact O-N 2.82Å; T741-E744 PolarHBondContact N-OE2 2.89Å; T741-E744 PolarHBondContact O-N 2.99Å; T741-E744 WeakPolarHBondContact OG1-CG 3.38Å; T741-E744 PolarHBondContact OG1-N 2.8Å; T741-I745 WeakPolarHBondContact O-CD1 3.02Å; T741-I745 VanDerWaalsContact O-CG1 3.29Å; T741-I745 WeakPolarHBondContact O-CG1 3.35Å; T741-I745 PolarHBondContact O-N 3.15Å
742R97.9Very high97.5Very high150 Ų15040.5 Ų40.557%0.56620%0.201SC*.Hα-helixtrans-60.8-38.5177.6-176.361.7-166.6-170.26.9112.1I745 D746R742-I745 PolarHBondContact O-N 3.35Å; R742-D746 WeakPolarHBondContact CG-OD2 3.29Å; R742-D746 IonicContact CZ-OD1 2.98Å; R742-D746 IonicContact CZ-OD2 2.89Å; R742-D746 VanDerWaalsContact NE-CG 3.27Å; R742-D746 IonicContact NE-OD1 3.43Å; R742-D746 PolarHBondContact NE-OD1 3.4Å; R742-D746 IonicContact NE-OD2 2.7Å; R742-D746 PolarHBondContact NE-OD2 3.32Å; R742-D746 IonicContact NH2-OD1 3.05Å; R742-D746 PolarHBondContact NH2-OD1 3.09Å; R742-D746 IonicContact NH2-OD2 3.72Å; R742-D746 WeakPolarHBondContact O-CB 3.34Å; R742-D746 VanDerWaalsContact O-CG 3.32Å; R742-D746 PolarHBondContact O-N 3.28Å
743A98.3Very high97.5Very high46 Ų4645.3 Ų45.338%0.3822%0.222SC..Hα-helixtrans-63.7-41.7178.700000112.1I706 T741 L747I706-A743 HydrophobicContact CD1-CB 3.81Å; T741-A743 VanDerWaalsContact C-N 3.27Å; T741-A743 PolarHBondContact O-N 2.82Å; A743-L747 WeakPolarHBondContact O-CB 3.42Å; A743-L747 PolarHBondContact O-N 3.1Å
744E98.6Very high97.5Very high0 Ų053.9 Ų53.90%025%0.254CS..Hα-helixtrans-65.5-43.7175.8-67.8175.6144.800111.9V679 K683 E704 N705 I706 V709 T741 L747 V748V679-E744 HydrophobicContact CG1-CB 3.95Å; V679-E744 HydrophobicContact CG1-CG 4.32Å; V679-E744 HydrophobicContact CG2-CB 4.21Å; K683-E744 WeakPolarHBondContact CE-OE1 3.41Å; K683-E744 IonicContact NZ-OE1 3.6Å; K683-E744 PolarHBondContact NZ-OE1 3.46Å; K683-E744 IonicContact NZ-OE2 2.66Å; K683-E744 PolarHBondContact NZ-OE2 2.84Å; E704-E744 WeakPolarHBondContact CA-OE1 3.47Å; E704-E744 HydrophobicContact CG-CG 4.05Å; N705-E744 PolarHBondContact N-OE1 3.11Å; I706-E744 HydrophobicContact CD1-CB 4.41Å; I706-E744 HydrophobicContact CD1-CG 3.71Å; V709-E744 HydrophobicContact CG2-CB 4.41Å; V709-E744 HydrophobicContact CG2-CG 4.15Å; T741-E744 PolarHBondContact N-OE2 2.89Å; T741-E744 PolarHBondContact O-N 2.99Å; T741-E744 WeakPolarHBondContact OG1-CG 3.38Å; T741-E744 PolarHBondContact OG1-N 2.8Å; E744-L747 PolarHBondContact O-N 2.96Å; E744-V748 WeakPolarHBondContact O-CG2 3.36Å; E744-V748 PolarHBondContact O-N 3.43Å; E744-V748 VanDerWaalsContact O-N 3.09Å
745I98.6Very high97.5Very high6 Ų654.5 Ų54.53%0.03126%0.259CS..Hα-helixtrans-59.9-49.4178-71.3165.5000111L734 V736 D740 T741 R742 V748 C749 P762L734-I745 HydrophobicContact CD2-CB 4.2Å; L734-I745 HydrophobicContact CD2-CG1 4.15Å; L734-I745 HydrophobicContact CD2-CG2 4.06Å; V736-I745 HydrophobicContact CG1-CD1 3.78Å; V736-I745 HydrophobicContact CG2-CD1 4.16Å; V736-I745 HydrophobicContact CG2-CG1 4.46Å; D740-I745 HydrophobicContact CB-CD1 4.23Å; D740-I745 HydrophobicContact CB-CG1 4.25Å; T741-I745 WeakPolarHBondContact O-CD1 3.02Å; T741-I745 VanDerWaalsContact O-CG1 3.29Å; T741-I745 WeakPolarHBondContact O-CG1 3.35Å; T741-I745 PolarHBondContact O-N 3.15Å; R742-I745 PolarHBondContact O-N 3.35Å; I745-V748 PolarHBondContact O-N 3.45Å; I745-C749 PolarHBondContact O-N 2.66Å; I745-C749 VanDerWaalsContact O-N 3.15Å; I745-C749 PolarHBondContact O-SG 2.8Å; I745-P762 HydrophobicContact CG2-CB 3.87Å; I745-P762 HydrophobicContact CG2-CG 4.27Å
746D98.5Very high97.4Very high67 Ų6756.1 Ų56.136%0.35828%0.277SS..Hα-helixtrans-63.6-42.6-178.7-73.9-27.8000111.1R742 V748 C749 E750R742-D746 WeakPolarHBondContact CG-OD2 3.29Å; R742-D746 IonicContact CZ-OD1 2.98Å; R742-D746 IonicContact CZ-OD2 2.89Å; R742-D746 VanDerWaalsContact NE-CG 3.27Å; R742-D746 IonicContact NE-OD1 3.43Å; R742-D746 PolarHBondContact NE-OD1 3.4Å; R742-D746 IonicContact NE-OD2 2.7Å; R742-D746 PolarHBondContact NE-OD2 3.32Å; R742-D746 IonicContact NH2-OD1 3.05Å; R742-D746 PolarHBondContact NH2-OD1 3.09Å; R742-D746 IonicContact NH2-OD2 3.72Å; R742-D746 WeakPolarHBondContact O-CB 3.34Å; R742-D746 VanDerWaalsContact O-CG 3.32Å; R742-D746 PolarHBondContact O-N 3.28Å; D746-V748 PolarHBondContact O-N 3.32Å; D746-C749 PolarHBondContact O-N 3.45Å; D746-E750 WeakPolarHBondContact O-CB 3.45Å; D746-E750 PolarHBondContact O-N 2.89Å
747L98.6Very high97.5Very high33 Ų3355.6 Ų55.617%0.17328%0.275CS..Hα-helixtrans-60.1-46.7177.4178.262.5000112.5I706 V709 A710 A743 E744 C749 E750 L751I706-L747 HydrophobicContact CD1-CD2 4.42Å; I706-L747 HydrophobicContact CG2-CD2 3.76Å; V709-L747 HydrophobicContact CB-CD2 4.49Å; V709-L747 HydrophobicContact CG1-CD2 4.17Å; A710-L747 HydrophobicContact CB-CD2 4.14Å; A743-L747 WeakPolarHBondContact O-CB 3.42Å; A743-L747 PolarHBondContact O-N 3.1Å; E744-L747 PolarHBondContact O-N 2.96Å; L747-C749 VanDerWaalsContact C-N 3.33Å; L747-C749 PolarHBondContact O-N 3.21Å; L747-E750 PolarHBondContact O-N 3.17Å; L747-L751 HydrophobicContact CD1-CD1 3.77Å; L747-L751 HydrophobicContact CD1-CG 3.91Å; L747-L751 HydrophobicContact CG-CD1 3.94Å; L747-L751 HydrophobicContact CG-CG 4.39Å; L747-L751 WeakPolarHBondContact O-CB 3.34Å; L747-L751 WeakPolarHBondContact O-CG 3.24Å; L747-L751 PolarHBondContact O-N 2.77Å
748V98.6Very high97.6Very high0 Ų056.4 Ų56.40%028%0.279CS..Hα-helixtrans-62-43.8179.4174.20000110.7L682 V709 L716 L734 E744 I745 D746 L751 A752L682-V748 HydrophobicContact CD1-CB 4.29Å; L682-V748 HydrophobicContact CD1-CG1 3.66Å; L682-V748 HydrophobicContact CD1-CG2 3.55Å; V709-V748 HydrophobicContact CG1-CG2 3.37Å; L716-V748 HydrophobicContact CD2-CG1 3.94Å; L734-V748 HydrophobicContact CD1-CG1 3.97Å; L734-V748 HydrophobicContact CD2-CB 4.01Å; L734-V748 HydrophobicContact CD2-CG1 4.11Å; E744-V748 WeakPolarHBondContact O-CG2 3.36Å; E744-V748 PolarHBondContact O-N 3.43Å; E744-V748 VanDerWaalsContact O-N 3.09Å; I745-V748 PolarHBondContact O-N 3.45Å; D746-V748 PolarHBondContact O-N 3.32Å; V748-L751 PolarHBondContact O-N 3.13Å; V748-A752 VanDerWaalsContact O-CB 3.27Å; V748-A752 WeakPolarHBondContact O-CB 3.32Å; V748-A752 PolarHBondContact O-N 3.09Å
749C98.6Very high97.9Very high14 Ų1447.9 Ų47.910%0.09524%0.243CC..Hα-helixtrans-65.2-40.7179.7-63.90000111.8I745 D746 L747 K753 A760I745-C749 PolarHBondContact O-N 2.66Å; I745-C749 VanDerWaalsContact O-N 3.15Å; I745-C749 PolarHBondContact O-SG 2.8Å; D746-C749 PolarHBondContact O-N 3.45Å; L747-C749 VanDerWaalsContact C-N 3.33Å; L747-C749 PolarHBondContact O-N 3.21Å; C749-K753 WeakPolarHBondContact O-CG 2.86Å; C749-K753 PolarHBondContact O-N 3.3Å; C749-K753 VanDerWaalsContact O-N 3.14Å; C749-A760 HydrophobicContact CB-CB 4.02Å
750E98.4Very high98.2Very high83 Ų8345.8 Ų45.839%0.38823%0.231SC..Hα-helixtrans-61.9-49.8175.3-179.8-177.9136.600111.8D746 L747 A752 K753 R754D746-E750 WeakPolarHBondContact O-CB 3.45Å; D746-E750 PolarHBondContact O-N 2.89Å; L747-E750 PolarHBondContact O-N 3.17Å; E750-A752 PolarHBondContact O-N 3.31Å; E750-K753 PolarHBondContact O-N 2.97Å; E750-R754 WeakPolarHBondContact O-CG 3.39Å; E750-R754 PolarHBondContact O-N 3.44Å; E750-R754 IonicContact OE1-CZ 2.7Å; E750-R754 IonicContact OE1-NE 2.79Å; E750-R754 IonicContact OE1-NH1 3.42Å; E750-R754 PolarHBondContact OE1-NH1 2.98Å; E750-R754 IonicContact OE1-NH2 3.24Å; E750-R754 PolarHBondContact OE1-NH2 3.27Å
751L98.6Very high98.3Very high45 Ų4545.6 Ų45.624%0.23623%0.23CC..Hα-helixtrans-66.3-36.3-179.5-68.7179.2000112.2C713 L747 V748 R754 A755C713-L751 HydrophobicContact CB-CB 4.31Å; C713-L751 HydrophobicContact CB-CD1 3.66Å; L747-L751 HydrophobicContact CD1-CD1 3.77Å; L747-L751 HydrophobicContact CD1-CG 3.91Å; L747-L751 HydrophobicContact CG-CD1 3.94Å; L747-L751 HydrophobicContact CG-CG 4.39Å; L747-L751 WeakPolarHBondContact O-CB 3.34Å; L747-L751 WeakPolarHBondContact O-CG 3.24Å; L747-L751 PolarHBondContact O-N 2.77Å; V748-L751 PolarHBondContact O-N 3.13Å; L751-R754 PolarHBondContact O-N 3.31Å; L751-A755 WeakPolarHBondContact O-CB 3.45Å; L751-A755 PolarHBondContact O-N 2.85Å
752A98.6Very high98.3Very high1 Ų145.3 Ų45.31%0.00823%0.229CC..Hα-helixtrans-60.6-47.1173.400000112.2L716 I720 V732 V748 E750 A755 G756 A757 A760L716-A752 HydrophobicContact CD2-CB 4.11Å; I720-A752 HydrophobicContact CD1-CB 4.26Å; V732-A752 HydrophobicContact CB-CB 4.14Å; V732-A752 HydrophobicContact CG1-CB 4.3Å; V732-A752 HydrophobicContact CG2-CB 3.91Å; V748-A752 VanDerWaalsContact O-CB 3.27Å; V748-A752 WeakPolarHBondContact O-CB 3.32Å; V748-A752 PolarHBondContact O-N 3.09Å; E750-A752 PolarHBondContact O-N 3.31Å; A752-A755 WeakPolarHBondContact O-CB 3.33Å; A752-A755 PolarHBondContact O-N 2.95Å; A752-G756 PolarHBondContact O-N 2.95Å; A752-A757 HydrophobicContact CB-CB 4.48Å; A752-A757 VanDerWaalsContact O-CB 3.26Å; A752-A757 WeakPolarHBondContact O-CB 3.42Å; A752-A757 PolarHBondContact O-N 3.43Å; A752-A757 VanDerWaalsContact O-N 3.13Å; A752-A760 HydrophobicContact CB-CB 3.69Å
753K98.4Very high98.3Very high102 Ų10238.2 Ų38.244%0.44320%0.202SC..Hα-helixtrans-64.6-42.6177.5-70.5176.7-176.4-163.30111.5C749 E750 A755 G756 D759 A760C749-K753 WeakPolarHBondContact O-CG 2.86Å; C749-K753 PolarHBondContact O-N 3.3Å; C749-K753 VanDerWaalsContact O-N 3.14Å; E750-K753 PolarHBondContact O-N 2.97Å; K753-A755 VanDerWaalsContact C-N 3.25Å; K753-A755 PolarHBondContact O-N 3.3Å; K753-G756 PolarHBondContact O-N 3.41Å; K753-D759 WeakPolarHBondContact CE-OD1 3.38Å; K753-D759 IonicContact NZ-OD1 2.72Å; K753-D759 PolarHBondContact NZ-OD1 3.06Å; K753-A760 HydrophobicContact CG-CB 4.15Å
754R98.1Very high98.3Very high180 Ų18040.2 Ų40.268%0.67920%0.201SC*.Hα-helixtrans-61.4-32.2173.9-75.7-176.4178.6149.410113.2E750 L751 G756E750-R754 WeakPolarHBondContact O-CG 3.39Å; E750-R754 PolarHBondContact O-N 3.44Å; E750-R754 IonicContact OE1-CZ 2.7Å; E750-R754 IonicContact OE1-NE 2.79Å; E750-R754 IonicContact OE1-NH1 3.42Å; E750-R754 PolarHBondContact OE1-NH1 2.98Å; E750-R754 IonicContact OE1-NH2 3.24Å; E750-R754 PolarHBondContact OE1-NH2 3.27Å; L751-R754 PolarHBondContact O-N 3.31Å; R754-G756 PolarHBondContact O-N 3.16Å
755A97.8Very high98.2Very high13 Ų1340.2 Ų40.211%0.10720%0.201CC..THydrogen-bonded Turntrans-72.5-4.7173.900000113.7Q717 I720 Q724 L751 A752 K753Q717-A755 HydrophobicContact CB-CB 4.08Å; Q717-A755 HydrophobicContact CG-CB 3.77Å; I720-A755 HydrophobicContact CD1-CB 3.78Å; I720-A755 HydrophobicContact CG2-CB 4.38Å; I720-A755 WeakPolarHBondContact CG2-O 3.26Å; Q724-A755 PolarHBondContact NE2-O 3.33Å; L751-A755 WeakPolarHBondContact O-CB 3.45Å; L751-A755 PolarHBondContact O-N 2.85Å; A752-A755 WeakPolarHBondContact O-CB 3.33Å; A752-A755 PolarHBondContact O-N 2.95Å; K753-A755 VanDerWaalsContact C-N 3.25Å; K753-A755 PolarHBondContact O-N 3.3Å
756G96.9Very high98.1Very high40 Ų4044.9 Ų44.941%0.41222%0.218SC..THydrogen-bonded Turntrans94.522.2177.700000114.2Q724 A752 K753 R754Q724-G756 PolarHBondContact NE2-O 3Å; Q724-G756 VanDerWaalsContact NE2-O 3.09Å; A752-G756 PolarHBondContact O-N 2.95Å; K753-G756 PolarHBondContact O-N 3.41Å; R754-G756 PolarHBondContact O-N 3.16Å
757A97.9Very high98Very high10 Ų1043.5 Ų43.58%0.08321%0.213CC..  trans-66.6141.3162.700000110.4I720 V730 V732 A752 D759I720-A757 HydrophobicContact CD1-CB 4.19Å; V730-A757 HydrophobicContact CG1-CB 4.26Å; V732-A757 HydrophobicContact CG2-CB 3.91Å; A752-A757 HydrophobicContact CB-CB 4.48Å; A752-A757 VanDerWaalsContact O-CB 3.26Å; A752-A757 WeakPolarHBondContact O-CB 3.42Å; A752-A757 PolarHBondContact O-N 3.43Å; A752-A757 VanDerWaalsContact O-N 3.13Å; A757-D759 VanDerWaalsContact C-N 3.31Å
758F97.6Very high97.9Very high76 Ų7644.5 Ų44.533%0.33322%0.221SC..SBendtrans-60.1-44.9174.5-178.2-90.2000110.7V730 V731 E782 A783 K786V730-F758 VanDerWaalsContact O-CB 3.29Å; V730-F758 WeakPolarHBondContact O-CB 3.42Å; V730-F758 PolarHBondContact O-N 3.14Å; V731-F758 HydrophobicContact CG2-CB 4.46Å; V731-F758 HydrophobicContact CG2-CD1 4.26Å; F758-E782 HydrophobicContact CE1-CB 4.16Å; F758-E782 HydrophobicContact CE1-CG 4.11Å; F758-E782 HydrophobicContact CZ-CB 4.41Å; F758-E782 HydrophobicContact CZ-CG 3.92Å; F758-A783 HydrophobicContact CD1-CB 3.71Å; F758-A783 HydrophobicContact CE1-CB 3.96Å; F758-A783 HydrophobicContact CG-CB 4.09Å; F758-K786 HydrophobicContact CE2-CG 4Å
759D98.4Very high97.8Very high38 Ų3844.5 Ų44.520%0.20322%0.221CC..EExtended strand (participates in β ladder)trans-152.4166.2172.1-159.74.9000110.4V731 V732 K753 A757 A779V731-D759 CarbonylContact C-O 3.54Å; V731-D759 WeakPolarHBondContact CA-O 3.41Å; V731-D759 HydrophobicContact CG1-CB 4.36Å; V732-D759 PolarHBondContact N-O 3.03Å; K753-D759 WeakPolarHBondContact CE-OD1 3.38Å; K753-D759 IonicContact NZ-OD1 2.72Å; K753-D759 PolarHBondContact NZ-OD1 3.06Å; A757-D759 VanDerWaalsContact C-N 3.31Å; D759-A779 HydrophobicContact CB-CB 4.09Å; D759-A779 WeakPolarHBondContact OD2-CB 3.5Å
760A98.6Very high97.8Very high6 Ų643.8 Ų43.85%0.0522%0.216CC..EExtended strand (participates in β ladder)trans-143.1122.2175.900000109.4V732 C749 A752 K753V732-A760 HydrophobicContact CB-CB 3.93Å; V732-A760 CarbonylContact O-C 3.58Å; V732-A760 VanDerWaalsContact O-CA 3.32Å; V732-A760 WeakPolarHBondContact O-CA 3.14Å; C749-A760 HydrophobicContact CB-CB 4.02Å; A752-A760 HydrophobicContact CB-CB 3.69Å; K753-A760 HydrophobicContact CG-CB 4.15Å
761V98.3Very high97.8Very high11 Ų1147 Ų477%0.06723%0.229CC..EExtended strand (participates in β ladder)trans-131.7129.7-166.4-171.40000111.4V732 L734 C763 D775 A779V732-V761 PolarHBondContact O-N 3.46Å; L734-V761 PolarHBondContact N-O 3.3Å; V761-C763 PolarHBondContact O-SG 2.98Å; V761-C763 VanDerWaalsContact O-SG 3.4Å; V761-D775 HydrophobicContact CG1-CB 3.66Å; V761-A779 HydrophobicContact CG2-CB 4.01Å
762P98.3Very high97.7Very high31 Ų3145.4 Ų45.420%0.20122%0.224CC..EExtended strand (participates in β ladder)trans-71.2136.4169.829.6-33.3000111.2L734 V736 I745 Y764L734-P762 CarbonylContact O-C 3.49Å; L734-P762 WeakPolarHBondContact O-CA 3.35Å; V736-P762 HydrophobicContact CG2-CB 3.72Å; I745-P762 HydrophobicContact CG2-CB 3.87Å; I745-P762 HydrophobicContact CG2-CG 4.27Å; P762-Y764 HydrophobicContact CB-CE2 4.08Å; P762-Y764 HydrophobicContact CG-CE2 4.41Å
763C98.4Very high97.7Very high0 Ų045.4 Ų45.40%022%0.224CC..EExtended strand (participates in β ladder)trans-124132.5-172.7-610000111.1L734 V736 V761 H765L734-C763 PolarHBondContact O-N 3.42Å; V736-C763 PolarHBondContact N-O 3.47Å; V761-C763 PolarHBondContact O-SG 2.98Å; V761-C763 VanDerWaalsContact O-SG 3.4Å; C763-H765 WeakPolarHBondContact CB-ND1 3.23Å
764Y97.8Very high97.7Very high89 Ų8941.5 Ų41.535%0.34921%0.208SC..  trans-120.615.9-174.1-58-86.6000113.2V736 P762 W766 S767 V768 G772V736-Y764 HydrophobicContact CB-CD1 3.98Å; V736-Y764 HydrophobicContact CB-CE1 3.73Å; V736-Y764 HydrophobicContact CG1-CD1 4.14Å; V736-Y764 HydrophobicContact CG1-CE1 3.55Å; V736-Y764 HydrophobicContact CG2-CD1 4.46Å; V736-Y764 HydrophobicContact CG2-CE1 3.96Å; P762-Y764 HydrophobicContact CB-CE2 4.08Å; P762-Y764 HydrophobicContact CG-CE2 4.41Å; Y764-W766 PolarHBondContact O-N 2.89Å; Y764-S767 PolarHBondContact O-N 3.26Å; Y764-S767 VanDerWaalsContact O-N 3.1Å; Y764-S767 PolarHBondContact O-OG 2.9Å; Y764-S767 VanDerWaalsContact O-OG 3.1Å; Y764-V768 WeakPolarHBondContact O-CG2 3.33Å; Y764-V768 PolarHBondContact O-N 2.93Å; Y764-G772 PolarHBondContact N-O 2.94Å
765H97.6Very high97.8Very high0 Ų037.4 Ų37.40%020%0.2CC..Hα-helixtrans-62.9-25.7-171.851-82.8000114.3T366 V367 A408 C763 S767 G769 S773T366-H765 VanDerWaalsContact C-CD2 3.46Å; T366-H765 VanDerWaalsContact C-NE2 3.32Å; T366-H765 PolarHBondContact O-CD2 3.26Å; T366-H765 PolarHBondContact O-NE2 2.86Å; V367-H765 WeakPolarHBondContact CA-NE2 3.49Å; V367-H765 VanDerWaalsContact CG2-CE1 3.49Å; V367-H765 WeakPolarHBondContact CG2-CE1 3.4Å; V367-H765 PolarHBondContact N-NE2 2.87Å; A408-H765 HydrophobicContact CB-CB 4.11Å; C763-H765 WeakPolarHBondContact CB-ND1 3.23Å; H765-S767 VanDerWaalsContact C-N 3.27Å; H765-S767 PolarHBondContact O-N 3.4Å; H765-G769 WeakPolarHBondContact CA-O 3.42Å; H765-G769 VanDerWaalsContact CB-O 3.3Å; H765-G769 WeakPolarHBondContact CB-O 3.3Å; H765-G769 VanDerWaalsContact O-CA 3.29Å; H765-G769 WeakPolarHBondContact O-CA 3.29Å; H765-G769 PolarHBondContact O-N 3.03Å; H765-S773 WeakPolarHBondContact CB-OG 3.42Å; H765-S773 PolarHBondContact ND1-OG 3.16Å
766W96.6Very high97.8Very high103 Ų10336.9 Ų36.939%0.3920%0.195SC..Hα-helixtrans-58.2-39.5173.4-179.183.2000112.1V294 T366 G405 G406 Y407 Y764V294-W766 HydrophobicContact CB-CH2 3.54Å; V294-W766 HydrophobicContact CB-CZ2 4.26Å; V294-W766 HydrophobicContact CB-CZ3 3.74Å; V294-W766 HydrophobicContact CG1-CE3 4.49Å; V294-W766 HydrophobicContact CG1-CH2 3.65Å; V294-W766 HydrophobicContact CG1-CZ2 3.85Å; V294-W766 HydrophobicContact CG1-CZ3 3.99Å; V294-W766 HydrophobicContact CG2-CE3 4.22Å; V294-W766 HydrophobicContact CG2-CH2 3.96Å; V294-W766 HydrophobicContact CG2-CZ3 3.59Å; T366-W766 HydrophobicContact CG2-CB 4.19Å; G405-W766 VanDerWaalsContact C-CD1 3.42Å; G406-W766 WeakPolarHBondContact CA-O 3.43Å; Y407-W766 PolarHBondContact N-O 2.85Å; Y764-W766 PolarHBondContact O-N 2.89Å
767S96.2Very high97.9Very high38 Ų3835 Ų3527%0.26618%0.175SC..Hα-helixtrans-94.6-25-177.759.60000114.5P290 Y407 Y764 H765P290-S767 WeakPolarHBondContact CB-O 3.35Å; Y407-S767 WeakPolarHBondContact CD2-O 3.47Å; Y764-S767 PolarHBondContact O-N 3.26Å; Y764-S767 VanDerWaalsContact O-N 3.1Å; Y764-S767 PolarHBondContact O-OG 2.9Å; Y764-S767 VanDerWaalsContact O-OG 3.1Å; H765-S767 VanDerWaalsContact C-N 3.27Å; H765-S767 PolarHBondContact O-N 3.4Å
768V96.6Very high97.9Very high54 Ų5441 Ų4133%0.32720%0.196SC..Hα-helixtrans-132.113.6-173.4-620000115Y764Y764-V768 WeakPolarHBondContact O-CG2 3.33Å; Y764-V768 PolarHBondContact O-N 2.93Å
769G97.1Very high98Very high0 Ų037.5 Ų37.50%018%0.181CC..G310 helixtrans67.9-152.5177.600000113.7Y407 H765 K771 G772Y407-G769 WeakPolarHBondContact O-CA 3.11Å; H765-G769 WeakPolarHBondContact CA-O 3.42Å; H765-G769 VanDerWaalsContact CB-O 3.3Å; H765-G769 WeakPolarHBondContact CB-O 3.3Å; H765-G769 VanDerWaalsContact O-CA 3.29Å; H765-G769 WeakPolarHBondContact O-CA 3.29Å; H765-G769 PolarHBondContact O-N 3.03Å; G769-K771 PolarHBondContact O-N 3.06Å; G769-G772 PolarHBondContact O-N 3.03Å
770G97.6Very high98Very high0 Ų035.7 Ų35.70%017%0.171CC..G310 helixtrans-54.8-29.4-177.200000114.1A374 H378 E606 G772 S773A374-G770 VanDerWaalsContact CB-O 3.23Å; A374-G770 WeakPolarHBondContact CB-O 3.44Å; H378-G770 VanDerWaalsContact CD2-C 3.44Å; E606-G770 WeakPolarHBondContact OE2-CA 3.45Å; E606-G770 PolarHBondContact OE2-N 3.4Å; E606-G770 VanDerWaalsContact OE2-N 3.17Å; G770-G772 PolarHBondContact O-N 3.33Å; G770-G772 VanDerWaalsContact O-N 3.16Å; G770-S773 PolarHBondContact O-N 3.02Å
771K98.1Very high98Very high150 Ų15040.8 Ų40.865%0.65219%0.189SC*.G310 helixtrans-55.6-34.8176-170.8177.5179.5-178.60112.4H378 G769 S773 V774H378-K771 PolarHBondContact NE2-N 3.32Å; G769-K771 PolarHBondContact O-N 3.06Å; K771-S773 PolarHBondContact O-N 3.32Å; K771-V774 WeakPolarHBondContact O-CG2 3.49Å
772G97.9Very high98Very high12 Ų1245.5 Ų45.512%0.12421%0.211CC..G310 helixtrans-76.1-3.2-179.400000115Y764 G769 G770Y764-G772 PolarHBondContact N-O 2.94Å; G769-G772 PolarHBondContact O-N 3.03Å; G770-G772 PolarHBondContact O-N 3.33Å; G770-G772 VanDerWaalsContact O-N 3.16Å
773S98.4Very high97.9Very high1 Ų144 Ų441%0.00720%0.201CC..G310 helixtrans-125.113.5180-82.90000113.3G370 A374 H765 G770 K771 D775 L776 A777G370-S773 WeakPolarHBondContact O-CB 3.41Å; A374-S773 VanDerWaalsContact CB-C 3.5Å; A374-S773 WeakPolarHBondContact CB-O 3.39Å; H765-S773 WeakPolarHBondContact CB-OG 3.42Å; H765-S773 PolarHBondContact ND1-OG 3.16Å; G770-S773 PolarHBondContact O-N 3.02Å; K771-S773 PolarHBondContact O-N 3.32Å; S773-D775 VanDerWaalsContact C-N 3.33Å; S773-D775 PolarHBondContact O-N 2.92Å; S773-L776 WeakPolarHBondContact O-CB 3.35Å; S773-L776 PolarHBondContact O-N 2.97Å; S773-A777 WeakPolarHBondContact O-CB 3.22Å; S773-A777 PolarHBondContact O-N 2.64Å
774V98.7Very high97.8Very high20 Ų2044.3 Ų44.312%0.12120%0.204CC..Hα-helixtrans-60.3-41.3179.9171.60000112.2A374 H378 L379 K771 A777 R778A374-V774 HydrophobicContact CB-CG2 4.47Å; H378-V774 HydrophobicContact CB-CG2 3.65Å; L379-V774 HydrophobicContact CD2-CG1 4.09Å; K771-V774 WeakPolarHBondContact O-CG2 3.49Å; V774-A777 WeakPolarHBondContact O-CB 3.2Å; V774-A777 PolarHBondContact O-N 3.2Å; V774-R778 WeakPolarHBondContact O-CG 3.24Å; V774-R778 PolarHBondContact O-N 3.44Å
775D98.6Very high97.6Very high94 Ų9444.2 Ų44.250%0.50322%0.216SC..Hα-helixtrans-70.3-36.7179.3-66.1-28.8000111.7V761 S773 A777 R778 A779V761-D775 HydrophobicContact CG1-CB 3.66Å; S773-D775 VanDerWaalsContact C-N 3.33Å; S773-D775 PolarHBondContact O-N 2.92Å; D775-A777 VanDerWaalsContact C-N 3.33Å; D775-A777 PolarHBondContact O-N 3.33Å; D775-R778 PolarHBondContact O-N 2.85Å; D775-R778 IonicContact OD1-CZ 3.21Å; D775-R778 IonicContact OD1-NH1 2.86Å; D775-R778 PolarHBondContact OD1-NH1 3.04Å; D775-A779 PolarHBondContact O-N 3.17Å
776L98.8Very high97.2Very high1 Ų149.2 Ų49.21%0.00524%0.238CC..Hα-helixtrans-60.7-44.4170.6178.465.8000110.7V367 L371 V674 V731 A733 S773 R778 A779 V780V367-L776 HydrophobicContact CG1-CD2 3.79Å; L371-L776 HydrophobicContact CB-CD2 4.25Å; L371-L776 HydrophobicContact CD1-CD2 4.31Å; L371-L776 HydrophobicContact CD1-CG 4.15Å; V674-L776 HydrophobicContact CG1-CD1 4.28Å; V674-L776 HydrophobicContact CG1-CD2 4.41Å; V731-L776 HydrophobicContact CG1-CD1 3.71Å; A733-L776 HydrophobicContact CB-CD1 3.89Å; A733-L776 HydrophobicContact CB-CD2 3.83Å; S773-L776 WeakPolarHBondContact O-CB 3.35Å; S773-L776 PolarHBondContact O-N 2.97Å; L776-R778 VanDerWaalsContact C-N 3.32Å; L776-R778 PolarHBondContact O-N 3.21Å; L776-A779 PolarHBondContact O-N 2.95Å; L776-V780 HydrophobicContact CD1-CG2 4.24Å; L776-V780 HydrophobicContact CG-CG2 4.38Å; L776-V780 WeakPolarHBondContact O-CB 3.4Å; L776-V780 VanDerWaalsContact O-CG2 3.3Å; L776-V780 WeakPolarHBondContact O-CG2 3.23Å; L776-V780 PolarHBondContact O-N 2.78Å
777A98.8Very high96.5Very high0 Ų055.6 Ų55.60%026%0.261CS..Hα-helixtrans-62.1-38.3178.400000112.4L371 A374 L375 L379 S773 V774 D775 R781L371-A777 HydrophobicContact CD1-CB 3.85Å; A374-A777 HydrophobicContact CB-CB 3.78Å; L375-A777 HydrophobicContact CD2-CB 3.82Å; L375-A777 HydrophobicContact CG-CB 3.89Å; L379-A777 HydrophobicContact CD1-CB 3.61Å; S773-A777 WeakPolarHBondContact O-CB 3.22Å; S773-A777 PolarHBondContact O-N 2.64Å; V774-A777 WeakPolarHBondContact O-CB 3.2Å; V774-A777 PolarHBondContact O-N 3.2Å; D775-A777 VanDerWaalsContact C-N 3.33Å; D775-A777 PolarHBondContact O-N 3.33Å; A777-R781 VanDerWaalsContact O-CG 3.29Å; A777-R781 WeakPolarHBondContact O-CG 3.29Å; A777-R781 PolarHBondContact O-N 3.03Å
778R98.7Very high95.9Very high136 Ų13655.1 Ų55.151%0.51326%0.258SS..Hα-helixtrans-64.2-48.3173.1-71171.5-179.4147.5-3.8111.7L379 V774 D775 L776 V780 R781 E782L379-R778 HydrophobicContact CD1-CG 4.28Å; V774-R778 WeakPolarHBondContact O-CG 3.24Å; V774-R778 PolarHBondContact O-N 3.44Å; D775-R778 PolarHBondContact O-N 2.85Å; D775-R778 IonicContact OD1-CZ 3.21Å; D775-R778 IonicContact OD1-NH1 2.86Å; D775-R778 PolarHBondContact OD1-NH1 3.04Å; L776-R778 VanDerWaalsContact C-N 3.32Å; L776-R778 PolarHBondContact O-N 3.21Å; R778-V780 VanDerWaalsContact C-N 3.32Å; R778-V780 PolarHBondContact O-N 3.34Å; R778-R781 PolarHBondContact O-N 2.83Å; R778-E782 PolarHBondContact O-N 2.96Å
779A98.6Very high95.6Very high3 Ų362.8 Ų62.83%0.02528%0.281CS..Hα-helixtrans-60.2-41.717800000112V731 D759 V761 D775 L776 E782 A783V731-A779 HydrophobicContact CG1-CB 3.94Å; D759-A779 HydrophobicContact CB-CB 4.09Å; D759-A779 WeakPolarHBondContact OD2-CB 3.5Å; V761-A779 HydrophobicContact CG2-CB 4.01Å; D775-A779 PolarHBondContact O-N 3.17Å; L776-A779 PolarHBondContact O-N 2.95Å; A779-E782 PolarHBondContact O-N 3.19Å; A779-A783 WeakPolarHBondContact O-CB 3.43Å; A779-A783 PolarHBondContact O-N 3Å
780V98.6Very high95.6Very high0 Ų064.9 Ų64.90%029%0.291CS..Hα-helixtrans-64.2-43.5175.7168.80000111.5V350 L371 F642 V672 V674 L776 R778 E782 A783 A784V350-V780 HydrophobicContact CG1-CG1 4.16Å; V350-V780 HydrophobicContact CG2-CG1 3.79Å; L371-V780 HydrophobicContact CD1-CB 4.47Å; L371-V780 HydrophobicContact CD1-CG2 4.24Å; L371-V780 HydrophobicContact CD2-CG2 4.15Å; F642-V780 HydrophobicContact CD1-CG1 4.46Å; F642-V780 HydrophobicContact CE1-CG1 4.32Å; V672-V780 HydrophobicContact CG1-CG1 4.48Å; V674-V780 HydrophobicContact CG2-CG2 3.57Å; L776-V780 HydrophobicContact CD1-CG2 4.24Å; L776-V780 HydrophobicContact CG-CG2 4.38Å; L776-V780 WeakPolarHBondContact O-CB 3.4Å; L776-V780 VanDerWaalsContact O-CG2 3.3Å; L776-V780 WeakPolarHBondContact O-CG2 3.23Å; L776-V780 PolarHBondContact O-N 2.78Å; R778-V780 VanDerWaalsContact C-N 3.32Å; R778-V780 PolarHBondContact O-N 3.34Å; V780-E782 VanDerWaalsContact C-N 3.33Å; V780-E782 PolarHBondContact O-N 2.87Å; V780-A783 PolarHBondContact O-N 3.36Å; V780-A784 VanDerWaalsContact O-CB 3.25Å; V780-A784 WeakPolarHBondContact O-CB 3.35Å; V780-A784 PolarHBondContact O-N 3.49Å
781R97.9Very high95.5Very high113 Ų11370.5 Ų70.543%0.42632%0.317SS..Hα-helixtrans-61.3-42.2176-75.7178.766-165.9-1.2111.9L375 F642 A777 R778 A784 S785L375-R781 HydrophobicContact CD2-CG 3.88Å; F642-R781 HydrophobicContact CE1-CG 4.29Å; F642-R781 HydrophobicContact CE2-CG 3.99Å; F642-R781 HydrophobicContact CZ-CB 4.3Å; F642-R781 HydrophobicContact CZ-CG 3.69Å; A777-R781 VanDerWaalsContact O-CG 3.29Å; A777-R781 WeakPolarHBondContact O-CG 3.29Å; A777-R781 PolarHBondContact O-N 3.03Å; R778-R781 PolarHBondContact O-N 2.83Å; R781-A784 PolarHBondContact O-N 3.34Å; R781-S785 PolarHBondContact O-N 3.36Å
782E97.9Very high95.5Very high111 Ų11166.9 Ų66.952%0.51930%0.301SS..Hα-helixtrans-66.1-45.9177.5-166.5-177.4163.500111.4F758 R778 A779 V780 A784 S785F758-E782 HydrophobicContact CE1-CB 4.16Å; F758-E782 HydrophobicContact CE1-CG 4.11Å; F758-E782 HydrophobicContact CZ-CB 4.41Å; F758-E782 HydrophobicContact CZ-CG 3.92Å; R778-E782 PolarHBondContact O-N 2.96Å; A779-E782 PolarHBondContact O-N 3.19Å; V780-E782 VanDerWaalsContact C-N 3.33Å; V780-E782 PolarHBondContact O-N 2.87Å; E782-A784 VanDerWaalsContact C-N 3.3Å; E782-A784 PolarHBondContact O-N 3.44Å; E782-S785 WeakPolarHBondContact O-CB 3.49Å; E782-S785 PolarHBondContact O-N 3.07Å; E782-S785 PolarHBondContact O-OG 3.3Å
783A97.3Very high95.5Very high0 Ų067.7 Ų67.70%030%0.303CS..Hα-helixtrans-60.2-40.4175.800000111.8V672 P729 V731 F758 A779 V780 S785 K786V672-A783 HydrophobicContact CG1-CB 3.97Å; V672-A783 HydrophobicContact CG2-CB 3.71Å; P729-A783 HydrophobicContact CB-CB 4.32Å; V731-A783 HydrophobicContact CG2-CB 3.81Å; F758-A783 HydrophobicContact CD1-CB 3.71Å; F758-A783 HydrophobicContact CE1-CB 3.96Å; F758-A783 HydrophobicContact CG-CB 4.09Å; A779-A783 WeakPolarHBondContact O-CB 3.43Å; A779-A783 PolarHBondContact O-N 3Å; V780-A783 PolarHBondContact O-N 3.36Å; A783-S785 PolarHBondContact O-N 3.44Å; A783-K786 WeakPolarHBondContact O-CB 3.46Å; A783-K786 PolarHBondContact O-N 3.4Å
784A96.5Very high95.5Very high6 Ų668.5 Ų68.55%0.0531%0.306CS..Hα-helixtrans-67.8-20.4-179.800000113.6K348 F642 N671 V672 V780 R781 E782 K786K348-A784 HydrophobicContact CG-CB 4.47Å; F642-A784 HydrophobicContact CE1-CB 3.72Å; F642-A784 HydrophobicContact CZ-CB 4.12Å; N671-A784 HydrophobicContact CB-CB 4.24Å; V672-A784 HydrophobicContact CG2-CB 3.6Å; V780-A784 VanDerWaalsContact O-CB 3.25Å; V780-A784 WeakPolarHBondContact O-CB 3.35Å; V780-A784 PolarHBondContact O-N 3.49Å; R781-A784 PolarHBondContact O-N 3.34Å; E782-A784 VanDerWaalsContact C-N 3.3Å; E782-A784 PolarHBondContact O-N 3.44Å; A784-K786 PolarHBondContact O-N 3.47Å
785S93.3Very high95.5Very high86 Ų8672 Ų7260%0.60132%0.324SS*.THydrogen-bonded Turntrans-73.2-16.4173.278.20000113R781 E782 A783R781-S785 PolarHBondContact O-N 3.36Å; E782-S785 WeakPolarHBondContact O-CB 3.49Å; E782-S785 PolarHBondContact O-N 3.07Å; E782-S785 PolarHBondContact O-OG 3.3Å; A783-S785 PolarHBondContact O-N 3.44Å
786K89.2Confident95.4Very high106 Ų10668.8 Ų68.846%0.46131%0.307SS..SBendtrans-83.6147.4177.9-53.5-58.2-178.6-174.10110.4F758 A783 A784 S788F758-K786 HydrophobicContact CE2-CG 4Å; A783-K786 WeakPolarHBondContact O-CB 3.46Å; A783-K786 PolarHBondContact O-N 3.4Å; A784-K786 PolarHBondContact O-N 3.47Å; K786-S788 PolarHBondContact O-N 2.92Å
787R81.2Confident95.4Very high236 Ų23674.4 Ų74.489%0.89133%0.333SS*.PPolyproline II helixtrans-74.1120.2177.7-165.9175.8-176.61801.9110.2
788S83.6Confident95.3Very high29 Ų2976.8 Ų76.820%0.20335%0.348CS..PPolyproline II helixtrans-69.1140.5169.7178.80000110.5K786 F790K786-S788 PolarHBondContact O-N 2.92Å; S788-F790 PolarHBondContact OG-N 3.38Å
789R90.6Very high95.3Very high214 Ų21474 Ų7481%0.80835%0.348SS*.  trans-11051.8173-66.1-174.9-177.8-1781109.4G727 Q791G727-R789 PolarHBondContact O-N 2.9Å; R789-Q791 PolarHBondContact O-N 3.28Å
790F96.6Very high95.3Very high45 Ų4574 Ų7420%0.19735%0.347CS..  trans-57.1134-171.5179.9-102.6000112.6F659 C663 V669 F726 V728 S788 F792F659-F790 HydrophobicContact CB-CE2 4.08Å; F659-F790 HydrophobicContact CB-CZ 4.21Å; F659-F790 AromaticContact CD1-CE2 3.75Å; F659-F790 HydrophobicContact CD1-CE2 3.75Å; F659-F790 HydrophobicContact CD1-CZ 4.41Å; F659-F790 HydrophobicContact CE1-CE2 4.36Å; F659-F790 AromaticContact CG-CE2 3.91Å; F659-F790 HydrophobicContact CG-CE2 3.91Å; F659-F790 HydrophobicContact CG-CZ 4.5Å; C663-F790 HydrophobicContact CB-CZ 4.23Å; V669-F790 HydrophobicContact CG1-CB 3.43Å; V669-F790 VanDerWaalsContact CG1-CB 3.43Å; V669-F790 HydrophobicContact CG1-CD1 3.93Å; V669-F790 HydrophobicContact CG1-CD2 4.03Å; V669-F790 HydrophobicContact CG1-CG 3.51Å; V669-F790 HydrophobicContact CG2-CD1 3.77Å; V669-F790 HydrophobicContact CG2-CE1 4.16Å; V669-F790 HydrophobicContact CG2-CG 4.25Å; F726-F790 HydrophobicContact CB-CD2 4.42Å; F726-F790 HydrophobicContact CB-CE2 4.32Å; F726-F790 HydrophobicContact CD1-CE2 4.38Å; F726-F790 VanDerWaalsContact O-CA 3.22Å; F726-F790 WeakPolarHBondContact O-CA 3.38Å; V728-F790 HydrophobicContact CG2-CD2 3.84Å; S788-F790 PolarHBondContact OG-N 3.38Å; F790-F792 AromaticContact CE1-CD1 3.86Å; F790-F792 HydrophobicContact CE1-CD1 3.86Å; F790-F792 AromaticContact CE1-CE1 3.53Å; F790-F792 HydrophobicContact CE1-CE1 3.53Å; F790-F792 HydrophobicContact CE1-CE2 4.27Å; F790-F792 HydrophobicContact CE1-CG 4.36Å; F790-F792 AromaticContact CE1-CZ 3.75Å; F790-F792 HydrophobicContact CE1-CZ 3.75Å; F790-F792 AromaticContact CZ-CD1 3.78Å; F790-F792 HydrophobicContact CZ-CD1 3.78Å; F790-F792 AromaticContact CZ-CE1 3.64Å; F790-F792 HydrophobicContact CZ-CE1 3.64Å; F790-F792 HydrophobicContact CZ-CZ 4.34Å
791Q96.8Very high95.3Very high117 Ų11775.1 Ų75.155%0.54735%0.354SS..  trans-142.2149.3171.464.1-177.410.200110.3L725 F726 R789L725-Q791 PolarHBondContact O-NE2 2.91Å; F726-Q791 VanDerWaalsContact CD1-O 3.29Å; F726-Q791 WeakPolarHBondContact CD1-O 3.31Å; F726-Q791 PolarHBondContact O-N 3.47Å; F726-Q791 VanDerWaalsContact O-N 3.13Å; R789-Q791 PolarHBondContact O-N 3.28Å
792F98.1Very high95.3Very high74 Ų7472.8 Ų72.833%0.32535%0.35SS..  trans-77.2156.8171-60.3-69000111F659 C663 R664 F790 Y794F659-F792 WeakPolarHBondContact O-CD1 3.38Å; F659-F792 VanDerWaalsContact O-CE1 3.23Å; F659-F792 WeakPolarHBondContact O-CE1 3.23Å; C663-F792 HydrophobicContact CB-CE1 4.22Å; R664-F792 HydrophobicContact CB-CE1 4.5Å; R664-F792 HydrophobicContact CG-CD1 3.97Å; R664-F792 HydrophobicContact CG-CE1 3.36Å; R664-F792 HydrophobicContact CG-CE2 4.29Å; R664-F792 HydrophobicContact CG-CZ 3.56Å; R664-F792 VanDerWaalsContact CZ-CG 3.43Å; R664-F792 VanDerWaalsContact NH2-CG 3.29Å; F790-F792 AromaticContact CE1-CD1 3.86Å; F790-F792 HydrophobicContact CE1-CD1 3.86Å; F790-F792 AromaticContact CE1-CE1 3.53Å; F790-F792 HydrophobicContact CE1-CE1 3.53Å; F790-F792 HydrophobicContact CE1-CE2 4.27Å; F790-F792 HydrophobicContact CE1-CG 4.36Å; F790-F792 AromaticContact CE1-CZ 3.75Å; F790-F792 HydrophobicContact CE1-CZ 3.75Å; F790-F792 AromaticContact CZ-CD1 3.78Å; F790-F792 HydrophobicContact CZ-CD1 3.78Å; F790-F792 AromaticContact CZ-CE1 3.64Å; F790-F792 HydrophobicContact CZ-CE1 3.64Å; F790-F792 HydrophobicContact CZ-CZ 4.34Å; F792-Y794 VanDerWaalsContact C-N 3.33Å; F792-Y794 PolarHBondContact O-N 2.94Å
793L98.1Very high95.3Very high30 Ų3067.5 Ų67.516%0.15733%0.325CS..SBendtrans-70.5-30-177.5-177.263.5000113N660 L725 F726 T806 I807 A810 V811N660-L793 WeakPolarHBondContact ND2-CB 3.23Å; N660-L793 PolarHBondContact OD1-N 3.43Å; L725-L793 HydrophobicContact CD1-CD1 4.15Å; F726-L793 HydrophobicContact CE1-CB 3.84Å; F726-L793 HydrophobicContact CZ-CB 3.96Å; L793-T806 HydrophobicContact CD1-CG2 4.45Å; L793-T806 HydrophobicContact CD2-CG2 4.45Å; L793-T806 HydrophobicContact CG-CG2 4.02Å; L793-I807 HydrophobicContact CD2-CG1 3.96Å; L793-A810 HydrophobicContact CD1-CB 4.04Å; L793-V811 HydrophobicContact CD2-CG2 3.59Å
794Y98.1Very high95.4Very high18 Ų1867.5 Ų67.57%0.07133%0.325CS..SBendtrans-149.6157.9-178.452-95.4000110.6N660 R664 F792 K803 I807 I840N660-Y794 HydrophobicContact CB-CE1 4.3Å; R664-Y794 PolarHBondContact NH2-O 3.31Å; F792-Y794 VanDerWaalsContact C-N 3.33Å; F792-Y794 PolarHBondContact O-N 2.94Å; Y794-K803 HydrophobicContact CD2-CB 4.19Å; Y794-K803 HydrophobicContact CD2-CD 3.69Å; Y794-K803 HydrophobicContact CD2-CG 3.64Å; Y794-K803 HydrophobicContact CE2-CB 4.21Å; Y794-K803 HydrophobicContact CE2-CD 3.65Å; Y794-K803 HydrophobicContact CE2-CG 3.94Å; Y794-K803 HydrophobicContact CG-CB 4.47Å; Y794-K803 HydrophobicContact CG-CG 4.18Å; Y794-I807 HydrophobicContact CD1-CG1 4.24Å; Y794-I807 HydrophobicContact CE1-CD1 3.73Å; Y794-I807 HydrophobicContact CE1-CG1 3.74Å; Y794-I840 PolarHBondContact OH-N 3.32Å
795D97.9Very high95.5Very high94 Ų9470.4 Ų70.450%0.50334%0.335SS..  trans-77.9140.5165.9-167.4-32000109.3Q797 V798D795-Q797 PolarHBondContact O-N 3.26Å; D795-Q797 WeakPolarHBondContact OD1-CG 3.47Å; D795-Q797 PolarHBondContact OD1-N 3.2Å; D795-V798 HydrophobicContact CB-CG1 4.33Å; D795-V798 WeakPolarHBondContact O-CG2 3.01Å; D795-V798 PolarHBondContact O-N 3.05Å
796V97.5Very high95.7Very high25 Ų2568.5 Ų68.515%0.15232%0.32CS..THydrogen-bonded Turntrans-68.9-21.1178.6-64.50000113.2V798 K803 N837V796-V798 VanDerWaalsContact C-N 3.28Å; V796-V798 PolarHBondContact O-N 3.46Å; V796-K803 PolarHBondContact O-NZ 3.49Å; V796-N837 WeakPolarHBondContact CB-O 3.46Å; V796-N837 WeakPolarHBondContact O-CA 3.27Å
797Q97.6Very high96.2Very high119 Ų11963.5 Ų63.556%0.55630%0.298SS*.THydrogen-bonded Turntrans-71.9-16.9179-59.8-58-39.800113.7D795 N837D795-Q797 PolarHBondContact O-N 3.26Å; D795-Q797 WeakPolarHBondContact OD1-CG 3.47Å; D795-Q797 PolarHBondContact OD1-N 3.2Å; Q797-N837 PolarHBondContact OE1-ND2 2.64Å; Q797-N837 PolarHBondContact OE1-OD1 3.41Å
798V97.8Very high97Very high51 Ų5152.2 Ų52.231%0.30926%0.255SS..SBendtrans-72.3151176.7-520000110.4D795 V796 D802 K803D795-V798 HydrophobicContact CB-CG1 4.33Å; D795-V798 WeakPolarHBondContact O-CG2 3.01Å; D795-V798 PolarHBondContact O-N 3.05Å; V796-V798 VanDerWaalsContact C-N 3.28Å; V796-V798 PolarHBondContact O-N 3.46Å; V798-D802 HydrophobicContact CG2-CB 4.47Å; V798-K803 HydrophobicContact CG2-CD 4.09Å; V798-K803 HydrophobicContact CG2-CG 3.31Å; V798-K803 WeakPolarHBondContact O-CE 3.29Å; V798-K803 PolarHBondContact O-NZ 2.78Å
799P98.3Very high97.7Very high78 Ų7855 Ų5551%0.50627%0.265SS..  trans-52.7149.6-178-28.235.6000113.6V801 D802 K803P799-V801 VanDerWaalsContact C-N 3.27Å; P799-V801 PolarHBondContact O-N 2.64Å; P799-D802 WeakPolarHBondContact CD-OD2 3.46Å; P799-D802 WeakPolarHBondContact CG-OD2 3.3Å; P799-D802 PolarHBondContact O-N 3.13Å; P799-K803 PolarHBondContact O-N 3.09Å
800I98.4Very high98Very high3 Ų346.4 Ų46.42%0.01524%0.24CC..Hα-helixtrans-50.9-48.8-179.8-65.2170.4000111D802 K803 I804 I827 I840 I878I800-D802 VanDerWaalsContact C-N 3.28Å; I800-D802 PolarHBondContact O-N 3.25Å; I800-K803 PolarHBondContact O-N 2.94Å; I800-I804 HydrophobicContact CG2-CD1 3.88Å; I800-I804 HydrophobicContact CG2-CG1 4.45Å; I800-I804 VanDerWaalsContact O-CG1 3.29Å; I800-I804 WeakPolarHBondContact O-CG1 3.44Å; I800-I804 PolarHBondContact O-N 3.35Å; I800-I804 VanDerWaalsContact O-N 3.08Å; I800-I827 HydrophobicContact CB-CG2 4.05Å; I800-I827 HydrophobicContact CD1-CG2 4.18Å; I800-I827 HydrophobicContact CG2-CD1 4.28Å; I800-I827 HydrophobicContact CG2-CG1 4.03Å; I800-I827 HydrophobicContact CG2-CG2 4.27Å; I800-I840 HydrophobicContact CG2-CD1 4.02Å; I800-I878 HydrophobicContact CD1-CD1 3.5Å; I800-I878 VanDerWaalsContact CD1-CD1 3.5Å; I800-I878 HydrophobicContact CG1-CD1 4.03Å
801V98.3Very high98.1Very high23 Ų2344.2 Ų44.214%0.13923%0.23CC..Hα-helixtrans-57.2-42.1-179.7177.70000111.7P799 I804 R805 I817 L819 I827P799-V801 VanDerWaalsContact C-N 3.27Å; P799-V801 PolarHBondContact O-N 2.64Å; V801-I804 PolarHBondContact O-N 2.82Å; V801-R805 WeakPolarHBondContact O-CB 3.19Å; V801-R805 PolarHBondContact O-N 2.93Å; V801-I817 HydrophobicContact CG1-CD1 4.01Å; V801-L819 HydrophobicContact CG1-CD1 3.99Å; V801-L819 HydrophobicContact CG2-CD1 3.79Å; V801-I827 HydrophobicContact CG2-CD1 4.04Å; V801-I827 HydrophobicContact CG2-CG2 4.12Å
802D98.4Very high98.1Very high63 Ų6338.7 Ų38.734%0.33720%0.204SC..Hα-helixtrans-71.1-37.8-177.7-62.4-29.5000111.2V798 P799 I800 I804 R805 T806V798-D802 HydrophobicContact CG2-CB 4.47Å; P799-D802 WeakPolarHBondContact CD-OD2 3.46Å; P799-D802 WeakPolarHBondContact CG-OD2 3.3Å; P799-D802 PolarHBondContact O-N 3.13Å; I800-D802 VanDerWaalsContact C-N 3.28Å; I800-D802 PolarHBondContact O-N 3.25Å; D802-I804 PolarHBondContact O-N 2.77Å; D802-R805 PolarHBondContact O-N 3.36Å; D802-R805 IonicContact OD1-CZ 2.69Å; D802-R805 IonicContact OD1-NH1 3.86Å; D802-R805 PolarHBondContact OD1-NH1 3.34Å; D802-T806 WeakPolarHBondContact O-CB 3.38Å; D802-T806 PolarHBondContact O-N 3.37Å; D802-T806 PolarHBondContact O-OG1 3.22Å
803K98.5Very high98Very high0 Ų036.5 Ų36.50%020%0.202CC..Hα-helixtrans-59.4-45.7172.2-65.6-178.7-77.6-161.20111.9Y794 V796 V798 P799 I800 R805 T806 I807 G836 L838 I840Y794-K803 HydrophobicContact CD2-CB 4.19Å; Y794-K803 HydrophobicContact CD2-CD 3.69Å; Y794-K803 HydrophobicContact CD2-CG 3.64Å; Y794-K803 HydrophobicContact CE2-CB 4.21Å; Y794-K803 HydrophobicContact CE2-CD 3.65Å; Y794-K803 HydrophobicContact CE2-CG 3.94Å; Y794-K803 HydrophobicContact CG-CB 4.47Å; Y794-K803 HydrophobicContact CG-CG 4.18Å; V796-K803 PolarHBondContact O-NZ 3.49Å; V798-K803 HydrophobicContact CG2-CD 4.09Å; V798-K803 HydrophobicContact CG2-CG 3.31Å; V798-K803 WeakPolarHBondContact O-CE 3.29Å; V798-K803 PolarHBondContact O-NZ 2.78Å; P799-K803 PolarHBondContact O-N 3.09Å; I800-K803 PolarHBondContact O-N 2.94Å; K803-R805 VanDerWaalsContact C-N 3.33Å; K803-R805 PolarHBondContact O-N 3.42Å; K803-T806 PolarHBondContact O-N 2.99Å; K803-I807 WeakPolarHBondContact O-CG1 3.41Å; K803-I807 PolarHBondContact O-N 3.42Å; K803-I807 VanDerWaalsContact O-N 3.12Å; K803-G836 PolarHBondContact NZ-O 3.3Å; K803-L838 PolarHBondContact NZ-O 2.92Å; K803-I840 HydrophobicContact CB-CD1 4.33Å; K803-I840 HydrophobicContact CB-CG1 3.47Å; K803-I840 VanDerWaalsContact CB-CG1 3.47Å; K803-I840 HydrophobicContact CD-CG1 4.27Å; K803-I840 HydrophobicContact CG-CG1 4.47Å
804I98.6Very high98Very high0 Ų035.4 Ų35.40%020%0.198CC..Hα-helixtrans-60.5-46.3176.8-60.7170.5000109.8I800 V801 D802 I807 A808 I817 I827 I840 M842 I866 P880I800-I804 HydrophobicContact CG2-CD1 3.88Å; I800-I804 HydrophobicContact CG2-CG1 4.45Å; I800-I804 VanDerWaalsContact O-CG1 3.29Å; I800-I804 WeakPolarHBondContact O-CG1 3.44Å; I800-I804 PolarHBondContact O-N 3.35Å; I800-I804 VanDerWaalsContact O-N 3.08Å; V801-I804 PolarHBondContact O-N 2.82Å; D802-I804 PolarHBondContact O-N 2.77Å; I804-I807 PolarHBondContact O-N 2.93Å; I804-A808 WeakPolarHBondContact O-CB 3.27Å; I804-A808 PolarHBondContact O-N 2.69Å; I804-I817 HydrophobicContact CB-CD1 4.11Å; I804-I817 HydrophobicContact CG2-CD1 3.9Å; I804-I817 HydrophobicContact CG2-CG2 4.26Å; I804-I827 HydrophobicContact CD1-CD1 4.36Å; I804-I840 HydrophobicContact CG1-CD1 4.26Å; I804-I840 HydrophobicContact CG1-CG1 4.24Å; I804-I840 HydrophobicContact CG1-CG2 4.04Å; I804-M842 HydrophobicContact CG2-CE 4.06Å; I804-M842 HydrophobicContact CG2-SD 3.97Å; I804-I866 HydrophobicContact CG2-CD1 3.93Å; I804-I866 HydrophobicContact CG2-CG1 4.23Å; I804-P880 HydrophobicContact CD1-CB 4.14Å; I804-P880 HydrophobicContact CD1-CG 3.48Å; I804-P880 VanDerWaalsContact CD1-CG 3.48Å; I804-P880 HydrophobicContact CG1-CG 3.65Å; I804-P880 HydrophobicContact CG2-CG 4.48Å
805R98.6Very high98Very high67 Ų6741.3 Ų41.325%0.25322%0.224SC..Hα-helixtrans-63.2-42.8179.2-169.7-178.8-63.5105.60.1112.1V801 D802 K803 I807 A808 Q809 D816 I817V801-R805 WeakPolarHBondContact O-CB 3.19Å; V801-R805 PolarHBondContact O-N 2.93Å; D802-R805 PolarHBondContact O-N 3.36Å; D802-R805 IonicContact OD1-CZ 2.69Å; D802-R805 IonicContact OD1-NH1 3.86Å; D802-R805 PolarHBondContact OD1-NH1 3.34Å; K803-R805 VanDerWaalsContact C-N 3.33Å; K803-R805 PolarHBondContact O-N 3.42Å; R805-I807 PolarHBondContact O-N 3.44Å; R805-A808 PolarHBondContact O-N 2.93Å; R805-Q809 HydrophobicContact CG-CG 4.26Å; R805-Q809 WeakPolarHBondContact O-CB 3.04Å; R805-Q809 WeakPolarHBondContact O-CG 3.38Å; R805-Q809 PolarHBondContact O-N 2.86Å; R805-D816 WeakPolarHBondContact CD-OD1 3.47Å; R805-D816 IonicContact NE-OD1 3.89Å; R805-D816 PolarHBondContact NE-OD1 3.05Å; R805-I817 HydrophobicContact CB-CD1 4.05Å; R805-I817 HydrophobicContact CB-CG1 4.38Å
806T98.6Very high98Very high47 Ų4739.8 Ų39.829%0.28822%0.216SC..Hα-helixtrans-58.4-46.7176.4-60.10000111.3L793 D802 K803 Q809 A810L793-T806 HydrophobicContact CD1-CG2 4.45Å; L793-T806 HydrophobicContact CD2-CG2 4.45Å; L793-T806 HydrophobicContact CG-CG2 4.02Å; D802-T806 WeakPolarHBondContact O-CB 3.38Å; D802-T806 PolarHBondContact O-N 3.37Å; D802-T806 PolarHBondContact O-OG1 3.22Å; K803-T806 PolarHBondContact O-N 2.99Å; T806-Q809 PolarHBondContact O-N 3.23Å; T806-A810 VanDerWaalsContact O-CB 3.24Å; T806-A810 WeakPolarHBondContact O-CB 3.43Å; T806-A810 PolarHBondContact O-N 3.34Å
807I98.4Very high98Very high0 Ų039.4 Ų39.40%021%0.213CC..Iπ-helixtrans-62-47.8176.1-62165.2000110L793 Y794 K803 I804 R805 Q809 V811 Y812 I840 M842L793-I807 HydrophobicContact CD2-CG1 3.96Å; Y794-I807 HydrophobicContact CD1-CG1 4.24Å; Y794-I807 HydrophobicContact CE1-CD1 3.73Å; Y794-I807 HydrophobicContact CE1-CG1 3.74Å; K803-I807 WeakPolarHBondContact O-CG1 3.41Å; K803-I807 PolarHBondContact O-N 3.42Å; K803-I807 VanDerWaalsContact O-N 3.12Å; I804-I807 PolarHBondContact O-N 2.93Å; R805-I807 PolarHBondContact O-N 3.44Å; I807-Q809 VanDerWaalsContact C-N 3.33Å; I807-Q809 PolarHBondContact O-N 2.97Å; I807-V811 HydrophobicContact CG2-CB 4.24Å; I807-V811 HydrophobicContact CG2-CG2 4.16Å; I807-V811 WeakPolarHBondContact O-CA 3.31Å; I807-V811 VanDerWaalsContact O-CB 3.22Å; I807-V811 WeakPolarHBondContact O-CB 3.4Å; I807-V811 PolarHBondContact O-N 3.32Å; I807-Y812 HydrophobicContact CG2-CE1 4.32Å; I807-Y812 HydrophobicContact CG2-CE2 3.74Å; I807-Y812 WeakPolarHBondContact CG2-OH 3.24Å; I807-Y812 PolarHBondContact O-N 3.14Å; I807-I840 HydrophobicContact CD1-CB 3.73Å; I807-I840 HydrophobicContact CD1-CG2 3.74Å; I807-M842 HydrophobicContact CB-CG 4.36Å; I807-M842 HydrophobicContact CD1-CG 4.01Å; I807-M842 HydrophobicContact CG2-CG 3.8Å
808A98.3Very high98.1Very high0 Ų039.7 Ų39.70%021%0.214CC..Iπ-helixtrans-58.1-44-178.600000112.7I804 R805 Y812 G813 A814 I817 L864I804-A808 WeakPolarHBondContact O-CB 3.27Å; I804-A808 PolarHBondContact O-N 2.69Å; R805-A808 PolarHBondContact O-N 2.93Å; A808-Y812 HydrophobicContact CB-CD2 4.44Å; A808-Y812 CarbonylContact O-C 3.58Å; A808-Y812 VanDerWaalsContact O-CB 3.32Å; A808-Y812 WeakPolarHBondContact O-CB 3.42Å; A808-Y812 PolarHBondContact O-N 3.25Å; A808-G813 PolarHBondContact O-N 3.32Å; A808-G813 VanDerWaalsContact O-N 3.13Å; A808-A814 HydrophobicContact CB-CB 4.01Å; A808-A814 VanDerWaalsContact O-CB 3.31Å; A808-A814 WeakPolarHBondContact O-CB 3.31Å; A808-A814 PolarHBondContact O-N 2.81Å; A808-I817 HydrophobicContact CB-CG2 3.48Å; A808-I817 VanDerWaalsContact CB-CG2 3.48Å; A808-L864 HydrophobicContact CB-CB 4.5Å; A808-L864 HydrophobicContact CB-CD2 3.85Å
809Q97.8Very high98.1Very high88 Ų8839.3 Ų39.341%0.41121%0.21SC..Iπ-helixtrans-78.4-52.6-177.6-69.3176-28.100112R805 T806 I807 G813 K815R805-Q809 HydrophobicContact CG-CG 4.26Å; R805-Q809 WeakPolarHBondContact O-CB 3.04Å; R805-Q809 WeakPolarHBondContact O-CG 3.38Å; R805-Q809 PolarHBondContact O-N 2.86Å; T806-Q809 PolarHBondContact O-N 3.23Å; I807-Q809 VanDerWaalsContact C-N 3.33Å; I807-Q809 PolarHBondContact O-N 2.97Å; Q809-G813 WeakPolarHBondContact O-CA 3.47Å; Q809-G813 PolarHBondContact O-N 2.99Å; Q809-K815 PolarHBondContact NE2-O 3.39Å
810A97.6Very high98Very high32 Ų3237 Ų3726%0.26420%0.196SC..Iπ-helixtrans-72.9-44.4-173.300000112.3K718 L725 L793 T806K718-A810 PolarHBondContact NZ-O 3.24Å; L725-A810 HydrophobicContact CD1-CB 4.13Å; L793-A810 HydrophobicContact CD1-CB 4.04Å; T806-A810 VanDerWaalsContact O-CB 3.24Å; T806-A810 WeakPolarHBondContact O-CB 3.43Å; T806-A810 PolarHBondContact O-N 3.34Å
811V97.6Very high97.9Very high0 Ų042.6 Ų42.60%023%0.232CC..Iπ-helixtrans-85.9-54.4-175.2-173.70000110.3D652 E656 K718 I722 L793 I807D652-V811 HydrophobicContact CB-CG1 3.94Å; E656-V811 HydrophobicContact CG-CG2 4.1Å; K718-V811 WeakPolarHBondContact CE-O 3.35Å; K718-V811 PolarHBondContact NZ-O 3.44Å; I722-V811 HydrophobicContact CD1-CG1 3.84Å; I722-V811 WeakPolarHBondContact CD1-O 3.29Å; I722-V811 HydrophobicContact CG1-CG1 4.11Å; I722-V811 HydrophobicContact CG2-CG1 4.03Å; L793-V811 HydrophobicContact CD2-CG2 3.59Å; I807-V811 HydrophobicContact CG2-CB 4.24Å; I807-V811 HydrophobicContact CG2-CG2 4.16Å; I807-V811 WeakPolarHBondContact O-CA 3.31Å; I807-V811 VanDerWaalsContact O-CB 3.22Å; I807-V811 WeakPolarHBondContact O-CB 3.4Å; I807-V811 PolarHBondContact O-N 3.32Å
812Y97.8Very high97.7Very high0 Ų046.6 Ų46.60%025%0.25CC..Iπ-helixtrans-85.6-19.6-172.4-50.1-32.4000114.2D652 I807 A808 A814 M842 K844 L849 L864D652-Y812 HydrophobicContact CB-CD1 4.33Å; D652-Y812 HydrophobicContact CB-CE1 4.18Å; D652-Y812 VanDerWaalsContact O-CE1 3.29Å; D652-Y812 WeakPolarHBondContact O-CE1 3.25Å; I807-Y812 HydrophobicContact CG2-CE1 4.32Å; I807-Y812 HydrophobicContact CG2-CE2 3.74Å; I807-Y812 WeakPolarHBondContact CG2-OH 3.24Å; I807-Y812 PolarHBondContact O-N 3.14Å; A808-Y812 HydrophobicContact CB-CD2 4.44Å; A808-Y812 CarbonylContact O-C 3.58Å; A808-Y812 VanDerWaalsContact O-CB 3.32Å; A808-Y812 WeakPolarHBondContact O-CB 3.42Å; A808-Y812 PolarHBondContact O-N 3.25Å; Y812-A814 VanDerWaalsContact C-N 3.28Å; Y812-M842 HydrophobicContact CE2-CB 4.36Å; Y812-M842 HydrophobicContact CE2-CE 4.12Å; Y812-M842 HydrophobicContact CE2-CG 4.14Å; Y812-M842 WeakPolarHBondContact OH-CB 3.39Å; Y812-M842 WeakPolarHBondContact OH-CG 3.47Å; Y812-K844 HydrophobicContact CD1-CD 4.34Å; Y812-K844 HydrophobicContact CD2-CD 4.11Å; Y812-K844 HydrophobicContact CE1-CD 3.9Å; Y812-K844 HydrophobicContact CE2-CD 3.64Å; Y812-K844 HydrophobicContact CG-CD 4.48Å; Y812-L849 WeakPolarHBondContact CB-O 3.47Å; Y812-L864 HydrophobicContact CD2-CD2 3.99Å; Y812-L864 HydrophobicContact CE2-CD2 4.22Å
813G97Very high97.6Very high28 Ų2843.6 Ų43.629%0.28923%0.234SC..  trans7223.7-172.600000113.1A808 Q809A808-G813 PolarHBondContact O-N 3.32Å; A808-G813 VanDerWaalsContact O-N 3.13Å; Q809-G813 WeakPolarHBondContact O-CA 3.47Å; Q809-G813 PolarHBondContact O-N 2.99Å
814A97.7Very high97.6Very high8 Ų846.8 Ų46.87%0.06625%0.248CC..  trans-66.8149.9171.900000110.2A808 Y812 F862 L864A808-A814 HydrophobicContact CB-CB 4.01Å; A808-A814 VanDerWaalsContact O-CB 3.31Å; A808-A814 WeakPolarHBondContact O-CB 3.31Å; A808-A814 PolarHBondContact O-N 2.81Å; Y812-A814 VanDerWaalsContact C-N 3.28Å; A814-F862 WeakPolarHBondContact CA-O 3.3Å; A814-F862 HydrophobicContact CB-CD2 4.01Å; A814-F862 HydrophobicContact CB-CE2 3.47Å; A814-F862 VanDerWaalsContact CB-CE2 3.47Å; A814-F862 HydrophobicContact CB-CZ 3.78Å; A814-L864 HydrophobicContact CB-CB 4.35Å
815K97.9Very high97.4Very high141 Ų14149.1 Ų49.161%0.61327%0.268SS*.SBendtrans-69.4-48.8173.6-177.9176.9177.8179.40110.9Q809 F862Q809-K815 PolarHBondContact NE2-O 3.39Å; K815-F862 PolarHBondContact N-O 2.92Å
816D97.8Very high97.3Very high63 Ų6347.8 Ų47.834%0.33726%0.264SS..EExtended strand (participates in β ladder)trans-159.7-176176.7-153.1-13000109.8R805 I863 L864R805-D816 WeakPolarHBondContact CD-OD1 3.47Å; R805-D816 IonicContact NE-OD1 3.89Å; R805-D816 PolarHBondContact NE-OD1 3.05Å; D816-I863 WeakPolarHBondContact O-CA 3.34Å; D816-L864 PolarHBondContact O-N 3.4Å
817I98.1Very high97.2Very high16 Ų1645.7 Ų45.78%0.08225%0.251CS..EExtended strand (participates in β ladder)trans-111.3153.9173.666.3174.1000110.6V801 I804 R805 A808 L819 L864 I866V801-I817 HydrophobicContact CG1-CD1 4.01Å; I804-I817 HydrophobicContact CB-CD1 4.11Å; I804-I817 HydrophobicContact CG2-CD1 3.9Å; I804-I817 HydrophobicContact CG2-CG2 4.26Å; R805-I817 HydrophobicContact CB-CD1 4.05Å; R805-I817 HydrophobicContact CB-CG1 4.38Å; A808-I817 HydrophobicContact CB-CG2 3.48Å; A808-I817 VanDerWaalsContact CB-CG2 3.48Å; I817-L819 HydrophobicContact CD1-CD2 4.36Å; I817-L864 WeakPolarHBondContact CA-O 3.26Å; I817-L864 HydrophobicContact CG2-CB 4.23Å; I817-I866 HydrophobicContact CB-CG1 4.43Å
818E97.8Very high97.1Very high125 Ų12549.2 Ų49.258%0.58427%0.27SS*.EExtended strand (participates in β ladder)trans-123.9121.4172.3179.1178.2-156.800108.8I863 L864 I866E818-I863 HydrophobicContact CB-CG2 3.69Å; E818-L864 PolarHBondContact N-O 3.3Å; E818-I866 PolarHBondContact O-N 3.15Å
819L97.8Very high96.9Very high44 Ų4453.4 Ų53.423%0.2329%0.286CS..EExtended strand (participates in β ladder)trans-95.7130.2-179.1-62.4170.8000110.1V801 I817 I827 I866V801-L819 HydrophobicContact CG1-CD1 3.99Å; V801-L819 HydrophobicContact CG2-CD1 3.79Å; I817-L819 HydrophobicContact CD1-CD2 4.36Å; L819-I827 HydrophobicContact CD1-CD1 4.32Å; L819-I827 HydrophobicContact CD2-CD1 3.97Å; L819-I866 HydrophobicContact CD2-CB 3.77Å; L819-I866 HydrophobicContact CD2-CG1 3.87Å; L819-I866 HydrophobicContact CD2-CG2 4Å
820S97.2Very high96.8Very high30 Ų3050.3 Ų50.321%0.2127%0.27CS..  trans-67.4156.7166.581.20000110.8E822 A823 Q824 I866 S867S820-E822 PolarHBondContact O-N 3.39Å; S820-E822 PolarHBondContact OG-N 2.89Å; S820-A823 PolarHBondContact O-N 3.03Å; S820-A823 VanDerWaalsContact O-N 3.16Å; S820-A823 WeakPolarHBondContact OG-CB 3.48Å; S820-A823 PolarHBondContact OG-N 2.79Å; S820-Q824 PolarHBondContact O-N 2.9Å; S820-I866 PolarHBondContact N-O 2.89Å; S820-S867 PolarHBondContact OG-O 3.49Å
821P97.3Very high96.7Very high119 Ų11952.3 Ų52.377%0.77328%0.279SS*.Hα-helixtrans-57.1-34.9173.1-26.335.3000113.1A825P821-A825 WeakPolarHBondContact O-CB 3.48Å; P821-A825 PolarHBondContact O-N 3.08Å
822E94.3Very high96.6Very high108 Ų10860.2 Ų60.251%0.50532%0.316SS..Hα-helixtrans-66.9-44.7176.4-176.5179.5178.200111.7S820 A825 K826S820-E822 PolarHBondContact O-N 3.39Å; S820-E822 PolarHBondContact OG-N 2.89Å; E822-A825 PolarHBondContact O-N 3.28Å; E822-K826 PolarHBondContact O-N 2.84Å; E822-K826 VanDerWaalsContact O-N 3.11Å; E822-K826 WeakPolarHBondContact OE1-CE 3.36Å; E822-K826 IonicContact OE1-NZ 2.75Å; E822-K826 PolarHBondContact OE1-NZ 3.1Å
823A96.2Very high96.5Very high0 Ų061.6 Ų61.60%032%0.323CS..Hα-helixtrans-60.7-46.4176.500000111S820 K826 I827 I866 V869S820-A823 PolarHBondContact O-N 3.03Å; S820-A823 VanDerWaalsContact O-N 3.16Å; S820-A823 WeakPolarHBondContact OG-CB 3.48Å; S820-A823 PolarHBondContact OG-N 2.79Å; A823-K826 PolarHBondContact O-N 3.38Å; A823-I827 VanDerWaalsContact O-CG1 3.27Å; A823-I827 WeakPolarHBondContact O-CG1 3.32Å; A823-I827 PolarHBondContact O-N 2.89Å; A823-I866 HydrophobicContact CB-CG2 4.1Å; A823-V869 HydrophobicContact CB-CG2 3.95Å
824Q97.6Very high96.4Very high66 Ų6663 Ų6331%0.30834%0.338SS..Hα-helixtrans-60.4-47.7178-173.662.258.100111.6S820 K826 I827 D828S820-Q824 PolarHBondContact O-N 2.9Å; Q824-K826 VanDerWaalsContact C-N 3.3Å; Q824-K826 PolarHBondContact O-N 3.3Å; Q824-I827 WeakPolarHBondContact O-CB 2.88Å; Q824-I827 PolarHBondContact O-N 3.06Å; Q824-I827 VanDerWaalsContact O-N 3.15Å; Q824-D828 PolarHBondContact NE2-OD1 3.1Å; Q824-D828 VanDerWaalsContact O-CG 3.24Å; Q824-D828 PolarHBondContact O-N 3.36Å
825A95.1Very high96.4Very high50 Ų5064.2 Ų64.241%0.41334%0.342SS..Hα-helixtrans-60.6-37179.600000113P821 E822 R829P821-A825 WeakPolarHBondContact O-CB 3.48Å; P821-A825 PolarHBondContact O-N 3.08Å; E822-A825 PolarHBondContact O-N 3.28Å; A825-R829 WeakPolarHBondContact O-CB 3.27Å; A825-R829 PolarHBondContact O-N 3.1Å; A825-R829 VanDerWaalsContact O-N 3.11Å
826K95.1Very high96.4Very high38 Ų3858.1 Ų58.117%0.16532%0.318CS..Hα-helixtrans-72.7-38.1175.4-71.8179.4-170167.70112.2E822 A823 Q824 D828 R829 Y830 D868 V869E822-K826 PolarHBondContact O-N 2.84Å; E822-K826 VanDerWaalsContact O-N 3.11Å; E822-K826 WeakPolarHBondContact OE1-CE 3.36Å; E822-K826 IonicContact OE1-NZ 2.75Å; E822-K826 PolarHBondContact OE1-NZ 3.1Å; A823-K826 PolarHBondContact O-N 3.38Å; Q824-K826 VanDerWaalsContact C-N 3.3Å; Q824-K826 PolarHBondContact O-N 3.3Å; K826-D828 VanDerWaalsContact C-N 3.34Å; K826-R829 PolarHBondContact O-N 2.88Å; K826-Y830 HydrophobicContact CB-CE2 4.09Å; K826-Y830 WeakPolarHBondContact O-CD2 3.37Å; K826-Y830 VanDerWaalsContact O-CG 3.24Å; K826-Y830 PolarHBondContact O-N 3.04Å; K826-D868 VanDerWaalsContact CD-OD1 3.26Å; K826-D868 WeakPolarHBondContact CD-OD1 3.45Å; K826-D868 WeakPolarHBondContact CE-OD1 3.26Å; K826-D868 VanDerWaalsContact NZ-CG 3.35Å; K826-D868 IonicContact NZ-OD1 2.72Å; K826-D868 PolarHBondContact NZ-OD1 3.17Å; K826-D868 IonicContact NZ-OD2 2.66Å; K826-D868 PolarHBondContact NZ-OD2 3.17Å; K826-V869 WeakPolarHBondContact CD-O 3.45Å
827I97.1Very high96.4Very high4 Ų458.8 Ų58.82%0.02132%0.322CS..Hα-helixtrans-58.4-47172.9-73.4170.6000110.7I800 V801 I804 L819 A823 Q824 R829 Y830 T831 V869I800-I827 HydrophobicContact CB-CG2 4.05Å; I800-I827 HydrophobicContact CD1-CG2 4.18Å; I800-I827 HydrophobicContact CG2-CD1 4.28Å; I800-I827 HydrophobicContact CG2-CG1 4.03Å; I800-I827 HydrophobicContact CG2-CG2 4.27Å; V801-I827 HydrophobicContact CG2-CD1 4.04Å; V801-I827 HydrophobicContact CG2-CG2 4.12Å; I804-I827 HydrophobicContact CD1-CD1 4.36Å; L819-I827 HydrophobicContact CD1-CD1 4.32Å; L819-I827 HydrophobicContact CD2-CD1 3.97Å; A823-I827 VanDerWaalsContact O-CG1 3.27Å; A823-I827 WeakPolarHBondContact O-CG1 3.32Å; A823-I827 PolarHBondContact O-N 2.89Å; Q824-I827 WeakPolarHBondContact O-CB 2.88Å; Q824-I827 PolarHBondContact O-N 3.06Å; Q824-I827 VanDerWaalsContact O-N 3.15Å; I827-R829 VanDerWaalsContact C-N 3.33Å; I827-R829 PolarHBondContact O-N 3.21Å; I827-Y830 PolarHBondContact O-N 3.19Å; I827-T831 WeakPolarHBondContact O-CB 3.41Å; I827-T831 PolarHBondContact O-N 3Å; I827-T831 PolarHBondContact O-OG1 2.88Å; I827-V869 HydrophobicContact CD1-CG2 4.02Å; I827-V869 HydrophobicContact CG1-CB 4.33Å; I827-V869 HydrophobicContact CG1-CG1 4.3Å; I827-V869 HydrophobicContact CG1-CG2 3.94Å
828D96.1Very high96.4Very high73 Ų7359.7 Ų59.739%0.3933%0.327SS..Hα-helixtrans-62.1-44.1179.4-63.1-19.3000110.5Q824 K826 T831 Q832Q824-D828 PolarHBondContact NE2-OD1 3.1Å; Q824-D828 VanDerWaalsContact O-CG 3.24Å; Q824-D828 PolarHBondContact O-N 3.36Å; K826-D828 VanDerWaalsContact C-N 3.34Å; D828-T831 WeakPolarHBondContact O-CB 3.22Å; D828-T831 PolarHBondContact O-N 2.78Å; D828-Q832 VanDerWaalsContact O-CG 3.3Å; D828-Q832 WeakPolarHBondContact O-CG 3.46Å; D828-Q832 PolarHBondContact O-N 2.75Å
829R93.8Very high96.4Very high89 Ų8954.3 Ų54.334%0.33630%0.303SS..Hα-helixtrans-60-49.6175.2-173.8-176.3-55.3149.65.6112.4A825 K826 I827 T831 Q832 Q833A825-R829 WeakPolarHBondContact O-CB 3.27Å; A825-R829 PolarHBondContact O-N 3.1Å; A825-R829 VanDerWaalsContact O-N 3.11Å; K826-R829 PolarHBondContact O-N 2.88Å; I827-R829 VanDerWaalsContact C-N 3.33Å; I827-R829 PolarHBondContact O-N 3.21Å; R829-T831 PolarHBondContact O-N 3.15Å; R829-Q832 PolarHBondContact O-N 3.49Å; R829-Q833 HydrophobicContact CG-CG 4.39Å; R829-Q833 WeakPolarHBondContact O-CB 3.48Å; R829-Q833 VanDerWaalsContact O-CG 3.3Å; R829-Q833 WeakPolarHBondContact O-CG 3.46Å; R829-Q833 PolarHBondContact O-N 2.86Å
830Y95.8Very high96.4Very high22 Ų2252.2 Ų52.29%0.08629%0.292CS..Hα-helixtrans-62.6-34.7178.9-65.7-36.5000111.8K826 I827 Q833 G834 F835 V869 A871 I878K826-Y830 HydrophobicContact CB-CE2 4.09Å; K826-Y830 WeakPolarHBondContact O-CD2 3.37Å; K826-Y830 VanDerWaalsContact O-CG 3.24Å; K826-Y830 PolarHBondContact O-N 3.04Å; I827-Y830 PolarHBondContact O-N 3.19Å; Y830-Q833 PolarHBondContact O-N 3.03Å; Y830-G834 PolarHBondContact O-N 2.68Å; Y830-F835 HydrophobicContact CD1-CD2 4.2Å; Y830-F835 WeakPolarHBondContact O-CA 3.35Å; Y830-F835 WeakPolarHBondContact O-CB 3.37Å; Y830-F835 PolarHBondContact O-N 2.96Å; Y830-V869 HydrophobicContact CD2-CG1 4.28Å; Y830-V869 HydrophobicContact CE2-CG1 4.04Å; Y830-A871 HydrophobicContact CD1-CB 4.33Å; Y830-A871 HydrophobicContact CD2-CB 4.46Å; Y830-A871 HydrophobicContact CE1-CB 3.9Å; Y830-A871 HydrophobicContact CE2-CB 4.04Å; Y830-A871 PolarHBondContact OH-N 3.2Å; Y830-I878 HydrophobicContact CD2-CD1 4.42Å
831T96.3Very high96.4Very high74 Ų7450.8 Ų50.845%0.45428%0.282SS..Hα-helixtrans-65.8-47.1174.1-54.90000111I827 D828 R829 Q833 G834I827-T831 WeakPolarHBondContact O-CB 3.41Å; I827-T831 PolarHBondContact O-N 3Å; I827-T831 PolarHBondContact O-OG1 2.88Å; D828-T831 WeakPolarHBondContact O-CB 3.22Å; D828-T831 PolarHBondContact O-N 2.78Å; R829-T831 PolarHBondContact O-N 3.15Å; T831-Q833 VanDerWaalsContact C-N 3.3Å; T831-Q833 PolarHBondContact O-N 3.03Å; T831-G834 PolarHBondContact O-N 2.75Å
832Q95.2Very high96.4Very high167 Ų16745.1 Ų45.178%0.7825%0.245SC*.Hα-helixtrans-61.9-36176.4-71.7170.46.800112.8D828 R829 G834D828-Q832 VanDerWaalsContact O-CG 3.3Å; D828-Q832 WeakPolarHBondContact O-CG 3.46Å; D828-Q832 PolarHBondContact O-N 2.75Å; R829-Q832 PolarHBondContact O-N 3.49Å; Q832-G834 PolarHBondContact O-N 3.26Å
833Q94.7Very high96.5Very high28 Ų2840 Ų4013%0.13122%0.221CC..THydrogen-bonded Turntrans-770.2176.3-68.7177.7-20.100113.4S571 G575 R829 Y830 T831 F835S571-Q833 PolarHBondContact OG-NE2 3.08Å; G575-Q833 PolarHBondContact O-NE2 3.45Å; R829-Q833 HydrophobicContact CG-CG 4.39Å; R829-Q833 WeakPolarHBondContact O-CB 3.48Å; R829-Q833 VanDerWaalsContact O-CG 3.3Å; R829-Q833 WeakPolarHBondContact O-CG 3.46Å; R829-Q833 PolarHBondContact O-N 2.86Å; Y830-Q833 PolarHBondContact O-N 3.03Å; T831-Q833 VanDerWaalsContact C-N 3.3Å; T831-Q833 PolarHBondContact O-N 3.03Å; Q833-F835 HydrophobicContact CB-CD2 3.67Å; Q833-F835 HydrophobicContact CB-CE2 3.57Å; Q833-F835 HydrophobicContact CB-CZ 4.33Å; Q833-F835 HydrophobicContact CG-CE2 4.46Å
834G96.2Very high96.4Very high59 Ų5940 Ų4061%0.60822%0.221SC*.THydrogen-bonded Turntrans84.111.1177.100000115Y830 T831 Q832 G836Y830-G834 PolarHBondContact O-N 2.68Å; T831-G834 PolarHBondContact O-N 2.75Å; Q832-G834 PolarHBondContact O-N 3.26Å; G834-G836 VanDerWaalsContact C-N 3.32Å
835F97.4Very high96.2Very high33 Ų3337.9 Ų37.915%0.14521%0.212CC..  trans-90.45179-52.4-46.3000113.5V568 P577 Y830 Q833 N837 L838 I873 I878V568-F835 HydrophobicContact CG2-CE2 4.35Å; V568-F835 HydrophobicContact CG2-CZ 3.98Å; P577-F835 HydrophobicContact CB-CE2 4.43Å; P577-F835 HydrophobicContact CB-CZ 4.3Å; P577-F835 HydrophobicContact CG-CZ 4.28Å; Y830-F835 HydrophobicContact CD1-CD2 4.2Å; Y830-F835 WeakPolarHBondContact O-CA 3.35Å; Y830-F835 WeakPolarHBondContact O-CB 3.37Å; Y830-F835 PolarHBondContact O-N 2.96Å; Q833-F835 HydrophobicContact CB-CD2 3.67Å; Q833-F835 HydrophobicContact CB-CE2 3.57Å; Q833-F835 HydrophobicContact CB-CZ 4.33Å; Q833-F835 HydrophobicContact CG-CE2 4.46Å; F835-N837 PolarHBondContact O-N 2.7Å; F835-N837 VanDerWaalsContact O-N 3.08Å; F835-L838 HydrophobicContact CB-CD1 4.03Å; F835-L838 HydrophobicContact CB-CG 4.47Å; F835-L838 WeakPolarHBondContact O-CG 3.15Å; F835-L838 PolarHBondContact O-N 2.67Å; F835-L838 VanDerWaalsContact O-N 3.15Å; F835-I873 HydrophobicContact CB-CD1 4.01Å; F835-I873 HydrophobicContact CD1-CD1 3.78Å; F835-I873 HydrophobicContact CD1-CG2 4.11Å; F835-I873 HydrophobicContact CD2-CD1 3.63Å; F835-I873 HydrophobicContact CD2-CG1 4.31Å; F835-I873 HydrophobicContact CE1-CD1 4.13Å; F835-I873 HydrophobicContact CE1-CG1 4.38Å; F835-I873 HydrophobicContact CE1-CG2 3.64Å; F835-I873 HydrophobicContact CE2-CD1 3.98Å; F835-I873 HydrophobicContact CE2-CG1 4.15Å; F835-I873 HydrophobicContact CG-CD1 3.53Å; F835-I873 HydrophobicContact CG-CG1 4.49Å; F835-I873 HydrophobicContact CZ-CD1 4.22Å; F835-I873 HydrophobicContact CZ-CG1 4.19Å; F835-I873 HydrophobicContact CZ-CG2 4Å; F835-I878 WeakPolarHBondContact O-CD1 3.33Å
836G97.2Very high96.1Very high12 Ų1238 Ų3812%0.12421%0.205CC..THydrogen-bonded Turntrans-54.5-28.3179.700000114.2K803 G834 L838K803-G836 PolarHBondContact NZ-O 3.3Å; G834-G836 VanDerWaalsContact C-N 3.32Å; G836-L838 PolarHBondContact O-N 3.47Å
837N97.6Very high96Very high78 Ų7838.5 Ų38.542%0.41721%0.209SC..THydrogen-bonded Turntrans-9110.8-176.2-66.7-13.4000114.4V796 Q797 F835V796-N837 WeakPolarHBondContact CB-O 3.46Å; V796-N837 WeakPolarHBondContact O-CA 3.27Å; Q797-N837 PolarHBondContact OE1-ND2 2.64Å; Q797-N837 PolarHBondContact OE1-OD1 3.41Å; F835-N837 PolarHBondContact O-N 2.7Å; F835-N837 VanDerWaalsContact O-N 3.08Å
838L98.3Very high96Very high34 Ų3438.3 Ų38.318%0.17821%0.208CC..SBendtrans-80.6147.7175.9-66.6-178.1000111.7K803 F835 G836 I873 I878K803-L838 PolarHBondContact NZ-O 2.92Å; F835-L838 HydrophobicContact CB-CD1 4.03Å; F835-L838 HydrophobicContact CB-CG 4.47Å; F835-L838 WeakPolarHBondContact O-CG 3.15Å; F835-L838 PolarHBondContact O-N 2.67Å; F835-L838 VanDerWaalsContact O-N 3.15Å; G836-L838 PolarHBondContact O-N 3.47Å; L838-I873 HydrophobicContact CD1-CD1 3.6Å; L838-I878 HydrophobicContact CB-CD1 4.36Å; L838-I878 HydrophobicContact CB-CG1 4.1Å; L838-I878 HydrophobicContact CD1-CG1 4.28Å
839P98.3Very high96Very high13 Ų1334.9 Ų34.98%0.08419%0.19CC..PPolyproline II helixtrans-66.1163.2171.829.1-36000112.1N660 I661 G876 F877 I878N660-P839 WeakPolarHBondContact O-CB 3.22Å; I661-P839 HydrophobicContact CG1-CB 4.21Å; I661-P839 HydrophobicContact CG1-CG 4.32Å; P839-G876 WeakPolarHBondContact CD-O 3.48Å; P839-G876 VanDerWaalsContact CG-O 3.28Å; P839-G876 WeakPolarHBondContact CG-O 3.35Å; P839-F877 HydrophobicContact CG-CB 4.1Å; P839-F877 WeakPolarHBondContact O-CA 3.48Å; P839-F877 WeakPolarHBondContact O-CB 3.42Å; P839-I878 PolarHBondContact O-N 3.35Å
840I98.4Very high96.1Very high0 Ų030.7 Ų30.70%017%0.174CC..BIsolated β-bridgetrans-102.5133.9-177-57.2-54.4000110.6Y794 I800 K803 I804 I807 M842 I878 P880Y794-I840 PolarHBondContact OH-N 3.32Å; I800-I840 HydrophobicContact CG2-CD1 4.02Å; K803-I840 HydrophobicContact CB-CD1 4.33Å; K803-I840 HydrophobicContact CB-CG1 3.47Å; K803-I840 VanDerWaalsContact CB-CG1 3.47Å; K803-I840 HydrophobicContact CD-CG1 4.27Å; K803-I840 HydrophobicContact CG-CG1 4.47Å; I804-I840 HydrophobicContact CG1-CD1 4.26Å; I804-I840 HydrophobicContact CG1-CG1 4.24Å; I804-I840 HydrophobicContact CG1-CG2 4.04Å; I807-I840 HydrophobicContact CD1-CB 3.73Å; I807-I840 HydrophobicContact CD1-CG2 3.74Å; I840-M842 HydrophobicContact CG2-CG 4.1Å; I840-M842 HydrophobicContact CG2-SD 3.71Å; I840-I878 CarbonylContact C-O 3.57Å; I840-I878 VanDerWaalsContact CA-O 3.3Å; I840-I878 WeakPolarHBondContact CA-O 3.47Å; I840-I878 HydrophobicContact CD1-CB 4.09Å; I840-I878 HydrophobicContact CD1-CG2 4.37Å; I840-P880 HydrophobicContact CG2-CG 3.76Å
841C97.8Very high96.1Very high0 Ų032.2 Ų32.20%018%0.181CC..  trans-115.892.6172.9173.80000109.6A621 K657 I661 A843 F877 I878 Y879A621-C841 VanDerWaalsContact CA-SG 3.55Å; A621-C841 PolarHBondContact O-SG 3.45Å; K657-C841 PolarHBondContact NZ-SG 3.47Å; I661-C841 HydrophobicContact CD1-CB 3.65Å; C841-A843 PolarHBondContact O-N 3.15Å; C841-F877 HydrophobicContact CB-CB 4.47Å; C841-F877 HydrophobicContact CB-CD2 3.6Å; C841-F877 HydrophobicContact CB-CE2 4.06Å; C841-F877 HydrophobicContact CB-CG 4.13Å; C841-I878 PolarHBondContact N-O 3.05Å; C841-Y879 WeakPolarHBondContact O-CA 3.16Å; C841-Y879 WeakPolarHBondContact O-CB 3.36Å
842M97.1Very high96Very high0 Ų032.3 Ų32.30%018%0.177CC..  trans-65.4120.4-177.1-68.5-59.3-72.500112.6K657 I804 I807 Y812 I840 L864 I866 P880 V882K657-M842 WeakPolarHBondContact CE-O 3.4Å; K657-M842 PolarHBondContact NZ-O 2.93Å; I804-M842 HydrophobicContact CG2-CE 4.06Å; I804-M842 HydrophobicContact CG2-SD 3.97Å; I807-M842 HydrophobicContact CB-CG 4.36Å; I807-M842 HydrophobicContact CD1-CG 4.01Å; I807-M842 HydrophobicContact CG2-CG 3.8Å; Y812-M842 HydrophobicContact CE2-CB 4.36Å; Y812-M842 HydrophobicContact CE2-CE 4.12Å; Y812-M842 HydrophobicContact CE2-CG 4.14Å; Y812-M842 WeakPolarHBondContact OH-CB 3.39Å; Y812-M842 WeakPolarHBondContact OH-CG 3.47Å; I840-M842 HydrophobicContact CG2-CG 4.1Å; I840-M842 HydrophobicContact CG2-SD 3.71Å; M842-L864 HydrophobicContact CE-CD2 3.51Å; M842-I866 HydrophobicContact CE-CD1 4.07Å; M842-P880 HydrophobicContact SD-CB 4.09Å; M842-P880 HydrophobicContact SD-CG 3.75Å; M842-V882 HydrophobicContact CE-CG2 3.62Å
843A95.5Very high95.8Very high0 Ų026.7 Ų26.70%016%0.155CC..BIsolated β-bridgetrans-100.889.4176.600000110.6N619 I620 C841 P880 L881 V882N619-A843 WeakPolarHBondContact O-CA 3.38Å; N619-A843 WeakPolarHBondContact O-CB 3.49Å; I620-A843 HydrophobicContact CG2-CB 4.21Å; C841-A843 PolarHBondContact O-N 3.15Å; A843-P880 WeakPolarHBondContact CB-O 3.29Å; A843-P880 PolarHBondContact N-O 3.46Å; A843-L881 HydrophobicContact CB-CD2 3.81Å; A843-V882 PolarHBondContact O-N 2.91Å
844K94.1Very high95.8Very high0 Ų032.2 Ų32.20%019%0.185CC..  trans-128.2169.9-179.462.8173.4-106.651.60111.9N619 I653 Y812 H846 S848 L849 S850 V882 M885N619-K844 PolarHBondContact OD1-O 2.94Å; I653-K844 HydrophobicContact CD1-CG 3.94Å; I653-K844 HydrophobicContact CG1-CG 4.36Å; Y812-K844 HydrophobicContact CD1-CD 4.34Å; Y812-K844 HydrophobicContact CD2-CD 4.11Å; Y812-K844 HydrophobicContact CE1-CD 3.9Å; Y812-K844 HydrophobicContact CE2-CD 3.64Å; Y812-K844 HydrophobicContact CG-CD 4.48Å; K844-H846 PolarHBondContact O-N 3.34Å; K844-S848 WeakPolarHBondContact CE-O 3.41Å; K844-S848 PolarHBondContact NZ-O 3.09Å; K844-L849 VanDerWaalsContact CE-O 3.24Å; K844-L849 WeakPolarHBondContact CE-O 3.49Å; K844-S850 PolarHBondContact NZ-O 3.41Å; K844-V882 HydrophobicContact CB-CB 3.74Å; K844-V882 HydrophobicContact CB-CG1 4.12Å; K844-V882 HydrophobicContact CB-CG2 4.09Å; K844-M885 WeakPolarHBondContact O-CE 3.27Å
845T93.3Very high95.7Very high21 Ų2133.8 Ų33.813%0.12918%0.175CC..  trans-58.5138.3173.1-179.20000110.2L847 S850 P853 M885T845-L847 VanDerWaalsContact C-N 3.28Å; T845-L847 PolarHBondContact OG1-N 3.3Å; T845-S850 WeakPolarHBondContact CG2-O 3.5Å; T845-P853 HydrophobicContact CG2-CB 4.46Å; T845-M885 VanDerWaalsContact N-CE 3.26Å
846H92.6Very high95.6Very high54 Ų5434.6 Ų34.625%0.2518%0.179CC..THydrogen-bonded Turntrans-84.4-4.2177.258.1-82.6000113T356 P357 F649 I653 K844T356-H846 WeakPolarHBondContact CG2-O 3.38Å; P357-H846 VanDerWaalsContact CD-O 3.23Å; P357-H846 WeakPolarHBondContact CD-O 3.46Å; F649-H846 HydrophobicContact CB-CB 3.94Å; F649-H846 HydrophobicContact CD1-CB 3.36Å; F649-H846 AromaticContact CD1-CD2 3.66Å; F649-H846 AromaticContact CD1-CG 3.45Å; F649-H846 VanDerWaalsContact CD1-CG 3.45Å; F649-H846 HydrophobicContact CD2-CB 3.79Å; F649-H846 HydrophobicContact CE1-CB 3.69Å; F649-H846 AromaticContact CE1-CD2 3.62Å; F649-H846 AromaticContact CE1-CE1 4Å; F649-H846 AromaticContact CE1-CG 3.35Å; F649-H846 AromaticContact CE1-ND1 3.61Å; F649-H846 HydrophobicContact CE2-CB 4.09Å; F649-H846 HydrophobicContact CG-CB 3.42Å; F649-H846 VanDerWaalsContact CG-CB 3.42Å; F649-H846 HydrophobicContact CZ-CB 4.04Å; F649-H846 AromaticContact CZ-CG 3.86Å; F649-H846 AromaticContact CZ-ND1 3.78Å; I653-H846 HydrophobicContact CD1-CB 4.02Å; K844-H846 PolarHBondContact O-N 3.34Å
847L94.2Very high95.6Very high47 Ų4734.3 Ų34.325%0.24618%0.176CC..THydrogen-bonded Turntrans-92.2-1.7-170.8-61.5173.4000114.1T845 P853 K856T845-L847 VanDerWaalsContact C-N 3.28Å; T845-L847 PolarHBondContact OG1-N 3.3Å; L847-P853 HydrophobicContact CB-CB 3.89Å; L847-P853 HydrophobicContact CD1-CB 3.94Å; L847-K856 PolarHBondContact O-NZ 3.39Å
848S95.8Very high95.6Very high1 Ų132.7 Ų32.71%0.00717%0.169CC..SBendtrans-155.8152.9-179.3-179.30000109.6K844 S850 Q852 K855K844-S848 WeakPolarHBondContact CE-O 3.41Å; K844-S848 PolarHBondContact NZ-O 3.09Å; S848-S850 PolarHBondContact O-N 3.11Å; S848-S850 PolarHBondContact OG-N 3.03Å; S848-S850 PolarHBondContact OG-OG 3.23Å; S848-Q852 WeakPolarHBondContact CB-O 3.34Å; S848-Q852 PolarHBondContact OG-O 2.98Å; S848-K855 VanDerWaalsContact CB-O 3.27Å; S848-K855 WeakPolarHBondContact CB-O 3.46Å; S848-K855 PolarHBondContact OG-O 3.42Å
849L96.9Very high95.5Very high1 Ų131.8 Ų31.81%0.00517%0.165CC..SBendtrans-62.9-28.8165.2-71164.1000111.4D652 K718 I722 Y812 K844 V858D652-L849 HydrophobicContact CB-CD2 3.53Å; K718-L849 HydrophobicContact CB-CD1 4.44Å; K718-L849 HydrophobicContact CG-CD1 3.78Å; I722-L849 HydrophobicContact CD1-CD2 4.22Å; Y812-L849 WeakPolarHBondContact CB-O 3.47Å; K844-L849 VanDerWaalsContact CE-O 3.24Å; K844-L849 WeakPolarHBondContact CE-O 3.49Å; L849-V858 HydrophobicContact CD1-CB 4.43Å; L849-V858 HydrophobicContact CD1-CG1 4.18Å; L849-V858 HydrophobicContact CD1-CG2 4.27Å
850S95.9Very high95.3Very high0 Ų040.5 Ų40.50%020%0.196CC..SBendtrans-85.5-178.1176.379.40000112.7K844 T845 S848 Q852K844-S850 PolarHBondContact NZ-O 3.41Å; T845-S850 WeakPolarHBondContact CG2-O 3.5Å; S848-S850 PolarHBondContact O-N 3.11Å; S848-S850 PolarHBondContact OG-N 3.03Å; S848-S850 PolarHBondContact OG-OG 3.23Å; S850-Q852 PolarHBondContact O-N 3.23Å; S850-Q852 PolarHBondContact OG-N 3.2Å; S850-Q852 PolarHBondContact OG-O 2.93Å
851H94.5Very high95.1Very high54 Ų5447 Ų4725%0.2523%0.231CC..SBendtrans-77.1-6170.961.4-84.9000113.7I863 L864 P865 V882H851-I863 PolarHBondContact CE1-O 3.39Å; H851-I863 VanDerWaalsContact CE1-O 3.26Å; H851-I863 PolarHBondContact ND1-O 3.32Å; H851-L864 HydrophobicContact CB-CD1 4.08Å; H851-P865 HydrophobicContact CB-CG 4.49Å; H851-P865 WeakPolarHBondContact ND1-CD 3.42Å; H851-V882 HydrophobicContact CB-CG1 3.45Å; H851-V882 VanDerWaalsContact CB-CG1 3.45Å
852Q94.4Very high95Very high76 Ų7647.6 Ų47.636%0.35523%0.233SC..  trans-104.8111.8-175.1-63.7179.3-23.600110.3S848 S850 D854 K855S848-Q852 WeakPolarHBondContact CB-O 3.34Å; S848-Q852 PolarHBondContact OG-O 2.98Å; S850-Q852 PolarHBondContact O-N 3.23Å; S850-Q852 PolarHBondContact OG-N 3.2Å; S850-Q852 PolarHBondContact OG-O 2.93Å; Q852-D854 PolarHBondContact O-N 2.87Å; Q852-D854 VanDerWaalsContact O-N 3.17Å; Q852-K855 HydrophobicContact CB-CB 4.4Å; Q852-K855 HydrophobicContact CB-CD 4.24Å; Q852-K855 HydrophobicContact CB-CG 4.11Å; Q852-K855 PolarHBondContact O-N 2.98Å; Q852-K855 VanDerWaalsContact O-N 3.17Å
853P92.5Very high95Very high49 Ų4951.6 Ų51.632%0.31825%0.254SS..THydrogen-bonded Turntrans-62.2-27.4-170.923.9-34000114.2T845 L847 K856T845-P853 HydrophobicContact CG2-CB 4.46Å; L847-P853 HydrophobicContact CB-CB 3.89Å; L847-P853 HydrophobicContact CD1-CB 3.94Å; P853-K856 PolarHBondContact O-NZ 3.44Å
854D92.9Very high95.1Very high145 Ų14551.6 Ų51.678%0.77525%0.254SS*.THydrogen-bonded Turntrans-82.7-14.8-177.1-57.9-39.9000113.2Q852 K856Q852-D854 PolarHBondContact O-N 2.87Å; Q852-D854 VanDerWaalsContact O-N 3.17Å; D854-K856 PolarHBondContact O-N 3.21Å; D854-K856 VanDerWaalsContact O-N 3.1Å
855K94.7Very high95.3Very high92 Ų9253.6 Ų53.640%0.427%0.267SS..  trans-78.297.4176.7-75.7-166.6169.51630110.8S848 Q852 P859S848-K855 VanDerWaalsContact CB-O 3.27Å; S848-K855 WeakPolarHBondContact CB-O 3.46Å; S848-K855 PolarHBondContact OG-O 3.42Å; Q852-K855 HydrophobicContact CB-CB 4.4Å; Q852-K855 HydrophobicContact CB-CD 4.24Å; Q852-K855 HydrophobicContact CB-CG 4.11Å; Q852-K855 PolarHBondContact O-N 2.98Å; Q852-K855 VanDerWaalsContact O-N 3.17Å; K855-P859 HydrophobicContact CB-CB 4.38Å; K855-P859 HydrophobicContact CB-CG 3.79Å; K855-P859 HydrophobicContact CD-CB 4.35Å
856K95.6Very high95.5Very high49 Ų4952.7 Ų52.721%0.21326%0.261CS..  trans-84.6-176.5178.2-55.1-51.2-176-164.90112.8L847 P853 D854 V858L847-K856 PolarHBondContact O-NZ 3.39Å; P853-K856 PolarHBondContact O-NZ 3.44Å; D854-K856 PolarHBondContact O-N 3.21Å; D854-K856 VanDerWaalsContact O-N 3.1Å; K856-V858 PolarHBondContact O-N 3.14Å
857G96.4Very high95.6Very high7 Ų752.4 Ų52.47%0.07227%0.265CS..SBendtrans61.6-129.5-173.600000113.6H685 N715H685-G857 PolarHBondContact ND1-N 3.01Å; H685-G857 VanDerWaalsContact ND1-N 3.15Å; H685-G857 PolarHBondContact O-N 2.84Å; N715-G857 PolarHBondContact ND2-O 3.35Å
858V97.5Very high95.6Very high43 Ų4350.9 Ų50.926%0.26126%0.257SS..  trans-123.388176.7-174.70000109.4C714 K718 L849 K856C714-V858 HydrophobicContact CB-CG2 4.17Å; C714-V858 WeakPolarHBondContact O-CG2 3.34Å; K718-V858 HydrophobicContact CB-CG1 4.48Å; K718-V858 HydrophobicContact CB-CG2 3.74Å; K718-V858 HydrophobicContact CG-CG1 4.29Å; K718-V858 HydrophobicContact CG-CG2 4.34Å; L849-V858 HydrophobicContact CD1-CB 4.43Å; L849-V858 HydrophobicContact CD1-CG1 4.18Å; L849-V858 HydrophobicContact CD1-CG2 4.27Å; K856-V858 PolarHBondContact O-N 3.14Å
859P96.4Very high95.5Very high15 Ų1550.8 Ų50.810%0.09726%0.257CS..  trans-59.1145.4178.4-22.834.9000111.7K855 F862K855-P859 HydrophobicContact CB-CB 4.38Å; K855-P859 HydrophobicContact CB-CG 3.79Å; K855-P859 HydrophobicContact CD-CB 4.35Å; P859-F862 HydrophobicContact CB-CD1 4.07Å; P859-F862 HydrophobicContact CB-CE1 4.1Å
860R93.9Very high95.4Very high197 Ų19754.8 Ų54.874%0.74327%0.272SS*.  trans-124164.3179.7-61.2-173.8-178.4-177.20.2111.6F862R860-F862 PolarHBondContact O-N 3.05Å
861D94.1Very high95.3Very high137 Ų13755.5 Ų55.573%0.73328%0.278SS*.SBendtrans56.923.9169.4-54-52.1000115.9
862F97Very high95.4Very high11 Ų1153.3 Ų53.35%0.04827%0.269CS..  trans-95.2146.2176.968.2-87.6000111.5A814 K815 P859 R860 L864A814-F862 WeakPolarHBondContact CA-O 3.3Å; A814-F862 HydrophobicContact CB-CD2 4.01Å; A814-F862 HydrophobicContact CB-CE2 3.47Å; A814-F862 VanDerWaalsContact CB-CE2 3.47Å; A814-F862 HydrophobicContact CB-CZ 3.78Å; K815-F862 PolarHBondContact N-O 2.92Å; P859-F862 HydrophobicContact CB-CD1 4.07Å; P859-F862 HydrophobicContact CB-CE1 4.1Å; R860-F862 PolarHBondContact O-N 3.05Å; F862-L864 HydrophobicContact CE2-CD1 4.06Å
863I97.4Very high95.6Very high85 Ų8550.4 Ų50.444%0.43626%0.256SS..EExtended strand (participates in β ladder)trans-93.5136.6168.7-59.9176.2000107.7D816 E818 H851 P865D816-I863 WeakPolarHBondContact O-CA 3.34Å; E818-I863 HydrophobicContact CB-CG2 3.69Å; H851-I863 PolarHBondContact CE1-O 3.39Å; H851-I863 VanDerWaalsContact CE1-O 3.26Å; H851-I863 PolarHBondContact ND1-O 3.32Å; I863-P865 WeakPolarHBondContact O-CD 3.36Å
864L97.1Very high95.8Very high0 Ų048.1 Ų48.10%024%0.24CC..EExtended strand (participates in β ladder)trans-92.1111.4-179.3-165.575.5000110.1A808 Y812 A814 D816 I817 E818 M842 H851 F862 I866 V882A808-L864 HydrophobicContact CB-CB 4.5Å; A808-L864 HydrophobicContact CB-CD2 3.85Å; Y812-L864 HydrophobicContact CD2-CD2 3.99Å; Y812-L864 HydrophobicContact CE2-CD2 4.22Å; A814-L864 HydrophobicContact CB-CB 4.35Å; D816-L864 PolarHBondContact O-N 3.4Å; I817-L864 WeakPolarHBondContact CA-O 3.26Å; I817-L864 HydrophobicContact CG2-CB 4.23Å; E818-L864 PolarHBondContact N-O 3.3Å; M842-L864 HydrophobicContact CE-CD2 3.51Å; H851-L864 HydrophobicContact CB-CD1 4.08Å; F862-L864 HydrophobicContact CE2-CD1 4.06Å; L864-I866 HydrophobicContact CD2-CD1 4.19Å; L864-I866 HydrophobicContact CG-CD1 4.39Å; L864-V882 HydrophobicContact CD1-CG1 3.61Å; L864-V882 HydrophobicContact CD2-CG2 4.12Å; L864-V882 HydrophobicContact CG-CG1 3.9Å; L864-V882 HydrophobicContact CG-CG2 4.24Å
865P97.3Very high96Very high41 Ų4141.3 Ų41.327%0.26621%0.205SC..EExtended strand (participates in β ladder)trans-77.9128.2179.931.4-33.6000110.4H851 I863 V882H851-P865 HydrophobicContact CB-CG 4.49Å; H851-P865 WeakPolarHBondContact ND1-CD 3.42Å; I863-P865 WeakPolarHBondContact O-CD 3.36Å; P865-V882 WeakPolarHBondContact O-CA 3.48Å; P865-V882 WeakPolarHBondContact O-CG1 3.19Å
866I97.4Very high96.2Very high2 Ų237.8 Ų37.81%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-105.8100.4173.1-49.4-55.1000107.4I804 I817 E818 L819 S820 A823 M842 L864 V869 P880 V882I804-I866 HydrophobicContact CG2-CD1 3.93Å; I804-I866 HydrophobicContact CG2-CG1 4.23Å; I817-I866 HydrophobicContact CB-CG1 4.43Å; E818-I866 PolarHBondContact O-N 3.15Å; L819-I866 HydrophobicContact CD2-CB 3.77Å; L819-I866 HydrophobicContact CD2-CG1 3.87Å; L819-I866 HydrophobicContact CD2-CG2 4Å; S820-I866 PolarHBondContact N-O 2.89Å; A823-I866 HydrophobicContact CB-CG2 4.1Å; M842-I866 HydrophobicContact CE-CD1 4.07Å; L864-I866 HydrophobicContact CD2-CD1 4.19Å; L864-I866 HydrophobicContact CG-CD1 4.39Å; I866-V869 HydrophobicContact CG2-CG2 3.9Å; I866-P880 HydrophobicContact CD1-CB 4.38Å; I866-P880 HydrophobicContact CG2-CB 3.87Å; I866-V882 HydrophobicContact CD1-CG2 3.86Å
867S95.2Very high96.3Very high48 Ų4835.5 Ų35.534%0.33618%0.184SC..  trans-78.1-35.1-17547.60000112.5S820 L881 G883S820-S867 PolarHBondContact OG-O 3.49Å; S867-L881 PolarHBondContact N-O 3.46Å; S867-L881 PolarHBondContact OG-O 3.19Å; S867-L881 VanDerWaalsContact OG-O 3.08Å; S867-G883 PolarHBondContact OG-O 3.33Å
868D94.1Very high96.4Very high15 Ų1535.1 Ų35.18%0.0818%0.181CC..EExtended strand (participates in β ladder)trans-154.7162.6-176.9-176.222.9000109.8K826 R870 L881K826-D868 VanDerWaalsContact CD-OD1 3.26Å; K826-D868 WeakPolarHBondContact CD-OD1 3.45Å; K826-D868 WeakPolarHBondContact CE-OD1 3.26Å; K826-D868 VanDerWaalsContact NZ-CG 3.35Å; K826-D868 IonicContact NZ-OD1 2.72Å; K826-D868 PolarHBondContact NZ-OD1 3.17Å; K826-D868 IonicContact NZ-OD2 2.66Å; K826-D868 PolarHBondContact NZ-OD2 3.17Å; D868-R870 IonicContact OD2-NE 2.81Å; D868-R870 PolarHBondContact OD2-NE 3.01Å; D868-L881 HydrophobicContact CB-CB 4.23Å; D868-L881 HydrophobicContact CB-CD1 3.84Å; D868-L881 PolarHBondContact O-N 3.22Å
869V94.7Very high96.3Very high0 Ų034.5 Ų34.50%017%0.174CC..EExtended strand (participates in β ladder)trans-135.3128.6174.6-177.70000109A823 K826 I827 Y830 I866 I878 P880A823-V869 HydrophobicContact CB-CG2 3.95Å; K826-V869 WeakPolarHBondContact CD-O 3.45Å; I827-V869 HydrophobicContact CD1-CG2 4.02Å; I827-V869 HydrophobicContact CG1-CB 4.33Å; I827-V869 HydrophobicContact CG1-CG1 4.3Å; I827-V869 HydrophobicContact CG1-CG2 3.94Å; Y830-V869 HydrophobicContact CD2-CG1 4.28Å; Y830-V869 HydrophobicContact CE2-CG1 4.04Å; I866-V869 HydrophobicContact CG2-CG2 3.9Å; V869-I878 HydrophobicContact CG1-CG2 3.29Å; V869-P880 HydrophobicContact CG2-CB 4.29Å
870R93.9Very high96.3Very high84 Ų8433.8 Ų33.832%0.31717%0.169SC..EExtended strand (participates in β ladder)trans-122.2167.2176.5-63.1-175.7-174.2-168.72.4110.2D868 I878 Y879 L881D868-R870 IonicContact OD2-NE 2.81Å; D868-R870 PolarHBondContact OD2-NE 3.01Å; R870-I878 CarbonylContact O-C 3.6Å; R870-I878 WeakPolarHBondContact O-CG2 3.42Å; R870-Y879 HydrophobicContact CB-CD1 4.04Å; R870-Y879 HydrophobicContact CB-CD2 4.03Å; R870-Y879 HydrophobicContact CB-CE1 3.48Å; R870-Y879 VanDerWaalsContact CB-CE1 3.48Å; R870-Y879 HydrophobicContact CB-CE2 3.52Å; R870-Y879 HydrophobicContact CB-CG 4.28Å; R870-Y879 WeakPolarHBondContact CB-OH 3.41Å; R870-Y879 WeakPolarHBondContact CD-OH 3.5Å; R870-Y879 HydrophobicContact CG-CE2 4.15Å; R870-Y879 PolarHBondContact N-O 2.9Å; R870-Y879 VanDerWaalsContact N-O 3.11Å; R870-Y879 WeakPolarHBondContact O-CD1 3.36Å; R870-Y879 PolarHBondContact O-N 3.44Å; R870-L881 HydrophobicContact CG-CD1 4.28Å
871A94.3Very high96.3Very high15 Ų1525.2 Ų25.212%0.12414%0.138CC..EExtended strand (participates in β ladder)trans-135.6139.4-179.600000111.4Y830 I873 I878Y830-A871 HydrophobicContact CD1-CB 4.33Å; Y830-A871 HydrophobicContact CD2-CB 4.46Å; Y830-A871 HydrophobicContact CE1-CB 3.9Å; Y830-A871 HydrophobicContact CE2-CB 4.04Å; Y830-A871 PolarHBondContact OH-N 3.2Å; A871-I873 HydrophobicContact CB-CD1 3.58Å; A871-I873 HydrophobicContact CB-CG1 4.16Å; A871-I878 HydrophobicContact CB-CG1 4.13Å
872S96.9Very high96.3Very high8 Ų818.9 Ų18.96%0.05611%0.105CC..EExtended strand (participates in β ladder)trans-113.486.4169.5-66.90000107E546 A875 G876 F877 Y879E546-S872 VanDerWaalsContact CD-CA 3.5Å; E546-S872 WeakPolarHBondContact OE1-CA 3.25Å; S872-A875 PolarHBondContact O-N 3.49Å; S872-G876 PolarHBondContact O-N 2.72Å; S872-F877 PolarHBondContact N-O 2.98Å; S872-F877 PolarHBondContact O-N 2.7Å; S872-F877 VanDerWaalsContact O-N 3.09Å; S872-Y879 WeakPolarHBondContact OG-CE1 3.38Å
873I97.8Very high95.6Very high16 Ų1620 Ų208%0.08212%0.119CC..THydrogen-bonded Turntrans-71.4-37.5-169.1-57.6-57000112.5E546 R566 V568 F835 L838 A871 G876E546-I873 PolarHBondContact OE1-N 3.47Å; R566-I873 WeakPolarHBondContact O-CG2 3.49Å; V568-I873 HydrophobicContact CB-CB 4.41Å; V568-I873 HydrophobicContact CB-CG1 4.06Å; V568-I873 HydrophobicContact CG2-CB 3.91Å; V568-I873 HydrophobicContact CG2-CG1 3.76Å; V568-I873 HydrophobicContact CG2-CG2 4Å; F835-I873 HydrophobicContact CB-CD1 4.01Å; F835-I873 HydrophobicContact CD1-CD1 3.78Å; F835-I873 HydrophobicContact CD1-CG2 4.11Å; F835-I873 HydrophobicContact CD2-CD1 3.63Å; F835-I873 HydrophobicContact CD2-CG1 4.31Å; F835-I873 HydrophobicContact CE1-CD1 4.13Å; F835-I873 HydrophobicContact CE1-CG1 4.38Å; F835-I873 HydrophobicContact CE1-CG2 3.64Å; F835-I873 HydrophobicContact CE2-CD1 3.98Å; F835-I873 HydrophobicContact CE2-CG1 4.15Å; F835-I873 HydrophobicContact CG-CD1 3.53Å; F835-I873 HydrophobicContact CG-CG1 4.49Å; F835-I873 HydrophobicContact CZ-CD1 4.22Å; F835-I873 HydrophobicContact CZ-CG1 4.19Å; F835-I873 HydrophobicContact CZ-CG2 4Å; L838-I873 HydrophobicContact CD1-CD1 3.6Å; A871-I873 HydrophobicContact CB-CD1 3.58Å; A871-I873 HydrophobicContact CB-CG1 4.16Å; I873-G876 PolarHBondContact O-N 2.89Å
874G97.6Very high94.6Very high0 Ų022.8 Ų22.80%014%0.14CC..THydrogen-bonded Turntrans-66.5-41.3173.300000111.8E546 R563 G876E546-G874 VanDerWaalsContact OE1-CA 3.32Å; E546-G874 WeakPolarHBondContact OE1-CA 3.48Å; E546-G874 PolarHBondContact OE1-N 3.16Å; R563-G874 WeakPolarHBondContact CB-O 3.17Å; R563-G874 VanDerWaalsContact CG-O 3.27Å; R563-G874 WeakPolarHBondContact CG-O 3.45Å; R563-G874 PolarHBondContact NH1-O 3.16Å; R563-G874 WeakPolarHBondContact O-CA 3.3Å; G874-G876 VanDerWaalsContact C-N 3.31Å
875A97.6Very high93.8Very high3 Ų325.3 Ų25.33%0.02515%0.153CC..THydrogen-bonded Turntrans-69.2-31.5173.600000112.3E546 A549 V550 L553 R563 S872 F877E546-A875 HydrophobicContact CG-CB 4.26Å; E546-A875 PolarHBondContact OE1-N 3.42Å; E546-A875 VanDerWaalsContact OE1-N 3.11Å; A549-A875 HydrophobicContact CB-CB 3.71Å; V550-A875 HydrophobicContact CG2-CB 4.3Å; L553-A875 HydrophobicContact CD1-CB 4.31Å; L553-A875 WeakPolarHBondContact CD1-O 3.42Å; R563-A875 PolarHBondContact NH1-O 2.9Å; S872-A875 PolarHBondContact O-N 3.49Å; A875-F877 HydrophobicContact CB-CD1 3.99Å; A875-F877 HydrophobicContact CB-CE1 3.46Å; A875-F877 VanDerWaalsContact CB-CE1 3.46Å; A875-F877 HydrophobicContact CB-CZ 4.03Å
876G97.6Very high93Very high18 Ų1826.6 Ų26.619%0.18616%0.162CC..THydrogen-bonded Turntrans92.143.1173.800000114.1P839 S872 I873 G874P839-G876 WeakPolarHBondContact CD-O 3.48Å; P839-G876 VanDerWaalsContact CG-O 3.28Å; P839-G876 WeakPolarHBondContact CG-O 3.35Å; S872-G876 PolarHBondContact O-N 2.72Å; I873-G876 PolarHBondContact O-N 2.89Å; G874-G876 VanDerWaalsContact C-N 3.31Å
877F98.3Very high92.5Very high0 Ų027.5 Ų27.50%017%0.168CC..EExtended strand (participates in β ladder)trans-151.6159.3172.857.1-101.2000113A549 L553 A621 I661 P839 C841 S872 A875 Y879A549-F877 HydrophobicContact CB-CE1 4.16Å; A549-F877 HydrophobicContact CB-CZ 4.1Å; L553-F877 HydrophobicContact CD1-CD1 4.17Å; L553-F877 HydrophobicContact CD1-CE1 4.03Å; A621-F877 HydrophobicContact CB-CZ 3.96Å; I661-F877 HydrophobicContact CD1-CB 4.29Å; I661-F877 HydrophobicContact CD1-CD1 4.44Å; I661-F877 HydrophobicContact CD1-CG 4.35Å; I661-F877 HydrophobicContact CG2-CD1 4.02Å; P839-F877 HydrophobicContact CG-CB 4.1Å; P839-F877 WeakPolarHBondContact O-CA 3.48Å; P839-F877 WeakPolarHBondContact O-CB 3.42Å; C841-F877 HydrophobicContact CB-CB 4.47Å; C841-F877 HydrophobicContact CB-CD2 3.6Å; C841-F877 HydrophobicContact CB-CE2 4.06Å; C841-F877 HydrophobicContact CB-CG 4.13Å; S872-F877 PolarHBondContact N-O 2.98Å; S872-F877 PolarHBondContact O-N 2.7Å; S872-F877 VanDerWaalsContact O-N 3.09Å; A875-F877 HydrophobicContact CB-CD1 3.99Å; A875-F877 HydrophobicContact CB-CE1 3.46Å; A875-F877 VanDerWaalsContact CB-CE1 3.46Å; A875-F877 HydrophobicContact CB-CZ 4.03Å; F877-Y879 HydrophobicContact CD2-CD1 4.23Å; F877-Y879 AromaticContact CE2-CD1 3.99Å; F877-Y879 HydrophobicContact CE2-CD1 3.99Å
878I97.7Very high92.5Very high0 Ų025.2 Ų25.20%015%0.152CC..EExtended strand (participates in β ladder)trans-104.9137170.2-65176.5000108.2I800 Y830 F835 L838 P839 I840 C841 V869 R870 A871I800-I878 HydrophobicContact CD1-CD1 3.5Å; I800-I878 VanDerWaalsContact CD1-CD1 3.5Å; I800-I878 HydrophobicContact CG1-CD1 4.03Å; Y830-I878 HydrophobicContact CD2-CD1 4.42Å; F835-I878 WeakPolarHBondContact O-CD1 3.33Å; L838-I878 HydrophobicContact CB-CD1 4.36Å; L838-I878 HydrophobicContact CB-CG1 4.1Å; L838-I878 HydrophobicContact CD1-CG1 4.28Å; P839-I878 PolarHBondContact O-N 3.35Å; I840-I878 CarbonylContact C-O 3.57Å; I840-I878 VanDerWaalsContact CA-O 3.3Å; I840-I878 WeakPolarHBondContact CA-O 3.47Å; I840-I878 HydrophobicContact CD1-CB 4.09Å; I840-I878 HydrophobicContact CD1-CG2 4.37Å; C841-I878 PolarHBondContact N-O 3.05Å; V869-I878 HydrophobicContact CG1-CG2 3.29Å; R870-I878 CarbonylContact O-C 3.6Å; R870-I878 WeakPolarHBondContact O-CG2 3.42Å; A871-I878 HydrophobicContact CB-CG1 4.13Å
879Y95.5Very high92.3Very high30 Ų3026.3 Ų26.312%0.11816%0.16CC..EExtended strand (participates in β ladder)trans-123.6103.6-178.962.6-79.6000112.2I620 C841 R870 S872 F877I620-Y879 HydrophobicContact CB-CD2 4.17Å; I620-Y879 HydrophobicContact CB-CE2 4.09Å; I620-Y879 HydrophobicContact CG2-CD2 4.46Å; I620-Y879 HydrophobicContact CG2-CE2 4.35Å; C841-Y879 WeakPolarHBondContact O-CA 3.16Å; C841-Y879 WeakPolarHBondContact O-CB 3.36Å; R870-Y879 HydrophobicContact CB-CD1 4.04Å; R870-Y879 HydrophobicContact CB-CD2 4.03Å; R870-Y879 HydrophobicContact CB-CE1 3.48Å; R870-Y879 VanDerWaalsContact CB-CE1 3.48Å; R870-Y879 HydrophobicContact CB-CE2 3.52Å; R870-Y879 HydrophobicContact CB-CG 4.28Å; R870-Y879 WeakPolarHBondContact CB-OH 3.41Å; R870-Y879 WeakPolarHBondContact CD-OH 3.5Å; R870-Y879 HydrophobicContact CG-CE2 4.15Å; R870-Y879 PolarHBondContact N-O 2.9Å; R870-Y879 VanDerWaalsContact N-O 3.11Å; R870-Y879 WeakPolarHBondContact O-CD1 3.36Å; R870-Y879 PolarHBondContact O-N 3.44Å; S872-Y879 WeakPolarHBondContact OG-CE1 3.38Å; F877-Y879 HydrophobicContact CD2-CD1 4.23Å; F877-Y879 AromaticContact CE2-CD1 3.99Å; F877-Y879 HydrophobicContact CE2-CD1 3.99Å
880P96.5Very high92.1Very high0 Ų027.2 Ų27.20%017%0.17CC..EExtended strand (participates in β ladder)trans-69.1136.5171.2-15.228.8000111.2I804 I840 M842 A843 I866 V869I804-P880 HydrophobicContact CD1-CB 4.14Å; I804-P880 HydrophobicContact CD1-CG 3.48Å; I804-P880 VanDerWaalsContact CD1-CG 3.48Å; I804-P880 HydrophobicContact CG1-CG 3.65Å; I804-P880 HydrophobicContact CG2-CG 4.48Å; I840-P880 HydrophobicContact CG2-CG 3.76Å; M842-P880 HydrophobicContact SD-CB 4.09Å; M842-P880 HydrophobicContact SD-CG 3.75Å; A843-P880 WeakPolarHBondContact CB-O 3.29Å; A843-P880 PolarHBondContact N-O 3.46Å; I866-P880 HydrophobicContact CD1-CB 4.38Å; I866-P880 HydrophobicContact CG2-CB 3.87Å; V869-P880 HydrophobicContact CG2-CB 4.29Å
881L95.2Very high92Very high16 Ų1625.9 Ų25.98%0.08417%0.168CC..EExtended strand (participates in β ladder)trans-93.8121176.5-69167.3000109.7A843 S867 D868 R870 M885A843-L881 HydrophobicContact CB-CD2 3.81Å; S867-L881 PolarHBondContact N-O 3.46Å; S867-L881 PolarHBondContact OG-O 3.19Å; S867-L881 VanDerWaalsContact OG-O 3.08Å; D868-L881 HydrophobicContact CB-CB 4.23Å; D868-L881 HydrophobicContact CB-CD1 3.84Å; D868-L881 PolarHBondContact O-N 3.22Å; R870-L881 HydrophobicContact CG-CD1 4.28Å; L881-M885 HydrophobicContact CD2-CB 4.33Å; L881-M885 HydrophobicContact CD2-CG 4.37Å
882V92.8Very high91.8Very high5 Ų527.7 Ų27.73%0.0318%0.179CC..  trans-106.287.4176.9-175.80000107.7M842 A843 K844 H851 L864 P865 I866M842-V882 HydrophobicContact CE-CG2 3.62Å; A843-V882 PolarHBondContact O-N 2.91Å; K844-V882 HydrophobicContact CB-CB 3.74Å; K844-V882 HydrophobicContact CB-CG1 4.12Å; K844-V882 HydrophobicContact CB-CG2 4.09Å; H851-V882 HydrophobicContact CB-CG1 3.45Å; H851-V882 VanDerWaalsContact CB-CG1 3.45Å; L864-V882 HydrophobicContact CD1-CG1 3.61Å; L864-V882 HydrophobicContact CD2-CG2 4.12Å; L864-V882 HydrophobicContact CG-CG1 3.9Å; L864-V882 HydrophobicContact CG-CG2 4.24Å; P865-V882 WeakPolarHBondContact O-CA 3.48Å; P865-V882 WeakPolarHBondContact O-CG1 3.19Å; I866-V882 HydrophobicContact CD1-CG2 3.86Å
883G82.4Confident91.5Very high33 Ų3334.4 Ų34.434%0.3422%0.22SC..SBendtrans89.4-163.3-17500000113.5S867S867-G883 PolarHBondContact OG-O 3.33Å
884T76.8Confident91.1Very high144 Ų14440.4 Ų40.488%0.88324%0.241SC*.  trans-90.6124.7-179.648.30000110.8
885M79.4Confident90.7Very high54 Ų5440.8 Ų40.827%0.26624%0.244SC..  trans-119.1122177.1-71.4-66.6166.900109.6K844 T845 L881K844-M885 WeakPolarHBondContact O-CE 3.27Å; T845-M885 VanDerWaalsContact N-CE 3.26Å; L881-M885 HydrophobicContact CD2-CB 4.33Å; L881-M885 HydrophobicContact CD2-CG 4.37Å
886S80.4Confident90.2Very high68 Ų6841.5 Ų41.548%0.47625%0.248SC..  trans-85.3119.1171.7-167.30000109.5R520 M888R520-S886 PolarHBondContact NE-OG 3.37Å; R520-S886 PolarHBondContact NH2-OG 2.88Å; R520-S886 VanDerWaalsContact NH2-OG 3.15Å; S886-M888 PolarHBondContact OG-O 3.35Å
887T88.8Confident89.9Confident20 Ų2044.7 Ų44.712%0.12326%0.257CS..SBendtrans-88.8-5.8174.743.80000112.7D540 I541 I620D540-T887 WeakPolarHBondContact OD1-CB 3.42Å; D540-T887 PolarHBondContact OD1-OG1 3.06Å; I541-T887 WeakPolarHBondContact CG2-O 3.4Å; I541-T887 PolarHBondContact N-O 2.93Å; I620-T887 HydrophobicContact CD1-CG2 3.92Å; I620-T887 HydrophobicContact CG2-CG2 4.4Å
888M93.3Very high89.6Confident1 Ų151.7 Ų51.71%0.00529%0.285CS..SBendtrans-128.6100.2174.3178.355.38200109.8D516 R520 F539 D540 S886D516-M888 WeakPolarHBondContact O-CG 3.29Å; R520-M888 HydrophobicContact CG-CB 3.88Å; R520-M888 HydrophobicContact CG-CG 4.13Å; R520-M888 VanDerWaalsContact CZ-O 3.25Å; R520-M888 PolarHBondContact NE-O 2.95Å; R520-M888 PolarHBondContact NH2-O 2.92Å; F539-M888 HydrophobicContact CB-CE 3.87Å; F539-M888 WeakPolarHBondContact O-CB 3.46Å; D540-M888 WeakPolarHBondContact O-CE 3.4Å; S886-M888 PolarHBondContact OG-O 3.35Å
889P90.5Very high89.2Confident37 Ų3756 Ų5624%0.2431%0.307CS..  trans-63.9159.5176.928.5-35.2000111.5N515 D516 I541N515-P889 CarbonylContact C-O 3.5Å; N515-P889 VanDerWaalsContact C-O 3.23Å; N515-P889 WeakPolarHBondContact CA-O 3.5Å; N515-P889 HydrophobicContact CB-CB 4.44Å; N515-P889 HydrophobicContact CB-CG 4.16Å; N515-P889 WeakPolarHBondContact OD1-CG 3.41Å; D516-P889 PolarHBondContact N-O 3.21Å; I541-P889 HydrophobicContact CD1-CG 3.81Å
890G91.8Very high89Confident20 Ų2056.2 Ų56.221%0.20631%0.311CS..  trans-114151.5174.300000111.2
891L91.2Very high88.9Confident56 Ų5661.5 Ų61.529%0.29334%0.339SS..  trans-63.1144.1169.9-68.2166000111.5N515 R517 P895 F897N515-L891 HydrophobicContact CB-CD2 4.12Å; N515-L891 HydrophobicContact CB-CG 4.17Å; N515-L891 WeakPolarHBondContact O-CG 3.28Å; R517-L891 PolarHBondContact NH2-O 3.05Å; L891-P895 HydrophobicContact CB-CG 4.06Å; L891-P895 HydrophobicContact CD2-CB 4.19Å; L891-P895 HydrophobicContact CD2-CG 4.37Å; L891-F897 HydrophobicContact CD1-CE1 3.86Å; L891-F897 HydrophobicContact CD2-CD1 4.49Å; L891-F897 HydrophobicContact CD2-CE1 4.13Å
892P90.3Very high88.9Confident52 Ų5264.9 Ų64.934%0.33836%0.356SS..  trans-74.8173.9171.833-34.9000111.4G397 R894 P895G397-P892 WeakPolarHBondContact O-CG 3.17Å; P892-R894 VanDerWaalsContact C-N 3.26Å; P892-R894 PolarHBondContact O-N 3.29Å; P892-P895 HydrophobicContact CG-CG 4.45Å; P892-P895 VanDerWaalsContact O-CD 3.3Å; P892-P895 WeakPolarHBondContact O-CD 3.42Å; P892-P895 VanDerWaalsContact O-CG 3.31Å; P892-P895 WeakPolarHBondContact O-CG 3.2Å
893T90.8Very high89Confident150 Ų15066.4 Ų66.492%0.9236%0.364SS*.SBendtrans-60.9-34.6177.1-52.40000112.7
894R88.3Confident89.7Confident142 Ų14271.1 Ų71.154%0.53639%0.387SS..SBendtrans-120.188.3172179.7169.117363.97109.4P892 D899P892-R894 VanDerWaalsContact C-N 3.26Å; P892-R894 PolarHBondContact O-N 3.29Å; R894-D899 IonicContact CZ-OD1 2.71Å; R894-D899 IonicContact CZ-OD2 3.74Å; R894-D899 IonicContact NH2-OD1 2.67Å; R894-D899 PolarHBondContact NH2-OD1 3.33Å; R894-D899 IonicContact NH2-OD2 3.91Å; R894-D899 PolarHBondContact NH2-OD2 2.77Å
895P89.9Confident90.6Very high7 Ų772.8 Ų72.85%0.04539%0.385CS..  trans-66.4151.5174.7-24.237.6000112.6G397 L891 P892 F897 Y898G397-P895 WeakPolarHBondContact O-CA 3.46Å; L891-P895 HydrophobicContact CB-CG 4.06Å; L891-P895 HydrophobicContact CD2-CB 4.19Å; L891-P895 HydrophobicContact CD2-CG 4.37Å; P892-P895 HydrophobicContact CG-CG 4.45Å; P892-P895 VanDerWaalsContact O-CD 3.3Å; P892-P895 WeakPolarHBondContact O-CD 3.42Å; P892-P895 VanDerWaalsContact O-CG 3.31Å; P892-P895 WeakPolarHBondContact O-CG 3.2Å; P895-F897 HydrophobicContact CB-CD1 3.49Å; P895-F897 VanDerWaalsContact CB-CD1 3.49Å; P895-F897 HydrophobicContact CB-CD2 4.2Å; P895-F897 HydrophobicContact CB-CE1 3.27Å; P895-F897 HydrophobicContact CB-CE2 3.98Å; P895-F897 HydrophobicContact CB-CG 3.95Å; P895-F897 HydrophobicContact CB-CZ 3.53Å; P895-F897 HydrophobicContact CG-CD1 4.29Å; P895-F897 HydrophobicContact CG-CE1 3.56Å; P895-F897 HydrophobicContact CG-CE2 4.15Å; P895-F897 HydrophobicContact CG-CZ 3.47Å; P895-F897 VanDerWaalsContact CG-CZ 3.47Å; P895-F897 PolarHBondContact O-N 3.43Å; P895-Y898 WeakPolarHBondContact O-CD2 2.82Å; P895-Y898 PolarHBondContact O-N 3.36Å
896C87.2Confident91.3Very high18 Ų1873.8 Ų73.812%0.12239%0.394CS..G310 helixtrans-63.7-23.8178.1-67.20000113.9F396 G397 V398 K399 Y898 D899 I900F396-C896 PolarHBondContact O-N 3.23Å; G397-C896 PolarHBondContact O-N 2.94Å; G397-C896 PolarHBondContact O-SG 3.43Å; V398-C896 PolarHBondContact O-SG 3.22Å; K399-C896 VanDerWaalsContact CG-SG 3.59Å; K399-C896 PolarHBondContact N-SG 2.71Å; K399-C896 VanDerWaalsContact N-SG 3.41Å; C896-Y898 PolarHBondContact O-N 3.01Å; C896-D899 PolarHBondContact O-N 3.41Å; C896-I900 PolarHBondContact O-N 3.26Å
897F90.5Very high91.8Very high85 Ų8578.1 Ų78.137%0.37341%0.406SS..G310 helixtrans-59-16.1177.163.5-124.6000114.6F396 L891 P895 D899 I900F396-F897 HydrophobicContact CB-CB 4.42Å; F396-F897 HydrophobicContact CB-CD1 4.37Å; F396-F897 HydrophobicContact CD1-CB 4.14Å; F396-F897 WeakPolarHBondContact O-CD1 3.5Å; F396-F897 PolarHBondContact O-N 3.02Å; L891-F897 HydrophobicContact CD1-CE1 3.86Å; L891-F897 HydrophobicContact CD2-CD1 4.49Å; L891-F897 HydrophobicContact CD2-CE1 4.13Å; P895-F897 HydrophobicContact CB-CD1 3.49Å; P895-F897 VanDerWaalsContact CB-CD1 3.49Å; P895-F897 HydrophobicContact CB-CD2 4.2Å; P895-F897 HydrophobicContact CB-CE1 3.27Å; P895-F897 HydrophobicContact CB-CE2 3.98Å; P895-F897 HydrophobicContact CB-CG 3.95Å; P895-F897 HydrophobicContact CB-CZ 3.53Å; P895-F897 HydrophobicContact CG-CD1 4.29Å; P895-F897 HydrophobicContact CG-CE1 3.56Å; P895-F897 HydrophobicContact CG-CE2 4.15Å; P895-F897 HydrophobicContact CG-CZ 3.47Å; P895-F897 VanDerWaalsContact CG-CZ 3.47Å; P895-F897 PolarHBondContact O-N 3.43Å; F897-D899 PolarHBondContact O-N 2.66Å; F897-I900 HydrophobicContact CB-CD1 4.43Å; F897-I900 PolarHBondContact O-N 3.46Å
898Y91.6Very high91.9Very high148 Ų14881.6 Ų81.658%0.5842%0.421SS*.G310 helixtrans-62.5-28.5172.6-87.9-99.3000112.6P895 C896P895-Y898 WeakPolarHBondContact O-CD2 2.82Å; P895-Y898 PolarHBondContact O-N 3.36Å; C896-Y898 PolarHBondContact O-N 3.01Å
899D90.4Very high91.8Very high89 Ų8983 Ų8348%0.47643%0.43SS..THydrogen-bonded Turntrans-104.1-6.4-176.9-56.2-39.9000111.1R894 C896 F897 G911R894-D899 IonicContact CZ-OD1 2.71Å; R894-D899 IonicContact CZ-OD2 3.74Å; R894-D899 IonicContact NH2-OD1 2.67Å; R894-D899 PolarHBondContact NH2-OD1 3.33Å; R894-D899 IonicContact NH2-OD2 3.91Å; R894-D899 PolarHBondContact NH2-OD2 2.77Å; C896-D899 PolarHBondContact O-N 3.41Å; F897-D899 PolarHBondContact O-N 2.66Å; D899-G911 VanDerWaalsContact O-CA 3.27Å; D899-G911 WeakPolarHBondContact O-CA 3.07Å
900I92Very high91.7Very high36 Ų3686.1 Ų86.119%0.18544%0.439CS..  trans-82.7128179.1-63.1172.7000110F396 C896 F897 V909 K910 G911 L912F396-I900 HydrophobicContact CD1-CD1 3.7Å; F396-I900 HydrophobicContact CE1-CD1 3.99Å; C896-I900 PolarHBondContact O-N 3.26Å; F897-I900 HydrophobicContact CB-CD1 4.43Å; F897-I900 PolarHBondContact O-N 3.46Å; I900-V909 HydrophobicContact CG2-CG1 4.38Å; I900-K910 VanDerWaalsContact CA-O 3.24Å; I900-K910 WeakPolarHBondContact CA-O 3.33Å; I900-G911 WeakPolarHBondContact CG1-O 3.42Å; I900-L912 HydrophobicContact CD1-CD1 3.67Å; I900-L912 HydrophobicContact CG1-CD1 4.27Å
901D94.1Very high91.5Very high110 Ų11086.9 Ų86.959%0.58845%0.448SS*.EExtended strand (participates in β ladder)trans-149172.1175.8-157.92.9000111.3V909 K910D901-V909 CarbonylContact O-C 3.57Å; D901-V909 WeakPolarHBondContact O-CA 3.19Å; D901-K910 HydrophobicContact CB-CB 4.45Å; D901-K910 PolarHBondContact N-O 2.81Å; D901-K910 VanDerWaalsContact N-O 3.09Å; D901-K910 PolarHBondContact O-N 3.33Å
902L95.1Very high91.1Very high88 Ų8884.4 Ų84.446%0.46144%0.435SS..EExtended strand (participates in β ladder)trans-121.9123.5174.6-174.869.5000109.6T904 E907 V909L902-T904 PolarHBondContact O-N 2.93Å; L902-E907 VanDerWaalsContact CD1-O 3.29Å; L902-E907 WeakPolarHBondContact CD1-O 3.29Å; L902-V909 HydrophobicContact CD1-CG2 4.16Å
903D95Very high90.7Very high36 Ų3684.8 Ų84.819%0.19343%0.431CS..  trans-67.6115.4170-170-73000110E905 T906 E907 Q908 K910D903-E905 VanDerWaalsContact C-N 3.26Å; D903-E905 PolarHBondContact O-N 3.43Å; D903-E905 PolarHBondContact OD1-N 3.08Å; D903-E905 VanDerWaalsContact OD1-N 3.17Å; D903-T906 VanDerWaalsContact CB-OG1 3.26Å; D903-T906 WeakPolarHBondContact CB-OG1 3.27Å; D903-T906 PolarHBondContact OD1-N 2.57Å; D903-T906 PolarHBondContact OD1-OG1 3.5Å; D903-E907 WeakPolarHBondContact O-CA 3.44Å; D903-E907 PolarHBondContact O-N 2.57Å; D903-Q908 HydrophobicContact CB-CB 4.41Å; D903-Q908 WeakPolarHBondContact CB-O 3.38Å; D903-Q908 PolarHBondContact N-O 3.48Å; D903-K910 WeakPolarHBondContact OD2-CE 3.46Å; D903-K910 IonicContact OD2-NZ 3.17Å; D903-K910 PolarHBondContact OD2-NZ 3.28Å
904T96.2Very high90.7Very high132 Ų13281.6 Ų81.681%0.8141%0.407SS*.THydrogen-bonded Turntrans-77-8.9-171.355.40000114.4L902L902-T904 PolarHBondContact O-N 2.93Å
905E96Very high90.8Very high180 Ų18078.4 Ų78.484%0.84140%0.4SS*.THydrogen-bonded Turntrans-97.1-41.7176-64.4-175.7176.500111.4D903D903-E905 VanDerWaalsContact C-N 3.26Å; D903-E905 PolarHBondContact O-N 3.43Å; D903-E905 PolarHBondContact OD1-N 3.08Å; D903-E905 VanDerWaalsContact OD1-N 3.17Å
906T93.5Very high90.9Very high74 Ų7482.3 Ų82.345%0.45442%0.42SS..THydrogen-bonded Turntrans-99.8-10.4-175.762.80000113.8D903 Q908D903-T906 VanDerWaalsContact CB-OG1 3.26Å; D903-T906 WeakPolarHBondContact CB-OG1 3.27Å; D903-T906 PolarHBondContact OD1-N 2.57Å; D903-T906 PolarHBondContact OD1-OG1 3.5Å; T906-Q908 PolarHBondContact O-N 2.75Å
907E91.4Very high91.1Very high160 Ų16086.1 Ų86.175%0.74844%0.437SS*.  trans58.621.1-173.2-56.5-179.3172.400113.7L902 D903L902-E907 VanDerWaalsContact CD1-O 3.29Å; L902-E907 WeakPolarHBondContact CD1-O 3.29Å; D903-E907 WeakPolarHBondContact O-CA 3.44Å; D903-E907 PolarHBondContact O-N 2.57Å
908Q90.8Very high91.2Very high92 Ų9286.2 Ų86.243%0.4344%0.441SS..PPolyproline II helixtrans-84.3133179.6-68.2-1745.200112.2D903 T906D903-Q908 HydrophobicContact CB-CB 4.41Å; D903-Q908 WeakPolarHBondContact CB-O 3.38Å; D903-Q908 PolarHBondContact N-O 3.48Å; T906-Q908 PolarHBondContact O-N 2.75Å
909V90.7Very high91.1Very high30 Ų3082.1 Ų82.118%0.18243%0.432CS..EExtended strand (participates in β ladder)trans-77.5128.8178.7-171.70000110.7R302 E414 I900 D901 L902 L912R302-V909 PolarHBondContact NH2-O 3.36Å; E414-V909 WeakPolarHBondContact OE1-CB 3.37Å; E414-V909 PolarHBondContact OE1-N 3.27Å; I900-V909 HydrophobicContact CG2-CG1 4.38Å; D901-V909 CarbonylContact O-C 3.57Å; D901-V909 WeakPolarHBondContact O-CA 3.19Å; L902-V909 HydrophobicContact CD1-CG2 4.16Å; V909-L912 HydrophobicContact CG1-CB 3.99Å; V909-L912 HydrophobicContact CG1-CD2 4.26Å
910K90.1Very high91.2Very high103 Ų10381.6 Ų81.645%0.44843%0.429SS..EExtended strand (participates in β ladder)trans-103.3149.6175.4-66.5174.5-177.8160.20109.9I900 D901 D903 L912I900-K910 VanDerWaalsContact CA-O 3.24Å; I900-K910 WeakPolarHBondContact CA-O 3.33Å; D901-K910 HydrophobicContact CB-CB 4.45Å; D901-K910 PolarHBondContact N-O 2.81Å; D901-K910 VanDerWaalsContact N-O 3.09Å; D901-K910 PolarHBondContact O-N 3.33Å; D903-K910 WeakPolarHBondContact OD2-CE 3.46Å; D903-K910 IonicContact OD2-NZ 3.17Å; D903-K910 PolarHBondContact OD2-NZ 3.28Å; K910-L912 VanDerWaalsContact C-N 3.28Å; K910-L912 PolarHBondContact O-N 2.96Å; K910-L912 VanDerWaalsContact O-N 3.13Å
911G86.1Confident91.1Very high37 Ų3785.1 Ų85.138%0.38145%0.448SS..SBendtrans64.112171.900000118.8D899 I900 F913D899-G911 VanDerWaalsContact O-CA 3.27Å; D899-G911 WeakPolarHBondContact O-CA 3.07Å; I900-G911 WeakPolarHBondContact CG1-O 3.42Å; G911-F913 VanDerWaalsContact C-N 3.3Å; G911-F913 PolarHBondContact O-N 2.96Å
912L84.1Confident90.9Very high4 Ų483 Ų832%0.02144%0.436CS..  trans-70.6-24.1174.9-162.365.2000113.4T395 G400 E414 L418 I900 V909 K910T395-L912 HydrophobicContact CG2-CD1 3.32Å; T395-L912 HydrophobicContact CG2-CG 4Å; G400-L912 PolarHBondContact N-O 3.06Å; E414-L912 HydrophobicContact CG-CD2 4.44Å; L418-L912 HydrophobicContact CD1-CD2 4.3Å; L418-L912 HydrophobicContact CD2-CD1 4.35Å; L418-L912 HydrophobicContact CD2-CD2 4.29Å; L418-L912 HydrophobicContact CG-CD2 4.23Å; I900-L912 HydrophobicContact CD1-CD1 3.67Å; I900-L912 HydrophobicContact CG1-CD1 4.27Å; V909-L912 HydrophobicContact CG1-CB 3.99Å; V909-L912 HydrophobicContact CG1-CD2 4.26Å; K910-L912 VanDerWaalsContact C-N 3.28Å; K910-L912 PolarHBondContact O-N 2.96Å; K910-L912 VanDerWaalsContact O-N 3.13Å
913F81.5Confident90.5Very high60 Ų6082.5 Ų82.526%0.26343%0.434SS..  trans-128.90-173.3-57.7-69.1000112.6I298 K399 M413 E414 N417 G911I298-F913 HydrophobicContact CB-CB 4.14Å; I298-F913 HydrophobicContact CB-CD2 3.86Å; I298-F913 HydrophobicContact CB-CG 4.31Å; I298-F913 HydrophobicContact CD1-CD2 3.71Å; I298-F913 HydrophobicContact CD1-CE2 3.85Å; I298-F913 HydrophobicContact CG1-CD2 3.85Å; I298-F913 HydrophobicContact CG1-CE2 4.48Å; I298-F913 HydrophobicContact CG2-CB 4.3Å; K399-F913 WeakPolarHBondContact CD-OXT 3.44Å; K399-F913 PolarHBondContact NZ-OXT 3.15Å; M413-F913 HydrophobicContact CB-CE2 4.38Å; M413-F913 HydrophobicContact CB-CZ 4.23Å; M413-F913 HydrophobicContact CE-CD1 3.45Å; M413-F913 VanDerWaalsContact CE-CD1 3.45Å; M413-F913 HydrophobicContact CE-CE1 3.54Å; M413-F913 HydrophobicContact CE-CG 4.14Å; M413-F913 HydrophobicContact CE-CZ 4.27Å; M413-F913 HydrophobicContact CG-CD1 4.46Å; M413-F913 HydrophobicContact CG-CE1 3.82Å; M413-F913 HydrophobicContact CG-CE2 4.09Å; M413-F913 HydrophobicContact CG-CZ 3.6Å; M413-F913 HydrophobicContact SD-CD1 3.78Å; M413-F913 HydrophobicContact SD-CD2 4.11Å; M413-F913 HydrophobicContact SD-CE1 3.75Å; M413-F913 HydrophobicContact SD-CE2 4.05Å; M413-F913 HydrophobicContact SD-CG 3.97Å; M413-F913 HydrophobicContact SD-CZ 3.88Å; E414-F913 HydrophobicContact CG-CE2 3.89Å; N417-F913 HydrophobicContact CB-CE1 4.32Å; N417-F913 HydrophobicContact CB-CZ 4.1Å; N417-F913 WeakPolarHBondContact ND2-CE1 3.24Å; G911-F913 VanDerWaalsContact C-N 3.3Å; G911-F913 PolarHBondContact O-N 2.96Å

Retrieved 913 of 913 residues in 909.5 ms (Link to these results)

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