A0A5K4EE90_SCHMA Loading...

dynamin GTPase

AlphaFold DB , UniProt , Accession A0A5K4EE90, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 864 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
1M32.1Very low58.9Low239 Ų23976.7 Ų76.7100%1.17743%0.427SS*.  0103.20-63.3-175.3-167.400107G3M1-G3 PolarHBondContact O-N 3.4Å
2S33.6Very low60.8Low131 Ų13174.4 Ų74.492%0.91642%0.418SS*.  trans-67.380.2163490000106.3
3G42.9Very low62.5Low34 Ų3469.1 Ų69.135%0.35139%0.387SS..  trans-56.3143.8-171.800000109.8M1 I5M1-G3 PolarHBondContact O-N 3.4Å; G3-I5 PolarHBondContact O-N 2.87Å
4N53.1Low63.9Low57 Ų5764.6 Ų64.631%0.30536%0.363SS..  trans-58.483.8166.4-87.8-47.8000108.1G6 M7 E8 T740 V741N4-G6 PolarHBondContact O-N 3Å; N4-G6 VanDerWaalsContact O-N 3.09Å; N4-M7 HydrophobicContact CB-CB 3.63Å; N4-M7 HydrophobicContact CB-CG 3.32Å; N4-M7 WeakPolarHBondContact O-CA 3.18Å; N4-M7 VanDerWaalsContact O-CB 3.31Å; N4-M7 WeakPolarHBondContact O-CB 3.26Å; N4-M7 PolarHBondContact O-N 3.2Å; N4-E8 PolarHBondContact O-N 2.68Å; N4-T740 HydrophobicContact CB-CG2 3.96Å; N4-T740 WeakPolarHBondContact OD1-CB 3.2Å; N4-V741 PolarHBondContact ND2-N 3.28Å; N4-V741 PolarHBondContact ND2-O 3.19Å; N4-V741 PolarHBondContact OD1-N 3.41Å
5I56.9Low64.9Low119 Ų11960.8 Ų60.861%0.6134%0.341SS*.Hα-helixtrans-53.7-36.3-179.7-67.6163000109.9G3 M7 E8 Q9G3-I5 PolarHBondContact O-N 2.87Å; I5-M7 VanDerWaalsContact C-N 3.34Å; I5-M7 PolarHBondContact O-N 2.99Å; I5-E8 PolarHBondContact O-N 2.68Å; I5-Q9 WeakPolarHBondContact O-CG 3.28Å; I5-Q9 PolarHBondContact O-N 3.18Å
6G60.4Low65.9Low16 Ų1663.8 Ų63.817%0.16535%0.346CS..Hα-helixtrans-62.2-32.9174.200000114.5N4 Q9 L10N4-G6 PolarHBondContact O-N 3Å; N4-G6 VanDerWaalsContact O-N 3.09Å; G6-Q9 PolarHBondContact O-N 3.33Å; G6-L10 WeakPolarHBondContact O-CG 3.33Å
7M63.2Low66.8Low22 Ų2260.1 Ų60.111%0.10833%0.325CS..Hα-helixtrans-68.9-40.6177.4-76.5-81.6-141.200111.1N4 I5 Q9 L10 T287 R291 T740 V741N4-M7 HydrophobicContact CB-CB 3.63Å; N4-M7 HydrophobicContact CB-CG 3.32Å; N4-M7 WeakPolarHBondContact O-CA 3.18Å; N4-M7 VanDerWaalsContact O-CB 3.31Å; N4-M7 WeakPolarHBondContact O-CB 3.26Å; N4-M7 PolarHBondContact O-N 3.2Å; I5-M7 VanDerWaalsContact C-N 3.34Å; I5-M7 PolarHBondContact O-N 2.99Å; M7-Q9 PolarHBondContact O-N 3.07Å; M7-L10 PolarHBondContact O-N 3.03Å; M7-L10 HydrophobicContact SD-CD1 4.39Å; M7-T287 HydrophobicContact CB-CG2 3.8Å; M7-T287 HydrophobicContact CG-CG2 4.17Å; M7-T287 WeakPolarHBondContact O-CG2 3.38Å; M7-T287 HydrophobicContact SD-CG2 3.31Å; M7-T287 WeakPolarHBondContact SD-CG2 3.33Å; M7-R291 PolarHBondContact SD-NH1 3.14Å; M7-T740 HydrophobicContact CG-CG2 4.03Å; M7-T740 WeakPolarHBondContact CG-OG1 3.48Å; M7-V741 WeakPolarHBondContact CE-O 3.36Å
8E67.8Low67.5Low125 Ų12557.8 Ų57.858%0.58431%0.312SS*.Hα-helixtrans-67.1-24.5-178.7-66177.6-176.100112N4 I5 P12N4-E8 PolarHBondContact O-N 2.68Å; I5-E8 PolarHBondContact O-N 2.68Å; E8-P12 VanDerWaalsContact O-CD 3.26Å; E8-P12 WeakPolarHBondContact O-CD 3.32Å
9Q76.8Confident67.8Low93 Ų9356.4 Ų56.444%0.43531%0.305SS..Hα-helixtrans-87.1-13.5178.8-68.1-175.3-3.900114.5I5 G6 M7 I11 P12 L13 V736I5-Q9 WeakPolarHBondContact O-CG 3.28Å; I5-Q9 PolarHBondContact O-N 3.18Å; G6-Q9 PolarHBondContact O-N 3.33Å; M7-Q9 PolarHBondContact O-N 3.07Å; Q9-I11 PolarHBondContact O-N 2.91Å; Q9-P12 WeakPolarHBondContact O-CD 3.48Å; Q9-L13 WeakPolarHBondContact O-CB 3.36Å; Q9-L13 PolarHBondContact O-N 3.08Å; Q9-V736 HydrophobicContact CB-CG1 4.41Å; Q9-V736 HydrophobicContact CB-CG2 4.27Å
10L81.4Confident68.1Low4 Ų453.9 Ų53.92%0.02129%0.292CS..Hα-helixtrans-65.4-40.7-177.9-71.3179.8000113.1G6 M7 L13 V14 T287 I290 R291 L294 V736G6-L10 WeakPolarHBondContact O-CG 3.33Å; M7-L10 PolarHBondContact O-N 3.03Å; M7-L10 HydrophobicContact SD-CD1 4.39Å; L10-L13 WeakPolarHBondContact O-CB 3.3Å; L10-L13 PolarHBondContact O-N 3.33Å; L10-V14 WeakPolarHBondContact O-CG2 3.39Å; L10-V14 PolarHBondContact O-N 3.31Å; L10-T287 HydrophobicContact CD1-CG2 4.03Å; L10-I290 HydrophobicContact CB-CB 4.41Å; L10-I290 HydrophobicContact CB-CG2 3.92Å; L10-I290 HydrophobicContact CD1-CG2 4.47Å; L10-I290 HydrophobicContact CD2-CG2 4.35Å; L10-I290 HydrophobicContact CG-CG2 4.46Å; L10-R291 HydrophobicContact CD1-CB 4.04Å; L10-L294 HydrophobicContact CD2-CD2 4.13Å; L10-V736 HydrophobicContact CD2-CG1 4.03Å
11I80.1Confident68.4Low4 Ų452.1 Ų52.12%0.02128%0.281CS..Hα-helixtrans-68.1-49179.1-64.4172.7000111Q9 L13 V14 N15 N132 L286 T287 I290Q9-I11 PolarHBondContact O-N 2.91Å; I11-L13 PolarHBondContact O-N 3.45Å; I11-V14 PolarHBondContact O-N 3.1Å; I11-N15 VanDerWaalsContact O-CG 3.29Å; I11-N15 PolarHBondContact O-N 3.18Å; I11-N132 HydrophobicContact CB-CB 4.45Å; I11-N132 HydrophobicContact CD1-CB 4.44Å; I11-N132 WeakPolarHBondContact CD1-O 3.46Å; I11-N132 HydrophobicContact CG2-CB 4.35Å; I11-L286 HydrophobicContact CD1-CD2 3.93Å; I11-L286 HydrophobicContact CD1-CG 4.28Å; I11-L286 HydrophobicContact CG1-CD2 4.03Å; I11-L286 HydrophobicContact CG1-CG 4.24Å; I11-L286 HydrophobicContact CG2-CD2 4.49Å; I11-T287 WeakPolarHBondContact CD1-OG1 3.44Å; I11-I290 HydrophobicContact CB-CD1 4.4Å; I11-I290 HydrophobicContact CG1-CD1 3.65Å
12P81.7Confident70.2Confident49 Ų4943.1 Ų43.132%0.31824%0.242SC..Hα-helixtrans-54-36.4170.5-28.234.1000114.2E8 Q9 N15 R16E8-P12 VanDerWaalsContact O-CD 3.26Å; E8-P12 WeakPolarHBondContact O-CD 3.32Å; Q9-P12 WeakPolarHBondContact O-CD 3.48Å; P12-N15 PolarHBondContact O-N 3.06Å; P12-R16 WeakPolarHBondContact O-CG 3.35Å; P12-R16 PolarHBondContact O-N 3.33Å
13L82.6Confident71.8Confident5 Ų541.2 Ų41.23%0.02623%0.228CC..Hα-helixtrans-64-47176.7177134.8000112.1Q9 L10 I11 N15 R16 L17 L294 I732 V736Q9-L13 WeakPolarHBondContact O-CB 3.36Å; Q9-L13 PolarHBondContact O-N 3.08Å; L10-L13 WeakPolarHBondContact O-CB 3.3Å; L10-L13 PolarHBondContact O-N 3.33Å; I11-L13 PolarHBondContact O-N 3.45Å; L13-N15 VanDerWaalsContact C-N 3.28Å; L13-N15 PolarHBondContact O-N 3.44Å; L13-R16 PolarHBondContact O-N 3.1Å; L13-L17 HydrophobicContact CD2-CD1 3.99Å; L13-L17 WeakPolarHBondContact O-CG 3.39Å; L13-L17 PolarHBondContact O-N 3.25Å; L13-L294 HydrophobicContact CD2-CD1 3.94Å; L13-L294 HydrophobicContact CD2-CD2 3.69Å; L13-I732 HydrophobicContact CD1-CG2 4.2Å; L13-I732 WeakPolarHBondContact CD1-O 3.49Å; L13-I732 HydrophobicContact CG-CG2 3.94Å; L13-V736 HydrophobicContact CB-CG2 4.4Å; L13-V736 HydrophobicContact CD1-CB 3.69Å; L13-V736 HydrophobicContact CD1-CG2 3.33Å
14V81.6Confident72.9Confident7 Ų740.6 Ų40.64%0.04222%0.217CC..Hα-helixtrans-63.8-36.1176.21740000111.4L10 I11 L17 Q18 P33 I290L10-V14 WeakPolarHBondContact O-CG2 3.39Å; L10-V14 PolarHBondContact O-N 3.31Å; I11-V14 PolarHBondContact O-N 3.1Å; V14-L17 WeakPolarHBondContact O-CB 3.31Å; V14-L17 PolarHBondContact O-N 3.5Å; V14-Q18 WeakPolarHBondContact O-CB 3.33Å; V14-Q18 PolarHBondContact O-N 3.07Å; V14-P33 HydrophobicContact CG1-CG 4.34Å; V14-P33 HydrophobicContact CG2-CG 3.9Å; V14-I290 HydrophobicContact CB-CD1 4.33Å; V14-I290 HydrophobicContact CG2-CB 4.36Å; V14-I290 HydrophobicContact CG2-CD1 3.77Å; V14-I290 HydrophobicContact CG2-CG1 3.87Å; V14-I290 HydrophobicContact CG2-CG2 3.54Å
15N79.6Confident73Confident7 Ų741.3 Ų41.34%0.03724%0.238CC..Hα-helixtrans-62-45.3174.9-66.4-15.2000111.4I11 P12 L13 L17 Q18 D19 T134I11-N15 VanDerWaalsContact O-CG 3.29Å; I11-N15 PolarHBondContact O-N 3.18Å; P12-N15 PolarHBondContact O-N 3.06Å; L13-N15 VanDerWaalsContact C-N 3.28Å; L13-N15 PolarHBondContact O-N 3.44Å; N15-L17 VanDerWaalsContact C-N 3.3Å; N15-L17 PolarHBondContact O-N 3.47Å; N15-Q18 WeakPolarHBondContact O-CB 3.42Å; N15-Q18 PolarHBondContact O-N 2.87Å; N15-D19 PolarHBondContact O-N 3.06Å; N15-D19 VanDerWaalsContact O-OD2 3.11Å; N15-T134 PolarHBondContact ND2-OG1 3.38Å; N15-T134 PolarHBondContact OD1-OG1 2.82Å
16R81.5Confident73Confident109 Ų10936.9 Ų36.941%0.41122%0.216SC..Hα-helixtrans-60.1-39.5174.4-74174.464.1-170.9-2.6112.4P12 L13 D19 A20 I732 E735P12-R16 WeakPolarHBondContact O-CG 3.35Å; P12-R16 PolarHBondContact O-N 3.33Å; L13-R16 PolarHBondContact O-N 3.1Å; R16-D19 PolarHBondContact O-N 2.62Å; R16-A20 WeakPolarHBondContact O-CB 3.43Å; R16-A20 PolarHBondContact O-N 3.38Å; R16-I732 HydrophobicContact CB-CD1 4.16Å; R16-I732 HydrophobicContact CB-CG2 4.03Å; R16-E735 IonicContact CZ-OE1 2.89Å; R16-E735 IonicContact CZ-OE2 2.75Å; R16-E735 IonicContact NH1-OE1 3.74Å; R16-E735 IonicContact NH1-OE2 3.69Å; R16-E735 PolarHBondContact NH1-OE2 3.3Å; R16-E735 IonicContact NH2-OE1 2.93Å; R16-E735 PolarHBondContact NH2-OE1 3.37Å; R16-E735 IonicContact NH2-OE2 3.21Å; R16-E735 PolarHBondContact NH2-OE2 3.47Å
17L81.3Confident72.5Confident0 Ų041.4 Ų41.40%024%0.243CC..Hα-helixtrans-63.5-47174.5-69.3174.9000111.3L13 V14 N15 D19 A20 F21 L32 L294 L297 A729 I732 I733L13-L17 HydrophobicContact CD2-CD1 3.99Å; L13-L17 WeakPolarHBondContact O-CG 3.39Å; L13-L17 PolarHBondContact O-N 3.25Å; V14-L17 WeakPolarHBondContact O-CB 3.31Å; V14-L17 PolarHBondContact O-N 3.5Å; N15-L17 VanDerWaalsContact C-N 3.3Å; N15-L17 PolarHBondContact O-N 3.47Å; L17-D19 VanDerWaalsContact C-N 3.27Å; L17-D19 PolarHBondContact O-N 3.25Å; L17-A20 PolarHBondContact O-N 2.95Å; L17-F21 HydrophobicContact CB-CD2 4.48Å; L17-F21 HydrophobicContact CB-CE2 4.24Å; L17-F21 HydrophobicContact CD2-CE2 4.36Å; L17-F21 WeakPolarHBondContact O-CD2 3.29Å; L17-F21 PolarHBondContact O-N 3.45Å; L17-L32 HydrophobicContact CB-CD1 4.5Å; L17-L32 HydrophobicContact CB-CD2 4.18Å; L17-L32 HydrophobicContact CD1-CD2 4.42Å; L17-L294 HydrophobicContact CD1-CD1 4.32Å; L17-L297 HydrophobicContact CD1-CD2 4.44Å; L17-A729 HydrophobicContact CD2-CB 3.59Å; L17-A729 WeakPolarHBondContact CD2-O 3.24Å; L17-I732 HydrophobicContact CD2-CB 4.01Å; L17-I732 HydrophobicContact CD2-CD1 4.23Å; L17-I732 HydrophobicContact CD2-CG2 3.97Å; L17-I732 HydrophobicContact CG-CG2 4.06Å; L17-I733 HydrophobicContact CD1-CD1 4.21Å; L17-I733 HydrophobicContact CD1-CG1 3.91Å; L17-I733 HydrophobicContact CD2-CD1 4.42Å; L17-I733 HydrophobicContact CD2-CG1 4.14Å
18Q78.2Confident71.9Confident20 Ų2041.9 Ų41.99%0.09325%0.246CC..Hα-helixtrans-59.2-39.6178.1-170.2175.221.400111.8V14 N15 S22 L32 V71V14-Q18 WeakPolarHBondContact O-CB 3.33Å; V14-Q18 PolarHBondContact O-N 3.07Å; N15-Q18 WeakPolarHBondContact O-CB 3.42Å; N15-Q18 PolarHBondContact O-N 2.87Å; Q18-S22 VanDerWaalsContact O-CB 3.23Å; Q18-S22 WeakPolarHBondContact O-CB 3.33Å; Q18-S22 PolarHBondContact O-N 2.92Å; Q18-S22 PolarHBondContact O-OG 3.4Å; Q18-L32 HydrophobicContact CB-CD1 3.75Å; Q18-L32 HydrophobicContact CG-CD1 4.2Å; Q18-V71 VanDerWaalsContact NE2-CG1 3.32Å
19D73.4Confident71.4Confident31 Ų3142.1 Ų42.117%0.16625%0.251CS..Hα-helixtrans-66.9-48.2176.8-58.9-37.2000112.1N15 R16 L17 F21 S22 S23 R124N15-D19 PolarHBondContact O-N 3.06Å; N15-D19 VanDerWaalsContact O-OD2 3.11Å; R16-D19 PolarHBondContact O-N 2.62Å; L17-D19 VanDerWaalsContact C-N 3.27Å; L17-D19 PolarHBondContact O-N 3.25Å; D19-F21 PolarHBondContact O-N 3.14Å; D19-S22 PolarHBondContact O-N 3.49Å; D19-S23 WeakPolarHBondContact O-CB 3.48Å; D19-S23 PolarHBondContact O-N 3.39Å; D19-S23 PolarHBondContact O-OG 3.3Å; D19-R124 IonicContact OD1-CZ 3.58Å; D19-R124 IonicContact OD1-NH2 2.6Å; D19-R124 PolarHBondContact OD1-NH2 3.08Å; D19-R124 IonicContact OD2-CZ 2.69Å; D19-R124 IonicContact OD2-NH2 3.26Å; D19-R124 PolarHBondContact OD2-NH2 2.78Å
20A73.6Confident70.8Confident6 Ų638.5 Ų38.55%0.0524%0.235CC..Hα-helixtrans-54-46.9177.800000109.6R16 L17 S23 L24 I732R16-A20 WeakPolarHBondContact O-CB 3.43Å; R16-A20 PolarHBondContact O-N 3.38Å; L17-A20 PolarHBondContact O-N 2.95Å; A20-S23 PolarHBondContact O-OG 3.47Å; A20-L24 WeakPolarHBondContact O-CG 3.5Å; A20-I732 HydrophobicContact CB-CD1 4.32Å
21F74.3Confident70.4Confident17 Ų1740.1 Ų40.18%0.07524%0.244CC..Hα-helixtrans-72.6-41.1178.8-63.8-54.5000114.3L17 D19 S23 L24 L28 L30 L32 L301 A729L17-F21 HydrophobicContact CB-CD2 4.48Å; L17-F21 HydrophobicContact CB-CE2 4.24Å; L17-F21 HydrophobicContact CD2-CE2 4.36Å; L17-F21 WeakPolarHBondContact O-CD2 3.29Å; L17-F21 PolarHBondContact O-N 3.45Å; D19-F21 PolarHBondContact O-N 3.14Å; F21-S23 PolarHBondContact O-N 2.88Å; F21-L24 HydrophobicContact CD1-CD1 3.88Å; F21-L24 WeakPolarHBondContact O-CB 3.47Å; F21-L24 PolarHBondContact O-N 2.83Å; F21-L28 HydrophobicContact CD1-CB 4.23Å; F21-L28 HydrophobicContact CD1-CD1 3.52Å; F21-L28 HydrophobicContact CD1-CG 4.44Å; F21-L28 HydrophobicContact CE1-CD1 3.85Å; F21-L30 HydrophobicContact CD1-CD1 3.66Å; F21-L30 HydrophobicContact CD2-CD1 3.85Å; F21-L30 HydrophobicContact CE1-CD1 3.19Å; F21-L30 HydrophobicContact CE2-CD1 3.41Å; F21-L30 VanDerWaalsContact CE2-CD1 3.41Å; F21-L30 HydrophobicContact CG-CD1 3.98Å; F21-L30 HydrophobicContact CZ-CD1 3.05Å; F21-L32 HydrophobicContact CD2-CD1 4.39Å; F21-L301 HydrophobicContact CZ-CD1 4.48Å; F21-L301 HydrophobicContact CZ-CD2 4.06Å; F21-A729 HydrophobicContact CE1-CB 4.08Å; F21-A729 HydrophobicContact CE2-CB 3.99Å; F21-A729 HydrophobicContact CZ-CB 3.32Å
22S70.7Confident70.4Confident50 Ų5040.7 Ų40.735%0.3525%0.247SC..Hα-helixtrans-63.9-32178.9-60.50000112.2Q18 D19 L24Q18-S22 VanDerWaalsContact O-CB 3.23Å; Q18-S22 WeakPolarHBondContact O-CB 3.33Å; Q18-S22 PolarHBondContact O-N 2.92Å; Q18-S22 PolarHBondContact O-OG 3.4Å; D19-S22 PolarHBondContact O-N 3.49Å; S22-L24 PolarHBondContact O-N 2.84Å
23S66.7Low70.5Confident90 Ų9038.5 Ų38.563%0.62923%0.232SC*.THydrogen-bonded Turntrans-68.4-19.2179.177.80000114.1D19 A20 F21D19-S23 WeakPolarHBondContact O-CB 3.48Å; D19-S23 PolarHBondContact O-N 3.39Å; D19-S23 PolarHBondContact O-OG 3.3Å; A20-S23 PolarHBondContact O-OG 3.47Å; F21-S23 PolarHBondContact O-N 2.88Å
24L65.2Low70.7Confident21 Ų2139.6 Ų39.611%0.1124%0.237CC..THydrogen-bonded Turntrans-78.2-23.7-175.3-58.6162.5000112.8A20 F21 S22 V26 L28 R721 A725A20-L24 WeakPolarHBondContact O-CG 3.5Å; F21-L24 HydrophobicContact CD1-CD1 3.88Å; F21-L24 WeakPolarHBondContact O-CB 3.47Å; F21-L24 PolarHBondContact O-N 2.83Å; S22-L24 PolarHBondContact O-N 2.84Å; L24-V26 HydrophobicContact CB-CB 4.4Å; L24-V26 HydrophobicContact CB-CG2 4.46Å; L24-V26 PolarHBondContact O-N 2.94Å; L24-V26 VanDerWaalsContact O-N 3.14Å; L24-L28 HydrophobicContact CD1-CD1 3.52Å; L24-R721 HydrophobicContact CD2-CG 3.76Å; L24-A725 HydrophobicContact CD1-CB 3.21Å; L24-A725 HydrophobicContact CD2-CB 3.49Å; L24-A725 VanDerWaalsContact CD2-CB 3.49Å; L24-A725 HydrophobicContact CG-CB 3.91Å
25G57Low71.4Confident73 Ų7339.2 Ų39.275%0.75324%0.235SC*.  trans64.85.8-171.100000114.2
26V55.8Low72.1Confident25 Ų2538.9 Ų38.915%0.15223%0.233CC..SBendtrans-100.4129.8176.7-178.10000108L24 L28 E718 V722L24-V26 HydrophobicContact CB-CB 4.4Å; L24-V26 HydrophobicContact CB-CG2 4.46Å; L24-V26 PolarHBondContact O-N 2.94Å; L24-V26 VanDerWaalsContact O-N 3.14Å; V26-L28 PolarHBondContact O-N 2.95Å; V26-E718 HydrophobicContact CG2-CG 4Å; V26-V722 HydrophobicContact CB-CG2 4.27Å; V26-V722 HydrophobicContact CG1-CG2 3.88Å; V26-V722 HydrophobicContact CG2-CG2 4.22Å
27P49.3Very low72.8Confident112 Ų11233.8 Ų33.873%0.72721%0.214SC*.  trans-69.781.7171.429.5-32.4000108.9N29P27-N29 PolarHBondContact O-N 3.22Å; P27-N29 VanDerWaalsContact O-N 3.17Å
28L51.5Low73.5Confident32 Ų3233.9 Ų33.917%0.16822%0.215CC..  trans-68110.9161.9-93152.7000106.6F21 L24 V26 L30 V722 M726F21-L28 HydrophobicContact CD1-CB 4.23Å; F21-L28 HydrophobicContact CD1-CD1 3.52Å; F21-L28 HydrophobicContact CD1-CG 4.44Å; F21-L28 HydrophobicContact CE1-CD1 3.85Å; L24-L28 HydrophobicContact CD1-CD1 3.52Å; V26-L28 PolarHBondContact O-N 2.95Å; L28-L30 HydrophobicContact CB-CD1 3.86Å; L28-L30 HydrophobicContact CB-CG 4.01Å; L28-L30 HydrophobicContact CD2-CD1 4.08Å; L28-L30 HydrophobicContact CD2-CG 4.3Å; L28-L30 HydrophobicContact CG-CD1 4.39Å; L28-L30 PolarHBondContact O-N 3.28Å; L28-V722 HydrophobicContact CD1-CG1 4.21Å; L28-V722 HydrophobicContact CD1-CG2 4.49Å; L28-V722 HydrophobicContact CD2-CG1 3.95Å; L28-V722 HydrophobicContact CG-CG1 4.37Å; L28-M726 HydrophobicContact CD2-CE 3.54Å
29N57.9Low74.3Confident129 Ų12932.9 Ų32.969%0.6921%0.21SC*.  trans-66.765.6172.7-73.6-20.9000110.3P27P27-N29 PolarHBondContact O-N 3.22Å; P27-N29 VanDerWaalsContact O-N 3.17Å
30L64.1Low75.2Confident18 Ų1832.9 Ų32.99%0.09421%0.213CC..  trans-110.6107.9178.4-66.3174.5000107.8F21 L28 L32 L297 L301F21-L30 HydrophobicContact CD1-CD1 3.66Å; F21-L30 HydrophobicContact CD2-CD1 3.85Å; F21-L30 HydrophobicContact CE1-CD1 3.19Å; F21-L30 HydrophobicContact CE2-CD1 3.41Å; F21-L30 VanDerWaalsContact CE2-CD1 3.41Å; F21-L30 HydrophobicContact CG-CD1 3.98Å; F21-L30 HydrophobicContact CZ-CD1 3.05Å; L28-L30 HydrophobicContact CB-CD1 3.86Å; L28-L30 HydrophobicContact CB-CG 4.01Å; L28-L30 HydrophobicContact CD2-CD1 4.08Å; L28-L30 HydrophobicContact CD2-CG 4.3Å; L28-L30 HydrophobicContact CG-CD1 4.39Å; L28-L30 PolarHBondContact O-N 3.28Å; L30-L32 PolarHBondContact O-N 2.87Å; L30-L297 HydrophobicContact CD2-CD1 4.22Å; L30-L301 HydrophobicContact CD1-CD2 3.58Å; L30-L301 HydrophobicContact CD2-CD2 3.51Å; L30-L301 HydrophobicContact CD2-CG 4.15Å; L30-L301 HydrophobicContact CG-CD2 4.21Å
31D72.2Confident75.8Confident38 Ų3835.8 Ų35.820%0.20323%0.225CC..  trans-76.679.6-176.6-43.6-49.3000108.4Q167 N169 K300D31-Q167 HydrophobicContact CB-CB 4.45Å; D31-Q167 VanDerWaalsContact OD1-CD 3.26Å; D31-Q167 PolarHBondContact OD1-OE1 2.85Å; D31-N169 HydrophobicContact CB-CB 4.15Å; D31-N169 WeakPolarHBondContact O-CB 3.29Å; D31-N169 PolarHBondContact O-ND2 2.8Å; D31-K300 IonicContact OD2-NZ 3.03Å; D31-K300 PolarHBondContact OD2-NZ 2.91Å; D31-K300 VanDerWaalsContact OD2-NZ 3.15Å
32L80.4Confident76.4Confident16 Ų1639.2 Ų39.28%0.08425%0.251CS..  trans-67.2140.1178.5-66.7179.9000110.3L17 Q18 F21 L30 Q34 L297L17-L32 HydrophobicContact CB-CD1 4.5Å; L17-L32 HydrophobicContact CB-CD2 4.18Å; L17-L32 HydrophobicContact CD1-CD2 4.42Å; Q18-L32 HydrophobicContact CB-CD1 3.75Å; Q18-L32 HydrophobicContact CG-CD1 4.2Å; F21-L32 HydrophobicContact CD2-CD1 4.39Å; L30-L32 PolarHBondContact O-N 2.87Å; L32-Q34 WeakPolarHBondContact O-CG 3.33Å; L32-Q34 PolarHBondContact O-N 2.98Å; L32-L297 HydrophobicContact CD2-CD2 3.71Å
33P83.2Confident77.4Confident3 Ų336.8 Ų36.82%0.01923%0.234CC..  trans-64.7119173.925.4-33.8000111.2V14 N169 I290 T293V14-P33 HydrophobicContact CG1-CG 4.34Å; V14-P33 HydrophobicContact CG2-CG 3.9Å; P33-N169 WeakPolarHBondContact CA-O 3.3Å; P33-I290 HydrophobicContact CB-CB 4.44Å; P33-I290 HydrophobicContact CB-CG1 3.8Å; P33-I290 HydrophobicContact CG-CB 4.17Å; P33-I290 HydrophobicContact CG-CG1 3.69Å; P33-I290 HydrophobicContact CG-CG2 4.24Å; P33-T293 WeakPolarHBondContact CB-OG1 3.48Å
34Q88.3Confident78.5Confident27 Ų2733.1 Ų33.113%0.12621%0.211CC..EExtended strand (participates in β ladder)trans-152.8165.7-17464-166.719.900111.5L32 I136 N169 C170 L171L32-Q34 WeakPolarHBondContact O-CG 3.33Å; L32-Q34 PolarHBondContact O-N 2.98Å; Q34-I136 HydrophobicContact CB-CD1 4.3Å; Q34-I136 HydrophobicContact CG-CD1 3.99Å; Q34-I136 VanDerWaalsContact NE2-CD1 3.34Å; Q34-N169 PolarHBondContact N-O 3.5Å; Q34-C170 HydrophobicContact CG-CB 4.47Å; Q34-L171 PolarHBondContact O-N 2.87Å
35I94.4Very high79.8Confident0 Ų032.6 Ų32.60%021%0.207CC..EExtended strand (participates in β ladder)trans-110.6122.5172-63.4157.7000109.3L133 L135 I136 L171 L173 L282 L286I35-L133 HydrophobicContact CD1-CD1 3.94Å; I35-L135 HydrophobicContact CB-CD2 3.66Å; I35-L135 HydrophobicContact CD1-CD2 3.79Å; I35-L135 HydrophobicContact CG1-CD2 4.35Å; I35-L135 HydrophobicContact CG2-CD2 3.63Å; I35-L135 CarbonylContact O-C 3.55Å; I35-L135 WeakPolarHBondContact O-CA 3.09Å; I35-I136 PolarHBondContact O-N 3.43Å; I35-L171 CarbonylContact C-O 3.46Å; I35-L171 WeakPolarHBondContact CA-O 3.48Å; I35-L171 HydrophobicContact CB-CB 4.44Å; I35-L171 HydrophobicContact CG1-CB 3.8Å; I35-L171 HydrophobicContact CG1-CD1 3.95Å; I35-L171 HydrophobicContact CG1-CG 4.41Å; I35-L173 HydrophobicContact CG2-CB 3.83Å; I35-L282 HydrophobicContact CD1-CB 4.11Å; I35-L282 HydrophobicContact CD1-CD2 4.21Å; I35-L286 HydrophobicContact CD1-CB 3.87Å; I35-L286 HydrophobicContact CD1-CD1 4.46Å; I35-L286 HydrophobicContact CD1-CD2 4.34Å; I35-L286 HydrophobicContact CD1-CG 4.44Å; I35-L286 HydrophobicContact CG1-CD1 4.32Å
36A95.3Very high81.5Confident0 Ų030.5 Ų30.50%018%0.181CC..EExtended strand (participates in β ladder)trans-101.1130.6172.100000111L138 I165 C170 L171 L173A36-L138 HydrophobicContact CB-CD1 3.92Å; A36-I165 HydrophobicContact CB-CG2 3.98Å; A36-C170 WeakPolarHBondContact CB-SG 3.29Å; A36-L171 PolarHBondContact N-O 3.11Å; A36-L173 PolarHBondContact O-N 3.49Å
37V96.6Very high83.2Confident1 Ų130.5 Ų30.51%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-93.3114.8178.9-169.10000109.4K45 L49 L135 I136 L138 L173 V175V37-K45 HydrophobicContact CG1-CB 4Å; V37-K45 HydrophobicContact CG1-CD 4.02Å; V37-K45 HydrophobicContact CG1-CG 3.89Å; V37-L49 HydrophobicContact CG2-CD2 4.28Å; V37-L135 HydrophobicContact CG2-CB 4.46Å; V37-I136 PolarHBondContact N-O 3.06Å; V37-L138 PolarHBondContact O-N 3Å; V37-L173 HydrophobicContact CG1-CD2 4.28Å; V37-L173 HydrophobicContact CG2-CB 4.3Å; V37-L173 HydrophobicContact CG2-CD2 3.97Å; V37-V175 HydrophobicContact CG1-CG2 3.61Å
38V95.8Very high85.3Confident2 Ų225.2 Ų25.21%0.01215%0.148CC..EExtended strand (participates in β ladder)trans-119139.9-177.5-176.30000109.5L138 I161 I165 I172 L173 V175 A187 L190V38-L138 HydrophobicContact CG2-CD1 4.03Å; V38-I161 HydrophobicContact CG1-CD1 4.45Å; V38-I161 HydrophobicContact CG1-CG2 4.05Å; V38-I161 HydrophobicContact CG2-CG2 3.88Å; V38-I165 HydrophobicContact CG2-CG2 3.75Å; V38-I172 HydrophobicContact CB-CG2 4.49Å; V38-I172 HydrophobicContact CG2-CG2 4.27Å; V38-L173 PolarHBondContact N-O 3.03Å; V38-V175 PolarHBondContact O-N 2.96Å; V38-A187 HydrophobicContact CG1-CB 4.12Å; V38-L190 HydrophobicContact CG1-CD1 4.2Å
39G94Very high87.2Confident0 Ų023.8 Ų23.80%014%0.14CC..EExtended strand (participates in β ladder)trans178.8148.3-171.100000111K45 G140 M141 V175G39-K45 PolarHBondContact O-NZ 3.23Å; G39-G140 WeakPolarHBondContact O-CA 3.11Å; G39-M141 PolarHBondContact O-N 2.99Å; G39-V175 WeakPolarHBondContact CA-O 3.32Å
40S92.4Very high88.8Confident31 Ų3117.7 Ų17.722%0.21711%0.108CC..BIsolated β-bridgetrans-58.4162.3170.158.20000111.5S42 A43 K45S40-S42 PolarHBondContact O-N 3.2Å; S40-A43 VanDerWaalsContact O-CB 3.22Å; S40-A43 WeakPolarHBondContact O-CB 3.48Å; S40-A43 PolarHBondContact O-N 3.41Å; S40-A43 VanDerWaalsContact O-N 3.15Å; S40-K45 PolarHBondContact O-NZ 3.41Å
41Q87.8Confident90.1Very high67 Ų6717.3 Ų17.331%0.31311%0.106SC..THydrogen-bonded Turntrans-54.3135.1169.8-167.7-168.80.200109.7A43 G63 M141 T142Q41-A43 PolarHBondContact O-N 3.45Å; Q41-A43 VanDerWaalsContact O-N 3.15Å; Q41-G63 PolarHBondContact NE2-O 3.49Å; Q41-M141 PolarHBondContact N-O 2.87Å; Q41-T142 HydrophobicContact CB-CG2 4.06Å; Q41-T142 HydrophobicContact CG-CG2 4.33Å
42S86.9Confident91Very high88 Ų8815.7 Ų15.762%0.61510%0.097SC*.THydrogen-bonded Turntrans63.614.2-178.5-50.70000115.9S40 G44 K207S40-S42 PolarHBondContact O-N 3.2Å; S42-G44 PolarHBondContact O-N 3.43Å; S42-K207 WeakPolarHBondContact O-CE 3.43Å; S42-K207 PolarHBondContact O-NZ 3.25Å
43A90.3Very high91.5Very high0 Ų015 Ų150%09%0.093CC..SBendtrans-63.9-13.1169.100000113.3S40 Q41 V175 T206S40-A43 VanDerWaalsContact O-CB 3.22Å; S40-A43 WeakPolarHBondContact O-CB 3.48Å; S40-A43 PolarHBondContact O-N 3.41Å; S40-A43 VanDerWaalsContact O-N 3.15Å; Q41-A43 PolarHBondContact O-N 3.45Å; Q41-A43 VanDerWaalsContact O-N 3.15Å; A43-V175 HydrophobicContact CB-CG1 4.24Å; A43-T206 WeakPolarHBondContact O-CG2 3.33Å; A43-T206 PolarHBondContact O-OG1 3.3Å
44G90.5Very high91.7Very high13 Ų1315.7 Ų15.713%0.13410%0.101CC..SBendtrans95.614.8179.500000114.9S42 S46 S47 V48S42-G44 PolarHBondContact O-N 3.43Å; G44-S46 PolarHBondContact O-N 3.45Å; G44-S47 WeakPolarHBondContact O-CB 3.44Å; G44-S47 PolarHBondContact O-N 2.94Å; G44-S47 VanDerWaalsContact O-N 3.16Å; G44-V48 WeakPolarHBondContact O-CG2 3.12Å; G44-V48 PolarHBondContact O-N 3.37Å
45K93Very high91.7Very high10 Ų1020.1 Ų20.14%0.04312%0.117CC..Hα-helixtrans-49-60.6177.5-62.5-172.4-64-65.50112.8V37 G39 S40 S47 V48 L49 L138 V175V37-K45 HydrophobicContact CG1-CB 4Å; V37-K45 HydrophobicContact CG1-CD 4.02Å; V37-K45 HydrophobicContact CG1-CG 3.89Å; G39-K45 PolarHBondContact O-NZ 3.23Å; S40-K45 PolarHBondContact O-NZ 3.41Å; K45-S47 PolarHBondContact O-N 3.27Å; K45-V48 WeakPolarHBondContact O-CB 3.15Å; K45-V48 PolarHBondContact O-N 2.98Å; K45-L49 PolarHBondContact O-N 2.77Å; K45-L49 VanDerWaalsContact O-N 3.11Å; K45-L138 WeakPolarHBondContact CE-O 3.32Å; K45-V175 HydrophobicContact CG-CB 4.08Å; K45-V175 HydrophobicContact CG-CG1 4.4Å; K45-V175 HydrophobicContact CG-CG2 4.18Å
46S91.3Very high91.3Very high29 Ų2921.6 Ų21.620%0.20313%0.125CC..Hα-helixtrans-59-35.2-179.8-47.20000112G44 L49 E50 L58 D137G44-S46 PolarHBondContact O-N 3.45Å; S46-L49 PolarHBondContact O-N 2.91Å; S46-E50 WeakPolarHBondContact O-CG 3.31Å; S46-E50 PolarHBondContact O-N 2.87Å; S46-L58 VanDerWaalsContact CB-CD1 3.5Å; S46-D137 PolarHBondContact OG-OD2 3.03Å
47S91.7Very high91.2Very high25 Ų2521.6 Ų21.618%0.17513%0.125CC..Hα-helixtrans-68.6-35.1176.1-51.40000113.3G44 K45 L49 N51G44-S47 WeakPolarHBondContact O-CB 3.44Å; G44-S47 PolarHBondContact O-N 2.94Å; G44-S47 VanDerWaalsContact O-N 3.16Å; K45-S47 PolarHBondContact O-N 3.27Å; S47-L49 VanDerWaalsContact C-N 3.34Å; S47-N51 WeakPolarHBondContact O-CB 3.23Å; S47-N51 PolarHBondContact O-N 3.3Å
48V93.1Very high90.9Very high1 Ų121.8 Ų21.81%0.00613%0.126CC..Hα-helixtrans-64-42.5171.8174.10000110.2G44 K45 N51 F52 V204 T206 V235 L278G44-V48 WeakPolarHBondContact O-CG2 3.12Å; G44-V48 PolarHBondContact O-N 3.37Å; K45-V48 WeakPolarHBondContact O-CB 3.15Å; K45-V48 PolarHBondContact O-N 2.98Å; V48-N51 WeakPolarHBondContact O-CB 3.19Å; V48-N51 PolarHBondContact O-N 3.43Å; V48-F52 HydrophobicContact CG1-CE1 4.05Å; V48-F52 HydrophobicContact CG1-CE2 3.86Å; V48-F52 HydrophobicContact CG1-CZ 3.54Å; V48-F52 WeakPolarHBondContact O-CG 3.2Å; V48-F52 PolarHBondContact O-N 3.3Å; V48-F52 VanDerWaalsContact O-N 3.12Å; V48-V204 HydrophobicContact CG2-CG1 4.47Å; V48-T206 HydrophobicContact CG2-CG2 4.06Å; V48-V235 HydrophobicContact CG2-CG2 3.98Å; V48-L278 HydrophobicContact CG1-CD2 3.88Å
49L92.6Very high90.5Very high1 Ų122.5 Ų22.51%0.00513%0.13CC..Hα-helixtrans-66.2-44178.9-62.2177.8000112.7V37 K45 S46 S47 N51 F52 V53 L58 L72 L135 D137V37-L49 HydrophobicContact CG2-CD2 4.28Å; K45-L49 PolarHBondContact O-N 2.77Å; K45-L49 VanDerWaalsContact O-N 3.11Å; S46-L49 PolarHBondContact O-N 2.91Å; S47-L49 VanDerWaalsContact C-N 3.34Å; L49-N51 VanDerWaalsContact C-N 3.27Å; L49-N51 PolarHBondContact O-N 3.37Å; L49-F52 HydrophobicContact CD2-CD2 4.34Å; L49-F52 WeakPolarHBondContact O-CB 3.46Å; L49-F52 PolarHBondContact O-N 3.38Å; L49-F52 VanDerWaalsContact O-N 3.15Å; L49-V53 PolarHBondContact O-N 2.85Å; L49-V53 VanDerWaalsContact O-N 3.12Å; L49-L58 HydrophobicContact CB-CD1 4.06Å; L49-L58 HydrophobicContact CD1-CD1 4.26Å; L49-L72 HydrophobicContact CB-CD2 4.28Å; L49-L72 HydrophobicContact CD2-CD2 4.3Å; L49-L135 HydrophobicContact CD2-CB 4.14Å; L49-L135 HydrophobicContact CD2-CD1 3.34Å; L49-L135 HydrophobicContact CD2-CG 4.37Å; L49-D137 HydrophobicContact CD1-CB 3.43Å; L49-D137 VanDerWaalsContact CD1-CB 3.43Å; L49-D137 VanDerWaalsContact CD1-CG 3.44Å
50E91.7Very high89.9Confident2 Ų226 Ų261%0.00914%0.143CC..Hα-helixtrans-62.9-35174.3-72.5171.2136.100112.1S46 F52 V53 G54 R55 F57 L58 R60S46-E50 WeakPolarHBondContact O-CG 3.31Å; S46-E50 PolarHBondContact O-N 2.87Å; E50-F52 VanDerWaalsContact C-N 3.33Å; E50-V53 PolarHBondContact O-N 3.13Å; E50-G54 WeakPolarHBondContact O-CA 3.36Å; E50-G54 PolarHBondContact O-N 3.01Å; E50-R55 PolarHBondContact O-N 3.26Å; E50-F57 HydrophobicContact CG-CD1 4Å; E50-F57 HydrophobicContact CG-CE1 3.98Å; E50-L58 HydrophobicContact CG-CB 4.28Å; E50-L58 HydrophobicContact CG-CD1 4.14Å; E50-L58 HydrophobicContact CG-CG 4.2Å; E50-L58 PolarHBondContact OE1-N 2.84Å; E50-R60 VanDerWaalsContact CD-NH2 3.25Å; E50-R60 IonicContact OE1-CZ 2.94Å; E50-R60 IonicContact OE1-NE 2.8Å; E50-R60 IonicContact OE1-NH2 3.85Å; E50-R60 PolarHBondContact OE1-NH2 3.46Å; E50-R60 IonicContact OE2-CZ 3.37Å; E50-R60 VanDerWaalsContact OE2-CZ 3.23Å; E50-R60 IonicContact OE2-NH1 2.57Å; E50-R60 IonicContact OE2-NH2 2.82Å; E50-R60 PolarHBondContact OE2-NH2 3.03Å
51N90.6Very high89.2Confident9 Ų927.2 Ų27.25%0.04816%0.161CC..Hα-helixtrans-65.3-35174-87.45.9000112.4S47 V48 L49 N237 I249 T275S47-N51 WeakPolarHBondContact O-CB 3.23Å; S47-N51 PolarHBondContact O-N 3.3Å; V48-N51 WeakPolarHBondContact O-CB 3.19Å; V48-N51 PolarHBondContact O-N 3.43Å; L49-N51 VanDerWaalsContact C-N 3.27Å; L49-N51 PolarHBondContact O-N 3.37Å; N51-N237 PolarHBondContact ND2-OD1 3.38Å; N51-I249 WeakPolarHBondContact OD1-CD1 3.36Å; N51-T275 HydrophobicContact CB-CG2 3.8Å
52F91.4Very high88.6Confident4 Ų429.3 Ų29.32%0.01818%0.183CC..Hα-helixtrans-68.6-39.9173.8-63.9-22.6000113V48 L49 E50 L74 V130 L133 L135 T275 L278 Q279 L282V48-F52 HydrophobicContact CG1-CE1 4.05Å; V48-F52 HydrophobicContact CG1-CE2 3.86Å; V48-F52 HydrophobicContact CG1-CZ 3.54Å; V48-F52 WeakPolarHBondContact O-CG 3.2Å; V48-F52 PolarHBondContact O-N 3.3Å; V48-F52 VanDerWaalsContact O-N 3.12Å; L49-F52 HydrophobicContact CD2-CD2 4.34Å; L49-F52 WeakPolarHBondContact O-CB 3.46Å; L49-F52 PolarHBondContact O-N 3.38Å; L49-F52 VanDerWaalsContact O-N 3.15Å; E50-F52 VanDerWaalsContact C-N 3.33Å; F52-L74 HydrophobicContact CB-CD1 3.94Å; F52-V130 WeakPolarHBondContact O-CG1 3.11Å; F52-L133 HydrophobicContact CD2-CD2 4.42Å; F52-L133 HydrophobicContact CE2-CD2 4.49Å; F52-L135 HydrophobicContact CD2-CD1 3.53Å; F52-L135 HydrophobicContact CE2-CD1 3.57Å; F52-T275 HydrophobicContact CD1-CG2 3.65Å; F52-T275 HydrophobicContact CE1-CG2 3.86Å; F52-L278 HydrophobicContact CE1-CB 4.3Å; F52-L278 HydrophobicContact CE1-CD2 3.93Å; F52-L278 HydrophobicContact CE1-CG 4.03Å; F52-L278 HydrophobicContact CZ-CB 4.46Å; F52-L278 HydrophobicContact CZ-CD2 3.56Å; F52-L278 HydrophobicContact CZ-CG 3.7Å; F52-Q279 HydrophobicContact CD1-CB 4.01Å; F52-Q279 HydrophobicContact CD1-CG 4.22Å; F52-Q279 HydrophobicContact CE1-CB 4.04Å; F52-L282 HydrophobicContact CE2-CD1 3.75Å; F52-L282 HydrophobicContact CZ-CD1 3.68Å
53V90.4Very high88Confident1 Ų125.7 Ų25.71%0.00616%0.16CC..Hα-helixtrans-73.7-33.4177.6174.80000111.5L49 E50 R55 F57 L72 L74 F95 V125L49-V53 PolarHBondContact O-N 2.85Å; L49-V53 VanDerWaalsContact O-N 3.12Å; E50-V53 PolarHBondContact O-N 3.13Å; V53-R55 HydrophobicContact CG1-CB 4.02Å; V53-R55 HydrophobicContact CG1-CG 4.31Å; V53-F57 HydrophobicContact CB-CD1 4.23Å; V53-F57 HydrophobicContact CB-CE1 3.94Å; V53-F57 HydrophobicContact CG1-CD1 4.2Å; V53-F57 HydrophobicContact CG1-CE1 4.34Å; V53-F57 HydrophobicContact CG2-CD1 4.23Å; V53-F57 HydrophobicContact CG2-CE1 3.55Å; V53-F57 HydrophobicContact CG2-CZ 4.11Å; V53-L72 HydrophobicContact CG2-CD2 4.25Å; V53-L74 HydrophobicContact CG2-CD2 3.57Å; V53-F95 HydrophobicContact CG1-CD1 4.43Å; V53-F95 HydrophobicContact CG1-CE1 3.72Å; V53-F95 HydrophobicContact CG1-CZ 4.19Å; V53-V125 HydrophobicContact CG1-CG1 4.03Å
54G87.5Confident87.3Confident18 Ų1826.3 Ų26.319%0.18616%0.163CC..THydrogen-bonded Turntrans79.614.4-17400000114.8E50E50-G54 WeakPolarHBondContact O-CA 3.36Å; E50-G54 PolarHBondContact O-N 3.01Å
55R87.6Confident87Confident120 Ų12027.9 Ų27.945%0.45317%0.17SC..SBendtrans-138.5152.1-179.1-58.6-67.8-170.11765.1110.6E50 V53 F57 E80 F95E50-R55 PolarHBondContact O-N 3.26Å; V53-R55 HydrophobicContact CG1-CB 4.02Å; V53-R55 HydrophobicContact CG1-CG 4.31Å; R55-F57 PolarHBondContact O-N 3.26Å; R55-E80 IonicContact CZ-OE2 3.41Å; R55-E80 IonicContact NE-OE2 3.19Å; R55-E80 PolarHBondContact NE-OE2 2.83Å; R55-E80 IonicContact NH2-OE2 2.75Å; R55-E80 PolarHBondContact NH2-OE2 3.28Å; R55-F95 HydrophobicContact CB-CB 4.13Å; R55-F95 HydrophobicContact CB-CD1 3.9Å; R55-F95 HydrophobicContact CB-CD2 3.98Å; R55-F95 HydrophobicContact CB-CE1 4.23Å; R55-F95 HydrophobicContact CB-CE2 4.34Å; R55-F95 HydrophobicContact CB-CG 3.72Å; R55-F95 HydrophobicContact CB-CZ 4.44Å; R55-F95 HydrophobicContact CG-CD1 4.36Å; R55-F95 HydrophobicContact CG-CD2 3.74Å; R55-F95 HydrophobicContact CG-CE1 4.36Å; R55-F95 HydrophobicContact CG-CE2 3.77Å; R55-F95 HydrophobicContact CG-CG 4.03Å; R55-F95 HydrophobicContact CG-CZ 4.07Å
56D87.8Confident86.8Confident32 Ų3228.4 Ų28.417%0.17117%0.174CC..  trans-87.299.8174.5-66.8-62.4000110.3R60 R99 R238D56-R60 IonicContact OD1-CZ 2.79Å; D56-R60 IonicContact OD1-NH2 3.86Å; D56-R60 PolarHBondContact OD1-NH2 3.16Å; D56-R99 VanDerWaalsContact CB-NH2 3.3Å; D56-R99 PolarHBondContact O-NH2 2.82Å; D56-R238 VanDerWaalsContact CG-NH2 3.32Å; D56-R238 IonicContact OD1-CZ 3.04Å; D56-R238 IonicContact OD1-NH1 3.4Å; D56-R238 PolarHBondContact OD1-NH1 3.4Å; D56-R238 IonicContact OD1-NH2 3.04Å; D56-R238 PolarHBondContact OD1-NH2 2.93Å; D56-R238 IonicContact OD2-CZ 3.47Å; D56-R238 IonicContact OD2-NH1 3.15Å; D56-R238 PolarHBondContact OD2-NH1 3.27Å; D56-R238 IonicContact OD2-NH2 3.07Å; D56-R238 PolarHBondContact OD2-NH2 3.38Å
57F91.7Very high86.7Confident0 Ų028.4 Ų28.40%017%0.169CC..  trans-127.3-11.4-174.277.6-85000113.4E50 V53 R55 L70 L72 F95 V98 R99 I102 L123E50-F57 HydrophobicContact CG-CD1 4Å; E50-F57 HydrophobicContact CG-CE1 3.98Å; V53-F57 HydrophobicContact CB-CD1 4.23Å; V53-F57 HydrophobicContact CB-CE1 3.94Å; V53-F57 HydrophobicContact CG1-CD1 4.2Å; V53-F57 HydrophobicContact CG1-CE1 4.34Å; V53-F57 HydrophobicContact CG2-CD1 4.23Å; V53-F57 HydrophobicContact CG2-CE1 3.55Å; V53-F57 HydrophobicContact CG2-CZ 4.11Å; R55-F57 PolarHBondContact O-N 3.26Å; F57-L70 HydrophobicContact CE2-CD2 4.2Å; F57-L72 HydrophobicContact CE2-CD1 4.19Å; F57-L72 HydrophobicContact CZ-CD1 4.01Å; F57-L72 HydrophobicContact CZ-CD2 3.91Å; F57-F95 HydrophobicContact CB-CB 4.08Å; F57-F95 HydrophobicContact CB-CD1 3.65Å; F57-F95 HydrophobicContact CB-CG 4.35Å; F57-F95 HydrophobicContact CG-CD1 4.31Å; F57-V98 HydrophobicContact CB-CB 4.46Å; F57-V98 HydrophobicContact CB-CG1 4.19Å; F57-V98 HydrophobicContact CD2-CG1 4.07Å; F57-R99 WeakPolarHBondContact O-CA 3.47Å; F57-R99 VanDerWaalsContact O-CB 3.25Å; F57-R99 WeakPolarHBondContact O-CB 3.47Å; F57-I102 HydrophobicContact CD2-CD1 4Å; F57-I102 HydrophobicContact CE2-CD1 4.35Å; F57-L123 HydrophobicContact CD2-CD2 3.81Å; F57-L123 HydrophobicContact CE2-CD2 3.58Å
58L91.1Very high86.7Confident5 Ų527.8 Ų27.83%0.02616%0.163CC..SBendtrans-90.5143.2179-66.8175.6000109.8S46 L49 E50 L70 R99 I102S46-L58 VanDerWaalsContact CB-CD1 3.5Å; L49-L58 HydrophobicContact CB-CD1 4.06Å; L49-L58 HydrophobicContact CD1-CD1 4.26Å; E50-L58 HydrophobicContact CG-CB 4.28Å; E50-L58 HydrophobicContact CG-CD1 4.14Å; E50-L58 HydrophobicContact CG-CG 4.2Å; E50-L58 PolarHBondContact OE1-N 2.84Å; L58-L70 HydrophobicContact CD2-CD2 3.39Å; L58-R99 PolarHBondContact O-NE 3.21Å; L58-I102 HydrophobicContact CD2-CD1 4.04Å
59P87.3Confident86.7Confident16 Ų1627.7 Ų27.710%0.10416%0.163CC..  trans-58.5153.217523.7-33.2000111.2V65 R99 I102 E103P59-V65 VanDerWaalsContact C-CG1 3.42Å; P59-V65 HydrophobicContact CB-CG1 3.47Å; P59-V65 VanDerWaalsContact CB-CG1 3.47Å; P59-V65 HydrophobicContact CG-CG1 3.52Å; P59-V65 VanDerWaalsContact O-CG1 3.25Å; P59-V65 WeakPolarHBondContact O-CG1 3.18Å; P59-R99 HydrophobicContact CB-CG 4.42Å; P59-I102 HydrophobicContact CG-CG2 4.2Å; P59-E103 HydrophobicContact CB-CG 3.63Å; P59-E103 WeakPolarHBondContact CB-OE1 3.1Å; P59-E103 HydrophobicContact CG-CG 4.22Å
60R82Confident86.8Confident73 Ų7328 Ų2828%0.27516%0.164SC..  trans-135.8134.2178.5-63.6-178.2-174.5-93.79109.5E50 D56 I243E50-R60 VanDerWaalsContact CD-NH2 3.25Å; E50-R60 IonicContact OE1-CZ 2.94Å; E50-R60 IonicContact OE1-NE 2.8Å; E50-R60 IonicContact OE1-NH2 3.85Å; E50-R60 PolarHBondContact OE1-NH2 3.46Å; E50-R60 IonicContact OE2-CZ 3.37Å; E50-R60 VanDerWaalsContact OE2-CZ 3.23Å; E50-R60 IonicContact OE2-NH1 2.57Å; E50-R60 IonicContact OE2-NH2 2.82Å; E50-R60 PolarHBondContact OE2-NH2 3.03Å; D56-R60 IonicContact OD1-CZ 2.79Å; D56-R60 IonicContact OD1-NH2 3.86Å; D56-R60 PolarHBondContact OD1-NH2 3.16Å; R60-I243 VanDerWaalsContact NH2-CD1 3.33Å
61G78Confident86.8Confident58 Ų5828 Ų2860%0.59816%0.164SC*.  trans-178.9179.2-178.900000112.8V65G61-V65 WeakPolarHBondContact O-CG2 3.45Å
62S73.7Confident86.9Confident110 Ų11027.5 Ų27.577%0.76916%0.162SC*.SBendtrans-86.8134.9173.657.50000111.2K114S62-K114 PolarHBondContact O-NZ 2.83Å
63G74.6Confident87Confident12 Ų1227.4 Ų27.412%0.12416%0.162CC..SBendtrans94.9-163.7-173.900000113.4Q41 V65Q41-G63 PolarHBondContact NE2-O 3.49Å; G63-V65 PolarHBondContact O-N 3.3Å; G63-V65 VanDerWaalsContact O-N 3.16Å
64I76Confident87Confident13 Ų1327.4 Ų27.47%0.06716%0.161CC..  trans-74.7104.8178.4-57.6-176.5000108.5T66 R67 T142 I153 I157I64-T66 WeakPolarHBondContact CG2-O 3.28Å; I64-R67 HydrophobicContact CG2-CG 4.03Å; I64-T142 HydrophobicContact CD1-CG2 3.68Å; I64-T142 HydrophobicContact CG1-CG2 3.49Å; I64-T142 VanDerWaalsContact CG1-CG2 3.49Å; I64-I153 HydrophobicContact CD1-CG1 4.1Å; I64-I157 HydrophobicContact CD1-CD1 3.39Å; I64-I157 HydrophobicContact CD1-CG1 4.44Å
65V83.3Confident87.2Confident46 Ų4628.3 Ų28.328%0.27916%0.162SC..  trans-80.8-50.1176.6-169.50000110.2P59 G61 G63 R67P59-V65 VanDerWaalsContact C-CG1 3.42Å; P59-V65 HydrophobicContact CB-CG1 3.47Å; P59-V65 VanDerWaalsContact CB-CG1 3.47Å; P59-V65 HydrophobicContact CG-CG1 3.52Å; P59-V65 VanDerWaalsContact O-CG1 3.25Å; P59-V65 WeakPolarHBondContact O-CG1 3.18Å; G61-V65 WeakPolarHBondContact O-CG2 3.45Å; G63-V65 PolarHBondContact O-N 3.3Å; G63-V65 VanDerWaalsContact O-N 3.16Å; V65-R67 PolarHBondContact O-N 2.81Å; V65-R67 VanDerWaalsContact O-N 3.16Å
66T89.3Confident87.3Confident21 Ų2126.8 Ų26.813%0.12916%0.162CC..  trans-78.296.6174.3-48.90000109.4I64 R68 D137 P139I64-T66 WeakPolarHBondContact CG2-O 3.28Å; T66-R68 WeakPolarHBondContact CG2-O 3.41Å; T66-D137 PolarHBondContact OG1-OD2 3.12Å; T66-P139 WeakPolarHBondContact O-CA 3.29Å; T66-P139 WeakPolarHBondContact O-CB 3.42Å; T66-P139 WeakPolarHBondContact O-CG 3.19Å
67R89.8Confident87.3Confident29 Ų2926.8 Ų26.811%0.10917%0.165CC..  trans-97.5-11.6-179.5-67.5-177.6-70160.1-2114.3I64 V65 T106 D107 T110 G111 N113 G115 I116 S117I64-R67 HydrophobicContact CG2-CG 4.03Å; V65-R67 PolarHBondContact O-N 2.81Å; V65-R67 VanDerWaalsContact O-N 3.16Å; R67-T106 HydrophobicContact CB-CG2 3.82Å; R67-D107 IonicContact CZ-OD1 3.87Å; R67-D107 IonicContact NH1-OD1 3.88Å; R67-D107 PolarHBondContact NH1-OD1 2.86Å; R67-D107 IonicContact NH2-OD1 2.75Å; R67-D107 PolarHBondContact NH2-OD1 2.76Å; R67-T110 PolarHBondContact NH1-OG1 3.23Å; R67-G111 PolarHBondContact NH1-O 2.8Å; R67-G111 VanDerWaalsContact NH1-O 3.16Å; R67-N113 PolarHBondContact NH1-O 3.11Å; R67-G115 VanDerWaalsContact CD-O 3.27Å; R67-G115 WeakPolarHBondContact CD-O 3.45Å; R67-I116 HydrophobicContact CB-CG2 4.4Å; R67-I116 VanDerWaalsContact O-CA 3.25Å; R67-I116 WeakPolarHBondContact O-CA 3.4Å; R67-I116 WeakPolarHBondContact O-CB 3.42Å; R67-S117 PolarHBondContact O-N 2.69Å; R67-S117 VanDerWaalsContact O-N 3.1Å
68R91.8Very high87.3Confident12 Ų1238 Ų385%0.04521%0.207CC..SBendtrans-131.5148.4176.3-69.817266.3-177.8-5108.7T66 L70 E105 T106 T110 T119 P120 I121T66-R68 WeakPolarHBondContact CG2-O 3.41Å; R68-L70 PolarHBondContact O-N 3.41Å; R68-E105 PolarHBondContact NH1-O 3.07Å; R68-E105 IonicContact NH1-OE1 3.79Å; R68-E105 PolarHBondContact NH1-OE1 3.45Å; R68-E105 VanDerWaalsContact NH1-OE1 3.09Å; R68-E105 IonicContact NH2-OE1 3.91Å; R68-T106 HydrophobicContact CG-CG2 4.26Å; R68-T110 HydrophobicContact CG-CG2 4.39Å; R68-T119 PolarHBondContact NE-O 2.92Å; R68-T119 PolarHBondContact NH2-O 3.02Å; R68-T119 VanDerWaalsContact NH2-O 3.15Å; R68-P120 PolarHBondContact NH2-O 3.23Å; R68-P120 VanDerWaalsContact NH2-O 3.16Å; R68-I121 HydrophobicContact CB-CD1 4.39Å; R68-I121 HydrophobicContact CB-CG1 4.42Å
69P93.4Very high87.3Confident0 Ų043.1 Ų43.10%024%0.235CC..  trans-56131.4168.5-24.834.7000111S117 P120 I121 I136 D137 L138 M160 F164P69-S117 WeakPolarHBondContact CD-O 3.21Å; P69-P120 HydrophobicContact CB-CB 4.19Å; P69-P120 CarbonylContact O-C 3.56Å; P69-P120 WeakPolarHBondContact O-CA 3.17Å; P69-I121 PolarHBondContact O-N 3.44Å; P69-I136 HydrophobicContact CB-CG2 4.22Å; P69-D137 CarbonylContact C-O 3.33Å; P69-D137 WeakPolarHBondContact CA-O 3.42Å; P69-L138 HydrophobicContact CB-CD2 3.94Å; P69-L138 HydrophobicContact CG-CD2 4.12Å; P69-M160 HydrophobicContact CG-CG 4.38Å; P69-M160 HydrophobicContact CG-SD 3.83Å; P69-F164 HydrophobicContact CB-CE2 4.22Å; P69-F164 HydrophobicContact CB-CZ 3.88Å; P69-F164 HydrophobicContact CG-CE2 3.7Å; P69-F164 HydrophobicContact CG-CZ 3.73Å
70L93.6Very high87.5Confident6 Ų644.8 Ų44.83%0.03124%0.241CC..EExtended strand (participates in β ladder)trans-109.3109.6175178.571.2000109.4F57 L58 R68 L72 I102 I121 L123 I136 D137F57-L70 HydrophobicContact CE2-CD2 4.2Å; L58-L70 HydrophobicContact CD2-CD2 3.39Å; R68-L70 PolarHBondContact O-N 3.41Å; L70-L72 PolarHBondContact O-N 3.35Å; L70-I102 HydrophobicContact CD2-CD1 4.44Å; L70-I121 HydrophobicContact CD1-CB 3.88Å; L70-I121 HydrophobicContact CD1-CG2 3.82Å; L70-L123 HydrophobicContact CD1-CB 3.99Å; L70-L123 HydrophobicContact CD1-CD2 4.47Å; L70-I136 CarbonylContact O-C 3.54Å; L70-I136 WeakPolarHBondContact O-CA 3.23Å; L70-D137 HydrophobicContact CB-CB 4.13Å; L70-D137 PolarHBondContact N-O 3.23Å; L70-D137 PolarHBondContact O-N 3.27Å
71V92.7Very high88.1Confident2 Ų243.1 Ų43.11%0.01224%0.235CC..EExtended strand (participates in β ladder)trans-81.4105170.8-179.20000107.9Q18 Q73 P120 I121 N122 L123 T134 I136Q18-V71 VanDerWaalsContact NE2-CG1 3.32Å; V71-Q73 HydrophobicContact CG1-CG 4.38Å; V71-P120 HydrophobicContact CG2-CB 3.96Å; V71-I121 PolarHBondContact N-O 3.16Å; V71-N122 WeakPolarHBondContact CB-OD1 3.22Å; V71-L123 PolarHBondContact O-N 2.71Å; V71-T134 HydrophobicContact CG1-CG2 4.19Å; V71-I136 HydrophobicContact CG2-CD1 4.45Å; V71-I136 HydrophobicContact CG2-CG1 4.24Å
72L93.1Very high88.8Confident0 Ų040.4 Ų40.40%021%0.207CC..EExtended strand (participates in β ladder)trans-100.1110.3179.6-179.565.3000110.1L49 V53 F57 L70 L74 L123 V125 T134 L135L49-L72 HydrophobicContact CB-CD2 4.28Å; L49-L72 HydrophobicContact CD2-CD2 4.3Å; V53-L72 HydrophobicContact CG2-CD2 4.25Å; F57-L72 HydrophobicContact CE2-CD1 4.19Å; F57-L72 HydrophobicContact CZ-CD1 4.01Å; F57-L72 HydrophobicContact CZ-CD2 3.91Å; L70-L72 PolarHBondContact O-N 3.35Å; L72-L74 HydrophobicContact CD1-CD2 3.9Å; L72-L74 HydrophobicContact CD2-CD2 4Å; L72-L74 HydrophobicContact CD2-CG 4.49Å; L72-L74 HydrophobicContact CG-CD2 3.76Å; L72-L74 HydrophobicContact CG-CG 4.28Å; L72-L123 HydrophobicContact CD1-CD2 3.92Å; L72-L123 HydrophobicContact CD1-CG 4.12Å; L72-V125 HydrophobicContact CD1-CG2 3.84Å; L72-T134 WeakPolarHBondContact O-CA 3.21Å; L72-L135 PolarHBondContact N-O 2.85Å; L72-L135 PolarHBondContact O-N 3.25Å
73Q91.6Very high89.8Confident2 Ų237 Ų371%0.00918%0.178CC..EExtended strand (participates in β ladder)trans-101.7107.5175.1-67.6177.8-4.200109.5V71 L123 R124 V125 T134V71-Q73 HydrophobicContact CG1-CG 4.38Å; Q73-L123 PolarHBondContact N-O 2.68Å; Q73-R124 HydrophobicContact CB-CG 4.05Å; Q73-R124 CarbonylContact O-C 3.55Å; Q73-R124 WeakPolarHBondContact O-CA 2.82Å; Q73-R124 VanDerWaalsContact OE1-CG 3.3Å; Q73-V125 PolarHBondContact O-N 2.75Å; Q73-T134 HydrophobicContact CG-CG2 3.82Å
74L91.8Very high90.6Very high0 Ų036.4 Ų36.40%017%0.173CC..EExtended strand (participates in β ladder)trans-88.9128.5173.2-53.6-175000109F52 V53 L72 V125 V130 L131 N132 L133F52-L74 HydrophobicContact CB-CD1 3.94Å; V53-L74 HydrophobicContact CG2-CD2 3.57Å; L72-L74 HydrophobicContact CD1-CD2 3.9Å; L72-L74 HydrophobicContact CD2-CD2 4Å; L72-L74 HydrophobicContact CD2-CG 4.49Å; L72-L74 HydrophobicContact CG-CD2 3.76Å; L72-L74 HydrophobicContact CG-CG 4.28Å; L74-V125 HydrophobicContact CD2-CB 3.92Å; L74-V125 HydrophobicContact CD2-CG2 4.36Å; L74-V130 HydrophobicContact CB-CB 4.18Å; L74-V130 HydrophobicContact CB-CG2 4.04Å; L74-V130 HydrophobicContact CD1-CB 4.48Å; L74-L131 WeakPolarHBondContact CB-O 3.29Å; L74-N132 CarbonylContact O-C 3.56Å; L74-N132 VanDerWaalsContact O-CA 3.25Å; L74-N132 WeakPolarHBondContact O-CA 3.46Å; L74-L133 HydrophobicContact CB-CB 4.36Å; L74-L133 WeakPolarHBondContact CB-O 3.26Å; L74-L133 HydrophobicContact CD1-CB 4.45Å; L74-L133 PolarHBondContact N-O 3.09Å; L74-L133 PolarHBondContact O-N 3.47Å
75I90.4Very high91.1Very high38 Ų3838.7 Ų38.720%0.19519%0.185CC..EExtended strand (participates in β ladder)trans-129.9122.6-177.8-57.8171.4000108.5S77 V125 Y126 S127 V130 N132I75-S77 PolarHBondContact O-N 3.26Å; I75-V125 PolarHBondContact N-O 2.64Å; I75-Y126 HydrophobicContact CB-CD1 3.89Å; I75-Y126 HydrophobicContact CB-CE1 4.08Å; I75-Y126 HydrophobicContact CD1-CD1 4.24Å; I75-Y126 HydrophobicContact CD1-CE1 3.59Å; I75-Y126 HydrophobicContact CG1-CE1 4.42Å; I75-Y126 HydrophobicContact CG2-CD1 3.88Å; I75-Y126 HydrophobicContact CG2-CE1 3.96Å; I75-Y126 WeakPolarHBondContact O-CA 3.2Å; I75-S127 PolarHBondContact O-N 3.39Å; I75-V130 WeakPolarHBondContact O-CG2 3.3Å; I75-N132 WeakPolarHBondContact CA-OD1 3.17Å
76N89.6Confident91.2Very high87 Ų8739.7 Ų39.747%0.46519%0.186SC..EExtended strand (participates in β ladder)trans-67.3117.3174-168.2-64.1000109.2S127 V130 N132N76-S127 WeakPolarHBondContact CA-O 3.34Å; N76-V130 WeakPolarHBondContact CB-O 3.22Å; N76-V130 PolarHBondContact ND2-O 2.95Å; N76-N132 PolarHBondContact N-OD1 2.74Å
77S89.5Confident91Very high32 Ų3239.8 Ų39.822%0.22419%0.187CC..  trans-146.7154.1-177.5-178.70000110.4I75 N79 S127 P128I75-S77 PolarHBondContact O-N 3.26Å; S77-N79 PolarHBondContact O-N 3.17Å; S77-S127 PolarHBondContact N-O 3.3Å; S77-S127 VanDerWaalsContact N-O 3.08Å; S77-S127 CarbonylContact O-C 3.08Å; S77-P128 WeakPolarHBondContact O-CA 3.45Å; S77-P128 WeakPolarHBondContact O-CB 3.21Å; S77-P128 VanDerWaalsContact O-CD 3.26Å; S77-P128 WeakPolarHBondContact O-CD 3.49Å
78R90Very high90.5Very high236 Ų23646.5 Ų46.589%0.89122%0.217SC*.SBendtrans-66.6-29177.6-64.7-176.6-179.2-177.40.4112.8
79N91.4Very high90Very high112 Ų11253.3 Ų53.360%0.59926%0.255SS*.SBendtrans-105.4137.3-176.7-62.2-20000110S77 Y81 Y126S77-N79 PolarHBondContact O-N 3.17Å; N79-Y81 HydrophobicContact CB-CD1 4.14Å; N79-Y81 HydrophobicContact CB-CE1 4.25Å; N79-Y126 CarbonylContact O-C 3.48Å
80E92.1Very high89.9Confident51 Ų5158 Ų5824%0.23828%0.275CS..  trans-95.3112.9178.4-174.5165.2-103.300111R55 F95 Y126 S127R55-E80 IonicContact CZ-OE2 3.41Å; R55-E80 IonicContact NE-OE2 3.19Å; R55-E80 PolarHBondContact NE-OE2 2.83Å; R55-E80 IonicContact NH2-OE2 2.75Å; R55-E80 PolarHBondContact NH2-OE2 3.28Å; E80-F95 HydrophobicContact CG-CE2 3.93Å; E80-F95 HydrophobicContact CG-CZ 4.23Å; E80-Y126 CarbonylContact C-O 3.57Å; E80-Y126 WeakPolarHBondContact CA-O 3.41Å; E80-S127 PolarHBondContact OE1-OG 2.75Å
81Y94.2Very high89.8Confident39 Ų3963.6 Ų63.615%0.15330%0.301CS..EExtended strand (participates in β ladder)trans-162.8164.5175.867.1-81.8000110.7N79 Q91 F92 Y126N79-Y81 HydrophobicContact CB-CD1 4.14Å; N79-Y81 HydrophobicContact CB-CE1 4.25Å; Y81-Q91 HydrophobicContact CD2-CB 4.05Å; Y81-Q91 HydrophobicContact CD2-CG 3.74Å; Y81-Q91 HydrophobicContact CE2-CG 3.95Å; Y81-F92 CarbonylContact C-O 3.47Å; Y81-F92 WeakPolarHBondContact CA-O 3.49Å; Y81-Y126 HydrophobicContact CD1-CD2 4.34Å; Y81-Y126 HydrophobicContact CD1-CG 4.27Å; Y81-Y126 AromaticContact CD2-CD2 3.74Å; Y81-Y126 HydrophobicContact CD2-CD2 3.74Å; Y81-Y126 HydrophobicContact CD2-CE2 4.35Å; Y81-Y126 HydrophobicContact CD2-CG 4.46Å; Y81-Y126 HydrophobicContact CE1-CD1 4.35Å; Y81-Y126 AromaticContact CE1-CD2 3.87Å; Y81-Y126 HydrophobicContact CE1-CD2 3.87Å; Y81-Y126 AromaticContact CE1-CG 3.66Å; Y81-Y126 HydrophobicContact CE1-CG 3.66Å; Y81-Y126 AromaticContact CE2-CD2 3.2Å; Y81-Y126 HydrophobicContact CE2-CD2 3.2Å; Y81-Y126 AromaticContact CE2-CE2 3.52Å; Y81-Y126 HydrophobicContact CE2-CE2 3.52Å; Y81-Y126 AromaticContact CE2-CG 3.89Å; Y81-Y126 HydrophobicContact CE2-CG 3.89Å; Y81-Y126 HydrophobicContact CG-CD2 4.28Å; Y81-Y126 AromaticContact CZ-CD2 3.27Å; Y81-Y126 AromaticContact CZ-CE2 3.73Å; Y81-Y126 AromaticContact CZ-CG 3.45Å; Y81-Y126 VanDerWaalsContact CZ-CG 3.45Å; Y81-Y126 PolarHBondContact N-O 2.85Å; Y81-Y126 PolarHBondContact O-N 2.67Å
82A94.1Very high89.9Confident0 Ų064 Ų640%030%0.303CS..EExtended strand (participates in β ladder)trans-121.5152.917500000112.2F92 V98 L123 R124 V125A82-F92 HydrophobicContact CB-CB 4.33Å; A82-F92 PolarHBondContact N-O 3.23Å; A82-F92 PolarHBondContact O-N 3.41Å; A82-V98 HydrophobicContact CB-CG2 3.67Å; A82-L123 HydrophobicContact CB-CD1 3.95Å; A82-R124 CarbonylContact C-O 3.48Å; A82-R124 WeakPolarHBondContact CA-O 3.41Å; A82-R124 WeakPolarHBondContact CB-O 3.34Å; A82-V125 HydrophobicContact CB-CG2 4.32Å
83E93.2Very high89.9Confident38 Ų3869.1 Ų69.118%0.17833%0.334CS..EExtended strand (participates in β ladder)trans-139136.1176.8-176.3177.6-164.400109.8N89 R124E83-N89 PolarHBondContact OE1-N 2.95Å; E83-R124 PolarHBondContact N-O 2.81Å; E83-R124 PolarHBondContact O-N 3.41Å
84F92Very high89.9Confident0 Ų072.8 Ų72.80%035%0.354CS..EExtended strand (participates in β ladder)trans-100.5139.5171.3-67.8-88000110.7H86 C87 F92 V98 E101 I102 I121 N122 L123F84-H86 WeakPolarHBondContact CB-CE1 3.42Å; F84-H86 WeakPolarHBondContact CB-ND1 3.33Å; F84-H86 AromaticContact CD1-CE1 3.45Å; F84-H86 VanDerWaalsContact CD1-CE1 3.45Å; F84-H86 WeakPolarHBondContact CD1-CE1 3.37Å; F84-H86 AromaticContact CD1-ND1 3.97Å; F84-H86 AromaticContact CG-CE1 3.49Å; F84-H86 VanDerWaalsContact CG-CE1 3.49Å; F84-H86 WeakPolarHBondContact CG-CE1 3.16Å; F84-H86 PolarHBondContact O-N 2.87Å; F84-C87 HydrophobicContact CB-CB 4.16Å; F84-C87 CarbonylContact O-C 3.56Å; F84-C87 PolarHBondContact O-N 2.85Å; F84-F92 AromaticContact CD2-CD2 3.95Å; F84-F92 HydrophobicContact CD2-CD2 3.95Å; F84-F92 AromaticContact CD2-CE2 3.55Å; F84-F92 HydrophobicContact CD2-CE2 3.55Å; F84-F92 AromaticContact CD2-CZ 3.89Å; F84-F92 HydrophobicContact CD2-CZ 3.89Å; F84-F92 HydrophobicContact CE2-CD2 4.22Å; F84-F92 HydrophobicContact CE2-CE1 4.4Å; F84-F92 HydrophobicContact CE2-CE2 4.05Å; F84-F92 HydrophobicContact CE2-CG 4.49Å; F84-F92 HydrophobicContact CE2-CZ 4.11Å; F84-V98 HydrophobicContact CE2-CG1 4.09Å; F84-V98 HydrophobicContact CZ-CB 4.49Å; F84-V98 HydrophobicContact CZ-CG1 3.72Å; F84-E101 HydrophobicContact CD2-CB 4.4Å; F84-E101 HydrophobicContact CD2-CG 3.77Å; F84-E101 HydrophobicContact CE1-CG 4.5Å; F84-E101 HydrophobicContact CE2-CB 3.69Å; F84-E101 HydrophobicContact CE2-CG 3.55Å; F84-E101 HydrophobicContact CG-CG 4.34Å; F84-E101 HydrophobicContact CZ-CB 3.94Å; F84-E101 HydrophobicContact CZ-CG 3.94Å; F84-I102 HydrophobicContact CE1-CG1 3.73Å; F84-I102 HydrophobicContact CZ-CD1 4.46Å; F84-I102 HydrophobicContact CZ-CG1 3.74Å; F84-I121 HydrophobicContact CD1-CG2 3.89Å; F84-I121 HydrophobicContact CE1-CG2 3.96Å; F84-N122 WeakPolarHBondContact CA-O 3.2Å; F84-L123 HydrophobicContact CD1-CB 4.26Å; F84-L123 HydrophobicContact CD1-CD1 4.03Å; F84-L123 HydrophobicContact CD2-CD1 4.36Å; F84-L123 HydrophobicContact CE1-CB 4.14Å; F84-L123 HydrophobicContact CE1-CD1 3.77Å; F84-L123 HydrophobicContact CE1-CD2 4.43Å; F84-L123 HydrophobicContact CE1-CG 4.33Å; F84-L123 HydrophobicContact CE2-CD1 4.11Å; F84-L123 HydrophobicContact CG-CD1 4.33Å; F84-L123 HydrophobicContact CZ-CD1 3.81Å
85L86.1Confident89.9Confident61 Ų6173.3 Ų73.332%0.31936%0.356SS..THydrogen-bonded Turntrans-60.3-32.2177.3-171.565.7000112.5N122L85-N122 HydrophobicContact CB-CB 3.72Å; L85-N122 HydrophobicContact CD2-CB 4.08Å; L85-N122 PolarHBondContact N-O 2.91Å; L85-N122 VanDerWaalsContact N-O 3.13Å
86H86.1Confident89.9Confident67 Ų6774.6 Ų74.631%0.3136%0.364SS..THydrogen-bonded Turntrans-78.9-16.3177.568.3-86.3000113.7F84 E101 E105F84-H86 WeakPolarHBondContact CB-CE1 3.42Å; F84-H86 WeakPolarHBondContact CB-ND1 3.33Å; F84-H86 AromaticContact CD1-CE1 3.45Å; F84-H86 VanDerWaalsContact CD1-CE1 3.45Å; F84-H86 WeakPolarHBondContact CD1-CE1 3.37Å; F84-H86 AromaticContact CD1-ND1 3.97Å; F84-H86 AromaticContact CG-CE1 3.49Å; F84-H86 VanDerWaalsContact CG-CE1 3.49Å; F84-H86 WeakPolarHBondContact CG-CE1 3.16Å; F84-H86 PolarHBondContact O-N 2.87Å; H86-E101 IonicContact CD2-OE1 3.42Å; H86-E101 IonicContact CE1-OE1 2.82Å; H86-E101 IonicContact NE2-OE1 3.45Å; H86-E101 PolarHBondContact NE2-OE1 2.9Å; H86-E105 IonicContact CD2-OE2 2.72Å; H86-E105 PolarHBondContact CD2-OE2 3.19Å; H86-E105 IonicContact NE2-OE2 2.77Å
87C85.6Confident90.1Very high23 Ų2374.2 Ų74.216%0.15536%0.359CS..SBendtrans-111.563.9176.1-69.30000110.7F84 N89 K90 F92F84-C87 HydrophobicContact CB-CB 4.16Å; F84-C87 CarbonylContact O-C 3.56Å; F84-C87 PolarHBondContact O-N 2.85Å; C87-N89 PolarHBondContact O-N 3.46Å; C87-K90 HydrophobicContact CB-CB 4.1Å; C87-K90 HydrophobicContact CB-CD 4.41Å; C87-K90 WeakPolarHBondContact O-CB 3.49Å; C87-K90 PolarHBondContact O-N 3.31Å; C87-K90 VanDerWaalsContact O-N 3.11Å; C87-F92 HydrophobicContact CB-CE2 4.21Å
88K79Confident90.4Very high170 Ų17072.7 Ų72.774%0.73935%0.348SS*.THydrogen-bonded Turntrans-51.2133.1-177.2-64-174.7178.7-177.70111.8K90K88-K90 PolarHBondContact O-N 2.85Å
89N81.5Confident90.5Very high155 Ų15564 Ų6483%0.82932%0.316SS*.THydrogen-bonded Turntrans65.89.8178.5-51.2-42.1000115.7E83 C87E83-N89 PolarHBondContact OE1-N 2.95Å; C87-N89 PolarHBondContact O-N 3.46Å
90K90.9Very high90.6Very high100 Ų10064 Ų6444%0.43531%0.31SS..  trans-99.6111.9174.3-173.4179.2173.1-169.60109.7C87 K88 F92C87-K90 HydrophobicContact CB-CB 4.1Å; C87-K90 HydrophobicContact CB-CD 4.41Å; C87-K90 WeakPolarHBondContact O-CB 3.49Å; C87-K90 PolarHBondContact O-N 3.31Å; C87-K90 VanDerWaalsContact O-N 3.11Å; K88-K90 PolarHBondContact O-N 2.85Å; K90-F92 HydrophobicContact CB-CE2 4.13Å; K90-F92 HydrophobicContact CD-CE1 4.26Å; K90-F92 HydrophobicContact CD-CE2 3.67Å; K90-F92 HydrophobicContact CD-CZ 3.52Å; K90-F92 HydrophobicContact CG-CD2 4.22Å; K90-F92 HydrophobicContact CG-CE2 3.7Å; K90-F92 HydrophobicContact CG-CZ 4.07Å; K90-F92 WeakPolarHBondContact O-CD2 3.49Å
91Q91.6Very high90.8Very high123 Ų12362.7 Ų62.758%0.57530%0.304SS*.EExtended strand (participates in β ladder)trans-90.1127.2173.2-65.2-1770.100110.2Y81Y81-Q91 HydrophobicContact CD2-CB 4.05Å; Y81-Q91 HydrophobicContact CD2-CG 3.74Å; Y81-Q91 HydrophobicContact CE2-CG 3.95Å
92F93.9Very high90.7Very high9 Ų961.3 Ų61.34%0.03930%0.299CS..EExtended strand (participates in β ladder)trans-100.9110.9174.9-65.1-105.5000108.4Y81 A82 F84 C87 K90 E97 V98 E101Y81-F92 CarbonylContact C-O 3.47Å; Y81-F92 WeakPolarHBondContact CA-O 3.49Å; A82-F92 HydrophobicContact CB-CB 4.33Å; A82-F92 PolarHBondContact N-O 3.23Å; A82-F92 PolarHBondContact O-N 3.41Å; F84-F92 AromaticContact CD2-CD2 3.95Å; F84-F92 HydrophobicContact CD2-CD2 3.95Å; F84-F92 AromaticContact CD2-CE2 3.55Å; F84-F92 HydrophobicContact CD2-CE2 3.55Å; F84-F92 AromaticContact CD2-CZ 3.89Å; F84-F92 HydrophobicContact CD2-CZ 3.89Å; F84-F92 HydrophobicContact CE2-CD2 4.22Å; F84-F92 HydrophobicContact CE2-CE1 4.4Å; F84-F92 HydrophobicContact CE2-CE2 4.05Å; F84-F92 HydrophobicContact CE2-CG 4.49Å; F84-F92 HydrophobicContact CE2-CZ 4.11Å; C87-F92 HydrophobicContact CB-CE2 4.21Å; K90-F92 HydrophobicContact CB-CE2 4.13Å; K90-F92 HydrophobicContact CD-CE1 4.26Å; K90-F92 HydrophobicContact CD-CE2 3.67Å; K90-F92 HydrophobicContact CD-CZ 3.52Å; K90-F92 HydrophobicContact CG-CD2 4.22Å; K90-F92 HydrophobicContact CG-CE2 3.7Å; K90-F92 HydrophobicContact CG-CZ 4.07Å; K90-F92 WeakPolarHBondContact O-CD2 3.49Å; F92-E97 HydrophobicContact CD1-CB 3.96Å; F92-V98 HydrophobicContact CB-CG2 3.58Å; F92-V98 HydrophobicContact CD1-CG2 4.47Å; F92-V98 HydrophobicContact CG-CG2 4.22Å; F92-E101 HydrophobicContact CE1-CB 4.04Å; F92-E101 HydrophobicContact CE1-CG 4.26Å; F92-E101 HydrophobicContact CZ-CB 4.24Å; F92-E101 HydrophobicContact CZ-CG 3.94Å
93T92.4Very high90.6Very high109 Ų10965 Ų6567%0.66932%0.316SS*.  trans-92.9-23.4174.951.20000112.2
94D92Very high90.6Very high78 Ų7865.3 Ų65.342%0.41733%0.326SS..  trans-92.6118.7172.4-171.8-3.2000110.5D96 E97 V98D94-D96 VanDerWaalsContact C-N 3.27Å; D94-D96 PolarHBondContact O-N 3.42Å; D94-D96 WeakPolarHBondContact OD1-CB 3.35Å; D94-D96 PolarHBondContact OD1-N 3.48Å; D94-E97 HydrophobicContact CB-CB 4.29Å; D94-E97 HydrophobicContact CB-CG 4Å; D94-E97 WeakPolarHBondContact O-CB 3.2Å; D94-E97 PolarHBondContact O-N 2.94Å; D94-E97 VanDerWaalsContact O-N 3.17Å; D94-V98 PolarHBondContact O-N 3.37Å
95F91.6Very high90.6Very high12 Ų1266.4 Ų66.45%0.05333%0.331CS..Hα-helixtrans-74.1-16.8178.6-76.3-94.2000113.1V53 R55 F57 E80 E97 V98 R99 V125V53-F95 HydrophobicContact CG1-CD1 4.43Å; V53-F95 HydrophobicContact CG1-CE1 3.72Å; V53-F95 HydrophobicContact CG1-CZ 4.19Å; R55-F95 HydrophobicContact CB-CB 4.13Å; R55-F95 HydrophobicContact CB-CD1 3.9Å; R55-F95 HydrophobicContact CB-CD2 3.98Å; R55-F95 HydrophobicContact CB-CE1 4.23Å; R55-F95 HydrophobicContact CB-CE2 4.34Å; R55-F95 HydrophobicContact CB-CG 3.72Å; R55-F95 HydrophobicContact CB-CZ 4.44Å; R55-F95 HydrophobicContact CG-CD1 4.36Å; R55-F95 HydrophobicContact CG-CD2 3.74Å; R55-F95 HydrophobicContact CG-CE1 4.36Å; R55-F95 HydrophobicContact CG-CE2 3.77Å; R55-F95 HydrophobicContact CG-CG 4.03Å; R55-F95 HydrophobicContact CG-CZ 4.07Å; F57-F95 HydrophobicContact CB-CB 4.08Å; F57-F95 HydrophobicContact CB-CD1 3.65Å; F57-F95 HydrophobicContact CB-CG 4.35Å; F57-F95 HydrophobicContact CG-CD1 4.31Å; E80-F95 HydrophobicContact CG-CE2 3.93Å; E80-F95 HydrophobicContact CG-CZ 4.23Å; F95-E97 VanDerWaalsContact C-N 3.32Å; F95-V98 HydrophobicContact CD1-CG2 4.33Å; F95-V98 WeakPolarHBondContact O-CB 3.22Å; F95-V98 PolarHBondContact O-N 3.08Å; F95-R99 PolarHBondContact O-N 3.03Å; F95-V125 HydrophobicContact CE1-CG1 3.91Å; F95-V125 HydrophobicContact CE1-CG2 4.36Å; F95-V125 HydrophobicContact CZ-CG1 3.87Å
96D91.6Very high90.8Very high65 Ų6563.9 Ų63.935%0.34832%0.318SS..Hα-helixtrans-69.7-32.7168.2-74.6-34000110.8D94 R99 K100D94-D96 VanDerWaalsContact C-N 3.27Å; D94-D96 PolarHBondContact O-N 3.42Å; D94-D96 WeakPolarHBondContact OD1-CB 3.35Å; D94-D96 PolarHBondContact OD1-N 3.48Å; D96-R99 WeakPolarHBondContact O-CB 3.43Å; D96-R99 PolarHBondContact O-N 3.21Å; D96-R99 IonicContact OD1-CZ 3.65Å; D96-R99 IonicContact OD1-NH2 3.71Å; D96-R99 PolarHBondContact OD1-NH2 2.9Å; D96-K100 WeakPolarHBondContact O-CG 3.37Å; D96-K100 PolarHBondContact O-N 2.88Å; D96-K100 VanDerWaalsContact O-N 3.1Å
97E93.7Very high91Very high78 Ų7863.7 Ų63.736%0.36432%0.319SS..Hα-helixtrans-72.4-35.2172.1-66.5-63.5119.500111.9F92 D94 F95 R99 K100 E101F92-E97 HydrophobicContact CD1-CB 3.96Å; D94-E97 HydrophobicContact CB-CB 4.29Å; D94-E97 HydrophobicContact CB-CG 4Å; D94-E97 WeakPolarHBondContact O-CB 3.2Å; D94-E97 PolarHBondContact O-N 2.94Å; D94-E97 VanDerWaalsContact O-N 3.17Å; F95-E97 VanDerWaalsContact C-N 3.32Å; E97-R99 VanDerWaalsContact C-N 3.29Å; E97-R99 PolarHBondContact O-N 3.34Å; E97-K100 PolarHBondContact O-N 3.49Å; E97-K100 IonicContact OE1-NZ 2.8Å; E97-K100 PolarHBondContact OE1-NZ 3.45Å; E97-E101 WeakPolarHBondContact O-CB 3.49Å; E97-E101 PolarHBondContact O-N 3.39Å
98V94.6Very high91.3Very high0 Ų070.3 Ų70.30%034%0.341CS..Hα-helixtrans-58.2-44.9170.6177.70000110.2F57 A82 F84 F92 D94 F95 E101 I102 L123F57-V98 HydrophobicContact CB-CB 4.46Å; F57-V98 HydrophobicContact CB-CG1 4.19Å; F57-V98 HydrophobicContact CD2-CG1 4.07Å; A82-V98 HydrophobicContact CB-CG2 3.67Å; F84-V98 HydrophobicContact CE2-CG1 4.09Å; F84-V98 HydrophobicContact CZ-CB 4.49Å; F84-V98 HydrophobicContact CZ-CG1 3.72Å; F92-V98 HydrophobicContact CB-CG2 3.58Å; F92-V98 HydrophobicContact CD1-CG2 4.47Å; F92-V98 HydrophobicContact CG-CG2 4.22Å; D94-V98 PolarHBondContact O-N 3.37Å; F95-V98 HydrophobicContact CD1-CG2 4.33Å; F95-V98 WeakPolarHBondContact O-CB 3.22Å; F95-V98 PolarHBondContact O-N 3.08Å; V98-E101 PolarHBondContact O-N 3.35Å; V98-I102 HydrophobicContact CG1-CD1 4.23Å; V98-I102 WeakPolarHBondContact O-CG1 3.48Å; V98-I102 PolarHBondContact O-N 3.38Å; V98-L123 HydrophobicContact CG1-CD1 4.05Å; V98-L123 HydrophobicContact CG1-CD2 3.92Å
99R93.4Very high91.6Very high55 Ų5566.6 Ų66.621%0.20833%0.329CS..Hα-helixtrans-59.3-50.9177.1-172.5-171-54.8-1749.7112.3D56 F57 L58 P59 F95 D96 E97 E101 I102 E103D56-R99 VanDerWaalsContact CB-NH2 3.3Å; D56-R99 PolarHBondContact O-NH2 2.82Å; F57-R99 WeakPolarHBondContact O-CA 3.47Å; F57-R99 VanDerWaalsContact O-CB 3.25Å; F57-R99 WeakPolarHBondContact O-CB 3.47Å; L58-R99 PolarHBondContact O-NE 3.21Å; P59-R99 HydrophobicContact CB-CG 4.42Å; F95-R99 PolarHBondContact O-N 3.03Å; D96-R99 WeakPolarHBondContact O-CB 3.43Å; D96-R99 PolarHBondContact O-N 3.21Å; D96-R99 IonicContact OD1-CZ 3.65Å; D96-R99 IonicContact OD1-NH2 3.71Å; D96-R99 PolarHBondContact OD1-NH2 2.9Å; E97-R99 VanDerWaalsContact C-N 3.29Å; E97-R99 PolarHBondContact O-N 3.34Å; R99-E101 VanDerWaalsContact C-N 3.28Å; R99-E101 PolarHBondContact O-N 2.79Å; R99-I102 PolarHBondContact O-N 2.87Å; R99-E103 PolarHBondContact O-N 3.32Å; R99-E103 VanDerWaalsContact O-N 3.14Å
100K93.6Very high91.8Very high110 Ų11060.5 Ų60.548%0.47830%0.297SS..Hα-helixtrans-60.8-38.3179.2-69.6173.7-165.8165.40111.7D96 E97 E103 A104D96-K100 WeakPolarHBondContact O-CG 3.37Å; D96-K100 PolarHBondContact O-N 2.88Å; D96-K100 VanDerWaalsContact O-N 3.1Å; E97-K100 PolarHBondContact O-N 3.49Å; E97-K100 IonicContact OE1-NZ 2.8Å; E97-K100 PolarHBondContact OE1-NZ 3.45Å; K100-E103 PolarHBondContact O-N 3.24Å; K100-A104 VanDerWaalsContact O-CB 3.27Å; K100-A104 WeakPolarHBondContact O-CB 3.48Å; K100-A104 PolarHBondContact O-N 3.14Å
101E94.8Very high91.3Very high25 Ų2557.2 Ų57.212%0.11729%0.291CS..Hα-helixtrans-67.1-38.6177.4-174.963.7-142.300111.8F84 H86 F92 E97 V98 R99 E103 A104 E105 R108F84-E101 HydrophobicContact CD2-CB 4.4Å; F84-E101 HydrophobicContact CD2-CG 3.77Å; F84-E101 HydrophobicContact CE1-CG 4.5Å; F84-E101 HydrophobicContact CE2-CB 3.69Å; F84-E101 HydrophobicContact CE2-CG 3.55Å; F84-E101 HydrophobicContact CG-CG 4.34Å; F84-E101 HydrophobicContact CZ-CB 3.94Å; F84-E101 HydrophobicContact CZ-CG 3.94Å; H86-E101 IonicContact CD2-OE1 3.42Å; H86-E101 IonicContact CE1-OE1 2.82Å; H86-E101 IonicContact NE2-OE1 3.45Å; H86-E101 PolarHBondContact NE2-OE1 2.9Å; F92-E101 HydrophobicContact CE1-CB 4.04Å; F92-E101 HydrophobicContact CE1-CG 4.26Å; F92-E101 HydrophobicContact CZ-CB 4.24Å; F92-E101 HydrophobicContact CZ-CG 3.94Å; E97-E101 WeakPolarHBondContact O-CB 3.49Å; E97-E101 PolarHBondContact O-N 3.39Å; V98-E101 PolarHBondContact O-N 3.35Å; R99-E101 VanDerWaalsContact C-N 3.28Å; R99-E101 PolarHBondContact O-N 2.79Å; E101-E103 VanDerWaalsContact C-N 3.34Å; E101-E103 PolarHBondContact O-N 2.72Å; E101-A104 PolarHBondContact O-N 3.42Å; E101-E105 WeakPolarHBondContact O-CB 3.46Å; E101-E105 PolarHBondContact O-N 3.29Å; E101-R108 IonicContact OE1-NH2 2.71Å
102I93.8Very high90.6Very high10 Ų1056.5 Ų56.55%0.05130%0.3CS..Hα-helixtrans-60.2-45.3173.9-67.4167.3000110.6F57 L58 P59 L70 F84 V98 R99 T106 I121 L123F57-I102 HydrophobicContact CD2-CD1 4Å; F57-I102 HydrophobicContact CE2-CD1 4.35Å; L58-I102 HydrophobicContact CD2-CD1 4.04Å; P59-I102 HydrophobicContact CG-CG2 4.2Å; L70-I102 HydrophobicContact CD2-CD1 4.44Å; F84-I102 HydrophobicContact CE1-CG1 3.73Å; F84-I102 HydrophobicContact CZ-CD1 4.46Å; F84-I102 HydrophobicContact CZ-CG1 3.74Å; V98-I102 HydrophobicContact CG1-CD1 4.23Å; V98-I102 WeakPolarHBondContact O-CG1 3.48Å; V98-I102 PolarHBondContact O-N 3.38Å; R99-I102 PolarHBondContact O-N 2.87Å; I102-T106 VanDerWaalsContact O-CB 3.3Å; I102-T106 WeakPolarHBondContact O-CB 3.27Å; I102-T106 PolarHBondContact O-N 3.12Å; I102-T106 PolarHBondContact O-OG1 3.15Å; I102-I121 HydrophobicContact CG2-CD1 4.36Å; I102-L123 HydrophobicContact CD1-CD2 4.21Å
103E92Very high89.6Confident77 Ų7761 Ų6136%0.3632%0.324SS..Hα-helixtrans-62.5-52177-68.7175.2175.700110.9P59 R99 K100 E101 E105 T106 D107P59-E103 HydrophobicContact CB-CG 3.63Å; P59-E103 WeakPolarHBondContact CB-OE1 3.1Å; P59-E103 HydrophobicContact CG-CG 4.22Å; R99-E103 PolarHBondContact O-N 3.32Å; R99-E103 VanDerWaalsContact O-N 3.14Å; K100-E103 PolarHBondContact O-N 3.24Å; E101-E103 VanDerWaalsContact C-N 3.34Å; E101-E103 PolarHBondContact O-N 2.72Å; E103-E105 PolarHBondContact O-N 2.91Å; E103-T106 WeakPolarHBondContact O-CB 3.37Å; E103-T106 PolarHBondContact O-N 3.35Å; E103-D107 PolarHBondContact O-N 2.94Å
104A91.7Very high88.6Confident45 Ų4558.9 Ų58.937%0.37231%0.306SS..Hα-helixtrans-63-41-177.600000113K100 E101 D107 R108K100-A104 VanDerWaalsContact O-CB 3.27Å; K100-A104 WeakPolarHBondContact O-CB 3.48Å; K100-A104 PolarHBondContact O-N 3.14Å; E101-A104 PolarHBondContact O-N 3.42Å; A104-D107 PolarHBondContact O-N 2.84Å; A104-R108 WeakPolarHBondContact O-CB 3.28Å; A104-R108 PolarHBondContact O-N 2.76Å
105E91.8Very high88.1Confident22 Ų2256 Ų5610%0.10330%0.295CS..Hα-helixtrans-69.7-34.4176.9178.353.7-147.300111.6R68 H86 E101 E103 R108 I121R68-E105 PolarHBondContact NH1-O 3.07Å; R68-E105 IonicContact NH1-OE1 3.79Å; R68-E105 PolarHBondContact NH1-OE1 3.45Å; R68-E105 VanDerWaalsContact NH1-OE1 3.09Å; R68-E105 IonicContact NH2-OE1 3.91Å; H86-E105 IonicContact CD2-OE2 2.72Å; H86-E105 PolarHBondContact CD2-OE2 3.19Å; H86-E105 IonicContact NE2-OE2 2.77Å; E101-E105 WeakPolarHBondContact O-CB 3.46Å; E101-E105 PolarHBondContact O-N 3.29Å; E103-E105 PolarHBondContact O-N 2.91Å; E105-R108 IonicContact OE2-CZ 3.48Å; E105-R108 IonicContact OE2-NE 3.62Å; E105-R108 IonicContact OE2-NH1 3.72Å; E105-R108 PolarHBondContact OE2-NH1 3.01Å; E105-R108 IonicContact OE2-NH2 2.6Å; E105-I121 HydrophobicContact CG-CD1 4.24Å; E105-I121 HydrophobicContact CG-CG1 4.29Å
106T91.4Very high87.9Confident8 Ų856.7 Ų56.75%0.04930%0.299CS..Hα-helixtrans-65.6-47.5172.7-59.80000110.9R67 R68 I102 E103 R108 L109 T110 I121R67-T106 HydrophobicContact CB-CG2 3.82Å; R68-T106 HydrophobicContact CG-CG2 4.26Å; I102-T106 VanDerWaalsContact O-CB 3.3Å; I102-T106 WeakPolarHBondContact O-CB 3.27Å; I102-T106 PolarHBondContact O-N 3.12Å; I102-T106 PolarHBondContact O-OG1 3.15Å; E103-T106 WeakPolarHBondContact O-CB 3.37Å; E103-T106 PolarHBondContact O-N 3.35Å; T106-R108 VanDerWaalsContact C-N 3.3Å; T106-R108 PolarHBondContact O-N 3.09Å; T106-L109 PolarHBondContact O-N 2.64Å; T106-T110 PolarHBondContact O-N 3.2Å; T106-T110 PolarHBondContact O-OG1 2.97Å; T106-I121 WeakPolarHBondContact OG1-CD1 3.37Å
107D90.6Very high87.8Confident64 Ų6454.6 Ų54.634%0.34229%0.29SS..Hα-helixtrans-64.1-33.6178.1-75.5-27.7000112.5R67 E103 A104 L109 G111R67-D107 IonicContact CZ-OD1 3.87Å; R67-D107 IonicContact NH1-OD1 3.88Å; R67-D107 PolarHBondContact NH1-OD1 2.86Å; R67-D107 IonicContact NH2-OD1 2.75Å; R67-D107 PolarHBondContact NH2-OD1 2.76Å; E103-D107 PolarHBondContact O-N 2.94Å; A104-D107 PolarHBondContact O-N 2.84Å; D107-L109 PolarHBondContact O-N 3.12Å; D107-G111 WeakPolarHBondContact O-CA 3.42Å; D107-G111 PolarHBondContact O-N 2.98Å
108R90.8Very high87.5Confident161 Ų16154.3 Ų54.361%0.60829%0.29SS*.Hα-helixtrans-58.5-36.4177.7-168.6-177.7-62.2151.112.2112.5E101 A104 E105 T106E101-R108 IonicContact OE1-NH2 2.71Å; A104-R108 WeakPolarHBondContact O-CB 3.28Å; A104-R108 PolarHBondContact O-N 2.76Å; E105-R108 IonicContact OE2-CZ 3.48Å; E105-R108 IonicContact OE2-NE 3.62Å; E105-R108 IonicContact OE2-NH1 3.72Å; E105-R108 PolarHBondContact OE2-NH1 3.01Å; E105-R108 IonicContact OE2-NH2 2.6Å; T106-R108 VanDerWaalsContact C-N 3.3Å; T106-R108 PolarHBondContact O-N 3.09Å
109L86.3Confident87.2Confident93 Ų9357.9 Ų57.949%0.48731%0.312SS..Hα-helixtrans-97.9-42.6-177.1-170.867.4000113.1T106 D107 S117 T119T106-L109 PolarHBondContact O-N 2.64Å; D107-L109 PolarHBondContact O-N 3.12Å; L109-S117 WeakPolarHBondContact CD2-OG 3.23Å; L109-T119 HydrophobicContact CD2-CG2 4.31Å
110T84.9Confident87Confident26 Ų2657.4 Ų57.416%0.1632%0.316CS..Hα-helixtrans-92.1-9.2-175.360.50000113.4R67 R68 T106R67-T110 PolarHBondContact NH1-OG1 3.23Å; R68-T110 HydrophobicContact CG-CG2 4.39Å; T106-T110 PolarHBondContact O-N 3.2Å; T106-T110 PolarHBondContact O-OG1 2.97Å
111G81.8Confident86.9Confident31 Ų3152.3 Ų52.332%0.3230%0.295SS..  trans70.9-175.6-169.900000112.6R67 D107 N113R67-G111 PolarHBondContact NH1-O 2.8Å; R67-G111 VanDerWaalsContact NH1-O 3.16Å; D107-G111 WeakPolarHBondContact O-CA 3.42Å; D107-G111 PolarHBondContact O-N 2.98Å; G111-N113 PolarHBondContact O-N 2.82Å
112S76Confident86.7Confident108 Ų10852 Ų5276%0.75529%0.294SS*.SBendtrans-73.7-7.3175.4-48.70000113.3
113N72.6Confident86.7Confident103 Ų10351.6 Ų51.655%0.55129%0.291SS*.SBendtrans-72146.3175.1-65.5-5.7000109.5R67 G111 G115R67-N113 PolarHBondContact NH1-O 3.11Å; G111-N113 PolarHBondContact O-N 2.82Å; N113-G115 PolarHBondContact O-N 2.65Å
114K71.4Confident86.6Confident65 Ų6550.4 Ų50.428%0.28328%0.284SS..SBendtrans-72.727.8178.9-67.1-168.6-179.7-1710114.3S62 Q149S62-K114 PolarHBondContact O-NZ 2.83Å; K114-Q149 HydrophobicContact CB-CG 3.61Å; K114-Q149 WeakPolarHBondContact O-CG 3.44Å; K114-Q149 PolarHBondContact O-NE2 3.44Å
115G81.7Confident86.7Confident19 Ų1948.2 Ų48.220%0.19627%0.266CS..  trans-71.4166.6176.100000112.9R67 N113R67-G115 VanDerWaalsContact CD-O 3.27Å; R67-G115 WeakPolarHBondContact CD-O 3.45Å; N113-G115 PolarHBondContact O-N 2.65Å
116I87.2Confident86.8Confident25 Ų2548.9 Ų48.913%0.12827%0.268CS..  trans-117.2160.5-178.966.6176000111R67 I153 Q156 I157 M160R67-I116 HydrophobicContact CB-CG2 4.4Å; R67-I116 VanDerWaalsContact O-CA 3.25Å; R67-I116 WeakPolarHBondContact O-CA 3.4Å; R67-I116 WeakPolarHBondContact O-CB 3.42Å; I116-I153 HydrophobicContact CD1-CD1 4.06Å; I116-I153 HydrophobicContact CG1-CD1 4.18Å; I116-I153 HydrophobicContact CG2-CD1 3.98Å; I116-Q156 HydrophobicContact CD1-CB 3.67Å; I116-Q156 HydrophobicContact CG1-CB 4.36Å; I116-I157 HydrophobicContact CD1-CB 4.42Å; I116-I157 HydrophobicContact CD1-CG1 3.67Å; I116-M160 HydrophobicContact CB-CE 3.9Å; I116-M160 HydrophobicContact CD1-CE 3.68Å; I116-M160 HydrophobicContact CG1-CE 3.86Å
117S89.3Confident86.8Confident22 Ų2248.5 Ų48.515%0.15427%0.265CS..  trans-142139.8174.4167.90000111.3R67 P69 L109 T119 M160R67-S117 PolarHBondContact O-N 2.69Å; R67-S117 VanDerWaalsContact O-N 3.1Å; P69-S117 WeakPolarHBondContact CD-O 3.21Å; L109-S117 WeakPolarHBondContact CD2-OG 3.23Å; S117-T119 PolarHBondContact O-N 3.24Å; S117-T119 PolarHBondContact OG-N 3.43Å; S117-T119 PolarHBondContact OG-OG1 2.91Å; S117-M160 VanDerWaalsContact C-CE 3.43Å; S117-M160 VanDerWaalsContact O-CE 3.29Å; S117-M160 WeakPolarHBondContact O-CE 3.11Å
118N87.6Confident86.8Confident71 Ų7148.5 Ų48.538%0.3827%0.269SS..SBendtrans-75-12179.5-63.612.8000112.3P120 M160 E163N118-P120 VanDerWaalsContact O-CD 3.29Å; N118-P120 WeakPolarHBondContact O-CD 3.32Å; N118-M160 WeakPolarHBondContact OD1-CE 3.47Å; N118-E163 PolarHBondContact ND2-OE2 3.31Å
119T87.9Confident86.5Confident75 Ų7545.7 Ų45.746%0.4627%0.266SS..SBendtrans-70.9115.2179-50.60000110.7R68 L109 S117R68-T119 PolarHBondContact NE-O 2.92Å; R68-T119 PolarHBondContact NH2-O 3.02Å; R68-T119 VanDerWaalsContact NH2-O 3.15Å; L109-T119 HydrophobicContact CD2-CG2 4.31Å; S117-T119 PolarHBondContact O-N 3.24Å; S117-T119 PolarHBondContact OG-N 3.43Å; S117-T119 PolarHBondContact OG-OG1 2.91Å
120P89.6Confident86.6Confident45 Ų4541.4 Ų41.429%0.29224%0.243SC..  trans-70.6158.3-175.128.1-34.4000112.9R68 P69 V71 N118R68-P120 PolarHBondContact NH2-O 3.23Å; R68-P120 VanDerWaalsContact NH2-O 3.16Å; P69-P120 HydrophobicContact CB-CB 4.19Å; P69-P120 CarbonylContact O-C 3.56Å; P69-P120 WeakPolarHBondContact O-CA 3.17Å; V71-P120 HydrophobicContact CG2-CB 3.96Å; N118-P120 VanDerWaalsContact O-CD 3.29Å; N118-P120 WeakPolarHBondContact O-CD 3.32Å
121I91.6Very high86.8Confident4 Ų443.2 Ų43.22%0.02125%0.252CS..EExtended strand (participates in β ladder)trans-101.2126.9163.4-60.1174.2000107R68 P69 L70 V71 F84 I102 E105 T106R68-I121 HydrophobicContact CB-CD1 4.39Å; R68-I121 HydrophobicContact CB-CG1 4.42Å; P69-I121 PolarHBondContact O-N 3.44Å; L70-I121 HydrophobicContact CD1-CB 3.88Å; L70-I121 HydrophobicContact CD1-CG2 3.82Å; V71-I121 PolarHBondContact N-O 3.16Å; F84-I121 HydrophobicContact CD1-CG2 3.89Å; F84-I121 HydrophobicContact CE1-CG2 3.96Å; I102-I121 HydrophobicContact CG2-CD1 4.36Å; E105-I121 HydrophobicContact CG-CD1 4.24Å; E105-I121 HydrophobicContact CG-CG1 4.29Å; T106-I121 WeakPolarHBondContact OG1-CD1 3.37Å
122N91.3Very high87Confident18 Ų1843.5 Ų43.510%0.09625%0.246CC..EExtended strand (participates in β ladder)trans-101.9115.5178.8-69.4-75.9000109.8V71 F84 L85V71-N122 WeakPolarHBondContact CB-OD1 3.22Å; F84-N122 WeakPolarHBondContact CA-O 3.2Å; L85-N122 HydrophobicContact CB-CB 3.72Å; L85-N122 HydrophobicContact CD2-CB 4.08Å; L85-N122 PolarHBondContact N-O 2.91Å; L85-N122 VanDerWaalsContact N-O 3.13Å
123L92.8Very high87.6Confident1 Ų138.3 Ų38.31%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-122.6124.6-177.9173.361.3000110.2F57 L70 V71 L72 Q73 A82 F84 V98 I102 V125F57-L123 HydrophobicContact CD2-CD2 3.81Å; F57-L123 HydrophobicContact CE2-CD2 3.58Å; L70-L123 HydrophobicContact CD1-CB 3.99Å; L70-L123 HydrophobicContact CD1-CD2 4.47Å; V71-L123 PolarHBondContact O-N 2.71Å; L72-L123 HydrophobicContact CD1-CD2 3.92Å; L72-L123 HydrophobicContact CD1-CG 4.12Å; Q73-L123 PolarHBondContact N-O 2.68Å; A82-L123 HydrophobicContact CB-CD1 3.95Å; F84-L123 HydrophobicContact CD1-CB 4.26Å; F84-L123 HydrophobicContact CD1-CD1 4.03Å; F84-L123 HydrophobicContact CD2-CD1 4.36Å; F84-L123 HydrophobicContact CE1-CB 4.14Å; F84-L123 HydrophobicContact CE1-CD1 3.77Å; F84-L123 HydrophobicContact CE1-CD2 4.43Å; F84-L123 HydrophobicContact CE1-CG 4.33Å; F84-L123 HydrophobicContact CE2-CD1 4.11Å; F84-L123 HydrophobicContact CG-CD1 4.33Å; F84-L123 HydrophobicContact CZ-CD1 3.81Å; V98-L123 HydrophobicContact CG1-CD1 4.05Å; V98-L123 HydrophobicContact CG1-CD2 3.92Å; I102-L123 HydrophobicContact CD1-CD2 4.21Å; L123-V125 HydrophobicContact CD1-CG2 4.5Å; L123-V125 HydrophobicContact CD2-CG2 4.37Å; L123-V125 HydrophobicContact CG-CG2 4.16Å
124R91.5Very high88.4Confident52 Ų5233.8 Ų33.820%0.19619%0.186CC..EExtended strand (participates in β ladder)trans-101.6135.2170-66.2-176.5-172.2151.811.1110.3D19 Q73 A82 E83 Y126D19-R124 IonicContact OD1-CZ 3.58Å; D19-R124 IonicContact OD1-NH2 2.6Å; D19-R124 PolarHBondContact OD1-NH2 3.08Å; D19-R124 IonicContact OD2-CZ 2.69Å; D19-R124 IonicContact OD2-NH2 3.26Å; D19-R124 PolarHBondContact OD2-NH2 2.78Å; Q73-R124 HydrophobicContact CB-CG 4.05Å; Q73-R124 CarbonylContact O-C 3.55Å; Q73-R124 WeakPolarHBondContact O-CA 2.82Å; Q73-R124 VanDerWaalsContact OE1-CG 3.3Å; A82-R124 CarbonylContact C-O 3.48Å; A82-R124 WeakPolarHBondContact CA-O 3.41Å; A82-R124 WeakPolarHBondContact CB-O 3.34Å; E83-R124 PolarHBondContact N-O 2.81Å; E83-R124 PolarHBondContact O-N 3.41Å; R124-Y126 HydrophobicContact CB-CD2 4.48Å; R124-Y126 HydrophobicContact CB-CE2 3.82Å; R124-Y126 WeakPolarHBondContact CD-OH 3.45Å
125V93.7Very high89.4Confident0 Ų030.7 Ų30.70%017%0.172CC..EExtended strand (participates in β ladder)trans-123.5114.6172.7-178.30000108.5V53 L72 Q73 L74 I75 A82 F95 L123V53-V125 HydrophobicContact CG1-CG1 4.03Å; L72-V125 HydrophobicContact CD1-CG2 3.84Å; Q73-V125 PolarHBondContact O-N 2.75Å; L74-V125 HydrophobicContact CD2-CB 3.92Å; L74-V125 HydrophobicContact CD2-CG2 4.36Å; I75-V125 PolarHBondContact N-O 2.64Å; A82-V125 HydrophobicContact CB-CG2 4.32Å; F95-V125 HydrophobicContact CE1-CG1 3.91Å; F95-V125 HydrophobicContact CE1-CG2 4.36Å; F95-V125 HydrophobicContact CZ-CG1 3.87Å; L123-V125 HydrophobicContact CD1-CG2 4.5Å; L123-V125 HydrophobicContact CD2-CG2 4.37Å; L123-V125 HydrophobicContact CG-CG2 4.16Å
126Y93.1Very high90Very high35 Ų3529.8 Ų29.814%0.13716%0.163CC..EExtended strand (participates in β ladder)trans-91.7126.2171.2-61.2-90.9000107.3I75 N79 E80 Y81 R124I75-Y126 HydrophobicContact CB-CD1 3.89Å; I75-Y126 HydrophobicContact CB-CE1 4.08Å; I75-Y126 HydrophobicContact CD1-CD1 4.24Å; I75-Y126 HydrophobicContact CD1-CE1 3.59Å; I75-Y126 HydrophobicContact CG1-CE1 4.42Å; I75-Y126 HydrophobicContact CG2-CD1 3.88Å; I75-Y126 HydrophobicContact CG2-CE1 3.96Å; I75-Y126 WeakPolarHBondContact O-CA 3.2Å; N79-Y126 CarbonylContact O-C 3.48Å; E80-Y126 CarbonylContact C-O 3.57Å; E80-Y126 WeakPolarHBondContact CA-O 3.41Å; Y81-Y126 HydrophobicContact CD1-CD2 4.34Å; Y81-Y126 HydrophobicContact CD1-CG 4.27Å; Y81-Y126 AromaticContact CD2-CD2 3.74Å; Y81-Y126 HydrophobicContact CD2-CD2 3.74Å; Y81-Y126 HydrophobicContact CD2-CE2 4.35Å; Y81-Y126 HydrophobicContact CD2-CG 4.46Å; Y81-Y126 HydrophobicContact CE1-CD1 4.35Å; Y81-Y126 AromaticContact CE1-CD2 3.87Å; Y81-Y126 HydrophobicContact CE1-CD2 3.87Å; Y81-Y126 AromaticContact CE1-CG 3.66Å; Y81-Y126 HydrophobicContact CE1-CG 3.66Å; Y81-Y126 AromaticContact CE2-CD2 3.2Å; Y81-Y126 HydrophobicContact CE2-CD2 3.2Å; Y81-Y126 AromaticContact CE2-CE2 3.52Å; Y81-Y126 HydrophobicContact CE2-CE2 3.52Å; Y81-Y126 AromaticContact CE2-CG 3.89Å; Y81-Y126 HydrophobicContact CE2-CG 3.89Å; Y81-Y126 HydrophobicContact CG-CD2 4.28Å; Y81-Y126 AromaticContact CZ-CD2 3.27Å; Y81-Y126 AromaticContact CZ-CE2 3.73Å; Y81-Y126 AromaticContact CZ-CG 3.45Å; Y81-Y126 VanDerWaalsContact CZ-CG 3.45Å; Y81-Y126 PolarHBondContact N-O 2.85Å; Y81-Y126 PolarHBondContact O-N 2.67Å; R124-Y126 HydrophobicContact CB-CD2 4.48Å; R124-Y126 HydrophobicContact CB-CE2 3.82Å; R124-Y126 WeakPolarHBondContact CD-OH 3.45Å
127S92.1Very high90.4Very high0 Ų028.6 Ų28.60%016%0.157CC..EExtended strand (participates in β ladder)trans-159.9148.4175.7177.30000111I75 N76 S77 E80 N129 V130I75-S127 PolarHBondContact O-N 3.39Å; N76-S127 WeakPolarHBondContact CA-O 3.34Å; S77-S127 PolarHBondContact N-O 3.3Å; S77-S127 VanDerWaalsContact N-O 3.08Å; S77-S127 CarbonylContact O-C 3.08Å; E80-S127 PolarHBondContact OE1-OG 2.75Å; S127-N129 PolarHBondContact O-N 2.86Å; S127-N129 PolarHBondContact OG-N 2.77Å; S127-V130 WeakPolarHBondContact O-CG2 3.31Å
128P88.9Confident90.6Very high64 Ų6427.6 Ų27.642%0.41615%0.15SC..THydrogen-bonded Turntrans-73.9-13.8174.328.6-34.8000112.3S77S77-P128 WeakPolarHBondContact O-CA 3.45Å; S77-P128 WeakPolarHBondContact O-CB 3.21Å; S77-P128 VanDerWaalsContact O-CD 3.26Å; S77-P128 WeakPolarHBondContact O-CD 3.49Å
129N86.2Confident90.8Very high103 Ų10324.2 Ų24.255%0.55113%0.132SC*.THydrogen-bonded Turntrans-94.4-0.1-174.3-55.8-53.4000113.4S127S127-N129 PolarHBondContact O-N 2.86Å; S127-N129 PolarHBondContact OG-N 2.77Å
130V88.6Confident90.9Very high2 Ų221 Ų211%0.01211%0.114CC..  trans-113.2150.5-176.8-54.70000111.7F52 L74 I75 N76 S127F52-V130 WeakPolarHBondContact O-CG1 3.11Å; L74-V130 HydrophobicContact CB-CB 4.18Å; L74-V130 HydrophobicContact CB-CG2 4.04Å; L74-V130 HydrophobicContact CD1-CB 4.48Å; I75-V130 WeakPolarHBondContact O-CG2 3.3Å; N76-V130 WeakPolarHBondContact CB-O 3.22Å; N76-V130 PolarHBondContact ND2-O 2.95Å; S127-V130 WeakPolarHBondContact O-CG2 3.31Å
131L87.2Confident90.9Very high65 Ų6519.5 Ų19.534%0.3410%0.103SC..  trans-85.8151.8163.6-61.8179.8000109.9L74 L133 Q279 N283L74-L131 WeakPolarHBondContact CB-O 3.29Å; L131-L133 PolarHBondContact O-N 2.9Å; L131-L133 VanDerWaalsContact O-N 3.09Å; L131-Q279 HydrophobicContact CB-CG 4.4Å; L131-Q279 HydrophobicContact CD1-CG 4.22Å; L131-Q279 HydrophobicContact CG-CG 4.42Å; L131-N283 HydrophobicContact CB-CB 4.38Å; L131-N283 HydrophobicContact CD1-CB 4.17Å
132N86.9Confident90.6Very high36 Ų3619.5 Ų19.519%0.19310%0.103CC..SBendtrans-58.4114.9172-68.8-21.2000109I11 L74 I75 N76 N283I11-N132 HydrophobicContact CB-CB 4.45Å; I11-N132 HydrophobicContact CD1-CB 4.44Å; I11-N132 WeakPolarHBondContact CD1-O 3.46Å; I11-N132 HydrophobicContact CG2-CB 4.35Å; L74-N132 CarbonylContact O-C 3.56Å; L74-N132 VanDerWaalsContact O-CA 3.25Å; L74-N132 WeakPolarHBondContact O-CA 3.46Å; I75-N132 WeakPolarHBondContact CA-OD1 3.17Å; N76-N132 PolarHBondContact N-OD1 2.74Å; N132-N283 PolarHBondContact O-ND2 3.14Å
133L89.2Confident90.2Very high0 Ų024.4 Ų24.40%012%0.124CC..EExtended strand (participates in β ladder)trans-158.4136.7-174.9-175.465000110.1I35 F52 L74 L131 L135 L282 L286I35-L133 HydrophobicContact CD1-CD1 3.94Å; F52-L133 HydrophobicContact CD2-CD2 4.42Å; F52-L133 HydrophobicContact CE2-CD2 4.49Å; L74-L133 HydrophobicContact CB-CB 4.36Å; L74-L133 WeakPolarHBondContact CB-O 3.26Å; L74-L133 HydrophobicContact CD1-CB 4.45Å; L74-L133 PolarHBondContact N-O 3.09Å; L74-L133 PolarHBondContact O-N 3.47Å; L131-L133 PolarHBondContact O-N 2.9Å; L131-L133 VanDerWaalsContact O-N 3.09Å; L133-L135 HydrophobicContact CD1-CD2 4.28Å; L133-L135 HydrophobicContact CD2-CD1 3.8Å; L133-L135 HydrophobicContact CD2-CD2 4Å; L133-L135 HydrophobicContact CD2-CG 3.94Å; L133-L135 HydrophobicContact CG-CD1 4.33Å; L133-L135 HydrophobicContact CG-CD2 4.01Å; L133-L135 HydrophobicContact CG-CG 3.94Å; L133-L282 HydrophobicContact CD1-CB 3.96Å; L133-L282 HydrophobicContact CD2-CB 4.08Å; L133-L282 HydrophobicContact CD2-CD1 4.43Å; L133-L286 HydrophobicContact CD1-CB 4.41Å; L133-L286 HydrophobicContact CD1-CD2 3.91Å
134T89.6Confident89.9Confident7 Ų729.3 Ų29.34%0.04315%0.153CC..EExtended strand (participates in β ladder)trans-117.7121.9175.6-56.50000109.6N15 V71 L72 Q73N15-T134 PolarHBondContact ND2-OG1 3.38Å; N15-T134 PolarHBondContact OD1-OG1 2.82Å; V71-T134 HydrophobicContact CG1-CG2 4.19Å; L72-T134 WeakPolarHBondContact O-CA 3.21Å; Q73-T134 HydrophobicContact CG-CG2 3.82Å
135L92.6Very high89.4Confident0 Ų029.5 Ų29.50%016%0.161CC..EExtended strand (participates in β ladder)trans-127.1147.7-177.9-58.7174.3000109.6I35 V37 L49 F52 L72 L133 L282I35-L135 HydrophobicContact CB-CD2 3.66Å; I35-L135 HydrophobicContact CD1-CD2 3.79Å; I35-L135 HydrophobicContact CG1-CD2 4.35Å; I35-L135 HydrophobicContact CG2-CD2 3.63Å; I35-L135 CarbonylContact O-C 3.55Å; I35-L135 WeakPolarHBondContact O-CA 3.09Å; V37-L135 HydrophobicContact CG2-CB 4.46Å; L49-L135 HydrophobicContact CD2-CB 4.14Å; L49-L135 HydrophobicContact CD2-CD1 3.34Å; L49-L135 HydrophobicContact CD2-CG 4.37Å; F52-L135 HydrophobicContact CD2-CD1 3.53Å; F52-L135 HydrophobicContact CE2-CD1 3.57Å; L72-L135 PolarHBondContact N-O 2.85Å; L72-L135 PolarHBondContact O-N 3.25Å; L133-L135 HydrophobicContact CD1-CD2 4.28Å; L133-L135 HydrophobicContact CD2-CD1 3.8Å; L133-L135 HydrophobicContact CD2-CD2 4Å; L133-L135 HydrophobicContact CD2-CG 3.94Å; L133-L135 HydrophobicContact CG-CD1 4.33Å; L133-L135 HydrophobicContact CG-CD2 4.01Å; L133-L135 HydrophobicContact CG-CG 3.94Å; L135-L282 HydrophobicContact CD2-CD1 4.37Å
136I93.3Very high88.7Confident1 Ų132 Ų321%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-113110.3173-53.8-178.3000108.1Q34 I35 V37 P69 L70 V71 L138 F164Q34-I136 HydrophobicContact CB-CD1 4.3Å; Q34-I136 HydrophobicContact CG-CD1 3.99Å; Q34-I136 VanDerWaalsContact NE2-CD1 3.34Å; I35-I136 PolarHBondContact O-N 3.43Å; V37-I136 PolarHBondContact N-O 3.06Å; P69-I136 HydrophobicContact CB-CG2 4.22Å; L70-I136 CarbonylContact O-C 3.54Å; L70-I136 WeakPolarHBondContact O-CA 3.23Å; V71-I136 HydrophobicContact CG2-CD1 4.45Å; V71-I136 HydrophobicContact CG2-CG1 4.24Å; I136-L138 HydrophobicContact CG2-CD2 3.75Å; I136-L138 HydrophobicContact CG2-CG 4.21Å; I136-L138 PolarHBondContact O-N 3.21Å; I136-F164 HydrophobicContact CD1-CD1 4.05Å; I136-F164 HydrophobicContact CD1-CE1 4.28Å; I136-F164 HydrophobicContact CG2-CD1 4.45Å; I136-F164 HydrophobicContact CG2-CE1 4.41Å
137D94.7Very high88Confident0 Ų033.6 Ų33.60%020%0.203CC..EExtended strand (participates in β ladder)trans-77.5119.8169.4-161.423.3000108.8S46 L49 T66 P69 L70S46-D137 PolarHBondContact OG-OD2 3.03Å; L49-D137 HydrophobicContact CD1-CB 3.43Å; L49-D137 VanDerWaalsContact CD1-CB 3.43Å; L49-D137 VanDerWaalsContact CD1-CG 3.44Å; T66-D137 PolarHBondContact OG1-OD2 3.12Å; P69-D137 CarbonylContact C-O 3.33Å; P69-D137 WeakPolarHBondContact CA-O 3.42Å; L70-D137 HydrophobicContact CB-CB 4.13Å; L70-D137 PolarHBondContact N-O 3.23Å; L70-D137 PolarHBondContact O-N 3.27Å
138L94.1Very high87.5Confident0 Ų039.6 Ų39.60%024%0.235CC..PPolyproline II helixtrans-101.5151.8177-63.1174.3000110.4A36 V37 V38 K45 P69 I136 G140 I161 F164 I165A36-L138 HydrophobicContact CB-CD1 3.92Å; V37-L138 PolarHBondContact O-N 3Å; V38-L138 HydrophobicContact CG2-CD1 4.03Å; K45-L138 WeakPolarHBondContact CE-O 3.32Å; P69-L138 HydrophobicContact CB-CD2 3.94Å; P69-L138 HydrophobicContact CG-CD2 4.12Å; I136-L138 HydrophobicContact CG2-CD2 3.75Å; I136-L138 HydrophobicContact CG2-CG 4.21Å; I136-L138 PolarHBondContact O-N 3.21Å; L138-G140 PolarHBondContact O-N 3.37Å; L138-I161 HydrophobicContact CB-CG1 4.23Å; L138-I161 HydrophobicContact CD1-CB 4.46Å; L138-I161 HydrophobicContact CD1-CG1 4.25Å; L138-I161 HydrophobicContact CD1-CG2 4.22Å; L138-F164 HydrophobicContact CD1-CB 4.18Å; L138-F164 HydrophobicContact CD1-CD2 4.49Å; L138-F164 HydrophobicContact CD1-CG 4.48Å; L138-F164 HydrophobicContact CD2-CD2 3.62Å; L138-F164 HydrophobicContact CD2-CE2 3.9Å; L138-F164 HydrophobicContact CD2-CG 3.99Å; L138-F164 HydrophobicContact CD2-CZ 4.46Å; L138-I165 HydrophobicContact CD1-CG2 4.47Å
139P92Very high87.2Confident1 Ų137.2 Ų37.21%0.00622%0.219CC..PPolyproline II helixtrans-49.5140.2172.2-3038000112.4T66 I157 M160T66-P139 WeakPolarHBondContact O-CA 3.29Å; T66-P139 WeakPolarHBondContact O-CB 3.42Å; T66-P139 WeakPolarHBondContact O-CG 3.19Å; P139-I157 HydrophobicContact CB-CG2 4.22Å; P139-M160 HydrophobicContact CG-CE 4.45Å; P139-M160 HydrophobicContact CG-SD 3.58Å; P139-M160 VanDerWaalsContact CG-SD 3.58Å
140G91Very high87Confident7 Ų734.1 Ų34.17%0.07220%0.204CC..PPolyproline II helixtrans-73138.1178.300000112G39 L138 T142G39-G140 WeakPolarHBondContact O-CA 3.11Å; L138-G140 PolarHBondContact O-N 3.37Å; G140-T142 PolarHBondContact O-N 3.4Å
141M89.5Confident86.9Confident14 Ų1439.9 Ų39.97%0.06924%0.242CC..BIsolated β-bridgetrans-58128.1173.9-70.6-62.9-64.800110.8G39 Q41 E154 I157 R158 I161 D186 L190G39-M141 PolarHBondContact O-N 2.99Å; Q41-M141 PolarHBondContact N-O 2.87Å; M141-E154 HydrophobicContact CE-CG 4.24Å; M141-I157 HydrophobicContact SD-CB 4.44Å; M141-I157 HydrophobicContact SD-CG2 3.73Å; M141-R158 HydrophobicContact CE-CB 4.1Å; M141-R158 HydrophobicContact SD-CB 4.42Å; M141-I161 HydrophobicContact CG-CD1 3.91Å; M141-I161 HydrophobicContact SD-CD1 3.51Å; M141-I161 VanDerWaalsContact SD-CD1 3.51Å; M141-D186 HydrophobicContact CB-CB 4.28Å; M141-D186 HydrophobicContact CG-CB 4.3Å; M141-L190 HydrophobicContact CG-CD1 4.02Å; M141-L190 HydrophobicContact SD-CD1 3.95Å
142T85.2Confident87Confident4 Ų440.3 Ų40.33%0.02524%0.244CC..  trans-123.7129.4174.3580000109.9Q41 I64 G140 E154 I157Q41-T142 HydrophobicContact CB-CG2 4.06Å; Q41-T142 HydrophobicContact CG-CG2 4.33Å; I64-T142 HydrophobicContact CD1-CG2 3.68Å; I64-T142 HydrophobicContact CG1-CG2 3.49Å; I64-T142 VanDerWaalsContact CG1-CG2 3.49Å; G140-T142 PolarHBondContact O-N 3.4Å; T142-E154 WeakPolarHBondContact O-CB 3.39Å; T142-I157 HydrophobicContact CG2-CD1 4.48Å; T142-I157 WeakPolarHBondContact OG1-CD1 3.4Å
143K83.1Confident87Confident121 Ų12138.6 Ų38.653%0.52624%0.235SC..SBendtrans-88.9-18.2179.7-63-178.4178.6176.10113.5D186K143-D186 WeakPolarHBondContact CE-OD1 3.27Å; K143-D186 WeakPolarHBondContact CE-OD2 3.27Å; K143-D186 IonicContact NZ-OD1 3.85Å; K143-D186 PolarHBondContact NZ-OD1 2.96Å; K143-D186 IonicContact NZ-OD2 2.85Å; K143-D186 PolarHBondContact NZ-OD2 3.06Å
144V84.5Confident87.1Confident104 Ų10442.6 Ų42.663%0.6325%0.254SS*.SBendtrans-133.3126.1-177.3-176.90000108.1
145P81.4Confident87.2Confident55 Ų5547 Ų4736%0.35728%0.28SS..  trans-63.2138.1174.925.7-32.8000110.4Q149 I153P145-Q149 HydrophobicContact CB-CB 3.81Å; P145-I153 HydrophobicContact CB-CG2 3.79Å
146V79.2Confident87.2Confident54 Ų5450 Ų5033%0.32729%0.294SS..  trans-122.1133.4178.2-66.30000111.6Q149V146-Q149 VanDerWaalsContact O-CG 3.31Å; V146-Q149 WeakPolarHBondContact O-CG 3.38Å
147G79.1Confident87.1Confident68 Ų6849.9 Ų49.970%0.70129%0.294SS*.SBendtrans67-134.8-17600000111.5Q149G147-Q149 PolarHBondContact O-N 3.27Å; G147-Q149 VanDerWaalsContact O-N 3.14Å
148D81.4Confident87.1Confident125 Ų12554.7 Ų54.767%0.66831%0.312SS*.SBendtrans-84.526.9-176.9-50.9-46.2000113.7
149Q82.3Confident87.1Confident15 Ų1558.3 Ų58.37%0.0734%0.337CS..  trans-75.6142.5178.8-75.4-178.4-22.200111.4K114 P145 V146 G147 I153K114-Q149 HydrophobicContact CB-CG 3.61Å; K114-Q149 WeakPolarHBondContact O-CG 3.44Å; K114-Q149 PolarHBondContact O-NE2 3.44Å; P145-Q149 HydrophobicContact CB-CB 3.81Å; V146-Q149 VanDerWaalsContact O-CG 3.31Å; V146-Q149 WeakPolarHBondContact O-CG 3.38Å; G147-Q149 PolarHBondContact O-N 3.27Å; G147-Q149 VanDerWaalsContact O-N 3.14Å; Q149-I153 HydrophobicContact CB-CB 4.43Å; Q149-I153 HydrophobicContact CB-CG1 4.43Å; Q149-I153 HydrophobicContact CB-CG2 4.45Å
150P83Confident87.1Confident38 Ų3858.2 Ų58.225%0.24734%0.337CS..  trans-66.4151.5177.432-37.1000110.7D152 I153P150-D152 WeakPolarHBondContact CB-OD1 3.46Å; P150-D152 PolarHBondContact O-N 3.36Å; P150-I153 HydrophobicContact CG-CB 4.21Å; P150-I153 HydrophobicContact CG-CD1 4.23Å; P150-I153 VanDerWaalsContact O-CB 3.29Å; P150-I153 WeakPolarHBondContact O-CB 3.43Å; P150-I153 WeakPolarHBondContact O-CG2 3.22Å; P150-I153 PolarHBondContact O-N 2.9Å; P150-I153 VanDerWaalsContact O-N 3.1Å
151P86.1Confident87.2Confident122 Ų12257.9 Ų57.979%0.79233%0.333SS*.THydrogen-bonded Turntrans-63.5-24.4-175.325.4-34.3000113.5
152D89.3Confident87.4Confident74 Ų7459.1 Ų59.140%0.39634%0.34SS..THydrogen-bonded Turntrans-93.514.9178.367.3-41.7000113.4P150 E154 V155 Q156P150-D152 WeakPolarHBondContact CB-OD1 3.46Å; P150-D152 PolarHBondContact O-N 3.36Å; D152-E154 PolarHBondContact O-N 2.91Å; D152-E154 VanDerWaalsContact O-N 3.13Å; D152-V155 WeakPolarHBondContact O-CA 3.35Å; D152-V155 WeakPolarHBondContact O-CB 3.32Å; D152-V155 PolarHBondContact O-N 2.83Å; D152-Q156 VanDerWaalsContact CG-NE2 3.26Å; D152-Q156 PolarHBondContact O-N 3.36Å; D152-Q156 VanDerWaalsContact O-N 3.07Å; D152-Q156 PolarHBondContact OD1-NE2 3.16Å; D152-Q156 VanDerWaalsContact OD1-NE2 3.07Å; D152-Q156 PolarHBondContact OD2-NE2 3.41Å
153I87.4Confident87.7Confident1 Ų163.9 Ų63.91%0.00536%0.362CS..Hα-helixtrans-54.2-36.6-176.3-170.459.3000113.5I64 I116 P145 Q149 P150 V155 Q156 I157I64-I153 HydrophobicContact CD1-CG1 4.1Å; I116-I153 HydrophobicContact CD1-CD1 4.06Å; I116-I153 HydrophobicContact CG1-CD1 4.18Å; I116-I153 HydrophobicContact CG2-CD1 3.98Å; P145-I153 HydrophobicContact CB-CG2 3.79Å; Q149-I153 HydrophobicContact CB-CB 4.43Å; Q149-I153 HydrophobicContact CB-CG1 4.43Å; Q149-I153 HydrophobicContact CB-CG2 4.45Å; P150-I153 HydrophobicContact CG-CB 4.21Å; P150-I153 HydrophobicContact CG-CD1 4.23Å; P150-I153 VanDerWaalsContact O-CB 3.29Å; P150-I153 WeakPolarHBondContact O-CB 3.43Å; P150-I153 WeakPolarHBondContact O-CG2 3.22Å; P150-I153 PolarHBondContact O-N 2.9Å; P150-I153 VanDerWaalsContact O-N 3.1Å; I153-V155 VanDerWaalsContact C-N 3.32Å; I153-V155 PolarHBondContact O-N 3.11Å; I153-Q156 PolarHBondContact O-N 2.81Å; I153-I157 HydrophobicContact CD1-CD1 4.38Å; I153-I157 HydrophobicContact CD1-CG1 4.27Å; I153-I157 HydrophobicContact CG1-CD1 3.95Å; I153-I157 HydrophobicContact CG1-CG1 4.31Å; I153-I157 VanDerWaalsContact O-CG1 3.3Å; I153-I157 WeakPolarHBondContact O-CG1 3.36Å; I153-I157 PolarHBondContact O-N 3.02Å
154E90.1Very high88Confident83 Ų8359.5 Ų59.539%0.38834%0.343SS..Hα-helixtrans-60.1-43.4176.2-177.1-179.7175.800111.3M141 T142 D152 R158M141-E154 HydrophobicContact CE-CG 4.24Å; T142-E154 WeakPolarHBondContact O-CB 3.39Å; D152-E154 PolarHBondContact O-N 2.91Å; D152-E154 VanDerWaalsContact O-N 3.13Å; E154-R158 VanDerWaalsContact O-CB 3.23Å; E154-R158 WeakPolarHBondContact O-CB 3.3Å; E154-R158 PolarHBondContact O-N 3.4Å
155V92.4Very high88.5Confident99 Ų9954.6 Ų54.660%0.631%0.313SS*.Hα-helixtrans-66.3-42.4178.5-1780000110D152 I153 R158 S159D152-V155 WeakPolarHBondContact O-CA 3.35Å; D152-V155 WeakPolarHBondContact O-CB 3.32Å; D152-V155 PolarHBondContact O-N 2.83Å; I153-V155 VanDerWaalsContact C-N 3.32Å; I153-V155 PolarHBondContact O-N 3.11Å; V155-R158 PolarHBondContact O-N 2.74Å; V155-S159 VanDerWaalsContact O-CB 3.25Å; V155-S159 WeakPolarHBondContact O-CB 3.35Å; V155-S159 PolarHBondContact O-N 2.77Å
156Q91.6Very high89.1Confident63 Ų6355.6 Ų55.629%0.29432%0.318SS..Hα-helixtrans-63.9-46.9178.8-61.4-176.423.200112I116 D152 I153 S159 M160I116-Q156 HydrophobicContact CD1-CB 3.67Å; I116-Q156 HydrophobicContact CG1-CB 4.36Å; D152-Q156 VanDerWaalsContact CG-NE2 3.26Å; D152-Q156 PolarHBondContact O-N 3.36Å; D152-Q156 VanDerWaalsContact O-N 3.07Å; D152-Q156 PolarHBondContact OD1-NE2 3.16Å; D152-Q156 VanDerWaalsContact OD1-NE2 3.07Å; D152-Q156 PolarHBondContact OD2-NE2 3.41Å; I153-Q156 PolarHBondContact O-N 2.81Å; Q156-S159 PolarHBondContact O-N 3.26Å; Q156-M160 WeakPolarHBondContact O-CB 3.3Å; Q156-M160 PolarHBondContact O-N 3.05Å
157I92.2Very high89.6Confident0 Ų056.5 Ų56.50%032%0.319CS..Hα-helixtrans-63.2-45.1177-63.8166.9000110.4I64 I116 P139 M141 T142 I153 S159 M160 I161I64-I157 HydrophobicContact CD1-CD1 3.39Å; I64-I157 HydrophobicContact CD1-CG1 4.44Å; I116-I157 HydrophobicContact CD1-CB 4.42Å; I116-I157 HydrophobicContact CD1-CG1 3.67Å; P139-I157 HydrophobicContact CB-CG2 4.22Å; M141-I157 HydrophobicContact SD-CB 4.44Å; M141-I157 HydrophobicContact SD-CG2 3.73Å; T142-I157 HydrophobicContact CG2-CD1 4.48Å; T142-I157 WeakPolarHBondContact OG1-CD1 3.4Å; I153-I157 HydrophobicContact CD1-CD1 4.38Å; I153-I157 HydrophobicContact CD1-CG1 4.27Å; I153-I157 HydrophobicContact CG1-CD1 3.95Å; I153-I157 HydrophobicContact CG1-CG1 4.31Å; I153-I157 VanDerWaalsContact O-CG1 3.3Å; I153-I157 WeakPolarHBondContact O-CG1 3.36Å; I153-I157 PolarHBondContact O-N 3.02Å; I157-S159 VanDerWaalsContact C-N 3.33Å; I157-S159 PolarHBondContact O-N 2.82Å; I157-M160 PolarHBondContact O-N 3.49Å; I157-I161 HydrophobicContact CG2-CD1 3.71Å; I157-I161 HydrophobicContact CG2-CG1 4.27Å; I157-I161 WeakPolarHBondContact O-CG1 3.23Å; I157-I161 PolarHBondContact O-N 2.6Å
158R94.2Very high90.1Very high101 Ų10160.9 Ų60.938%0.38132%0.321SS..Hα-helixtrans-59.4-46.9177.8-175.5175.6179.6-144.11.2110.9M141 E154 V155 M160 I161 L162 L190 E193M141-R158 HydrophobicContact CE-CB 4.1Å; M141-R158 HydrophobicContact SD-CB 4.42Å; E154-R158 VanDerWaalsContact O-CB 3.23Å; E154-R158 WeakPolarHBondContact O-CB 3.3Å; E154-R158 PolarHBondContact O-N 3.4Å; V155-R158 PolarHBondContact O-N 2.74Å; R158-M160 VanDerWaalsContact C-N 3.33Å; R158-M160 PolarHBondContact O-N 3.3Å; R158-I161 PolarHBondContact O-N 3.42Å; R158-L162 HydrophobicContact CG-CD1 3.99Å; R158-L162 HydrophobicContact CG-CG 4.43Å; R158-L162 WeakPolarHBondContact O-CB 3.26Å; R158-L162 VanDerWaalsContact O-CG 3.29Å; R158-L162 WeakPolarHBondContact O-CG 3.22Å; R158-L162 PolarHBondContact O-N 2.97Å; R158-L190 HydrophobicContact CG-CD2 3.98Å; R158-E193 IonicContact CZ-OE2 2.66Å; R158-E193 IonicContact NE-OE2 2.69Å; R158-E193 IonicContact NH2-OE1 3.8Å; R158-E193 PolarHBondContact NH2-OE1 2.83Å; R158-E193 IonicContact NH2-OE2 2.79Å; R158-E193 PolarHBondContact NH2-OE2 3.29Å
159S93.4Very high90.4Very high75 Ų7556.8 Ų56.852%0.52430%0.299SS..Hα-helixtrans-60-43.9177.7-1690000111.3V155 Q156 I157 L162 E163V155-S159 VanDerWaalsContact O-CB 3.25Å; V155-S159 WeakPolarHBondContact O-CB 3.35Å; V155-S159 PolarHBondContact O-N 2.77Å; Q156-S159 PolarHBondContact O-N 3.26Å; I157-S159 VanDerWaalsContact C-N 3.33Å; I157-S159 PolarHBondContact O-N 2.82Å; S159-L162 PolarHBondContact O-N 3.38Å; S159-E163 PolarHBondContact O-N 3.47Å; S159-E163 VanDerWaalsContact O-N 3.08Å
160M91.9Very high90.9Very high0 Ų056.1 Ų56.10%030%0.296CS..Hα-helixtrans-61.7-48.7175.9-177.6-166.7-68.800111.3P69 I116 S117 N118 P139 Q156 I157 R158 L162 E163 F164P69-M160 HydrophobicContact CG-CG 4.38Å; P69-M160 HydrophobicContact CG-SD 3.83Å; I116-M160 HydrophobicContact CB-CE 3.9Å; I116-M160 HydrophobicContact CD1-CE 3.68Å; I116-M160 HydrophobicContact CG1-CE 3.86Å; S117-M160 VanDerWaalsContact C-CE 3.43Å; S117-M160 VanDerWaalsContact O-CE 3.29Å; S117-M160 WeakPolarHBondContact O-CE 3.11Å; N118-M160 WeakPolarHBondContact OD1-CE 3.47Å; P139-M160 HydrophobicContact CG-CE 4.45Å; P139-M160 HydrophobicContact CG-SD 3.58Å; P139-M160 VanDerWaalsContact CG-SD 3.58Å; Q156-M160 WeakPolarHBondContact O-CB 3.3Å; Q156-M160 PolarHBondContact O-N 3.05Å; I157-M160 PolarHBondContact O-N 3.49Å; R158-M160 VanDerWaalsContact C-N 3.33Å; R158-M160 PolarHBondContact O-N 3.3Å; M160-L162 VanDerWaalsContact C-N 3.32Å; M160-L162 PolarHBondContact O-N 3.02Å; M160-E163 VanDerWaalsContact O-CB 3.29Å; M160-E163 WeakPolarHBondContact O-CB 3.3Å; M160-E163 PolarHBondContact O-N 3.39Å; M160-F164 HydrophobicContact CG-CE2 4.32Å; M160-F164 VanDerWaalsContact O-CD2 3.27Å; M160-F164 WeakPolarHBondContact O-CD2 3.42Å
161I94.1Very high91.5Very high0 Ų054.3 Ų54.30%028%0.284CS..Hα-helixtrans-59.7-45.7179.1-69.1168.1000110.5V38 L138 M141 I157 R158 E163 F164 I165 L190V38-I161 HydrophobicContact CG1-CD1 4.45Å; V38-I161 HydrophobicContact CG1-CG2 4.05Å; V38-I161 HydrophobicContact CG2-CG2 3.88Å; L138-I161 HydrophobicContact CB-CG1 4.23Å; L138-I161 HydrophobicContact CD1-CB 4.46Å; L138-I161 HydrophobicContact CD1-CG1 4.25Å; L138-I161 HydrophobicContact CD1-CG2 4.22Å; M141-I161 HydrophobicContact CG-CD1 3.91Å; M141-I161 HydrophobicContact SD-CD1 3.51Å; M141-I161 VanDerWaalsContact SD-CD1 3.51Å; I157-I161 HydrophobicContact CG2-CD1 3.71Å; I157-I161 HydrophobicContact CG2-CG1 4.27Å; I157-I161 WeakPolarHBondContact O-CG1 3.23Å; I157-I161 PolarHBondContact O-N 2.6Å; R158-I161 PolarHBondContact O-N 3.42Å; I161-E163 VanDerWaalsContact C-N 3.26Å; I161-E163 PolarHBondContact O-N 3.13Å; I161-F164 PolarHBondContact O-N 3.3Å; I161-F164 VanDerWaalsContact O-N 3.09Å; I161-I165 HydrophobicContact CG2-CD1 3.73Å; I161-I165 HydrophobicContact CG2-CG1 4.04Å; I161-I165 HydrophobicContact CG2-CG2 4.22Å; I161-I165 WeakPolarHBondContact O-CG1 3.07Å; I161-I165 PolarHBondContact O-N 3.39Å; I161-L190 HydrophobicContact CD1-CD1 4.3Å; I161-L190 HydrophobicContact CG2-CD1 4.16Å
162L94.1Very high92Very high39 Ų3948.5 Ų48.520%0.20425%0.247CC..Hα-helixtrans-60.8-32.9179.4-74173.5000112.6R158 S159 M160 F164 I165 T166 V194R158-L162 HydrophobicContact CG-CD1 3.99Å; R158-L162 HydrophobicContact CG-CG 4.43Å; R158-L162 WeakPolarHBondContact O-CB 3.26Å; R158-L162 VanDerWaalsContact O-CG 3.29Å; R158-L162 WeakPolarHBondContact O-CG 3.22Å; R158-L162 PolarHBondContact O-N 2.97Å; S159-L162 PolarHBondContact O-N 3.38Å; M160-L162 VanDerWaalsContact C-N 3.32Å; M160-L162 PolarHBondContact O-N 3.02Å; L162-F164 PolarHBondContact O-N 2.9Å; L162-I165 HydrophobicContact CD2-CD1 4.31Å; L162-I165 HydrophobicContact CD2-CG1 4.27Å; L162-T166 WeakPolarHBondContact O-CB 3.36Å; L162-T166 PolarHBondContact O-N 3.19Å; L162-T166 PolarHBondContact O-OG1 3.03Å; L162-V194 HydrophobicContact CD2-CG1 3.75Å
163E90.8Very high92.4Very high105 Ų10545 Ų4549%0.49123%0.228SC..Hα-helixtrans-56.2-38.1174.6-166.4179.6164.700112N118 S159 M160 I161N118-E163 PolarHBondContact ND2-OE2 3.31Å; S159-E163 PolarHBondContact O-N 3.47Å; S159-E163 VanDerWaalsContact O-N 3.08Å; M160-E163 VanDerWaalsContact O-CB 3.29Å; M160-E163 WeakPolarHBondContact O-CB 3.3Å; M160-E163 PolarHBondContact O-N 3.39Å; I161-E163 VanDerWaalsContact C-N 3.26Å; I161-E163 PolarHBondContact O-N 3.13Å
164F90.6Very high92.8Very high29 Ų2945 Ų4513%0.12723%0.228CC..Hα-helixtrans-84.4-49.3177.9-67.1-90.8000112.7P69 I136 L138 M160 I161 L162 C170P69-F164 HydrophobicContact CB-CE2 4.22Å; P69-F164 HydrophobicContact CB-CZ 3.88Å; P69-F164 HydrophobicContact CG-CE2 3.7Å; P69-F164 HydrophobicContact CG-CZ 3.73Å; I136-F164 HydrophobicContact CD1-CD1 4.05Å; I136-F164 HydrophobicContact CD1-CE1 4.28Å; I136-F164 HydrophobicContact CG2-CD1 4.45Å; I136-F164 HydrophobicContact CG2-CE1 4.41Å; L138-F164 HydrophobicContact CD1-CB 4.18Å; L138-F164 HydrophobicContact CD1-CD2 4.49Å; L138-F164 HydrophobicContact CD1-CG 4.48Å; L138-F164 HydrophobicContact CD2-CD2 3.62Å; L138-F164 HydrophobicContact CD2-CE2 3.9Å; L138-F164 HydrophobicContact CD2-CG 3.99Å; L138-F164 HydrophobicContact CD2-CZ 4.46Å; M160-F164 HydrophobicContact CG-CE2 4.32Å; M160-F164 VanDerWaalsContact O-CD2 3.27Å; M160-F164 WeakPolarHBondContact O-CD2 3.42Å; I161-F164 PolarHBondContact O-N 3.3Å; I161-F164 VanDerWaalsContact O-N 3.09Å; L162-F164 PolarHBondContact O-N 2.9Å; F164-C170 WeakPolarHBondContact O-CB 3.49Å
165I93.9Very high93.1Very high0 Ų041 Ų410%021%0.209CC..Hα-helixtrans-83.8-16.2-16969170.1000114.5A36 V38 L138 I161 L162 Q167 I172 L190 V194 R200A36-I165 HydrophobicContact CB-CG2 3.98Å; V38-I165 HydrophobicContact CG2-CG2 3.75Å; L138-I165 HydrophobicContact CD1-CG2 4.47Å; I161-I165 HydrophobicContact CG2-CD1 3.73Å; I161-I165 HydrophobicContact CG2-CG1 4.04Å; I161-I165 HydrophobicContact CG2-CG2 4.22Å; I161-I165 WeakPolarHBondContact O-CG1 3.07Å; I161-I165 PolarHBondContact O-N 3.39Å; L162-I165 HydrophobicContact CD2-CD1 4.31Å; L162-I165 HydrophobicContact CD2-CG1 4.27Å; I165-Q167 PolarHBondContact O-N 3.28Å; I165-I172 HydrophobicContact CB-CD1 4.03Å; I165-I172 HydrophobicContact CB-CG1 4.12Å; I165-I172 HydrophobicContact CG2-CG1 4.17Å; I165-L190 HydrophobicContact CD1-CB 4.03Å; I165-V194 HydrophobicContact CB-CG2 4.29Å; I165-V194 HydrophobicContact CD1-CG2 3.89Å; I165-V194 HydrophobicContact CG1-CG1 4.38Å; I165-V194 HydrophobicContact CG1-CG2 3.96Å; I165-V194 WeakPolarHBondContact O-CG2 3.46Å; I165-R200 VanDerWaalsContact O-CZ 3.28Å; I165-R200 PolarHBondContact O-NH1 2.86Å; I165-R200 PolarHBondContact O-NH2 2.88Å
166T93.7Very high93.3Very high76 Ų7636.4 Ų36.447%0.46618%0.182SC..THydrogen-bonded Turntrans-65-26.7174.4-59.50000111.1L162 E168L162-T166 WeakPolarHBondContact O-CB 3.36Å; L162-T166 PolarHBondContact O-N 3.19Å; L162-T166 PolarHBondContact O-OG1 3.03Å; T166-E168 PolarHBondContact O-N 3.22Å
167Q90.2Very high93.5Very high73 Ų7334.1 Ų34.134%0.34117%0.172SC..SBendtrans-64.9126178.3-53.5-55.4-15.600111.3D31 I165 N169 C170 R200D31-Q167 HydrophobicContact CB-CB 4.45Å; D31-Q167 VanDerWaalsContact OD1-CD 3.26Å; D31-Q167 PolarHBondContact OD1-OE1 2.85Å; I165-Q167 PolarHBondContact O-N 3.28Å; Q167-N169 PolarHBondContact O-N 3.32Å; Q167-C170 HydrophobicContact CB-CB 4.26Å; Q167-C170 WeakPolarHBondContact O-CB 3.21Å; Q167-C170 PolarHBondContact O-N 3.41Å; Q167-R200 PolarHBondContact O-NH1 3.35Å
168E88.7Confident93.6Very high161 Ų16134.6 Ų34.675%0.75218%0.176SC*.THydrogen-bonded Turntrans-62.1-28.9-179.3-63.6-175.8170.400112.4T166 C170 R200T166-E168 PolarHBondContact O-N 3.22Å; E168-C170 PolarHBondContact O-N 3.23Å; E168-R200 WeakPolarHBondContact O-CD 3.44Å
169N88.9Confident93.4Very high39 Ų3933.9 Ų33.921%0.20918%0.18CC..THydrogen-bonded Turntrans-79.70.9176.1-65.5-19.5000113.4D31 P33 Q34 Q167 H289 T293D31-N169 HydrophobicContact CB-CB 4.15Å; D31-N169 WeakPolarHBondContact O-CB 3.29Å; D31-N169 PolarHBondContact O-ND2 2.8Å; P33-N169 WeakPolarHBondContact CA-O 3.3Å; Q34-N169 PolarHBondContact N-O 3.5Å; Q167-N169 PolarHBondContact O-N 3.32Å; N169-H289 VanDerWaalsContact C-NE2 3.31Å; N169-H289 PolarHBondContact O-CD2 3.47Å; N169-H289 PolarHBondContact O-NE2 3.29Å; N169-T293 HydrophobicContact CB-CG2 4.44Å; N169-T293 VanDerWaalsContact OD1-CG2 3.28Å; N169-T293 WeakPolarHBondContact OD1-CG2 3.49Å
170C92.2Very high93.1Very high0 Ų032.8 Ų32.80%017%0.172CC..EExtended strand (participates in β ladder)trans-94120.5175.3-175.70000111Q34 A36 F164 Q167 E168 R200Q34-C170 HydrophobicContact CG-CB 4.47Å; A36-C170 WeakPolarHBondContact CB-SG 3.29Å; F164-C170 WeakPolarHBondContact O-CB 3.49Å; Q167-C170 HydrophobicContact CB-CB 4.26Å; Q167-C170 WeakPolarHBondContact O-CB 3.21Å; Q167-C170 PolarHBondContact O-N 3.41Å; E168-C170 PolarHBondContact O-N 3.23Å; C170-R200 WeakPolarHBondContact O-CD 3.21Å; C170-R200 PolarHBondContact O-NH1 3.35Å
171L94.9Very high92.9Very high0 Ų037.3 Ų37.30%020%0.196CC..EExtended strand (participates in β ladder)trans-76137.3166.1-62.9-177.4000109.5Q34 I35 A36 R200 Q285 H289Q34-L171 PolarHBondContact O-N 2.87Å; I35-L171 CarbonylContact C-O 3.46Å; I35-L171 WeakPolarHBondContact CA-O 3.48Å; I35-L171 HydrophobicContact CB-CB 4.44Å; I35-L171 HydrophobicContact CG1-CB 3.8Å; I35-L171 HydrophobicContact CG1-CD1 3.95Å; I35-L171 HydrophobicContact CG1-CG 4.41Å; A36-L171 PolarHBondContact N-O 3.11Å; L171-R200 HydrophobicContact CD2-CB 3.87Å; L171-Q285 HydrophobicContact CD1-CB 4.28Å; L171-H289 HydrophobicContact CD1-CB 3.99Å; L171-H289 HydrophobicContact CD2-CB 4.43Å; L171-H289 HydrophobicContact CG-CB 4.36Å
172I96.8Very high92.6Very high0 Ų037.8 Ų37.80%020%0.199CC..EExtended strand (participates in β ladder)trans-104.2118.5-177.6-55172.3000108.8V38 I165 V194 D195 R200 T201 I202V38-I172 HydrophobicContact CB-CG2 4.49Å; V38-I172 HydrophobicContact CG2-CG2 4.27Å; I165-I172 HydrophobicContact CB-CD1 4.03Å; I165-I172 HydrophobicContact CB-CG1 4.12Å; I165-I172 HydrophobicContact CG2-CG1 4.17Å; I172-V194 HydrophobicContact CD1-CG2 3.61Å; I172-D195 HydrophobicContact CD1-CB 4.45Å; I172-R200 PolarHBondContact N-O 3.26Å; I172-T201 HydrophobicContact CB-CG2 4.36Å; I172-T201 HydrophobicContact CG2-CG2 4.41Å; I172-T201 CarbonylContact O-C 3.56Å; I172-T201 WeakPolarHBondContact O-CA 3.48Å; I172-I202 PolarHBondContact O-N 3.07Å
173L97.4Very high92.2Very high1 Ų139.9 Ų39.91%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-94.794.2169.3-168.565000109.1I35 A36 V37 V38 V175 I202 V204 L278 L282I35-L173 HydrophobicContact CG2-CB 3.83Å; A36-L173 PolarHBondContact O-N 3.49Å; V37-L173 HydrophobicContact CG1-CD2 4.28Å; V37-L173 HydrophobicContact CG2-CB 4.3Å; V37-L173 HydrophobicContact CG2-CD2 3.97Å; V38-L173 PolarHBondContact N-O 3.03Å; L173-V175 HydrophobicContact CG-CG2 4.39Å; L173-V175 PolarHBondContact O-N 3.14Å; L173-I202 HydrophobicContact CD1-CB 3.91Å; L173-I202 HydrophobicContact CD1-CG2 3.83Å; L173-V204 HydrophobicContact CD1-CG2 3.36Å; L173-V204 HydrophobicContact CD2-CG2 4.43Å; L173-V204 HydrophobicContact CG-CG2 3.92Å; L173-L278 HydrophobicContact CD1-CD1 4.44Å; L173-L282 HydrophobicContact CD1-CD1 4.38Å; L173-L282 HydrophobicContact CD1-CD2 3.76Å; L173-L282 HydrophobicContact CD2-CD1 3.89Å
174A97Very high92.1Very high0 Ų040.3 Ų40.30%023%0.227CC..EExtended strand (participates in β ladder)trans-85101.9-176.900000110.6A187 L188 T201 I202 V204A174-A187 HydrophobicContact CB-CB 4.1Å; A174-L188 HydrophobicContact CB-CD2 3.82Å; A174-L188 HydrophobicContact CB-CG 4.39Å; A174-T201 HydrophobicContact CB-CG2 4Å; A174-I202 PolarHBondContact N-O 3.1Å; A174-V204 PolarHBondContact O-N 3.47Å
175V97Very high92.2Very high0 Ų039.7 Ų39.70%023%0.226CC..EExtended strand (participates in β ladder)trans-92.3118.2-177.9-173.70000110V37 V38 G39 A43 K45 L173 V204 T206V37-V175 HydrophobicContact CG1-CG2 3.61Å; V38-V175 PolarHBondContact O-N 2.96Å; G39-V175 WeakPolarHBondContact CA-O 3.32Å; A43-V175 HydrophobicContact CB-CG1 4.24Å; K45-V175 HydrophobicContact CG-CB 4.08Å; K45-V175 HydrophobicContact CG-CG1 4.4Å; K45-V175 HydrophobicContact CG-CG2 4.18Å; L173-V175 HydrophobicContact CG-CG2 4.39Å; L173-V175 PolarHBondContact O-N 3.14Å; V175-V204 WeakPolarHBondContact CA-O 3.32Å; V175-V204 HydrophobicContact CG2-CB 4.27Å; V175-T206 HydrophobicContact CG1-CG2 3.55Å
176S95.8Very high92.1Very high3 Ų341 Ų412%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-127.9137.1179.4-54.80000110.7S185 V204 V205 T206S176-S185 WeakPolarHBondContact OG-CB 3.21Å; S176-S185 PolarHBondContact OG-OG 2.86Å; S176-V204 PolarHBondContact N-O 3.35Å; S176-V205 VanDerWaalsContact O-CA 3.32Å; S176-V205 WeakPolarHBondContact O-CA 3.44Å; S176-T206 PolarHBondContact O-N 3.27Å
177P95.7Very high92.1Very high14 Ų1437.4 Ų37.49%0.09121%0.211CC..EExtended strand (participates in β ladder)trans-79.6139.6175.229.8-27.4000111.4N179 S180 T206 K207P177-N179 VanDerWaalsContact C-N 3.31Å; P177-N179 WeakPolarHBondContact CB-OD1 3.47Å; P177-N179 PolarHBondContact O-N 2.97Å; P177-S180 WeakPolarHBondContact CG-OG 3.47Å; P177-S180 PolarHBondContact O-N 3.49Å; P177-S180 PolarHBondContact O-OG 3.38Å; P177-T206 WeakPolarHBondContact CA-OG1 3.49Å; P177-K207 HydrophobicContact CB-CB 4.45Å; P177-K207 HydrophobicContact CB-CD 3.78Å; P177-K207 HydrophobicContact CB-CG 4.22Å
178A93.7Very high92.3Very high10 Ų1034.3 Ų34.38%0.08320%0.197CC..THydrogen-bonded Turntrans-72-23.4-176.300000113.7S180 V205 T206 L208 M211 A217A178-S180 PolarHBondContact O-N 3.18Å; A178-V205 HydrophobicContact CB-CG1 3.57Å; A178-T206 WeakPolarHBondContact CB-O 3.39Å; A178-T206 PolarHBondContact N-O 2.91Å; A178-L208 HydrophobicContact CB-CD2 3.72Å; A178-L208 HydrophobicContact CB-CG 4.08Å; A178-M211 HydrophobicContact CB-CE 4.5Å; A178-M211 HydrophobicContact CB-CG 3.91Å; A178-M211 HydrophobicContact CB-SD 3.7Å; A178-A217 HydrophobicContact CB-CB 4.46Å
179N90.6Very high92.6Very high87 Ų8733.2 Ų33.247%0.46519%0.19SC..THydrogen-bonded Turntrans-82.87.1179.574.2-32.6000113.3P177 L210P177-N179 VanDerWaalsContact C-N 3.31Å; P177-N179 WeakPolarHBondContact CB-OD1 3.47Å; P177-N179 PolarHBondContact O-N 2.97Å; N179-L210 WeakPolarHBondContact CB-O 3.46Å
180S87.9Confident92.8Very high51 Ų5131.6 Ų31.636%0.35718%0.181SC..SBendtrans-121.9148.6168.4630000109.2P177 A178 L182P177-S180 WeakPolarHBondContact CG-OG 3.47Å; P177-S180 PolarHBondContact O-N 3.49Å; P177-S180 PolarHBondContact O-OG 3.38Å; A178-S180 PolarHBondContact O-N 3.18Å; S180-L182 PolarHBondContact O-N 3.49Å
181D87.2Confident92.9Very high96 Ų9631.8 Ų31.851%0.51318%0.182SC..  trans-57.7128.8173.2-176.610.1000110.8A183 N184D181-A183 PolarHBondContact O-N 2.96Å; D181-A183 PolarHBondContact OD1-N 3.23Å; D181-N184 PolarHBondContact O-N 3.17Å
182L88.3Confident92.8Very high10 Ų1035.7 Ų35.75%0.05220%0.2CC..G310 helixtrans-60.2-31.2-177.8-167.371.6000111.6S180 N184 S185 L188 I220 L225 L226 Y232S180-L182 PolarHBondContact O-N 3.49Å; L182-N184 PolarHBondContact O-N 3.08Å; L182-N184 VanDerWaalsContact O-N 3.16Å; L182-S185 WeakPolarHBondContact O-CB 3.4Å; L182-S185 PolarHBondContact O-N 3.24Å; L182-L188 HydrophobicContact CD1-CD1 3.51Å; L182-L188 HydrophobicContact CD2-CD1 4.08Å; L182-L188 HydrophobicContact CG-CD1 3.61Å; L182-I220 HydrophobicContact CB-CD1 3.9Å; L182-I220 HydrophobicContact CD1-CD1 4.38Å; L182-I220 HydrophobicContact CD1-CG2 4.28Å; L182-I220 HydrophobicContact CD2-CB 4.37Å; L182-I220 HydrophobicContact CD2-CD1 4.09Å; L182-I220 HydrophobicContact CD2-CG1 3.96Å; L182-I220 HydrophobicContact CD2-CG2 3.67Å; L182-I220 HydrophobicContact CG-CD1 4.35Å; L182-L225 HydrophobicContact CB-CD2 4.07Å; L182-L225 HydrophobicContact CD2-CD2 4.02Å; L182-L226 HydrophobicContact CD2-CB 4.25Å; L182-Y232 HydrophobicContact CD2-CE1 4.32Å
183A85.6Confident92.7Very high82 Ų8239.8 Ų39.868%0.67822%0.219SC*.G310 helixtrans-60.8-22.8177.800000113.1D181D181-A183 PolarHBondContact O-N 2.96Å; D181-A183 PolarHBondContact OD1-N 3.23Å
184N89Confident92.6Very high115 Ų11541.3 Ų41.362%0.61523%0.228SC*.G310 helixtrans-92.69.4177.1-66.7-50.5000113.4D181 L182 D186D181-N184 PolarHBondContact O-N 3.17Å; L182-N184 PolarHBondContact O-N 3.08Å; L182-N184 VanDerWaalsContact O-N 3.16Å; N184-D186 PolarHBondContact O-N 3.09Å
185S91.9Very high92.5Very high15 Ų1541.8 Ų41.811%0.10523%0.231CC..  trans-72.1110.9-179.3179.60000112S176 L182 A187 L188 K189S176-S185 WeakPolarHBondContact OG-CB 3.21Å; S176-S185 PolarHBondContact OG-OG 2.86Å; L182-S185 WeakPolarHBondContact O-CB 3.4Å; L182-S185 PolarHBondContact O-N 3.24Å; S185-A187 PolarHBondContact O-N 2.98Å; S185-A187 PolarHBondContact OG-N 2.76Å; S185-L188 PolarHBondContact O-N 3.08Å; S185-L188 PolarHBondContact OG-N 2.86Å; S185-K189 PolarHBondContact O-N 3.43Å
186D91.8Very high92.2Very high28 Ų2845.4 Ų45.415%0.1525%0.254CS..Hα-helixtrans-61.4-31.3174-58.4-44000111.5M141 K143 N184 L190M141-D186 HydrophobicContact CB-CB 4.28Å; M141-D186 HydrophobicContact CG-CB 4.3Å; K143-D186 WeakPolarHBondContact CE-OD1 3.27Å; K143-D186 WeakPolarHBondContact CE-OD2 3.27Å; K143-D186 IonicContact NZ-OD1 3.85Å; K143-D186 PolarHBondContact NZ-OD1 2.96Å; K143-D186 IonicContact NZ-OD2 2.85Å; K143-D186 PolarHBondContact NZ-OD2 3.06Å; N184-D186 PolarHBondContact O-N 3.09Å; D186-L190 WeakPolarHBondContact O-CB 3.17Å; D186-L190 VanDerWaalsContact O-CG 3.32Å; D186-L190 WeakPolarHBondContact O-CG 3.48Å; D186-L190 PolarHBondContact O-N 2.83Å
187A94Very high91.9Very high0 Ų051.6 Ų51.60%028%0.283CS..Hα-helixtrans-66-44.7178.400000112.2V38 A174 S185 L190 S191V38-A187 HydrophobicContact CG1-CB 4.12Å; A174-A187 HydrophobicContact CB-CB 4.1Å; S185-A187 PolarHBondContact O-N 2.98Å; S185-A187 PolarHBondContact OG-N 2.76Å; A187-L190 PolarHBondContact O-N 2.67Å; A187-S191 WeakPolarHBondContact O-CB 3.28Å; A187-S191 PolarHBondContact O-N 3.2Å; A187-S191 PolarHBondContact O-OG 3.04Å
188L93.9Very high91.7Very high9 Ų951.1 Ų51.15%0.04728%0.28CS..Hα-helixtrans-73-33179.1-69.2170.5000112A174 L182 S185 S191 K192 L226 L228 Y232A174-L188 HydrophobicContact CB-CD2 3.82Å; A174-L188 HydrophobicContact CB-CG 4.39Å; L182-L188 HydrophobicContact CD1-CD1 3.51Å; L182-L188 HydrophobicContact CD2-CD1 4.08Å; L182-L188 HydrophobicContact CG-CD1 3.61Å; S185-L188 PolarHBondContact O-N 3.08Å; S185-L188 PolarHBondContact OG-N 2.86Å; L188-S191 VanDerWaalsContact CA-OG 3.3Å; L188-S191 WeakPolarHBondContact CA-OG 3.32Å; L188-S191 PolarHBondContact O-N 2.75Å; L188-S191 PolarHBondContact O-OG 3.36Å; L188-K192 WeakPolarHBondContact O-CB 3.39Å; L188-K192 PolarHBondContact O-N 3.39Å; L188-L226 HydrophobicContact CD1-CD2 4.27Å; L188-L226 HydrophobicContact CD2-CD2 4.23Å; L188-L228 HydrophobicContact CD2-CD1 4.07Å; L188-Y232 HydrophobicContact CD1-CE1 4.35Å
189K94.1Very high91.6Very high137 Ų13753 Ų5360%0.59629%0.288SS*.Hα-helixtrans-60.1-52171.3-176.7-179.7176.7-177.30110.9S185 S191 K192 E193S185-K189 PolarHBondContact O-N 3.43Å; K189-S191 VanDerWaalsContact C-N 3.33Å; K189-S191 PolarHBondContact O-N 3.34Å; K189-K192 PolarHBondContact O-N 3.06Å; K189-E193 WeakPolarHBondContact O-CG 3.49Å; K189-E193 PolarHBondContact O-N 3.3Å; K189-E193 VanDerWaalsContact O-N 3.11Å
190L94Very high91.7Very high5 Ų549.9 Ų49.93%0.02627%0.27CS..Hα-helixtrans-62.5-40.5177.8-70.8173.9000111.9V38 M141 R158 I161 I165 D186 A187 E193 V194V38-L190 HydrophobicContact CG1-CD1 4.2Å; M141-L190 HydrophobicContact CG-CD1 4.02Å; M141-L190 HydrophobicContact SD-CD1 3.95Å; R158-L190 HydrophobicContact CG-CD2 3.98Å; I161-L190 HydrophobicContact CD1-CD1 4.3Å; I161-L190 HydrophobicContact CG2-CD1 4.16Å; I165-L190 HydrophobicContact CD1-CB 4.03Å; D186-L190 WeakPolarHBondContact O-CB 3.17Å; D186-L190 VanDerWaalsContact O-CG 3.32Å; D186-L190 WeakPolarHBondContact O-CG 3.48Å; D186-L190 PolarHBondContact O-N 2.83Å; A187-L190 PolarHBondContact O-N 2.67Å; L190-E193 WeakPolarHBondContact O-CB 3.33Å; L190-E193 PolarHBondContact O-N 3.36Å; L190-V194 PolarHBondContact O-N 3.02Å
191S94.5Very high92.1Very high4 Ų447.4 Ų47.43%0.02825%0.253CS..Hα-helixtrans-64.7-40.2176.871.30000111.9A187 L188 K189 E193 V194 D195A187-S191 WeakPolarHBondContact O-CB 3.28Å; A187-S191 PolarHBondContact O-N 3.2Å; A187-S191 PolarHBondContact O-OG 3.04Å; L188-S191 VanDerWaalsContact CA-OG 3.3Å; L188-S191 WeakPolarHBondContact CA-OG 3.32Å; L188-S191 PolarHBondContact O-N 2.75Å; L188-S191 PolarHBondContact O-OG 3.36Å; K189-S191 VanDerWaalsContact C-N 3.33Å; K189-S191 PolarHBondContact O-N 3.34Å; S191-E193 VanDerWaalsContact C-N 3.29Å; S191-E193 PolarHBondContact O-N 2.81Å; S191-V194 PolarHBondContact O-N 3.16Å; S191-D195 CarbonylContact O-C 3.52Å; S191-D195 VanDerWaalsContact O-CA 3.29Å; S191-D195 WeakPolarHBondContact O-CA 3.43Å; S191-D195 WeakPolarHBondContact O-CB 3.01Å; S191-D195 PolarHBondContact O-N 3.12Å
192K92.6Very high92.5Very high83 Ų8342.9 Ų42.936%0.36123%0.229SC..Hα-helixtrans-68.5-27.3178.1-164.377.2172.7179.30112.2L188 K189 P196 D751L188-K192 WeakPolarHBondContact O-CB 3.39Å; L188-K192 PolarHBondContact O-N 3.39Å; K189-K192 PolarHBondContact O-N 3.06Å; K192-P196 VanDerWaalsContact CD-O 3.29Å; K192-P196 WeakPolarHBondContact CD-O 3.49Å; K192-P196 WeakPolarHBondContact CE-O 3.48Å; K192-P196 PolarHBondContact NZ-O 3.07Å; K192-P196 VanDerWaalsContact O-CA 3.3Å; K192-P196 WeakPolarHBondContact O-CA 3.3Å; K192-D751 IonicContact NZ-OD2 3.66Å; K192-D751 PolarHBondContact NZ-OD2 2.75Å; K192-D751 VanDerWaalsContact NZ-OD2 3.08Å
193E94.4Very high92.9Very high86 Ų8642.4 Ų42.440%0.40223%0.226SC..Hα-helixtrans-64.9-38173.6-72.9175.8-163.500112.3R158 K189 L190 S191R158-E193 IonicContact CZ-OE2 2.66Å; R158-E193 IonicContact NE-OE2 2.69Å; R158-E193 IonicContact NH2-OE1 3.8Å; R158-E193 PolarHBondContact NH2-OE1 2.83Å; R158-E193 IonicContact NH2-OE2 2.79Å; R158-E193 PolarHBondContact NH2-OE2 3.29Å; K189-E193 WeakPolarHBondContact O-CG 3.49Å; K189-E193 PolarHBondContact O-N 3.3Å; K189-E193 VanDerWaalsContact O-N 3.11Å; L190-E193 WeakPolarHBondContact O-CB 3.33Å; L190-E193 PolarHBondContact O-N 3.36Å; S191-E193 VanDerWaalsContact C-N 3.29Å; S191-E193 PolarHBondContact O-N 2.81Å
194V94.8Very high93.5Very high32 Ų3238.6 Ų38.619%0.19419%0.194CC..Hα-helixtrans-107.5-13.6-175.6-58.10000114.6L162 I165 I172 L190 S191 R200L162-V194 HydrophobicContact CD2-CG1 3.75Å; I165-V194 HydrophobicContact CB-CG2 4.29Å; I165-V194 HydrophobicContact CD1-CG2 3.89Å; I165-V194 HydrophobicContact CG1-CG1 4.38Å; I165-V194 HydrophobicContact CG1-CG2 3.96Å; I165-V194 WeakPolarHBondContact O-CG2 3.46Å; I172-V194 HydrophobicContact CD1-CG2 3.61Å; L190-V194 PolarHBondContact O-N 3.02Å; S191-V194 PolarHBondContact O-N 3.16Å; V194-R200 PolarHBondContact O-NH2 3.1Å
195D94.6Very high93.8Very high11 Ų1133.2 Ų33.26%0.05917%0.166CC..  trans-14070.1177.2179.424.7000109.1I172 S191 Q197 G198 L199 R200 T201I172-D195 HydrophobicContact CD1-CB 4.45Å; S191-D195 CarbonylContact O-C 3.52Å; S191-D195 VanDerWaalsContact O-CA 3.29Å; S191-D195 WeakPolarHBondContact O-CA 3.43Å; S191-D195 WeakPolarHBondContact O-CB 3.01Å; S191-D195 PolarHBondContact O-N 3.12Å; D195-Q197 PolarHBondContact O-N 3.5Å; D195-Q197 VanDerWaalsContact O-N 3.12Å; D195-G198 PolarHBondContact O-N 3.29Å; D195-G198 PolarHBondContact OD1-N 2.89Å; D195-G198 VanDerWaalsContact OD2-CA 3.23Å; D195-G198 WeakPolarHBondContact OD2-CA 3.09Å; D195-L199 VanDerWaalsContact CG-N 3.33Å; D195-L199 PolarHBondContact OD1-N 3.34Å; D195-L199 PolarHBondContact OD2-N 2.55Å; D195-R200 HydrophobicContact CB-CG 4.07Å; D195-R200 WeakPolarHBondContact OD2-CG 3.47Å; D195-R200 PolarHBondContact OD2-N 3.31Å; D195-T201 WeakPolarHBondContact OD2-CB 3.23Å; D195-T201 PolarHBondContact OD2-N 3Å; D195-T201 PolarHBondContact OD2-OG1 3.36Å
196P92.6Very high94.1Very high76 Ų7632.5 Ų32.549%0.49416%0.161SC..THydrogen-bonded Turntrans-59.7-27.6-174.8-23.933.4000113.7K192K192-P196 VanDerWaalsContact CD-O 3.29Å; K192-P196 WeakPolarHBondContact CD-O 3.49Å; K192-P196 WeakPolarHBondContact CE-O 3.48Å; K192-P196 PolarHBondContact NZ-O 3.07Å; K192-P196 VanDerWaalsContact O-CA 3.3Å; K192-P196 WeakPolarHBondContact O-CA 3.3Å
197Q89.2Confident94.2Very high133 Ų13333.9 Ų33.962%0.62117%0.165SC*.THydrogen-bonded Turntrans-91.1-0.7178.8-70.1-179.4-10.300113.1D195 L199D195-Q197 PolarHBondContact O-N 3.5Å; D195-Q197 VanDerWaalsContact O-N 3.12Å; Q197-L199 HydrophobicContact CB-CD1 4.24Å; Q197-L199 HydrophobicContact CB-CD2 3.93Å; Q197-L199 HydrophobicContact CB-CG 3.69Å; Q197-L199 PolarHBondContact O-N 3.26Å
198G91.5Very high94.2Very high3 Ų334 Ų343%0.03117%0.166CC..  trans58.932-179.600000113.3D195 R229D195-G198 PolarHBondContact O-N 3.29Å; D195-G198 PolarHBondContact OD1-N 2.89Å; D195-G198 VanDerWaalsContact OD2-CA 3.23Å; D195-G198 WeakPolarHBondContact OD2-CA 3.09Å; G198-R229 VanDerWaalsContact O-CB 3.28Å; G198-R229 WeakPolarHBondContact O-CB 3.24Å; G198-R229 PolarHBondContact O-N 3.03Å; G198-R229 VanDerWaalsContact O-N 3.07Å
199L91.1Very high94.1Very high50 Ų5036.9 Ų36.926%0.26218%0.181SC..SBendtrans-75-33.8-174.4-59-178.8000112.5D195 Q197 R230D195-L199 VanDerWaalsContact CG-N 3.33Å; D195-L199 PolarHBondContact OD1-N 3.34Å; D195-L199 PolarHBondContact OD2-N 2.55Å; Q197-L199 HydrophobicContact CB-CD1 4.24Å; Q197-L199 HydrophobicContact CB-CD2 3.93Å; Q197-L199 HydrophobicContact CB-CG 3.69Å; Q197-L199 PolarHBondContact O-N 3.26Å; L199-R230 PolarHBondContact O-NE 3.37Å
200R93.3Very high94Very high21 Ų2135.1 Ų35.18%0.07918%0.178CC..SBendtrans-115.84.2-176.162.1-175.5178.592.40.6113.1I165 Q167 E168 C170 L171 I172 V194 D195I165-R200 VanDerWaalsContact O-CZ 3.28Å; I165-R200 PolarHBondContact O-NH1 2.86Å; I165-R200 PolarHBondContact O-NH2 2.88Å; Q167-R200 PolarHBondContact O-NH1 3.35Å; E168-R200 WeakPolarHBondContact O-CD 3.44Å; C170-R200 WeakPolarHBondContact O-CD 3.21Å; C170-R200 PolarHBondContact O-NH1 3.35Å; L171-R200 HydrophobicContact CD2-CB 3.87Å; I172-R200 PolarHBondContact N-O 3.26Å; V194-R200 PolarHBondContact O-NH2 3.1Å; D195-R200 HydrophobicContact CB-CG 4.07Å; D195-R200 WeakPolarHBondContact OD2-CG 3.47Å; D195-R200 PolarHBondContact OD2-N 3.31Å
201T95.7Very high93.9Very high0 Ų036.7 Ų36.70%019%0.186CC..EExtended strand (participates in β ladder)trans-92.8132.2176.8-54.80000111.6I172 A174 D195 L228I172-T201 HydrophobicContact CB-CG2 4.36Å; I172-T201 HydrophobicContact CG2-CG2 4.41Å; I172-T201 CarbonylContact O-C 3.56Å; I172-T201 WeakPolarHBondContact O-CA 3.48Å; A174-T201 HydrophobicContact CB-CG2 4Å; D195-T201 WeakPolarHBondContact OD2-CB 3.23Å; D195-T201 PolarHBondContact OD2-N 3Å; D195-T201 PolarHBondContact OD2-OG1 3.36Å; T201-L228 HydrophobicContact CG2-CD1 3.98Å; T201-L228 HydrophobicContact CG2-CD2 4.09Å
202I95.8Very high93.7Very high1 Ų142.7 Ų42.71%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-115.9122.1175.2-55.6172.1000107.4I172 L173 A174 R230 L282 Q285I172-I202 PolarHBondContact O-N 3.07Å; L173-I202 HydrophobicContact CD1-CB 3.91Å; L173-I202 HydrophobicContact CD1-CG2 3.83Å; A174-I202 PolarHBondContact N-O 3.1Å; I202-R230 HydrophobicContact CB-CB 4.48Å; I202-R230 HydrophobicContact CG1-CB 3.76Å; I202-R230 VanDerWaalsContact CG1-CD 3.46Å; I202-R230 HydrophobicContact CG1-CG 4.23Å; I202-L282 HydrophobicContact CD1-CD2 3.59Å; I202-Q285 HydrophobicContact CD1-CB 4.44Å; I202-Q285 HydrophobicContact CD1-CG 4.4Å
203G96.5Very high93.4Very high0 Ų048.2 Ų48.20%025%0.245CC..EExtended strand (participates in β ladder)trans-84133.7177.300000111.7G231 Y232 I233G203-G231 PolarHBondContact N-O 2.82Å; G203-Y232 CarbonylContact O-C 3.5Å; G203-Y232 VanDerWaalsContact O-CA 3.28Å; G203-Y232 WeakPolarHBondContact O-CA 3.44Å; G203-I233 PolarHBondContact O-N 2.71Å
204V97.6Very high93Very high1 Ų148.4 Ų48.41%0.00627%0.269CS..EExtended strand (participates in β ladder)trans-122.3125.9170.11750000109V48 L173 A174 V175 S176 T206 I233 V235 L278V48-V204 HydrophobicContact CG2-CG1 4.47Å; L173-V204 HydrophobicContact CD1-CG2 3.36Å; L173-V204 HydrophobicContact CD2-CG2 4.43Å; L173-V204 HydrophobicContact CG-CG2 3.92Å; A174-V204 PolarHBondContact O-N 3.47Å; V175-V204 WeakPolarHBondContact CA-O 3.32Å; V175-V204 HydrophobicContact CG2-CB 4.27Å; S176-V204 PolarHBondContact N-O 3.35Å; V204-T206 HydrophobicContact CG1-CG2 4.14Å; V204-I233 WeakPolarHBondContact CA-O 3.26Å; V204-V235 HydrophobicContact CG1-CG1 4.43Å; V204-V235 HydrophobicContact CG1-CG2 3.72Å; V204-L278 HydrophobicContact CG1-CD2 4.18Å; V204-L278 HydrophobicContact CG2-CD1 3.79Å; V204-L278 HydrophobicContact CG2-CD2 3.88Å
205V97Very high92.7Very high2 Ų250.3 Ų50.31%0.01228%0.281CS..EExtended strand (participates in β ladder)trans-108.1113.7179.9-170.60000109.2S176 A178 L208 A217 I220 L221 Y232 I233 G234 V235S176-V205 VanDerWaalsContact O-CA 3.32Å; S176-V205 WeakPolarHBondContact O-CA 3.44Å; A178-V205 HydrophobicContact CB-CG1 3.57Å; V205-L208 HydrophobicContact CG1-CD2 3.99Å; V205-L208 HydrophobicContact CG1-CG 4.28Å; V205-A217 HydrophobicContact CG1-CB 4.48Å; V205-I220 HydrophobicContact CG2-CG2 3.71Å; V205-L221 HydrophobicContact CB-CD2 4.07Å; V205-L221 HydrophobicContact CG2-CD2 3.89Å; V205-Y232 HydrophobicContact CG2-CD1 3.87Å; V205-Y232 HydrophobicContact CG2-CG 4.49Å; V205-I233 PolarHBondContact N-O 3.17Å; V205-G234 WeakPolarHBondContact O-CA 3.45Å; V205-V235 PolarHBondContact O-N 3.09Å
206T96.3Very high92.6Very high0 Ų053 Ų530%030%0.295CS..EExtended strand (participates in β ladder)trans-101.7173-179.868.50000110.7A43 V48 V175 S176 P177 A178 V204 L208 V235A43-T206 WeakPolarHBondContact O-CG2 3.33Å; A43-T206 PolarHBondContact O-OG1 3.3Å; V48-T206 HydrophobicContact CG2-CG2 4.06Å; V175-T206 HydrophobicContact CG1-CG2 3.55Å; S176-T206 PolarHBondContact O-N 3.27Å; P177-T206 WeakPolarHBondContact CA-OG1 3.49Å; A178-T206 WeakPolarHBondContact CB-O 3.39Å; A178-T206 PolarHBondContact N-O 2.91Å; V204-T206 HydrophobicContact CG1-CG2 4.14Å; T206-L208 PolarHBondContact O-N 3.4Å; T206-V235 HydrophobicContact CG2-CG2 3.77Å
207K94.7Very high92.7Very high57 Ų5749.4 Ų49.425%0.24827%0.273CS..  trans58.129.7173.8-51.7-173.5-170175.80114.7S42 P177 D209 L210S42-K207 WeakPolarHBondContact O-CE 3.43Å; S42-K207 PolarHBondContact O-NZ 3.25Å; P177-K207 HydrophobicContact CB-CB 4.45Å; P177-K207 HydrophobicContact CB-CD 3.78Å; P177-K207 HydrophobicContact CB-CG 4.22Å; K207-D209 WeakPolarHBondContact CA-OD1 3.49Å; K207-D209 PolarHBondContact O-N 2.79Å; K207-L210 HydrophobicContact CB-CB 4.34Å; K207-L210 HydrophobicContact CB-CD1 4.31Å; K207-L210 HydrophobicContact CD-CD1 4.33Å; K207-L210 HydrophobicContact CG-CD1 4.37Å; K207-L210 PolarHBondContact O-N 2.97Å; K207-L210 VanDerWaalsContact O-N 3.08Å
208L94Very high92.8Very high4 Ų448 Ų482%0.02126%0.261CS..G310 helixtrans-61.7-24.3174.8-72.2162.8000112.4A178 V205 T206 L210 M211 A217 L221 V236 F259 F260 Y266A178-L208 HydrophobicContact CB-CD2 3.72Å; A178-L208 HydrophobicContact CB-CG 4.08Å; V205-L208 HydrophobicContact CG1-CD2 3.99Å; V205-L208 HydrophobicContact CG1-CG 4.28Å; T206-L208 PolarHBondContact O-N 3.4Å; L208-L210 VanDerWaalsContact C-N 3.33Å; L208-M211 HydrophobicContact CD2-SD 4.07Å; L208-M211 WeakPolarHBondContact O-CG 3.22Å; L208-A217 HydrophobicContact CD2-CB 3.56Å; L208-L221 HydrophobicContact CD1-CD1 4.26Å; L208-L221 HydrophobicContact CD2-CD1 4.24Å; L208-V236 HydrophobicContact CB-CG2 4.44Å; L208-F259 HydrophobicContact CB-CE1 3.89Å; L208-F259 HydrophobicContact CB-CZ 3.94Å; L208-F260 HydrophobicContact CD1-CE1 3.82Å; L208-F260 HydrophobicContact CD1-CZ 3.78Å; L208-Y266 HydrophobicContact CD2-CE2 4.36Å; L208-Y266 WeakPolarHBondContact CD2-OH 3.46Å
209D92.4Very high92.8Very high68 Ų6852.9 Ų52.936%0.36428%0.284SS..G310 helixtrans-78.9-13176.260.9-52.7000113.9K207 V236 F259K207-D209 WeakPolarHBondContact CA-OD1 3.49Å; K207-D209 PolarHBondContact O-N 2.79Å; D209-V236 HydrophobicContact CB-CG1 4.04Å; D209-F259 HydrophobicContact CB-CE2 4.16Å
210L91.7Very high93Very high101 Ų10151.4 Ų51.453%0.52928%0.276SS..G310 helixtrans-109.621.7-178.7-57.4179.2000112.4N179 K207 L208N179-L210 WeakPolarHBondContact CB-O 3.46Å; K207-L210 HydrophobicContact CB-CB 4.34Å; K207-L210 HydrophobicContact CB-CD1 4.31Å; K207-L210 HydrophobicContact CD-CD1 4.33Å; K207-L210 HydrophobicContact CG-CD1 4.37Å; K207-L210 PolarHBondContact O-N 2.97Å; K207-L210 VanDerWaalsContact O-N 3.08Å; L208-L210 VanDerWaalsContact C-N 3.33Å
211M91.8Very high93Very high38 Ų3850.9 Ų50.919%0.18728%0.275CS..SBendtrans-79.7149.3175.4-63.2-170.370.500111.2A178 L208 A217A178-M211 HydrophobicContact CB-CE 4.5Å; A178-M211 HydrophobicContact CB-CG 3.91Å; A178-M211 HydrophobicContact CB-SD 3.7Å; L208-M211 HydrophobicContact CD2-SD 4.07Å; L208-M211 WeakPolarHBondContact O-CG 3.22Å; M211-A217 HydrophobicContact CE-CB 4.19Å; M211-A217 HydrophobicContact SD-CB 3.97Å
212D89.5Confident92.9Very high130 Ų13053.2 Ų53.270%0.69529%0.285SS*.PPolyproline II helixtrans-63.6142.6176.5-70.2-35000110.8G214 T215D212-G214 PolarHBondContact O-N 2.99Å; D212-T215 HydrophobicContact CB-CG2 4.28Å; D212-T215 PolarHBondContact N-OG1 3.38Å; D212-T215 PolarHBondContact O-N 2.91Å; D212-T215 PolarHBondContact O-OG1 3.23Å
213Q86.6Confident92.7Very high199 Ų19955 Ų5593%0.9330%0.295SS*.THydrogen-bonded Turntrans-58.1128.5179.4-69.2-177.63.200110.9
214G86Confident92.5Very high89 Ų8960.9 Ų60.992%0.91832%0.317SS*.THydrogen-bonded Turntrans90.8-5.2-17700000114.6D212D212-G214 PolarHBondContact O-N 2.99Å
215T89.5Confident92Very high73 Ų7364.2 Ų64.245%0.44834%0.335SS..  trans-102.2153170.368.40000110.9D212D212-T215 HydrophobicContact CB-CG2 4.28Å; D212-T215 PolarHBondContact N-OG1 3.38Å; D212-T215 PolarHBondContact O-N 2.91Å; D212-T215 PolarHBondContact O-OG1 3.23Å
216D91.9Very high91.6Very high66 Ų6667.2 Ų67.235%0.35335%0.35SS..  trans-148.6159.3170.769.251000111.5R218 S265 Y266D216-R218 VanDerWaalsContact C-N 3.31Å; D216-R218 WeakPolarHBondContact OD1-CB 3.35Å; D216-R218 PolarHBondContact OD1-N 2.96Å; D216-S265 WeakPolarHBondContact OD2-CB 3.1Å; D216-S265 PolarHBondContact OD2-OG 3.36Å; D216-Y266 HydrophobicContact CB-CE1 4.3Å
217A93.7Very high91.4Very high2 Ų268 Ų682%0.01736%0.355CS..  trans-91.523.617500000113.2A178 V205 L208 M211 E219 I220 L221 Y266A178-A217 HydrophobicContact CB-CB 4.46Å; V205-A217 HydrophobicContact CG1-CB 4.48Å; L208-A217 HydrophobicContact CD2-CB 3.56Å; M211-A217 HydrophobicContact CE-CB 4.19Å; M211-A217 HydrophobicContact SD-CB 3.97Å; A217-E219 VanDerWaalsContact C-N 3.35Å; A217-E219 PolarHBondContact O-N 3.08Å; A217-I220 HydrophobicContact CB-CB 4.47Å; A217-I220 HydrophobicContact CB-CD1 4.16Å; A217-I220 WeakPolarHBondContact O-CB 3.34Å; A217-I220 PolarHBondContact O-N 3.17Å; A217-I220 VanDerWaalsContact O-N 3.14Å; A217-L221 WeakPolarHBondContact O-CG 3.32Å; A217-L221 PolarHBondContact O-N 2.98Å; A217-Y266 PolarHBondContact N-OH 3.28Å
218R92.8Very high91.3Very high102 Ų10265.6 Ų65.639%0.38535%0.345SS..Hα-helixtrans-60.5-42.9-171.4179.7-179.1172.9-175.91.1112.2D216 I220 L221 E222 Y266 M269D216-R218 VanDerWaalsContact C-N 3.31Å; D216-R218 WeakPolarHBondContact OD1-CB 3.35Å; D216-R218 PolarHBondContact OD1-N 2.96Å; R218-I220 PolarHBondContact O-N 3.42Å; R218-L221 PolarHBondContact O-N 2.84Å; R218-E222 HydrophobicContact CG-CG 4.21Å; R218-E222 VanDerWaalsContact CG-OE2 3.27Å; R218-E222 WeakPolarHBondContact CG-OE2 3.4Å; R218-E222 IonicContact CZ-OE1 2.69Å; R218-E222 IonicContact CZ-OE2 2.76Å; R218-E222 IonicContact NE-OE1 3.15Å; R218-E222 PolarHBondContact NE-OE1 3.48Å; R218-E222 VanDerWaalsContact NE-OE1 3.07Å; R218-E222 IonicContact NE-OE2 3.45Å; R218-E222 PolarHBondContact NE-OE2 3.29Å; R218-E222 IonicContact NH2-OE1 3.04Å; R218-E222 PolarHBondContact NH2-OE1 3.34Å; R218-E222 IonicContact NH2-OE2 3.8Å; R218-E222 VanDerWaalsContact O-CB 3.31Å; R218-E222 WeakPolarHBondContact O-CB 3.47Å; R218-E222 WeakPolarHBondContact O-CG 3.38Å; R218-E222 PolarHBondContact O-N 3.33Å; R218-Y266 HydrophobicContact CB-CE1 4.44Å; R218-M269 HydrophobicContact CG-CE 4.18Å
219E91.8Very high91.1Very high107 Ų10768.2 Ų68.250%0.536%0.355SS..Hα-helixtrans-64.8-29.4179.5-59-166.7153.900113.1A217 N223 R224 L225A217-E219 VanDerWaalsContact C-N 3.35Å; A217-E219 PolarHBondContact O-N 3.08Å; E219-N223 PolarHBondContact O-N 3.06Å; E219-R224 PolarHBondContact O-N 3.39Å; E219-L225 HydrophobicContact CB-CB 4.44Å; E219-L225 PolarHBondContact O-N 2.91Å
220I93.3Very high91.1Very high18 Ų1866.7 Ų66.79%0.09234%0.344CS..Hα-helixtrans-72.6-52.4175.5-54.1175000109.3L182 V205 A217 R218 E222 N223 L225 Y232L182-I220 HydrophobicContact CB-CD1 3.9Å; L182-I220 HydrophobicContact CD1-CD1 4.38Å; L182-I220 HydrophobicContact CD1-CG2 4.28Å; L182-I220 HydrophobicContact CD2-CB 4.37Å; L182-I220 HydrophobicContact CD2-CD1 4.09Å; L182-I220 HydrophobicContact CD2-CG1 3.96Å; L182-I220 HydrophobicContact CD2-CG2 3.67Å; L182-I220 HydrophobicContact CG-CD1 4.35Å; V205-I220 HydrophobicContact CG2-CG2 3.71Å; A217-I220 HydrophobicContact CB-CB 4.47Å; A217-I220 HydrophobicContact CB-CD1 4.16Å; A217-I220 WeakPolarHBondContact O-CB 3.34Å; A217-I220 PolarHBondContact O-N 3.17Å; A217-I220 VanDerWaalsContact O-N 3.14Å; R218-I220 PolarHBondContact O-N 3.42Å; I220-E222 VanDerWaalsContact C-N 3.29Å; I220-E222 PolarHBondContact O-N 2.93Å; I220-N223 WeakPolarHBondContact O-CA 3.43Å; I220-N223 PolarHBondContact O-N 3.36Å; I220-L225 HydrophobicContact CD1-CD2 4.32Å; I220-L225 HydrophobicContact CG1-CB 4.39Å; I220-L225 HydrophobicContact CG1-CD2 3.81Å; I220-Y232 HydrophobicContact CG2-CD1 3.75Å; I220-Y232 HydrophobicContact CG2-CD2 4.38Å; I220-Y232 HydrophobicContact CG2-CE1 4.01Å; I220-Y232 HydrophobicContact CG2-CG 3.96Å; I220-Y232 WeakPolarHBondContact O-CD2 3.45Å
221L94.4Very high91.2Very high11 Ų1162.5 Ų62.56%0.05833%0.326CS..Hα-helixtrans-67.6-28-178-64.3-179.7000113.1V205 L208 A217 R218 N223 Y266 M269 M273V205-L221 HydrophobicContact CB-CD2 4.07Å; V205-L221 HydrophobicContact CG2-CD2 3.89Å; L208-L221 HydrophobicContact CD1-CD1 4.26Å; L208-L221 HydrophobicContact CD2-CD1 4.24Å; A217-L221 WeakPolarHBondContact O-CG 3.32Å; A217-L221 PolarHBondContact O-N 2.98Å; R218-L221 PolarHBondContact O-N 2.84Å; L221-N223 PolarHBondContact O-N 2.86Å; L221-Y266 HydrophobicContact CD1-CD1 3.87Å; L221-Y266 HydrophobicContact CD1-CE1 3.74Å; L221-M269 HydrophobicContact CB-SD 3.64Å; L221-M269 HydrophobicContact CD1-SD 4.16Å; L221-M273 HydrophobicContact CB-CE 4.13Å; L221-M273 HydrophobicContact CD1-SD 4.16Å; L221-M273 HydrophobicContact CD2-CE 4.38Å; L221-M273 HydrophobicContact CD2-SD 4.01Å; L221-M273 HydrophobicContact CG-SD 4.49Å
222E93.5Very high91.4Very high48 Ų4861.2 Ų61.222%0.22432%0.319CS..THydrogen-bonded Turntrans-81.44.8171-67.7176.815200112.8R218 I220 R224 H268 M269R218-E222 HydrophobicContact CG-CG 4.21Å; R218-E222 VanDerWaalsContact CG-OE2 3.27Å; R218-E222 WeakPolarHBondContact CG-OE2 3.4Å; R218-E222 IonicContact CZ-OE1 2.69Å; R218-E222 IonicContact CZ-OE2 2.76Å; R218-E222 IonicContact NE-OE1 3.15Å; R218-E222 PolarHBondContact NE-OE1 3.48Å; R218-E222 VanDerWaalsContact NE-OE1 3.07Å; R218-E222 IonicContact NE-OE2 3.45Å; R218-E222 PolarHBondContact NE-OE2 3.29Å; R218-E222 IonicContact NH2-OE1 3.04Å; R218-E222 PolarHBondContact NH2-OE1 3.34Å; R218-E222 IonicContact NH2-OE2 3.8Å; R218-E222 VanDerWaalsContact O-CB 3.31Å; R218-E222 WeakPolarHBondContact O-CB 3.47Å; R218-E222 WeakPolarHBondContact O-CG 3.38Å; R218-E222 PolarHBondContact O-N 3.33Å; I220-E222 VanDerWaalsContact C-N 3.29Å; I220-E222 PolarHBondContact O-N 2.93Å; E222-R224 VanDerWaalsContact C-N 3.29Å; E222-R224 PolarHBondContact O-N 3.27Å; E222-R224 IonicContact OE2-CZ 2.89Å; E222-R224 IonicContact OE2-NH1 2.82Å; E222-R224 PolarHBondContact OE2-NH1 3.21Å; E222-R224 IonicContact OE2-NH2 2.83Å; E222-R224 PolarHBondContact OE2-NH2 3.4Å; E222-H268 IonicContact OE1-CD2 3.42Å; E222-H268 IonicContact OE1-CE1 3.57Å; E222-H268 PolarHBondContact OE1-CE1 2.88Å; E222-H268 IonicContact OE1-NE2 2.98Å; E222-H268 PolarHBondContact OE1-NE2 3.1Å; E222-M269 HydrophobicContact CG-CE 3.48Å; E222-M269 VanDerWaalsContact CG-CE 3.48Å
223N92.6Very high91.8Very high40 Ų4055.3 Ų55.321%0.21429%0.287CS..THydrogen-bonded Turntrans60.133.5176.2-159.547.3000113.7E219 I220 L221 P227 L228 Y232E219-N223 PolarHBondContact O-N 3.06Å; I220-N223 WeakPolarHBondContact O-CA 3.43Å; I220-N223 PolarHBondContact O-N 3.36Å; L221-N223 PolarHBondContact O-N 2.86Å; N223-P227 WeakPolarHBondContact O-CB 3.47Å; N223-P227 WeakPolarHBondContact OD1-CA 3.41Å; N223-L228 PolarHBondContact ND2-O 2.85Å; N223-L228 PolarHBondContact OD1-N 3.18Å; N223-L228 PolarHBondContact OD1-O 3.39Å; N223-Y232 HydrophobicContact CB-CD2 4.47Å; N223-Y232 VanDerWaalsContact OD1-CD2 3.3Å; N223-Y232 WeakPolarHBondContact OD1-CD2 3.23Å; N223-Y232 VanDerWaalsContact OD1-CE2 3.29Å; N223-Y232 WeakPolarHBondContact OD1-CE2 3.4Å
224R90.4Very high92.3Very high122 Ų12245.9 Ų45.946%0.4624%0.243SC..  trans-95.7-38.9179.7-71.4-159.9-64.8-83.9-5.7113.7E219 E222E219-R224 PolarHBondContact O-N 3.39Å; E222-R224 VanDerWaalsContact C-N 3.29Å; E222-R224 PolarHBondContact O-N 3.27Å; E222-R224 IonicContact OE2-CZ 2.89Å; E222-R224 IonicContact OE2-NH1 2.82Å; E222-R224 PolarHBondContact OE2-NH1 3.21Å; E222-R224 IonicContact OE2-NH2 2.83Å; E222-R224 PolarHBondContact OE2-NH2 3.4Å
225L87.4Confident92.8Very high71 Ų7141.6 Ų41.637%0.37220%0.199SC..SBendtrans-69.5-56.6-171.7-175.367.8000113L182 E219 I220 W753L182-L225 HydrophobicContact CB-CD2 4.07Å; L182-L225 HydrophobicContact CD2-CD2 4.02Å; E219-L225 HydrophobicContact CB-CB 4.44Å; E219-L225 PolarHBondContact O-N 2.91Å; I220-L225 HydrophobicContact CD1-CD2 4.32Å; I220-L225 HydrophobicContact CG1-CB 4.39Å; I220-L225 HydrophobicContact CG1-CD2 3.81Å; L225-W753 WeakPolarHBondContact O-CH2 3.41Å; L225-W753 WeakPolarHBondContact O-CZ2 3.11Å
226L89Confident93.1Very high66 Ų6639 Ų3935%0.34618%0.183SC..SBendtrans-131.486.3174.1-172.8123.1000108.4L182 L188 L228 Y232L182-L226 HydrophobicContact CD2-CB 4.25Å; L188-L226 HydrophobicContact CD1-CD2 4.27Å; L188-L226 HydrophobicContact CD2-CD2 4.23Å; L226-L228 HydrophobicContact CD2-CD2 4.25Å; L226-L228 PolarHBondContact O-N 2.91Å; L226-Y232 WeakPolarHBondContact CD2-OH 3.35Å; L226-Y232 WeakPolarHBondContact O-CE2 3.48Å; L226-Y232 PolarHBondContact O-OH 3.13Å
227P91.4Very high93.1Very high16 Ų1636.9 Ų36.910%0.10417%0.171CC..  trans-65.6131.5-167.6-21.431.7000113.4N223 V749 W753N223-P227 WeakPolarHBondContact O-CB 3.47Å; N223-P227 WeakPolarHBondContact OD1-CA 3.41Å; P227-V749 HydrophobicContact CB-CB 4.09Å; P227-V749 HydrophobicContact CB-CG1 3.29Å; P227-V749 HydrophobicContact CB-CG2 4.33Å; P227-V749 HydrophobicContact CG-CG1 4.09Å; P227-W753 HydrophobicContact CG-CZ2 4.31Å
228L93.3Very high93Very high6 Ų637.7 Ų37.73%0.03117%0.174CC..  trans-112.4144.9170.8-61.9176.3000109.4L188 T201 N223 L226 R230 G231 Y232L188-L228 HydrophobicContact CD2-CD1 4.07Å; T201-L228 HydrophobicContact CG2-CD1 3.98Å; T201-L228 HydrophobicContact CG2-CD2 4.09Å; N223-L228 PolarHBondContact ND2-O 2.85Å; N223-L228 PolarHBondContact OD1-N 3.18Å; N223-L228 PolarHBondContact OD1-O 3.39Å; L226-L228 HydrophobicContact CD2-CD2 4.25Å; L226-L228 PolarHBondContact O-N 2.91Å; L228-R230 PolarHBondContact O-N 2.86Å; L228-G231 PolarHBondContact O-N 3.15Å; L228-Y232 HydrophobicContact CB-CE2 4.3Å; L228-Y232 HydrophobicContact CD1-CE1 3.88Å; L228-Y232 HydrophobicContact CD1-CE2 3.86Å; L228-Y232 VanDerWaalsContact CD1-CZ 3.5Å; L228-Y232 HydrophobicContact CG-CE2 3.83Å
229R89.7Confident92.8Very high59 Ų5935 Ų3522%0.22317%0.171CC..THydrogen-bonded Turntrans-62-29.7-179.9-170.6175.5177.3-167.6-2.5113.1G198 I745 P746 V749G198-R229 VanDerWaalsContact O-CB 3.28Å; G198-R229 WeakPolarHBondContact O-CB 3.24Å; G198-R229 PolarHBondContact O-N 3.03Å; G198-R229 VanDerWaalsContact O-N 3.07Å; R229-I745 HydrophobicContact CG-CG2 4.4Å; R229-P746 PolarHBondContact NE-O 2.96Å; R229-P746 PolarHBondContact NH2-O 2.66Å; R229-V749 HydrophobicContact CB-CG2 4.4Å
230R92.4Very high92.5Very high36 Ų3635 Ų3514%0.13617%0.171CC..THydrogen-bonded Turntrans-97.61.6178.2-56.2174.8-177.9-95.24.8112.9L199 I202 L228 Q285L199-R230 PolarHBondContact O-NE 3.37Å; I202-R230 HydrophobicContact CB-CB 4.48Å; I202-R230 HydrophobicContact CG1-CB 3.76Å; I202-R230 VanDerWaalsContact CG1-CD 3.46Å; I202-R230 HydrophobicContact CG1-CG 4.23Å; L228-R230 PolarHBondContact O-N 2.86Å; R230-Q285 VanDerWaalsContact NH1-CD 3.27Å
231G93.7Very high92.2Very high14 Ų1444.1 Ų44.114%0.14420%0.204CC..  trans68.5-167.1176.400000114.7G203 L228G203-G231 PolarHBondContact N-O 2.82Å; L228-G231 PolarHBondContact O-N 3.15Å
232Y96.3Very high92Very high11 Ų1145.6 Ų45.64%0.04321%0.212CC..EExtended strand (participates in β ladder)trans-118.7143178.6-68.5-96.1000110.8L182 L188 G203 V205 I220 N223 L226 L228L182-Y232 HydrophobicContact CD2-CE1 4.32Å; L188-Y232 HydrophobicContact CD1-CE1 4.35Å; G203-Y232 CarbonylContact O-C 3.5Å; G203-Y232 VanDerWaalsContact O-CA 3.28Å; G203-Y232 WeakPolarHBondContact O-CA 3.44Å; V205-Y232 HydrophobicContact CG2-CD1 3.87Å; V205-Y232 HydrophobicContact CG2-CG 4.49Å; I220-Y232 HydrophobicContact CG2-CD1 3.75Å; I220-Y232 HydrophobicContact CG2-CD2 4.38Å; I220-Y232 HydrophobicContact CG2-CE1 4.01Å; I220-Y232 HydrophobicContact CG2-CG 3.96Å; I220-Y232 WeakPolarHBondContact O-CD2 3.45Å; N223-Y232 HydrophobicContact CB-CD2 4.47Å; N223-Y232 VanDerWaalsContact OD1-CD2 3.3Å; N223-Y232 WeakPolarHBondContact OD1-CD2 3.23Å; N223-Y232 VanDerWaalsContact OD1-CE2 3.29Å; N223-Y232 WeakPolarHBondContact OD1-CE2 3.4Å; L226-Y232 WeakPolarHBondContact CD2-OH 3.35Å; L226-Y232 WeakPolarHBondContact O-CE2 3.48Å; L226-Y232 PolarHBondContact O-OH 3.13Å; L228-Y232 HydrophobicContact CB-CE2 4.3Å; L228-Y232 HydrophobicContact CD1-CE1 3.88Å; L228-Y232 HydrophobicContact CD1-CE2 3.86Å; L228-Y232 VanDerWaalsContact CD1-CZ 3.5Å; L228-Y232 HydrophobicContact CG-CE2 3.83Å
233I97.3Very high91.6Very high6 Ų644.3 Ų44.33%0.03121%0.206CC..EExtended strand (participates in β ladder)trans-124.3122.1174.7-58173.2000108.5G203 V204 V205 F277 L278 T281G203-I233 PolarHBondContact O-N 2.71Å; V204-I233 WeakPolarHBondContact CA-O 3.26Å; V205-I233 PolarHBondContact N-O 3.17Å; I233-F277 HydrophobicContact CD1-CD1 3.94Å; I233-F277 HydrophobicContact CD1-CE1 3.8Å; I233-F277 HydrophobicContact CG1-CD1 4.23Å; I233-F277 HydrophobicContact CG1-CE1 4.06Å; I233-F277 HydrophobicContact CG2-CD1 4.03Å; I233-L278 HydrophobicContact CB-CD1 4.16Å; I233-L278 HydrophobicContact CD1-CD1 3.73Å; I233-L278 HydrophobicContact CG1-CD1 4.49Å; I233-L278 HydrophobicContact CG2-CB 3.96Å; I233-L278 HydrophobicContact CG2-CD1 4.3Å; I233-T281 HydrophobicContact CD1-CG2 3.99Å
234G97.1Very high91.2Very high0 Ų049 Ų490%023%0.227CC..EExtended strand (participates in β ladder)trans-81.4137.1175.300000111.3V205 F260 M273 G274V205-G234 WeakPolarHBondContact O-CA 3.45Å; G234-F260 WeakPolarHBondContact O-CZ 3.49Å; G234-M273 PolarHBondContact N-SD 2.79Å; G234-G274 WeakPolarHBondContact O-CA 3.21Å; G234-G274 PolarHBondContact O-N 2.86Å
235V97Very high91Very high0 Ų046 Ų460%024%0.235CC..  trans-134.7146175.6-61.10000111V48 V204 V205 T206 E256 L278V48-V235 HydrophobicContact CG2-CG2 3.98Å; V204-V235 HydrophobicContact CG1-CG1 4.43Å; V204-V235 HydrophobicContact CG1-CG2 3.72Å; V205-V235 PolarHBondContact O-N 3.09Å; T206-V235 HydrophobicContact CG2-CG2 3.77Å; V235-E256 WeakPolarHBondContact CA-OE1 3.48Å; V235-L278 HydrophobicContact CG1-CB 4.32Å; V235-L278 HydrophobicContact CG1-CD2 3.75Å
236V95.6Very high90.9Very high18 Ų1852.2 Ų52.211%0.10925%0.253CS..  trans-116.8105.3175.8-177.50000108.4L208 D209 E256 F259 F260L208-V236 HydrophobicContact CB-CG2 4.44Å; D209-V236 HydrophobicContact CB-CG1 4.04Å; V236-E256 HydrophobicContact CB-CB 4.21Å; V236-E256 HydrophobicContact CB-CG 3.98Å; V236-E256 HydrophobicContact CG2-CG 4.42Å; V236-E256 PolarHBondContact N-OE1 2.69Å; V236-F259 HydrophobicContact CG2-CD1 3.52Å; V236-F259 HydrophobicContact CG2-CE1 3.8Å; V236-F259 HydrophobicContact CG2-CG 4.04Å; V236-F260 HydrophobicContact CG2-CE2 4.13Å; V236-F260 HydrophobicContact CG2-CZ 4.16Å
237N93.3Very high90.8Very high21 Ų2152 Ų5211%0.11225%0.25CC..PPolyproline II helixtrans-83.1164.5-178.6-64-27.7000111.2N51 S239N51-N237 PolarHBondContact ND2-OD1 3.38Å; N237-S239 PolarHBondContact O-N 3.41Å
238R91.4Very high90.6Very high20 Ų2055.7 Ų55.78%0.07527%0.268CS..PPolyproline II helixtrans-61.8133.9170.4-71.6-178.4-72.8150.99110D56 D242 I243 A252D56-R238 VanDerWaalsContact CG-NH2 3.32Å; D56-R238 IonicContact OD1-CZ 3.04Å; D56-R238 IonicContact OD1-NH1 3.4Å; D56-R238 PolarHBondContact OD1-NH1 3.4Å; D56-R238 IonicContact OD1-NH2 3.04Å; D56-R238 PolarHBondContact OD1-NH2 2.93Å; D56-R238 IonicContact OD2-CZ 3.47Å; D56-R238 IonicContact OD2-NH1 3.15Å; D56-R238 PolarHBondContact OD2-NH1 3.27Å; D56-R238 IonicContact OD2-NH2 3.07Å; D56-R238 PolarHBondContact OD2-NH2 3.38Å; R238-D242 HydrophobicContact CB-CB 3.96Å; R238-D242 HydrophobicContact CG-CB 4.36Å; R238-I243 HydrophobicContact CB-CD1 4.43Å; R238-I243 HydrophobicContact CB-CG1 3.97Å; R238-A252 HydrophobicContact CG-CB 3.47Å; R238-A252 VanDerWaalsContact CG-CB 3.47Å
239S87.6Confident90.3Very high45 Ų4556.6 Ų56.632%0.31527%0.273SS..PPolyproline II helixtrans-70161.5172.265.70000111.1N237 R241 D242 I243N237-S239 PolarHBondContact O-N 3.41Å; S239-R241 PolarHBondContact O-N 3.09Å; S239-D242 PolarHBondContact N-OD2 2.9Å; S239-D242 VanDerWaalsContact N-OD2 3.11Å; S239-D242 WeakPolarHBondContact O-CA 3.21Å; S239-D242 WeakPolarHBondContact O-CB 3.35Å; S239-D242 PolarHBondContact O-N 3.28Å; S239-D242 PolarHBondContact OG-N 3.39Å; S239-D242 VanDerWaalsContact OG-N 3.14Å; S239-D242 PolarHBondContact OG-OD2 2.74Å; S239-I243 WeakPolarHBondContact O-CD1 3.08Å; S239-I243 WeakPolarHBondContact O-CG1 3.25Å; S239-I243 PolarHBondContact O-N 3.46Å
240Q85.4Confident90.2Very high106 Ų10660.6 Ų60.650%0.49529%0.292SS..Hα-helixtrans-55.3-37.1175.2-175.159.627.200111.9I243 E244Q240-I243 PolarHBondContact O-N 2.88Å; Q240-E244 WeakPolarHBondContact CG-OE1 3.39Å; Q240-E244 PolarHBondContact NE2-OE1 2.89Å; Q240-E244 VanDerWaalsContact NE2-OE1 3.1Å; Q240-E244 WeakPolarHBondContact O-CG 3.25Å; Q240-E244 PolarHBondContact O-N 3.2Å
241R87.8Confident90.1Very high211 Ų21161.1 Ų61.180%0.79630%0.304SS*.Hα-helixtrans-66.1-39.1174.2-171.8177.7-175.21642.6112.9S239 I243 G245S239-R241 PolarHBondContact O-N 3.09Å; R241-I243 VanDerWaalsContact C-N 3.29Å; R241-G245 PolarHBondContact O-N 2.83Å
242D89Confident90Very high41 Ų4160.9 Ų60.922%0.21930%0.3CS..Hα-helixtrans-64.4-37.3174.9-70.7-39.6000111.3R238 S239 G245 R246 K247R238-D242 HydrophobicContact CB-CB 3.96Å; R238-D242 HydrophobicContact CG-CB 4.36Å; S239-D242 PolarHBondContact N-OD2 2.9Å; S239-D242 VanDerWaalsContact N-OD2 3.11Å; S239-D242 WeakPolarHBondContact O-CA 3.21Å; S239-D242 WeakPolarHBondContact O-CB 3.35Å; S239-D242 PolarHBondContact O-N 3.28Å; S239-D242 PolarHBondContact OG-N 3.39Å; S239-D242 VanDerWaalsContact OG-N 3.14Å; S239-D242 PolarHBondContact OG-OD2 2.74Å; D242-G245 CarbonylContact O-C 3.59Å; D242-R246 PolarHBondContact O-N 3.36Å; D242-R246 VanDerWaalsContact O-N 3.17Å; D242-K247 HydrophobicContact CB-CB 3.91Å; D242-K247 HydrophobicContact CB-CD 3.66Å; D242-K247 HydrophobicContact CB-CG 4.49Å; D242-K247 VanDerWaalsContact CG-NZ 3.28Å; D242-K247 VanDerWaalsContact O-CB 3.27Å; D242-K247 WeakPolarHBondContact O-CB 3.34Å; D242-K247 PolarHBondContact O-N 3.31Å; D242-K247 WeakPolarHBondContact OD1-CD 3.41Å; D242-K247 IonicContact OD1-NZ 3.85Å; D242-K247 PolarHBondContact OD1-NZ 2.91Å; D242-K247 IonicContact OD2-NZ 2.66Å; D242-K247 PolarHBondContact OD2-NZ 2.82Å; D242-K247 VanDerWaalsContact OD2-NZ 3.15Å
243I85.1Confident89.8Confident21 Ų2162.8 Ų62.811%0.10831%0.311CS..Hα-helixtrans-70-48.5179.1-65.3153.5000110.7R60 R238 S239 Q240 R241 G245 R246R60-I243 VanDerWaalsContact NH2-CD1 3.33Å; R238-I243 HydrophobicContact CB-CD1 4.43Å; R238-I243 HydrophobicContact CB-CG1 3.97Å; S239-I243 WeakPolarHBondContact O-CD1 3.08Å; S239-I243 WeakPolarHBondContact O-CG1 3.25Å; S239-I243 PolarHBondContact O-N 3.46Å; Q240-I243 PolarHBondContact O-N 2.88Å; R241-I243 VanDerWaalsContact C-N 3.29Å; I243-G245 VanDerWaalsContact C-N 3.25Å; I243-G245 PolarHBondContact O-N 3.35Å; I243-R246 WeakPolarHBondContact O-CA 3.37Å; I243-R246 PolarHBondContact O-N 3.15Å
244E85.2Confident89.6Confident138 Ų13865.4 Ų65.465%0.64533%0.334SS*.Hα-helixtrans-59.3-38.9174.6-74.1166.8-16600111.7Q240 R246Q240-E244 WeakPolarHBondContact CG-OE1 3.39Å; Q240-E244 PolarHBondContact NE2-OE1 2.89Å; Q240-E244 VanDerWaalsContact NE2-OE1 3.1Å; Q240-E244 WeakPolarHBondContact O-CG 3.25Å; Q240-E244 PolarHBondContact O-N 3.2Å; E244-R246 PolarHBondContact O-N 2.85Å
245G86.9Confident89.4Confident61 Ų6167.4 Ų67.463%0.62935%0.35SS*.THydrogen-bonded Turntrans-75.23.1173.100000115R241 D242 I243 K247R241-G245 PolarHBondContact O-N 2.83Å; D242-G245 CarbonylContact O-C 3.59Å; I243-G245 VanDerWaalsContact C-N 3.25Å; I243-G245 PolarHBondContact O-N 3.35Å; G245-K247 PolarHBondContact O-N 2.98Å
246R84.2Confident89.3Confident201 Ų20167.6 Ų67.676%0.75835%0.351SS*.THydrogen-bonded Turntrans47.341.9-176.2-66.1-175.3170.3-171.7-7.1113.2D242 I243 E244 D248D242-R246 PolarHBondContact O-N 3.36Å; D242-R246 VanDerWaalsContact O-N 3.17Å; I243-R246 WeakPolarHBondContact O-CA 3.37Å; I243-R246 PolarHBondContact O-N 3.15Å; E244-R246 PolarHBondContact O-N 2.85Å; R246-D248 PolarHBondContact O-N 3.29Å
247K87.5Confident89.3Confident62 Ų6271.8 Ų71.827%0.2737%0.365SS..  trans-56.8124.6176-177.4177.3-175.7177.20109.7D242 G245 A251D242-K247 HydrophobicContact CB-CB 3.91Å; D242-K247 HydrophobicContact CB-CD 3.66Å; D242-K247 HydrophobicContact CB-CG 4.49Å; D242-K247 VanDerWaalsContact CG-NZ 3.28Å; D242-K247 VanDerWaalsContact O-CB 3.27Å; D242-K247 WeakPolarHBondContact O-CB 3.34Å; D242-K247 PolarHBondContact O-N 3.31Å; D242-K247 WeakPolarHBondContact OD1-CD 3.41Å; D242-K247 IonicContact OD1-NZ 3.85Å; D242-K247 PolarHBondContact OD1-NZ 2.91Å; D242-K247 IonicContact OD2-NZ 2.66Å; D242-K247 PolarHBondContact OD2-NZ 2.82Å; D242-K247 VanDerWaalsContact OD2-NZ 3.15Å; G245-K247 PolarHBondContact O-N 2.98Å; K247-A251 HydrophobicContact CG-CB 4.42Å
248D87Confident89.4Confident93 Ų9378.1 Ų78.150%0.49739%0.391SS..  trans-55.8138.2178179.825.2000111.1R246 K250 A251 A252R246-D248 PolarHBondContact O-N 3.29Å; D248-K250 VanDerWaalsContact C-N 3.27Å; D248-K250 PolarHBondContact O-N 3.06Å; D248-K250 PolarHBondContact OD1-N 3.43Å; D248-K250 WeakPolarHBondContact OD2-CB 3.26Å; D248-A251 HydrophobicContact CB-CB 4.23Å; D248-A251 WeakPolarHBondContact O-CB 3.34Å; D248-A251 PolarHBondContact O-N 3.09Å; D248-A251 VanDerWaalsContact O-N 3.12Å; D248-A252 PolarHBondContact O-N 3.18Å
249I86.4Confident89.6Confident24 Ų2478.9 Ų78.912%0.12340%0.396CS..Hα-helixtrans-62.6-36.6-179.1-165.178.4000111.3N51 A251 A252 L253N51-I249 WeakPolarHBondContact OD1-CD1 3.36Å; I249-A251 VanDerWaalsContact C-N 3.27Å; I249-A251 PolarHBondContact O-N 2.91Å; I249-A252 WeakPolarHBondContact O-CA 3.45Å; I249-A252 WeakPolarHBondContact O-CB 3.5Å; I249-A252 PolarHBondContact O-N 3.03Å; I249-L253 HydrophobicContact CG1-CG 4.49Å; I249-L253 WeakPolarHBondContact O-CG 3.47Å; I249-L253 PolarHBondContact O-N 3.31Å
250K87.9Confident90Very high144 Ų14476.9 Ų76.963%0.62638%0.381SS*.Hα-helixtrans-63.6-38.4177.1-63.8-177.2178.4179.10110.9D248 A252 A254D248-K250 VanDerWaalsContact C-N 3.27Å; D248-K250 PolarHBondContact O-N 3.06Å; D248-K250 PolarHBondContact OD1-N 3.43Å; D248-K250 WeakPolarHBondContact OD2-CB 3.26Å; K250-A252 VanDerWaalsContact C-N 3.34Å; K250-A254 WeakPolarHBondContact O-CB 3.31Å; K250-A254 PolarHBondContact O-N 2.79Å
251A91.4Very high90.5Very high46 Ų4674.9 Ų74.938%0.3837%0.374SS..Hα-helixtrans-66.7-35.5173.200000112K247 D248 I249 A255K247-A251 HydrophobicContact CG-CB 4.42Å; D248-A251 HydrophobicContact CB-CB 4.23Å; D248-A251 WeakPolarHBondContact O-CB 3.34Å; D248-A251 PolarHBondContact O-N 3.09Å; D248-A251 VanDerWaalsContact O-N 3.12Å; I249-A251 VanDerWaalsContact C-N 3.27Å; I249-A251 PolarHBondContact O-N 2.91Å; A251-A255 VanDerWaalsContact O-CB 3.32Å; A251-A255 WeakPolarHBondContact O-CB 3.38Å; A251-A255 PolarHBondContact O-N 3.34Å
252A90.4Very high90.8Very high9 Ų968.8 Ų68.87%0.07436%0.363CS..Hα-helixtrans-65.9-46174.400000112.5R238 D248 I249 K250 A254 A255 E256R238-A252 HydrophobicContact CG-CB 3.47Å; R238-A252 VanDerWaalsContact CG-CB 3.47Å; D248-A252 PolarHBondContact O-N 3.18Å; I249-A252 WeakPolarHBondContact O-CA 3.45Å; I249-A252 WeakPolarHBondContact O-CB 3.5Å; I249-A252 PolarHBondContact O-N 3.03Å; K250-A252 VanDerWaalsContact C-N 3.34Å; A252-A254 VanDerWaalsContact C-N 3.34Å; A252-A254 PolarHBondContact O-N 2.94Å; A252-A255 WeakPolarHBondContact O-CB 3.43Å; A252-A255 PolarHBondContact O-N 2.97Å; A252-A255 VanDerWaalsContact O-N 3.16Å; A252-E256 PolarHBondContact O-N 3.27Å
253L91.7Very high91Very high51 Ų5169.3 Ų69.327%0.26736%0.364SS..Hα-helixtrans-63.1-39.3175.5-66174.7000111.9I249 A255 E256 R257 T275 P276I249-L253 HydrophobicContact CG1-CG 4.49Å; I249-L253 WeakPolarHBondContact O-CG 3.47Å; I249-L253 PolarHBondContact O-N 3.31Å; L253-A255 VanDerWaalsContact C-N 3.35Å; L253-E256 PolarHBondContact O-N 3.26Å; L253-R257 WeakPolarHBondContact O-CB 3.34Å; L253-R257 PolarHBondContact O-N 3Å; L253-T275 HydrophobicContact CD2-CG2 4.05Å; L253-P276 HydrophobicContact CD2-CG 4.27Å
254A93.4Very high91.3Very high62 Ų6273.3 Ų73.351%0.51239%0.394SS..Hα-helixtrans-64.8-39.2173.600000112K250 A252 R257 K258K250-A254 WeakPolarHBondContact O-CB 3.31Å; K250-A254 PolarHBondContact O-N 2.79Å; A252-A254 VanDerWaalsContact C-N 3.34Å; A252-A254 PolarHBondContact O-N 2.94Å; A254-R257 PolarHBondContact O-N 3.42Å; A254-K258 WeakPolarHBondContact O-CB 3.35Å; A254-K258 PolarHBondContact O-N 3.33Å
255A93.6Very high91.6Very high41 Ų4167.6 Ų67.634%0.33937%0.369SS..Hα-helixtrans-66.6-41.8175.400000112.1A251 A252 L253 K258 F259A251-A255 VanDerWaalsContact O-CB 3.32Å; A251-A255 WeakPolarHBondContact O-CB 3.38Å; A251-A255 PolarHBondContact O-N 3.34Å; A252-A255 WeakPolarHBondContact O-CB 3.43Å; A252-A255 PolarHBondContact O-N 2.97Å; A252-A255 VanDerWaalsContact O-N 3.16Å; L253-A255 VanDerWaalsContact C-N 3.35Å; A255-K258 PolarHBondContact O-N 3.5Å; A255-F259 PolarHBondContact O-N 2.91Å
256E95.6Very high92Very high5 Ų564.8 Ų64.82%0.02334%0.34CS..Hα-helixtrans-58.8-48.7173.1176.5-177.2-119.900110.9V235 V236 A252 L253 K258 F259 F260 G274 T275V235-E256 WeakPolarHBondContact CA-OE1 3.48Å; V236-E256 HydrophobicContact CB-CB 4.21Å; V236-E256 HydrophobicContact CB-CG 3.98Å; V236-E256 HydrophobicContact CG2-CG 4.42Å; V236-E256 PolarHBondContact N-OE1 2.69Å; A252-E256 PolarHBondContact O-N 3.27Å; L253-E256 PolarHBondContact O-N 3.26Å; E256-K258 VanDerWaalsContact C-N 3.3Å; E256-K258 PolarHBondContact O-N 2.89Å; E256-F259 WeakPolarHBondContact O-CB 3.46Å; E256-F259 PolarHBondContact O-N 3.31Å; E256-F259 VanDerWaalsContact O-N 3.12Å; E256-F260 HydrophobicContact CG-CD2 3.96Å; E256-F260 HydrophobicContact CG-CE2 3.66Å; E256-F260 VanDerWaalsContact O-CD2 3.29Å; E256-F260 WeakPolarHBondContact O-CD2 3.2Å; E256-F260 PolarHBondContact O-N 3.22Å; E256-F260 VanDerWaalsContact O-N 3.12Å; E256-G274 WeakPolarHBondContact OE1-CA 3.2Å; E256-G274 WeakPolarHBondContact OE2-CA 3.49Å; E256-T275 VanDerWaalsContact CD-N 3.27Å; E256-T275 PolarHBondContact OE1-N 3.26Å; E256-T275 VanDerWaalsContact OE1-N 3.12Å; E256-T275 PolarHBondContact OE1-OG1 3.42Å; E256-T275 VanDerWaalsContact OE1-OG1 3.12Å; E256-T275 PolarHBondContact OE2-N 3.25Å; E256-T275 PolarHBondContact OE2-OG1 3.34Å
257R94.9Very high92.5Very high105 Ų10563.1 Ų63.140%0.39633%0.333SS..Hα-helixtrans-60.2-41.9177-175.561172.7171.42.5111.6L253 A254 L261 A270 D271L253-R257 WeakPolarHBondContact O-CB 3.34Å; L253-R257 PolarHBondContact O-N 3Å; A254-R257 PolarHBondContact O-N 3.42Å; R257-L261 HydrophobicContact CG-CD1 4.01Å; R257-L261 WeakPolarHBondContact O-CB 3.22Å; R257-L261 VanDerWaalsContact O-CG 3.31Å; R257-L261 WeakPolarHBondContact O-CG 3.39Å; R257-L261 PolarHBondContact O-N 2.9Å; R257-L261 VanDerWaalsContact O-N 3.14Å; R257-A270 PolarHBondContact NH1-O 3.1Å; R257-D271 IonicContact CZ-OD1 3.25Å; R257-D271 VanDerWaalsContact CZ-OD1 3.25Å; R257-D271 IonicContact NH1-OD1 2.86Å; R257-D271 PolarHBondContact NH1-OD1 3.33Å; R257-D271 IonicContact NH2-OD1 2.69Å; R257-D271 PolarHBondContact NH2-OD1 3.49Å
258K95.8Very high92.7Very high154 Ų15465.2 Ų65.267%0.6734%0.344SS*.Hα-helixtrans-63.2-40.7175.2-175.5179.9177.3-177.80111.7A254 A255 E256 L261 S262A254-K258 WeakPolarHBondContact O-CB 3.35Å; A254-K258 PolarHBondContact O-N 3.33Å; A255-K258 PolarHBondContact O-N 3.5Å; E256-K258 VanDerWaalsContact C-N 3.3Å; E256-K258 PolarHBondContact O-N 2.89Å; K258-L261 PolarHBondContact O-N 2.78Å; K258-S262 VanDerWaalsContact O-CB 3.26Å; K258-S262 WeakPolarHBondContact O-CB 3.33Å; K258-S262 PolarHBondContact O-N 2.76Å; K258-S262 PolarHBondContact O-OG 3.49Å
259F95.8Very high93.1Very high37 Ų3761 Ų6116%0.16232%0.321CS..Hα-helixtrans-56.8-56176.9171.8-93.6000110.8L208 D209 V236 A255 E256 L261 S262 H263 Y266L208-F259 HydrophobicContact CB-CE1 3.89Å; L208-F259 HydrophobicContact CB-CZ 3.94Å; D209-F259 HydrophobicContact CB-CE2 4.16Å; V236-F259 HydrophobicContact CG2-CD1 3.52Å; V236-F259 HydrophobicContact CG2-CE1 3.8Å; V236-F259 HydrophobicContact CG2-CG 4.04Å; A255-F259 PolarHBondContact O-N 2.91Å; E256-F259 WeakPolarHBondContact O-CB 3.46Å; E256-F259 PolarHBondContact O-N 3.31Å; E256-F259 VanDerWaalsContact O-N 3.12Å; F259-L261 VanDerWaalsContact C-N 3.32Å; F259-L261 PolarHBondContact O-N 2.82Å; F259-S262 PolarHBondContact O-N 2.69Å; F259-S262 PolarHBondContact O-OG 3Å; F259-H263 WeakPolarHBondContact O-CB 3.36Å; F259-H263 PolarHBondContact O-N 2.97Å; F259-Y266 AromaticContact CE1-CD2 3.94Å; F259-Y266 HydrophobicContact CE1-CD2 3.94Å; F259-Y266 HydrophobicContact CE1-CE2 4.07Å; F259-Y266 HydrophobicContact CZ-CD2 4.26Å; F259-Y266 HydrophobicContact CZ-CE2 4.06Å
260F96.1Very high93.4Very high2 Ų259.9 Ų59.91%0.00932%0.316CS..Hα-helixtrans-63.1-36.1-178.7-72.2-67.3000113.4L208 G234 V236 E256 Y266 R267 A270 M273L208-F260 HydrophobicContact CD1-CE1 3.82Å; L208-F260 HydrophobicContact CD1-CZ 3.78Å; G234-F260 WeakPolarHBondContact O-CZ 3.49Å; V236-F260 HydrophobicContact CG2-CE2 4.13Å; V236-F260 HydrophobicContact CG2-CZ 4.16Å; E256-F260 HydrophobicContact CG-CD2 3.96Å; E256-F260 HydrophobicContact CG-CE2 3.66Å; E256-F260 VanDerWaalsContact O-CD2 3.29Å; E256-F260 WeakPolarHBondContact O-CD2 3.2Å; E256-F260 PolarHBondContact O-N 3.22Å; E256-F260 VanDerWaalsContact O-N 3.12Å; F260-Y266 HydrophobicContact CD1-CD2 4.38Å; F260-Y266 HydrophobicContact CD1-CG 4.41Å; F260-R267 VanDerWaalsContact O-CA 3.31Å; F260-R267 WeakPolarHBondContact O-CA 3.43Å; F260-R267 PolarHBondContact O-N 3.45Å; F260-A270 HydrophobicContact CB-CB 3.78Å; F260-M273 HydrophobicContact CD1-CB 3.76Å; F260-M273 HydrophobicContact CD1-CG 4.1Å; F260-M273 HydrophobicContact CD2-CB 3.98Å; F260-M273 HydrophobicContact CE1-CB 3.71Å; F260-M273 HydrophobicContact CE1-CG 4.01Å; F260-M273 HydrophobicContact CE2-CB 3.92Å; F260-M273 HydrophobicContact CG-CB 3.91Å; F260-M273 HydrophobicContact CZ-CB 3.8Å
261L95Very high93.6Very high65 Ų6558.6 Ų58.634%0.3432%0.316SS..Hα-helixtrans-73.7-26.9178-71.8172.6000113.7R257 K258 F259 R267 A270R257-L261 HydrophobicContact CG-CD1 4.01Å; R257-L261 WeakPolarHBondContact O-CB 3.22Å; R257-L261 VanDerWaalsContact O-CG 3.31Å; R257-L261 WeakPolarHBondContact O-CG 3.39Å; R257-L261 PolarHBondContact O-N 2.9Å; R257-L261 VanDerWaalsContact O-N 3.14Å; K258-L261 PolarHBondContact O-N 2.78Å; F259-L261 VanDerWaalsContact C-N 3.32Å; F259-L261 PolarHBondContact O-N 2.82Å; L261-R267 PolarHBondContact O-NH1 3.04Å; L261-A270 HydrophobicContact CD2-CB 3.82Å; L261-A270 HydrophobicContact CG-CB 4.28Å
262S93.9Very high93.7Very high82 Ų8263.5 Ų63.557%0.57332%0.324SS*.Hα-helixtrans-94.6-21.8-177.859.70000113.8K258 F259K258-S262 VanDerWaalsContact O-CB 3.26Å; K258-S262 WeakPolarHBondContact O-CB 3.33Å; K258-S262 PolarHBondContact O-N 2.76Å; K258-S262 PolarHBondContact O-OG 3.49Å; F259-S262 PolarHBondContact O-N 2.69Å; F259-S262 PolarHBondContact O-OG 3Å
263H92.9Very high93.9Very high52 Ų5263.7 Ų63.724%0.24132%0.324CS..  trans-77.5124.2-179.5-160.1-78.2000112F259 S265 Y266 R267F259-H263 WeakPolarHBondContact O-CB 3.36Å; F259-H263 PolarHBondContact O-N 2.97Å; H263-S265 VanDerWaalsContact C-N 3.31Å; H263-S265 PolarHBondContact ND1-N 2.97Å; H263-S265 PolarHBondContact O-N 3.17Å; H263-Y266 HydrophobicContact CB-CD2 3.76Å; H263-Y266 HydrophobicContact CB-CG 4.43Å; H263-Y266 AromaticContact CE1-CD2 3.96Å; H263-Y266 AromaticContact CE1-CE2 3.67Å; H263-Y266 AromaticContact CG-CD2 3.46Å; H263-Y266 VanDerWaalsContact CG-CD2 3.46Å; H263-Y266 AromaticContact CG-CE2 3.84Å; H263-Y266 AromaticContact ND1-CD2 3.34Å; H263-Y266 VanDerWaalsContact ND1-CD2 3.34Å; H263-Y266 WeakPolarHBondContact ND1-CD2 3.38Å; H263-Y266 AromaticContact ND1-CE2 3.55Å; H263-Y266 AromaticContact ND1-CG 3.93Å; H263-Y266 PolarHBondContact O-N 3.29Å; H263-R267 WeakPolarHBondContact O-CB 3.48Å; H263-R267 PolarHBondContact O-N 3.4Å
264S92.4Very high94.1Very high106 Ų10661.4 Ų61.474%0.74131%0.312SS*.THydrogen-bonded Turntrans-56.5-40.8-176.2500000113.4
265S92.2Very high94.2Very high18 Ų1858.6 Ų58.613%0.12629%0.289CS..THydrogen-bonded Turntrans-77.7-17-177.6-50.40000114.9D216 H263 H268D216-S265 WeakPolarHBondContact OD2-CB 3.1Å; D216-S265 PolarHBondContact OD2-OG 3.36Å; H263-S265 VanDerWaalsContact C-N 3.31Å; H263-S265 PolarHBondContact ND1-N 2.97Å; H263-S265 PolarHBondContact O-N 3.17Å; S265-H268 PolarHBondContact O-CE1 2.94Å
266Y94.7Very high94.1Very high1 Ų160 Ų600%0.00430%0.295CS..THydrogen-bonded Turntrans-118.5-11.6-172.5-50.5-44.5000114.1L208 D216 A217 R218 L221 F259 F260 H263 H268 M269 A270L208-Y266 HydrophobicContact CD2-CE2 4.36Å; L208-Y266 WeakPolarHBondContact CD2-OH 3.46Å; D216-Y266 HydrophobicContact CB-CE1 4.3Å; A217-Y266 PolarHBondContact N-OH 3.28Å; R218-Y266 HydrophobicContact CB-CE1 4.44Å; L221-Y266 HydrophobicContact CD1-CD1 3.87Å; L221-Y266 HydrophobicContact CD1-CE1 3.74Å; F259-Y266 AromaticContact CE1-CD2 3.94Å; F259-Y266 HydrophobicContact CE1-CD2 3.94Å; F259-Y266 HydrophobicContact CE1-CE2 4.07Å; F259-Y266 HydrophobicContact CZ-CD2 4.26Å; F259-Y266 HydrophobicContact CZ-CE2 4.06Å; F260-Y266 HydrophobicContact CD1-CD2 4.38Å; F260-Y266 HydrophobicContact CD1-CG 4.41Å; H263-Y266 HydrophobicContact CB-CD2 3.76Å; H263-Y266 HydrophobicContact CB-CG 4.43Å; H263-Y266 AromaticContact CE1-CD2 3.96Å; H263-Y266 AromaticContact CE1-CE2 3.67Å; H263-Y266 AromaticContact CG-CD2 3.46Å; H263-Y266 VanDerWaalsContact CG-CD2 3.46Å; H263-Y266 AromaticContact CG-CE2 3.84Å; H263-Y266 AromaticContact ND1-CD2 3.34Å; H263-Y266 VanDerWaalsContact ND1-CD2 3.34Å; H263-Y266 WeakPolarHBondContact ND1-CD2 3.38Å; H263-Y266 AromaticContact ND1-CE2 3.55Å; H263-Y266 AromaticContact ND1-CG 3.93Å; H263-Y266 PolarHBondContact O-N 3.29Å; Y266-H268 VanDerWaalsContact C-N 3.25Å; Y266-H268 PolarHBondContact O-N 3.37Å; Y266-H268 VanDerWaalsContact O-N 3.15Å; Y266-M269 HydrophobicContact CD1-SD 4.46Å; Y266-M269 CarbonylContact O-C 3.56Å; Y266-M269 WeakPolarHBondContact O-CG 3.36Å; Y266-M269 PolarHBondContact O-N 2.89Å; Y266-A270 PolarHBondContact O-N 3.45Å; Y266-A270 VanDerWaalsContact O-N 3.1Å
267R93.4Very high94.1Very high166 Ų16662.9 Ų62.963%0.62631%0.307SS*.G310 helixtrans-52.7-39.8-175.5-178177.7175.799.5-4.2113.6F260 L261 H263 M269 A270F260-R267 VanDerWaalsContact O-CA 3.31Å; F260-R267 WeakPolarHBondContact O-CA 3.43Å; F260-R267 PolarHBondContact O-N 3.45Å; L261-R267 PolarHBondContact O-NH1 3.04Å; H263-R267 WeakPolarHBondContact O-CB 3.48Å; H263-R267 PolarHBondContact O-N 3.4Å; R267-M269 PolarHBondContact O-N 3.41Å; R267-A270 PolarHBondContact O-N 3.07Å
268H93Very high94.1Very high107 Ų10757.9 Ų57.950%0.49529%0.288SS..G310 helixtrans-73.1-13.4-179.366.9-71000114.1E222 S265 Y266E222-H268 IonicContact OE1-CD2 3.42Å; E222-H268 IonicContact OE1-CE1 3.57Å; E222-H268 PolarHBondContact OE1-CE1 2.88Å; E222-H268 IonicContact OE1-NE2 2.98Å; E222-H268 PolarHBondContact OE1-NE2 3.1Å; S265-H268 PolarHBondContact O-CE1 2.94Å; Y266-H268 VanDerWaalsContact C-N 3.25Å; Y266-H268 PolarHBondContact O-N 3.37Å; Y266-H268 VanDerWaalsContact O-N 3.15Å
269M94.1Very high93.9Very high3 Ų351.6 Ų51.62%0.01526%0.262CS..G310 helixtrans-116.26.517867.9-178.881.200113.3R218 L221 E222 Y266 R267 D271 R272 M273R218-M269 HydrophobicContact CG-CE 4.18Å; L221-M269 HydrophobicContact CB-SD 3.64Å; L221-M269 HydrophobicContact CD1-SD 4.16Å; E222-M269 HydrophobicContact CG-CE 3.48Å; E222-M269 VanDerWaalsContact CG-CE 3.48Å; Y266-M269 HydrophobicContact CD1-SD 4.46Å; Y266-M269 CarbonylContact O-C 3.56Å; Y266-M269 WeakPolarHBondContact O-CG 3.36Å; Y266-M269 PolarHBondContact O-N 2.89Å; R267-M269 PolarHBondContact O-N 3.41Å; M269-D271 PolarHBondContact O-N 3.47Å; M269-R272 PolarHBondContact O-N 3.29Å; M269-M273 HydrophobicContact CB-CE 4.42Å; M269-M273 HydrophobicContact CG-CE 4.17Å; M269-M273 HydrophobicContact CG-CG 4.09Å; M269-M273 WeakPolarHBondContact O-CG 3.26Å; M269-M273 HydrophobicContact SD-CE 3.76Å
270A92.6Very high93.6Very high2 Ų252.2 Ų52.22%0.01727%0.27CS..G310 helixtrans-55.4-26.8-173.700000114.8R257 F260 L261 Y266 R267 R272R257-A270 PolarHBondContact NH1-O 3.1Å; F260-A270 HydrophobicContact CB-CB 3.78Å; L261-A270 HydrophobicContact CD2-CB 3.82Å; L261-A270 HydrophobicContact CG-CB 4.28Å; Y266-A270 PolarHBondContact O-N 3.45Å; Y266-A270 VanDerWaalsContact O-N 3.1Å; R267-A270 PolarHBondContact O-N 3.07Å; A270-R272 VanDerWaalsContact C-N 3.32Å
271D92.5Very high93.4Very high116 Ų11652.9 Ų52.962%0.6228%0.275SS*.G310 helixtrans-77.2-14.5177.1-64.5-31.7000114.3R257 M269R257-D271 IonicContact CZ-OD1 3.25Å; R257-D271 VanDerWaalsContact CZ-OD1 3.25Å; R257-D271 IonicContact NH1-OD1 2.86Å; R257-D271 PolarHBondContact NH1-OD1 3.33Å; R257-D271 IonicContact NH2-OD1 2.69Å; R257-D271 PolarHBondContact NH2-OD1 3.49Å; M269-D271 PolarHBondContact O-N 3.47Å
272R92.9Very high93.2Very high149 Ų14949.8 Ų49.856%0.56226%0.259SS*.G310 helixtrans-108.420.1176.7-63-176.7-69.1164.4-0.7112.1M269 A270 F277M269-R272 PolarHBondContact O-N 3.29Å; A270-R272 VanDerWaalsContact C-N 3.32Å; R272-F277 HydrophobicContact CB-CE1 4.01Å; R272-F277 HydrophobicContact CB-CE2 4.36Å; R272-F277 HydrophobicContact CB-CZ 3.93Å; R272-F277 HydrophobicContact CG-CE2 4.33Å; R272-F277 HydrophobicContact CG-CZ 4.13Å; R272-F277 WeakPolarHBondContact O-CD1 3.32Å; R272-F277 WeakPolarHBondContact O-CE1 3.43Å
273M95.8Very high93Very high14 Ų1447.9 Ų47.97%0.06924%0.242CC..  trans-131.7164-176-61.3-63.8145.400110.5L221 G234 F260 M269L221-M273 HydrophobicContact CB-CE 4.13Å; L221-M273 HydrophobicContact CD1-SD 4.16Å; L221-M273 HydrophobicContact CD2-CE 4.38Å; L221-M273 HydrophobicContact CD2-SD 4.01Å; L221-M273 HydrophobicContact CG-SD 4.49Å; G234-M273 PolarHBondContact N-SD 2.79Å; F260-M273 HydrophobicContact CD1-CB 3.76Å; F260-M273 HydrophobicContact CD1-CG 4.1Å; F260-M273 HydrophobicContact CD2-CB 3.98Å; F260-M273 HydrophobicContact CE1-CB 3.71Å; F260-M273 HydrophobicContact CE1-CG 4.01Å; F260-M273 HydrophobicContact CE2-CB 3.92Å; F260-M273 HydrophobicContact CG-CB 3.91Å; F260-M273 HydrophobicContact CZ-CB 3.8Å; M269-M273 HydrophobicContact CB-CE 4.42Å; M269-M273 HydrophobicContact CG-CE 4.17Å; M269-M273 HydrophobicContact CG-CG 4.09Å; M269-M273 WeakPolarHBondContact O-CG 3.26Å; M269-M273 HydrophobicContact SD-CE 3.76Å
274G95.8Very high92.8Very high2 Ų249 Ų492%0.02125%0.247CC..SBendtrans92.3165.6177.400000114.4G234 E256 F277 L278G234-G274 WeakPolarHBondContact O-CA 3.21Å; G234-G274 PolarHBondContact O-N 2.86Å; E256-G274 WeakPolarHBondContact OE1-CA 3.2Å; E256-G274 WeakPolarHBondContact OE2-CA 3.49Å; G274-F277 PolarHBondContact O-N 3.48Å; G274-L278 PolarHBondContact O-N 2.6Å
275T94.6Very high92.6Very high3 Ų345 Ų452%0.01822%0.217CC..Hα-helixtrans-56.3-44.9-176.9-57.40000112.6N51 F52 L253 E256 F277 L278 Q279N51-T275 HydrophobicContact CB-CG2 3.8Å; F52-T275 HydrophobicContact CD1-CG2 3.65Å; F52-T275 HydrophobicContact CE1-CG2 3.86Å; L253-T275 HydrophobicContact CD2-CG2 4.05Å; E256-T275 VanDerWaalsContact CD-N 3.27Å; E256-T275 PolarHBondContact OE1-N 3.26Å; E256-T275 VanDerWaalsContact OE1-N 3.12Å; E256-T275 PolarHBondContact OE1-OG1 3.42Å; E256-T275 VanDerWaalsContact OE1-OG1 3.12Å; E256-T275 PolarHBondContact OE2-N 3.25Å; E256-T275 PolarHBondContact OE2-OG1 3.34Å; T275-F277 PolarHBondContact O-N 3.09Å; T275-L278 PolarHBondContact O-N 3.47Å; T275-Q279 WeakPolarHBondContact O-CB 3.49Å; T275-Q279 PolarHBondContact O-N 3.36Å
276P92.5Very high92.4Very high71 Ų7144.3 Ų44.346%0.46121%0.211SC..Hα-helixtrans-63.6-40.5-179.5-22.735.5000112.7L253 Q279 S280L253-P276 HydrophobicContact CD2-CG 4.27Å; P276-Q279 PolarHBondContact O-N 2.88Å; P276-S280 PolarHBondContact O-N 3.18Å; P276-S280 PolarHBondContact O-OG 3.07Å
277F94.5Very high92Very high65 Ų6544.7 Ų44.729%0.28521%0.214SC..Hα-helixtrans-68.2-39.5177.1-179-98.6000111.6I233 R272 G274 T275 S280 T281I233-F277 HydrophobicContact CD1-CD1 3.94Å; I233-F277 HydrophobicContact CD1-CE1 3.8Å; I233-F277 HydrophobicContact CG1-CD1 4.23Å; I233-F277 HydrophobicContact CG1-CE1 4.06Å; I233-F277 HydrophobicContact CG2-CD1 4.03Å; R272-F277 HydrophobicContact CB-CE1 4.01Å; R272-F277 HydrophobicContact CB-CE2 4.36Å; R272-F277 HydrophobicContact CB-CZ 3.93Å; R272-F277 HydrophobicContact CG-CE2 4.33Å; R272-F277 HydrophobicContact CG-CZ 4.13Å; R272-F277 WeakPolarHBondContact O-CD1 3.32Å; R272-F277 WeakPolarHBondContact O-CE1 3.43Å; G274-F277 PolarHBondContact O-N 3.48Å; T275-F277 PolarHBondContact O-N 3.09Å; F277-S280 WeakPolarHBondContact CA-OG 3.35Å; F277-S280 PolarHBondContact O-OG 3.13Å; F277-T281 VanDerWaalsContact O-CB 3.28Å; F277-T281 WeakPolarHBondContact O-CB 3.37Å; F277-T281 PolarHBondContact O-N 2.91Å; F277-T281 PolarHBondContact O-OG1 3.03Å
278L95.1Very high91.6Very high0 Ų037.1 Ų37.10%019%0.186CC..Hα-helixtrans-60.1-49.8173.5-179.458.9000110.8V48 F52 L173 V204 I233 V235 G274 T275 S280 T281 L282V48-L278 HydrophobicContact CG1-CD2 3.88Å; F52-L278 HydrophobicContact CE1-CB 4.3Å; F52-L278 HydrophobicContact CE1-CD2 3.93Å; F52-L278 HydrophobicContact CE1-CG 4.03Å; F52-L278 HydrophobicContact CZ-CB 4.46Å; F52-L278 HydrophobicContact CZ-CD2 3.56Å; F52-L278 HydrophobicContact CZ-CG 3.7Å; L173-L278 HydrophobicContact CD1-CD1 4.44Å; V204-L278 HydrophobicContact CG1-CD2 4.18Å; V204-L278 HydrophobicContact CG2-CD1 3.79Å; V204-L278 HydrophobicContact CG2-CD2 3.88Å; I233-L278 HydrophobicContact CB-CD1 4.16Å; I233-L278 HydrophobicContact CD1-CD1 3.73Å; I233-L278 HydrophobicContact CG1-CD1 4.49Å; I233-L278 HydrophobicContact CG2-CB 3.96Å; I233-L278 HydrophobicContact CG2-CD1 4.3Å; V235-L278 HydrophobicContact CG1-CB 4.32Å; V235-L278 HydrophobicContact CG1-CD2 3.75Å; G274-L278 PolarHBondContact O-N 2.6Å; T275-L278 PolarHBondContact O-N 3.47Å; L278-S280 PolarHBondContact O-N 3.34Å; L278-T281 PolarHBondContact O-N 2.88Å; L278-L282 HydrophobicContact CD1-CD1 3.96Å; L278-L282 HydrophobicContact CD1-CD2 4.28Å; L278-L282 HydrophobicContact CD1-CG 3.91Å; L278-L282 HydrophobicContact CG-CD1 3.96Å; L278-L282 HydrophobicContact CG-CG 4.29Å; L278-L282 VanDerWaalsContact O-CG 3.3Å; L278-L282 WeakPolarHBondContact O-CG 3.48Å; L278-L282 PolarHBondContact O-N 3.44Å
279Q91.7Very high91.2Very high23 Ų2333 Ų3311%0.10717%0.167CC..Hα-helixtrans-61.5-44.2-178.7-166.8179.714.300112.1F52 L131 T275 P276 T281 L282 N283F52-Q279 HydrophobicContact CD1-CB 4.01Å; F52-Q279 HydrophobicContact CD1-CG 4.22Å; F52-Q279 HydrophobicContact CE1-CB 4.04Å; L131-Q279 HydrophobicContact CB-CG 4.4Å; L131-Q279 HydrophobicContact CD1-CG 4.22Å; L131-Q279 HydrophobicContact CG-CG 4.42Å; T275-Q279 WeakPolarHBondContact O-CB 3.49Å; T275-Q279 PolarHBondContact O-N 3.36Å; P276-Q279 PolarHBondContact O-N 2.88Å; Q279-T281 VanDerWaalsContact C-N 3.33Å; Q279-T281 PolarHBondContact O-N 3.34Å; Q279-L282 PolarHBondContact O-N 2.96Å; Q279-N283 WeakPolarHBondContact O-CB 3.33Å; Q279-N283 PolarHBondContact O-N 2.76Å
280S90.4Very high90.8Very high49 Ų4933 Ų3334%0.34317%0.167SC..Hα-helixtrans-64.2-39.6175.9610000112.1P276 F277 L278 Q284P276-S280 PolarHBondContact O-N 3.18Å; P276-S280 PolarHBondContact O-OG 3.07Å; F277-S280 WeakPolarHBondContact CA-OG 3.35Å; F277-S280 PolarHBondContact O-OG 3.13Å; L278-S280 PolarHBondContact O-N 3.34Å; S280-Q284 WeakPolarHBondContact O-CB 3.32Å; S280-Q284 PolarHBondContact O-N 3.09Å
281T91.2Very high90.4Very high17 Ų1734.4 Ų34.410%0.10417%0.172CC..Hα-helixtrans-65.3-47.8177.3-58.70000110.5I233 F277 L278 Q279 N283 Q284 Q285I233-T281 HydrophobicContact CD1-CG2 3.99Å; F277-T281 VanDerWaalsContact O-CB 3.28Å; F277-T281 WeakPolarHBondContact O-CB 3.37Å; F277-T281 PolarHBondContact O-N 2.91Å; F277-T281 PolarHBondContact O-OG1 3.03Å; L278-T281 PolarHBondContact O-N 2.88Å; Q279-T281 VanDerWaalsContact C-N 3.33Å; Q279-T281 PolarHBondContact O-N 3.34Å; T281-N283 PolarHBondContact O-N 3.31Å; T281-Q284 PolarHBondContact O-N 3.23Å; T281-Q285 HydrophobicContact CG2-CG 3.96Å; T281-Q285 WeakPolarHBondContact O-CB 3.34Å; T281-Q285 WeakPolarHBondContact O-CG 3.44Å; T281-Q285 PolarHBondContact O-N 3.29Å
282L92.1Very high90Very high0 Ų033.6 Ų33.60%017%0.168CC..Hα-helixtrans-62.7-42.2179.4-66.8178.2000112.2I35 F52 L133 L135 L173 I202 L278 Q279 Q285 L286I35-L282 HydrophobicContact CD1-CB 4.11Å; I35-L282 HydrophobicContact CD1-CD2 4.21Å; F52-L282 HydrophobicContact CE2-CD1 3.75Å; F52-L282 HydrophobicContact CZ-CD1 3.68Å; L133-L282 HydrophobicContact CD1-CB 3.96Å; L133-L282 HydrophobicContact CD2-CB 4.08Å; L133-L282 HydrophobicContact CD2-CD1 4.43Å; L135-L282 HydrophobicContact CD2-CD1 4.37Å; L173-L282 HydrophobicContact CD1-CD1 4.38Å; L173-L282 HydrophobicContact CD1-CD2 3.76Å; L173-L282 HydrophobicContact CD2-CD1 3.89Å; I202-L282 HydrophobicContact CD1-CD2 3.59Å; L278-L282 HydrophobicContact CD1-CD1 3.96Å; L278-L282 HydrophobicContact CD1-CD2 4.28Å; L278-L282 HydrophobicContact CD1-CG 3.91Å; L278-L282 HydrophobicContact CG-CD1 3.96Å; L278-L282 HydrophobicContact CG-CG 4.29Å; L278-L282 VanDerWaalsContact O-CG 3.3Å; L278-L282 WeakPolarHBondContact O-CG 3.48Å; L278-L282 PolarHBondContact O-N 3.44Å; Q279-L282 PolarHBondContact O-N 2.96Å; L282-Q285 PolarHBondContact O-N 2.87Å; L282-L286 VanDerWaalsContact O-CB 3.23Å; L282-L286 WeakPolarHBondContact O-CB 3.48Å; L282-L286 PolarHBondContact O-N 2.87Å
283N88.4Confident89.6Confident41 Ų4127.3 Ų27.322%0.21915%0.146CC..Hα-helixtrans-57.6-52.6173.6170.9-92.4000110.8L131 N132 Q279 T281 Q285 L286 T287L131-N283 HydrophobicContact CB-CB 4.38Å; L131-N283 HydrophobicContact CD1-CB 4.17Å; N132-N283 PolarHBondContact O-ND2 3.14Å; Q279-N283 WeakPolarHBondContact O-CB 3.33Å; Q279-N283 PolarHBondContact O-N 2.76Å; T281-N283 PolarHBondContact O-N 3.31Å; N283-Q285 PolarHBondContact O-N 3.45Å; N283-L286 PolarHBondContact O-N 3.04Å; N283-T287 WeakPolarHBondContact O-CB 3.4Å; N283-T287 PolarHBondContact O-N 3.3Å; N283-T287 PolarHBondContact O-OG1 3.43Å
284Q88.1Confident89Confident76 Ų7626.8 Ų26.836%0.35514%0.143SC..Hα-helixtrans-60.5-44.8179.4-178-178.310.500112.5S280 T281 T287 N288 T743S280-Q284 WeakPolarHBondContact O-CB 3.32Å; S280-Q284 PolarHBondContact O-N 3.09Å; T281-Q284 PolarHBondContact O-N 3.23Å; Q284-T287 PolarHBondContact O-N 3.43Å; Q284-N288 WeakPolarHBondContact O-CB 3.31Å; Q284-N288 PolarHBondContact O-N 2.89Å; Q284-N288 PolarHBondContact O-ND2 3.13Å; Q284-T743 PolarHBondContact NE2-OG1 3.39Å
285Q89.2Confident88.5Confident23 Ų2329.2 Ų29.211%0.10716%0.158CC..Hα-helixtrans-67.1-42.4-179.3-66.5-58.7-7.200111.6L171 I202 R230 T281 L282 N283 H289L171-Q285 HydrophobicContact CD1-CB 4.28Å; I202-Q285 HydrophobicContact CD1-CB 4.44Å; I202-Q285 HydrophobicContact CD1-CG 4.4Å; R230-Q285 VanDerWaalsContact NH1-CD 3.27Å; T281-Q285 HydrophobicContact CG2-CG 3.96Å; T281-Q285 WeakPolarHBondContact O-CB 3.34Å; T281-Q285 WeakPolarHBondContact O-CG 3.44Å; T281-Q285 PolarHBondContact O-N 3.29Å; L282-Q285 PolarHBondContact O-N 2.87Å; N283-Q285 PolarHBondContact O-N 3.45Å; Q285-H289 WeakPolarHBondContact O-CB 3.41Å; Q285-H289 PolarHBondContact O-N 3.17Å
286L87.4Confident88.1Confident2 Ų231.1 Ų31.11%0.0118%0.179CC..Hα-helixtrans-61.7-48174.9-178.558.8000110.4I11 I35 L133 L282 N283 N288 H289 I290I11-L286 HydrophobicContact CD1-CD2 3.93Å; I11-L286 HydrophobicContact CD1-CG 4.28Å; I11-L286 HydrophobicContact CG1-CD2 4.03Å; I11-L286 HydrophobicContact CG1-CG 4.24Å; I11-L286 HydrophobicContact CG2-CD2 4.49Å; I35-L286 HydrophobicContact CD1-CB 3.87Å; I35-L286 HydrophobicContact CD1-CD1 4.46Å; I35-L286 HydrophobicContact CD1-CD2 4.34Å; I35-L286 HydrophobicContact CD1-CG 4.44Å; I35-L286 HydrophobicContact CG1-CD1 4.32Å; L133-L286 HydrophobicContact CD1-CB 4.41Å; L133-L286 HydrophobicContact CD1-CD2 3.91Å; L282-L286 VanDerWaalsContact O-CB 3.23Å; L282-L286 WeakPolarHBondContact O-CB 3.48Å; L282-L286 PolarHBondContact O-N 2.87Å; N283-L286 PolarHBondContact O-N 3.04Å; L286-N288 PolarHBondContact O-N 3.36Å; L286-H289 PolarHBondContact O-N 3.1Å; L286-H289 VanDerWaalsContact O-N 3.16Å; L286-I290 HydrophobicContact CD1-CD1 4.01Å; L286-I290 HydrophobicContact CD1-CG1 4.04Å; L286-I290 HydrophobicContact CD2-CD1 4.46Å; L286-I290 HydrophobicContact CG-CD1 3.77Å; L286-I290 HydrophobicContact CG-CG1 4.26Å; L286-I290 WeakPolarHBondContact O-CG1 3.4Å; L286-I290 PolarHBondContact O-N 2.98Å
287T86Confident87.7Confident9 Ų928 Ų286%0.05516%0.159CC..Hα-helixtrans-60.5-44.8179.9-61.30000112.6M7 L10 I11 N283 Q284 H289 R291M7-T287 HydrophobicContact CB-CG2 3.8Å; M7-T287 HydrophobicContact CG-CG2 4.17Å; M7-T287 WeakPolarHBondContact O-CG2 3.38Å; M7-T287 HydrophobicContact SD-CG2 3.31Å; M7-T287 WeakPolarHBondContact SD-CG2 3.33Å; L10-T287 HydrophobicContact CD1-CG2 4.03Å; I11-T287 WeakPolarHBondContact CD1-OG1 3.44Å; N283-T287 WeakPolarHBondContact O-CB 3.4Å; N283-T287 PolarHBondContact O-N 3.3Å; N283-T287 PolarHBondContact O-OG1 3.43Å; Q284-T287 PolarHBondContact O-N 3.43Å; T287-H289 VanDerWaalsContact C-N 3.34Å; T287-R291 PolarHBondContact O-N 3.49Å; T287-R291 VanDerWaalsContact O-N 3.12Å
288N85.4Confident87.3Confident7 Ų730.1 Ų30.14%0.03716%0.164CC..Hα-helixtrans-63.7-41.1175.2-72.7-28.7000111.5Q284 L286 R291 D292 T743Q284-N288 WeakPolarHBondContact O-CB 3.31Å; Q284-N288 PolarHBondContact O-N 2.89Å; Q284-N288 PolarHBondContact O-ND2 3.13Å; L286-N288 PolarHBondContact O-N 3.36Å; N288-R291 WeakPolarHBondContact O-CB 3.39Å; N288-R291 PolarHBondContact O-N 3.32Å; N288-D292 PolarHBondContact O-N 2.8Å; N288-D292 VanDerWaalsContact O-N 3.11Å; N288-T743 PolarHBondContact ND2-OG1 3.09Å
289H85.7Confident87Confident22 Ų2234.6 Ų34.610%0.10219%0.189CC..Hα-helixtrans-66.3-41.5179.2-173.665.4000112.6N169 L171 Q285 L286 T287 R291 D292 T293N169-H289 VanDerWaalsContact C-NE2 3.31Å; N169-H289 PolarHBondContact O-CD2 3.47Å; N169-H289 PolarHBondContact O-NE2 3.29Å; L171-H289 HydrophobicContact CD1-CB 3.99Å; L171-H289 HydrophobicContact CD2-CB 4.43Å; L171-H289 HydrophobicContact CG-CB 4.36Å; Q285-H289 WeakPolarHBondContact O-CB 3.41Å; Q285-H289 PolarHBondContact O-N 3.17Å; L286-H289 PolarHBondContact O-N 3.1Å; L286-H289 VanDerWaalsContact O-N 3.16Å; T287-H289 VanDerWaalsContact C-N 3.34Å; H289-R291 VanDerWaalsContact C-N 3.32Å; H289-R291 PolarHBondContact O-N 3.46Å; H289-D292 PolarHBondContact O-N 3.34Å; H289-T293 WeakPolarHBondContact O-CB 3.26Å; H289-T293 WeakPolarHBondContact O-CG2 3.27Å; H289-T293 PolarHBondContact O-N 2.96Å; H289-T293 PolarHBondContact O-OG1 2.93Å
290I85.3Confident86.8Confident1 Ų137.4 Ų37.41%0.00520%0.2CC..Hα-helixtrans-58.5-47.9173.7-65.6167.5000109.7L10 I11 V14 P33 L286 D292 T293 L294L10-I290 HydrophobicContact CB-CB 4.41Å; L10-I290 HydrophobicContact CB-CG2 3.92Å; L10-I290 HydrophobicContact CD1-CG2 4.47Å; L10-I290 HydrophobicContact CD2-CG2 4.35Å; L10-I290 HydrophobicContact CG-CG2 4.46Å; I11-I290 HydrophobicContact CB-CD1 4.4Å; I11-I290 HydrophobicContact CG1-CD1 3.65Å; V14-I290 HydrophobicContact CB-CD1 4.33Å; V14-I290 HydrophobicContact CG2-CB 4.36Å; V14-I290 HydrophobicContact CG2-CD1 3.77Å; V14-I290 HydrophobicContact CG2-CG1 3.87Å; V14-I290 HydrophobicContact CG2-CG2 3.54Å; P33-I290 HydrophobicContact CB-CB 4.44Å; P33-I290 HydrophobicContact CB-CG1 3.8Å; P33-I290 HydrophobicContact CG-CB 4.17Å; P33-I290 HydrophobicContact CG-CG1 3.69Å; P33-I290 HydrophobicContact CG-CG2 4.24Å; L286-I290 HydrophobicContact CD1-CD1 4.01Å; L286-I290 HydrophobicContact CD1-CG1 4.04Å; L286-I290 HydrophobicContact CD2-CD1 4.46Å; L286-I290 HydrophobicContact CG-CD1 3.77Å; L286-I290 HydrophobicContact CG-CG1 4.26Å; L286-I290 WeakPolarHBondContact O-CG1 3.4Å; L286-I290 PolarHBondContact O-N 2.98Å; I290-D292 VanDerWaalsContact C-N 3.32Å; I290-D292 PolarHBondContact O-N 3.03Å; I290-T293 PolarHBondContact O-N 3.26Å; I290-T293 PolarHBondContact O-OG1 3.39Å; I290-L294 HydrophobicContact CG2-CD2 4.44Å; I290-L294 WeakPolarHBondContact O-CB 3.48Å; I290-L294 PolarHBondContact O-N 2.96Å
291R82.9Confident86.6Confident32 Ų3235 Ų3512%0.12118%0.184CC..Hα-helixtrans-54.8-47.5178.3176.2-151-139.464.747112.5M7 L10 T287 N288 H289 P295 M738 T740M7-R291 PolarHBondContact SD-NH1 3.14Å; L10-R291 HydrophobicContact CD1-CB 4.04Å; T287-R291 PolarHBondContact O-N 3.49Å; T287-R291 VanDerWaalsContact O-N 3.12Å; N288-R291 WeakPolarHBondContact O-CB 3.39Å; N288-R291 PolarHBondContact O-N 3.32Å; H289-R291 VanDerWaalsContact C-N 3.32Å; H289-R291 PolarHBondContact O-N 3.46Å; R291-P295 WeakPolarHBondContact O-CD 3.36Å; R291-M738 PolarHBondContact NH2-O 2.97Å; R291-T740 PolarHBondContact NH1-OG1 3.09Å; R291-T740 VanDerWaalsContact NH2-CB 3.34Å; R291-T740 PolarHBondContact NH2-O 2.82Å; R291-T740 PolarHBondContact NH2-OG1 3.19Å
292D84.5Confident86.5Confident100 Ų10037.9 Ų37.954%0.53520%0.196SC..Hα-helixtrans-72.8-32-173.5-66.1-14.7000111.7N288 H289 I290N288-D292 PolarHBondContact O-N 2.8Å; N288-D292 VanDerWaalsContact O-N 3.11Å; H289-D292 PolarHBondContact O-N 3.34Å; I290-D292 VanDerWaalsContact C-N 3.32Å; I290-D292 PolarHBondContact O-N 3.03Å
293T84Confident86.4Confident17 Ų1741.7 Ų41.710%0.10422%0.222CC..Hα-helixtrans-89.5-30.3-176.754.70000113.9P33 N169 H289 I290 G296 L297P33-T293 WeakPolarHBondContact CB-OG1 3.48Å; N169-T293 HydrophobicContact CB-CG2 4.44Å; N169-T293 VanDerWaalsContact OD1-CG2 3.28Å; N169-T293 WeakPolarHBondContact OD1-CG2 3.49Å; H289-T293 WeakPolarHBondContact O-CB 3.26Å; H289-T293 WeakPolarHBondContact O-CG2 3.27Å; H289-T293 PolarHBondContact O-N 2.96Å; H289-T293 PolarHBondContact O-OG1 2.93Å; I290-T293 PolarHBondContact O-N 3.26Å; I290-T293 PolarHBondContact O-OG1 3.39Å; T293-G296 PolarHBondContact O-N 3.39Å; T293-G296 VanDerWaalsContact O-N 3.12Å; T293-L297 PolarHBondContact O-N 3.46Å
294L84.5Confident86.3Confident2 Ų243.2 Ų43.21%0.0123%0.228CC..Hα-helixtrans-60.9-37.6-173.4-170.866.5000114.3L10 L13 L17 I290 G296 L297 R298 I733 M738L10-L294 HydrophobicContact CD2-CD2 4.13Å; L13-L294 HydrophobicContact CD2-CD1 3.94Å; L13-L294 HydrophobicContact CD2-CD2 3.69Å; L17-L294 HydrophobicContact CD1-CD1 4.32Å; I290-L294 HydrophobicContact CG2-CD2 4.44Å; I290-L294 WeakPolarHBondContact O-CB 3.48Å; I290-L294 PolarHBondContact O-N 2.96Å; L294-G296 PolarHBondContact O-N 3.22Å; L294-L297 HydrophobicContact CD1-CD2 4.22Å; L294-L297 PolarHBondContact O-N 3.48Å; L294-R298 WeakPolarHBondContact O-CB 3.39Å; L294-R298 PolarHBondContact O-N 3.14Å; L294-I733 HydrophobicContact CD1-CD1 4.27Å; L294-I733 HydrophobicContact CD1-CG1 4.09Å; L294-I733 HydrophobicContact CD1-CG2 4.49Å; L294-I733 HydrophobicContact CG-CG2 4.42Å; L294-M738 HydrophobicContact CB-CE 3.5Å; L294-M738 HydrophobicContact CD2-CE 3.35Å; L294-M738 HydrophobicContact CG-CE 3.27Å
295P84.5Confident86.2Confident53 Ų5340.7 Ų40.734%0.34422%0.217SC..Hα-helixtrans-60.4-42.3173-2332000112.9R291 R298 N299 M738R291-P295 WeakPolarHBondContact O-CD 3.36Å; P295-R298 PolarHBondContact O-N 3.36Å; P295-N299 PolarHBondContact O-N 3.48Å; P295-N299 VanDerWaalsContact O-N 3.13Å; P295-N299 PolarHBondContact O-ND2 2.98Å; P295-M738 HydrophobicContact CG-CE 3.9Å; P295-M738 HydrophobicContact CG-SD 3.85Å
296G86Confident86.2Confident44 Ų4443.9 Ų43.945%0.45423%0.234SC..Hα-helixtrans-65.4-43.7176.700000111.8T293 L294 R298 N299 K300T293-G296 PolarHBondContact O-N 3.39Å; T293-G296 VanDerWaalsContact O-N 3.12Å; L294-G296 PolarHBondContact O-N 3.22Å; G296-R298 PolarHBondContact O-N 3.21Å; G296-N299 PolarHBondContact O-N 3.44Å; G296-K300 PolarHBondContact O-N 2.8Å
297L84.4Confident86.2Confident6 Ų647.6 Ų47.63%0.03127%0.265CS..Hα-helixtrans-59.7-45.2175.5-179.562.8000111.8L17 L30 L32 T293 L294 N299 K300 L301L17-L297 HydrophobicContact CD1-CD2 4.44Å; L30-L297 HydrophobicContact CD2-CD1 4.22Å; L32-L297 HydrophobicContact CD2-CD2 3.71Å; T293-L297 PolarHBondContact O-N 3.46Å; L294-L297 HydrophobicContact CD1-CD2 4.22Å; L294-L297 PolarHBondContact O-N 3.48Å; L297-N299 PolarHBondContact O-N 3.49Å; L297-K300 PolarHBondContact O-N 3.38Å; L297-L301 HydrophobicContact CD1-CD1 4.26Å; L297-L301 HydrophobicContact CD1-CG 4.31Å; L297-L301 HydrophobicContact CG-CD1 4.03Å; L297-L301 WeakPolarHBondContact O-CB 3.37Å; L297-L301 WeakPolarHBondContact O-CG 3.45Å; L297-L301 PolarHBondContact O-N 3.05Å
298R86.6Confident86.2Confident108 Ų10848.9 Ų48.941%0.40827%0.271SS..Hα-helixtrans-57.2-47.6176.2-176.2-175.1172.7176.90.1111.7L294 P295 G296 K300 L301 Q302 L730 I733L294-R298 WeakPolarHBondContact O-CB 3.39Å; L294-R298 PolarHBondContact O-N 3.14Å; P295-R298 PolarHBondContact O-N 3.36Å; G296-R298 PolarHBondContact O-N 3.21Å; R298-K300 PolarHBondContact O-N 3.36Å; R298-L301 PolarHBondContact O-N 3.26Å; R298-Q302 VanDerWaalsContact O-CB 3.32Å; R298-Q302 WeakPolarHBondContact O-CB 3.39Å; R298-Q302 PolarHBondContact O-N 2.89Å; R298-L730 HydrophobicContact CG-CD2 3.95Å; R298-I733 HydrophobicContact CB-CD1 4.45Å; R298-I733 HydrophobicContact CB-CG2 4.13Å; R298-I733 HydrophobicContact CG-CG2 4.06Å
299N88.5Confident86.2Confident95 Ų9551.8 Ų51.851%0.50829%0.285SS..Hα-helixtrans-63.9-40.2179.8-69.4-18.3000111.9P295 G296 L297 S303P295-N299 PolarHBondContact O-N 3.48Å; P295-N299 VanDerWaalsContact O-N 3.13Å; P295-N299 PolarHBondContact O-ND2 2.98Å; G296-N299 PolarHBondContact O-N 3.44Å; L297-N299 PolarHBondContact O-N 3.49Å; N299-S303 WeakPolarHBondContact O-CB 3.34Å; N299-S303 PolarHBondContact O-N 3.25Å; N299-S303 PolarHBondContact O-OG 3.28Å
300K86.9Confident86Confident81 Ų8157.8 Ų57.835%0.35231%0.31SS..Hα-helixtrans-62.7-49.3176-172.9177.1176-175.80111D31 G296 L297 R298 S303 Q304D31-K300 IonicContact OD2-NZ 3.03Å; D31-K300 PolarHBondContact OD2-NZ 2.91Å; D31-K300 VanDerWaalsContact OD2-NZ 3.15Å; G296-K300 PolarHBondContact O-N 2.8Å; L297-K300 PolarHBondContact O-N 3.38Å; R298-K300 PolarHBondContact O-N 3.36Å; K300-S303 PolarHBondContact O-N 2.93Å; K300-Q304 WeakPolarHBondContact O-CG 3.25Å; K300-Q304 PolarHBondContact O-N 3.13Å
301L85.9Confident85.7Confident0 Ų061.1 Ų61.10%033%0.326CS..Hα-helixtrans-59.6-46.7177-77.5172.6000112.5F21 L30 L297 R298 S303 Q304 M305 M726 A729 L730 I733F21-L301 HydrophobicContact CZ-CD1 4.48Å; F21-L301 HydrophobicContact CZ-CD2 4.06Å; L30-L301 HydrophobicContact CD1-CD2 3.58Å; L30-L301 HydrophobicContact CD2-CD2 3.51Å; L30-L301 HydrophobicContact CD2-CG 4.15Å; L30-L301 HydrophobicContact CG-CD2 4.21Å; L297-L301 HydrophobicContact CD1-CD1 4.26Å; L297-L301 HydrophobicContact CD1-CG 4.31Å; L297-L301 HydrophobicContact CG-CD1 4.03Å; L297-L301 WeakPolarHBondContact O-CB 3.37Å; L297-L301 WeakPolarHBondContact O-CG 3.45Å; L297-L301 PolarHBondContact O-N 3.05Å; R298-L301 PolarHBondContact O-N 3.26Å; L301-S303 PolarHBondContact O-N 3.45Å; L301-Q304 PolarHBondContact O-N 3.26Å; L301-M305 VanDerWaalsContact O-CB 3.31Å; L301-M305 WeakPolarHBondContact O-CB 3.34Å; L301-M305 PolarHBondContact O-N 2.92Å; L301-M726 HydrophobicContact CD2-CG 4.21Å; L301-A729 HydrophobicContact CD1-CB 4.22Å; L301-L730 HydrophobicContact CB-CD2 4.04Å; L301-L730 HydrophobicContact CB-CG 4.25Å; L301-I733 HydrophobicContact CD1-CD1 3.68Å
302Q89.8Confident85.8Confident77 Ų7759.6 Ų59.636%0.3632%0.32SS..Hα-helixtrans-63.6-41.8179.5-173.9173.4-2.600111.9R298 M305 L306 L730R298-Q302 VanDerWaalsContact O-CB 3.32Å; R298-Q302 WeakPolarHBondContact O-CB 3.39Å; R298-Q302 PolarHBondContact O-N 2.89Å; Q302-M305 PolarHBondContact O-N 3.11Å; Q302-L306 HydrophobicContact CG-CD1 4.18Å; Q302-L306 WeakPolarHBondContact O-CB 3.25Å; Q302-L306 VanDerWaalsContact O-CG 3.27Å; Q302-L306 WeakPolarHBondContact O-CG 3.41Å; Q302-L306 PolarHBondContact O-N 2.63Å; Q302-L730 HydrophobicContact CB-CD1 4.33Å; Q302-L730 HydrophobicContact CB-CD2 4.18Å
303S89.2Confident85.6Confident79 Ų7960.3 Ų60.355%0.55232%0.32SS*.Hα-helixtrans-65.3-43.2178.4-56.50000111.8N299 K300 L301 A307N299-S303 WeakPolarHBondContact O-CB 3.34Å; N299-S303 PolarHBondContact O-N 3.25Å; N299-S303 PolarHBondContact O-OG 3.28Å; K300-S303 PolarHBondContact O-N 2.93Å; L301-S303 PolarHBondContact O-N 3.45Å; S303-A307 WeakPolarHBondContact O-CB 3.48Å; S303-A307 PolarHBondContact O-N 3.38Å; S303-A307 VanDerWaalsContact O-N 3.09Å
304Q86.8Confident85.3Confident73 Ų7364.9 Ų64.934%0.34134%0.341SS..Hα-helixtrans-65.1-44.5176.2-72.9-177.8-2300111.8K300 L301 L306 A307 M308 M726K300-Q304 WeakPolarHBondContact O-CG 3.25Å; K300-Q304 PolarHBondContact O-N 3.13Å; L301-Q304 PolarHBondContact O-N 3.26Å; Q304-L306 PolarHBondContact O-N 3.36Å; Q304-A307 PolarHBondContact O-N 2.89Å; Q304-M308 VanDerWaalsContact O-CG 3.31Å; Q304-M308 WeakPolarHBondContact O-CG 3.38Å; Q304-M308 PolarHBondContact O-N 3.34Å; Q304-M308 VanDerWaalsContact O-N 3.15Å; Q304-M726 HydrophobicContact CB-CE 3.76Å; Q304-M726 HydrophobicContact CB-SD 3.87Å
305M87.4Confident85Confident23 Ų2367.4 Ų67.411%0.11335%0.35CS..Hα-helixtrans-58.8-47.1176.9-175.6-159.872.300111.6L301 Q302 A307 M308 E309 Y723 M726 K727 L730L301-M305 VanDerWaalsContact O-CB 3.31Å; L301-M305 WeakPolarHBondContact O-CB 3.34Å; L301-M305 PolarHBondContact O-N 2.92Å; Q302-M305 PolarHBondContact O-N 3.11Å; M305-A307 VanDerWaalsContact C-N 3.34Å; M305-A307 PolarHBondContact O-N 2.83Å; M305-M308 PolarHBondContact O-N 3.06Å; M305-E309 PolarHBondContact O-N 2.57Å; M305-Y723 HydrophobicContact CG-CD2 3.85Å; M305-Y723 HydrophobicContact CG-CE2 3.64Å; M305-M726 HydrophobicContact CB-CB 4.16Å; M305-M726 HydrophobicContact CB-SD 4.19Å; M305-M726 HydrophobicContact CG-CB 4.37Å; M305-K727 HydrophobicContact SD-CB 4.36Å; M305-L730 HydrophobicContact CB-CD1 4.37Å; M305-L730 HydrophobicContact CE-CD1 4.11Å; M305-L730 HydrophobicContact SD-CD1 3.53Å; M305-L730 VanDerWaalsContact SD-CD1 3.53Å
306L89.1Confident84.5Confident90 Ų9069.8 Ų69.847%0.47136%0.355SS..Hα-helixtrans-63.8-37178.7-72.7172.8000112.5Q302 Q304 M308 E309Q302-L306 HydrophobicContact CG-CD1 4.18Å; Q302-L306 WeakPolarHBondContact O-CB 3.25Å; Q302-L306 VanDerWaalsContact O-CG 3.27Å; Q302-L306 WeakPolarHBondContact O-CG 3.41Å; Q302-L306 PolarHBondContact O-N 2.63Å; Q304-L306 PolarHBondContact O-N 3.36Å; L306-M308 VanDerWaalsContact C-N 3.29Å; L306-M308 PolarHBondContact O-N 2.82Å; L306-E309 WeakPolarHBondContact CD2-OE2 3.4Å; L306-E309 PolarHBondContact O-N 3.37Å
307A87.1Confident83.7Confident81 Ų8174.1 Ų74.167%0.66936%0.363SS*.Hα-helixtrans-65.3-34.317700000112.3S303 Q304 M305S303-A307 WeakPolarHBondContact O-CB 3.48Å; S303-A307 PolarHBondContact O-N 3.38Å; S303-A307 VanDerWaalsContact O-N 3.09Å; Q304-A307 PolarHBondContact O-N 2.89Å; M305-A307 VanDerWaalsContact C-N 3.34Å; M305-A307 PolarHBondContact O-N 2.83Å
308M84.6Confident82.8Confident36 Ų3676.1 Ų76.118%0.17737%0.371CS..Hα-helixtrans-84.9-19.9179.1-62.2173.960.900113.2Q304 M305 L306 K310 E311 V312 M719 V722 Y723 M726Q304-M308 VanDerWaalsContact O-CG 3.31Å; Q304-M308 WeakPolarHBondContact O-CG 3.38Å; Q304-M308 PolarHBondContact O-N 3.34Å; Q304-M308 VanDerWaalsContact O-N 3.15Å; M305-M308 PolarHBondContact O-N 3.06Å; L306-M308 VanDerWaalsContact C-N 3.29Å; L306-M308 PolarHBondContact O-N 2.82Å; M308-K310 VanDerWaalsContact C-N 3.35Å; M308-K310 PolarHBondContact O-N 3.47Å; M308-E311 PolarHBondContact O-N 3.27Å; M308-V312 HydrophobicContact CB-CG2 4.43Å; M308-V312 WeakPolarHBondContact O-CG2 3.49Å; M308-V312 PolarHBondContact O-N 2.8Å; M308-M719 HydrophobicContact CE-CG 3.42Å; M308-M719 VanDerWaalsContact CE-CG 3.42Å; M308-V722 HydrophobicContact CE-CB 4.08Å; M308-V722 HydrophobicContact CE-CG1 3.77Å; M308-V722 HydrophobicContact SD-CG1 4.14Å; M308-Y723 HydrophobicContact CB-CD2 4.45Å; M308-M726 HydrophobicContact SD-CE 3.98Å; M308-M726 HydrophobicContact SD-SD 4.03Å
309E85.6Confident81.8Confident68 Ų6877.6 Ų77.632%0.31838%0.38SS..Hα-helixtrans-56.4-44.8-169.4-174.9157.2-123.600113M305 L306 V312 E313 Y723M305-E309 PolarHBondContact O-N 2.57Å; L306-E309 WeakPolarHBondContact CD2-OE2 3.4Å; L306-E309 PolarHBondContact O-N 3.37Å; E309-V312 PolarHBondContact O-N 3.39Å; E309-E313 VanDerWaalsContact O-CB 3.27Å; E309-E313 WeakPolarHBondContact O-CB 3.42Å; E309-E313 PolarHBondContact O-N 3.31Å; E309-Y723 HydrophobicContact CB-CE2 3.85Å; E309-Y723 HydrophobicContact CG-CE2 4Å; E309-Y723 PolarHBondContact OE1-OH 3.05Å
310K82.1Confident80.5Confident148 Ų14876.7 Ų76.764%0.64338%0.38SS*.Hα-helixtrans-62.1-46.9179.8-174.6-175.6173.7-170.20112.3M308 E313 E314M308-K310 VanDerWaalsContact C-N 3.35Å; M308-K310 PolarHBondContact O-N 3.47Å; K310-E313 PolarHBondContact O-N 3.38Å; K310-E314 WeakPolarHBondContact CE-OE1 3.22Å; K310-E314 WeakPolarHBondContact O-CG 3.48Å; K310-E314 PolarHBondContact O-N 3.29Å; K310-E314 VanDerWaalsContact O-N 3.07Å
311E80.2Confident79.5Confident70 Ų7077.2 Ų77.233%0.32739%0.394SS..Hα-helixtrans-71.3-35.6-177.9-161-166.7159.800110.8M308 E314 Y315 M719M308-E311 PolarHBondContact O-N 3.27Å; E311-E314 PolarHBondContact O-N 3.05Å; E311-Y315 HydrophobicContact CG-CD2 4.44Å; E311-Y315 HydrophobicContact CG-CE2 3.82Å; E311-Y315 VanDerWaalsContact O-CD2 3.25Å; E311-Y315 WeakPolarHBondContact O-CD2 3.41Å; E311-Y315 VanDerWaalsContact O-CG 3.31Å; E311-Y315 PolarHBondContact O-N 3.07Å; E311-Y315 WeakPolarHBondContact OE1-CE2 3.3Å; E311-Y315 PolarHBondContact OE1-OH 3.35Å; E311-M719 HydrophobicContact CB-CE 3.44Å; E311-M719 VanDerWaalsContact CB-CE 3.44Å; E311-M719 VanDerWaalsContact CD-SD 3.54Å; E311-M719 HydrophobicContact CG-CE 3.46Å; E311-M719 VanDerWaalsContact CG-CE 3.46Å; E311-M719 HydrophobicContact CG-SD 4.32Å
312V84.5Confident79Confident1 Ų180 Ų801%0.00641%0.408CS..Hα-helixtrans-68.5-37.5172.8172.10000112.1M308 E309 E314 Y315 K316 M719 V720 Y723M308-V312 HydrophobicContact CB-CG2 4.43Å; M308-V312 WeakPolarHBondContact O-CG2 3.49Å; M308-V312 PolarHBondContact O-N 2.8Å; E309-V312 PolarHBondContact O-N 3.39Å; V312-E314 VanDerWaalsContact C-N 3.34Å; V312-Y315 CarbonylContact O-C 3.38Å; V312-Y315 PolarHBondContact O-N 3.27Å; V312-K316 HydrophobicContact CG1-CD 4.03Å; V312-K316 HydrophobicContact CG1-CG 4.2Å; V312-K316 WeakPolarHBondContact O-CB 3.21Å; V312-K316 WeakPolarHBondContact O-CG 3.34Å; V312-K316 PolarHBondContact O-N 3.28Å; V312-M719 HydrophobicContact CB-CE 4.47Å; V312-M719 HydrophobicContact CG2-CE 3.52Å; V312-M719 HydrophobicContact CG2-CG 4.19Å; V312-V720 HydrophobicContact CG1-CG2 4.26Å; V312-Y723 HydrophobicContact CB-CD2 4.35Å; V312-Y723 HydrophobicContact CB-CG 4.18Å; V312-Y723 HydrophobicContact CG1-CD1 3.75Å; V312-Y723 HydrophobicContact CG1-CD2 4.43Å; V312-Y723 HydrophobicContact CG1-CE1 4.28Å; V312-Y723 HydrophobicContact CG1-CG 3.85Å; V312-Y723 HydrophobicContact CG2-CD2 4.28Å; V312-Y723 HydrophobicContact CG2-CG 4.01Å
313E80.5Confident78.4Confident114 Ų11480.3 Ų80.353%0.53342%0.417SS..Hα-helixtrans-64.4-41.5175.9-169.9168.9-154.700110.8E309 K310 Y315 K316 H317E309-E313 VanDerWaalsContact O-CB 3.27Å; E309-E313 WeakPolarHBondContact O-CB 3.42Å; E309-E313 PolarHBondContact O-N 3.31Å; K310-E313 PolarHBondContact O-N 3.38Å; E313-Y315 VanDerWaalsContact C-N 3.34Å; E313-Y315 PolarHBondContact O-N 3.48Å; E313-K316 PolarHBondContact O-N 3.29Å; E313-H317 PolarHBondContact O-N 3Å; E313-H317 VanDerWaalsContact O-N 3.13Å; E313-H317 PolarHBondContact O-ND1 3Å
314E76.9Confident78Confident114 Ų11480.3 Ų80.353%0.53342%0.417SS..Hα-helixtrans-59-43.8171-71.1174.2-165.800111.4K310 E311 V312 H317 Y318K310-E314 WeakPolarHBondContact CE-OE1 3.22Å; K310-E314 WeakPolarHBondContact O-CG 3.48Å; K310-E314 PolarHBondContact O-N 3.29Å; K310-E314 VanDerWaalsContact O-N 3.07Å; E311-E314 PolarHBondContact O-N 3.05Å; V312-E314 VanDerWaalsContact C-N 3.34Å; E314-H317 PolarHBondContact O-N 3.22Å; E314-Y318 PolarHBondContact O-N 3.46Å; E314-Y318 VanDerWaalsContact O-N 3.12Å
315Y78.4Confident77.6Confident54 Ų5481.4 Ų81.421%0.21242%0.421CS..Hα-helixtrans-70.8-30.6176.7-68.4-36.1000114.9E311 V312 E313 H317 Y318 R716 M719E311-Y315 HydrophobicContact CG-CD2 4.44Å; E311-Y315 HydrophobicContact CG-CE2 3.82Å; E311-Y315 VanDerWaalsContact O-CD2 3.25Å; E311-Y315 WeakPolarHBondContact O-CD2 3.41Å; E311-Y315 VanDerWaalsContact O-CG 3.31Å; E311-Y315 PolarHBondContact O-N 3.07Å; E311-Y315 WeakPolarHBondContact OE1-CE2 3.3Å; E311-Y315 PolarHBondContact OE1-OH 3.35Å; V312-Y315 CarbonylContact O-C 3.38Å; V312-Y315 PolarHBondContact O-N 3.27Å; E313-Y315 VanDerWaalsContact C-N 3.34Å; E313-Y315 PolarHBondContact O-N 3.48Å; Y315-H317 VanDerWaalsContact C-N 3.34Å; Y315-Y318 WeakPolarHBondContact O-CB 3.4Å; Y315-Y318 PolarHBondContact O-N 2.88Å; Y315-R716 HydrophobicContact CD1-CB 4.37Å; Y315-R716 VanDerWaalsContact CD1-CD 3.5Å; Y315-R716 HydrophobicContact CD1-CG 3.62Å; Y315-R716 HydrophobicContact CD2-CB 4.39Å; Y315-R716 HydrophobicContact CD2-CG 3.82Å; Y315-R716 HydrophobicContact CE1-CB 4.44Å; Y315-R716 HydrophobicContact CE1-CG 4.17Å; Y315-R716 HydrophobicContact CE2-CB 4.46Å; Y315-R716 HydrophobicContact CE2-CG 4.34Å; Y315-R716 HydrophobicContact CG-CB 4.39Å; Y315-R716 HydrophobicContact CG-CG 3.47Å; Y315-R716 VanDerWaalsContact CG-CG 3.47Å; Y315-M719 HydrophobicContact CD2-CE 3.42Å; Y315-M719 VanDerWaalsContact CD2-CE 3.42Å; Y315-M719 HydrophobicContact CE2-CE 3.24Å; Y315-M719 HydrophobicContact CE2-SD 4.03Å
316K73.8Confident77.5Confident103 Ų10381.4 Ų81.445%0.44842%0.42SS..Hα-helixtrans-71.9-31.6175.5-78-178.9177.1179.40111.8V312 E313 Y318 D724V312-K316 HydrophobicContact CG1-CD 4.03Å; V312-K316 HydrophobicContact CG1-CG 4.2Å; V312-K316 WeakPolarHBondContact O-CB 3.21Å; V312-K316 WeakPolarHBondContact O-CG 3.34Å; V312-K316 PolarHBondContact O-N 3.28Å; E313-K316 PolarHBondContact O-N 3.29Å; K316-Y318 VanDerWaalsContact C-N 3.3Å; K316-D724 IonicContact NZ-OD1 3.84Å; K316-D724 PolarHBondContact NZ-OD1 3.22Å; K316-D724 IonicContact NZ-OD2 3.38Å
317H69.5Low77.4Confident136 Ų13679.8 Ų79.863%0.6341%0.414SS*.Hα-helixtrans-82.1-9172.6-67.195.9000113.2E313 E314 Y315 K319E313-H317 PolarHBondContact O-N 3Å; E313-H317 VanDerWaalsContact O-N 3.13Å; E313-H317 PolarHBondContact O-ND1 3Å; E314-H317 PolarHBondContact O-N 3.22Å; Y315-H317 VanDerWaalsContact C-N 3.34Å; H317-K319 PolarHBondContact O-N 3.43Å
318Y65.9Low77.3Confident48 Ų4882.6 Ų82.619%0.18841%0.411CS..  trans-63.4108.5175.8-175.2-110.3000110.1E314 Y315 K316 P320 F325 E708E314-Y318 PolarHBondContact O-N 3.46Å; E314-Y318 VanDerWaalsContact O-N 3.12Å; Y315-Y318 WeakPolarHBondContact O-CB 3.4Å; Y315-Y318 PolarHBondContact O-N 2.88Å; K316-Y318 VanDerWaalsContact C-N 3.3Å; Y318-P320 HydrophobicContact CD1-CG 4.1Å; Y318-P320 HydrophobicContact CE1-CB 4.47Å; Y318-P320 HydrophobicContact CE1-CG 3.95Å; Y318-P320 WeakPolarHBondContact O-CD 3.49Å; Y318-F325 HydrophobicContact CD2-CE1 4.06Å; Y318-F325 HydrophobicContact CD2-CZ 4.05Å; Y318-F325 HydrophobicContact CE2-CD1 4.13Å; Y318-F325 AromaticContact CE2-CE1 3.47Å; Y318-F325 HydrophobicContact CE2-CE1 3.47Å; Y318-F325 VanDerWaalsContact CE2-CE1 3.47Å; Y318-F325 AromaticContact CE2-CZ 3.82Å; Y318-F325 HydrophobicContact CE2-CZ 3.82Å; Y318-E708 VanDerWaalsContact CE1-OE2 3.25Å; Y318-E708 WeakPolarHBondContact CE1-OE2 3.44Å; Y318-E708 VanDerWaalsContact CZ-OE2 3.31Å; Y318-E708 PolarHBondContact OH-OE2 3.33Å
319K65.2Low77.5Confident138 Ų13881.6 Ų81.660%0.641%0.409SS*.  trans-102.9105.4172.2-71.5179.5-176.8175.40108.2H317 S321 D322H317-K319 PolarHBondContact O-N 3.43Å; K319-S321 PolarHBondContact O-N 2.82Å; K319-D322 HydrophobicContact CB-CB 4.02Å; K319-D322 PolarHBondContact O-N 2.79Å
320P61.4Low77.7Confident77 Ų7778.4 Ų78.450%0.539%0.394SS..THydrogen-bonded Turntrans-58.9-19.7178.2-21.931.2000113.4Y318 K326Y318-P320 HydrophobicContact CD1-CG 4.1Å; Y318-P320 HydrophobicContact CE1-CB 4.47Å; Y318-P320 HydrophobicContact CE1-CG 3.95Å; Y318-P320 WeakPolarHBondContact O-CD 3.49Å; P320-K326 WeakPolarHBondContact O-CE 3.4Å; P320-K326 PolarHBondContact O-NZ 3.48Å
321S65.3Low78.2Confident92 Ų9274.7 Ų74.764%0.64338%0.38SS*.THydrogen-bonded Turntrans-91.2-4.2179.255.30000114.4K319 P323K319-S321 PolarHBondContact O-N 2.82Å; S321-P323 WeakPolarHBondContact O-CD 3.24Å
322D74.9Confident78.7Confident58 Ų5875.9 Ų75.931%0.3139%0.389SS..  trans-74.6111.4-178.7-168.4-25.3000111K319 S324 F325 K326K319-D322 HydrophobicContact CB-CB 4.02Å; K319-D322 PolarHBondContact O-N 2.79Å; D322-S324 VanDerWaalsContact CG-OG 3.31Å; D322-S324 PolarHBondContact O-N 2.95Å; D322-S324 WeakPolarHBondContact OD1-CB 3.43Å; D322-S324 PolarHBondContact OD1-N 3.35Å; D322-S324 PolarHBondContact OD1-OG 3.37Å; D322-S324 PolarHBondContact OD2-OG 3.3Å; D322-F325 HydrophobicContact CB-CB 4.15Å; D322-F325 PolarHBondContact O-N 2.96Å; D322-K326 PolarHBondContact O-N 3.28Å
323P77.4Confident79.1Confident83 Ų8377.1 Ų77.154%0.53940%0.396SS..Hα-helixtrans-66.2-28.2-178.9-1934.4000112.6S321 T327S321-P323 WeakPolarHBondContact O-CD 3.24Å; P323-T327 WeakPolarHBondContact O-CB 3.37Å; P323-T327 PolarHBondContact O-N 2.89Å; P323-T327 PolarHBondContact O-OG1 3.49Å
324S81Confident79.8Confident79 Ų7972 Ų7255%0.55237%0.373SS*.Hα-helixtrans-70.9-41.1-177.872.60000111.5D322 T327 K328D322-S324 VanDerWaalsContact CG-OG 3.31Å; D322-S324 PolarHBondContact O-N 2.95Å; D322-S324 WeakPolarHBondContact OD1-CB 3.43Å; D322-S324 PolarHBondContact OD1-N 3.35Å; D322-S324 PolarHBondContact OD1-OG 3.37Å; D322-S324 PolarHBondContact OD2-OG 3.3Å; S324-T327 PolarHBondContact O-N 3.09Å; S324-K328 PolarHBondContact O-N 3.48Å
325F79.9Confident80.6Confident96 Ų9671.1 Ų71.142%0.42137%0.369SS..Hα-helixtrans-62.5-48.5174.6-179.2-89.1000111Y318 D322 T327 K328 A329Y318-F325 HydrophobicContact CD2-CE1 4.06Å; Y318-F325 HydrophobicContact CD2-CZ 4.05Å; Y318-F325 HydrophobicContact CE2-CD1 4.13Å; Y318-F325 AromaticContact CE2-CE1 3.47Å; Y318-F325 HydrophobicContact CE2-CE1 3.47Å; Y318-F325 VanDerWaalsContact CE2-CE1 3.47Å; Y318-F325 AromaticContact CE2-CZ 3.82Å; Y318-F325 HydrophobicContact CE2-CZ 3.82Å; D322-F325 HydrophobicContact CB-CB 4.15Å; D322-F325 PolarHBondContact O-N 2.96Å; F325-T327 VanDerWaalsContact C-N 3.34Å; F325-T327 PolarHBondContact O-N 3.32Å; F325-K328 PolarHBondContact O-N 2.98Å; F325-A329 HydrophobicContact CE1-CB 4.31Å; F325-A329 WeakPolarHBondContact O-CB 3.49Å; F325-A329 PolarHBondContact O-N 3.23Å
326K83.5Confident81.4Confident23 Ų2371.3 Ų71.310%0.138%0.378CS..Hα-helixtrans-60.2-42.4177.7-76-176.7173.5169.90112.5P320 D322 A329 L330 L702 N703 M706P320-K326 WeakPolarHBondContact O-CE 3.4Å; P320-K326 PolarHBondContact O-NZ 3.48Å; D322-K326 PolarHBondContact O-N 3.28Å; K326-A329 PolarHBondContact O-N 3.47Å; K326-L330 VanDerWaalsContact O-CB 3.27Å; K326-L330 WeakPolarHBondContact O-CB 3.46Å; K326-L330 PolarHBondContact O-N 2.92Å; K326-L702 HydrophobicContact CB-CD1 4.5Å; K326-L702 HydrophobicContact CB-CD2 4.12Å; K326-L702 HydrophobicContact CB-CG 4.15Å; K326-N703 PolarHBondContact NZ-OD1 3.01Å; K326-M706 HydrophobicContact CB-CB 4.24Å; K326-M706 HydrophobicContact CB-CG 4.17Å; K326-M706 HydrophobicContact CD-CB 3.95Å; K326-M706 HydrophobicContact CG-CB 3.89Å; K326-M706 HydrophobicContact CG-CG 4.38Å
327T86.9Confident82.4Confident56 Ų5666.6 Ų66.634%0.34436%0.357SS..Hα-helixtrans-60.9-46.2177-62.20000111.3P323 S324 F325 L331P323-T327 WeakPolarHBondContact O-CB 3.37Å; P323-T327 PolarHBondContact O-N 2.89Å; P323-T327 PolarHBondContact O-OG1 3.49Å; S324-T327 PolarHBondContact O-N 3.09Å; F325-T327 VanDerWaalsContact C-N 3.34Å; F325-T327 PolarHBondContact O-N 3.32Å; T327-L331 WeakPolarHBondContact O-CB 3.38Å; T327-L331 PolarHBondContact O-N 3Å
328K87Confident83.7Confident141 Ų14162.1 Ų62.161%0.61334%0.337SS*.Hα-helixtrans-66.1-43.3177.7-172.8179.3179.5-1770112S324 F325 L331 L332S324-K328 PolarHBondContact O-N 3.48Å; F325-K328 PolarHBondContact O-N 2.98Å; K328-L331 PolarHBondContact O-N 3.41Å; K328-L332 HydrophobicContact CG-CD1 4.14Å; K328-L332 WeakPolarHBondContact O-CG 3.34Å; K328-L332 PolarHBondContact O-N 3.4Å
329A86.9Confident85Confident15 Ų1565.6 Ų65.612%0.12435%0.353CS..Hα-helixtrans-64.8-42.4178.600000111.8F325 K326 L332 T333 F450 M706F325-A329 HydrophobicContact CE1-CB 4.31Å; F325-A329 WeakPolarHBondContact O-CB 3.49Å; F325-A329 PolarHBondContact O-N 3.23Å; K326-A329 PolarHBondContact O-N 3.47Å; A329-L332 PolarHBondContact O-N 3.12Å; A329-T333 WeakPolarHBondContact O-CB 3.31Å; A329-T333 PolarHBondContact O-N 2.9Å; A329-T333 PolarHBondContact O-OG1 3.35Å; A329-F450 HydrophobicContact CB-CZ 4.35Å; A329-M706 HydrophobicContact CB-CE 3.58Å
330L90.9Very high86.3Confident0 Ų059.7 Ų59.70%033%0.328CS..Hα-helixtrans-57.1-52.6173.2176.462.2000110.6K326 L332 T333 V334 L453 L693 L696 Y697 L702 L705 M706K326-L330 VanDerWaalsContact O-CB 3.27Å; K326-L330 WeakPolarHBondContact O-CB 3.46Å; K326-L330 PolarHBondContact O-N 2.92Å; L330-L332 PolarHBondContact O-N 3.38Å; L330-T333 PolarHBondContact O-N 3.34Å; L330-V334 HydrophobicContact CD1-CG2 3.94Å; L330-V334 HydrophobicContact CG-CG2 4.5Å; L330-V334 WeakPolarHBondContact O-CG2 3.43Å; L330-V334 PolarHBondContact O-N 3.23Å; L330-L453 HydrophobicContact CD1-CD1 3.42Å; L330-L453 VanDerWaalsContact CD1-CD1 3.42Å; L330-L453 HydrophobicContact CD1-CD2 3.9Å; L330-L453 HydrophobicContact CD1-CG 4.32Å; L330-L693 HydrophobicContact CD2-CD1 3.91Å; L330-L693 HydrophobicContact CG-CD1 3.85Å; L330-L696 HydrophobicContact CD1-CD1 4.43Å; L330-Y697 HydrophobicContact CD2-CE1 4.01Å; L330-Y697 HydrophobicContact CD2-CE2 4.08Å; L330-L702 HydrophobicContact CB-CD1 4.44Å; L330-L702 HydrophobicContact CD2-CD1 3.65Å; L330-L705 HydrophobicContact CD1-CD2 4.13Å; L330-M706 HydrophobicContact CB-CE 4.23Å; L330-M706 HydrophobicContact CB-CG 4.44Å; L330-M706 HydrophobicContact CB-SD 3.76Å; L330-M706 HydrophobicContact CD1-SD 3.93Å; L330-M706 HydrophobicContact CG-SD 4.41Å
331L91.6Very high87.9Confident70 Ų7056 Ų5637%0.36630%0.304SS..Hα-helixtrans-56.8-48.2-179.7179.363.8000111.9T327 K328 V334 Q335 L693T327-L331 WeakPolarHBondContact O-CB 3.38Å; T327-L331 PolarHBondContact O-N 3Å; K328-L331 PolarHBondContact O-N 3.41Å; L331-V334 PolarHBondContact O-N 2.98Å; L331-Q335 HydrophobicContact CD1-CG 4.3Å; L331-Q335 WeakPolarHBondContact O-CB 3.38Å; L331-Q335 VanDerWaalsContact O-CG 3.26Å; L331-Q335 WeakPolarHBondContact O-CG 3.43Å; L331-Q335 PolarHBondContact O-N 3.4Å; L331-L693 HydrophobicContact CD1-CD2 3.82Å
332L92Very high89.3Confident95 Ų9554 Ų5450%0.49728%0.284SS..Hα-helixtrans-65.7-38.8179.8-70.7173.5000112.4K328 A329 L330 S336K328-L332 HydrophobicContact CG-CD1 4.14Å; K328-L332 WeakPolarHBondContact O-CG 3.34Å; K328-L332 PolarHBondContact O-N 3.4Å; A329-L332 PolarHBondContact O-N 3.12Å; L330-L332 PolarHBondContact O-N 3.38Å; L332-S336 WeakPolarHBondContact O-CB 3.32Å; L332-S336 PolarHBondContact O-N 2.93Å
333T93.2Very high90.1Very high27 Ų2754.8 Ų54.817%0.16629%0.286CS..Hα-helixtrans-67.7-42.9179.6-49.60000110.7A329 L330 S336 F337 M447 L453A329-T333 WeakPolarHBondContact O-CB 3.31Å; A329-T333 PolarHBondContact O-N 2.9Å; A329-T333 PolarHBondContact O-OG1 3.35Å; L330-T333 PolarHBondContact O-N 3.34Å; T333-S336 PolarHBondContact O-N 2.97Å; T333-F337 PolarHBondContact O-N 2.8Å; T333-M447 HydrophobicContact CG2-CB 4.24Å; T333-M447 HydrophobicContact CG2-CE 3.48Å; T333-M447 VanDerWaalsContact CG2-CE 3.48Å; T333-M447 HydrophobicContact CG2-CG 3.86Å; T333-M447 HydrophobicContact CG2-SD 4.49Å; T333-L453 HydrophobicContact CG2-CD2 3.86Å
334V94.2Very high90.8Very high7 Ų752 Ų524%0.04227%0.27CS..Hα-helixtrans-66.6-42.2176.7173.80000111.5L330 L331 S336 F337 E338 L692 L693 L696L330-V334 HydrophobicContact CD1-CG2 3.94Å; L330-V334 HydrophobicContact CG-CG2 4.5Å; L330-V334 WeakPolarHBondContact O-CG2 3.43Å; L330-V334 PolarHBondContact O-N 3.23Å; L331-V334 PolarHBondContact O-N 2.98Å; V334-S336 VanDerWaalsContact C-N 3.32Å; V334-S336 PolarHBondContact O-N 3.47Å; V334-F337 PolarHBondContact O-N 3.01Å; V334-E338 PolarHBondContact O-N 3.18Å; V334-L692 HydrophobicContact CG1-CD2 3.98Å; V334-L692 HydrophobicContact CG1-CG 4.29Å; V334-L693 HydrophobicContact CG1-CB 4.35Å; V334-L693 HydrophobicContact CG2-CD1 4.23Å; V334-L696 HydrophobicContact CG2-CD1 3.52Å
335Q94.6Very high91.4Very high95 Ų9549 Ų4944%0.44425%0.248SC..Hα-helixtrans-63.1-37.4174.5-76.5177.6-17.200112.5L331 K339L331-Q335 HydrophobicContact CD1-CG 4.3Å; L331-Q335 WeakPolarHBondContact O-CB 3.38Å; L331-Q335 VanDerWaalsContact O-CG 3.26Å; L331-Q335 WeakPolarHBondContact O-CG 3.43Å; L331-Q335 PolarHBondContact O-N 3.4Å; Q335-K339 WeakPolarHBondContact O-CB 3.48Å; Q335-K339 PolarHBondContact O-N 3.04Å
336S93.7Very high92Very high59 Ų5949.1 Ų49.141%0.41325%0.253SS..Hα-helixtrans-63.1-47.9173.1-168.30000110.7L332 T333 V334 E338 K339 D340L332-S336 WeakPolarHBondContact O-CB 3.32Å; L332-S336 PolarHBondContact O-N 2.93Å; T333-S336 PolarHBondContact O-N 2.97Å; V334-S336 VanDerWaalsContact C-N 3.32Å; V334-S336 PolarHBondContact O-N 3.47Å; S336-E338 PolarHBondContact O-N 3.02Å; S336-K339 PolarHBondContact O-N 3.04Å; S336-D340 WeakPolarHBondContact O-CB 3.47Å; S336-D340 PolarHBondContact O-N 2.9Å; S336-D340 VanDerWaalsContact O-OD2 3.13Å; S336-D340 PolarHBondContact OG-OD2 2.9Å
337F96.2Very high92Very high3 Ų349.7 Ų49.71%0.01327%0.265CS..Hα-helixtrans-59-43.9178172.6-106.5000112.8T333 V334 D340 F341 V440 C443 T444 M447 T457 V461 L688 L692T333-F337 PolarHBondContact O-N 2.8Å; V334-F337 PolarHBondContact O-N 3.01Å; F337-D340 PolarHBondContact O-N 2.98Å; F337-F341 WeakPolarHBondContact O-CB 3.36Å; F337-F341 PolarHBondContact O-N 3.03Å; F337-V440 HydrophobicContact CZ-CG1 4.31Å; F337-C443 HydrophobicContact CD2-CB 3.67Å; F337-C443 HydrophobicContact CE2-CB 3.48Å; F337-C443 VanDerWaalsContact CE2-CB 3.48Å; F337-T444 HydrophobicContact CD2-CG2 3.95Å; F337-T444 HydrophobicContact CE2-CG2 3.37Å; F337-T444 HydrophobicContact CZ-CG2 3.89Å; F337-M447 HydrophobicContact CB-SD 4.26Å; F337-M447 HydrophobicContact CD2-SD 4.29Å; F337-M447 HydrophobicContact CG-SD 4.34Å; F337-T457 HydrophobicContact CD1-CG2 3.87Å; F337-T457 HydrophobicContact CE1-CG2 3.69Å; F337-T457 HydrophobicContact CE2-CG2 4.49Å; F337-T457 HydrophobicContact CG-CG2 4.32Å; F337-T457 HydrophobicContact CZ-CG2 4.05Å; F337-V461 HydrophobicContact CE1-CG2 4Å; F337-V461 HydrophobicContact CZ-CG2 4.24Å; F337-L688 HydrophobicContact CD1-CD2 4.32Å; F337-L688 HydrophobicContact CE1-CD1 4.32Å; F337-L688 HydrophobicContact CE1-CD2 3.55Å; F337-L688 HydrophobicContact CZ-CD2 4.39Å; F337-L692 HydrophobicContact CD1-CD2 3.69Å; F337-L692 HydrophobicContact CE1-CD2 3.77Å
338E95.4Very high91.2Very high43 Ų4350.2 Ų50.220%0.20128%0.281CS..Hα-helixtrans-56.6-53.1173.9-180-163.1163.200110.9V334 S336 D340 F341 H342 L688 K689V334-E338 PolarHBondContact O-N 3.18Å; S336-E338 PolarHBondContact O-N 3.02Å; E338-D340 VanDerWaalsContact C-N 3.27Å; E338-D340 PolarHBondContact O-N 3.4Å; E338-F341 PolarHBondContact O-N 3.4Å; E338-H342 PolarHBondContact O-CD2 3.41Å; E338-H342 PolarHBondContact O-N 3.37Å; E338-L688 HydrophobicContact CG-CB 4.28Å; E338-K689 WeakPolarHBondContact OE1-CB 3.12Å; E338-K689 WeakPolarHBondContact OE1-CG 3.46Å
339K93.6Very high90.2Very high121 Ų12145.1 Ų45.153%0.52627%0.269SS..Hα-helixtrans-59.4-40.9-179.8-178.6179.6176.9-178.70111.9Q335 S336 H342 H343Q335-K339 WeakPolarHBondContact O-CB 3.48Å; Q335-K339 PolarHBondContact O-N 3.04Å; S336-K339 PolarHBondContact O-N 3.04Å; K339-H342 PolarHBondContact O-N 2.84Å; K339-H343 VanDerWaalsContact CE-CE1 3.5Å; K339-H343 WeakPolarHBondContact CE-CE1 3.35Å; K339-H343 PolarHBondContact O-N 3.49Å
340D93Very high89.3Confident14 Ų1451 Ų518%0.07531%0.309CS..Hα-helixtrans-64.9-44.2179.9-76.6-26.1000112.3S336 F337 E338 H343 A344 C443 R446S336-D340 WeakPolarHBondContact O-CB 3.47Å; S336-D340 PolarHBondContact O-N 2.9Å; S336-D340 VanDerWaalsContact O-OD2 3.13Å; S336-D340 PolarHBondContact OG-OD2 2.9Å; F337-D340 PolarHBondContact O-N 2.98Å; E338-D340 VanDerWaalsContact C-N 3.27Å; E338-D340 PolarHBondContact O-N 3.4Å; D340-H343 PolarHBondContact O-N 3.47Å; D340-A344 WeakPolarHBondContact O-CB 3.39Å; D340-A344 PolarHBondContact O-N 2.95Å; D340-C443 HydrophobicContact CB-CB 4.42Å; D340-R446 IonicContact OD1-CZ 3.91Å; D340-R446 IonicContact OD1-NH1 2.81Å; D340-R446 PolarHBondContact OD1-NH1 2.9Å; D340-R446 IonicContact OD1-NH2 2.67Å; D340-R446 PolarHBondContact OD1-NH2 2.92Å; D340-R446 VanDerWaalsContact OD1-NH2 3.07Å; D340-R446 IonicContact OD2-CZ 2.83Å; D340-R446 IonicContact OD2-NE 2.97Å; D340-R446 PolarHBondContact OD2-NE 3.43Å; D340-R446 IonicContact OD2-NH1 3.07Å; D340-R446 PolarHBondContact OD2-NH1 3.45Å; D340-R446 IonicContact OD2-NH2 3.06Å; D340-R446 PolarHBondContact OD2-NH2 2.85Å
341F95.5Very high88.2Confident0 Ų059.3 Ų59.30%035%0.348CS..Hα-helixtrans-62.7-44.3173.2-175.5-89.2000111.6F337 E338 H343 A344 I345 L436 I439 V440 I684 K685 L688F337-F341 WeakPolarHBondContact O-CB 3.36Å; F337-F341 PolarHBondContact O-N 3.03Å; E338-F341 PolarHBondContact O-N 3.4Å; F341-H343 PolarHBondContact O-N 3.34Å; F341-A344 PolarHBondContact O-N 3.37Å; F341-I345 HydrophobicContact CD1-CG1 4.19Å; F341-I345 HydrophobicContact CE1-CG1 3.78Å; F341-I345 HydrophobicContact CZ-CD1 4.26Å; F341-I345 HydrophobicContact CZ-CG1 3.97Å; F341-I345 WeakPolarHBondContact O-CG1 3.29Å; F341-I345 PolarHBondContact O-N 2.93Å; F341-I345 VanDerWaalsContact O-N 3.12Å; F341-L436 HydrophobicContact CZ-CD2 4.01Å; F341-I439 HydrophobicContact CD2-CG2 3.72Å; F341-I439 HydrophobicContact CE2-CB 4.46Å; F341-I439 HydrophobicContact CE2-CG2 3.84Å; F341-V440 HydrophobicContact CD2-CG2 4.12Å; F341-V440 HydrophobicContact CE2-CG2 3.78Å; F341-I684 HydrophobicContact CE1-CG2 3.81Å; F341-I684 HydrophobicContact CE2-CG2 4.26Å; F341-I684 HydrophobicContact CZ-CB 4.43Å; F341-I684 HydrophobicContact CZ-CG2 3.56Å; F341-K685 HydrophobicContact CD1-CG 4.35Å; F341-K685 HydrophobicContact CE1-CG 4.05Å; F341-L688 HydrophobicContact CB-CD1 3.67Å; F341-L688 HydrophobicContact CD1-CD1 3.39Å; F341-L688 HydrophobicContact CD2-CD1 4.05Å; F341-L688 HydrophobicContact CE1-CD1 4.01Å; F341-L688 HydrophobicContact CG-CD1 3.41Å; F341-L688 VanDerWaalsContact CG-CD1 3.41Å
342H93.7Very high87.5Confident49 Ų4963.1 Ų63.123%0.22737%0.367CS..Hα-helixtrans-58.3-47.1175.3-92.4-84.6000112.1E338 K339 A344 I345 D346E338-H342 PolarHBondContact O-CD2 3.41Å; E338-H342 PolarHBondContact O-N 3.37Å; K339-H342 PolarHBondContact O-N 2.84Å; H342-A344 VanDerWaalsContact C-N 3.32Å; H342-A344 PolarHBondContact O-N 3.3Å; H342-I345 PolarHBondContact O-N 3.35Å; H342-D346 IonicContact ND1-OD2 3.75Å; H342-D346 PolarHBondContact ND1-OD2 3.14Å; H342-D346 WeakPolarHBondContact O-CB 3.45Å; H342-D346 PolarHBondContact O-N 3.45Å
343H92Very high86.7Confident75 Ų7562.9 Ų62.935%0.34737%0.367SS..Hα-helixtrans-62.2-37.6176.7-76.5-170.3000112.8K339 D340 F341 I345 G347K339-H343 VanDerWaalsContact CE-CE1 3.5Å; K339-H343 WeakPolarHBondContact CE-CE1 3.35Å; K339-H343 PolarHBondContact O-N 3.49Å; D340-H343 PolarHBondContact O-N 3.47Å; F341-H343 PolarHBondContact O-N 3.34Å; H343-I345 VanDerWaalsContact C-N 3.32Å; H343-I345 PolarHBondContact O-N 3.16Å; H343-G347 VanDerWaalsContact O-CA 3.29Å; H343-G347 WeakPolarHBondContact O-CA 3.29Å; H343-G347 PolarHBondContact O-N 3.4Å
344A92.6Very high86.2Confident25 Ų2567.9 Ų67.921%0.20740%0.397CS..Hα-helixtrans-66.9-32178.500000113D340 F341 H342 G359 G360 I439D340-A344 WeakPolarHBondContact O-CB 3.39Å; D340-A344 PolarHBondContact O-N 2.95Å; F341-A344 PolarHBondContact O-N 3.37Å; H342-A344 VanDerWaalsContact C-N 3.32Å; H342-A344 PolarHBondContact O-N 3.3Å; A344-G359 PolarHBondContact O-N 3.24Å; A344-G360 PolarHBondContact O-N 2.75Å; A344-I439 HydrophobicContact CB-CG2 3.58Å
345I93.9Very high85.6Confident15 Ų1576.5 Ų76.58%0.07743%0.434CS..Hα-helixtrans-89.2-50.6-180-63.4-70.8000112.4F341 H342 H343 G360 I363 L436 I439 V681F341-I345 HydrophobicContact CD1-CG1 4.19Å; F341-I345 HydrophobicContact CE1-CG1 3.78Å; F341-I345 HydrophobicContact CZ-CD1 4.26Å; F341-I345 HydrophobicContact CZ-CG1 3.97Å; F341-I345 WeakPolarHBondContact O-CG1 3.29Å; F341-I345 PolarHBondContact O-N 2.93Å; F341-I345 VanDerWaalsContact O-N 3.12Å; H342-I345 PolarHBondContact O-N 3.35Å; H343-I345 VanDerWaalsContact C-N 3.32Å; H343-I345 PolarHBondContact O-N 3.16Å; I345-G360 VanDerWaalsContact O-CA 3.24Å; I345-G360 WeakPolarHBondContact O-CA 3.48Å; I345-I363 HydrophobicContact CD1-CD1 3.73Å; I345-L436 HydrophobicContact CD1-CD2 3.79Å; I345-I439 HydrophobicContact CD1-CD1 3.46Å; I345-I439 VanDerWaalsContact CD1-CD1 3.46Å; I345-I439 HydrophobicContact CG1-CD1 4.47Å; I345-V681 HydrophobicContact CG2-CG1 3.69Å
346D91.5Very high85.1Confident99 Ų9976.3 Ų76.353%0.52944%0.44SS..Hα-helixtrans-82.2-20.5-173.1-66.8-35.3000112.3H342 K685H342-D346 IonicContact ND1-OD2 3.75Å; H342-D346 PolarHBondContact ND1-OD2 3.14Å; H342-D346 WeakPolarHBondContact O-CB 3.45Å; H342-D346 PolarHBondContact O-N 3.45Å; D346-K685 IonicContact OD1-NZ 2.68Å; D346-K685 PolarHBondContact OD1-NZ 3.15Å; D346-K685 IonicContact OD2-NZ 3.12Å; D346-K685 PolarHBondContact OD2-NZ 2.82Å
347G83Confident84.7Confident34 Ų3478.3 Ų78.335%0.35145%0.445SS..  trans69.8168.7-162.700000111.4H343H343-G347 VanDerWaalsContact O-CA 3.29Å; H343-G347 WeakPolarHBondContact O-CA 3.29Å; H343-G347 PolarHBondContact O-N 3.4Å
348G71.6Confident84.4Confident67 Ų6780.5 Ų80.569%0.69146%0.461SS*.  trans114.331.2174.300000116.7
349G66.2Low84.2Confident34 Ų3479 Ų7935%0.35146%0.457SS..  trans-64.1158.8163.500000112.2E351G349-E351 PolarHBondContact O-N 3.07Å
350S67.8Low84.2Confident138 Ų13873.9 Ų73.997%0.96544%0.438SS*.SBendtrans-58.7-28172.3-52.40000112.3
351E67.9Low84.2Confident176 Ų17674.9 Ų74.982%0.82245%0.449SS*.SBendtrans-112.4127.4174.3-64.2-176.6171.200108.9G349G349-E351 PolarHBondContact O-N 3.07Å
352I75.6Confident84.2Confident149 Ų14977.1 Ų77.176%0.76446%0.46SS*.  trans-87.8114.8174.1-59.6173.4000107T354I352-T354 PolarHBondContact O-N 2.69Å
353D75.2Confident84.3Confident91 Ų9175 Ų7549%0.48745%0.451SS..  trans-65.2123.5171.6-168.2-10.4000109.3K355 T356D353-K355 PolarHBondContact OD1-N 3.04Å; D353-T356 PolarHBondContact OD1-N 2.86Å; D353-T356 PolarHBondContact OD2-OG1 3.34Å
354T82.4Confident84.5Confident132 Ų13275.5 Ų75.581%0.8146%0.456SS*.SBendtrans-99.5-3.8-179.851.30000112.9I352I352-T354 PolarHBondContact O-N 2.69Å
355K82.6Confident84.6Confident188 Ų18877 Ų7782%0.81746%0.456SS*.SBendtrans-106.9-32.7-175.7-64-178.8179.7177.20112.5D353D353-K355 PolarHBondContact OD1-N 3.04Å
356T84.3Confident84.7Confident91 Ų9177.1 Ų77.156%0.55846%0.457SS*.SBendtrans-124.9148.3-176.777.70000111.9D353D353-T356 PolarHBondContact OD1-N 2.86Å; D353-T356 PolarHBondContact OD2-OG1 3.34Å
357L85.7Confident84.9Confident101 Ų10173 Ų7353%0.52943%0.434SS..  trans-81.7138.1174.9-67176.4000109.5A361 L362L357-A361 HydrophobicContact CB-CB 4.19Å; L357-A361 HydrophobicContact CD2-CB 4.29Å; L357-L362 HydrophobicContact CB-CD2 4.03Å; L357-L362 HydrophobicContact CB-CG 4.17Å; L357-L362 HydrophobicContact CD1-CD2 3.89Å
358S90.2Very high85.4Confident49 Ų4977.8 Ų77.834%0.34345%0.447SS..  trans-66.3157.8171.467.90000111.3G360 A361 L362S358-G360 PolarHBondContact O-N 3.07Å; S358-A361 WeakPolarHBondContact O-CA 3.35Å; S358-A361 WeakPolarHBondContact O-CB 3.46Å; S358-A361 PolarHBondContact O-N 2.89Å; S358-A361 PolarHBondContact OG-N 2.92Å; S358-L362 PolarHBondContact O-N 3.45Å
359G90.6Very high86.4Confident11 Ų1178.6 Ų78.611%0.11343%0.433CS..Hα-helixtrans-55.7-39.2175.200000112.9A344 A361 L362 I363A344-G359 PolarHBondContact O-N 3.24Å; G359-A361 PolarHBondContact O-N 3.45Å; G359-L362 PolarHBondContact O-N 2.93Å; G359-I363 WeakPolarHBondContact O-CG1 3.5Å; G359-I363 PolarHBondContact O-N 3.32Å
360G94Very high87.5Confident13 Ų1380 Ų8013%0.13443%0.428CS..Hα-helixtrans-60.6-40.7171.900000114.2A344 I345 S358 L362 I363 N364A344-G360 PolarHBondContact O-N 2.75Å; I345-G360 VanDerWaalsContact O-CA 3.24Å; I345-G360 WeakPolarHBondContact O-CA 3.48Å; S358-G360 PolarHBondContact O-N 3.07Å; G360-L362 VanDerWaalsContact C-N 3.33Å; G360-I363 PolarHBondContact O-N 2.9Å; G360-N364 WeakPolarHBondContact O-CB 3.48Å; G360-N364 PolarHBondContact O-N 3.49Å
361A92.9Very high88.7Confident36 Ų3673.5 Ų73.530%0.29838%0.382SS..Hα-helixtrans-65.7-3717600000111.9L357 S358 G359 N364 R365L357-A361 HydrophobicContact CB-CB 4.19Å; L357-A361 HydrophobicContact CD2-CB 4.29Å; S358-A361 WeakPolarHBondContact O-CA 3.35Å; S358-A361 WeakPolarHBondContact O-CB 3.46Å; S358-A361 PolarHBondContact O-N 2.89Å; S358-A361 PolarHBondContact OG-N 2.92Å; G359-A361 PolarHBondContact O-N 3.45Å; A361-N364 PolarHBondContact O-N 3.43Å; A361-R365 PolarHBondContact O-N 2.76Å
362L94.2Very high89.9Confident46 Ų4666.6 Ų66.624%0.24135%0.352CS..Hα-helixtrans-66.9-42.6174.6-64.8173.9000112.1L357 S358 G359 G360 N364 R365 I366 Q435L357-L362 HydrophobicContact CB-CD2 4.03Å; L357-L362 HydrophobicContact CB-CG 4.17Å; L357-L362 HydrophobicContact CD1-CD2 3.89Å; S358-L362 PolarHBondContact O-N 3.45Å; G359-L362 PolarHBondContact O-N 2.93Å; G360-L362 VanDerWaalsContact C-N 3.33Å; L362-N364 VanDerWaalsContact C-N 3.32Å; L362-N364 PolarHBondContact O-N 3.41Å; L362-R365 WeakPolarHBondContact O-CB 3.2Å; L362-R365 PolarHBondContact O-N 3.31Å; L362-I366 WeakPolarHBondContact O-CG1 3.5Å; L362-I366 PolarHBondContact O-N 3.11Å; L362-Q435 VanDerWaalsContact CD1-OE1 3.31Å
363I96.5Very high90.4Very high6 Ų660.4 Ų60.43%0.03132%0.319CS..Hα-helixtrans-59.7-44.8172.5-69.5168.9000110.6I345 G359 G360 R365 I366 F367 V432 Q435 L436 I439I345-I363 HydrophobicContact CD1-CD1 3.73Å; G359-I363 WeakPolarHBondContact O-CG1 3.5Å; G359-I363 PolarHBondContact O-N 3.32Å; G360-I363 PolarHBondContact O-N 2.9Å; I363-R365 VanDerWaalsContact C-N 3.26Å; I363-R365 PolarHBondContact O-N 3.4Å; I363-I366 WeakPolarHBondContact O-CB 3.45Å; I363-I366 PolarHBondContact O-N 2.68Å; I363-I366 VanDerWaalsContact O-N 3.09Å; I363-F367 HydrophobicContact CG2-CD2 4.13Å; I363-F367 HydrophobicContact CG2-CE2 3.48Å; I363-F367 VanDerWaalsContact CG2-CE2 3.48Å; I363-F367 HydrophobicContact CG2-CZ 3.75Å; I363-F367 PolarHBondContact O-N 3.41Å; I363-V432 HydrophobicContact CG2-CG2 4.38Å; I363-Q435 HydrophobicContact CG1-CB 4Å; I363-L436 HydrophobicContact CD1-CD2 4.01Å; I363-L436 HydrophobicContact CD1-CG 4.29Å; I363-I439 HydrophobicContact CD1-CD1 4.31Å
364N95.1Very high91Very high85 Ų8557 Ų5746%0.45530%0.301SS..Hα-helixtrans-60.9-36.9178.7-164.312.5000112.3G360 A361 L362 F367 H368G360-N364 WeakPolarHBondContact O-CB 3.48Å; G360-N364 PolarHBondContact O-N 3.49Å; A361-N364 PolarHBondContact O-N 3.43Å; L362-N364 VanDerWaalsContact C-N 3.32Å; L362-N364 PolarHBondContact O-N 3.41Å; N364-F367 PolarHBondContact O-N 3.31Å; N364-H368 PolarHBondContact O-N 3.23Å; N364-H368 PolarHBondContact O-ND1 3.35Å; N364-H368 VanDerWaalsContact O-ND1 3.13Å; N364-H368 PolarHBondContact OD1-CE1 2.93Å; N364-H368 PolarHBondContact OD1-ND1 2.91Å
365R94.6Very high91.3Very high56 Ų5650.7 Ų50.721%0.21126%0.262CS..Hα-helixtrans-65.6-38.8174-171.2176-178.7179.2-18.4112.7A361 L362 I363 F367 E369 R370 E607A361-R365 PolarHBondContact O-N 2.76Å; L362-R365 WeakPolarHBondContact O-CB 3.2Å; L362-R365 PolarHBondContact O-N 3.31Å; I363-R365 VanDerWaalsContact C-N 3.26Å; I363-R365 PolarHBondContact O-N 3.4Å; R365-F367 VanDerWaalsContact C-N 3.28Å; R365-F367 PolarHBondContact O-N 2.97Å; R365-E369 HydrophobicContact CG-CB 4.16Å; R365-E369 HydrophobicContact CG-CG 4.04Å; R365-E369 WeakPolarHBondContact CG-OE2 3.42Å; R365-E369 IonicContact CZ-OE2 3.86Å; R365-E369 IonicContact NE-OE2 3.43Å; R365-E369 PolarHBondContact NE-OE2 3.44Å; R365-E369 IonicContact NH2-OE2 3.87Å; R365-E369 WeakPolarHBondContact O-CA 3.27Å; R365-E369 WeakPolarHBondContact O-CB 3.41Å; R365-E369 PolarHBondContact O-N 2.9Å; R365-R370 PolarHBondContact O-N 2.94Å; R365-E607 IonicContact CZ-OE1 3.79Å; R365-E607 IonicContact NE-OE1 2.67Å; R365-E607 IonicContact NH1-OE1 3.67Å; R365-E607 PolarHBondContact NH1-OE1 3.43Å; R365-E607 IonicContact NH1-OE2 3.65Å; R365-E607 PolarHBondContact NH2-O 3.07Å; R365-E607 IonicContact NH2-OE1 3.16Å; R365-E607 PolarHBondContact NH2-OE1 3.32Å
366I96.1Very high91.2Very high18 Ų1844.7 Ų44.79%0.09224%0.239CC..Iπ-helixtrans-58.1-45.3174.4-67.9163000110L362 I363 R370 L371 L431 V432 Q435L362-I366 WeakPolarHBondContact O-CG1 3.5Å; L362-I366 PolarHBondContact O-N 3.11Å; I363-I366 WeakPolarHBondContact O-CB 3.45Å; I363-I366 PolarHBondContact O-N 2.68Å; I363-I366 VanDerWaalsContact O-N 3.09Å; I366-R370 WeakPolarHBondContact O-CB 3.41Å; I366-R370 PolarHBondContact O-N 3.45Å; I366-L371 PolarHBondContact O-N 2.92Å; I366-L431 HydrophobicContact CD1-CB 3.8Å; I366-L431 HydrophobicContact CG1-CB 4.23Å; I366-L431 HydrophobicContact CG2-CB 4.01Å; I366-L431 HydrophobicContact CG2-CD1 4.29Å; I366-V432 HydrophobicContact CD1-CG2 4.37Å; I366-V432 HydrophobicContact CG2-CG2 4.06Å; I366-Q435 HydrophobicContact CD1-CG 3.55Å
367F97Very high90.8Very high13 Ų1344.5 Ų44.56%0.05723%0.23CC..Iπ-helixtrans-68.5-43.9-179.6-62.4-30.8000114.1I363 N364 R365 P372 V432 P673 L676 M677I363-F367 HydrophobicContact CG2-CD2 4.13Å; I363-F367 HydrophobicContact CG2-CE2 3.48Å; I363-F367 VanDerWaalsContact CG2-CE2 3.48Å; I363-F367 HydrophobicContact CG2-CZ 3.75Å; I363-F367 PolarHBondContact O-N 3.41Å; N364-F367 PolarHBondContact O-N 3.31Å; R365-F367 VanDerWaalsContact C-N 3.28Å; R365-F367 PolarHBondContact O-N 2.97Å; F367-P372 WeakPolarHBondContact O-CD 3.37Å; F367-V432 HydrophobicContact CD1-CG2 4.44Å; F367-V432 HydrophobicContact CE1-CG2 3.57Å; F367-V432 HydrophobicContact CZ-CG2 3.9Å; F367-P673 HydrophobicContact CB-CB 4.13Å; F367-P673 HydrophobicContact CB-CG 4Å; F367-P673 HydrophobicContact CD1-CB 3.86Å; F367-P673 HydrophobicContact CD1-CG 3.95Å; F367-P673 HydrophobicContact CD2-CB 3.92Å; F367-P673 HydrophobicContact CE1-CB 4.19Å; F367-P673 HydrophobicContact CE2-CB 4.24Å; F367-P673 HydrophobicContact CG-CB 3.72Å; F367-P673 HydrophobicContact CG-CG 3.98Å; F367-P673 HydrophobicContact CZ-CB 4.38Å; F367-L676 HydrophobicContact CE1-CB 4.2Å; F367-L676 HydrophobicContact CE1-CD1 3.8Å; F367-L676 HydrophobicContact CZ-CB 4.07Å; F367-L676 HydrophobicContact CZ-CD1 4.49Å; F367-M677 HydrophobicContact CE2-CG 3.9Å; F367-M677 HydrophobicContact CE2-SD 3.85Å; F367-M677 HydrophobicContact CZ-CG 4.34Å; F367-M677 HydrophobicContact CZ-SD 4.38Å
368H93.2Very high90.2Very high133 Ų13341.1 Ų41.162%0.61621%0.212SC*.Iπ-helixtrans-98.2-15.1-169.9-67.590.8000114.8N364N364-H368 PolarHBondContact O-N 3.23Å; N364-H368 PolarHBondContact O-ND1 3.35Å; N364-H368 VanDerWaalsContact O-ND1 3.13Å; N364-H368 PolarHBondContact OD1-CE1 2.93Å; N364-H368 PolarHBondContact OD1-ND1 2.91Å
369E91.6Very high88.9Confident85 Ų8542.3 Ų42.340%0.39721%0.213SC..Iπ-helixtrans-116.6-51.6177.6-59.1-175.8-173.500111.4R365 Y373R365-E369 HydrophobicContact CG-CB 4.16Å; R365-E369 HydrophobicContact CG-CG 4.04Å; R365-E369 WeakPolarHBondContact CG-OE2 3.42Å; R365-E369 IonicContact CZ-OE2 3.86Å; R365-E369 IonicContact NE-OE2 3.43Å; R365-E369 PolarHBondContact NE-OE2 3.44Å; R365-E369 IonicContact NH2-OE2 3.87Å; R365-E369 WeakPolarHBondContact O-CA 3.27Å; R365-E369 WeakPolarHBondContact O-CB 3.41Å; R365-E369 PolarHBondContact O-N 2.9Å; E369-Y373 VanDerWaalsContact O-CB 3.24Å; E369-Y373 WeakPolarHBondContact O-CB 3.25Å; E369-Y373 PolarHBondContact O-N 3.19Å
370R89.4Confident87.4Confident63 Ų6344.4 Ų44.424%0.23822%0.223CC..Iπ-helixtrans-76-47.9-170.5-172.252.5174.2-153.3-9.9112.8R365 I366 Y373 E374 L431 D610R365-R370 PolarHBondContact O-N 2.94Å; I366-R370 WeakPolarHBondContact O-CB 3.41Å; I366-R370 PolarHBondContact O-N 3.45Å; R370-Y373 WeakPolarHBondContact O-CB 3.18Å; R370-Y373 PolarHBondContact O-N 3.38Å; R370-E374 HydrophobicContact CG-CG 4.28Å; R370-E374 IonicContact CZ-OE1 3.06Å; R370-E374 IonicContact NE-OE1 2.72Å; R370-E374 PolarHBondContact NE-OE1 3.34Å; R370-E374 IonicContact NH2-OE1 3.07Å; R370-E374 PolarHBondContact NH2-OE1 2.97Å; R370-E374 VanDerWaalsContact O-CG 3.31Å; R370-E374 WeakPolarHBondContact O-CG 3.45Å; R370-E374 PolarHBondContact O-N 3.07Å; R370-L431 HydrophobicContact CG-CD1 3.69Å; R370-D610 IonicContact CZ-OD2 3.98Å; R370-D610 IonicContact NH1-OD2 3.49Å; R370-D610 PolarHBondContact NH1-OD2 3.44Å
371L94.4Very high86.2Confident2 Ų246 Ų461%0.0123%0.229CC..Hα-helixtrans-61.4-48.6-179.3171.965.9000112.2I366 Y373 E374 M375 C428 L669 V672 P673I366-L371 PolarHBondContact O-N 2.92Å; L371-Y373 VanDerWaalsContact C-N 3.3Å; L371-Y373 PolarHBondContact O-N 3.1Å; L371-E374 PolarHBondContact O-N 3.24Å; L371-M375 HydrophobicContact CD1-CE 3.94Å; L371-M375 WeakPolarHBondContact O-CB 3.42Å; L371-M375 PolarHBondContact O-N 2.99Å; L371-C428 HydrophobicContact CB-CB 4.36Å; L371-C428 HydrophobicContact CD1-CB 3.92Å; L371-L669 HydrophobicContact CD1-CD2 4.42Å; L371-L669 HydrophobicContact CD2-CD2 3.98Å; L371-L669 HydrophobicContact CG-CD2 3.62Å; L371-V672 HydrophobicContact CD2-CB 4.13Å; L371-V672 HydrophobicContact CD2-CG1 4.04Å; L371-P673 HydrophobicContact CD2-CG 4.1Å
372P91.9Very high85.5Confident31 Ų3148 Ų4820%0.20123%0.232CC..Hα-helixtrans-58.1-40.2174.3-26.834.5000113.3F367 M375 N376 L669F367-P372 WeakPolarHBondContact O-CD 3.37Å; P372-M375 PolarHBondContact O-N 3.42Å; P372-N376 WeakPolarHBondContact O-CB 3.36Å; P372-N376 VanDerWaalsContact O-CG 3.26Å; P372-N376 PolarHBondContact O-N 3.21Å; P372-N376 PolarHBondContact O-ND2 3.11Å; P372-L669 HydrophobicContact CB-CD1 4.3Å; P372-L669 HydrophobicContact CB-CD2 4.34Å; P372-L669 HydrophobicContact CG-CD1 4.38Å; P372-L669 HydrophobicContact CG-CD2 4.05Å
373Y87.4Confident84.7Confident18 Ų1852.6 Ų52.67%0.07125%0.252CS..Hα-helixtrans-62.1-45.4176.6172.8-101.4000112.4E369 R370 L371 M375 K377 K613 A614 L617E369-Y373 VanDerWaalsContact O-CB 3.24Å; E369-Y373 WeakPolarHBondContact O-CB 3.25Å; E369-Y373 PolarHBondContact O-N 3.19Å; R370-Y373 WeakPolarHBondContact O-CB 3.18Å; R370-Y373 PolarHBondContact O-N 3.38Å; L371-Y373 VanDerWaalsContact C-N 3.3Å; L371-Y373 PolarHBondContact O-N 3.1Å; Y373-M375 VanDerWaalsContact C-N 3.34Å; Y373-K377 HydrophobicContact CE1-CD 4.24Å; Y373-K377 VanDerWaalsContact CE1-NZ 3.25Å; Y373-K377 PolarHBondContact O-N 3.49Å; Y373-K377 WeakPolarHBondContact OH-CE 3.28Å; Y373-K377 PolarHBondContact OH-NZ 2.9Å; Y373-K613 HydrophobicContact CE2-CB 4.38Å; Y373-A614 HydrophobicContact CD2-CB 4.28Å; Y373-L617 HydrophobicContact CD2-CD1 3.28Å; Y373-L617 HydrophobicContact CE2-CD1 3.36Å
374E87.1Confident84.1Confident20 Ų2057 Ų579%0.09327%0.273CS..Hα-helixtrans-71.1-30178.7-63.2-74.9-163.100112.2R370 L371 K377 P424 K427R370-E374 HydrophobicContact CG-CG 4.28Å; R370-E374 IonicContact CZ-OE1 3.06Å; R370-E374 IonicContact NE-OE1 2.72Å; R370-E374 PolarHBondContact NE-OE1 3.34Å; R370-E374 IonicContact NH2-OE1 3.07Å; R370-E374 PolarHBondContact NH2-OE1 2.97Å; R370-E374 VanDerWaalsContact O-CG 3.31Å; R370-E374 WeakPolarHBondContact O-CG 3.45Å; R370-E374 PolarHBondContact O-N 3.07Å; L371-E374 PolarHBondContact O-N 3.24Å; E374-K377 IonicContact OE2-NZ 3.32Å; E374-P424 HydrophobicContact CB-CB 3.69Å; E374-K427 HydrophobicContact CG-CD 4.47Å; E374-K427 VanDerWaalsContact OE1-CE 3.32Å; E374-K427 WeakPolarHBondContact OE1-CE 2.93Å; E374-K427 IonicContact OE1-NZ 2.83Å; E374-K427 PolarHBondContact OE1-NZ 3.49Å; E374-K427 IonicContact OE2-NZ 2.72Å
375M88.6Confident83.7Confident0 Ų054.3 Ų54.30%026%0.258CS..Hα-helixtrans-70.3-45.6175.8-156.166.274.100111.6L371 P372 Y373 K377 I378 M421 P424 I665 Q668 L669L371-M375 HydrophobicContact CD1-CE 3.94Å; L371-M375 WeakPolarHBondContact O-CB 3.42Å; L371-M375 PolarHBondContact O-N 2.99Å; P372-M375 PolarHBondContact O-N 3.42Å; Y373-M375 VanDerWaalsContact C-N 3.34Å; M375-K377 PolarHBondContact O-N 3.47Å; M375-I378 WeakPolarHBondContact O-CB 3.21Å; M375-I378 PolarHBondContact O-N 3.44Å; M375-I378 HydrophobicContact SD-CD1 3.97Å; M375-M421 HydrophobicContact CE-CE 4.12Å; M375-M421 HydrophobicContact SD-CB 3.87Å; M375-M421 HydrophobicContact SD-CE 3.8Å; M375-M421 HydrophobicContact SD-CG 3.72Å; M375-M421 HydrophobicContact SD-SD 4.41Å; M375-P424 HydrophobicContact CE-CG 4.06Å; M375-P424 HydrophobicContact SD-CB 4.5Å; M375-P424 HydrophobicContact SD-CG 3.67Å; M375-I665 HydrophobicContact CG-CB 4.36Å; M375-I665 HydrophobicContact CG-CD1 4.31Å; M375-I665 HydrophobicContact CG-CG1 3.93Å; M375-I665 HydrophobicContact CG-CG2 3.79Å; M375-Q668 HydrophobicContact CE-CB 4.27Å; M375-Q668 HydrophobicContact CE-CG 3.75Å; M375-L669 HydrophobicContact CB-CD2 4.24Å; M375-L669 HydrophobicContact CE-CD2 4.45Å
376N80.5Confident83.4Confident61 Ų6155.7 Ų55.733%0.32626%0.263SS..Hα-helixtrans-64.3-24.1178.3-70.2-16.3000113P372 I378 E379 T380P372-N376 WeakPolarHBondContact O-CB 3.36Å; P372-N376 VanDerWaalsContact O-CG 3.26Å; P372-N376 PolarHBondContact O-N 3.21Å; P372-N376 PolarHBondContact O-ND2 3.11Å; N376-I378 PolarHBondContact O-N 3.2Å; N376-E379 PolarHBondContact O-N 3.15Å; N376-T380 PolarHBondContact O-OG1 3.2Å
377K76.1Confident83.1Confident87 Ų8760.4 Ų60.438%0.37828%0.283SS..G310 helixtrans-62.9-25172.8-82.2-177.6176.4174.70113.5Y373 E374 M375 E379 T380Y373-K377 HydrophobicContact CE1-CD 4.24Å; Y373-K377 VanDerWaalsContact CE1-NZ 3.25Å; Y373-K377 PolarHBondContact O-N 3.49Å; Y373-K377 WeakPolarHBondContact OH-CE 3.28Å; Y373-K377 PolarHBondContact OH-NZ 2.9Å; E374-K377 IonicContact OE2-NZ 3.32Å; M375-K377 PolarHBondContact O-N 3.47Å; K377-E379 PolarHBondContact O-N 3.27Å; K377-T380 PolarHBondContact O-OG1 2.92Å; K377-T380 VanDerWaalsContact O-OG1 3.13Å
378I73.4Confident82.9Confident30 Ų3061.2 Ų61.215%0.15429%0.287CS..G310 helixtrans-63.4-33.6176.6-64.3175.8000110.4M375 N376 T380 K420 M421 P424M375-I378 WeakPolarHBondContact O-CB 3.21Å; M375-I378 PolarHBondContact O-N 3.44Å; M375-I378 HydrophobicContact SD-CD1 3.97Å; N376-I378 PolarHBondContact O-N 3.2Å; I378-T380 VanDerWaalsContact C-N 3.32Å; I378-T380 PolarHBondContact O-N 3.11Å; I378-K420 HydrophobicContact CD1-CB 4.12Å; I378-K420 WeakPolarHBondContact CD1-O 3.04Å; I378-K420 HydrophobicContact CG1-CB 4.43Å; I378-K420 HydrophobicContact CG2-CB 3.85Å; I378-K420 HydrophobicContact CG2-CD 3.94Å; I378-M421 HydrophobicContact CD1-CB 4.3Å; I378-M421 HydrophobicContact CD1-CG 3.9Å; I378-P424 HydrophobicContact CD1-CG 3.62Å; I378-P424 HydrophobicContact CG1-CG 4.5Å
379E61.8Low82.8Confident75 Ų7554.9 Ų54.935%0.3526%0.258SS..G310 helixtrans-82.77-171.4-63.4-174.1149.500115.1N376 K377 I665N376-E379 PolarHBondContact O-N 3.15Å; K377-E379 PolarHBondContact O-N 3.27Å; E379-I665 HydrophobicContact CG-CD1 4.16Å; E379-I665 WeakPolarHBondContact OE1-CD1 3.2Å
380T59.3Low82.8Confident54 Ų5451.9 Ų51.933%0.33125%0.246SC..  trans-86.9-23-155.9-49.20000116.6N376 K377 I378 E382N376-T380 PolarHBondContact O-OG1 3.2Å; K377-T380 PolarHBondContact O-OG1 2.92Å; K377-T380 VanDerWaalsContact O-OG1 3.13Å; I378-T380 VanDerWaalsContact C-N 3.32Å; I378-T380 PolarHBondContact O-N 3.11Å; T380-E382 PolarHBondContact O-N 3.47Å
381D68.8Low83Confident48 Ų4853.3 Ų53.326%0.25725%0.252SS..  trans-97.682.6177.1-157.2-23.1000112.6E383 E384 L385 K625D381-E383 PolarHBondContact O-N 3.04Å; D381-E383 WeakPolarHBondContact OD1-CA 3.39Å; D381-E383 WeakPolarHBondContact OD1-CB 3.34Å; D381-E383 PolarHBondContact OD1-N 3.44Å; D381-E384 HydrophobicContact CB-CB 3.67Å; D381-E384 PolarHBondContact O-N 3.13Å; D381-E384 PolarHBondContact OD1-N 3.3Å; D381-L385 VanDerWaalsContact O-CB 3.28Å; D381-L385 WeakPolarHBondContact O-CB 3.38Å; D381-L385 PolarHBondContact O-N 2.91Å; D381-K625 IonicContact OD1-NZ 2.85Å; D381-K625 PolarHBondContact OD1-NZ 3.03Å; D381-K625 WeakPolarHBondContact OD2-CE 3.36Å; D381-K625 IonicContact OD2-NZ 3.89Å; D381-K625 PolarHBondContact OD2-NZ 2.77Å
382E78Confident82.9Confident78 Ų7853.9 Ų53.936%0.36426%0.257SS..Hα-helixtrans-57.3-33.2172.2-89.7-144.6144.600113.2T380 R386 R654T380-E382 PolarHBondContact O-N 3.47Å; E382-R386 WeakPolarHBondContact O-CB 3.29Å; E382-R386 VanDerWaalsContact O-CG 3.24Å; E382-R386 WeakPolarHBondContact O-CG 3.39Å; E382-R386 PolarHBondContact O-N 3.38Å; E382-R386 IonicContact OE1-NH2 2.98Å; E382-R386 IonicContact OE2-CZ 3.1Å; E382-R386 VanDerWaalsContact OE2-CZ 3.26Å; E382-R386 IonicContact OE2-NH1 3.52Å; E382-R386 PolarHBondContact OE2-NH1 2.96Å; E382-R386 IonicContact OE2-NH2 3.82Å; E382-R386 PolarHBondContact OE2-NH2 3.06Å; E382-R654 IonicContact OE1-CZ 3.08Å; E382-R654 IonicContact OE1-NH1 3.6Å; E382-R654 PolarHBondContact OE1-NH1 3.23Å; E382-R654 VanDerWaalsContact OE1-NH1 3.12Å
383E78Confident82.8Confident141 Ų14152.4 Ų52.466%0.65925%0.248SC*.Hα-helixtrans-75-43.2-177.1-172-176.1177.200110.3D381 R386 K387 K625D381-E383 PolarHBondContact O-N 3.04Å; D381-E383 WeakPolarHBondContact OD1-CA 3.39Å; D381-E383 WeakPolarHBondContact OD1-CB 3.34Å; D381-E383 PolarHBondContact OD1-N 3.44Å; E383-R386 PolarHBondContact O-N 2.93Å; E383-K387 WeakPolarHBondContact O-CB 3.37Å; E383-K387 PolarHBondContact O-N 3.07Å; E383-K625 IonicContact OE2-NZ 3.43Å; E383-K625 PolarHBondContact OE2-NZ 2.89Å
384E83.4Confident83Confident99 Ų9955.1 Ų55.146%0.46326%0.258SS..Hα-helixtrans-63.4-42.1170.7-170.8178.5-164.100110.8D381 K387 E388D381-E384 HydrophobicContact CB-CB 3.67Å; D381-E384 PolarHBondContact O-N 3.13Å; D381-E384 PolarHBondContact OD1-N 3.3Å; E384-K387 CarbonylContact O-C 3.53Å; E384-K387 WeakPolarHBondContact O-CB 3.37Å; E384-K387 PolarHBondContact O-N 2.66Å; E384-E388 HydrophobicContact CG-CG 4.41Å; E384-E388 WeakPolarHBondContact O-CB 3.49Å; E384-E388 VanDerWaalsContact O-CG 3.27Å; E384-E388 WeakPolarHBondContact O-CG 3.33Å; E384-E388 PolarHBondContact O-N 3.23Å
385L87.3Confident83.1Confident28 Ų2860 Ų6015%0.14729%0.285CS..Hα-helixtrans-60.8-49.1175.7-179.664000111.3D381 K387 E388 I389 I413 R654D381-L385 VanDerWaalsContact O-CB 3.28Å; D381-L385 WeakPolarHBondContact O-CB 3.38Å; D381-L385 PolarHBondContact O-N 2.91Å; L385-K387 VanDerWaalsContact C-N 3.29Å; L385-K387 PolarHBondContact O-N 2.93Å; L385-E388 PolarHBondContact O-N 2.93Å; L385-I389 HydrophobicContact CD1-CD1 4.13Å; L385-I389 HydrophobicContact CD1-CG1 4.38Å; L385-I389 HydrophobicContact CG-CD1 3.85Å; L385-I389 WeakPolarHBondContact O-CB 3.43Å; L385-I389 WeakPolarHBondContact O-CD1 3.48Å; L385-I389 WeakPolarHBondContact O-CG1 3.37Å; L385-I389 PolarHBondContact O-N 3.48Å; L385-I413 HydrophobicContact CD1-CG2 3.5Å; L385-R654 HydrophobicContact CD2-CG 4.38Å
386R88.6Confident83.3Confident85 Ų8562.8 Ų62.832%0.32130%0.299SS..Hα-helixtrans-60.3-40.2175.4-76-175-177.6103.76.4111.4E382 E383 I389 S390 V650 E651E382-R386 WeakPolarHBondContact O-CB 3.29Å; E382-R386 VanDerWaalsContact O-CG 3.24Å; E382-R386 WeakPolarHBondContact O-CG 3.39Å; E382-R386 PolarHBondContact O-N 3.38Å; E382-R386 IonicContact OE1-NH2 2.98Å; E382-R386 IonicContact OE2-CZ 3.1Å; E382-R386 VanDerWaalsContact OE2-CZ 3.26Å; E382-R386 IonicContact OE2-NH1 3.52Å; E382-R386 PolarHBondContact OE2-NH1 2.96Å; E382-R386 IonicContact OE2-NH2 3.82Å; E382-R386 PolarHBondContact OE2-NH2 3.06Å; E383-R386 PolarHBondContact O-N 2.93Å; R386-I389 PolarHBondContact O-N 3.4Å; R386-S390 WeakPolarHBondContact O-CB 3.44Å; R386-S390 PolarHBondContact O-N 2.73Å; R386-V650 HydrophobicContact CB-CG1 3.88Å; R386-V650 HydrophobicContact CG-CG1 3.93Å; R386-E651 IonicContact CZ-OE2 3.26Å; R386-E651 IonicContact NE-OE2 2.77Å; R386-E651 PolarHBondContact NE-OE2 3.4Å; R386-E651 IonicContact NH2-OE2 3.57Å
387K90.1Very high83.6Confident118 Ų11861.6 Ų61.651%0.51329%0.291SS..Hα-helixtrans-64.3-44.6175.6-173.8-179.1-174.1-178.50111.7E383 E384 L385 S390 Y391E383-K387 WeakPolarHBondContact O-CB 3.37Å; E383-K387 PolarHBondContact O-N 3.07Å; E384-K387 CarbonylContact O-C 3.53Å; E384-K387 WeakPolarHBondContact O-CB 3.37Å; E384-K387 PolarHBondContact O-N 2.66Å; L385-K387 VanDerWaalsContact C-N 3.29Å; L385-K387 PolarHBondContact O-N 2.93Å; K387-S390 WeakPolarHBondContact O-CB 3.39Å; K387-S390 PolarHBondContact O-N 3.28Å; K387-Y391 HydrophobicContact CD-CE2 4.14Å; K387-Y391 HydrophobicContact CG-CD2 3.93Å; K387-Y391 HydrophobicContact CG-CE2 3.59Å; K387-Y391 WeakPolarHBondContact O-CD2 3.44Å; K387-Y391 PolarHBondContact O-N 2.99Å
388E91.2Very high84.1Confident30 Ų3060.1 Ų60.114%0.1430%0.301CS..Hα-helixtrans-62.9-44.2176.3-75.8-174.7-179.200111.5E384 L385 S390 Y391 A392 I413 K416E384-E388 HydrophobicContact CG-CG 4.41Å; E384-E388 WeakPolarHBondContact O-CB 3.49Å; E384-E388 VanDerWaalsContact O-CG 3.27Å; E384-E388 WeakPolarHBondContact O-CG 3.33Å; E384-E388 PolarHBondContact O-N 3.23Å; L385-E388 PolarHBondContact O-N 2.93Å; E388-S390 VanDerWaalsContact C-N 3.34Å; E388-Y391 PolarHBondContact O-N 3.26Å; E388-A392 WeakPolarHBondContact O-CB 3.45Å; E388-A392 PolarHBondContact O-N 3.3Å; E388-I413 HydrophobicContact CB-CD1 3.81Å; E388-K416 IonicContact OE1-NZ 3.16Å; E388-K416 PolarHBondContact OE1-NZ 3.27Å; E388-K416 IonicContact OE2-NZ 3.03Å; E388-K416 PolarHBondContact OE2-NZ 3.28Å
389I92.3Very high84.8Confident0 Ų067.2 Ų67.20%034%0.337CS..Hα-helixtrans-60.7-45.6174.3-67.3163.6000109.9L385 R386 Y391 A392 I393 I413 V650 I653 R654L385-I389 HydrophobicContact CD1-CD1 4.13Å; L385-I389 HydrophobicContact CD1-CG1 4.38Å; L385-I389 HydrophobicContact CG-CD1 3.85Å; L385-I389 WeakPolarHBondContact O-CB 3.43Å; L385-I389 WeakPolarHBondContact O-CD1 3.48Å; L385-I389 WeakPolarHBondContact O-CG1 3.37Å; L385-I389 PolarHBondContact O-N 3.48Å; R386-I389 PolarHBondContact O-N 3.4Å; I389-Y391 PolarHBondContact O-N 3.23Å; I389-A392 PolarHBondContact O-N 3.41Å; I389-A392 VanDerWaalsContact O-N 3.17Å; I389-I393 HydrophobicContact CG2-CD1 3.72Å; I389-I393 HydrophobicContact CG2-CG1 4.29Å; I389-I393 VanDerWaalsContact O-CG1 3.29Å; I389-I393 WeakPolarHBondContact O-CG1 3.5Å; I389-I393 PolarHBondContact O-N 3.14Å; I389-I413 HydrophobicContact CG1-CB 4.44Å; I389-I413 HydrophobicContact CG1-CD1 4.22Å; I389-I413 HydrophobicContact CG1-CG1 3.88Å; I389-I413 HydrophobicContact CG1-CG2 4.04Å; I389-V650 HydrophobicContact CB-CG1 4.27Å; I389-V650 HydrophobicContact CG2-CB 4.16Å; I389-V650 HydrophobicContact CG2-CG1 4.08Å; I389-V650 HydrophobicContact CG2-CG2 4.06Å; I389-I653 HydrophobicContact CD1-CG2 4.14Å; I389-I653 HydrophobicContact CG1-CG2 4.04Å; I389-I653 HydrophobicContact CG2-CB 3.78Å; I389-I653 HydrophobicContact CG2-CD1 4.22Å; I389-I653 HydrophobicContact CG2-CG2 3.77Å; I389-R654 HydrophobicContact CD1-CB 3.96Å
390S91.3Very high85.8Confident22 Ų2273.1 Ų73.115%0.15436%0.356CS..Hα-helixtrans-58.6-46.3177.4-175.60000111.8R386 K387 E388 I393 R394R386-S390 WeakPolarHBondContact O-CB 3.44Å; R386-S390 PolarHBondContact O-N 2.73Å; K387-S390 WeakPolarHBondContact O-CB 3.39Å; K387-S390 PolarHBondContact O-N 3.28Å; E388-S390 VanDerWaalsContact C-N 3.34Å; S390-I393 PolarHBondContact O-N 2.76Å; S390-R394 WeakPolarHBondContact O-CB 3.26Å; S390-R394 VanDerWaalsContact O-CG 3.31Å; S390-R394 WeakPolarHBondContact O-CG 3.36Å; S390-R394 PolarHBondContact O-N 3.43Å
391Y92.9Very high86.6Confident92 Ų9276.6 Ų76.636%0.36138%0.377SS..Hα-helixtrans-63.8-41.3173.9-77.9-63.8000112.5K387 E388 I389 R394 N395 L639K387-Y391 HydrophobicContact CD-CE2 4.14Å; K387-Y391 HydrophobicContact CG-CD2 3.93Å; K387-Y391 HydrophobicContact CG-CE2 3.59Å; K387-Y391 WeakPolarHBondContact O-CD2 3.44Å; K387-Y391 PolarHBondContact O-N 2.99Å; E388-Y391 PolarHBondContact O-N 3.26Å; I389-Y391 PolarHBondContact O-N 3.23Å; Y391-R394 PolarHBondContact O-N 3.46Å; Y391-N395 VanDerWaalsContact O-CB 3.23Å; Y391-N395 WeakPolarHBondContact O-CB 3.48Å; Y391-N395 PolarHBondContact O-N 2.91Å; Y391-N395 PolarHBondContact O-ND2 3.3Å; Y391-L639 HydrophobicContact CE1-CD1 4.31Å; Y391-L639 VanDerWaalsContact OH-CD1 3.3Å; Y391-L639 WeakPolarHBondContact OH-CD1 3.48Å
392A93Very high86.8Confident14 Ų1475.2 Ų75.212%0.11638%0.375CS..Hα-helixtrans-60.7-48.2178.200000111E388 I389 N395 I396 A409 I413E388-A392 WeakPolarHBondContact O-CB 3.45Å; E388-A392 PolarHBondContact O-N 3.3Å; I389-A392 PolarHBondContact O-N 3.41Å; I389-A392 VanDerWaalsContact O-N 3.17Å; A392-N395 PolarHBondContact O-N 3.16Å; A392-I396 WeakPolarHBondContact O-CB 3.34Å; A392-I396 VanDerWaalsContact O-CD1 3.31Å; A392-I396 WeakPolarHBondContact O-CD1 3.47Å; A392-I396 WeakPolarHBondContact O-CG1 3.26Å; A392-I396 PolarHBondContact O-N 3.42Å; A392-A409 HydrophobicContact CB-CB 4.08Å; A392-I413 HydrophobicContact CB-CD1 4.22Å; A392-I413 HydrophobicContact CB-CG1 4.29Å
393I90.6Very high86.8Confident0 Ų077.6 Ų77.60%039%0.389CS..Hα-helixtrans-58.5-52.2176.3-65.6164.5000110.4I389 S390 N395 I396 H397 P406 A409 L646 Q649 V650 I653I389-I393 HydrophobicContact CG2-CD1 3.72Å; I389-I393 HydrophobicContact CG2-CG1 4.29Å; I389-I393 VanDerWaalsContact O-CG1 3.29Å; I389-I393 WeakPolarHBondContact O-CG1 3.5Å; I389-I393 PolarHBondContact O-N 3.14Å; S390-I393 PolarHBondContact O-N 2.76Å; I393-N395 VanDerWaalsContact C-N 3.34Å; I393-N395 PolarHBondContact O-N 2.94Å; I393-I396 PolarHBondContact O-N 3.46Å; I393-H397 WeakPolarHBondContact CG2-CE1 3.1Å; I393-H397 PolarHBondContact O-N 2.92Å; I393-P406 HydrophobicContact CB-CG 4.36Å; I393-P406 HydrophobicContact CG1-CG 4.06Å; I393-P406 HydrophobicContact CG2-CG 4.18Å; I393-A409 HydrophobicContact CG1-CB 4.01Å; I393-L646 HydrophobicContact CB-CD1 3.92Å; I393-L646 HydrophobicContact CD1-CD1 4.07Å; I393-L646 HydrophobicContact CG2-CD1 3.52Å; I393-Q649 HydrophobicContact CD1-CB 3.87Å; I393-V650 HydrophobicContact CD1-CG2 3.77Å; I393-I653 HydrophobicContact CD1-CD1 3.93Å; I393-I653 HydrophobicContact CG1-CD1 3.83Å
394R90.3Very high87Confident75 Ų7579.1 Ų79.128%0.28339%0.394SS..Hα-helixtrans-58.8-43.5-179.8-75.6175.9170.2172.30.7112.3S390 Y391 H397 G398 L646S390-R394 WeakPolarHBondContact O-CB 3.26Å; S390-R394 VanDerWaalsContact O-CG 3.31Å; S390-R394 WeakPolarHBondContact O-CG 3.36Å; S390-R394 PolarHBondContact O-N 3.43Å; Y391-R394 PolarHBondContact O-N 3.46Å; R394-H397 PolarHBondContact O-N 3.28Å; R394-G398 PolarHBondContact O-N 3.11Å; R394-L646 HydrophobicContact CG-CD1 4.49Å; R394-L646 HydrophobicContact CG-CD2 4.14Å
395N90.8Very high86.8Confident124 Ų12476.1 Ų76.166%0.66338%0.382SS*.Hα-helixtrans-69.3-34.5179.4-71.6-20.8000112.7Y391 A392 I393Y391-N395 VanDerWaalsContact O-CB 3.23Å; Y391-N395 WeakPolarHBondContact O-CB 3.48Å; Y391-N395 PolarHBondContact O-N 2.91Å; Y391-N395 PolarHBondContact O-ND2 3.3Å; A392-N395 PolarHBondContact O-N 3.16Å; I393-N395 VanDerWaalsContact C-N 3.34Å; I393-N395 PolarHBondContact O-N 2.94Å
396I91Very high86.7Confident58 Ų5875.3 Ų75.330%0.29738%0.379SS..Hα-helixtrans-71.3-39.9176.2-71.4161.5000111.1A392 I393 P406 L408 A409A392-I396 WeakPolarHBondContact O-CB 3.34Å; A392-I396 VanDerWaalsContact O-CD1 3.31Å; A392-I396 WeakPolarHBondContact O-CD1 3.47Å; A392-I396 WeakPolarHBondContact O-CG1 3.26Å; A392-I396 PolarHBondContact O-N 3.42Å; I393-I396 PolarHBondContact O-N 3.46Å; I396-P406 HydrophobicContact CB-CB 4.39Å; I396-P406 HydrophobicContact CD1-CB 4.27Å; I396-P406 HydrophobicContact CD1-CG 4.42Å; I396-P406 HydrophobicContact CG2-CB 3.67Å; I396-P406 HydrophobicContact CG2-CG 4.25Å; I396-L408 HydrophobicContact CD1-CB 3.9Å; I396-L408 HydrophobicContact CD1-CD2 4.27Å; I396-L408 HydrophobicContact CD1-CG 3.96Å; I396-L408 HydrophobicContact CG1-CD2 4.17Å; I396-L408 HydrophobicContact CG1-CG 4.4Å; I396-A409 HydrophobicContact CD1-CB 3.65Å; I396-A409 VanDerWaalsContact CD1-N 3.27Å
397H88.1Confident86.6Confident35 Ų3576.6 Ų76.616%0.16239%0.392CS..Hα-helixtrans-69.5-40.1175.7-68.1163.7000111.7I393 R394 I399 R400 G402 F404 Q649I393-H397 WeakPolarHBondContact CG2-CE1 3.1Å; I393-H397 PolarHBondContact O-N 2.92Å; R394-H397 PolarHBondContact O-N 3.28Å; H397-I399 PolarHBondContact O-N 2.96Å; H397-R400 VanDerWaalsContact O-CB 3.26Å; H397-R400 WeakPolarHBondContact O-CB 3.46Å; H397-R400 PolarHBondContact O-N 3.06Å; H397-G402 WeakPolarHBondContact CE1-CA 3.3Å; H397-G402 WeakPolarHBondContact ND1-CA 3.41Å; H397-F404 PolarHBondContact NE2-O 3.26Å; H397-Q649 PolarHBondContact CE1-OE1 3.16Å
398G86.9Confident86.7Confident57 Ų5774.9 Ų74.959%0.58839%0.388SS*.THydrogen-bonded Turntrans58.5-117.2178.400000111.6R394R394-G398 PolarHBondContact O-N 3.11Å
399I87.1Confident86.8Confident178 Ų17873.4 Ų73.491%0.91338%0.381SS*.THydrogen-bonded Turntrans-85-5.9176.363.8168.8000113.8H397H397-I399 PolarHBondContact O-N 2.96Å
400R81.9Confident86.8Confident200 Ų20073.9 Ų73.976%0.75538%0.383SS*.SBendtrans-86.2142.9-176.6-55.7175.1-178.1172.11.2109.8H397 G402H397-R400 VanDerWaalsContact O-CB 3.26Å; H397-R400 WeakPolarHBondContact O-CB 3.46Å; H397-R400 PolarHBondContact O-N 3.06Å; R400-G402 PolarHBondContact O-N 3.38Å
401T76.7Confident86.9Confident126 Ų12675.5 Ų75.577%0.77339%0.389SS*.  trans-72115.9167.550.90000109.5L403T401-L403 PolarHBondContact O-N 2.9Å
402G73.3Confident86.9Confident19 Ų1974.4 Ų74.420%0.19639%0.391CS..  trans-7188.9-175.400000114.6H397 R400 Q645H397-G402 WeakPolarHBondContact CE1-CA 3.3Å; H397-G402 WeakPolarHBondContact ND1-CA 3.41Å; R400-G402 PolarHBondContact O-N 3.38Å; G402-Q645 PolarHBondContact O-NE2 3.42Å; G402-Q645 VanDerWaalsContact O-NE2 3.08Å
403L77.6Confident87Confident129 Ų12974 Ų7468%0.67539%0.387SS*.  trans-71.7-34.4177.7-69171.5000113.4T401T401-L403 PolarHBondContact O-N 2.9Å
404F81.6Confident87.1Confident172 Ų17274 Ų7475%0.75439%0.387SS*.SBendtrans-122.4154.8-175.6-59.3-71.8000111.9H397 P406H397-F404 PolarHBondContact NE2-O 3.26Å; F404-P406 WeakPolarHBondContact O-CD 3.33Å
405T80.3Confident87.4Confident36 Ų3674.2 Ų74.222%0.22139%0.388CS..  trans-66.2119.7170.9-49.30000109.5D407 Q649 I652 I653T405-D407 PolarHBondContact O-N 3.26Å; T405-Q649 HydrophobicContact CG2-CB 4.35Å; T405-Q649 HydrophobicContact CG2-CG 4.45Å; T405-I652 HydrophobicContact CG2-CG2 4.37Å; T405-I653 HydrophobicContact CG2-CD1 3.8Å; T405-I653 HydrophobicContact CG2-CG1 3.6Å
406P84.2Confident87.5Confident12 Ų1272.8 Ų72.88%0.07838%0.376CS..  trans-74.1123.2-178.125.7-28.1000111.6I393 I396 F404 L408 A409I393-P406 HydrophobicContact CB-CG 4.36Å; I393-P406 HydrophobicContact CG1-CG 4.06Å; I393-P406 HydrophobicContact CG2-CG 4.18Å; I396-P406 HydrophobicContact CB-CB 4.39Å; I396-P406 HydrophobicContact CD1-CB 4.27Å; I396-P406 HydrophobicContact CD1-CG 4.42Å; I396-P406 HydrophobicContact CG2-CB 3.67Å; I396-P406 HydrophobicContact CG2-CG 4.25Å; F404-P406 WeakPolarHBondContact O-CD 3.33Å; P406-L408 VanDerWaalsContact C-N 3.28Å; P406-L408 PolarHBondContact O-N 2.93Å; P406-A409 HydrophobicContact CB-CB 4.41Å; P406-A409 HydrophobicContact CG-CB 3.87Å; P406-A409 WeakPolarHBondContact O-CB 3.31Å; P406-A409 PolarHBondContact O-N 2.9Å
407D87.9Confident87.6Confident111 Ų11170.7 Ų70.759%0.59437%0.365SS*.Hα-helixtrans-57.7-39.3171.457.8-20.9000112.4T405 A409 F410 E411T405-D407 PolarHBondContact O-N 3.26Å; D407-A409 PolarHBondContact O-N 2.83Å; D407-F410 WeakPolarHBondContact O-CB 3.29Å; D407-F410 PolarHBondContact O-N 3.42Å; D407-F410 VanDerWaalsContact O-N 3.08Å; D407-E411 PolarHBondContact O-N 3.47Å
408L91.7Very high87.9Confident82 Ų8269 Ų6943%0.42936%0.357SS..Hα-helixtrans-61.1-27.8178-176.961000112.9I396 P406 T412I396-L408 HydrophobicContact CD1-CB 3.9Å; I396-L408 HydrophobicContact CD1-CD2 4.27Å; I396-L408 HydrophobicContact CD1-CG 3.96Å; I396-L408 HydrophobicContact CG1-CD2 4.17Å; I396-L408 HydrophobicContact CG1-CG 4.4Å; P406-L408 VanDerWaalsContact C-N 3.28Å; P406-L408 PolarHBondContact O-N 2.93Å; L408-T412 VanDerWaalsContact O-CB 3.23Å; L408-T412 WeakPolarHBondContact O-CB 3.34Å; L408-T412 PolarHBondContact O-N 3.36Å; L408-T412 PolarHBondContact O-OG1 2.85Å
409A92.8Very high88.3Confident0 Ų070 Ų700%035%0.349CS..Hα-helixtrans-70.2-45.3174.700000110.6A392 I393 I396 P406 D407 E411 T412 I413 I653A392-A409 HydrophobicContact CB-CB 4.08Å; I393-A409 HydrophobicContact CG1-CB 4.01Å; I396-A409 HydrophobicContact CD1-CB 3.65Å; I396-A409 VanDerWaalsContact CD1-N 3.27Å; P406-A409 HydrophobicContact CB-CB 4.41Å; P406-A409 HydrophobicContact CG-CB 3.87Å; P406-A409 WeakPolarHBondContact O-CB 3.31Å; P406-A409 PolarHBondContact O-N 2.9Å; D407-A409 PolarHBondContact O-N 2.83Å; A409-E411 VanDerWaalsContact C-N 3.33Å; A409-E411 PolarHBondContact O-N 3.46Å; A409-T412 PolarHBondContact O-N 3.42Å; A409-I413 WeakPolarHBondContact O-CB 3.42Å; A409-I413 WeakPolarHBondContact O-CG1 3.14Å; A409-I413 PolarHBondContact O-N 3.08Å; A409-I653 HydrophobicContact CB-CD1 3.41Å; A409-I653 VanDerWaalsContact CB-CD1 3.41Å
410F93.1Very high88.5Confident9 Ų964.8 Ų64.84%0.03932%0.32CS..Hα-helixtrans-57.7-47.6172.9162.7-103.9000111D407 T414 M487 T489 F494 I653 L656 V657 Y660D407-F410 WeakPolarHBondContact O-CB 3.29Å; D407-F410 PolarHBondContact O-N 3.42Å; D407-F410 VanDerWaalsContact O-N 3.08Å; F410-T414 WeakPolarHBondContact CD2-OG1 3.23Å; F410-T414 WeakPolarHBondContact CE2-OG1 3.42Å; F410-T414 WeakPolarHBondContact O-CB 3.18Å; F410-T414 PolarHBondContact O-N 2.93Å; F410-T414 PolarHBondContact O-OG1 3.45Å; F410-M487 HydrophobicContact CE1-CE 4.42Å; F410-T489 HydrophobicContact CE1-CG2 4.1Å; F410-F494 HydrophobicContact CE1-CZ 4.47Å; F410-F494 HydrophobicContact CE2-CE2 4.4Å; F410-F494 HydrophobicContact CE2-CZ 4.33Å; F410-F494 HydrophobicContact CZ-CE2 4.11Å; F410-F494 AromaticContact CZ-CZ 3.87Å; F410-F494 HydrophobicContact CZ-CZ 3.87Å; F410-I653 HydrophobicContact CB-CG2 4.14Å; F410-L656 HydrophobicContact CD2-CB 3.51Å; F410-L656 VanDerWaalsContact CE2-C 3.49Å; F410-L656 HydrophobicContact CE2-CB 3.64Å; F410-L656 HydrophobicContact CG-CB 4.36Å; F410-V657 HydrophobicContact CD2-CG2 3.92Å; F410-V657 HydrophobicContact CE2-CG2 4.36Å; F410-Y660 HydrophobicContact CZ-CG 4.24Å
411E92.8Very high89.1Confident57 Ų5755.3 Ų55.327%0.26628%0.284SS..Hα-helixtrans-59.5-50.2178176.5163.8-164.200112.5D407 A409 I413 T414 R415 M487D407-E411 PolarHBondContact O-N 3.47Å; A409-E411 VanDerWaalsContact C-N 3.33Å; A409-E411 PolarHBondContact O-N 3.46Å; E411-I413 PolarHBondContact O-N 3.22Å; E411-T414 PolarHBondContact O-N 3.31Å; E411-R415 HydrophobicContact CG-CG 4.34Å; E411-R415 WeakPolarHBondContact O-CB 3.25Å; E411-R415 WeakPolarHBondContact O-CG 3.22Å; E411-R415 PolarHBondContact O-N 3.05Å; E411-R415 IonicContact OE1-CZ 3.15Å; E411-R415 IonicContact OE1-NE 2.64Å; E411-R415 PolarHBondContact OE1-NE 3.4Å; E411-R415 IonicContact OE1-NH2 3.52Å; E411-R415 PolarHBondContact OE1-NH2 2.84Å; E411-M487 HydrophobicContact CB-CE 3.6Å; E411-M487 HydrophobicContact CB-SD 4.5Å; E411-M487 HydrophobicContact CG-CE 3.39Å; E411-M487 HydrophobicContact CG-SD 4.19Å
412T93.8Very high89.9Confident68 Ų6851.2 Ų51.242%0.41726%0.256SS..Hα-helixtrans-61.2-45.8-177.5-60.70000111.3L408 A409 K416L408-T412 VanDerWaalsContact O-CB 3.23Å; L408-T412 WeakPolarHBondContact O-CB 3.34Å; L408-T412 PolarHBondContact O-N 3.36Å; L408-T412 PolarHBondContact O-OG1 2.85Å; A409-T412 PolarHBondContact O-N 3.42Å; T412-K416 WeakPolarHBondContact O-CB 3.27Å; T412-K416 PolarHBondContact O-N 3.4Å; T412-K416 VanDerWaalsContact O-N 3.16Å
413I93.8Very high90.9Very high5 Ų556.3 Ų56.33%0.02628%0.277CS..Hα-helixtrans-69.5-45.7-179-62.7-67.8000110.5L385 E388 I389 A392 A409 E411 K416 Q417 V657L385-I413 HydrophobicContact CD1-CG2 3.5Å; E388-I413 HydrophobicContact CB-CD1 3.81Å; I389-I413 HydrophobicContact CG1-CB 4.44Å; I389-I413 HydrophobicContact CG1-CD1 4.22Å; I389-I413 HydrophobicContact CG1-CG1 3.88Å; I389-I413 HydrophobicContact CG1-CG2 4.04Å; A392-I413 HydrophobicContact CB-CD1 4.22Å; A392-I413 HydrophobicContact CB-CG1 4.29Å; A409-I413 WeakPolarHBondContact O-CB 3.42Å; A409-I413 WeakPolarHBondContact O-CG1 3.14Å; A409-I413 PolarHBondContact O-N 3.08Å; E411-I413 PolarHBondContact O-N 3.22Å; I413-K416 WeakPolarHBondContact O-CB 3.45Å; I413-K416 PolarHBondContact O-N 3.16Å; I413-Q417 WeakPolarHBondContact O-CG 3.32Å; I413-Q417 PolarHBondContact O-N 3.04Å; I413-V657 HydrophobicContact CB-CG2 4.18Å; I413-V657 HydrophobicContact CG2-CG1 4.21Å; I413-V657 HydrophobicContact CG2-CG2 3.76Å
414T93.9Very high91.7Very high0 Ų050.6 Ų50.60%025%0.247CC..Hα-helixtrans-61.1-48.8179.5-59.20000111.4F410 E411 K416 Q417 I418 M487 Y660 M661F410-T414 WeakPolarHBondContact CD2-OG1 3.23Å; F410-T414 WeakPolarHBondContact CE2-OG1 3.42Å; F410-T414 WeakPolarHBondContact O-CB 3.18Å; F410-T414 PolarHBondContact O-N 2.93Å; F410-T414 PolarHBondContact O-OG1 3.45Å; E411-T414 PolarHBondContact O-N 3.31Å; T414-K416 VanDerWaalsContact C-N 3.27Å; T414-K416 PolarHBondContact O-N 3.5Å; T414-Q417 PolarHBondContact O-N 3.08Å; T414-I418 HydrophobicContact CG2-CD1 3.88Å; T414-I418 HydrophobicContact CG2-CG1 4.35Å; T414-I418 WeakPolarHBondContact O-CG1 3.29Å; T414-I418 PolarHBondContact O-N 2.92Å; T414-M487 HydrophobicContact CG2-SD 4.19Å; T414-Y660 HydrophobicContact CG2-CD1 3.33Å; T414-Y660 HydrophobicContact CG2-CE1 3.98Å; T414-Y660 HydrophobicContact CG2-CG 4.13Å; T414-M661 HydrophobicContact CG2-SD 4.47Å
415R95.1Very high92.5Very high80 Ų8042.4 Ų42.430%0.30221%0.211SC..Hα-helixtrans-56.5-41.9176.1-73173.7-179.4-68.9-6.5111.9E411 Q417 I418 D419 L484 M487E411-R415 HydrophobicContact CG-CG 4.34Å; E411-R415 WeakPolarHBondContact O-CB 3.25Å; E411-R415 WeakPolarHBondContact O-CG 3.22Å; E411-R415 PolarHBondContact O-N 3.05Å; E411-R415 IonicContact OE1-CZ 3.15Å; E411-R415 IonicContact OE1-NE 2.64Å; E411-R415 PolarHBondContact OE1-NE 3.4Å; E411-R415 IonicContact OE1-NH2 3.52Å; E411-R415 PolarHBondContact OE1-NH2 2.84Å; R415-Q417 VanDerWaalsContact C-N 3.34Å; R415-Q417 PolarHBondContact O-N 2.69Å; R415-I418 PolarHBondContact O-N 3.11Å; R415-D419 PolarHBondContact O-N 3.4Å; R415-L484 HydrophobicContact CB-CD2 4.11Å; R415-L484 HydrophobicContact CG-CD2 4.36Å; R415-L484 PolarHBondContact NH1-O 3.43Å; R415-L484 WeakPolarHBondContact O-CD2 3.42Å; R415-M487 HydrophobicContact CG-SD 4.29Å
416K93.6Very high93.3Very high94 Ų9442.2 Ų42.241%0.40921%0.209SC..Hα-helixtrans-62.8-38.6176.4-173.6-178.5177.6-167.80112.3E388 T412 I413 T414 K420E388-K416 IonicContact OE1-NZ 3.16Å; E388-K416 PolarHBondContact OE1-NZ 3.27Å; E388-K416 IonicContact OE2-NZ 3.03Å; E388-K416 PolarHBondContact OE2-NZ 3.28Å; T412-K416 WeakPolarHBondContact O-CB 3.27Å; T412-K416 PolarHBondContact O-N 3.4Å; T412-K416 VanDerWaalsContact O-N 3.16Å; I413-K416 WeakPolarHBondContact O-CB 3.45Å; I413-K416 PolarHBondContact O-N 3.16Å; T414-K416 VanDerWaalsContact C-N 3.27Å; T414-K416 PolarHBondContact O-N 3.5Å; K416-K420 WeakPolarHBondContact O-CG 3.34Å; K416-K420 PolarHBondContact O-N 3.45Å
417Q92.5Very high93.9Very high14 Ų1445.4 Ų45.47%0.06522%0.222CC..Hα-helixtrans-72.5-39.1177-62.6-58.9-23.400112.3I413 T414 R415 D419 K420 V657 M661I413-Q417 WeakPolarHBondContact O-CG 3.32Å; I413-Q417 PolarHBondContact O-N 3.04Å; T414-Q417 PolarHBondContact O-N 3.08Å; R415-Q417 VanDerWaalsContact C-N 3.34Å; R415-Q417 PolarHBondContact O-N 2.69Å; Q417-D419 PolarHBondContact O-N 3.49Å; Q417-K420 WeakPolarHBondContact O-CB 3.42Å; Q417-K420 PolarHBondContact O-N 2.74Å; Q417-V657 HydrophobicContact CG-CG1 4.41Å; Q417-M661 HydrophobicContact CB-CE 3.76Å; Q417-M661 HydrophobicContact CB-CG 4.19Å; Q417-M661 HydrophobicContact CB-SD 3.56Å; Q417-M661 VanDerWaalsContact CB-SD 3.56Å
418I94.7Very high94.3Very high1 Ų140.2 Ų40.21%0.00519%0.194CC..Hα-helixtrans-60.9-44.8175.1-65.2171.7000110.8T414 R415 K420 M421 V480 Q483 L484 Y660 M661 V664T414-I418 HydrophobicContact CG2-CD1 3.88Å; T414-I418 HydrophobicContact CG2-CG1 4.35Å; T414-I418 WeakPolarHBondContact O-CG1 3.29Å; T414-I418 PolarHBondContact O-N 2.92Å; R415-I418 PolarHBondContact O-N 3.11Å; I418-K420 VanDerWaalsContact C-N 3.28Å; I418-K420 PolarHBondContact O-N 3.3Å; I418-M421 WeakPolarHBondContact O-CB 3.25Å; I418-M421 WeakPolarHBondContact O-CG 3.38Å; I418-M421 PolarHBondContact O-N 2.81Å; I418-V480 HydrophobicContact CG2-CG1 3.91Å; I418-V480 WeakPolarHBondContact O-CG1 3.46Å; I418-Q483 HydrophobicContact CG2-CB 3.84Å; I418-L484 HydrophobicContact CB-CD2 3.79Å; I418-L484 HydrophobicContact CB-CG 4.46Å; I418-L484 HydrophobicContact CG2-CD2 3.68Å; I418-L484 HydrophobicContact CG2-CG 3.78Å; I418-Y660 HydrophobicContact CD1-CD1 4.33Å; I418-Y660 HydrophobicContact CD1-CE1 3.9Å; I418-M661 HydrophobicContact CG1-CE 4.46Å; I418-M661 HydrophobicContact CG1-SD 3.81Å; I418-V664 HydrophobicContact CD1-CG2 4.16Å; I418-V664 HydrophobicContact CG1-CG1 4.23Å; I418-V664 HydrophobicContact CG1-CG2 4.37Å; I418-V664 HydrophobicContact CG2-CG1 4.42Å
419D95.1Very high94.6Very high76 Ų7636.4 Ų36.441%0.40617%0.174SC..Hα-helixtrans-62.4-34.4-178.7-17065.1000112.6R415 Q417 M421 K422 L484R415-D419 PolarHBondContact O-N 3.4Å; Q417-D419 PolarHBondContact O-N 3.49Å; D419-M421 PolarHBondContact O-N 2.97Å; D419-M421 VanDerWaalsContact O-N 3.12Å; D419-K422 WeakPolarHBondContact O-CB 3.5Å; D419-K422 WeakPolarHBondContact O-CG 3.29Å; D419-K422 PolarHBondContact O-N 3.23Å; D419-K422 VanDerWaalsContact O-N 3.16Å; D419-K422 WeakPolarHBondContact OD1-CD 3.3Å; D419-K422 WeakPolarHBondContact OD1-CE 3.35Å; D419-K422 IonicContact OD1-NZ 3.6Å; D419-K422 PolarHBondContact OD1-NZ 2.85Å; D419-L484 HydrophobicContact CB-CD1 4.25Å
420K93.1Very high94.8Very high69 Ų6939.8 Ų39.830%0.319%0.193SC..Hα-helixtrans-59-24.3174-69.9175-175.61750113I378 K416 Q417 I418 K422 I423 P424I378-K420 HydrophobicContact CD1-CB 4.12Å; I378-K420 WeakPolarHBondContact CD1-O 3.04Å; I378-K420 HydrophobicContact CG1-CB 4.43Å; I378-K420 HydrophobicContact CG2-CB 3.85Å; I378-K420 HydrophobicContact CG2-CD 3.94Å; K416-K420 WeakPolarHBondContact O-CG 3.34Å; K416-K420 PolarHBondContact O-N 3.45Å; Q417-K420 WeakPolarHBondContact O-CB 3.42Å; Q417-K420 PolarHBondContact O-N 2.74Å; I418-K420 VanDerWaalsContact C-N 3.28Å; I418-K420 PolarHBondContact O-N 3.3Å; K420-K422 PolarHBondContact O-N 3.39Å; K420-I423 PolarHBondContact O-N 2.82Å; K420-P424 VanDerWaalsContact O-CD 3.23Å; K420-P424 WeakPolarHBondContact O-CD 3.31Å
421M92.6Very high95.1Very high1 Ų142.2 Ų42.21%0.00521%0.205CC..THydrogen-bonded Turntrans-68.5-15179.8-59.2176.14900113.7M375 I378 I418 D419 I423 P424 S425 M661 V664 I665 Q668M375-M421 HydrophobicContact CE-CE 4.12Å; M375-M421 HydrophobicContact SD-CB 3.87Å; M375-M421 HydrophobicContact SD-CE 3.8Å; M375-M421 HydrophobicContact SD-CG 3.72Å; M375-M421 HydrophobicContact SD-SD 4.41Å; I378-M421 HydrophobicContact CD1-CB 4.3Å; I378-M421 HydrophobicContact CD1-CG 3.9Å; I418-M421 WeakPolarHBondContact O-CB 3.25Å; I418-M421 WeakPolarHBondContact O-CG 3.38Å; I418-M421 PolarHBondContact O-N 2.81Å; D419-M421 PolarHBondContact O-N 2.97Å; D419-M421 VanDerWaalsContact O-N 3.12Å; M421-I423 VanDerWaalsContact C-N 3.29Å; M421-I423 PolarHBondContact O-N 3.1Å; M421-P424 WeakPolarHBondContact O-CD 3.21Å; M421-P424 WeakPolarHBondContact O-CG 3.29Å; M421-S425 WeakPolarHBondContact O-CB 3.27Å; M421-S425 PolarHBondContact O-N 3.39Å; M421-S425 PolarHBondContact O-OG 2.79Å; M421-M661 HydrophobicContact CG-CE 4.38Å; M421-M661 HydrophobicContact SD-CE 3.71Å; M421-V664 HydrophobicContact CE-CG1 3.87Å; M421-V664 HydrophobicContact SD-CB 4.46Å; M421-V664 HydrophobicContact SD-CG1 3.73Å; M421-I665 HydrophobicContact CE-CG1 4.19Å; M421-I665 HydrophobicContact SD-CG1 4.14Å; M421-Q668 HydrophobicContact CE-CB 3.26Å; M421-Q668 HydrophobicContact CE-CG 3.5Å
422K95.2Very high95.3Very high41 Ų4139.5 Ų39.518%0.17819%0.193CC..Hα-helixtrans-56.9-44.1172.6-72.6175.3178.1164.70111.3D419 K420 S425 L426 V480 D481D419-K422 WeakPolarHBondContact O-CB 3.5Å; D419-K422 WeakPolarHBondContact O-CG 3.29Å; D419-K422 PolarHBondContact O-N 3.23Å; D419-K422 VanDerWaalsContact O-N 3.16Å; D419-K422 WeakPolarHBondContact OD1-CD 3.3Å; D419-K422 WeakPolarHBondContact OD1-CE 3.35Å; D419-K422 IonicContact OD1-NZ 3.6Å; D419-K422 PolarHBondContact OD1-NZ 2.85Å; K420-K422 PolarHBondContact O-N 3.39Å; K422-S425 PolarHBondContact O-N 3.32Å; K422-L426 WeakPolarHBondContact O-CB 3.5Å; K422-L426 VanDerWaalsContact O-CG 3.25Å; K422-L426 WeakPolarHBondContact O-CG 3.43Å; K422-L426 PolarHBondContact O-N 3.46Å; K422-V480 HydrophobicContact CD-CG1 4.37Å; K422-V480 HydrophobicContact CG-CB 3.79Å; K422-V480 HydrophobicContact CG-CG1 3.78Å; K422-V480 HydrophobicContact CG-CG2 3.81Å; K422-D481 VanDerWaalsContact CE-OD1 3.25Å; K422-D481 WeakPolarHBondContact CE-OD1 3.37Å; K422-D481 IonicContact NZ-OD1 3.74Å; K422-D481 PolarHBondContact NZ-OD1 3.47Å
423I94.4Very high95.5Very high125 Ų12537 Ų3764%0.64118%0.177SC*.Hα-helixtrans-62.4-56.8-174.5-60170.8000112.5K420 M421 S425 L426 K427K420-I423 PolarHBondContact O-N 2.82Å; M421-I423 VanDerWaalsContact C-N 3.29Å; M421-I423 PolarHBondContact O-N 3.1Å; I423-S425 VanDerWaalsContact C-N 3.28Å; I423-S425 PolarHBondContact O-N 3.03Å; I423-L426 PolarHBondContact O-N 2.95Å; I423-K427 WeakPolarHBondContact O-CB 3.35Å; I423-K427 PolarHBondContact O-N 3.18Å
424P94.5Very high95.7Very high9 Ų939.3 Ų39.36%0.05820%0.197CC..Hα-helixtrans-65.6-31.3178.927.7-37.2000112.8E374 M375 I378 K420 M421 K427 C428E374-P424 HydrophobicContact CB-CB 3.69Å; M375-P424 HydrophobicContact CE-CG 4.06Å; M375-P424 HydrophobicContact SD-CB 4.5Å; M375-P424 HydrophobicContact SD-CG 3.67Å; I378-P424 HydrophobicContact CD1-CG 3.62Å; I378-P424 HydrophobicContact CG1-CG 4.5Å; K420-P424 VanDerWaalsContact O-CD 3.23Å; K420-P424 WeakPolarHBondContact O-CD 3.31Å; M421-P424 WeakPolarHBondContact O-CD 3.21Å; M421-P424 WeakPolarHBondContact O-CG 3.29Å; P424-K427 PolarHBondContact O-N 3.44Å; P424-C428 WeakPolarHBondContact O-CB 3.08Å; P424-C428 PolarHBondContact O-N 3.08Å
425S96.9Very high95.8Very high0 Ų041.9 Ų41.90%021%0.209CC..Hα-helixtrans-66.5-45.2176.7-55.90000111.6M421 K422 I423 C428 A429 Q668M421-S425 WeakPolarHBondContact O-CB 3.27Å; M421-S425 PolarHBondContact O-N 3.39Å; M421-S425 PolarHBondContact O-OG 2.79Å; K422-S425 PolarHBondContact O-N 3.32Å; I423-S425 VanDerWaalsContact C-N 3.28Å; I423-S425 PolarHBondContact O-N 3.03Å; S425-C428 WeakPolarHBondContact O-CB 3.29Å; S425-C428 PolarHBondContact O-N 3.3Å; S425-A429 PolarHBondContact O-N 2.76Å; S425-Q668 PolarHBondContact OG-NE2 3.46Å; S425-Q668 VanDerWaalsContact OG-NE2 3.09Å
426L97.6Very high96Very high33 Ų3338 Ų3817%0.17320%0.195CC..Hα-helixtrans-66.3-41.4175.2-70.1172000111.5K422 I423 C428 A429 D430 R473 I476 V477K422-L426 WeakPolarHBondContact O-CB 3.5Å; K422-L426 VanDerWaalsContact O-CG 3.25Å; K422-L426 WeakPolarHBondContact O-CG 3.43Å; K422-L426 PolarHBondContact O-N 3.46Å; I423-L426 PolarHBondContact O-N 2.95Å; L426-C428 PolarHBondContact O-N 2.9Å; L426-A429 WeakPolarHBondContact O-CA 3.36Å; L426-A429 VanDerWaalsContact O-CB 3.26Å; L426-A429 WeakPolarHBondContact O-CB 2.99Å; L426-A429 PolarHBondContact O-N 3.44Å; L426-D430 PolarHBondContact O-N 3Å; L426-R473 HydrophobicContact CD2-CB 3.74Å; L426-R473 HydrophobicContact CD2-CG 3.81Å; L426-I476 HydrophobicContact CD2-CB 4.32Å; L426-I476 HydrophobicContact CD2-CG2 4.05Å; L426-I476 HydrophobicContact CG-CG2 4.27Å; L426-V477 HydrophobicContact CD1-CG2 4.38Å; L426-V477 HydrophobicContact CD2-CG2 4.33Å
427K96.1Very high96.2Very high78 Ų7836 Ų3634%0.33919%0.19SC..Hα-helixtrans-59.2-36.6174.8-171.3179-171.3177.80112.4E374 I423 P424 A429 D430 L431E374-K427 HydrophobicContact CG-CD 4.47Å; E374-K427 VanDerWaalsContact OE1-CE 3.32Å; E374-K427 WeakPolarHBondContact OE1-CE 2.93Å; E374-K427 IonicContact OE1-NZ 2.83Å; E374-K427 PolarHBondContact OE1-NZ 3.49Å; E374-K427 IonicContact OE2-NZ 2.72Å; I423-K427 WeakPolarHBondContact O-CB 3.35Å; I423-K427 PolarHBondContact O-N 3.18Å; P424-K427 PolarHBondContact O-N 3.44Å; K427-A429 VanDerWaalsContact C-N 3.32Å; K427-D430 PolarHBondContact O-N 3.2Å; K427-L431 VanDerWaalsContact O-CG 3.32Å; K427-L431 WeakPolarHBondContact O-CG 3.29Å; K427-L431 PolarHBondContact O-N 2.84Å
428C97.4Very high96.4Very high3 Ų340.9 Ų40.92%0.0221%0.213CC..Hα-helixtrans-62-40.6173-1770000111.6L371 P424 S425 L426 L431 V432 V672L371-C428 HydrophobicContact CB-CB 4.36Å; L371-C428 HydrophobicContact CD1-CB 3.92Å; P424-C428 WeakPolarHBondContact O-CB 3.08Å; P424-C428 PolarHBondContact O-N 3.08Å; S425-C428 WeakPolarHBondContact O-CB 3.29Å; S425-C428 PolarHBondContact O-N 3.3Å; L426-C428 PolarHBondContact O-N 2.9Å; C428-L431 PolarHBondContact O-N 2.86Å; C428-V432 WeakPolarHBondContact O-CG2 3.33Å; C428-V432 PolarHBondContact O-N 3.32Å; C428-V432 VanDerWaalsContact O-N 3.1Å; C428-V672 HydrophobicContact CB-CG1 4.47Å
429A97.9Very high96.4Very high1 Ų141.3 Ų41.31%0.00822%0.215CC..Hα-helixtrans-62.5-46.9174.800000111.5S425 L426 K427 L431 V432 V433 R473 I476 L676S425-A429 PolarHBondContact O-N 2.76Å; L426-A429 WeakPolarHBondContact O-CA 3.36Å; L426-A429 VanDerWaalsContact O-CB 3.26Å; L426-A429 WeakPolarHBondContact O-CB 2.99Å; L426-A429 PolarHBondContact O-N 3.44Å; K427-A429 VanDerWaalsContact C-N 3.32Å; A429-L431 VanDerWaalsContact C-N 3.3Å; A429-L431 PolarHBondContact O-N 3.43Å; A429-V432 PolarHBondContact O-N 2.95Å; A429-V432 VanDerWaalsContact O-N 3.13Å; A429-V433 WeakPolarHBondContact O-CG2 2.97Å; A429-V433 PolarHBondContact O-N 2.95Å; A429-R473 HydrophobicContact CB-CG 4.44Å; A429-I476 HydrophobicContact CB-CD1 3.79Å; A429-L676 HydrophobicContact CB-CD1 4.36Å; A429-L676 HydrophobicContact CB-CD2 3.68Å
430D97.4Very high96.6Very high72 Ų7237.7 Ų37.739%0.38520%0.196SC..Hα-helixtrans-57.5-43.3178.8-57.6-20.7000111.5L426 K427 V433 A434L426-D430 PolarHBondContact O-N 3Å; K427-D430 PolarHBondContact O-N 3.2Å; D430-V433 PolarHBondContact O-N 3.48Å; D430-A434 WeakPolarHBondContact O-CB 3.34Å; D430-A434 PolarHBondContact O-N 3.4Å
431L97.7Very high96.7Very high59 Ų5938 Ų3831%0.30920%0.198SC..Hα-helixtrans-65-41.7177.6-70173.4000112.1I366 R370 K427 C428 A429 A434 Q435I366-L431 HydrophobicContact CD1-CB 3.8Å; I366-L431 HydrophobicContact CG1-CB 4.23Å; I366-L431 HydrophobicContact CG2-CB 4.01Å; I366-L431 HydrophobicContact CG2-CD1 4.29Å; R370-L431 HydrophobicContact CG-CD1 3.69Å; K427-L431 VanDerWaalsContact O-CG 3.32Å; K427-L431 WeakPolarHBondContact O-CG 3.29Å; K427-L431 PolarHBondContact O-N 2.84Å; C428-L431 PolarHBondContact O-N 2.86Å; A429-L431 VanDerWaalsContact C-N 3.3Å; A429-L431 PolarHBondContact O-N 3.43Å; L431-A434 PolarHBondContact O-N 3.3Å; L431-Q435 WeakPolarHBondContact O-CG 3.27Å; L431-Q435 PolarHBondContact O-N 2.93Å; L431-Q435 VanDerWaalsContact O-N 3.09Å
432V98.3Very high96.8Very high0 Ų040.6 Ų40.60%022%0.22CC..Hα-helixtrans-65.8-42.4177.2171.10000111I363 I366 F367 C428 A429 Q435 L436 L676 L680I363-V432 HydrophobicContact CG2-CG2 4.38Å; I366-V432 HydrophobicContact CD1-CG2 4.37Å; I366-V432 HydrophobicContact CG2-CG2 4.06Å; F367-V432 HydrophobicContact CD1-CG2 4.44Å; F367-V432 HydrophobicContact CE1-CG2 3.57Å; F367-V432 HydrophobicContact CZ-CG2 3.9Å; C428-V432 WeakPolarHBondContact O-CG2 3.33Å; C428-V432 PolarHBondContact O-N 3.32Å; C428-V432 VanDerWaalsContact O-N 3.1Å; A429-V432 PolarHBondContact O-N 2.95Å; A429-V432 VanDerWaalsContact O-N 3.13Å; V432-Q435 PolarHBondContact O-N 3.25Å; V432-L436 HydrophobicContact CG1-CD1 3.84Å; V432-L436 HydrophobicContact CG1-CG 4.36Å; V432-L436 VanDerWaalsContact O-CG 3.3Å; V432-L436 WeakPolarHBondContact O-CG 3.27Å; V432-L436 PolarHBondContact O-N 2.96Å; V432-L676 HydrophobicContact CG2-CD1 4.32Å; V432-L680 HydrophobicContact CG1-CD1 4.21Å
433V98.2Very high96.8Very high15 Ų1538.9 Ų38.99%0.09121%0.213CC..Hα-helixtrans-60.6-46.1176.1168.40000110.9A429 D430 Q435 L436 T437 I465 E469 L680A429-V433 WeakPolarHBondContact O-CG2 2.97Å; A429-V433 PolarHBondContact O-N 2.95Å; D430-V433 PolarHBondContact O-N 3.48Å; V433-Q435 VanDerWaalsContact C-N 3.31Å; V433-Q435 PolarHBondContact O-N 3.02Å; V433-L436 PolarHBondContact O-N 3.43Å; V433-L436 VanDerWaalsContact O-N 3.13Å; V433-T437 PolarHBondContact O-N 2.81Å; V433-T437 PolarHBondContact O-OG1 3.34Å; V433-I465 HydrophobicContact CG1-CG2 3.83Å; V433-E469 HydrophobicContact CG2-CB 3.91Å; V433-E469 HydrophobicContact CG2-CG 3.86Å; V433-L680 HydrophobicContact CG2-CD1 3.97Å; V433-L680 HydrophobicContact CG2-CD2 4.49Å
434A97.6Very high96.9Very high54 Ų5432.9 Ų32.945%0.44618%0.182SC..Hα-helixtrans-58.1-42.4176.100000112.2D430 L431 E438D430-A434 WeakPolarHBondContact O-CB 3.34Å; D430-A434 PolarHBondContact O-N 3.4Å; L431-A434 PolarHBondContact O-N 3.3Å; A434-E438 PolarHBondContact O-N 2.75Å; A434-E438 VanDerWaalsContact O-N 3.14Å
435Q96.8Very high96.8Very high54 Ų5434.2 Ų34.225%0.25219%0.194SC..Hα-helixtrans-65.3-40.5175-67.1-53.4-60.400112.5L362 I363 I366 L431 V432 V433 E438 I439L362-Q435 VanDerWaalsContact CD1-OE1 3.31Å; I363-Q435 HydrophobicContact CG1-CB 4Å; I366-Q435 HydrophobicContact CD1-CG 3.55Å; L431-Q435 WeakPolarHBondContact O-CG 3.27Å; L431-Q435 PolarHBondContact O-N 2.93Å; L431-Q435 VanDerWaalsContact O-N 3.09Å; V432-Q435 PolarHBondContact O-N 3.25Å; V433-Q435 VanDerWaalsContact C-N 3.31Å; V433-Q435 PolarHBondContact O-N 3.02Å; Q435-E438 PolarHBondContact O-N 2.76Å; Q435-I439 WeakPolarHBondContact O-CD1 3.31Å; Q435-I439 VanDerWaalsContact O-CG1 3.22Å; Q435-I439 WeakPolarHBondContact O-CG1 3.36Å; Q435-I439 PolarHBondContact O-N 3.42Å
436L97.9Very high96.5Very high0 Ų041.3 Ų41.30%022%0.221CC..Hα-helixtrans-63.5-42.5177.8-71.7165.2000111.9F341 I345 I363 V432 V433 I439 V440 I465 L680 V681 I684F341-L436 HydrophobicContact CZ-CD2 4.01Å; I345-L436 HydrophobicContact CD1-CD2 3.79Å; I363-L436 HydrophobicContact CD1-CD2 4.01Å; I363-L436 HydrophobicContact CD1-CG 4.29Å; V432-L436 HydrophobicContact CG1-CD1 3.84Å; V432-L436 HydrophobicContact CG1-CG 4.36Å; V432-L436 VanDerWaalsContact O-CG 3.3Å; V432-L436 WeakPolarHBondContact O-CG 3.27Å; V432-L436 PolarHBondContact O-N 2.96Å; V433-L436 PolarHBondContact O-N 3.43Å; V433-L436 VanDerWaalsContact O-N 3.13Å; L436-I439 PolarHBondContact O-N 2.71Å; L436-V440 WeakPolarHBondContact O-CG2 3.5Å; L436-V440 PolarHBondContact O-N 3.01Å; L436-I465 HydrophobicContact CB-CD1 4.26Å; L436-L680 HydrophobicContact CD1-CB 4.16Å; L436-V681 HydrophobicContact CD1-CG2 4.35Å; L436-V681 HydrophobicContact CD2-CG2 4.3Å; L436-I684 HydrophobicContact CD1-CD1 3.71Å; L436-I684 HydrophobicContact CD2-CD1 4.21Å; L436-I684 HydrophobicContact CG-CD1 4.4Å
437T97.7Very high96.2Very high50 Ų5040 Ų4031%0.30721%0.214SC..Hα-helixtrans-61.5-42.5175.4-67.30000111.9V433 I439 V440 H441 N462V433-T437 PolarHBondContact O-N 2.81Å; V433-T437 PolarHBondContact O-OG1 3.34Å; T437-I439 VanDerWaalsContact C-N 3.35Å; T437-I439 PolarHBondContact O-N 3.44Å; T437-V440 PolarHBondContact O-N 3.32Å; T437-H441 PolarHBondContact O-N 3.46Å; T437-N462 WeakPolarHBondContact CG2-OD1 3.39Å; T437-N462 PolarHBondContact OG1-OD1 3.45Å
438E96.5Very high95.8Very high118 Ų11842.3 Ų42.355%0.55123%0.226SC*.Hα-helixtrans-61.7-42.1176.1-172.561.7-148.800111.9A434 Q435 V440 H441 A442A434-E438 PolarHBondContact O-N 2.75Å; A434-E438 VanDerWaalsContact O-N 3.14Å; Q435-E438 PolarHBondContact O-N 2.76Å; E438-V440 PolarHBondContact O-N 3.23Å; E438-H441 PolarHBondContact O-N 3.01Å; E438-A442 PolarHBondContact O-N 3.29Å
439I96.5Very high95.3Very high10 Ų1045.6 Ų45.65%0.05124%0.243CC..Hα-helixtrans-62.8-43.1176.9-66162.6000111.1F341 A344 I345 I363 Q435 L436 T437 H441 A442 C443F341-I439 HydrophobicContact CD2-CG2 3.72Å; F341-I439 HydrophobicContact CE2-CB 4.46Å; F341-I439 HydrophobicContact CE2-CG2 3.84Å; A344-I439 HydrophobicContact CB-CG2 3.58Å; I345-I439 HydrophobicContact CD1-CD1 3.46Å; I345-I439 VanDerWaalsContact CD1-CD1 3.46Å; I345-I439 HydrophobicContact CG1-CD1 4.47Å; I363-I439 HydrophobicContact CD1-CD1 4.31Å; Q435-I439 WeakPolarHBondContact O-CD1 3.31Å; Q435-I439 VanDerWaalsContact O-CG1 3.22Å; Q435-I439 WeakPolarHBondContact O-CG1 3.36Å; Q435-I439 PolarHBondContact O-N 3.42Å; L436-I439 PolarHBondContact O-N 2.71Å; T437-I439 VanDerWaalsContact C-N 3.35Å; T437-I439 PolarHBondContact O-N 3.44Å; I439-H441 VanDerWaalsContact C-N 3.34Å; I439-H441 PolarHBondContact O-N 3.35Å; I439-A442 PolarHBondContact O-N 3.46Å; I439-C443 WeakPolarHBondContact O-CB 3.17Å; I439-C443 PolarHBondContact O-N 2.99Å; I439-C443 PolarHBondContact O-SG 3.29Å; I439-C443 VanDerWaalsContact O-SG 3.35Å
440V97.7Very high95Very high0 Ų046.9 Ų46.90%025%0.249CC..Hα-helixtrans-60.8-44.7176.2170.50000110.7F337 F341 L436 T437 E438 C443 T444 E458 V461 I465F337-V440 HydrophobicContact CZ-CG1 4.31Å; F341-V440 HydrophobicContact CD2-CG2 4.12Å; F341-V440 HydrophobicContact CE2-CG2 3.78Å; L436-V440 WeakPolarHBondContact O-CG2 3.5Å; L436-V440 PolarHBondContact O-N 3.01Å; T437-V440 PolarHBondContact O-N 3.32Å; E438-V440 PolarHBondContact O-N 3.23Å; V440-C443 PolarHBondContact O-N 3.3Å; V440-T444 HydrophobicContact CG1-CG2 4.25Å; V440-T444 WeakPolarHBondContact O-CB 3.25Å; V440-T444 WeakPolarHBondContact O-CG2 3.34Å; V440-T444 PolarHBondContact O-N 3.09Å; V440-T444 PolarHBondContact O-OG1 2.62Å; V440-E458 HydrophobicContact CG1-CG 4.36Å; V440-V461 HydrophobicContact CB-CG1 4.48Å; V440-V461 HydrophobicContact CG1-CB 4.12Å; V440-V461 HydrophobicContact CG1-CG1 4.01Å; V440-V461 HydrophobicContact CG2-CG1 3.58Å; V440-I465 HydrophobicContact CG2-CD1 3.84Å
441H96.5Very high94.8Very high75 Ų7545.5 Ų45.535%0.34724%0.244SC..Hα-helixtrans-59.7-48.1177.1-172.871.1000111.9T437 E438 I439 C443 T444 A445 E458T437-H441 PolarHBondContact O-N 3.46Å; E438-H441 PolarHBondContact O-N 3.01Å; I439-H441 VanDerWaalsContact C-N 3.34Å; I439-H441 PolarHBondContact O-N 3.35Å; H441-C443 VanDerWaalsContact C-N 3.34Å; H441-C443 PolarHBondContact O-N 3.02Å; H441-T444 PolarHBondContact O-N 3.33Å; H441-T444 PolarHBondContact O-OG1 3.17Å; H441-T444 VanDerWaalsContact O-OG1 3.04Å; H441-A445 PolarHBondContact O-N 2.98Å; H441-E458 IonicContact CE1-OE1 3.01Å; H441-E458 IonicContact CG-OE1 3.23Å; H441-E458 IonicContact ND1-OE1 3.63Å; H441-E458 PolarHBondContact ND1-OE1 3.49Å; H441-E458 IonicContact ND1-OE2 2.74Å
442A94.5Very high94.5Very high56 Ų5648.9 Ų48.946%0.46325%0.252SS..Hα-helixtrans-62.1-39178.200000112.8E438 I439E438-A442 PolarHBondContact O-N 3.29Å; I439-A442 PolarHBondContact O-N 3.46Å
443C94.9Very high94.3Very high4 Ų448.9 Ų48.93%0.02725%0.252CS..Hα-helixtrans-71.8-43178-72.10000112.4F337 D340 I439 V440 H441 A445 R446F337-C443 HydrophobicContact CD2-CB 3.67Å; F337-C443 HydrophobicContact CE2-CB 3.48Å; F337-C443 VanDerWaalsContact CE2-CB 3.48Å; D340-C443 HydrophobicContact CB-CB 4.42Å; I439-C443 WeakPolarHBondContact O-CB 3.17Å; I439-C443 PolarHBondContact O-N 2.99Å; I439-C443 PolarHBondContact O-SG 3.29Å; I439-C443 VanDerWaalsContact O-SG 3.35Å; V440-C443 PolarHBondContact O-N 3.3Å; H441-C443 VanDerWaalsContact C-N 3.34Å; H441-C443 PolarHBondContact O-N 3.02Å; C443-A445 VanDerWaalsContact C-N 3.28Å; C443-A445 PolarHBondContact O-N 2.76Å; C443-R446 PolarHBondContact O-N 2.93Å
444T95.8Very high94.1Very high0 Ų051.6 Ų51.60%026%0.261CS..Hα-helixtrans-68.7-25.5178.754.50000112.7F337 V440 H441 R446 M447 R454 T457 E458F337-T444 HydrophobicContact CD2-CG2 3.95Å; F337-T444 HydrophobicContact CE2-CG2 3.37Å; F337-T444 HydrophobicContact CZ-CG2 3.89Å; V440-T444 HydrophobicContact CG1-CG2 4.25Å; V440-T444 WeakPolarHBondContact O-CB 3.25Å; V440-T444 WeakPolarHBondContact O-CG2 3.34Å; V440-T444 PolarHBondContact O-N 3.09Å; V440-T444 PolarHBondContact O-OG1 2.62Å; H441-T444 PolarHBondContact O-N 3.33Å; H441-T444 PolarHBondContact O-OG1 3.17Å; H441-T444 VanDerWaalsContact O-OG1 3.04Å; T444-R446 PolarHBondContact O-N 3.28Å; T444-R446 VanDerWaalsContact O-N 3.11Å; T444-M447 HydrophobicContact CG2-SD 4.26Å; T444-M447 VanDerWaalsContact O-CB 3.28Å; T444-M447 WeakPolarHBondContact O-CB 3.17Å; T444-M447 PolarHBondContact O-N 2.99Å; T444-R454 WeakPolarHBondContact O-CD 3.48Å; T444-R454 WeakPolarHBondContact O-CG 3.45Å; T444-T457 HydrophobicContact CG2-CG2 4.01Å; T444-E458 HydrophobicContact CG2-CB 4.05Å
445A93.4Very high94Very high37 Ų3754.9 Ų54.931%0.30627%0.267SS..G310 helixtrans-55.5-28.4173.800000113.6H441 C443 M447H441-A445 PolarHBondContact O-N 2.98Å; C443-A445 VanDerWaalsContact C-N 3.28Å; C443-A445 PolarHBondContact O-N 2.76Å; A445-M447 PolarHBondContact O-N 3.27Å
446R89.7Confident93.8Very high148 Ų14854.9 Ų54.956%0.55827%0.267SS*.G310 helixtrans-73.4-7.7175.5-69.7-170.1-92.5173.5-8.2114.4D340 C443 T444 E448D340-R446 IonicContact OD1-CZ 3.91Å; D340-R446 IonicContact OD1-NH1 2.81Å; D340-R446 PolarHBondContact OD1-NH1 2.9Å; D340-R446 IonicContact OD1-NH2 2.67Å; D340-R446 PolarHBondContact OD1-NH2 2.92Å; D340-R446 VanDerWaalsContact OD1-NH2 3.07Å; D340-R446 IonicContact OD2-CZ 2.83Å; D340-R446 IonicContact OD2-NE 2.97Å; D340-R446 PolarHBondContact OD2-NE 3.43Å; D340-R446 IonicContact OD2-NH1 3.07Å; D340-R446 PolarHBondContact OD2-NH1 3.45Å; D340-R446 IonicContact OD2-NH2 3.06Å; D340-R446 PolarHBondContact OD2-NH2 2.85Å; C443-R446 PolarHBondContact O-N 2.93Å; T444-R446 PolarHBondContact O-N 3.28Å; T444-R446 VanDerWaalsContact O-N 3.11Å; R446-E448 PolarHBondContact O-N 2.93Å
447M91.8Very high93.8Very high7 Ų754.9 Ų54.93%0.03427%0.267CS..G310 helixtrans-89.723.5175.6-51.61738200111.9T333 F337 T444 A445 N449 F450 L453 R454 T457T333-M447 HydrophobicContact CG2-CB 4.24Å; T333-M447 HydrophobicContact CG2-CE 3.48Å; T333-M447 VanDerWaalsContact CG2-CE 3.48Å; T333-M447 HydrophobicContact CG2-CG 3.86Å; T333-M447 HydrophobicContact CG2-SD 4.49Å; F337-M447 HydrophobicContact CB-SD 4.26Å; F337-M447 HydrophobicContact CD2-SD 4.29Å; F337-M447 HydrophobicContact CG-SD 4.34Å; T444-M447 HydrophobicContact CG2-SD 4.26Å; T444-M447 VanDerWaalsContact O-CB 3.28Å; T444-M447 WeakPolarHBondContact O-CB 3.17Å; T444-M447 PolarHBondContact O-N 2.99Å; A445-M447 PolarHBondContact O-N 3.27Å; M447-N449 PolarHBondContact O-N 2.8Å; M447-F450 CarbonylContact O-C 3.55Å; M447-F450 PolarHBondContact O-N 3.35Å; M447-L453 HydrophobicContact CE-CD1 4.24Å; M447-L453 HydrophobicContact CE-CD2 3.6Å; M447-L453 HydrophobicContact CE-CG 3.53Å; M447-R454 HydrophobicContact CB-CB 3.99Å; M447-T457 HydrophobicContact CE-CG2 4.36Å; M447-T457 HydrophobicContact SD-CG2 4.13Å
448E87.9Confident93.7Very high126 Ų12654.5 Ų54.559%0.58926%0.262SS*.THydrogen-bonded Turntrans-55.8-26.7-174.665.4177.7179.200114.8R446 F450 S709R446-E448 PolarHBondContact O-N 2.93Å; E448-F450 PolarHBondContact O-N 2.71Å; E448-S709 WeakPolarHBondContact O-CB 3.49Å
449N87Confident93.7Very high72 Ų7255 Ų5539%0.38526%0.259SS..THydrogen-bonded Turntrans-65.5-24.5177.6-65.2-24.5000112.4M447 E708 S709 V712M447-N449 PolarHBondContact O-N 2.8Å; N449-E708 CarbonylContact O-C 3.55Å; N449-E708 VanDerWaalsContact O-CA 3.29Å; N449-E708 WeakPolarHBondContact O-CA 3.42Å; N449-S709 PolarHBondContact O-N 3.01Å; N449-V712 HydrophobicContact CB-CG2 4.28Å; N449-V712 WeakPolarHBondContact OD1-CG2 3.42Å
450F91.5Very high93.8Very high27 Ų2755.2 Ų55.212%0.11826%0.26CS..  trans-12979.1-179.2-55.6-66.4000110.2A329 M447 E448 R452 L453 R454 M706A329-F450 HydrophobicContact CB-CZ 4.35Å; M447-F450 CarbonylContact O-C 3.55Å; M447-F450 PolarHBondContact O-N 3.35Å; E448-F450 PolarHBondContact O-N 2.71Å; F450-R452 VanDerWaalsContact C-N 3.31Å; F450-R452 PolarHBondContact O-N 2.9Å; F450-L453 HydrophobicContact CB-CB 3.67Å; F450-L453 HydrophobicContact CB-CD2 4.16Å; F450-L453 HydrophobicContact CD2-CD2 4.35Å; F450-L453 WeakPolarHBondContact O-CB 3.1Å; F450-L453 PolarHBondContact O-N 2.95Å; F450-L453 VanDerWaalsContact O-N 3.11Å; F450-R454 PolarHBondContact O-N 3.39Å; F450-M706 HydrophobicContact CD1-CE 3.93Å; F450-M706 HydrophobicContact CD2-CE 3.97Å; F450-M706 HydrophobicContact CE1-CE 3.72Å; F450-M706 HydrophobicContact CE2-CE 3.77Å; F450-M706 HydrophobicContact CG-CE 4.05Å; F450-M706 HydrophobicContact CZ-CE 3.64Å
451P92.2Very high93.8Very high44 Ų4455.2 Ų55.229%0.28626%0.26SS..Hα-helixtrans-57.5-39.2-172.4-26.835000114.1R454 E455P451-R454 WeakPolarHBondContact O-CB 3.47Å; P451-R454 PolarHBondContact O-N 2.71Å; P451-E455 WeakPolarHBondContact O-CG 3.42Å; P451-E455 PolarHBondContact O-N 3.01Å
452R91.8Very high93.9Very high129 Ų12953.5 Ų53.549%0.48725%0.253SS..Hα-helixtrans-69-41177.7-70.6-178.1175.2-176.96.5112.3F450 R454 E455 E456 S704F450-R452 VanDerWaalsContact C-N 3.31Å; F450-R452 PolarHBondContact O-N 2.9Å; R452-R454 VanDerWaalsContact C-N 3.31Å; R452-R454 PolarHBondContact O-N 3.01Å; R452-E455 PolarHBondContact O-N 2.91Å; R452-E456 WeakPolarHBondContact O-CB 3.3Å; R452-E456 PolarHBondContact O-N 3.35Å; R452-S704 WeakPolarHBondContact CD-O 3.48Å; R452-S704 PolarHBondContact NH1-OG 2.98Å
453L94.1Very high94Very high0 Ų055.1 Ų55.10%025%0.251CS..Hα-helixtrans-60.2-43.4172.5176.762.4000111.2L330 T333 M447 F450 T457 L696 L705 M706L330-L453 HydrophobicContact CD1-CD1 3.42Å; L330-L453 VanDerWaalsContact CD1-CD1 3.42Å; L330-L453 HydrophobicContact CD1-CD2 3.9Å; L330-L453 HydrophobicContact CD1-CG 4.32Å; T333-L453 HydrophobicContact CG2-CD2 3.86Å; M447-L453 HydrophobicContact CE-CD1 4.24Å; M447-L453 HydrophobicContact CE-CD2 3.6Å; M447-L453 HydrophobicContact CE-CG 3.53Å; F450-L453 HydrophobicContact CB-CB 3.67Å; F450-L453 HydrophobicContact CB-CD2 4.16Å; F450-L453 HydrophobicContact CD2-CD2 4.35Å; F450-L453 WeakPolarHBondContact O-CB 3.1Å; F450-L453 PolarHBondContact O-N 2.95Å; F450-L453 VanDerWaalsContact O-N 3.11Å; L453-T457 WeakPolarHBondContact O-CB 3.33Å; L453-T457 PolarHBondContact O-N 3.15Å; L453-T457 PolarHBondContact O-OG1 3.25Å; L453-L696 HydrophobicContact CD1-CD1 3.95Å; L453-L696 HydrophobicContact CD1-CD2 3.98Å; L453-L705 HydrophobicContact CB-CD1 4.26Å; L453-L705 HydrophobicContact CB-CG 4.01Å; L453-L705 WeakPolarHBondContact CB-O 3.36Å; L453-L705 HydrophobicContact CD1-CD1 4.17Å; L453-L705 HydrophobicContact CD1-CD2 3.68Å; L453-L705 HydrophobicContact CD1-CG 3.78Å; L453-L705 HydrophobicContact CG-CG 4.49Å; L453-L705 PolarHBondContact N-O 3.12Å; L453-M706 HydrophobicContact CD2-SD 3.84Å
454R94.8Very high94.1Very high73 Ų7357.3 Ų57.328%0.27526%0.259SS..Hα-helixtrans-56.5-54.8175.3174.4-177.8169.9-177.70.1111.2T444 M447 F450 P451 R452 E456 T457 E458T444-R454 WeakPolarHBondContact O-CD 3.48Å; T444-R454 WeakPolarHBondContact O-CG 3.45Å; M447-R454 HydrophobicContact CB-CB 3.99Å; F450-R454 PolarHBondContact O-N 3.39Å; P451-R454 WeakPolarHBondContact O-CB 3.47Å; P451-R454 PolarHBondContact O-N 2.71Å; R452-R454 VanDerWaalsContact C-N 3.31Å; R452-R454 PolarHBondContact O-N 3.01Å; R454-E456 PolarHBondContact O-N 2.71Å; R454-T457 PolarHBondContact O-N 3.22Å; R454-E458 WeakPolarHBondContact O-CB 3.49Å; R454-E458 PolarHBondContact O-N 2.88Å
455E94.1Very high94.2Very high123 Ų12357.4 Ų57.458%0.57526%0.259SS*.Hα-helixtrans-59.2-47.4-178.4-73.7170.6-17000112P451 R452 E458 R459P451-E455 WeakPolarHBondContact O-CG 3.42Å; P451-E455 PolarHBondContact O-N 3.01Å; R452-E455 PolarHBondContact O-N 2.91Å; E455-E458 PolarHBondContact O-N 3.16Å; E455-R459 VanDerWaalsContact O-CB 3.27Å; E455-R459 WeakPolarHBondContact O-CB 3.23Å; E455-R459 PolarHBondContact O-N 3.39Å
456E94.6Very high94.5Very high53 Ų5363.4 Ų63.425%0.24827%0.274CS..Hα-helixtrans-67.5-38.5178.8-74.2-57137.700112.6R452 R454 R459 I460 L696 L705R452-E456 WeakPolarHBondContact O-CB 3.3Å; R452-E456 PolarHBondContact O-N 3.35Å; R454-E456 PolarHBondContact O-N 2.71Å; E456-R459 PolarHBondContact O-N 2.88Å; E456-R459 IonicContact OE1-NE 3.69Å; E456-R459 IonicContact OE2-CZ 3.77Å; E456-R459 VanDerWaalsContact OE2-CZ 3.26Å; E456-R459 IonicContact OE2-NE 3.6Å; E456-R459 PolarHBondContact OE2-NE 2.93Å; E456-R459 IonicContact OE2-NH2 2.55Å; E456-R459 PolarHBondContact OE2-NH2 3.27Å; E456-I460 WeakPolarHBondContact O-CB 3.35Å; E456-I460 WeakPolarHBondContact O-CD1 3.29Å; E456-I460 WeakPolarHBondContact O-CG1 3.34Å; E456-I460 PolarHBondContact O-N 3.31Å; E456-L696 HydrophobicContact CB-CD2 4.1Å; E456-L705 HydrophobicContact CB-CD1 3.8Å; E456-L705 HydrophobicContact CG-CD1 3.84Å
457T96.5Very high94.8Very high0 Ų059.9 Ų59.90%026%0.264CS..Hα-helixtrans-61.7-49.6175.3-59.60000110.5F337 T444 M447 L453 R454 R459 I460 V461 L692F337-T457 HydrophobicContact CD1-CG2 3.87Å; F337-T457 HydrophobicContact CE1-CG2 3.69Å; F337-T457 HydrophobicContact CE2-CG2 4.49Å; F337-T457 HydrophobicContact CG-CG2 4.32Å; F337-T457 HydrophobicContact CZ-CG2 4.05Å; T444-T457 HydrophobicContact CG2-CG2 4.01Å; M447-T457 HydrophobicContact CE-CG2 4.36Å; M447-T457 HydrophobicContact SD-CG2 4.13Å; L453-T457 WeakPolarHBondContact O-CB 3.33Å; L453-T457 PolarHBondContact O-N 3.15Å; L453-T457 PolarHBondContact O-OG1 3.25Å; R454-T457 PolarHBondContact O-N 3.22Å; T457-R459 VanDerWaalsContact C-N 3.35Å; T457-R459 PolarHBondContact O-N 2.71Å; T457-I460 PolarHBondContact O-N 3.42Å; T457-V461 HydrophobicContact CG2-CG2 4.44Å; T457-V461 VanDerWaalsContact O-CG2 3.25Å; T457-V461 WeakPolarHBondContact O-CG2 3.12Å; T457-V461 PolarHBondContact O-N 3.16Å; T457-L692 HydrophobicContact CG2-CD1 4.3Å; T457-L692 HydrophobicContact CG2-CD2 4.08Å
458E96.8Very high95.1Very high42 Ų4260.9 Ų60.920%0.19627%0.267CS..Hα-helixtrans-61.1-43.3178.7-173168.6-173.200111.5V440 H441 T444 R454 E455 N462V440-E458 HydrophobicContact CG1-CG 4.36Å; H441-E458 IonicContact CE1-OE1 3.01Å; H441-E458 IonicContact CG-OE1 3.23Å; H441-E458 IonicContact ND1-OE1 3.63Å; H441-E458 PolarHBondContact ND1-OE1 3.49Å; H441-E458 IonicContact ND1-OE2 2.74Å; T444-E458 HydrophobicContact CG2-CB 4.05Å; R454-E458 WeakPolarHBondContact O-CB 3.49Å; R454-E458 PolarHBondContact O-N 2.88Å; E455-E458 PolarHBondContact O-N 3.16Å; E458-N462 WeakPolarHBondContact CG-ND2 3.49Å; E458-N462 VanDerWaalsContact O-CB 3.29Å; E458-N462 WeakPolarHBondContact O-CB 3.4Å; E458-N462 PolarHBondContact O-N 2.64Å; E458-N462 PolarHBondContact O-ND2 3.37Å
459R96.7Very high95.6Very high129 Ų12957 Ų5749%0.48725%0.249SC..Hα-helixtrans-61.5-49.4177.5-172.1-17067.670.71.4112.1E455 E456 T457 Q463E455-R459 VanDerWaalsContact O-CB 3.27Å; E455-R459 WeakPolarHBondContact O-CB 3.23Å; E455-R459 PolarHBondContact O-N 3.39Å; E456-R459 PolarHBondContact O-N 2.88Å; E456-R459 IonicContact OE1-NE 3.69Å; E456-R459 IonicContact OE2-CZ 3.77Å; E456-R459 VanDerWaalsContact OE2-CZ 3.26Å; E456-R459 IonicContact OE2-NE 3.6Å; E456-R459 PolarHBondContact OE2-NE 2.93Å; E456-R459 IonicContact OE2-NH2 2.55Å; E456-R459 PolarHBondContact OE2-NH2 3.27Å; T457-R459 VanDerWaalsContact C-N 3.35Å; T457-R459 PolarHBondContact O-N 2.71Å; R459-Q463 WeakPolarHBondContact O-CB 3.12Å; R459-Q463 PolarHBondContact O-N 3.39Å
460I97Very high96.1Very high14 Ų1457.5 Ų57.57%0.07225%0.251CS..Hα-helixtrans-63.7-45.9-178.1-70.7165.8000110.6E456 T457 Q463 W464 F687 L692 N695 L696 A699E456-I460 WeakPolarHBondContact O-CB 3.35Å; E456-I460 WeakPolarHBondContact O-CD1 3.29Å; E456-I460 WeakPolarHBondContact O-CG1 3.34Å; E456-I460 PolarHBondContact O-N 3.31Å; T457-I460 PolarHBondContact O-N 3.42Å; I460-Q463 PolarHBondContact O-N 3.15Å; I460-W464 PolarHBondContact O-N 3.16Å; I460-F687 HydrophobicContact CG2-CE1 3.87Å; I460-F687 HydrophobicContact CG2-CZ 3.55Å; I460-L692 HydrophobicContact CB-CD1 4.45Å; I460-L692 HydrophobicContact CG2-CD1 4Å; I460-N695 HydrophobicContact CD1-CB 4.21Å; I460-N695 HydrophobicContact CG2-CB 4.01Å; I460-L696 HydrophobicContact CD1-CD2 3.75Å; I460-L696 HydrophobicContact CD1-CG 4.18Å; I460-A699 HydrophobicContact CD1-CB 4.02Å
461V97.9Very high96.4Very high0 Ų062.3 Ų62.30%027%0.268CS..Hα-helixtrans-68.4-41.8-178.5179.70000111.1F337 V440 T457 Q463 W464 I465 F687 L688 L692F337-V461 HydrophobicContact CE1-CG2 4Å; F337-V461 HydrophobicContact CZ-CG2 4.24Å; V440-V461 HydrophobicContact CB-CG1 4.48Å; V440-V461 HydrophobicContact CG1-CB 4.12Å; V440-V461 HydrophobicContact CG1-CG1 4.01Å; V440-V461 HydrophobicContact CG2-CG1 3.58Å; T457-V461 HydrophobicContact CG2-CG2 4.44Å; T457-V461 VanDerWaalsContact O-CG2 3.25Å; T457-V461 WeakPolarHBondContact O-CG2 3.12Å; T457-V461 PolarHBondContact O-N 3.16Å; V461-Q463 VanDerWaalsContact C-N 3.34Å; V461-Q463 PolarHBondContact O-N 3.48Å; V461-W464 WeakPolarHBondContact O-CB 3.49Å; V461-W464 PolarHBondContact O-N 2.84Å; V461-I465 HydrophobicContact CG1-CD1 4.16Å; V461-I465 WeakPolarHBondContact O-CG1 3.44Å; V461-I465 PolarHBondContact O-N 3.39Å; V461-F687 HydrophobicContact CG2-CE1 4.4Å; V461-L688 HydrophobicContact CG1-CD2 4.24Å; V461-L688 HydrophobicContact CG2-CD2 3.64Å; V461-L692 HydrophobicContact CG2-CD1 4.02Å; V461-L692 HydrophobicContact CG2-CD2 4.42Å
462N98Very high96.7Very high39 Ų3960.2 Ų60.221%0.20926%0.255CS..Hα-helixtrans-66-35.5176.4-80.4-49.2000112.8T437 E458 W464 I465 R466T437-N462 WeakPolarHBondContact CG2-OD1 3.39Å; T437-N462 PolarHBondContact OG1-OD1 3.45Å; E458-N462 WeakPolarHBondContact CG-ND2 3.49Å; E458-N462 VanDerWaalsContact O-CB 3.29Å; E458-N462 WeakPolarHBondContact O-CB 3.4Å; E458-N462 PolarHBondContact O-N 2.64Å; E458-N462 PolarHBondContact O-ND2 3.37Å; N462-W464 VanDerWaalsContact C-N 3.32Å; N462-I465 PolarHBondContact O-N 3.15Å; N462-R466 PolarHBondContact O-N 2.84Å
463Q97.3Very high97Very high90 Ų9058.3 Ų58.342%0.42125%0.248SC..Hα-helixtrans-60.7-44.2171.5178.560.329.200110.9R459 I460 V461 R466 E467R459-Q463 WeakPolarHBondContact O-CB 3.12Å; R459-Q463 PolarHBondContact O-N 3.39Å; I460-Q463 PolarHBondContact O-N 3.15Å; V461-Q463 VanDerWaalsContact C-N 3.34Å; V461-Q463 PolarHBondContact O-N 3.48Å; Q463-R466 PolarHBondContact O-N 2.85Å; Q463-E467 PolarHBondContact NE2-OE1 3.49Å; Q463-E467 WeakPolarHBondContact O-CG 3.1Å; Q463-E467 PolarHBondContact O-N 3.15Å
464W97.8Very high97.2Very high51 Ų5162.8 Ų62.819%0.19327%0.272CS..Hα-helixtrans-64.3-41.9176.4-170.8-112.8000112.8I460 V461 N462 R466 E467 R468 E683 F687I460-W464 PolarHBondContact O-N 3.16Å; V461-W464 WeakPolarHBondContact O-CB 3.49Å; V461-W464 PolarHBondContact O-N 2.84Å; N462-W464 VanDerWaalsContact C-N 3.32Å; W464-R466 VanDerWaalsContact C-N 3.29Å; W464-R466 PolarHBondContact O-N 3Å; W464-E467 PolarHBondContact O-N 3.19Å; W464-R468 HydrophobicContact CD2-CG 4.44Å; W464-R468 VanDerWaalsContact CH2-NH2 3.26Å; W464-R468 VanDerWaalsContact CZ2-NE 3.35Å; W464-R468 VanDerWaalsContact O-CG 3.31Å; W464-R468 WeakPolarHBondContact O-CG 3.41Å; W464-R468 PolarHBondContact O-N 3.44Å; W464-E683 PolarHBondContact NE1-O 3.25Å; W464-F687 HydrophobicContact CB-CD1 4.38Å; W464-F687 HydrophobicContact CB-CE1 4.32Å; W464-F687 HydrophobicContact CB-CZ 4.43Å; W464-F687 AromaticContact CD1-CD1 3.94Å; W464-F687 AromaticContact CD1-CG 3.58Å; W464-F687 HydrophobicContact CD2-CB 4.46Å; W464-F687 AromaticContact CD2-CD2 3.62Å; W464-F687 HydrophobicContact CD2-CD2 3.62Å; W464-F687 HydrophobicContact CD2-CE2 4.02Å; W464-F687 HydrophobicContact CD2-CG 4.01Å; W464-F687 AromaticContact CE2-CD2 3.51Å; W464-F687 AromaticContact CE2-CG 3.77Å; W464-F687 HydrophobicContact CE3-CD2 4.11Å; W464-F687 HydrophobicContact CE3-CE2 4.17Å; W464-F687 HydrophobicContact CG-CB 4.32Å; W464-F687 HydrophobicContact CG-CD1 4.1Å; W464-F687 AromaticContact CG-CD2 3.88Å; W464-F687 HydrophobicContact CG-CD2 3.88Å; W464-F687 HydrophobicContact CG-CE1 4.44Å; W464-F687 HydrophobicContact CG-CE2 4.23Å; W464-F687 AromaticContact CG-CG 3.83Å; W464-F687 HydrophobicContact CG-CG 3.83Å; W464-F687 HydrophobicContact CH2-CD2 4.27Å; W464-F687 HydrophobicContact CZ2-CB 4.23Å; W464-F687 AromaticContact CZ2-CD2 3.81Å; W464-F687 HydrophobicContact CZ2-CD2 3.81Å; W464-F687 HydrophobicContact CZ2-CG 4.36Å; W464-F687 HydrophobicContact CZ3-CD2 4.43Å; W464-F687 AromaticContact NE1-CD2 3.82Å; W464-F687 AromaticContact NE1-CG 3.56Å
465I98.3Very high97.3Very high2 Ų263.1 Ų63.11%0.0128%0.276CS..Hα-helixtrans-55.3-47.5174.4-71.5169.7000110.2V433 L436 V440 V461 N462 E467 R468 E469 I684V433-I465 HydrophobicContact CG1-CG2 3.83Å; L436-I465 HydrophobicContact CB-CD1 4.26Å; V440-I465 HydrophobicContact CG2-CD1 3.84Å; V461-I465 HydrophobicContact CG1-CD1 4.16Å; V461-I465 WeakPolarHBondContact O-CG1 3.44Å; V461-I465 PolarHBondContact O-N 3.39Å; N462-I465 PolarHBondContact O-N 3.15Å; I465-E467 PolarHBondContact O-N 3.02Å; I465-R468 PolarHBondContact O-N 2.78Å; I465-E469 WeakPolarHBondContact O-CB 3.19Å; I465-E469 PolarHBondContact O-N 3.09Å; I465-I684 HydrophobicContact CD1-CD1 4.4Å; I465-I684 HydrophobicContact CG1-CD1 3.66Å; I465-I684 HydrophobicContact CG1-CG1 4.02Å
466R97.7Very high97.5Very high162 Ų16257.2 Ų57.261%0.61125%0.249SC*.Hα-helixtrans-64.1-39.7-179.9-172.3176.5-176.9173.21.7112.9N462 Q463 W464 R468 E469 I470N462-R466 PolarHBondContact O-N 2.84Å; Q463-R466 PolarHBondContact O-N 2.85Å; W464-R466 VanDerWaalsContact C-N 3.29Å; W464-R466 PolarHBondContact O-N 3Å; R466-R468 VanDerWaalsContact C-N 3.31Å; R466-R468 PolarHBondContact O-N 2.81Å; R466-E469 WeakPolarHBondContact O-CB 3.37Å; R466-E469 PolarHBondContact O-N 2.92Å; R466-I470 WeakPolarHBondContact O-CG1 3.33Å; R466-I470 PolarHBondContact O-N 3.34Å
467E97.4Very high97.6Very high75 Ų7556.8 Ų56.835%0.3525%0.25SC..Hα-helixtrans-64.3-38.4175.4-73.6175-161.200112Q463 W464 I465 R471Q463-E467 PolarHBondContact NE2-OE1 3.49Å; Q463-E467 WeakPolarHBondContact O-CG 3.1Å; Q463-E467 PolarHBondContact O-N 3.15Å; W464-E467 PolarHBondContact O-N 3.19Å; I465-E467 PolarHBondContact O-N 3.02Å; E467-R471 PolarHBondContact O-N 2.92Å
468R98.1Very high97.7Very high27 Ų2760.6 Ų60.610%0.10227%0.27CS..Hα-helixtrans-75.1-33.4177.3-63.2-60.4175.3154.14.7112.9W464 I465 R466 R471 A472 L680 E683W464-R468 HydrophobicContact CD2-CG 4.44Å; W464-R468 VanDerWaalsContact CH2-NH2 3.26Å; W464-R468 VanDerWaalsContact CZ2-NE 3.35Å; W464-R468 VanDerWaalsContact O-CG 3.31Å; W464-R468 WeakPolarHBondContact O-CG 3.41Å; W464-R468 PolarHBondContact O-N 3.44Å; I465-R468 PolarHBondContact O-N 2.78Å; R466-R468 VanDerWaalsContact C-N 3.31Å; R466-R468 PolarHBondContact O-N 2.81Å; R468-R471 PolarHBondContact O-N 3.04Å; R468-A472 WeakPolarHBondContact O-CB 3.21Å; R468-A472 PolarHBondContact O-N 2.88Å; R468-L680 VanDerWaalsContact C-CD2 3.41Å; R468-L680 HydrophobicContact CB-CD2 3.69Å; R468-E683 HydrophobicContact CG-CB 4.36Å; R468-E683 IonicContact CZ-OE2 2.78Å; R468-E683 IonicContact NE-OE2 3.78Å; R468-E683 IonicContact NH1-OE2 3.36Å; R468-E683 PolarHBondContact NH1-OE2 3.14Å; R468-E683 IonicContact NH2-OE2 3.14Å; R468-E683 PolarHBondContact NH2-OE2 3.48Å
469E97.7Very high97.7Very high44 Ų4460 Ų6021%0.20627%0.268CS..Hα-helixtrans-55.8-51.7171.1174.8-169.7173.800111.2V433 I465 R466 R471 A472 R473 L680V433-E469 HydrophobicContact CG2-CB 3.91Å; V433-E469 HydrophobicContact CG2-CG 3.86Å; I465-E469 WeakPolarHBondContact O-CB 3.19Å; I465-E469 PolarHBondContact O-N 3.09Å; R466-E469 WeakPolarHBondContact O-CB 3.37Å; R466-E469 PolarHBondContact O-N 2.92Å; E469-R471 VanDerWaalsContact C-N 3.31Å; E469-R471 PolarHBondContact O-N 3.06Å; E469-A472 PolarHBondContact O-N 3.32Å; E469-A472 VanDerWaalsContact O-N 3.17Å; E469-R473 HydrophobicContact CG-CG 4.32Å; E469-R473 WeakPolarHBondContact O-CB 3.12Å; E469-R473 VanDerWaalsContact O-CG 3.27Å; E469-R473 WeakPolarHBondContact O-CG 3.49Å; E469-R473 PolarHBondContact O-N 2.72Å; E469-L680 HydrophobicContact CB-CD2 4.48Å
470I97.8Very high97.7Very high84 Ų8453.9 Ų53.943%0.43125%0.245SC..Hα-helixtrans-56.9-48.5-179.2-65.7165.7000110.2R466 A472 R473 D474R466-I470 WeakPolarHBondContact O-CG1 3.33Å; R466-I470 PolarHBondContact O-N 3.34Å; I470-A472 PolarHBondContact O-N 2.63Å; I470-R473 PolarHBondContact O-N 3.41Å; I470-D474 PolarHBondContact O-N 2.99Å
471R97.9Very high97.7Very high127 Ų12756.3 Ų56.348%0.47926%0.258SS..Hα-helixtrans-62.6-42.4178.2-65.9-175.5-173.3-174.93.1112.5E467 R468 E469 R473 D474 Q475 M679E467-R471 PolarHBondContact O-N 2.92Å; R468-R471 PolarHBondContact O-N 3.04Å; E469-R471 VanDerWaalsContact C-N 3.31Å; E469-R471 PolarHBondContact O-N 3.06Å; R471-R473 VanDerWaalsContact C-N 3.35Å; R471-D474 PolarHBondContact O-N 3.43Å; R471-Q475 WeakPolarHBondContact O-CG 3.35Å; R471-Q475 PolarHBondContact O-N 3.44Å; R471-Q475 VanDerWaalsContact O-N 3.1Å; R471-M679 HydrophobicContact CB-CE 3.99Å
472A97.9Very high97.6Very high1 Ų160.5 Ų60.51%0.00828%0.279CS..Hα-helixtrans-64.5-40.1178.600000111.6R468 E469 I470 Q475 I476 L676 M679 L680R468-A472 WeakPolarHBondContact O-CB 3.21Å; R468-A472 PolarHBondContact O-N 2.88Å; E469-A472 PolarHBondContact O-N 3.32Å; E469-A472 VanDerWaalsContact O-N 3.17Å; I470-A472 PolarHBondContact O-N 2.63Å; A472-Q475 PolarHBondContact O-N 2.76Å; A472-I476 WeakPolarHBondContact O-CG1 3.21Å; A472-I476 PolarHBondContact O-N 2.95Å; A472-L676 HydrophobicContact CB-CD2 4.19Å; A472-M679 HydrophobicContact CB-CB 4.07Å; A472-L680 HydrophobicContact CB-CD1 4.41Å; A472-L680 HydrophobicContact CB-CD2 4.23Å; A472-L680 HydrophobicContact CB-CG 4.04Å
473R98.1Very high97.5Very high89 Ų8960.2 Ų60.234%0.33628%0.277SS..Hα-helixtrans-63.1-44.3176.3-70.2173.477.8-109.70.7111.6L426 A429 E469 I470 R471 Q475 I476 V477L426-R473 HydrophobicContact CD2-CB 3.74Å; L426-R473 HydrophobicContact CD2-CG 3.81Å; A429-R473 HydrophobicContact CB-CG 4.44Å; E469-R473 HydrophobicContact CG-CG 4.32Å; E469-R473 WeakPolarHBondContact O-CB 3.12Å; E469-R473 VanDerWaalsContact O-CG 3.27Å; E469-R473 WeakPolarHBondContact O-CG 3.49Å; E469-R473 PolarHBondContact O-N 2.72Å; I470-R473 PolarHBondContact O-N 3.41Å; R471-R473 VanDerWaalsContact C-N 3.35Å; R473-Q475 VanDerWaalsContact C-N 3.3Å; R473-Q475 PolarHBondContact O-N 2.98Å; R473-I476 WeakPolarHBondContact O-CB 3.45Å; R473-I476 PolarHBondContact O-N 3.26Å; R473-I476 VanDerWaalsContact O-N 3.17Å; R473-V477 WeakPolarHBondContact O-CG2 3.32Å; R473-V477 PolarHBondContact O-N 3.36Å
474D97.9Very high97.3Very high94 Ų9457.2 Ų57.250%0.50326%0.264SS..Hα-helixtrans-60.5-40.7175.8-67.2-18.4000111.6I470 R471 V477 L478I470-D474 PolarHBondContact O-N 2.99Å; R471-D474 PolarHBondContact O-N 3.43Å; D474-V477 PolarHBondContact O-N 2.87Å; D474-L478 WeakPolarHBondContact O-CB 3.48Å; D474-L478 PolarHBondContact O-N 2.81Å
475Q97.9Very high97.2Very high79 Ų7959 Ų5937%0.36928%0.283SS..Hα-helixtrans-69.4-34.4175.7-65.7-52.3-59.300113R471 A472 R473 V477 L478 L479 L675 M679R471-Q475 WeakPolarHBondContact O-CG 3.35Å; R471-Q475 PolarHBondContact O-N 3.44Å; R471-Q475 VanDerWaalsContact O-N 3.1Å; A472-Q475 PolarHBondContact O-N 2.76Å; R473-Q475 VanDerWaalsContact C-N 3.3Å; R473-Q475 PolarHBondContact O-N 2.98Å; Q475-V477 VanDerWaalsContact C-N 3.34Å; Q475-L478 PolarHBondContact O-N 3.36Å; Q475-L479 WeakPolarHBondContact O-CG 3.21Å; Q475-L479 PolarHBondContact O-N 2.93Å; Q475-L675 HydrophobicContact CB-CD1 3.81Å; Q475-L675 HydrophobicContact CB-CD2 3.68Å; Q475-L675 HydrophobicContact CB-CG 4.27Å; Q475-L675 HydrophobicContact CG-CD1 4.41Å; Q475-M679 HydrophobicContact CG-CE 3.93Å
476I97.9Very high97Very high0 Ų066.1 Ų66.10%031%0.311CS..Hα-helixtrans-62.8-43.4172.8-74.6171.3000110.6L426 A429 A472 R473 L479 V480 V672 L675 L676L426-I476 HydrophobicContact CD2-CB 4.32Å; L426-I476 HydrophobicContact CD2-CG2 4.05Å; L426-I476 HydrophobicContact CG-CG2 4.27Å; A429-I476 HydrophobicContact CB-CD1 3.79Å; A472-I476 WeakPolarHBondContact O-CG1 3.21Å; A472-I476 PolarHBondContact O-N 2.95Å; R473-I476 WeakPolarHBondContact O-CB 3.45Å; R473-I476 PolarHBondContact O-N 3.26Å; R473-I476 VanDerWaalsContact O-N 3.17Å; I476-L479 WeakPolarHBondContact O-CB 3.22Å; I476-L479 PolarHBondContact O-N 2.81Å; I476-V480 PolarHBondContact O-N 2.85Å; I476-V672 HydrophobicContact CD1-CG1 4.43Å; I476-L675 HydrophobicContact CB-CD2 4.43Å; I476-L675 HydrophobicContact CG1-CD2 3.56Å; I476-L676 HydrophobicContact CD1-CD2 3.98Å; I476-L676 HydrophobicContact CD1-CG 4.35Å
477V97.8Very high96.7Very high43 Ų4359.7 Ų59.726%0.26129%0.288SS..Hα-helixtrans-63.3-44.9176.4173.60000110.2L426 R473 D474 Q475 L479 V480 D481L426-V477 HydrophobicContact CD1-CG2 4.38Å; L426-V477 HydrophobicContact CD2-CG2 4.33Å; R473-V477 WeakPolarHBondContact O-CG2 3.32Å; R473-V477 PolarHBondContact O-N 3.36Å; D474-V477 PolarHBondContact O-N 2.87Å; Q475-V477 VanDerWaalsContact C-N 3.34Å; V477-L479 VanDerWaalsContact C-N 3.31Å; V477-L479 PolarHBondContact O-N 2.71Å; V477-V480 PolarHBondContact O-N 3.18Å; V477-V480 VanDerWaalsContact O-N 3.09Å; V477-D481 PolarHBondContact O-N 3.23Å
478L97.4Very high96.5Very high80 Ų8058.8 Ų58.842%0.41929%0.286SS..Hα-helixtrans-58.6-40.1175.318062.2000112.4D474 Q475 V480 D481 I482D474-L478 WeakPolarHBondContact O-CB 3.48Å; D474-L478 PolarHBondContact O-N 2.81Å; Q475-L478 PolarHBondContact O-N 3.36Å; L478-V480 VanDerWaalsContact C-N 3.29Å; L478-V480 PolarHBondContact O-N 3.47Å; L478-D481 PolarHBondContact O-N 3Å; L478-I482 HydrophobicContact CD1-CD1 4.35Å; L478-I482 HydrophobicContact CD1-CG1 4.25Å; L478-I482 HydrophobicContact CG-CD1 4Å; L478-I482 HydrophobicContact CG-CG1 4.38Å; L478-I482 VanDerWaalsContact O-CG1 3.26Å; L478-I482 WeakPolarHBondContact O-CG1 3.29Å; L478-I482 PolarHBondContact O-N 3.28Å
479L96.5Very high96.1Very high30 Ų3060.5 Ų60.516%0.15730%0.3CS..Hα-helixtrans-57.4-44175.2-77.1177.9000111.4Q475 I476 V477 I482 Q483 L671 L675Q475-L479 WeakPolarHBondContact O-CG 3.21Å; Q475-L479 PolarHBondContact O-N 2.93Å; I476-L479 WeakPolarHBondContact O-CB 3.22Å; I476-L479 PolarHBondContact O-N 2.81Å; V477-L479 VanDerWaalsContact C-N 3.31Å; V477-L479 PolarHBondContact O-N 2.71Å; L479-I482 PolarHBondContact O-N 3.12Å; L479-Q483 WeakPolarHBondContact O-CG 3.45Å; L479-Q483 PolarHBondContact O-N 3.45Å; L479-L671 HydrophobicContact CD1-CB 4.02Å; L479-L671 HydrophobicContact CD2-CD1 4Å; L479-L675 HydrophobicContact CD1-CD2 3.75Å; L479-L675 HydrophobicContact CG-CD2 4.49Å
480V96.5Very high95.7Very high1 Ų165 Ų651%0.00633%0.325CS..Hα-helixtrans-69.4-40.4176.9-176.10000111.1I418 K422 I476 V477 L478 I482 Q483 L484I418-V480 HydrophobicContact CG2-CG1 3.91Å; I418-V480 WeakPolarHBondContact O-CG1 3.46Å; K422-V480 HydrophobicContact CD-CG1 4.37Å; K422-V480 HydrophobicContact CG-CB 3.79Å; K422-V480 HydrophobicContact CG-CG1 3.78Å; K422-V480 HydrophobicContact CG-CG2 3.81Å; I476-V480 PolarHBondContact O-N 2.85Å; V477-V480 PolarHBondContact O-N 3.18Å; V477-V480 VanDerWaalsContact O-N 3.09Å; L478-V480 VanDerWaalsContact C-N 3.29Å; L478-V480 PolarHBondContact O-N 3.47Å; V480-I482 VanDerWaalsContact C-N 3.27Å; V480-I482 PolarHBondContact O-N 3.01Å; V480-Q483 WeakPolarHBondContact O-CB 3.29Å; V480-Q483 PolarHBondContact O-N 3.47Å; V480-Q483 VanDerWaalsContact O-N 3.1Å; V480-L484 HydrophobicContact CG1-CD1 4.21Å; V480-L484 HydrophobicContact CG1-CG 4.44Å; V480-L484 WeakPolarHBondContact O-CG 3.31Å; V480-L484 PolarHBondContact O-N 3.42Å
481D97.1Very high95.3Very high65 Ų6563.5 Ų63.535%0.34832%0.316SS..Hα-helixtrans-64.5-31.2177.8-67.1-19.8000112.2K422 V477 L478 L484 S485K422-D481 VanDerWaalsContact CE-OD1 3.25Å; K422-D481 WeakPolarHBondContact CE-OD1 3.37Å; K422-D481 IonicContact NZ-OD1 3.74Å; K422-D481 PolarHBondContact NZ-OD1 3.47Å; V477-D481 PolarHBondContact O-N 3.23Å; L478-D481 PolarHBondContact O-N 3Å; D481-L484 CarbonylContact O-C 3.54Å; D481-L484 PolarHBondContact O-N 2.86Å; D481-S485 WeakPolarHBondContact O-CB 3.41Å; D481-S485 PolarHBondContact O-N 2.97Å
482I96.8Very high94.8Very high87 Ų8765.8 Ų65.845%0.44633%0.333SS..Hα-helixtrans-64.5-46.1170.9-70.7164.2000110.3L478 L479 V480 L484 S485L478-I482 HydrophobicContact CD1-CD1 4.35Å; L478-I482 HydrophobicContact CD1-CG1 4.25Å; L478-I482 HydrophobicContact CG-CD1 4Å; L478-I482 HydrophobicContact CG-CG1 4.38Å; L478-I482 VanDerWaalsContact O-CG1 3.26Å; L478-I482 WeakPolarHBondContact O-CG1 3.29Å; L478-I482 PolarHBondContact O-N 3.28Å; L479-I482 PolarHBondContact O-N 3.12Å; V480-I482 VanDerWaalsContact C-N 3.27Å; V480-I482 PolarHBondContact O-N 3.01Å; I482-L484 PolarHBondContact O-N 2.85Å; I482-S485 PolarHBondContact O-N 2.87Å; I482-S485 VanDerWaalsContact O-N 3.09Å; I482-S485 PolarHBondContact O-OG 2.86Å
483Q94.9Very high94.4Very high34 Ų3469.5 Ų69.516%0.15935%0.352CS..Hα-helixtrans-62.3-34.7175.8-60.3-62.6-29.700111.7I418 L479 V480 V664I418-Q483 HydrophobicContact CG2-CB 3.84Å; L479-Q483 WeakPolarHBondContact O-CG 3.45Å; L479-Q483 PolarHBondContact O-N 3.45Å; V480-Q483 WeakPolarHBondContact O-CB 3.29Å; V480-Q483 PolarHBondContact O-N 3.47Å; V480-Q483 VanDerWaalsContact O-N 3.1Å; Q483-V664 HydrophobicContact CB-CG1 4.14Å; Q483-V664 HydrophobicContact CG-CG1 3.94Å
484L95.1Very high94.1Very high27 Ų2766.2 Ų66.214%0.14134%0.34CS..Hα-helixtrans-72.5-33173.1-69.3170.1000112.1R415 I418 D419 V480 D481 I482 Y486R415-L484 HydrophobicContact CB-CD2 4.11Å; R415-L484 HydrophobicContact CG-CD2 4.36Å; R415-L484 PolarHBondContact NH1-O 3.43Å; R415-L484 WeakPolarHBondContact O-CD2 3.42Å; I418-L484 HydrophobicContact CB-CD2 3.79Å; I418-L484 HydrophobicContact CB-CG 4.46Å; I418-L484 HydrophobicContact CG2-CD2 3.68Å; I418-L484 HydrophobicContact CG2-CG 3.78Å; D419-L484 HydrophobicContact CB-CD1 4.25Å; V480-L484 HydrophobicContact CG1-CD1 4.21Å; V480-L484 HydrophobicContact CG1-CG 4.44Å; V480-L484 WeakPolarHBondContact O-CG 3.31Å; V480-L484 PolarHBondContact O-N 3.42Å; D481-L484 CarbonylContact O-C 3.54Å; D481-L484 PolarHBondContact O-N 2.86Å; I482-L484 PolarHBondContact O-N 2.85Å; L484-Y486 VanDerWaalsContact C-N 3.29Å; L484-Y486 PolarHBondContact O-N 2.78Å
485S95.1Very high93.4Very high87 Ų8764 Ų6461%0.60833%0.328SS*.Hα-helixtrans-65.5-31-173.771.50000113.8D481 I482D481-S485 WeakPolarHBondContact O-CB 3.41Å; D481-S485 PolarHBondContact O-N 2.97Å; I482-S485 PolarHBondContact O-N 2.87Å; I482-S485 VanDerWaalsContact O-N 3.09Å; I482-S485 PolarHBondContact O-OG 2.86Å
486Y94Very high92.7Very high152 Ų15261.3 Ų61.360%0.59632%0.321SS*.  trans-150.4120.5-176.8-179.9-103.6000111.9L484 N488L484-Y486 VanDerWaalsContact C-N 3.29Å; L484-Y486 PolarHBondContact O-N 2.78Å; Y486-N488 HydrophobicContact CD1-CB 4.28Å; Y486-N488 HydrophobicContact CE1-CB 3.86Å
487M91.5Very high91.8Very high27 Ų2766 Ų6613%0.13334%0.342CS..  trans-91.2104.6175.5-65.3-172.1-5000111F410 E411 T414 R415 T489 Y660F410-M487 HydrophobicContact CE1-CE 4.42Å; E411-M487 HydrophobicContact CB-CE 3.6Å; E411-M487 HydrophobicContact CB-SD 4.5Å; E411-M487 HydrophobicContact CG-CE 3.39Å; E411-M487 HydrophobicContact CG-SD 4.19Å; T414-M487 HydrophobicContact CG2-SD 4.19Å; R415-M487 HydrophobicContact CG-SD 4.29Å; M487-T489 PolarHBondContact O-N 2.93Å; M487-Y660 VanDerWaalsContact CA-OH 3.3Å; M487-Y660 WeakPolarHBondContact CA-OH 3.35Å; M487-Y660 HydrophobicContact CG-CE1 4.39Å
488N92.1Very high90.9Very high56 Ų5671.3 Ų71.330%0.29936%0.364SS..  trans-77.181.7177.9-173.815.3000112.9Y486 N490 H491 Y660Y486-N488 HydrophobicContact CD1-CB 4.28Å; Y486-N488 HydrophobicContact CE1-CB 3.86Å; N488-N490 PolarHBondContact O-N 3.21Å; N488-N490 PolarHBondContact OD1-N 3.38Å; N488-H491 VanDerWaalsContact O-CB 3.26Å; N488-H491 WeakPolarHBondContact O-CB 3.48Å; N488-H491 PolarHBondContact O-N 3.28Å; N488-H491 PolarHBondContact OD1-N 2.82Å; N488-Y660 PolarHBondContact N-OH 2.86Å
489T90.5Very high90Very high64 Ų6469.8 Ų69.839%0.39336%0.36SS..THydrogen-bonded Turntrans-73.5-3.8174.758.20000113.8F410 M487 H491 F494F410-T489 HydrophobicContact CE1-CG2 4.1Å; M487-T489 PolarHBondContact O-N 2.93Å; T489-H491 VanDerWaalsContact C-N 3.32Å; T489-F494 HydrophobicContact CG2-CE1 4.14Å; T489-F494 HydrophobicContact CG2-CZ 4.48Å; T489-F494 WeakPolarHBondContact O-CD1 3.48Å
490N89.2Confident89Confident139 Ų13968.3 Ų68.374%0.74335%0.352SS*.THydrogen-bonded Turntrans-93.69.9170.8-67-25.6000112.2N488N488-N490 PolarHBondContact O-N 3.21Å; N488-N490 PolarHBondContact OD1-N 3.38Å
491H89.2Confident88Confident51 Ų5172.4 Ų72.424%0.23637%0.371CS..  trans-62.8137.9177.5-171.2-74.4000110.9N488 T489 D493 F494 I663N488-H491 VanDerWaalsContact O-CB 3.26Å; N488-H491 WeakPolarHBondContact O-CB 3.48Å; N488-H491 PolarHBondContact O-N 3.28Å; N488-H491 PolarHBondContact OD1-N 2.82Å; T489-H491 VanDerWaalsContact C-N 3.32Å; H491-D493 VanDerWaalsContact C-N 3.31Å; H491-D493 IonicContact CE1-OD2 3.97Å; H491-D493 PolarHBondContact ND1-N 3.46Å; H491-D493 PolarHBondContact O-N 3.43Å; H491-F494 HydrophobicContact CB-CB 4.26Å; H491-F494 VanDerWaalsContact O-CB 3.32Å; H491-F494 WeakPolarHBondContact O-CB 3.32Å; H491-F494 PolarHBondContact O-N 2.75Å; H491-I663 HydrophobicContact CB-CD1 4.11Å; H491-I663 WeakPolarHBondContact NE2-CG2 3.17Å
492E88.7Confident86.9Confident176 Ų17675.5 Ų75.582%0.82238%0.384SS*.THydrogen-bonded Turntrans-56.8-39.9-17659.9-177.6-179.200113.9F494E492-F494 VanDerWaalsContact C-N 3.27Å; E492-F494 PolarHBondContact O-N 3.36Å
493D88.5Confident85.4Confident78 Ų7876 Ų7642%0.41738%0.384SS..THydrogen-bonded Turntrans-79.1-0.6177.9-69.3-16000113.8H491 I663 K666H491-D493 VanDerWaalsContact C-N 3.31Å; H491-D493 IonicContact CE1-OD2 3.97Å; H491-D493 PolarHBondContact ND1-N 3.46Å; H491-D493 PolarHBondContact O-N 3.43Å; D493-I663 HydrophobicContact CB-CD1 4.15Å; D493-I663 HydrophobicContact CB-CG1 3.94Å; D493-K666 IonicContact OD2-NZ 3.02Å; D493-K666 PolarHBondContact OD2-NZ 3.07Å
494F91.3Very high83.9Confident21 Ų2175.8 Ų75.89%0.09239%0.386CS..  trans-87.5125.5-179.1-174.4-116000111F410 T489 H491 E492 G496 L656 S659 Y660 I663F410-F494 HydrophobicContact CE1-CZ 4.47Å; F410-F494 HydrophobicContact CE2-CE2 4.4Å; F410-F494 HydrophobicContact CE2-CZ 4.33Å; F410-F494 HydrophobicContact CZ-CE2 4.11Å; F410-F494 AromaticContact CZ-CZ 3.87Å; F410-F494 HydrophobicContact CZ-CZ 3.87Å; T489-F494 HydrophobicContact CG2-CE1 4.14Å; T489-F494 HydrophobicContact CG2-CZ 4.48Å; T489-F494 WeakPolarHBondContact O-CD1 3.48Å; H491-F494 HydrophobicContact CB-CB 4.26Å; H491-F494 VanDerWaalsContact O-CB 3.32Å; H491-F494 WeakPolarHBondContact O-CB 3.32Å; H491-F494 PolarHBondContact O-N 2.75Å; E492-F494 VanDerWaalsContact C-N 3.27Å; E492-F494 PolarHBondContact O-N 3.36Å; F494-G496 PolarHBondContact O-N 3.37Å; F494-G496 VanDerWaalsContact O-N 3.15Å; F494-L656 HydrophobicContact CE1-CD2 4.28Å; F494-L656 HydrophobicContact CE2-CD2 4.31Å; F494-L656 WeakPolarHBondContact CE2-O 3.4Å; F494-L656 HydrophobicContact CZ-CB 4.36Å; F494-L656 HydrophobicContact CZ-CD2 3.69Å; F494-S659 WeakPolarHBondContact CD2-OG 3.48Å; F494-Y660 AromaticContact CD2-CD2 3.88Å; F494-Y660 HydrophobicContact CD2-CD2 3.88Å; F494-Y660 HydrophobicContact CE2-CD2 4.02Å; F494-Y660 HydrophobicContact CE2-CG 4.39Å; F494-I663 HydrophobicContact CB-CD1 3.78Å; F494-I663 HydrophobicContact CD2-CD1 4.36Å
495I84.6Confident82.1Confident47 Ų4779 Ų7924%0.24141%0.411CS..  trans-64.1-23.6-171.363176.9000114.3S499 A500 N655 L656 S659I495-S499 WeakPolarHBondContact O-CB 3.35Å; I495-S499 PolarHBondContact O-OG 3.14Å; I495-A500 HydrophobicContact CD1-CB 3.73Å; I495-A500 HydrophobicContact CG1-CB 4.33Å; I495-N655 HydrophobicContact CD1-CB 4.15Å; I495-N655 WeakPolarHBondContact CD1-O 3.34Å; I495-L656 HydrophobicContact CG1-CD2 4.23Å; I495-S659 WeakPolarHBondContact CG2-OG 3.36Å; I495-S659 PolarHBondContact N-OG 3.45Å; I495-S659 VanDerWaalsContact N-OG 3.09Å
496G82Confident79.5Confident22 Ų2281.7 Ų81.723%0.22741%0.414CS..Hα-helixtrans69.4169.2-173.200000114F494 A500 L656F494-G496 PolarHBondContact O-N 3.37Å; F494-G496 VanDerWaalsContact O-N 3.15Å; G496-A500 WeakPolarHBondContact O-CB 3.44Å; G496-A500 PolarHBondContact O-N 3.33Å; G496-L656 WeakPolarHBondContact O-CD2 3.49Å
497F78.6Confident76.6Confident98 Ų9881.5 Ų81.543%0.4343%0.428SS..Hα-helixtrans-64.1-41.9-176.6-89-87.9000113.5S499 A500 E501 I652 L656F497-S499 PolarHBondContact O-N 2.91Å; F497-A500 PolarHBondContact O-N 2.89Å; F497-E501 PolarHBondContact O-N 3.49Å; F497-I652 HydrophobicContact CD1-CG2 4.36Å; F497-L656 HydrophobicContact CD1-CD1 3.71Å; F497-L656 HydrophobicContact CD2-CD1 4.37Å; F497-L656 HydrophobicContact CE1-CD1 3.43Å; F497-L656 VanDerWaalsContact CE1-CD1 3.43Å; F497-L656 HydrophobicContact CE2-CD1 4.13Å; F497-L656 HydrophobicContact CG-CD1 4.18Å; F497-L656 HydrophobicContact CZ-CD1 3.66Å
498E79.2Confident73.9Confident155 Ų15583.8 Ų83.872%0.72445%0.452SS*.Hα-helixtrans-61.1-45.9-176.8-66.6179.4176.400112E501 Q502E498-E501 PolarHBondContact O-N 3.25Å; E498-Q502 WeakPolarHBondContact O-CG 3.25Å; E498-Q502 PolarHBondContact O-N 3.18Å; E498-Q502 VanDerWaalsContact O-N 3.08Å
499S78.7Confident71.1Confident48 Ų4887.9 Ų87.934%0.33647%0.467SS..Hα-helixtrans-69.2-37177.4-48.20000112.1I495 F497 E501 Q502 Q503I495-S499 WeakPolarHBondContact O-CB 3.35Å; I495-S499 PolarHBondContact O-OG 3.14Å; F497-S499 PolarHBondContact O-N 2.91Å; S499-E501 VanDerWaalsContact C-N 3.33Å; S499-Q502 PolarHBondContact O-N 3.39Å; S499-Q503 WeakPolarHBondContact O-CB 3.17Å; S499-Q503 WeakPolarHBondContact O-CG 3.44Å; S499-Q503 PolarHBondContact O-N 2.96Å
500A75.6Confident68.4Low0 Ų092.4 Ų92.40%049%0.488CS..Hα-helixtrans-65.1-36.9177.200000112.3I495 G496 F497 S504 I652 N655 L656I495-A500 HydrophobicContact CD1-CB 3.73Å; I495-A500 HydrophobicContact CG1-CB 4.33Å; G496-A500 WeakPolarHBondContact O-CB 3.44Å; G496-A500 PolarHBondContact O-N 3.33Å; F497-A500 PolarHBondContact O-N 2.89Å; A500-S504 PolarHBondContact O-N 3.41Å; A500-S504 VanDerWaalsContact O-N 3.14Å; A500-I652 HydrophobicContact CB-CG2 4.29Å; A500-N655 HydrophobicContact CB-CB 4.05Å; A500-N655 PolarHBondContact O-ND2 3.41Å; A500-L656 HydrophobicContact CB-CD2 3.59Å; A500-L656 HydrophobicContact CB-CG 3.72Å
501E75.3Confident65.8Low86 Ų8692.3 Ų92.340%0.40248%0.481SS..Hα-helixtrans-69.8-41.1174.6-171.1174.2-175.900111.9F497 E498 S499 S504 R648 I652F497-E501 PolarHBondContact O-N 3.49Å; E498-E501 PolarHBondContact O-N 3.25Å; S499-E501 VanDerWaalsContact C-N 3.33Å; E501-S504 WeakPolarHBondContact O-CB 3.32Å; E501-S504 PolarHBondContact O-N 2.91Å; E501-S504 PolarHBondContact O-OG 3.03Å; E501-R648 VanDerWaalsContact CG-NH2 3.31Å; E501-R648 IonicContact OE1-CZ 3.36Å; E501-R648 IonicContact OE1-NH1 3.63Å; E501-R648 IonicContact OE1-NH2 2.73Å; E501-R648 PolarHBondContact OE1-NH2 2.74Å; E501-I652 HydrophobicContact CB-CD1 4.25Å; E501-I652 HydrophobicContact CB-CG1 4.47Å; E501-I652 HydrophobicContact CG-CD1 4.01Å
502Q73.5Confident63.5Low130 Ų13094.3 Ų94.361%0.60750%0.499SS*.Hα-helixtrans-62.6-43.8173.5-70.8172.41400111.8E498 S499 S504 S505E498-Q502 WeakPolarHBondContact O-CG 3.25Å; E498-Q502 PolarHBondContact O-N 3.18Å; E498-Q502 VanDerWaalsContact O-N 3.08Å; S499-Q502 PolarHBondContact O-N 3.39Å; Q502-S504 VanDerWaalsContact C-N 3.25Å; Q502-S504 PolarHBondContact O-N 3.36Å; Q502-S505 PolarHBondContact O-N 3.46Å; Q502-S505 PolarHBondContact O-OG 3Å
503Q66.9Low61.5Low97 Ų9788.6 Ų88.645%0.45349%0.488SS..Hα-helixtrans-63.9-27.3176.3-74.8177.95.800113.2S499 S505 E506S499-Q503 WeakPolarHBondContact O-CB 3.17Å; S499-Q503 WeakPolarHBondContact O-CG 3.44Å; S499-Q503 PolarHBondContact O-N 2.96Å; Q503-S505 PolarHBondContact O-N 3.22Å; Q503-E506 CarbonylContact O-C 3.58Å; Q503-E506 PolarHBondContact O-N 2.87Å; Q503-E506 VanDerWaalsContact O-O 3.1Å
504S61.9Low60.1Low30 Ų3090.1 Ų90.121%0.2150%0.496CS..Hα-helixtrans-64.9-21.2174.377.10000113.4A500 E501 Q502A500-S504 PolarHBondContact O-N 3.41Å; A500-S504 VanDerWaalsContact O-N 3.14Å; E501-S504 WeakPolarHBondContact O-CB 3.32Å; E501-S504 PolarHBondContact O-N 2.91Å; E501-S504 PolarHBondContact O-OG 3.03Å; Q502-S504 VanDerWaalsContact C-N 3.25Å; Q502-S504 PolarHBondContact O-N 3.36Å
505S57.1Low59.4Low94 Ų9497 Ų9766%0.65753%0.526SS*.Hα-helixtrans-92.5-15.6178.362.10000114.5Q502 Q503Q502-S505 PolarHBondContact O-N 3.46Å; Q502-S505 PolarHBondContact O-OG 3Å; Q503-S505 PolarHBondContact O-N 3.22Å
506E40.6Very low59.4Low145 Ų14598.6 Ų98.668%0.67854%0.537SS*.  trans-130.8104.8-177.2-68.1-172.1162.700110.6Q503 A508Q503-E506 CarbonylContact O-C 3.58Å; Q503-E506 PolarHBondContact O-N 2.87Å; Q503-E506 VanDerWaalsContact O-O 3.1Å; E506-A508 PolarHBondContact O-N 3.47Å
507V33.7Very low59.3Low147 Ų14799.2 Ų99.289%0.89154%0.535SS*.  trans-71.678.9170.6-176.20000108.8
508A34.5Very low59.7Low76 Ų7697 Ų9763%0.62852%0.524SS*.  trans-94.8106.9-179.500000111.5E506 N510E506-A508 PolarHBondContact O-N 3.47Å; A508-N510 PolarHBondContact O-N 2.9Å
509K33.8Very low60.4Low142 Ų14293.9 Ų93.962%0.61751%0.508SS*.  trans-69.3106.7167.8-70.8-175.3174.6-167.10110D564K509-D564 IonicContact NZ-OD1 3.42Å; K509-D564 PolarHBondContact NZ-OD1 3.33Å; K509-D564 VanDerWaalsContact NZ-OD1 3.16Å; K509-D564 IonicContact NZ-OD2 2.9Å; K509-D564 PolarHBondContact NZ-OD2 3.32Å
510N32.5Very low61Low158 Ų15892.1 Ų92.185%0.84550%0.497SS*.  trans-82.1117.7167.5-86-19.2000110.8A508A508-N510 PolarHBondContact O-N 2.9Å
511K36Very low61.8Low137 Ų13797.4 Ų97.460%0.59652%0.517SS*.  trans-106.4119.7176-75-175.6176.6-176.80111.2
512P40.3Very low62.6Low94 Ų9493.4 Ų93.461%0.6150%0.499SS*.  trans-80.1137.117029.8-29.4000111.2T543P512-T543 HydrophobicContact CG-CG2 4.27Å; P512-T543 WeakPolarHBondContact O-CB 3.4Å; P512-T543 PolarHBondContact O-OG1 3.15Å
513G47.7Very low63.2Low56 Ų5687.9 Ų87.958%0.57747%0.474SS*.  trans-55.2160.6-172.300000116.1K515 T543G513-K515 VanDerWaalsContact C-N 3.32Å; G513-K515 PolarHBondContact O-N 3.27Å; G513-T543 PolarHBondContact O-OG1 3Å; G513-T543 VanDerWaalsContact O-OG1 3.11Å
514N58.5Low64.2Low110 Ų11083.3 Ų83.359%0.58845%0.453SS*.  trans-63.571-167.3-161.42.8000114.6N542N514-N542 PolarHBondContact OD1-ND2 3.47Å
515K75.9Confident64.9Low166 Ų16684.8 Ų84.872%0.72246%0.456SS*.  trans-97.2137.8170.8-75.1-175.7179.3178.40110.4G513 I517 N542 T543G513-K515 VanDerWaalsContact C-N 3.32Å; G513-K515 PolarHBondContact O-N 3.27Å; K515-I517 PolarHBondContact O-N 3.41Å; K515-N542 VanDerWaalsContact O-CA 3.27Å; K515-N542 WeakPolarHBondContact O-CA 3.43Å; K515-N542 VanDerWaalsContact O-CB 3.27Å; K515-N542 WeakPolarHBondContact O-CB 3.29Å; K515-T543 PolarHBondContact O-N 3.29Å
516V84.3Confident65.7Low80 Ų8081.8 Ų81.849%0.48543%0.433SS..EExtended strand (participates in β ladder)trans-68.8124.5171.5179.70000109.4K519 V540V516-K519 HydrophobicContact CG1-CD 4.35Å; V516-K519 HydrophobicContact CG1-CG 3.73Å; V516-V540 HydrophobicContact CG1-CG1 3.88Å; V516-V540 HydrophobicContact CG2-CG1 4.01Å
517I80.2Confident66.7Low35 Ų3575.7 Ų75.718%0.17941%0.406CS..EExtended strand (participates in β ladder)trans-92.5-39.1-179.6-64.3169.7000110.8K515 L541 T543 S615 R618 A619K515-I517 PolarHBondContact O-N 3.41Å; I517-L541 HydrophobicContact CB-CG 4.4Å; I517-L541 HydrophobicContact CG2-CD2 4.39Å; I517-L541 PolarHBondContact N-O 3.2Å; I517-T543 HydrophobicContact CD1-CG2 3.86Å; I517-T543 HydrophobicContact CG1-CG2 4.33Å; I517-S615 WeakPolarHBondContact CG2-O 3.45Å; I517-R618 HydrophobicContact CG2-CB 3.96Å; I517-A619 HydrophobicContact CD1-CB 3.37Å
518R88.4Confident67.7Low51 Ų5171.8 Ų71.819%0.19238%0.382CS..EExtended strand (participates in β ladder)trans-157.6149.7179-177.1164.5-178.6153.2-1.7111.8L541 S611 W612 S615R518-L541 PolarHBondContact N-O 2.84Å; R518-L541 PolarHBondContact O-N 3Å; R518-S611 VanDerWaalsContact CZ-OG 3.28Å; R518-S611 PolarHBondContact NH1-O 3.1Å; R518-S611 PolarHBondContact NH1-OG 2.87Å; R518-S611 PolarHBondContact NH2-OG 3.09Å; R518-W612 HydrophobicContact CB-CZ3 4.24Å; R518-W612 HydrophobicContact CG-CE3 4.24Å; R518-W612 HydrophobicContact CG-CH2 3.93Å; R518-W612 HydrophobicContact CG-CZ2 4.22Å; R518-W612 HydrophobicContact CG-CZ3 3.94Å; R518-S615 WeakPolarHBondContact CD-OG 3.48Å
519K92.2Very high68.3Low90 Ų9073.2 Ų73.239%0.39138%0.379SS..EExtended strand (participates in β ladder)trans-126.3154.5165.2-52.3-172.8173.5-167.80110.2V516 W538 F539 V540 E554V516-K519 HydrophobicContact CG1-CD 4.35Å; V516-K519 HydrophobicContact CG1-CG 3.73Å; K519-W538 HydrophobicContact CB-CH2 4.23Å; K519-W538 HydrophobicContact CB-CZ2 3.48Å; K519-W538 VanDerWaalsContact CB-CZ2 3.48Å; K519-W538 HydrophobicContact CD-CZ2 4.22Å; K519-W538 HydrophobicContact CG-CZ2 4.49Å; K519-F539 CarbonylContact C-O 3.54Å; K519-F539 WeakPolarHBondContact CA-O 3.39Å; K519-V540 HydrophobicContact CD-CG1 4.49Å; K519-V540 HydrophobicContact CD-CG2 4.05Å; K519-V540 HydrophobicContact CG-CB 4.44Å; K519-V540 HydrophobicContact CG-CG1 4.18Å; K519-V540 HydrophobicContact CG-CG2 4.03Å; K519-E554 VanDerWaalsContact CD-OE1 3.3Å; K519-E554 WeakPolarHBondContact CD-OE1 3.38Å; K519-E554 WeakPolarHBondContact CE-OE1 3.25Å; K519-E554 VanDerWaalsContact NZ-CD 3.27Å; K519-E554 IonicContact NZ-OE1 3.09Å; K519-E554 PolarHBondContact NZ-OE1 3.38Å; K519-E554 IonicContact NZ-OE2 3.75Å; K519-E554 PolarHBondContact NZ-OE2 2.83Å
520G91.7Very high68.6Low11 Ų1174.1 Ų74.111%0.11339%0.39CS..EExtended strand (participates in β ladder)trans164168.4172.800000114.1W538 F539G520-W538 VanDerWaalsContact CA-CZ3 3.47Å; G520-F539 PolarHBondContact N-O 3.07Å; G520-F539 PolarHBondContact O-N 2.86Å
521W91.8Very high69.1Low111 Ų11179 Ų7942%0.4240%0.396SS..EExtended strand (participates in β ladder)trans-74.8133.6175.9-65.8103.5000111.5D536 F537 W538 D552W521-D536 HydrophobicContact CE3-CB 3.88Å; W521-D536 HydrophobicContact CZ3-CB 4.35Å; W521-F537 WeakPolarHBondContact CA-O 3.39Å; W521-W538 AromaticContact CD1-CE3 3.72Å; W521-W538 AromaticContact CD1-CZ3 3.6Å; W521-W538 AromaticContact CD2-CE3 3.87Å; W521-W538 HydrophobicContact CD2-CE3 3.87Å; W521-W538 AromaticContact CE2-CE3 3.66Å; W521-W538 HydrophobicContact CE3-CB 4.42Å; W521-W538 AromaticContact CG-CE3 3.9Å; W521-W538 HydrophobicContact CG-CE3 3.9Å; W521-W538 HydrophobicContact CG-CZ3 4.19Å; W521-W538 HydrophobicContact CH2-CB 4.39Å; W521-W538 HydrophobicContact CZ2-CE3 4.28Å; W521-W538 HydrophobicContact CZ3-CB 4.27Å; W521-W538 AromaticContact NE1-CE3 3.53Å; W521-W538 AromaticContact NE1-CZ3 3.55Å; W521-D552 HydrophobicContact CZ2-CB 4.09Å
522L92.1Very high69.6Low2 Ų275 Ų751%0.0139%0.394CS..EExtended strand (participates in β ladder)trans-140.6150.7166.5-66.6168.4000108.4F537 F539 F582 L601 C602 A603 W612L522-F537 PolarHBondContact N-O 3.39Å; L522-F537 VanDerWaalsContact N-O 3.13Å; L522-F537 PolarHBondContact O-N 2.97Å; L522-F539 HydrophobicContact CB-CD2 3.58Å; L522-F539 HydrophobicContact CB-CE2 3.67Å; L522-F539 HydrophobicContact CB-CG 4.4Å; L522-F539 HydrophobicContact CD1-CB 4.36Å; L522-F539 HydrophobicContact CD1-CD2 4.13Å; L522-F539 HydrophobicContact CD1-CG 4.12Å; L522-F539 HydrophobicContact CG-CD2 4.21Å; L522-F582 HydrophobicContact CD1-CZ 4.45Å; L522-L601 HydrophobicContact CB-CD2 4.28Å; L522-L601 HydrophobicContact CD1-CB 4.31Å; L522-L601 HydrophobicContact CD1-CD1 4.09Å; L522-L601 HydrophobicContact CD1-CD2 4.25Å; L522-L601 HydrophobicContact CD1-CG 4.45Å; L522-C602 WeakPolarHBondContact CD2-O 3.32Å; L522-A603 HydrophobicContact CD2-CB 3.84Å; L522-W612 HydrophobicContact CD1-CD2 3.88Å; L522-W612 HydrophobicContact CD1-CE3 4.12Å; L522-W612 HydrophobicContact CD1-CG 4.42Å; L522-W612 HydrophobicContact CD1-CH2 4.12Å; L522-W612 HydrophobicContact CD1-CZ2 3.86Å; L522-W612 HydrophobicContact CD1-CZ3 4.24Å; L522-W612 HydrophobicContact CD2-CD2 4.41Å; L522-W612 HydrophobicContact CD2-CG 4.28Å; L522-W612 HydrophobicContact CG-CD2 4.4Å; L522-W612 HydrophobicContact CG-CZ2 3.95Å
523S87.9Confident70.1Confident13 Ų1373.3 Ų73.39%0.09139%0.394CS..EExtended strand (participates in β ladder)trans-94.3138.8171.841.90000111.2D536 L601 C602S523-D536 VanDerWaalsContact CB-OD1 3.26Å; S523-D536 WeakPolarHBondContact CB-OD1 3.33Å; S523-L601 WeakPolarHBondContact O-CA 3.31Å; S523-C602 PolarHBondContact N-O 3.27Å; S523-C602 PolarHBondContact O-N 3.45Å; S523-C602 VanDerWaalsContact O-N 3.08Å; S523-C602 WeakPolarHBondContact OG-CB 3.45Å; S523-C602 PolarHBondContact OG-O 3.24Å
524L86.1Confident70.8Confident2 Ų274.3 Ų74.31%0.0139%0.386CS..EExtended strand (participates in β ladder)trans-91.3118.2170.7-77.7172.6000110.1K535 F537 F539 W548 L599 L601L524-K535 PolarHBondContact N-O 2.86Å; L524-F537 HydrophobicContact CB-CD2 4.22Å; L524-F537 HydrophobicContact CB-CE2 4.21Å; L524-F537 HydrophobicContact CD1-CD2 3.66Å; L524-F537 HydrophobicContact CD1-CE2 3.8Å; L524-F537 HydrophobicContact CD1-CG 4.45Å; L524-F537 HydrophobicContact CG-CD2 4.02Å; L524-F537 HydrophobicContact CG-CE2 4.35Å; L524-F539 HydrophobicContact CD1-CZ 4.18Å; L524-F539 HydrophobicContact CD2-CZ 3.91Å; L524-F539 HydrophobicContact CG-CE2 4.45Å; L524-F539 HydrophobicContact CG-CZ 3.84Å; L524-W548 HydrophobicContact CD1-CD2 4.45Å; L524-W548 HydrophobicContact CD1-CZ2 4.13Å; L524-L599 HydrophobicContact CD2-CD1 3.42Å; L524-L599 VanDerWaalsContact CD2-CD1 3.42Å; L524-L599 HydrophobicContact CD2-CD2 4.06Å; L524-L599 HydrophobicContact CD2-CG 3.65Å; L524-L601 HydrophobicContact CD2-CD2 3.68Å; L524-L601 HydrophobicContact CG-CD2 4.47Å
525Q77.5Confident71.6Confident60 Ų6075.2 Ų75.228%0.2838%0.384SS..SBendtrans-91.4-46.9-172-171.2177.6-6.300113.6E600 C602Q525-E600 HydrophobicContact CB-CB 3.95Å; Q525-E600 PolarHBondContact N-O 3.44Å; Q525-E600 VanDerWaalsContact N-O 3.1Å; Q525-C602 PolarHBondContact OE1-SG 3.45Å; Q525-C602 VanDerWaalsContact OE1-SG 3.4Å
526N73.5Confident72.1Confident32 Ų3271.9 Ų71.917%0.17138%0.375CS..SBendtrans-93.7-3.6-169.964.8-14.6000114.5Y596 Q598 E600N526-Y596 WeakPolarHBondContact O-CD1 3.45Å; N526-Y596 WeakPolarHBondContact O-CE1 3.31Å; N526-Y596 PolarHBondContact O-OH 2.67Å; N526-Q598 PolarHBondContact ND2-O 2.74Å; N526-E600 HydrophobicContact CB-CB 4.46Å; N526-E600 HydrophobicContact CB-CG 4.31Å; N526-E600 PolarHBondContact OD1-N 2.73Å
527V61Low72.4Confident16 Ų1669.5 Ų69.510%0.09736%0.358CS..  trans-94.8-5.8-171.5166.60000114.5L529 Y593 Y596 L599V527-L529 PolarHBondContact O-N 2.61Å; V527-Y593 HydrophobicContact CB-CD1 4.25Å; V527-Y593 HydrophobicContact CB-CE1 4.19Å; V527-Y593 HydrophobicContact CG1-CD1 3.62Å; V527-Y593 HydrophobicContact CG1-CE1 3.12Å; V527-Y593 HydrophobicContact CG2-CD1 3.56Å; V527-Y593 HydrophobicContact CG2-CE1 4.01Å; V527-Y593 HydrophobicContact CG2-CG 4.34Å; V527-Y596 HydrophobicContact CG2-CD2 4.08Å; V527-Y596 HydrophobicContact CG2-CE2 4.37Å; V527-Y596 HydrophobicContact CG2-CG 4.45Å; V527-L599 HydrophobicContact CG2-CD1 3.79Å
528T56.6Low73Confident66 Ų6669.9 Ų69.941%0.40536%0.357SS..  trans-80.285-174.337.80000113.1L530T528-L530 PolarHBondContact O-N 3.36Å
529L45.7Very low73.4Confident106 Ų10667.5 Ų67.556%0.55535%0.348SS*.  trans-61.6121.5163.1-81.596.2000110.3V527 Y596V527-L529 PolarHBondContact O-N 2.61Å; L529-Y596 HydrophobicContact CD1-CE2 4.11Å
530L39.9Very low73.3Confident161 Ų16163.6 Ų63.684%0.84333%0.332SS*.SBendtrans64.295.9159-60.8156.9000116.5T528T528-L530 PolarHBondContact O-N 3.36Å
531R44.3Very low73.4Confident259 Ų25963 Ų6398%0.97733%0.326SS*.SBendtrans67.876.1156.2-145-179.7-161.7-179.94.3116.3
532G45Very low73.2Confident54 Ų5458.5 Ų58.556%0.55731%0.31SS*.  trans146.3100.515300000116.5
533G51.9Low72.5Confident58 Ų5859.7 Ų59.760%0.59832%0.318SS*.  trans60.8154.4152.700000119.8K535G533-K535 PolarHBondContact O-N 3.43Å
534N62.9Low72.2Confident78 Ų7862.8 Ų62.842%0.41733%0.331SS..PPolyproline II helixtrans-60.7116.4161.4-828.1000107.8
535K74.1Confident72.4Confident128 Ų12863.2 Ų63.256%0.55733%0.334SS*.EExtended strand (participates in β ladder)trans-98.1127.7173.3-75.2-173.8178.3178.30109.5L524 G533 F537L524-K535 PolarHBondContact N-O 2.86Å; G533-K535 PolarHBondContact O-N 3.43Å; K535-F537 HydrophobicContact CB-CD2 4.47Å; K535-F537 HydrophobicContact CB-CE2 3.74Å; K535-F537 HydrophobicContact CB-CZ 3.98Å; K535-F537 WeakPolarHBondContact O-CD2 3.4Å; K535-F537 WeakPolarHBondContact O-CE2 3.27Å
536D86.7Confident73.2Confident97 Ų9760.3 Ų60.352%0.51932%0.32SS..EExtended strand (participates in β ladder)trans-76.5137.5169.5-63.3-33.4000109.5W521 S523W521-D536 HydrophobicContact CE3-CB 3.88Å; W521-D536 HydrophobicContact CZ3-CB 4.35Å; S523-D536 VanDerWaalsContact CB-OD1 3.26Å; S523-D536 WeakPolarHBondContact CB-OD1 3.33Å
537F91.5Very high74.2Confident30 Ų3059.1 Ų59.113%0.13231%0.314CS..EExtended strand (participates in β ladder)trans-126.1152.6173.8-65.1-85.2000109.3W521 L522 L524 K535 F539 W548 Y549 R558W521-F537 WeakPolarHBondContact CA-O 3.39Å; L522-F537 PolarHBondContact N-O 3.39Å; L522-F537 VanDerWaalsContact N-O 3.13Å; L522-F537 PolarHBondContact O-N 2.97Å; L524-F537 HydrophobicContact CB-CD2 4.22Å; L524-F537 HydrophobicContact CB-CE2 4.21Å; L524-F537 HydrophobicContact CD1-CD2 3.66Å; L524-F537 HydrophobicContact CD1-CE2 3.8Å; L524-F537 HydrophobicContact CD1-CG 4.45Å; L524-F537 HydrophobicContact CG-CD2 4.02Å; L524-F537 HydrophobicContact CG-CE2 4.35Å; K535-F537 HydrophobicContact CB-CD2 4.47Å; K535-F537 HydrophobicContact CB-CE2 3.74Å; K535-F537 HydrophobicContact CB-CZ 3.98Å; K535-F537 WeakPolarHBondContact O-CD2 3.4Å; K535-F537 WeakPolarHBondContact O-CE2 3.27Å; F537-F539 HydrophobicContact CB-CD2 4.25Å; F537-F539 HydrophobicContact CB-CE2 3.77Å; F537-F539 HydrophobicContact CB-CZ 4.49Å; F537-F539 VanDerWaalsContact O-CD2 3.32Å; F537-F539 WeakPolarHBondContact O-CD2 3.21Å; F537-W548 HydrophobicContact CB-CB 4.13Å; F537-W548 HydrophobicContact CB-CG 4.44Å; F537-Y549 WeakPolarHBondContact CB-O 3.28Å; F537-Y549 WeakPolarHBondContact CD1-O 3.4Å; F537-R558 HydrophobicContact CD1-CG 4.37Å; F537-R558 HydrophobicContact CE1-CG 4.24Å
538W92.7Very high75.7Confident43 Ų4358.6 Ų58.616%0.16331%0.31CS..EExtended strand (participates in β ladder)trans-85.6113.8174.2-177.7-109.3000109.6K519 G520 W521 W548 Y549 D551 D552 E554K519-W538 HydrophobicContact CB-CH2 4.23Å; K519-W538 HydrophobicContact CB-CZ2 3.48Å; K519-W538 VanDerWaalsContact CB-CZ2 3.48Å; K519-W538 HydrophobicContact CD-CZ2 4.22Å; K519-W538 HydrophobicContact CG-CZ2 4.49Å; G520-W538 VanDerWaalsContact CA-CZ3 3.47Å; W521-W538 AromaticContact CD1-CE3 3.72Å; W521-W538 AromaticContact CD1-CZ3 3.6Å; W521-W538 AromaticContact CD2-CE3 3.87Å; W521-W538 HydrophobicContact CD2-CE3 3.87Å; W521-W538 AromaticContact CE2-CE3 3.66Å; W521-W538 HydrophobicContact CE3-CB 4.42Å; W521-W538 AromaticContact CG-CE3 3.9Å; W521-W538 HydrophobicContact CG-CE3 3.9Å; W521-W538 HydrophobicContact CG-CZ3 4.19Å; W521-W538 HydrophobicContact CH2-CB 4.39Å; W521-W538 HydrophobicContact CZ2-CE3 4.28Å; W521-W538 HydrophobicContact CZ3-CB 4.27Å; W521-W538 AromaticContact NE1-CE3 3.53Å; W521-W538 AromaticContact NE1-CZ3 3.55Å; W538-W548 CarbonylContact O-C 3.6Å; W538-W548 WeakPolarHBondContact O-CA 3.35Å; W538-Y549 PolarHBondContact N-O 2.84Å; W538-Y549 VanDerWaalsContact N-O 3.08Å; W538-Y549 PolarHBondContact O-N 3.45Å; W538-D551 WeakPolarHBondContact CB-O 3.38Å; W538-D552 HydrophobicContact CD2-CB 3.72Å; W538-D552 HydrophobicContact CE3-CB 3.89Å; W538-D552 HydrophobicContact CG-CB 4.04Å; W538-D552 HydrophobicContact CH2-CB 4.49Å; W538-D552 HydrophobicContact CZ2-CB 4.35Å; W538-D552 HydrophobicContact CZ3-CB 4.26Å; W538-E554 PolarHBondContact NE1-OE1 3.41Å
539F95.2Very high77.3Confident0 Ų056.5 Ų56.50%030%0.295CS..EExtended strand (participates in β ladder)trans-97138.1-179.6-76.5-99.6000111.1K519 G520 L522 L524 F537 L546 T547 W548 L601 W612K519-F539 CarbonylContact C-O 3.54Å; K519-F539 WeakPolarHBondContact CA-O 3.39Å; G520-F539 PolarHBondContact N-O 3.07Å; G520-F539 PolarHBondContact O-N 2.86Å; L522-F539 HydrophobicContact CB-CD2 3.58Å; L522-F539 HydrophobicContact CB-CE2 3.67Å; L522-F539 HydrophobicContact CB-CG 4.4Å; L522-F539 HydrophobicContact CD1-CB 4.36Å; L522-F539 HydrophobicContact CD1-CD2 4.13Å; L522-F539 HydrophobicContact CD1-CG 4.12Å; L522-F539 HydrophobicContact CG-CD2 4.21Å; L524-F539 HydrophobicContact CD1-CZ 4.18Å; L524-F539 HydrophobicContact CD2-CZ 3.91Å; L524-F539 HydrophobicContact CG-CE2 4.45Å; L524-F539 HydrophobicContact CG-CZ 3.84Å; F537-F539 HydrophobicContact CB-CD2 4.25Å; F537-F539 HydrophobicContact CB-CE2 3.77Å; F537-F539 HydrophobicContact CB-CZ 4.49Å; F537-F539 VanDerWaalsContact O-CD2 3.32Å; F537-F539 WeakPolarHBondContact O-CD2 3.21Å; F539-L546 HydrophobicContact CB-CD1 4.22Å; F539-L546 HydrophobicContact CD1-CD1 3.69Å; F539-L546 HydrophobicContact CD1-CD2 3.76Å; F539-L546 HydrophobicContact CD1-CG 3.67Å; F539-L546 HydrophobicContact CE1-CD2 3.87Å; F539-L546 HydrophobicContact CE1-CG 4.18Å; F539-L546 HydrophobicContact CG-CD1 4.42Å; F539-T547 CarbonylContact C-O 3.59Å; F539-T547 WeakPolarHBondContact CA-O 3.36Å; F539-W548 HydrophobicContact CD1-CB 3.66Å; F539-W548 HydrophobicContact CD1-CD2 4.41Å; F539-W548 HydrophobicContact CD1-CE3 4.01Å; F539-W548 HydrophobicContact CD1-CG 4.34Å; F539-W548 HydrophobicContact CD2-CB 4.08Å; F539-W548 HydrophobicContact CE1-CB 3.64Å; F539-W548 AromaticContact CE1-CD2 3.68Å; F539-W548 HydrophobicContact CE1-CD2 3.68Å; F539-W548 AromaticContact CE1-CE3 3.38Å; F539-W548 HydrophobicContact CE1-CE3 3.38Å; F539-W548 AromaticContact CE1-CG 3.84Å; F539-W548 HydrophobicContact CE1-CG 3.84Å; F539-W548 HydrophobicContact CE1-CZ3 4.16Å; F539-W548 HydrophobicContact CE2-CB 4.04Å; F539-W548 HydrophobicContact CE2-CG 4.5Å; F539-W548 HydrophobicContact CG-CB 3.91Å; F539-W548 HydrophobicContact CZ-CB 3.82Å; F539-W548 HydrophobicContact CZ-CD2 4.03Å; F539-W548 HydrophobicContact CZ-CE3 4.17Å; F539-W548 AromaticContact CZ-CG 3.92Å; F539-W548 HydrophobicContact CZ-CG 3.92Å; F539-L601 HydrophobicContact CE1-CD2 3.72Å; F539-L601 HydrophobicContact CE2-CD2 4.03Å; F539-L601 HydrophobicContact CZ-CD2 3.4Å; F539-W612 HydrophobicContact CB-CH2 3.83Å; F539-W612 HydrophobicContact CB-CZ2 4.48Å
540V91.9Very high79.3Confident8 Ų857 Ų575%0.04829%0.293CS..EExtended strand (participates in β ladder)trans-122.4111.7172.5-179.30000107.6V516 K519 T547 Y549 E554V516-V540 HydrophobicContact CG1-CG1 3.88Å; V516-V540 HydrophobicContact CG2-CG1 4.01Å; K519-V540 HydrophobicContact CD-CG1 4.49Å; K519-V540 HydrophobicContact CD-CG2 4.05Å; K519-V540 HydrophobicContact CG-CB 4.44Å; K519-V540 HydrophobicContact CG-CG1 4.18Å; K519-V540 HydrophobicContact CG-CG2 4.03Å; V540-T547 PolarHBondContact N-O 2.9Å; V540-T547 PolarHBondContact O-N 3.43Å; V540-Y549 HydrophobicContact CB-CE2 4.14Å; V540-Y549 HydrophobicContact CG2-CD2 4.04Å; V540-Y549 HydrophobicContact CG2-CE2 3.64Å; V540-E554 HydrophobicContact CG2-CG 4.29Å; V540-E554 WeakPolarHBondContact CG2-OE1 3.41Å
541L92.7Very high81.5Confident0 Ų051.2 Ų51.20%026%0.263CS..EExtended strand (participates in β ladder)trans-98.2123.3175.5177.566.5000109.2I517 R518 L546 L563 W612 S615 F616 A619I517-L541 HydrophobicContact CB-CG 4.4Å; I517-L541 HydrophobicContact CG2-CD2 4.39Å; I517-L541 PolarHBondContact N-O 3.2Å; R518-L541 PolarHBondContact N-O 2.84Å; R518-L541 PolarHBondContact O-N 3Å; L541-L546 HydrophobicContact CB-CD1 4.01Å; L541-L546 HydrophobicContact CD1-CB 4.41Å; L541-L546 HydrophobicContact CD1-CD1 4.11Å; L541-L563 HydrophobicContact CD1-CD1 3.57Å; L541-L563 HydrophobicContact CD1-CD2 4.11Å; L541-L563 HydrophobicContact CD1-CG 4.44Å; L541-W612 HydrophobicContact CB-CZ3 4.21Å; L541-S615 VanDerWaalsContact CD2-C 3.49Å; L541-S615 WeakPolarHBondContact CD2-O 3.46Å; L541-F616 HydrophobicContact CD1-CD1 3.76Å; L541-F616 HydrophobicContact CD1-CE1 3.62Å; L541-F616 HydrophobicContact CD1-CZ 4.4Å; L541-F616 HydrophobicContact CD2-CD1 3.96Å; L541-F616 HydrophobicContact CD2-CD2 4.46Å; L541-F616 HydrophobicContact CD2-CE1 4.23Å; L541-F616 HydrophobicContact CD2-CG 4.07Å; L541-A619 HydrophobicContact CD1-CB 3.84Å; L541-A619 HydrophobicContact CD2-CB 4.05Å; L541-A619 HydrophobicContact CG-CB 4.02Å
542N86.9Confident83.4Confident15 Ų1543.3 Ų43.38%0.0824%0.24CC..EExtended strand (participates in β ladder)trans-117.5-174.6167.960.326.1000109.9N514 K515 E544 S545 L563N514-N542 PolarHBondContact OD1-ND2 3.47Å; K515-N542 VanDerWaalsContact O-CA 3.27Å; K515-N542 WeakPolarHBondContact O-CA 3.43Å; K515-N542 VanDerWaalsContact O-CB 3.27Å; K515-N542 WeakPolarHBondContact O-CB 3.29Å; N542-E544 PolarHBondContact O-N 2.76Å; N542-E544 PolarHBondContact OD1-N 3.49Å; N542-E544 VanDerWaalsContact OD1-N 3.12Å; N542-S545 VanDerWaalsContact CG-OG 3.27Å; N542-S545 PolarHBondContact N-O 3.04Å; N542-S545 PolarHBondContact ND2-OG 3.19Å; N542-S545 VanDerWaalsContact OD1-CA 3.28Å; N542-S545 WeakPolarHBondContact OD1-CA 3.3Å; N542-S545 PolarHBondContact OD1-N 3Å; N542-S545 PolarHBondContact OD1-O 2.81Å; N542-S545 PolarHBondContact OD1-OG 2.89Å; N542-L563 VanDerWaalsContact O-CD1 3.29Å; N542-L563 WeakPolarHBondContact O-CD1 3.47Å
543T78.9Confident85.3Confident28 Ų2846.3 Ų46.317%0.17224%0.239CC..SBendtrans-65.7-14.3-178.849.60000114.3P512 G513 K515 I517P512-T543 HydrophobicContact CG-CG2 4.27Å; P512-T543 WeakPolarHBondContact O-CB 3.4Å; P512-T543 PolarHBondContact O-OG1 3.15Å; G513-T543 PolarHBondContact O-OG1 3Å; G513-T543 VanDerWaalsContact O-OG1 3.11Å; K515-T543 PolarHBondContact O-N 3.29Å; I517-T543 HydrophobicContact CD1-CG2 3.86Å; I517-T543 HydrophobicContact CG1-CG2 4.33Å
544E81.3Confident86.9Confident77 Ų7746.3 Ų46.336%0.3622%0.224SC..SBendtrans-124.5-22.1-171.3-61.4-171.7149.900114.4N542 L563N542-E544 PolarHBondContact O-N 2.76Å; N542-E544 PolarHBondContact OD1-N 3.49Å; N542-E544 VanDerWaalsContact OD1-N 3.12Å; E544-L563 PolarHBondContact O-N 2.86Å
545S90.6Very high87.8Confident11 Ų1149.8 Ų49.88%0.07724%0.236CC..EExtended strand (participates in β ladder)trans-151.3150.2-169.266.70000113.3N542 L561N542-S545 VanDerWaalsContact CG-OG 3.27Å; N542-S545 PolarHBondContact N-O 3.04Å; N542-S545 PolarHBondContact ND2-OG 3.19Å; N542-S545 VanDerWaalsContact OD1-CA 3.28Å; N542-S545 WeakPolarHBondContact OD1-CA 3.3Å; N542-S545 PolarHBondContact OD1-N 3Å; N542-S545 PolarHBondContact OD1-O 2.81Å; N542-S545 PolarHBondContact OD1-OG 2.89Å; S545-L561 CarbonylContact C-O 3.48Å; S545-L561 WeakPolarHBondContact CA-O 3.34Å; S545-L561 WeakPolarHBondContact CB-O 3.23Å
546L94.6Very high88.3Confident0 Ų047.5 Ų47.50%023%0.227CC..EExtended strand (participates in β ladder)trans-106.6111.4163.3-178.271.3000107.9F539 L541 L561 L563 L584 L599 L601 F616F539-L546 HydrophobicContact CB-CD1 4.22Å; F539-L546 HydrophobicContact CD1-CD1 3.69Å; F539-L546 HydrophobicContact CD1-CD2 3.76Å; F539-L546 HydrophobicContact CD1-CG 3.67Å; F539-L546 HydrophobicContact CE1-CD2 3.87Å; F539-L546 HydrophobicContact CE1-CG 4.18Å; F539-L546 HydrophobicContact CG-CD1 4.42Å; L541-L546 HydrophobicContact CB-CD1 4.01Å; L541-L546 HydrophobicContact CD1-CB 4.41Å; L541-L546 HydrophobicContact CD1-CD1 4.11Å; L546-L561 HydrophobicContact CB-CB 4.38Å; L546-L561 PolarHBondContact N-O 2.91Å; L546-L561 WeakPolarHBondContact O-CB 3.32Å; L546-L561 PolarHBondContact O-N 3.16Å; L546-L563 HydrophobicContact CB-CD2 3.86Å; L546-L584 HydrophobicContact CD2-CD1 3.59Å; L546-L599 HydrophobicContact CD2-CD2 4.38Å; L546-L601 HydrophobicContact CD2-CD1 4.16Å; L546-F616 HydrophobicContact CB-CE1 4.4Å; L546-F616 HydrophobicContact CD1-CE1 4Å; L546-F616 HydrophobicContact CD1-CZ 3.72Å; L546-F616 HydrophobicContact CD2-CE1 3.99Å; L546-F616 HydrophobicContact CD2-CZ 3.71Å; L546-F616 HydrophobicContact CG-CE1 4.36Å; L546-F616 HydrophobicContact CG-CZ 4.26Å
547T93.1Very high88.3Confident7 Ų748.8 Ų48.84%0.04323%0.228CC..EExtended strand (participates in β ladder)trans-106.8140.9177.4-56.50000109.3F539 V540 Y549 K557 Y559 V560F539-T547 CarbonylContact C-O 3.59Å; F539-T547 WeakPolarHBondContact CA-O 3.36Å; V540-T547 PolarHBondContact N-O 2.9Å; V540-T547 PolarHBondContact O-N 3.43Å; T547-Y549 HydrophobicContact CG2-CD2 4.29Å; T547-Y549 HydrophobicContact CG2-CE1 4.32Å; T547-Y549 HydrophobicContact CG2-CE2 3.53Å; T547-K557 HydrophobicContact CG2-CD 3.98Å; T547-K557 HydrophobicContact CG2-CG 3.76Å; T547-Y559 WeakPolarHBondContact CA-O 3.43Å; T547-Y559 WeakPolarHBondContact CG2-O 3.45Å; T547-V560 HydrophobicContact CG2-CG2 3.99Å
548W92.4Very high88.1Confident4 Ų452.5 Ų52.52%0.01524%0.241CC..EExtended strand (participates in β ladder)trans-127.1149170.161.594.3000113.6L524 F537 W538 F539 R558 Y559 L561 Y593 L599L524-W548 HydrophobicContact CD1-CD2 4.45Å; L524-W548 HydrophobicContact CD1-CZ2 4.13Å; F537-W548 HydrophobicContact CB-CB 4.13Å; F537-W548 HydrophobicContact CB-CG 4.44Å; W538-W548 CarbonylContact O-C 3.6Å; W538-W548 WeakPolarHBondContact O-CA 3.35Å; F539-W548 HydrophobicContact CD1-CB 3.66Å; F539-W548 HydrophobicContact CD1-CD2 4.41Å; F539-W548 HydrophobicContact CD1-CE3 4.01Å; F539-W548 HydrophobicContact CD1-CG 4.34Å; F539-W548 HydrophobicContact CD2-CB 4.08Å; F539-W548 HydrophobicContact CE1-CB 3.64Å; F539-W548 AromaticContact CE1-CD2 3.68Å; F539-W548 HydrophobicContact CE1-CD2 3.68Å; F539-W548 AromaticContact CE1-CE3 3.38Å; F539-W548 HydrophobicContact CE1-CE3 3.38Å; F539-W548 AromaticContact CE1-CG 3.84Å; F539-W548 HydrophobicContact CE1-CG 3.84Å; F539-W548 HydrophobicContact CE1-CZ3 4.16Å; F539-W548 HydrophobicContact CE2-CB 4.04Å; F539-W548 HydrophobicContact CE2-CG 4.5Å; F539-W548 HydrophobicContact CG-CB 3.91Å; F539-W548 HydrophobicContact CZ-CB 3.82Å; F539-W548 HydrophobicContact CZ-CD2 4.03Å; F539-W548 HydrophobicContact CZ-CE3 4.17Å; F539-W548 AromaticContact CZ-CG 3.92Å; F539-W548 HydrophobicContact CZ-CG 3.92Å; W548-R558 WeakPolarHBondContact O-CB 3.41Å; W548-R558 PolarHBondContact O-N 3.11Å; W548-Y559 AromaticContact CH2-CD1 3.24Å; W548-Y559 HydrophobicContact CH2-CD1 3.24Å; W548-Y559 HydrophobicContact CH2-CE1 4.05Å; W548-Y559 AromaticContact CH2-CG 3.81Å; W548-Y559 HydrophobicContact CH2-CG 3.81Å; W548-Y559 AromaticContact CZ2-CD1 3.71Å; W548-Y559 HydrophobicContact CZ2-CD1 3.71Å; W548-Y559 AromaticContact CZ2-CG 3.76Å; W548-Y559 HydrophobicContact CZ2-CG 3.76Å; W548-Y559 AromaticContact CZ3-CD1 3.75Å; W548-Y559 HydrophobicContact CZ3-CD1 3.75Å; W548-Y559 HydrophobicContact CZ3-CG 4.47Å; W548-Y559 PolarHBondContact N-O 2.96Å; W548-Y559 VanDerWaalsContact N-O 3.16Å; W548-L561 HydrophobicContact CZ3-CB 3.96Å; W548-Y593 HydrophobicContact CH2-CD2 4.01Å; W548-Y593 AromaticContact CZ2-CD2 3.79Å; W548-Y593 HydrophobicContact CZ2-CD2 3.79Å; W548-Y593 AromaticContact CZ2-CE2 3.87Å; W548-Y593 HydrophobicContact CZ2-CE2 3.87Å; W548-L599 HydrophobicContact CH2-CD1 4.14Å; W548-L599 HydrophobicContact CH2-CD2 3.87Å; W548-L599 HydrophobicContact CZ3-CD2 3.82Å
549Y91.3Very high87.9Confident23 Ų2354.2 Ų54.29%0.0925%0.248CC..EExtended strand (participates in β ladder)trans-123.8158.6-173.7-58.9-94.2000109.8F537 W538 V540 T547 D551 E554 E556 K557F537-Y549 WeakPolarHBondContact CB-O 3.28Å; F537-Y549 WeakPolarHBondContact CD1-O 3.4Å; W538-Y549 PolarHBondContact N-O 2.84Å; W538-Y549 VanDerWaalsContact N-O 3.08Å; W538-Y549 PolarHBondContact O-N 3.45Å; V540-Y549 HydrophobicContact CB-CE2 4.14Å; V540-Y549 HydrophobicContact CG2-CD2 4.04Å; V540-Y549 HydrophobicContact CG2-CE2 3.64Å; T547-Y549 HydrophobicContact CG2-CD2 4.29Å; T547-Y549 HydrophobicContact CG2-CE1 4.32Å; T547-Y549 HydrophobicContact CG2-CE2 3.53Å; Y549-D551 VanDerWaalsContact CB-O 3.28Å; Y549-D551 WeakPolarHBondContact CB-O 3.27Å; Y549-D551 PolarHBondContact O-N 2.7Å; Y549-E554 VanDerWaalsContact CD1-C 3.47Å; Y549-E554 VanDerWaalsContact CD1-CA 3.47Å; Y549-E554 HydrophobicContact CD1-CB 3.99Å; Y549-E554 HydrophobicContact CD1-CG 4.45Å; Y549-E554 WeakPolarHBondContact CD1-O 3.44Å; Y549-E554 HydrophobicContact CD2-CB 4.31Å; Y549-E554 HydrophobicContact CD2-CG 3.89Å; Y549-E554 HydrophobicContact CE1-CB 3.94Å; Y549-E554 WeakPolarHBondContact CE1-O 3.28Å; Y549-E554 HydrophobicContact CE2-CB 4.26Å; Y549-E554 HydrophobicContact CE2-CG 3.95Å; Y549-E554 HydrophobicContact CG-CB 4.18Å; Y549-E554 HydrophobicContact CG-CG 4.15Å; Y549-E556 WeakPolarHBondContact CA-O 3.3Å; Y549-K557 HydrophobicContact CD1-CB 3.99Å; Y549-K557 HydrophobicContact CE1-CB 3.7Å; Y549-K557 HydrophobicContact CE1-CG 4.04Å; Y549-K557 WeakPolarHBondContact OH-CE 3.49Å
550K87Confident87.7Confident115 Ų11557 Ų5750%0.527%0.265SS..SBendtrans-63-33.6174.6-169.3-167.4-179-177.80112E556K550-E556 HydrophobicContact CB-CB 4.38Å; K550-E556 WeakPolarHBondContact CD-OE2 3.18Å; K550-E556 PolarHBondContact N-O 3.08Å
551D86.1Confident87.7Confident40 Ų4056.8 Ų56.821%0.21426%0.263CS..SBendtrans-143.6167.2-17445.748000110.9W538 Y549 E553 E554W538-D551 WeakPolarHBondContact CB-O 3.38Å; Y549-D551 VanDerWaalsContact CB-O 3.28Å; Y549-D551 WeakPolarHBondContact CB-O 3.27Å; Y549-D551 PolarHBondContact O-N 2.7Å; D551-E553 PolarHBondContact O-N 3.06Å; D551-E554 PolarHBondContact O-N 2.91Å
552D85.6Confident87.6Confident94 Ų9462.1 Ų62.150%0.50329%0.291SS..THydrogen-bonded Turntrans-73.5-8.2177.762.7-26.3000113.7W521 W538 E554W521-D552 HydrophobicContact CZ2-CB 4.09Å; W538-D552 HydrophobicContact CD2-CB 3.72Å; W538-D552 HydrophobicContact CE3-CB 3.89Å; W538-D552 HydrophobicContact CG-CB 4.04Å; W538-D552 HydrophobicContact CH2-CB 4.49Å; W538-D552 HydrophobicContact CZ2-CB 4.35Å; W538-D552 HydrophobicContact CZ3-CB 4.26Å; D552-E554 PolarHBondContact O-N 3.43Å
553E83.6Confident87.6Confident116 Ų11661.8 Ų61.854%0.54229%0.289SS..THydrogen-bonded Turntrans-73.3-8.4170.2-59.2-167.8124.800112.9D551 K555D551-E553 PolarHBondContact O-N 3.06Å; E553-K555 HydrophobicContact CB-CD 4.08Å; E553-K555 HydrophobicContact CB-CG 3.96Å; E553-K555 PolarHBondContact O-N 2.84Å; E553-K555 IonicContact OE1-NZ 3.12Å; E553-K555 PolarHBondContact OE1-NZ 3.16Å; E553-K555 WeakPolarHBondContact OE2-CD 3.45Å; E553-K555 WeakPolarHBondContact OE2-CE 3.45Å; E553-K555 IonicContact OE2-NZ 3.91Å; E553-K555 PolarHBondContact OE2-NZ 3.09Å
554E85.8Confident87.9Confident58 Ų5864.9 Ų64.927%0.27131%0.305SS..  trans5721.9176.9-64.7172.7-158.200113.7K519 W538 V540 Y549 D551 D552K519-E554 VanDerWaalsContact CD-OE1 3.3Å; K519-E554 WeakPolarHBondContact CD-OE1 3.38Å; K519-E554 WeakPolarHBondContact CE-OE1 3.25Å; K519-E554 VanDerWaalsContact NZ-CD 3.27Å; K519-E554 IonicContact NZ-OE1 3.09Å; K519-E554 PolarHBondContact NZ-OE1 3.38Å; K519-E554 IonicContact NZ-OE2 3.75Å; K519-E554 PolarHBondContact NZ-OE2 2.83Å; W538-E554 PolarHBondContact NE1-OE1 3.41Å; V540-E554 HydrophobicContact CG2-CG 4.29Å; V540-E554 WeakPolarHBondContact CG2-OE1 3.41Å; Y549-E554 VanDerWaalsContact CD1-C 3.47Å; Y549-E554 VanDerWaalsContact CD1-CA 3.47Å; Y549-E554 HydrophobicContact CD1-CB 3.99Å; Y549-E554 HydrophobicContact CD1-CG 4.45Å; Y549-E554 WeakPolarHBondContact CD1-O 3.44Å; Y549-E554 HydrophobicContact CD2-CB 4.31Å; Y549-E554 HydrophobicContact CD2-CG 3.89Å; Y549-E554 HydrophobicContact CE1-CB 3.94Å; Y549-E554 WeakPolarHBondContact CE1-O 3.28Å; Y549-E554 HydrophobicContact CE2-CB 4.26Å; Y549-E554 HydrophobicContact CE2-CG 3.95Å; Y549-E554 HydrophobicContact CG-CB 4.18Å; Y549-E554 HydrophobicContact CG-CG 4.15Å; D551-E554 PolarHBondContact O-N 2.91Å; D552-E554 PolarHBondContact O-N 3.43Å
555K82.4Confident87.9Confident152 Ų15263.4 Ų63.466%0.66131%0.31SS*.  trans-77.8-43.7-175.6-71.2178.2-175.2160.70112.8E553E553-K555 HydrophobicContact CB-CD 4.08Å; E553-K555 HydrophobicContact CB-CG 3.96Å; E553-K555 PolarHBondContact O-N 2.84Å; E553-K555 IonicContact OE1-NZ 3.12Å; E553-K555 PolarHBondContact OE1-NZ 3.16Å; E553-K555 WeakPolarHBondContact OE2-CD 3.45Å; E553-K555 WeakPolarHBondContact OE2-CE 3.45Å; E553-K555 IonicContact OE2-NZ 3.91Å; E553-K555 PolarHBondContact OE2-NZ 3.09Å
556E83.2Confident87.9Confident80 Ų8063.2 Ų63.237%0.37431%0.308SS..SBendtrans-109.691.4-176.6-163.3-173.1165.300110.7Y549 K550 R558Y549-E556 WeakPolarHBondContact CA-O 3.3Å; K550-E556 HydrophobicContact CB-CB 4.38Å; K550-E556 WeakPolarHBondContact CD-OE2 3.18Å; K550-E556 PolarHBondContact N-O 3.08Å; E556-R558 PolarHBondContact O-N 3.02Å; E556-R558 IonicContact OE1-CZ 2.85Å; E556-R558 IonicContact OE1-NH1 2.67Å; E556-R558 PolarHBondContact OE1-NH1 3.23Å; E556-R558 IonicContact OE1-NH2 2.61Å; E556-R558 PolarHBondContact OE1-NH2 2.67Å; E556-R558 IonicContact OE2-CZ 3.28Å; E556-R558 IonicContact OE2-NH2 2.67Å; E556-R558 PolarHBondContact OE2-NH2 3.5Å
557K87.5Confident87.6Confident123 Ų12366.7 Ų66.754%0.53532%0.323SS..EExtended strand (participates in β ladder)trans-67.8120.2176.6-174.1177.6-70-169.50110.5T547 Y549 V560T547-K557 HydrophobicContact CG2-CD 3.98Å; T547-K557 HydrophobicContact CG2-CG 3.76Å; Y549-K557 HydrophobicContact CD1-CB 3.99Å; Y549-K557 HydrophobicContact CE1-CB 3.7Å; Y549-K557 HydrophobicContact CE1-CG 4.04Å; Y549-K557 WeakPolarHBondContact OH-CE 3.49Å; K557-V560 HydrophobicContact CD-CG2 3.62Å; K557-V560 HydrophobicContact CG-CG2 4.31Å
558R86.8Confident87.5Confident108 Ų10866.5 Ų66.541%0.40832%0.322SS..EExtended strand (participates in β ladder)trans-88-45.2-179.4-69.8-71.8-177-149.2-13.6112.4F537 W548 E556F537-R558 HydrophobicContact CD1-CG 4.37Å; F537-R558 HydrophobicContact CE1-CG 4.24Å; W548-R558 WeakPolarHBondContact O-CB 3.41Å; W548-R558 PolarHBondContact O-N 3.11Å; E556-R558 PolarHBondContact O-N 3.02Å; E556-R558 IonicContact OE1-CZ 2.85Å; E556-R558 IonicContact OE1-NH1 2.67Å; E556-R558 PolarHBondContact OE1-NH1 3.23Å; E556-R558 IonicContact OE1-NH2 2.61Å; E556-R558 PolarHBondContact OE1-NH2 2.67Å; E556-R558 IonicContact OE2-CZ 3.28Å; E556-R558 IonicContact OE2-NH2 2.67Å; E556-R558 PolarHBondContact OE2-NH2 3.5Å
559Y90.1Very high87.3Confident80 Ų8070.7 Ų70.731%0.31434%0.338SS..EExtended strand (participates in β ladder)trans-161.2153.7-177.9-162.8-103000110.9T547 W548 L561 V592 Y593T547-Y559 WeakPolarHBondContact CA-O 3.43Å; T547-Y559 WeakPolarHBondContact CG2-O 3.45Å; W548-Y559 AromaticContact CH2-CD1 3.24Å; W548-Y559 HydrophobicContact CH2-CD1 3.24Å; W548-Y559 HydrophobicContact CH2-CE1 4.05Å; W548-Y559 AromaticContact CH2-CG 3.81Å; W548-Y559 HydrophobicContact CH2-CG 3.81Å; W548-Y559 AromaticContact CZ2-CD1 3.71Å; W548-Y559 HydrophobicContact CZ2-CD1 3.71Å; W548-Y559 AromaticContact CZ2-CG 3.76Å; W548-Y559 HydrophobicContact CZ2-CG 3.76Å; W548-Y559 AromaticContact CZ3-CD1 3.75Å; W548-Y559 HydrophobicContact CZ3-CD1 3.75Å; W548-Y559 HydrophobicContact CZ3-CG 4.47Å; W548-Y559 PolarHBondContact N-O 2.96Å; W548-Y559 VanDerWaalsContact N-O 3.16Å; Y559-L561 HydrophobicContact CD1-CB 4.16Å; Y559-L561 HydrophobicContact CE1-CB 4.06Å; Y559-L561 HydrophobicContact CE1-CD1 4.34Å; Y559-V592 PolarHBondContact OH-O 2.63Å; Y559-Y593 AromaticContact CD1-CD2 3.76Å; Y559-Y593 HydrophobicContact CD1-CD2 3.76Å; Y559-Y593 HydrophobicContact CD1-CE2 4.22Å; Y559-Y593 AromaticContact CD2-CD2 3.62Å; Y559-Y593 HydrophobicContact CD2-CD2 3.62Å; Y559-Y593 AromaticContact CD2-CE2 3.43Å; Y559-Y593 HydrophobicContact CD2-CE2 3.43Å; Y559-Y593 VanDerWaalsContact CD2-CE2 3.43Å; Y559-Y593 AromaticContact CE1-CD2 3.72Å; Y559-Y593 HydrophobicContact CE1-CD2 3.72Å; Y559-Y593 HydrophobicContact CE1-CE2 4.49Å; Y559-Y593 AromaticContact CE2-CD2 3.57Å; Y559-Y593 HydrophobicContact CE2-CD2 3.57Å; Y559-Y593 AromaticContact CE2-CE2 3.75Å; Y559-Y593 HydrophobicContact CE2-CE2 3.75Å; Y559-Y593 AromaticContact CG-CD2 3.69Å; Y559-Y593 HydrophobicContact CG-CD2 3.69Å; Y559-Y593 AromaticContact CG-CE2 3.66Å; Y559-Y593 HydrophobicContact CG-CE2 3.66Å; Y559-Y593 AromaticContact CZ-CD2 3.6Å
560V91Very high87.1Confident59 Ų5974.5 Ų74.536%0.35836%0.36SS..EExtended strand (participates in β ladder)trans-122.3114.4171.1-176.50000107.1T547 K557T547-V560 HydrophobicContact CG2-CG2 3.99Å; K557-V560 HydrophobicContact CD-CG2 3.62Å; K557-V560 HydrophobicContact CG-CG2 4.31Å
561L92.1Very high86.9Confident3 Ų371.1 Ų71.12%0.01635%0.347CS..EExtended strand (participates in β ladder)trans-97.7123.2173.7176.562.1000109S545 L546 W548 Y559 L566 L584 V592 L599S545-L561 CarbonylContact C-O 3.48Å; S545-L561 WeakPolarHBondContact CA-O 3.34Å; S545-L561 WeakPolarHBondContact CB-O 3.23Å; L546-L561 HydrophobicContact CB-CB 4.38Å; L546-L561 PolarHBondContact N-O 2.91Å; L546-L561 WeakPolarHBondContact O-CB 3.32Å; L546-L561 PolarHBondContact O-N 3.16Å; W548-L561 HydrophobicContact CZ3-CB 3.96Å; Y559-L561 HydrophobicContact CD1-CB 4.16Å; Y559-L561 HydrophobicContact CE1-CB 4.06Å; Y559-L561 HydrophobicContact CE1-CD1 4.34Å; L561-L566 HydrophobicContact CD1-CD1 3.97Å; L561-L566 HydrophobicContact CD2-CD1 3.56Å; L561-L566 HydrophobicContact CG-CD1 3.61Å; L561-L584 HydrophobicContact CD2-CD1 4.3Å; L561-V592 HydrophobicContact CD1-CG1 3.63Å; L561-V592 WeakPolarHBondContact CD1-O 3.15Å; L561-V592 HydrophobicContact CD2-CG1 3.56Å; L561-V592 HydrophobicContact CG-CG1 4.25Å; L561-L599 HydrophobicContact CD2-CD2 4.02Å
562L90.1Very high86Confident111 Ų11177.7 Ų77.758%0.58138%0.376SS*.EExtended strand (participates in β ladder)trans-76.9135.6174.5-63.2176.2000110.3L566 Y586L562-L566 WeakPolarHBondContact O-CD1 3.2Å; L562-Y586 PolarHBondContact O-OH 3.33Å
563L86.7Confident84.6Confident8 Ų877.2 Ų77.24%0.04238%0.377CS..  trans-78-20.7-175-60.7-176.7000114.2L541 N542 E544 L546 G565 L566 F616 A619 V621L541-L563 HydrophobicContact CD1-CD1 3.57Å; L541-L563 HydrophobicContact CD1-CD2 4.11Å; L541-L563 HydrophobicContact CD1-CG 4.44Å; N542-L563 VanDerWaalsContact O-CD1 3.29Å; N542-L563 WeakPolarHBondContact O-CD1 3.47Å; E544-L563 PolarHBondContact O-N 2.86Å; L546-L563 HydrophobicContact CB-CD2 3.86Å; L563-G565 PolarHBondContact O-N 2.94Å; L563-L566 HydrophobicContact CD2-CD1 4.41Å; L563-L566 WeakPolarHBondContact O-CB 3.45Å; L563-L566 PolarHBondContact O-N 2.71Å; L563-F616 HydrophobicContact CD2-CE1 4.34Å; L563-A619 HydrophobicContact CD1-CB 3.55Å; L563-V621 HydrophobicContact CB-CG2 3.77Å; L563-V621 HydrophobicContact CD1-CG2 4.03Å; L563-V621 HydrophobicContact CD2-CG2 3.88Å; L563-V621 HydrophobicContact CG-CG2 4.06Å
564D83.9Confident83.1Confident94 Ų9474.2 Ų74.250%0.50338%0.377SS..THydrogen-bonded Turntrans-59.3120.5-175.3-164.923.8000110.4K509 Y586K509-D564 IonicContact NZ-OD1 3.42Å; K509-D564 PolarHBondContact NZ-OD1 3.33Å; K509-D564 VanDerWaalsContact NZ-OD1 3.16Å; K509-D564 IonicContact NZ-OD2 2.9Å; K509-D564 PolarHBondContact NZ-OD2 3.32Å; D564-Y586 WeakPolarHBondContact O-CE1 3.16Å
565G82.4Confident81.4Confident45 Ų4581.8 Ų81.846%0.46441%0.409SS..THydrogen-bonded Turntrans83.6-4.7-179.600000116.4L563 P587L563-G565 PolarHBondContact O-N 2.94Å; G565-P587 WeakPolarHBondContact O-CD 3.27Å
566L89.5Confident79.8Confident7 Ų784 Ų844%0.03742%0.419CS..  trans-74.2147.3176.8-82.1164.8000112.2L561 L562 L563 L584 Y586 V592 V621L561-L566 HydrophobicContact CD1-CD1 3.97Å; L561-L566 HydrophobicContact CD2-CD1 3.56Å; L561-L566 HydrophobicContact CG-CD1 3.61Å; L562-L566 WeakPolarHBondContact O-CD1 3.2Å; L563-L566 HydrophobicContact CD2-CD1 4.41Å; L563-L566 WeakPolarHBondContact O-CB 3.45Å; L563-L566 PolarHBondContact O-N 2.71Å; L566-L584 HydrophobicContact CD2-CB 4.2Å; L566-Y586 HydrophobicContact CD2-CD1 4.17Å; L566-Y586 HydrophobicContact CD2-CD2 4.35Å; L566-Y586 HydrophobicContact CD2-CE1 4.04Å; L566-Y586 HydrophobicContact CD2-CE2 4.25Å; L566-Y586 HydrophobicContact CD2-CG 4.31Å; L566-Y586 HydrophobicContact CG-CD1 4.18Å; L566-Y586 HydrophobicContact CG-CE1 3.7Å; L566-V592 HydrophobicContact CD2-CG1 4.1Å; L566-V592 HydrophobicContact CD2-CG2 4.05Å; L566-V621 HydrophobicContact CB-CG1 4.09Å; L566-V621 WeakPolarHBondContact O-CG1 3.49Å
567K89.4Confident78.4Confident73 Ų7382.6 Ų82.632%0.31743%0.427SS..EExtended strand (participates in β ladder)trans-125155.7168.6-63.5-162.5-179.4-173.20111.6L584 F585 P587 Y622 A624K567-L584 CarbonylContact O-C 3.57Å; K567-L584 WeakPolarHBondContact O-CA 3.5Å; K567-F585 HydrophobicContact CB-CE1 4Å; K567-F585 HydrophobicContact CB-CZ 4.17Å; K567-F585 PolarHBondContact N-O 2.77Å; K567-F585 WeakPolarHBondContact O-CD1 3.38Å; K567-F585 PolarHBondContact O-N 3.5Å; K567-P587 HydrophobicContact CD-CG 3.75Å; K567-P587 HydrophobicContact CG-CG 3.83Å; K567-Y622 CarbonylContact C-O 3.56Å; K567-Y622 WeakPolarHBondContact CA-O 3.4Å; K567-Y622 WeakPolarHBondContact CB-O 3.35Å; K567-A624 HydrophobicContact CB-CB 4.09Å; K567-A624 HydrophobicContact CD-CB 4.43Å
568I90.8Very high77Confident4 Ų485.5 Ų85.52%0.02144%0.439CS..EExtended strand (participates in β ladder)trans-101.9129.3175.2-67.2160.8000110.3F582 A583 L584 K613 F616 V621 Y622 P623 A624I568-F582 HydrophobicContact CG2-CB 4.2Å; I568-F582 HydrophobicContact CG2-CD2 3.94Å; I568-F582 HydrophobicContact CG2-CG 4.44Å; I568-A583 CarbonylContact C-O 3.43Å; I568-A583 VanDerWaalsContact CA-O 3.3Å; I568-A583 WeakPolarHBondContact CA-O 3.28Å; I568-L584 HydrophobicContact CD1-CD2 4.43Å; I568-L584 HydrophobicContact CG1-CD2 3.46Å; I568-L584 VanDerWaalsContact CG1-CD2 3.46Å; I568-K613 HydrophobicContact CG2-CG 4.28Å; I568-F616 HydrophobicContact CD1-CB 3.28Å; I568-F616 HydrophobicContact CD1-CD2 4.19Å; I568-F616 HydrophobicContact CD1-CG 3.84Å; I568-F616 HydrophobicContact CG1-CB 4.42Å; I568-V621 HydrophobicContact CD1-CB 4.45Å; I568-V621 HydrophobicContact CD1-CG1 4Å; I568-V621 HydrophobicContact CG1-CG1 3.75Å; I568-Y622 PolarHBondContact N-O 2.99Å; I568-P623 CarbonylContact O-C 3.46Å; I568-P623 VanDerWaalsContact O-C 3.3Å; I568-P623 WeakPolarHBondContact O-CA 3.49Å; I568-A624 PolarHBondContact O-N 2.9Å
569R88.9Confident76.3Confident91 Ų9185 Ų8534%0.34344%0.44SS..EExtended strand (participates in β ladder)trans-117.9157.1163.767.417884.1171.110.1111F582 A583 F585 A624R569-F582 WeakPolarHBondContact O-CA 3.39Å; R569-A583 HydrophobicContact CG-CB 3.85Å; R569-A583 PolarHBondContact N-O 2.98Å; R569-A583 PolarHBondContact O-N 3.34Å; R569-F585 HydrophobicContact CB-CD1 4.45Å; R569-F585 HydrophobicContact CB-CE1 3.85Å; R569-F585 HydrophobicContact CG-CD1 4.09Å; R569-F585 HydrophobicContact CG-CE1 3.94Å; R569-A624 HydrophobicContact CB-CB 4.09Å
570D86.4Confident76.1Confident103 Ų10384.3 Ų84.355%0.55144%0.44SS*.EExtended strand (participates in β ladder)trans-73.2140.3166.6-70.5-33.2000110.3K613D570-K613 WeakPolarHBondContact OD1-CE 3.46Å; D570-K613 IonicContact OD1-NZ 3.95Å; D570-K613 PolarHBondContact OD1-NZ 3.33Å; D570-K613 IonicContact OD2-NZ 3.43Å
571I83Confident75.9Confident44 Ų4482 Ų8223%0.22643%0.427CS..PPolyproline II helixtrans-94.6117.5171-61.7172.8000106.7T573 A581 A583 E600I571-T573 PolarHBondContact O-N 3.29Å; I571-A581 HydrophobicContact CB-CB 4.31Å; I571-A581 HydrophobicContact CD1-CB 3.91Å; I571-A583 HydrophobicContact CD1-CB 3.94Å; I571-A583 HydrophobicContact CG1-CB 3.85Å; I571-E600 HydrophobicContact CD1-CB 3.69Å; I571-E600 HydrophobicContact CD1-CG 3.53Å
572E66.3Low75.9Confident179 Ų17981.9 Ų81.984%0.83643%0.426SS*.PPolyproline II helixtrans-64.9126174.8-68.2179.1-17900109.7G574E572-G574 PolarHBondContact O-N 2.85Å; E572-G574 VanDerWaalsContact O-N 3.17Å
573T56.3Low76Confident84 Ų8476.6 Ų76.652%0.51540%0.398SS..  trans-74.1106.4-178.9320000109.3I571 K579I571-T573 PolarHBondContact O-N 3.29Å; T573-K579 WeakPolarHBondContact CG2-O 3.44Å
574G52.9Low76.4Confident53 Ų5376.2 Ų76.255%0.54640%0.396SS..  trans-62.7169.3170.200000112.6E572 F576E572-G574 PolarHBondContact O-N 2.85Å; E572-G574 VanDerWaalsContact O-N 3.17Å; G574-F576 PolarHBondContact O-N 3.2Å
575F49.9Very low76.8Confident217 Ų21772.6 Ų72.695%0.95238%0.376SS*.SBendtrans-55-9.2-171.5-80.6-89.5000117.2
576F48.9Very low77.1Confident197 Ų19772.4 Ų72.486%0.86436%0.362SS*.SBendtrans-107.587.3178.6-65.7-78.3000111.7G574G574-F576 PolarHBondContact O-N 3.2Å
577G54.4Low76.7Confident52 Ų5275.6 Ų75.654%0.53638%0.383SS..  trans78.9132.8168.800000115.2K579G577-K579 VanDerWaalsContact C-N 3.32Å; G577-K579 PolarHBondContact O-N 3.17Å
578K58Low76.4Confident184 Ų18476.6 Ų76.680%0.839%0.392SS*.  trans-66.388171.1-70.5-178.1-179.81790109.5
579K70.5Confident76Confident97 Ų9780.2 Ų80.242%0.42241%0.411SS..  trans-87.9126169.8-69-173.8-179.8-177.90109.3T573 G577 A581T573-K579 WeakPolarHBondContact CG2-O 3.44Å; G577-K579 VanDerWaalsContact C-N 3.32Å; G577-K579 PolarHBondContact O-N 3.17Å; K579-A581 PolarHBondContact O-N 3.01Å; K579-A581 VanDerWaalsContact O-N 3.15Å
580H86.1Confident75.8Confident66 Ų6681.4 Ų81.431%0.30642%0.42SS..EExtended strand (participates in β ladder)trans-8195.2177.6-54.7-67.3000109C602 A603 E604 S605 A606 V609H580-C602 VanDerWaalsContact O-CA 3.32Å; H580-C602 WeakPolarHBondContact O-CA 3.44Å; H580-A603 PolarHBondContact O-N 2.9Å; H580-E604 PolarHBondContact CD2-O 3.26Å; H580-S605 VanDerWaalsContact CD2-C 3.41Å; H580-S605 WeakPolarHBondContact CD2-CA 3.39Å; H580-A606 PolarHBondContact CD2-N 2.9Å; H580-A606 PolarHBondContact CE1-N 2.8Å; H580-A606 PolarHBondContact ND1-N 2.8Å; H580-V609 VanDerWaalsContact C-CG2 3.41Å; H580-V609 HydrophobicContact CB-CG2 3.52Å; H580-V609 WeakPolarHBondContact O-CG2 3.34Å
581A88.4Confident75.8Confident10 Ų1080.2 Ų80.28%0.08341%0.414CS..EExtended strand (participates in β ladder)trans-136154.8-172.300000113.5I571 K579 L601 C602I571-A581 HydrophobicContact CB-CB 4.31Å; I571-A581 HydrophobicContact CD1-CB 3.91Å; K579-A581 PolarHBondContact O-N 3.01Å; K579-A581 VanDerWaalsContact O-N 3.15Å; A581-L601 CarbonylContact C-O 3.54Å; A581-L601 WeakPolarHBondContact CA-O 3.46Å; A581-L601 WeakPolarHBondContact CB-O 3.44Å; A581-C602 HydrophobicContact CB-CB 4.09Å; A581-C602 VanDerWaalsContact CB-SG 3.52Å
582F91.6Very high76.1Confident0 Ų078.2 Ų78.20%040%0.404CS..EExtended strand (participates in β ladder)trans-144157.6173.564.1-81.6000109.3L522 I568 R569 L601 V609 W612 F616L522-F582 HydrophobicContact CD1-CZ 4.45Å; I568-F582 HydrophobicContact CG2-CB 4.2Å; I568-F582 HydrophobicContact CG2-CD2 3.94Å; I568-F582 HydrophobicContact CG2-CG 4.44Å; R569-F582 WeakPolarHBondContact O-CA 3.39Å; F582-L601 HydrophobicContact CD1-CB 4.48Å; F582-L601 HydrophobicContact CE1-CB 3.99Å; F582-L601 HydrophobicContact CE2-CB 4.13Å; F582-L601 HydrophobicContact CE2-CD1 3.71Å; F582-L601 HydrophobicContact CE2-CG 4.5Å; F582-L601 HydrophobicContact CZ-CB 3.79Å; F582-L601 HydrophobicContact CZ-CD1 3.76Å; F582-L601 HydrophobicContact CZ-CG 4.42Å; F582-L601 PolarHBondContact N-O 3.09Å; F582-L601 PolarHBondContact O-N 3.35Å; F582-V609 HydrophobicContact CD1-CG1 3.9Å; F582-V609 HydrophobicContact CD1-CG2 4.33Å; F582-W612 HydrophobicContact CE1-CB 4.09Å; F582-W612 HydrophobicContact CZ-CB 4.06Å; F582-F616 AromaticContact CE2-CD2 3.91Å; F582-F616 HydrophobicContact CE2-CD2 3.91Å; F582-F616 AromaticContact CE2-CE2 3.58Å; F582-F616 HydrophobicContact CE2-CE2 3.58Å; F582-F616 HydrophobicContact CE2-CZ 4.4Å; F582-F616 HydrophobicContact CZ-CD2 4.19Å; F582-F616 AromaticContact CZ-CE2 3.68Å; F582-F616 HydrophobicContact CZ-CE2 3.68Å
583A92.4Very high76.9Confident0 Ų071.2 Ų71.20%037%0.37CS..EExtended strand (participates in β ladder)trans-119137.2-178.200000111.9I568 R569 I571 Q598 L599 E600I568-A583 CarbonylContact C-O 3.43Å; I568-A583 VanDerWaalsContact CA-O 3.3Å; I568-A583 WeakPolarHBondContact CA-O 3.28Å; R569-A583 HydrophobicContact CG-CB 3.85Å; R569-A583 PolarHBondContact N-O 2.98Å; R569-A583 PolarHBondContact O-N 3.34Å; I571-A583 HydrophobicContact CD1-CB 3.94Å; I571-A583 HydrophobicContact CG1-CB 3.85Å; A583-Q598 HydrophobicContact CB-CB 4.42Å; A583-L599 CarbonylContact C-O 3.48Å; A583-L599 VanDerWaalsContact CA-O 3.3Å; A583-L599 WeakPolarHBondContact CA-O 3.34Å; A583-E600 HydrophobicContact CB-CG 4.21Å
584L93.6Very high78.2Confident0 Ų073.1 Ų73.10%037%0.371CS..EExtended strand (participates in β ladder)trans-95.6131.6168.2-64.6172.6000109.5L546 L561 L566 K567 I568 Q598 L599 L601 F616 V621L546-L584 HydrophobicContact CD2-CD1 3.59Å; L561-L584 HydrophobicContact CD2-CD1 4.3Å; L566-L584 HydrophobicContact CD2-CB 4.2Å; K567-L584 CarbonylContact O-C 3.57Å; K567-L584 WeakPolarHBondContact O-CA 3.5Å; I568-L584 HydrophobicContact CD1-CD2 4.43Å; I568-L584 HydrophobicContact CG1-CD2 3.46Å; I568-L584 VanDerWaalsContact CG1-CD2 3.46Å; L584-Q598 CarbonylContact O-C 3.55Å; L584-Q598 WeakPolarHBondContact O-CA 3.33Å; L584-L599 HydrophobicContact CB-CB 4.27Å; L584-L599 HydrophobicContact CD1-CD2 4.41Å; L584-L599 PolarHBondContact N-O 3.34Å; L584-L599 PolarHBondContact O-N 3.25Å; L584-L601 HydrophobicContact CD1-CD1 3.74Å; L584-L601 HydrophobicContact CG-CD1 4.25Å; L584-F616 HydrophobicContact CD1-CE1 3.8Å; L584-F616 HydrophobicContact CD1-CZ 3.8Å; L584-F616 HydrophobicContact CD2-CD1 4.26Å; L584-F616 HydrophobicContact CD2-CE1 4.15Å; L584-F616 HydrophobicContact CD2-CZ 4.46Å; L584-V621 HydrophobicContact CD2-CG1 3.95Å
585F92.2Very high79.7Confident19 Ų1977.1 Ų77.18%0.08338%0.38CS..EExtended strand (participates in β ladder)trans-154.1156-178.975.2-78.3000112.9K567 R569 Q598 A624K567-F585 HydrophobicContact CB-CE1 4Å; K567-F585 HydrophobicContact CB-CZ 4.17Å; K567-F585 PolarHBondContact N-O 2.77Å; K567-F585 WeakPolarHBondContact O-CD1 3.38Å; K567-F585 PolarHBondContact O-N 3.5Å; R569-F585 HydrophobicContact CB-CD1 4.45Å; R569-F585 HydrophobicContact CB-CE1 3.85Å; R569-F585 HydrophobicContact CG-CD1 4.09Å; R569-F585 HydrophobicContact CG-CE1 3.94Å; F585-Q598 HydrophobicContact CB-CB 3.76Å; F585-A624 HydrophobicContact CE1-CB 3.32Å; F585-A624 HydrophobicContact CZ-CB 3.23Å
586Y90.2Very high81.5Confident40 Ų4069.8 Ų69.816%0.15735%0.346CS..  trans-86.9131.6171.1-67.6-68.5000110.7L562 D564 L566 D588 N589 H590 V592L562-Y586 PolarHBondContact O-OH 3.33Å; D564-Y586 WeakPolarHBondContact O-CE1 3.16Å; L566-Y586 HydrophobicContact CD2-CD1 4.17Å; L566-Y586 HydrophobicContact CD2-CD2 4.35Å; L566-Y586 HydrophobicContact CD2-CE1 4.04Å; L566-Y586 HydrophobicContact CD2-CE2 4.25Å; L566-Y586 HydrophobicContact CD2-CG 4.31Å; L566-Y586 HydrophobicContact CG-CD1 4.18Å; L566-Y586 HydrophobicContact CG-CE1 3.7Å; Y586-D588 WeakPolarHBondContact CB-OD1 3.34Å; Y586-D588 PolarHBondContact O-N 3.13Å; Y586-N589 WeakPolarHBondContact O-CA 3.31Å; Y586-N589 PolarHBondContact O-N 2.95Å; Y586-H590 HydrophobicContact CD2-CB 4.09Å; Y586-H590 HydrophobicContact CG-CB 4.36Å; Y586-V592 HydrophobicContact CD2-CG2 3.81Å; Y586-V592 HydrophobicContact CE2-CB 4.48Å; Y586-V592 HydrophobicContact CE2-CG2 4.19Å
587P81.1Confident83.3Confident74 Ų7465.5 Ų65.548%0.48133%0.328SS..THydrogen-bonded Turntrans-59.4-31-179.6-25.734.3000114.9G565 K567 N589G565-P587 WeakPolarHBondContact O-CD 3.27Å; K567-P587 HydrophobicContact CD-CG 3.75Å; K567-P587 HydrophobicContact CG-CG 3.83Å; P587-N589 PolarHBondContact O-N 2.89Å
588D82.1Confident85.1Confident94 Ų9465.3 Ų65.350%0.50331%0.312SS..THydrogen-bonded Turntrans-74.81174.659.511.8000113.3Y586 H590Y586-D588 WeakPolarHBondContact CB-OD1 3.34Å; Y586-D588 PolarHBondContact O-N 3.13Å; D588-H590 VanDerWaalsContact CG-CG 3.48Å; D588-H590 VanDerWaalsContact CG-ND1 3.28Å; D588-H590 PolarHBondContact O-N 2.86Å; D588-H590 VanDerWaalsContact OD1-CB 3.29Å; D588-H590 WeakPolarHBondContact OD1-CB 2.95Å; D588-H590 IonicContact OD1-CD2 3.23Å; D588-H590 IonicContact OD1-CG 3.52Å; D588-H590 VanDerWaalsContact OD1-CG 3.25Å; D588-H590 PolarHBondContact OD1-N 2.8Å; D588-H590 IonicContact OD1-ND1 2.84Å; D588-H590 PolarHBondContact OD1-ND1 3.48Å; D588-H590 IonicContact OD2-CE1 3.87Å; D588-H590 PolarHBondContact OD2-CE1 2.94Å; D588-H590 IonicContact OD2-CG 3.89Å; D588-H590 IonicContact OD2-ND1 3.25Å; D588-H590 PolarHBondContact OD2-ND1 3.23Å; D588-H590 IonicContact OD2-NE2 2.68Å
589N82.2Confident86.6Confident80 Ų8056.5 Ų56.543%0.42827%0.274SS..  trans67.121.2178.5-134.319.4000113.5Y586 P587 K597Y586-N589 WeakPolarHBondContact O-CA 3.31Å; Y586-N589 PolarHBondContact O-N 2.95Å; P587-N589 PolarHBondContact O-N 2.89Å; N589-K597 PolarHBondContact ND2-NZ 3.03Å
590H84.4Confident87.6Confident117 Ų11753.5 Ų53.554%0.54226%0.262SS..  trans-62.8153.7167.6-72.2164.3000111.8Y586 D588 V592Y586-H590 HydrophobicContact CD2-CB 4.09Å; Y586-H590 HydrophobicContact CG-CB 4.36Å; D588-H590 VanDerWaalsContact CG-CG 3.48Å; D588-H590 VanDerWaalsContact CG-ND1 3.28Å; D588-H590 PolarHBondContact O-N 2.86Å; D588-H590 VanDerWaalsContact OD1-CB 3.29Å; D588-H590 WeakPolarHBondContact OD1-CB 2.95Å; D588-H590 IonicContact OD1-CD2 3.23Å; D588-H590 IonicContact OD1-CG 3.52Å; D588-H590 VanDerWaalsContact OD1-CG 3.25Å; D588-H590 PolarHBondContact OD1-N 2.8Å; D588-H590 IonicContact OD1-ND1 2.84Å; D588-H590 PolarHBondContact OD1-ND1 3.48Å; D588-H590 IonicContact OD2-CE1 3.87Å; D588-H590 PolarHBondContact OD2-CE1 2.94Å; D588-H590 IonicContact OD2-CG 3.89Å; D588-H590 IonicContact OD2-ND1 3.25Å; D588-H590 PolarHBondContact OD2-ND1 3.23Å; D588-H590 IonicContact OD2-NE2 2.68Å; H590-V592 PolarHBondContact O-N 3.24Å
591N88.3Confident87.9Confident78 Ų7850.3 Ų50.342%0.41725%0.247SC..  trans-70.8127178.4-60.4-20000110.3K594 Y596N591-K594 WeakPolarHBondContact CB-O 3.48Å; N591-K594 PolarHBondContact ND2-O 2.99Å; N591-K594 VanDerWaalsContact ND2-O 3.13Å; N591-Y596 CarbonylContact C-O 3.57Å; N591-Y596 WeakPolarHBondContact CA-O 3.41Å
592V87.8Confident88Confident2 Ų250.3 Ų50.31%0.01225%0.246CC..SBendtrans-78.5-38.9176.5-178.80000110.7Y559 L561 L566 Y586 H590 Y596 K597 L599Y559-V592 PolarHBondContact OH-O 2.63Å; L561-V592 HydrophobicContact CD1-CG1 3.63Å; L561-V592 WeakPolarHBondContact CD1-O 3.15Å; L561-V592 HydrophobicContact CD2-CG1 3.56Å; L561-V592 HydrophobicContact CG-CG1 4.25Å; L566-V592 HydrophobicContact CD2-CG1 4.1Å; L566-V592 HydrophobicContact CD2-CG2 4.05Å; Y586-V592 HydrophobicContact CD2-CG2 3.81Å; Y586-V592 HydrophobicContact CE2-CB 4.48Å; Y586-V592 HydrophobicContact CE2-CG2 4.19Å; H590-V592 PolarHBondContact O-N 3.24Å; V592-Y596 PolarHBondContact N-O 2.9Å; V592-K597 WeakPolarHBondContact CG2-O 3.44Å; V592-L599 HydrophobicContact CG1-CB 3.88Å
593Y84Confident87.9Confident31 Ų3151 Ų5112%0.12225%0.252CS..BIsolated β-bridgetrans-147.9118.8-178.6175.9-92.9000109.6V527 W548 Y559 D595 Y596V527-Y593 HydrophobicContact CB-CD1 4.25Å; V527-Y593 HydrophobicContact CB-CE1 4.19Å; V527-Y593 HydrophobicContact CG1-CD1 3.62Å; V527-Y593 HydrophobicContact CG1-CE1 3.12Å; V527-Y593 HydrophobicContact CG2-CD1 3.56Å; V527-Y593 HydrophobicContact CG2-CE1 4.01Å; V527-Y593 HydrophobicContact CG2-CG 4.34Å; W548-Y593 HydrophobicContact CH2-CD2 4.01Å; W548-Y593 AromaticContact CZ2-CD2 3.79Å; W548-Y593 HydrophobicContact CZ2-CD2 3.79Å; W548-Y593 AromaticContact CZ2-CE2 3.87Å; W548-Y593 HydrophobicContact CZ2-CE2 3.87Å; Y559-Y593 AromaticContact CD1-CD2 3.76Å; Y559-Y593 HydrophobicContact CD1-CD2 3.76Å; Y559-Y593 HydrophobicContact CD1-CE2 4.22Å; Y559-Y593 AromaticContact CD2-CD2 3.62Å; Y559-Y593 HydrophobicContact CD2-CD2 3.62Å; Y559-Y593 AromaticContact CD2-CE2 3.43Å; Y559-Y593 HydrophobicContact CD2-CE2 3.43Å; Y559-Y593 VanDerWaalsContact CD2-CE2 3.43Å; Y559-Y593 AromaticContact CE1-CD2 3.72Å; Y559-Y593 HydrophobicContact CE1-CD2 3.72Å; Y559-Y593 HydrophobicContact CE1-CE2 4.49Å; Y559-Y593 AromaticContact CE2-CD2 3.57Å; Y559-Y593 HydrophobicContact CE2-CD2 3.57Å; Y559-Y593 AromaticContact CE2-CE2 3.75Å; Y559-Y593 HydrophobicContact CE2-CE2 3.75Å; Y559-Y593 AromaticContact CG-CD2 3.69Å; Y559-Y593 HydrophobicContact CG-CD2 3.69Å; Y559-Y593 AromaticContact CG-CE2 3.66Å; Y559-Y593 HydrophobicContact CG-CE2 3.66Å; Y559-Y593 AromaticContact CZ-CD2 3.6Å; Y593-D595 PolarHBondContact O-N 2.84Å; Y593-D595 VanDerWaalsContact O-N 3.14Å; Y593-Y596 HydrophobicContact CD1-CD2 4.05Å; Y593-Y596 PolarHBondContact N-O 3.41Å; Y593-Y596 WeakPolarHBondContact O-CB 3.46Å; Y593-Y596 WeakPolarHBondContact O-CD2 3.39Å; Y593-Y596 PolarHBondContact O-N 3.33Å
594K84.2Confident87.5Confident124 Ų12459.1 Ų59.154%0.53929%0.29SS..THydrogen-bonded Turntrans51.4-115.5-175.7-60.5-175.5178.4-177.70111.7N591N591-K594 WeakPolarHBondContact CB-O 3.48Å; N591-K594 PolarHBondContact ND2-O 2.99Å; N591-K594 VanDerWaalsContact ND2-O 3.13Å
595D83.1Confident87Confident137 Ų13760.8 Ų60.873%0.73330%0.302SS*.THydrogen-bonded Turntrans-97.73.5180-52.8-39.1000112.6Y593Y593-D595 PolarHBondContact O-N 2.84Å; Y593-D595 VanDerWaalsContact O-N 3.14Å
596Y87.4Confident86.5Confident63 Ų6362.4 Ų62.425%0.24732%0.318CS..BIsolated β-bridgetrans-90.8122-175.5-61.6-80.6000111.5N526 V527 L529 N591 V592 Y593 Q598N526-Y596 WeakPolarHBondContact O-CD1 3.45Å; N526-Y596 WeakPolarHBondContact O-CE1 3.31Å; N526-Y596 PolarHBondContact O-OH 2.67Å; V527-Y596 HydrophobicContact CG2-CD2 4.08Å; V527-Y596 HydrophobicContact CG2-CE2 4.37Å; V527-Y596 HydrophobicContact CG2-CG 4.45Å; L529-Y596 HydrophobicContact CD1-CE2 4.11Å; N591-Y596 CarbonylContact C-O 3.57Å; N591-Y596 WeakPolarHBondContact CA-O 3.41Å; V592-Y596 PolarHBondContact N-O 2.9Å; Y593-Y596 HydrophobicContact CD1-CD2 4.05Å; Y593-Y596 PolarHBondContact N-O 3.41Å; Y593-Y596 WeakPolarHBondContact O-CB 3.46Å; Y593-Y596 WeakPolarHBondContact O-CD2 3.39Å; Y593-Y596 PolarHBondContact O-N 3.33Å; Y596-Q598 PolarHBondContact O-N 2.99Å
597K88.2Confident85.8Confident108 Ų10865 Ų6547%0.4733%0.332SS..SBendtrans-70.6-15.2178.1-64.3-175.7169.5-169.60114.7N589 V592N589-K597 PolarHBondContact ND2-NZ 3.03Å; V592-K597 WeakPolarHBondContact CG2-O 3.44Å
598Q90.7Very high85.9Confident47 Ų4764.1 Ų64.122%0.2232%0.323CS..EExtended strand (participates in β ladder)trans-145.7156.8176.468.1-172.711.800110.2N526 A583 L584 F585 Y596 E600N526-Q598 PolarHBondContact ND2-O 2.74Å; A583-Q598 HydrophobicContact CB-CB 4.42Å; L584-Q598 CarbonylContact O-C 3.55Å; L584-Q598 WeakPolarHBondContact O-CA 3.33Å; F585-Q598 HydrophobicContact CB-CB 3.76Å; Y596-Q598 PolarHBondContact O-N 2.99Å; Q598-E600 HydrophobicContact CG-CG 4.22Å; Q598-E600 PolarHBondContact NE2-OE1 3.5Å
599L91.3Very high86.1Confident0 Ų060 Ų600%030%0.301CS..EExtended strand (participates in β ladder)trans-112.3112.4173-168.376.6000108.3L524 V527 L546 W548 L561 A583 L584 V592 L601L524-L599 HydrophobicContact CD2-CD1 3.42Å; L524-L599 VanDerWaalsContact CD2-CD1 3.42Å; L524-L599 HydrophobicContact CD2-CD2 4.06Å; L524-L599 HydrophobicContact CD2-CG 3.65Å; V527-L599 HydrophobicContact CG2-CD1 3.79Å; L546-L599 HydrophobicContact CD2-CD2 4.38Å; W548-L599 HydrophobicContact CH2-CD1 4.14Å; W548-L599 HydrophobicContact CH2-CD2 3.87Å; W548-L599 HydrophobicContact CZ3-CD2 3.82Å; L561-L599 HydrophobicContact CD2-CD2 4.02Å; A583-L599 CarbonylContact C-O 3.48Å; A583-L599 VanDerWaalsContact CA-O 3.3Å; A583-L599 WeakPolarHBondContact CA-O 3.34Å; L584-L599 HydrophobicContact CB-CB 4.27Å; L584-L599 HydrophobicContact CD1-CD2 4.41Å; L584-L599 PolarHBondContact N-O 3.34Å; L584-L599 PolarHBondContact O-N 3.25Å; V592-L599 HydrophobicContact CG1-CB 3.88Å; L599-L601 HydrophobicContact CD2-CD2 4.33Å
600E91.5Very high86.1Confident33 Ų3358.8 Ų58.815%0.15429%0.294CS..EExtended strand (participates in β ladder)trans-92.9120.8-178.5-65.1177.3-163.600110.5Q525 N526 I571 A583 Q598Q525-E600 HydrophobicContact CB-CB 3.95Å; Q525-E600 PolarHBondContact N-O 3.44Å; Q525-E600 VanDerWaalsContact N-O 3.1Å; N526-E600 HydrophobicContact CB-CB 4.46Å; N526-E600 HydrophobicContact CB-CG 4.31Å; N526-E600 PolarHBondContact OD1-N 2.73Å; I571-E600 HydrophobicContact CD1-CB 3.69Å; I571-E600 HydrophobicContact CD1-CG 3.53Å; A583-E600 HydrophobicContact CB-CG 4.21Å; Q598-E600 HydrophobicContact CG-CG 4.22Å; Q598-E600 PolarHBondContact NE2-OE1 3.5Å
601L92.5Very high85.9Confident0 Ų053.5 Ų53.50%027%0.271CS..EExtended strand (participates in β ladder)trans-116128-176.3-64.2170.7000109.9L522 S523 L524 F539 L546 A581 F582 L584 L599 F616L522-L601 HydrophobicContact CB-CD2 4.28Å; L522-L601 HydrophobicContact CD1-CB 4.31Å; L522-L601 HydrophobicContact CD1-CD1 4.09Å; L522-L601 HydrophobicContact CD1-CD2 4.25Å; L522-L601 HydrophobicContact CD1-CG 4.45Å; S523-L601 WeakPolarHBondContact O-CA 3.31Å; L524-L601 HydrophobicContact CD2-CD2 3.68Å; L524-L601 HydrophobicContact CG-CD2 4.47Å; F539-L601 HydrophobicContact CE1-CD2 3.72Å; F539-L601 HydrophobicContact CE2-CD2 4.03Å; F539-L601 HydrophobicContact CZ-CD2 3.4Å; L546-L601 HydrophobicContact CD2-CD1 4.16Å; A581-L601 CarbonylContact C-O 3.54Å; A581-L601 WeakPolarHBondContact CA-O 3.46Å; A581-L601 WeakPolarHBondContact CB-O 3.44Å; F582-L601 HydrophobicContact CD1-CB 4.48Å; F582-L601 HydrophobicContact CE1-CB 3.99Å; F582-L601 HydrophobicContact CE2-CB 4.13Å; F582-L601 HydrophobicContact CE2-CD1 3.71Å; F582-L601 HydrophobicContact CE2-CG 4.5Å; F582-L601 HydrophobicContact CZ-CB 3.79Å; F582-L601 HydrophobicContact CZ-CD1 3.76Å; F582-L601 HydrophobicContact CZ-CG 4.42Å; F582-L601 PolarHBondContact N-O 3.09Å; F582-L601 PolarHBondContact O-N 3.35Å; L584-L601 HydrophobicContact CD1-CD1 3.74Å; L584-L601 HydrophobicContact CG-CD1 4.25Å; L599-L601 HydrophobicContact CD2-CD2 4.33Å; L601-F616 HydrophobicContact CD1-CE2 4.44Å; L601-F616 HydrophobicContact CD1-CZ 4.25Å
602C90.2Very high85.9Confident9 Ų950 Ų506%0.06125%0.252CS..EExtended strand (participates in β ladder)trans-114.7144.3173.6-38.90000112.2L522 S523 Q525 H580 A581L522-C602 WeakPolarHBondContact CD2-O 3.32Å; S523-C602 PolarHBondContact N-O 3.27Å; S523-C602 PolarHBondContact O-N 3.45Å; S523-C602 VanDerWaalsContact O-N 3.08Å; S523-C602 WeakPolarHBondContact OG-CB 3.45Å; S523-C602 PolarHBondContact OG-O 3.24Å; Q525-C602 PolarHBondContact OE1-SG 3.45Å; Q525-C602 VanDerWaalsContact OE1-SG 3.4Å; H580-C602 VanDerWaalsContact O-CA 3.32Å; H580-C602 WeakPolarHBondContact O-CA 3.44Å; A581-C602 HydrophobicContact CB-CB 4.09Å; A581-C602 VanDerWaalsContact CB-SG 3.52Å
603A89.2Confident85.8Confident16 Ų1650.7 Ų50.713%0.13226%0.255CS..EExtended strand (participates in β ladder)trans-120.1167.717300000111.2L522 H580 S605 L608 V609L522-A603 HydrophobicContact CD2-CB 3.84Å; H580-A603 PolarHBondContact O-N 2.9Å; A603-S605 VanDerWaalsContact C-N 3.33Å; A603-S605 PolarHBondContact O-N 3.48Å; A603-L608 HydrophobicContact CB-CB 3.8Å; A603-V609 HydrophobicContact CB-CG2 3.87Å
604E84.2Confident85.4Confident170 Ų17050.1 Ų50.179%0.79426%0.256SS*.SBendtrans-70.3-26.7-175.6-59.1176.5170.900113.6H580 L608H580-E604 PolarHBondContact CD2-O 3.26Å; E604-L608 HydrophobicContact CB-CD1 4Å
605S82.4Confident85.3Confident35 Ų3544.3 Ų44.325%0.24523%0.231CC..SBendtrans-140.6157.3-177.477.30000112.6H580 A603 E607 L608 V609H580-S605 VanDerWaalsContact CD2-C 3.41Å; H580-S605 WeakPolarHBondContact CD2-CA 3.39Å; A603-S605 VanDerWaalsContact C-N 3.33Å; A603-S605 PolarHBondContact O-N 3.48Å; S605-E607 PolarHBondContact O-N 2.86Å; S605-E607 PolarHBondContact OG-N 3.06Å; S605-L608 PolarHBondContact O-N 3.46Å; S605-L608 WeakPolarHBondContact OG-CG 3.44Å; S605-L608 PolarHBondContact OG-N 3.07Å; S605-V609 PolarHBondContact O-N 3.12Å
606A81.3Confident85.4Confident52 Ų5237.8 Ų37.843%0.4320%0.196SC..Hα-helixtrans-58.6-36.1172.500000111.5H580 V609 D610H580-A606 PolarHBondContact CD2-N 2.9Å; H580-A606 PolarHBondContact CE1-N 2.8Å; H580-A606 PolarHBondContact ND1-N 2.8Å; A606-V609 WeakPolarHBondContact O-CB 3.27Å; A606-V609 PolarHBondContact O-N 3.36Å; A606-D610 PolarHBondContact O-N 3.49Å
607E76.3Confident85Confident96 Ų9635.8 Ų35.845%0.44919%0.19SC..Hα-helixtrans-64-40.6177.6-142.6-164161.100112R365 S605 D610 S611R365-E607 IonicContact CZ-OE1 3.79Å; R365-E607 IonicContact NE-OE1 2.67Å; R365-E607 IonicContact NH1-OE1 3.67Å; R365-E607 PolarHBondContact NH1-OE1 3.43Å; R365-E607 IonicContact NH1-OE2 3.65Å; R365-E607 PolarHBondContact NH2-O 3.07Å; R365-E607 IonicContact NH2-OE1 3.16Å; R365-E607 PolarHBondContact NH2-OE1 3.32Å; S605-E607 PolarHBondContact O-N 2.86Å; S605-E607 PolarHBondContact OG-N 3.06Å; E607-D610 PolarHBondContact O-N 3.48Å; E607-S611 WeakPolarHBondContact O-CB 3.4Å; E607-S611 PolarHBondContact O-N 3.13Å; E607-S611 PolarHBondContact O-OG 2.72Å
608L83.2Confident84.1Confident55 Ų5538.5 Ų38.529%0.28820%0.197SC..Hα-helixtrans-67.8-41.4175.1-77.3171.6000111.2A603 E604 S605 S611 W612A603-L608 HydrophobicContact CB-CB 3.8Å; E604-L608 HydrophobicContact CB-CD1 4Å; S605-L608 PolarHBondContact O-N 3.46Å; S605-L608 WeakPolarHBondContact OG-CG 3.44Å; S605-L608 PolarHBondContact OG-N 3.07Å; L608-S611 WeakPolarHBondContact CA-OG 3.13Å; L608-S611 PolarHBondContact O-N 2.88Å; L608-S611 PolarHBondContact O-OG 2.99Å; L608-W612 WeakPolarHBondContact O-CB 3.25Å; L608-W612 VanDerWaalsContact O-CD1 3.26Å; L608-W612 PolarHBondContact O-N 3.42Å
609V86.3Confident83.5Confident7 Ų736.7 Ų36.74%0.04219%0.19CC..Hα-helixtrans-57-51.1173167.10000111.3H580 F582 A603 S605 A606 S611 W612 K613H580-V609 VanDerWaalsContact C-CG2 3.41Å; H580-V609 HydrophobicContact CB-CG2 3.52Å; H580-V609 WeakPolarHBondContact O-CG2 3.34Å; F582-V609 HydrophobicContact CD1-CG1 3.9Å; F582-V609 HydrophobicContact CD1-CG2 4.33Å; A603-V609 HydrophobicContact CB-CG2 3.87Å; S605-V609 PolarHBondContact O-N 3.12Å; A606-V609 WeakPolarHBondContact O-CB 3.27Å; A606-V609 PolarHBondContact O-N 3.36Å; V609-S611 VanDerWaalsContact C-N 3.31Å; V609-S611 PolarHBondContact O-N 3.45Å; V609-W612 PolarHBondContact O-N 2.91Å; V609-K613 HydrophobicContact CG1-CD 4.09Å; V609-K613 VanDerWaalsContact CG1-CE 3.41Å; V609-K613 HydrophobicContact CG1-CG 4.46Å; V609-K613 WeakPolarHBondContact O-CG 3.49Å; V609-K613 PolarHBondContact O-N 3.37Å
610D81.5Confident82.6Confident54 Ų5438.5 Ų38.529%0.28921%0.209SC..Hα-helixtrans-61.2-41.5-179.8-85.98.5000111.6R370 A606 E607 W612 K613 A614R370-D610 IonicContact CZ-OD2 3.98Å; R370-D610 IonicContact NH1-OD2 3.49Å; R370-D610 PolarHBondContact NH1-OD2 3.44Å; A606-D610 PolarHBondContact O-N 3.49Å; E607-D610 PolarHBondContact O-N 3.48Å; D610-W612 PolarHBondContact O-N 2.93Å; D610-K613 PolarHBondContact O-N 3.37Å; D610-K613 IonicContact OD1-NZ 3.82Å; D610-A614 PolarHBondContact O-N 3.29Å
611S80.2Confident82Confident7 Ų737 Ų375%0.04920%0.202CC..Hα-helixtrans-67.3-34.5176.773.70000113R518 E607 L608 V609 S615R518-S611 VanDerWaalsContact CZ-OG 3.28Å; R518-S611 PolarHBondContact NH1-O 3.1Å; R518-S611 PolarHBondContact NH1-OG 2.87Å; R518-S611 PolarHBondContact NH2-OG 3.09Å; E607-S611 WeakPolarHBondContact O-CB 3.4Å; E607-S611 PolarHBondContact O-N 3.13Å; E607-S611 PolarHBondContact O-OG 2.72Å; L608-S611 WeakPolarHBondContact CA-OG 3.13Å; L608-S611 PolarHBondContact O-N 2.88Å; L608-S611 PolarHBondContact O-OG 2.99Å; V609-S611 VanDerWaalsContact C-N 3.31Å; V609-S611 PolarHBondContact O-N 3.45Å; S611-S615 PolarHBondContact O-N 3.14Å; S611-S615 PolarHBondContact O-OG 3.04Å
612W88.5Confident81.3Confident5 Ų543.1 Ų43.12%0.01923%0.226CC..Hα-helixtrans-67.4-44.6173.5-90.7108.3000110.8R518 L522 F539 L541 F582 L608 V609 D610 A614 S615 F616R518-W612 HydrophobicContact CB-CZ3 4.24Å; R518-W612 HydrophobicContact CG-CE3 4.24Å; R518-W612 HydrophobicContact CG-CH2 3.93Å; R518-W612 HydrophobicContact CG-CZ2 4.22Å; R518-W612 HydrophobicContact CG-CZ3 3.94Å; L522-W612 HydrophobicContact CD1-CD2 3.88Å; L522-W612 HydrophobicContact CD1-CE3 4.12Å; L522-W612 HydrophobicContact CD1-CG 4.42Å; L522-W612 HydrophobicContact CD1-CH2 4.12Å; L522-W612 HydrophobicContact CD1-CZ2 3.86Å; L522-W612 HydrophobicContact CD1-CZ3 4.24Å; L522-W612 HydrophobicContact CD2-CD2 4.41Å; L522-W612 HydrophobicContact CD2-CG 4.28Å; L522-W612 HydrophobicContact CG-CD2 4.4Å; L522-W612 HydrophobicContact CG-CZ2 3.95Å; F539-W612 HydrophobicContact CB-CH2 3.83Å; F539-W612 HydrophobicContact CB-CZ2 4.48Å; L541-W612 HydrophobicContact CB-CZ3 4.21Å; F582-W612 HydrophobicContact CE1-CB 4.09Å; F582-W612 HydrophobicContact CZ-CB 4.06Å; L608-W612 WeakPolarHBondContact O-CB 3.25Å; L608-W612 VanDerWaalsContact O-CD1 3.26Å; L608-W612 PolarHBondContact O-N 3.42Å; V609-W612 PolarHBondContact O-N 2.91Å; D610-W612 PolarHBondContact O-N 2.93Å; W612-A614 VanDerWaalsContact C-N 3.33Å; W612-A614 PolarHBondContact O-N 2.95Å; W612-S615 CarbonylContact O-C 3.49Å; W612-S615 WeakPolarHBondContact O-CA 3.13Å; W612-S615 WeakPolarHBondContact O-CB 3.37Å; W612-S615 PolarHBondContact O-N 3.34Å; W612-F616 HydrophobicContact CE3-CD2 4.45Å; W612-F616 AromaticContact CE3-CE2 3.89Å; W612-F616 HydrophobicContact CE3-CE2 3.89Å; W612-F616 WeakPolarHBondContact O-CD2 3.35Å; W612-F616 PolarHBondContact O-N 3.39Å
613K85.6Confident80.8Confident16 Ų1644.4 Ų44.47%0.0723%0.234CC..Hα-helixtrans-56.9-44.8173-68.7171.5-179.5168.50112Y373 I568 D570 V609 D610 S615 F616 L617Y373-K613 HydrophobicContact CE2-CB 4.38Å; I568-K613 HydrophobicContact CG2-CG 4.28Å; D570-K613 WeakPolarHBondContact OD1-CE 3.46Å; D570-K613 IonicContact OD1-NZ 3.95Å; D570-K613 PolarHBondContact OD1-NZ 3.33Å; D570-K613 IonicContact OD2-NZ 3.43Å; V609-K613 HydrophobicContact CG1-CD 4.09Å; V609-K613 VanDerWaalsContact CG1-CE 3.41Å; V609-K613 HydrophobicContact CG1-CG 4.46Å; V609-K613 WeakPolarHBondContact O-CG 3.49Å; V609-K613 PolarHBondContact O-N 3.37Å; D610-K613 PolarHBondContact O-N 3.37Å; D610-K613 IonicContact OD1-NZ 3.82Å; K613-S615 PolarHBondContact O-N 2.81Å; K613-F616 PolarHBondContact O-N 2.67Å; K613-L617 WeakPolarHBondContact O-CG 3.15Å; K613-L617 PolarHBondContact O-N 3.19Å
614A76Confident80Confident18 Ų1844.7 Ų44.715%0.14924%0.236CC..Hα-helixtrans-60.5-3517400000112.1Y373 D610 W612 L617 R618Y373-A614 HydrophobicContact CD2-CB 4.28Å; D610-A614 PolarHBondContact O-N 3.29Å; W612-A614 VanDerWaalsContact C-N 3.33Å; W612-A614 PolarHBondContact O-N 2.95Å; A614-L617 WeakPolarHBondContact O-CB 3.46Å; A614-L617 PolarHBondContact O-N 2.61Å; A614-R618 WeakPolarHBondContact O-CG 3.39Å; A614-R618 PolarHBondContact O-N 3.49Å; A614-R618 VanDerWaalsContact O-N 3.1Å
615S82.6Confident78.9Confident2 Ų241.2 Ų41.21%0.01422%0.219CC..Hα-helixtrans-71.7-40.5176.4-57.80000112.5I517 R518 L541 S611 W612 K613 L617 R618 A619I517-S615 WeakPolarHBondContact CG2-O 3.45Å; R518-S615 WeakPolarHBondContact CD-OG 3.48Å; L541-S615 VanDerWaalsContact CD2-C 3.49Å; L541-S615 WeakPolarHBondContact CD2-O 3.46Å; S611-S615 PolarHBondContact O-N 3.14Å; S611-S615 PolarHBondContact O-OG 3.04Å; W612-S615 CarbonylContact O-C 3.49Å; W612-S615 WeakPolarHBondContact O-CA 3.13Å; W612-S615 WeakPolarHBondContact O-CB 3.37Å; W612-S615 PolarHBondContact O-N 3.34Å; K613-S615 PolarHBondContact O-N 2.81Å; S615-L617 VanDerWaalsContact C-N 3.32Å; S615-L617 PolarHBondContact O-N 3.28Å; S615-R618 WeakPolarHBondContact O-CB 3.35Å; S615-R618 PolarHBondContact O-N 3.47Å; S615-R618 PolarHBondContact OG-NH2 2.95Å; S615-R618 VanDerWaalsContact OG-NH2 3.15Å; S615-A619 PolarHBondContact O-N 3.21Å; S615-A619 VanDerWaalsContact O-N 3.09Å
616F84.5Confident77.3Confident0 Ų045.6 Ų45.60%024%0.244CC..Hα-helixtrans-62.8-37.2171.9-84.6-69.6000112.6L541 L546 L563 I568 F582 L584 L601 W612 K613 A619 G620 V621L541-F616 HydrophobicContact CD1-CD1 3.76Å; L541-F616 HydrophobicContact CD1-CE1 3.62Å; L541-F616 HydrophobicContact CD1-CZ 4.4Å; L541-F616 HydrophobicContact CD2-CD1 3.96Å; L541-F616 HydrophobicContact CD2-CD2 4.46Å; L541-F616 HydrophobicContact CD2-CE1 4.23Å; L541-F616 HydrophobicContact CD2-CG 4.07Å; L546-F616 HydrophobicContact CB-CE1 4.4Å; L546-F616 HydrophobicContact CD1-CE1 4Å; L546-F616 HydrophobicContact CD1-CZ 3.72Å; L546-F616 HydrophobicContact CD2-CE1 3.99Å; L546-F616 HydrophobicContact CD2-CZ 3.71Å; L546-F616 HydrophobicContact CG-CE1 4.36Å; L546-F616 HydrophobicContact CG-CZ 4.26Å; L563-F616 HydrophobicContact CD2-CE1 4.34Å; I568-F616 HydrophobicContact CD1-CB 3.28Å; I568-F616 HydrophobicContact CD1-CD2 4.19Å; I568-F616 HydrophobicContact CD1-CG 3.84Å; I568-F616 HydrophobicContact CG1-CB 4.42Å; F582-F616 AromaticContact CE2-CD2 3.91Å; F582-F616 HydrophobicContact CE2-CD2 3.91Å; F582-F616 AromaticContact CE2-CE2 3.58Å; F582-F616 HydrophobicContact CE2-CE2 3.58Å; F582-F616 HydrophobicContact CE2-CZ 4.4Å; F582-F616 HydrophobicContact CZ-CD2 4.19Å; F582-F616 AromaticContact CZ-CE2 3.68Å; F582-F616 HydrophobicContact CZ-CE2 3.68Å; L584-F616 HydrophobicContact CD1-CE1 3.8Å; L584-F616 HydrophobicContact CD1-CZ 3.8Å; L584-F616 HydrophobicContact CD2-CD1 4.26Å; L584-F616 HydrophobicContact CD2-CE1 4.15Å; L584-F616 HydrophobicContact CD2-CZ 4.46Å; L601-F616 HydrophobicContact CD1-CE2 4.44Å; L601-F616 HydrophobicContact CD1-CZ 4.25Å; W612-F616 HydrophobicContact CE3-CD2 4.45Å; W612-F616 AromaticContact CE3-CE2 3.89Å; W612-F616 HydrophobicContact CE3-CE2 3.89Å; W612-F616 WeakPolarHBondContact O-CD2 3.35Å; W612-F616 PolarHBondContact O-N 3.39Å; K613-F616 PolarHBondContact O-N 2.67Å; F616-A619 CarbonylContact O-C 3.44Å; F616-A619 VanDerWaalsContact O-CA 3.3Å; F616-A619 WeakPolarHBondContact O-CA 3.39Å; F616-A619 VanDerWaalsContact O-CB 3.29Å; F616-A619 WeakPolarHBondContact O-CB 3.43Å; F616-A619 PolarHBondContact O-N 3.11Å; F616-G620 PolarHBondContact O-N 3.46Å; F616-G620 VanDerWaalsContact O-N 3.14Å; F616-V621 CarbonylContact C-O 3.3Å; F616-V621 HydrophobicContact CB-CB 4.08Å; F616-V621 HydrophobicContact CD1-CB 4.17Å; F616-V621 HydrophobicContact CD1-CG1 4.48Å; F616-V621 HydrophobicContact CD1-CG2 4.08Å; F616-V621 PolarHBondContact O-N 3.13Å
617L78Confident75.2Confident21 Ų2152.3 Ų52.311%0.1126%0.264CS..Hα-helixtrans-61-44.7171.9-82.8162.2000112.2Y373 K613 A614 S615 A619 G620 V621 Y622Y373-L617 HydrophobicContact CD2-CD1 3.28Å; Y373-L617 HydrophobicContact CE2-CD1 3.36Å; K613-L617 WeakPolarHBondContact O-CG 3.15Å; K613-L617 PolarHBondContact O-N 3.19Å; A614-L617 WeakPolarHBondContact O-CB 3.46Å; A614-L617 PolarHBondContact O-N 2.61Å; S615-L617 VanDerWaalsContact C-N 3.32Å; S615-L617 PolarHBondContact O-N 3.28Å; L617-A619 PolarHBondContact O-N 2.97Å; L617-G620 PolarHBondContact O-N 3.4Å; L617-V621 PolarHBondContact N-O 3.22Å; L617-Y622 HydrophobicContact CD2-CD1 3.51Å; L617-Y622 HydrophobicContact CD2-CE1 4.03Å; L617-Y622 HydrophobicContact CD2-CG 4.28Å
618R70.9Confident73.4Confident165 Ų16552.6 Ų52.662%0.62328%0.276SS*.Hα-helixtrans-60.8-23171.5-69.1-174.4-61.9-178.81.3112.8I517 A614 S615I517-R618 HydrophobicContact CG2-CB 3.96Å; A614-R618 WeakPolarHBondContact O-CG 3.39Å; A614-R618 PolarHBondContact O-N 3.49Å; A614-R618 VanDerWaalsContact O-N 3.1Å; S615-R618 WeakPolarHBondContact O-CB 3.35Å; S615-R618 PolarHBondContact O-N 3.47Å; S615-R618 PolarHBondContact OG-NH2 2.95Å; S615-R618 VanDerWaalsContact OG-NH2 3.15Å
619A77.1Confident71Confident9 Ų958.8 Ų58.87%0.07430%0.304CS..THydrogen-bonded Turntrans-90.23.4175.800000113.6I517 L541 L563 S615 F616 L617I517-A619 HydrophobicContact CD1-CB 3.37Å; L541-A619 HydrophobicContact CD1-CB 3.84Å; L541-A619 HydrophobicContact CD2-CB 4.05Å; L541-A619 HydrophobicContact CG-CB 4.02Å; L563-A619 HydrophobicContact CD1-CB 3.55Å; S615-A619 PolarHBondContact O-N 3.21Å; S615-A619 VanDerWaalsContact O-N 3.09Å; F616-A619 CarbonylContact O-C 3.44Å; F616-A619 VanDerWaalsContact O-CA 3.3Å; F616-A619 WeakPolarHBondContact O-CA 3.39Å; F616-A619 VanDerWaalsContact O-CB 3.29Å; F616-A619 WeakPolarHBondContact O-CB 3.43Å; F616-A619 PolarHBondContact O-N 3.11Å; L617-A619 PolarHBondContact O-N 2.97Å
620G72.6Confident68.3Low39 Ų3967.6 Ų67.640%0.40234%0.342SS..THydrogen-bonded Turntrans81.913.9-179.500000115.1F616 L617 Y622F616-G620 PolarHBondContact O-N 3.46Å; F616-G620 VanDerWaalsContact O-N 3.14Å; L617-G620 PolarHBondContact O-N 3.4Å; G620-Y622 WeakPolarHBondContact O-CD2 3.35Å; G620-Y622 WeakPolarHBondContact O-CE2 3.45Å
621V79.9Confident65.9Low0 Ų070.8 Ų70.80%036%0.363CS..  trans-99.5114.1175.2-174.50000109.4L563 L566 I568 L584 F616 L617L563-V621 HydrophobicContact CB-CG2 3.77Å; L563-V621 HydrophobicContact CD1-CG2 4.03Å; L563-V621 HydrophobicContact CD2-CG2 3.88Å; L563-V621 HydrophobicContact CG-CG2 4.06Å; L566-V621 HydrophobicContact CB-CG1 4.09Å; L566-V621 WeakPolarHBondContact O-CG1 3.49Å; I568-V621 HydrophobicContact CD1-CB 4.45Å; I568-V621 HydrophobicContact CD1-CG1 4Å; I568-V621 HydrophobicContact CG1-CG1 3.75Å; L584-V621 HydrophobicContact CD2-CG1 3.95Å; F616-V621 CarbonylContact C-O 3.3Å; F616-V621 HydrophobicContact CB-CB 4.08Å; F616-V621 HydrophobicContact CD1-CB 4.17Å; F616-V621 HydrophobicContact CD1-CG1 4.48Å; F616-V621 HydrophobicContact CD1-CG2 4.08Å; F616-V621 PolarHBondContact O-N 3.13Å; L617-V621 PolarHBondContact N-O 3.22Å
622Y77.7Confident63.5Low129 Ų12979.4 Ų79.451%0.50640%0.403SS..EExtended strand (participates in β ladder)trans-101.9154.1-171.9-61.1-87.8000112.7K567 I568 L617 G620K567-Y622 CarbonylContact C-O 3.56Å; K567-Y622 WeakPolarHBondContact CA-O 3.4Å; K567-Y622 WeakPolarHBondContact CB-O 3.35Å; I568-Y622 PolarHBondContact N-O 2.99Å; L617-Y622 HydrophobicContact CD2-CD1 3.51Å; L617-Y622 HydrophobicContact CD2-CE1 4.03Å; L617-Y622 HydrophobicContact CD2-CG 4.28Å; G620-Y622 WeakPolarHBondContact O-CD2 3.35Å; G620-Y622 WeakPolarHBondContact O-CE2 3.45Å
623P78.2Confident60.9Low37 Ų3787.2 Ų87.224%0.2444%0.439CS..EExtended strand (participates in β ladder)trans-58.7150.1174.4-23.932.3000113.8I568I568-P623 CarbonylContact O-C 3.46Å; I568-P623 VanDerWaalsContact O-C 3.3Å; I568-P623 WeakPolarHBondContact O-CA 3.49Å
624A72.5Confident58.6Low21 Ų2191.5 Ų91.517%0.17447%0.472CS..PPolyproline II helixtrans-89.9138.4171.500000110.6K567 I568 R569 F585 T626K567-A624 HydrophobicContact CB-CB 4.09Å; K567-A624 HydrophobicContact CD-CB 4.43Å; I568-A624 PolarHBondContact O-N 2.9Å; R569-A624 HydrophobicContact CB-CB 4.09Å; F585-A624 HydrophobicContact CE1-CB 3.32Å; F585-A624 HydrophobicContact CZ-CB 3.23Å; A624-T626 PolarHBondContact O-N 2.75Å
625K62.3Low56.7Low97 Ų9797 Ų9742%0.42250%0.498SS..PPolyproline II helixtrans-59.2125.4-179.6-52.2-178179.8-167.30110.2D381 E383 K627D381-K625 IonicContact OD1-NZ 2.85Å; D381-K625 PolarHBondContact OD1-NZ 3.03Å; D381-K625 WeakPolarHBondContact OD2-CE 3.36Å; D381-K625 IonicContact OD2-NZ 3.89Å; D381-K625 PolarHBondContact OD2-NZ 2.77Å; E383-K625 IonicContact OE2-NZ 3.43Å; E383-K625 PolarHBondContact OE2-NZ 2.89Å; K625-K627 PolarHBondContact O-N 3.25Å
626T47.1Very low54.8Low127 Ų127101.3 Ų101.378%0.77953%0.528SS*.PPolyproline II helixtrans-61.4118.6160.9-21.20000106.1A624 S628A624-T626 PolarHBondContact O-N 2.75Å; T626-S628 PolarHBondContact O-N 3.33Å
627K37.6Very low52.7Low194 Ų194107 Ų10784%0.84357%0.568SS**  trans-66.391.8169.6-75.4-179.5179.3176.50106.5K625 E629K625-K627 PolarHBondContact O-N 3.25Å; K627-E629 PolarHBondContact O-N 3.47Å
628S38.7Very low51Low102 Ų102110.3 Ų110.371%0.71359%0.593SS**  trans-51.4125.9156.228.50000106.4T626 K630T626-S628 PolarHBondContact O-N 3.33Å; S628-K630 PolarHBondContact O-N 2.8Å; S628-K630 VanDerWaalsContact O-N 3.11Å
629E32.7Very low49.8Very low185 Ų185105.6 Ų105.686%0.86458%0.58SS**  trans-44.5123.2177.2-71.2175.5149.300108.4K627 T631K627-E629 PolarHBondContact O-N 3.47Å; E629-T631 VanDerWaalsContact C-N 3.33Å; E629-T631 PolarHBondContact O-N 2.89Å
630K30.5Very low48Very low192 Ų192113.4 Ų113.484%0.83562%0.615SS**  trans-60.399.9-179.1-69.7179.7174.9-172.80107.2S628 E632S628-K630 PolarHBondContact O-N 2.8Å; S628-K630 VanDerWaalsContact O-N 3.11Å; K630-E632 VanDerWaalsContact C-N 3.35Å; K630-E632 PolarHBondContact O-N 3.12Å
631T31.3Very low46.5Very low121 Ų121115.3 Ų115.374%0.74263%0.627SS**  trans-60.2107.6158.4-480000105.4E629 Q633E629-T631 VanDerWaalsContact C-N 3.33Å; E629-T631 PolarHBondContact O-N 2.89Å; T631-Q633 PolarHBondContact O-N 2.92Å
632E30Very low45Very low188 Ų188119.9 Ų119.988%0.87966%0.659SS**  trans-5988.4168.9-66.3-178.1160.700108K630K630-E632 VanDerWaalsContact C-N 3.35Å; K630-E632 PolarHBondContact O-N 3.12Å
633Q33.6Very low44.4Very low168 Ų168119.8 Ų119.879%0.78566%0.663SS**  trans-10898.1157.1-83.2-175.5-9.800107.1T631 D635T631-Q633 PolarHBondContact O-N 2.92Å; Q633-D635 PolarHBondContact O-N 2.68Å; Q633-D635 VanDerWaalsContact O-N 3.12Å
634S35.9Very low44.3Very low107 Ų107123 Ų12375%0.74868%0.684SS**SBendtrans-52.1101.8164.551.30000110.4
635D37Very low44.5Very low133 Ų133127 Ų12771%0.71170%0.699SS**  trans-171.319.6144.5-94.6-12.5000112.6Q633 S637Q633-D635 PolarHBondContact O-N 2.68Å; Q633-D635 VanDerWaalsContact O-N 3.12Å; D635-S637 PolarHBondContact O-N 3.44Å
636S43.9Very low45.5Very low92 Ų92123 Ų12364%0.64368%0.683SS**G310 helixtrans-81.4-7.4-179.164.30000115
637S40.3Very low47.2Very low119 Ų119123.4 Ų123.483%0.83268%0.675SS**G310 helixtrans-85.8-4-172.460.30000115.3D635D635-S637 PolarHBondContact O-N 3.44Å
638S41.9Very low49.3Very low92 Ų92120.2 Ų120.264%0.64366%0.658SS**G310 helixtrans-111.61.3-176.245.90000115
639L45.6Very low51.5Low66 Ų66115.9 Ų115.935%0.34663%0.627SS.*SBendtrans-97.3-8.6-176.1-64.8165.4000114.8Y391 A641Y391-L639 HydrophobicContact CE1-CD1 4.31Å; Y391-L639 VanDerWaalsContact OH-CD1 3.3Å; Y391-L639 WeakPolarHBondContact OH-CD1 3.48Å; L639-A641 VanDerWaalsContact C-N 3.33Å; L639-A641 PolarHBondContact O-N 3.39Å
640E38.3Very low54.1Low172 Ų172107.7 Ų107.780%0.80459%0.589SS**  trans-82.95.4-174.2-69-167.6167.300115.4S642E640-S642 VanDerWaalsContact C-N 3.34Å; E640-S642 PolarHBondContact O-N 3.19Å; E640-S642 PolarHBondContact O-OG 3.29Å
641A41.1Very low56.7Low80 Ų80100.8 Ų100.866%0.66156%0.56SS**  trans-67.297.1166.500000108.6L639 E643L639-A641 VanDerWaalsContact C-N 3.33Å; L639-A641 PolarHBondContact O-N 3.39Å; A641-E643 PolarHBondContact O-N 2.93Å
642S48Very low59.4Low96 Ų9695.4 Ų95.467%0.67153%0.527SS*.  trans-69.594.1-172.2-7.50000109.3E640 P644E640-S642 VanDerWaalsContact C-N 3.34Å; E640-S642 PolarHBondContact O-N 3.19Å; E640-S642 PolarHBondContact O-OG 3.29Å; S642-P644 WeakPolarHBondContact O-CD 3.45Å
643E66.1Low62.3Low126 Ų12686.5 Ų86.559%0.58949%0.485SS*.  trans-74.1108.2164.4-78.5-178.917400108.1A641 Q645 L646 E647A641-E643 PolarHBondContact O-N 2.93Å; E643-Q645 PolarHBondContact O-N 2.99Å; E643-Q645 VanDerWaalsContact O-N 3.07Å; E643-L646 HydrophobicContact CB-CB 4Å; E643-L646 PolarHBondContact O-N 3.35Å; E643-E647 PolarHBondContact O-N 3.45Å
644P75.4Confident64.9Low104 Ų10479.9 Ų79.968%0.67545%0.453SS*.Hα-helixtrans-60.1-27.6-174.6-23.535.5000112.8S642 R648S642-P644 WeakPolarHBondContact O-CD 3.45Å; P644-R648 PolarHBondContact O-N 2.85Å; P644-R648 VanDerWaalsContact O-N 3.14Å
645Q78.1Confident67.4Low107 Ų10775.1 Ų75.150%0.542%0.419SS..Hα-helixtrans-68-42176.2-172.6173.2-1.900112.2G402 E643 R648 Q649G402-Q645 PolarHBondContact O-NE2 3.42Å; G402-Q645 VanDerWaalsContact O-NE2 3.08Å; E643-Q645 PolarHBondContact O-N 2.99Å; E643-Q645 VanDerWaalsContact O-N 3.07Å; Q645-R648 PolarHBondContact O-N 3.44Å; Q645-Q649 WeakPolarHBondContact O-CG 2.95Å; Q645-Q649 PolarHBondContact O-N 3Å
646L83.3Confident70Confident13 Ų1368.8 Ų68.87%0.06839%0.385CS..Hα-helixtrans-66.4-42.8177.4177.863.4000110.9I393 R394 E643 R648 Q649 V650I393-L646 HydrophobicContact CB-CD1 3.92Å; I393-L646 HydrophobicContact CD1-CD1 4.07Å; I393-L646 HydrophobicContact CG2-CD1 3.52Å; R394-L646 HydrophobicContact CG-CD1 4.49Å; R394-L646 HydrophobicContact CG-CD2 4.14Å; E643-L646 HydrophobicContact CB-CB 4Å; E643-L646 PolarHBondContact O-N 3.35Å; L646-R648 VanDerWaalsContact C-N 3.32Å; L646-R648 PolarHBondContact O-N 3.19Å; L646-Q649 PolarHBondContact O-N 3.42Å; L646-V650 HydrophobicContact CD1-CG2 4.39Å; L646-V650 HydrophobicContact CG-CG2 4.44Å; L646-V650 VanDerWaalsContact O-CG2 3.28Å; L646-V650 WeakPolarHBondContact O-CG2 3.42Å; L646-V650 PolarHBondContact O-N 2.77Å
647E81.6Confident72.3Confident135 Ų13564.5 Ų64.563%0.63136%0.355SS*.Hα-helixtrans-60.2-43177.9-170.4171.4-167.200111.7E643 Q649 V650 E651E643-E647 PolarHBondContact O-N 3.45Å; E647-Q649 PolarHBondContact O-N 3.33Å; E647-V650 PolarHBondContact O-N 2.83Å; E647-E651 PolarHBondContact O-N 3.18Å; E647-E651 VanDerWaalsContact O-N 3.1Å
648R81.2Confident74.6Confident126 Ų12660.8 Ų60.848%0.47533%0.326SS..Hα-helixtrans-61.2-44.5173.3-170.7178.8-175.3-150.1-5.1112.3E501 P644 Q645 L646 V650 E651 I652E501-R648 VanDerWaalsContact CG-NH2 3.31Å; E501-R648 IonicContact OE1-CZ 3.36Å; E501-R648 IonicContact OE1-NH1 3.63Å; E501-R648 IonicContact OE1-NH2 2.73Å; E501-R648 PolarHBondContact OE1-NH2 2.74Å; P644-R648 PolarHBondContact O-N 2.85Å; P644-R648 VanDerWaalsContact O-N 3.14Å; Q645-R648 PolarHBondContact O-N 3.44Å; L646-R648 VanDerWaalsContact C-N 3.32Å; L646-R648 PolarHBondContact O-N 3.19Å; R648-V650 VanDerWaalsContact C-N 3.33Å; R648-V650 PolarHBondContact O-N 2.84Å; R648-E651 PolarHBondContact O-N 2.83Å; R648-I652 HydrophobicContact CG-CD1 4.24Å; R648-I652 WeakPolarHBondContact O-CG1 3.45Å; R648-I652 PolarHBondContact O-N 3.38Å
649Q85.1Confident76.9Confident12 Ų1256.8 Ų56.86%0.05630%0.298CS..Hα-helixtrans-63.4-39.2177.4-71.6176.8-5.500112.1I393 H397 T405 Q645 L646 E647 E651 I652 I653I393-Q649 HydrophobicContact CD1-CB 3.87Å; H397-Q649 PolarHBondContact CE1-OE1 3.16Å; T405-Q649 HydrophobicContact CG2-CB 4.35Å; T405-Q649 HydrophobicContact CG2-CG 4.45Å; Q645-Q649 WeakPolarHBondContact O-CG 2.95Å; Q645-Q649 PolarHBondContact O-N 3Å; L646-Q649 PolarHBondContact O-N 3.42Å; E647-Q649 PolarHBondContact O-N 3.33Å; Q649-E651 VanDerWaalsContact C-N 3.34Å; Q649-E651 PolarHBondContact O-N 3.23Å; Q649-I652 PolarHBondContact O-N 3.02Å; Q649-I653 WeakPolarHBondContact O-CG1 3.34Å; Q649-I653 PolarHBondContact O-N 3.45Å
650V88.1Confident79.2Confident13 Ų1353.9 Ų53.98%0.07928%0.282CS..Hα-helixtrans-59.5-45.9175.6168.80000110.7R386 I389 I393 L646 E647 R648 I653 R654R386-V650 HydrophobicContact CB-CG1 3.88Å; R386-V650 HydrophobicContact CG-CG1 3.93Å; I389-V650 HydrophobicContact CB-CG1 4.27Å; I389-V650 HydrophobicContact CG2-CB 4.16Å; I389-V650 HydrophobicContact CG2-CG1 4.08Å; I389-V650 HydrophobicContact CG2-CG2 4.06Å; I393-V650 HydrophobicContact CD1-CG2 3.77Å; L646-V650 HydrophobicContact CD1-CG2 4.39Å; L646-V650 HydrophobicContact CG-CG2 4.44Å; L646-V650 VanDerWaalsContact O-CG2 3.28Å; L646-V650 WeakPolarHBondContact O-CG2 3.42Å; L646-V650 PolarHBondContact O-N 2.77Å; E647-V650 PolarHBondContact O-N 2.83Å; R648-V650 VanDerWaalsContact C-N 3.33Å; R648-V650 PolarHBondContact O-N 2.84Å; V650-I653 PolarHBondContact O-N 2.97Å; V650-R654 WeakPolarHBondContact O-CB 3.37Å; V650-R654 PolarHBondContact O-N 2.9Å
651E86Confident81.7Confident47 Ų4746 Ų4622%0.2225%0.246CC..Hα-helixtrans-70-37.4-178.4-164.956.9-14200112.5R386 E647 R648 Q649 R654 N655R386-E651 IonicContact CZ-OE2 3.26Å; R386-E651 IonicContact NE-OE2 2.77Å; R386-E651 PolarHBondContact NE-OE2 3.4Å; R386-E651 IonicContact NH2-OE2 3.57Å; E647-E651 PolarHBondContact O-N 3.18Å; E647-E651 VanDerWaalsContact O-N 3.1Å; R648-E651 PolarHBondContact O-N 2.83Å; Q649-E651 VanDerWaalsContact C-N 3.34Å; Q649-E651 PolarHBondContact O-N 3.23Å; E651-R654 WeakPolarHBondContact O-CB 3.36Å; E651-R654 PolarHBondContact O-N 3.17Å; E651-R654 VanDerWaalsContact OE1-CD 3.23Å; E651-R654 WeakPolarHBondContact OE1-CD 3.29Å; E651-R654 IonicContact OE1-CZ 3.28Å; E651-R654 IonicContact OE1-NE 3.94Å; E651-R654 PolarHBondContact OE1-NE 3.33Å; E651-N655 WeakPolarHBondContact O-CB 3.46Å; E651-N655 VanDerWaalsContact O-CG 3.23Å; E651-N655 PolarHBondContact O-N 3.46Å; E651-N655 PolarHBondContact O-ND2 2.92Å; E651-N655 PolarHBondContact OE1-OD1 3.15Å
652I87.2Confident84.1Confident8 Ų847.7 Ų47.74%0.04124%0.238CC..Hα-helixtrans-58.5-50.9172.6-67.6168.6000110.3T405 F497 A500 E501 R648 Q649 R654 N655 L656T405-I652 HydrophobicContact CG2-CG2 4.37Å; F497-I652 HydrophobicContact CD1-CG2 4.36Å; A500-I652 HydrophobicContact CB-CG2 4.29Å; E501-I652 HydrophobicContact CB-CD1 4.25Å; E501-I652 HydrophobicContact CB-CG1 4.47Å; E501-I652 HydrophobicContact CG-CD1 4.01Å; R648-I652 HydrophobicContact CG-CD1 4.24Å; R648-I652 WeakPolarHBondContact O-CG1 3.45Å; R648-I652 PolarHBondContact O-N 3.38Å; Q649-I652 PolarHBondContact O-N 3.02Å; I652-R654 VanDerWaalsContact C-N 3.32Å; I652-R654 PolarHBondContact O-N 3.41Å; I652-N655 PolarHBondContact O-N 2.92Å; I652-L656 HydrophobicContact CG2-CD1 4.05Å; I652-L656 WeakPolarHBondContact O-CG 3.3Å; I652-L656 PolarHBondContact O-N 3.39Å
653I90.3Very high86.3Confident1 Ų143.7 Ų43.71%0.00521%0.209CC..Hα-helixtrans-64.1-39.9179.2-65.9-176.1000110.7I389 I393 T405 A409 F410 Q649 V650 N655 L656 V657I389-I653 HydrophobicContact CD1-CG2 4.14Å; I389-I653 HydrophobicContact CG1-CG2 4.04Å; I389-I653 HydrophobicContact CG2-CB 3.78Å; I389-I653 HydrophobicContact CG2-CD1 4.22Å; I389-I653 HydrophobicContact CG2-CG2 3.77Å; I393-I653 HydrophobicContact CD1-CD1 3.93Å; I393-I653 HydrophobicContact CG1-CD1 3.83Å; T405-I653 HydrophobicContact CG2-CD1 3.8Å; T405-I653 HydrophobicContact CG2-CG1 3.6Å; A409-I653 HydrophobicContact CB-CD1 3.41Å; A409-I653 VanDerWaalsContact CB-CD1 3.41Å; F410-I653 HydrophobicContact CB-CG2 4.14Å; Q649-I653 WeakPolarHBondContact O-CG1 3.34Å; Q649-I653 PolarHBondContact O-N 3.45Å; V650-I653 PolarHBondContact O-N 2.97Å; I653-N655 PolarHBondContact O-N 3.39Å; I653-L656 PolarHBondContact O-N 3.33Å; I653-V657 HydrophobicContact CG2-CG2 4Å; I653-V657 WeakPolarHBondContact O-CB 3.49Å; I653-V657 VanDerWaalsContact O-CG2 3.22Å; I653-V657 WeakPolarHBondContact O-CG2 3.45Å; I653-V657 PolarHBondContact O-N 3.22Å
654R89.4Confident87.6Confident28 Ų2837.7 Ų37.711%0.10618%0.181CC..Hα-helixtrans-57.4-47175.4-172.1-132.374.981.711.8111.5E382 L385 I389 V650 E651 I652 L656 V657 D658E382-R654 IonicContact OE1-CZ 3.08Å; E382-R654 IonicContact OE1-NH1 3.6Å; E382-R654 PolarHBondContact OE1-NH1 3.23Å; E382-R654 VanDerWaalsContact OE1-NH1 3.12Å; L385-R654 HydrophobicContact CD2-CG 4.38Å; I389-R654 HydrophobicContact CD1-CB 3.96Å; V650-R654 WeakPolarHBondContact O-CB 3.37Å; V650-R654 PolarHBondContact O-N 2.9Å; E651-R654 WeakPolarHBondContact O-CB 3.36Å; E651-R654 PolarHBondContact O-N 3.17Å; E651-R654 VanDerWaalsContact OE1-CD 3.23Å; E651-R654 WeakPolarHBondContact OE1-CD 3.29Å; E651-R654 IonicContact OE1-CZ 3.28Å; E651-R654 IonicContact OE1-NE 3.94Å; E651-R654 PolarHBondContact OE1-NE 3.33Å; I652-R654 VanDerWaalsContact C-N 3.32Å; I652-R654 PolarHBondContact O-N 3.41Å; R654-L656 PolarHBondContact O-N 3.27Å; R654-V657 PolarHBondContact O-N 2.73Å; R654-D658 IonicContact NH1-OD2 3.51Å; R654-D658 IonicContact NH2-OD2 2.84Å; R654-D658 PolarHBondContact NH2-OD2 3.43Å; R654-D658 VanDerWaalsContact O-CB 3.29Å; R654-D658 WeakPolarHBondContact O-CB 3.44Å; R654-D658 PolarHBondContact O-N 3Å
655N87.5Confident88.5Confident7 Ų733.3 Ų33.34%0.03715%0.152CC..Hα-helixtrans-61.5-42.4177-69.7-20.7000112.2I495 A500 E651 I652 I653 S659I495-N655 HydrophobicContact CD1-CB 4.15Å; I495-N655 WeakPolarHBondContact CD1-O 3.34Å; A500-N655 HydrophobicContact CB-CB 4.05Å; A500-N655 PolarHBondContact O-ND2 3.41Å; E651-N655 WeakPolarHBondContact O-CB 3.46Å; E651-N655 VanDerWaalsContact O-CG 3.23Å; E651-N655 PolarHBondContact O-N 3.46Å; E651-N655 PolarHBondContact O-ND2 2.92Å; E651-N655 PolarHBondContact OE1-OD1 3.15Å; I652-N655 PolarHBondContact O-N 2.92Å; I653-N655 PolarHBondContact O-N 3.39Å; N655-S659 WeakPolarHBondContact O-CB 3.22Å; N655-S659 PolarHBondContact O-N 3.18Å
656L91.3Very high89.2Confident0 Ų034.7 Ų34.70%016%0.156CC..Hα-helixtrans-65.3-46.5176.5-66.6169.6000111.6F410 F494 I495 G496 F497 A500 I652 I653 R654 S659 Y660F410-L656 HydrophobicContact CD2-CB 3.51Å; F410-L656 VanDerWaalsContact CE2-C 3.49Å; F410-L656 HydrophobicContact CE2-CB 3.64Å; F410-L656 HydrophobicContact CG-CB 4.36Å; F494-L656 HydrophobicContact CE1-CD2 4.28Å; F494-L656 HydrophobicContact CE2-CD2 4.31Å; F494-L656 WeakPolarHBondContact CE2-O 3.4Å; F494-L656 HydrophobicContact CZ-CB 4.36Å; F494-L656 HydrophobicContact CZ-CD2 3.69Å; I495-L656 HydrophobicContact CG1-CD2 4.23Å; G496-L656 WeakPolarHBondContact O-CD2 3.49Å; F497-L656 HydrophobicContact CD1-CD1 3.71Å; F497-L656 HydrophobicContact CD2-CD1 4.37Å; F497-L656 HydrophobicContact CE1-CD1 3.43Å; F497-L656 VanDerWaalsContact CE1-CD1 3.43Å; F497-L656 HydrophobicContact CE2-CD1 4.13Å; F497-L656 HydrophobicContact CG-CD1 4.18Å; F497-L656 HydrophobicContact CZ-CD1 3.66Å; A500-L656 HydrophobicContact CB-CD2 3.59Å; A500-L656 HydrophobicContact CB-CG 3.72Å; I652-L656 HydrophobicContact CG2-CD1 4.05Å; I652-L656 WeakPolarHBondContact O-CG 3.3Å; I652-L656 PolarHBondContact O-N 3.39Å; I653-L656 PolarHBondContact O-N 3.33Å; R654-L656 PolarHBondContact O-N 3.27Å; L656-S659 PolarHBondContact O-N 2.94Å; L656-Y660 WeakPolarHBondContact O-CB 3.33Å; L656-Y660 PolarHBondContact O-N 3.1Å
657V91.8Very high89.8Confident3 Ų336.2 Ų36.22%0.01817%0.166CC..Hα-helixtrans-58.1-50.7176.7171.70000109.8F410 I413 Q417 I653 R654 S659 Y660 M661F410-V657 HydrophobicContact CD2-CG2 3.92Å; F410-V657 HydrophobicContact CE2-CG2 4.36Å; I413-V657 HydrophobicContact CB-CG2 4.18Å; I413-V657 HydrophobicContact CG2-CG1 4.21Å; I413-V657 HydrophobicContact CG2-CG2 3.76Å; Q417-V657 HydrophobicContact CG-CG1 4.41Å; I653-V657 HydrophobicContact CG2-CG2 4Å; I653-V657 WeakPolarHBondContact O-CB 3.49Å; I653-V657 VanDerWaalsContact O-CG2 3.22Å; I653-V657 WeakPolarHBondContact O-CG2 3.45Å; I653-V657 PolarHBondContact O-N 3.22Å; R654-V657 PolarHBondContact O-N 2.73Å; V657-S659 PolarHBondContact O-N 3.28Å; V657-Y660 PolarHBondContact O-N 2.92Å; V657-M661 HydrophobicContact CG1-CG 4.03Å; V657-M661 VanDerWaalsContact O-CB 3.3Å; V657-M661 WeakPolarHBondContact O-CB 3.09Å; V657-M661 WeakPolarHBondContact O-CG 3.28Å; V657-M661 PolarHBondContact O-N 3.39Å
658D88.6Confident90.5Very high40 Ų4029.8 Ų29.821%0.21414%0.136CC..Hα-helixtrans-59-44.7178.8178.540.2000112.1R654 K662R654-D658 IonicContact NH1-OD2 3.51Å; R654-D658 IonicContact NH2-OD2 2.84Å; R654-D658 PolarHBondContact NH2-OD2 3.43Å; R654-D658 VanDerWaalsContact O-CB 3.29Å; R654-D658 WeakPolarHBondContact O-CB 3.44Å; R654-D658 PolarHBondContact O-N 3Å; D658-K662 VanDerWaalsContact O-CG 3.31Å; D658-K662 WeakPolarHBondContact O-CG 3.43Å; D658-K662 PolarHBondContact O-N 2.81Å; D658-K662 VanDerWaalsContact O-N 3.09Å; D658-K662 WeakPolarHBondContact OD1-CE 3.41Å; D658-K662 IonicContact OD1-NZ 3.49Å; D658-K662 PolarHBondContact OD1-NZ 2.81Å; D658-K662 VanDerWaalsContact OD1-NZ 3.14Å; D658-K662 IonicContact OD2-NZ 3.86Å; D658-K662 PolarHBondContact OD2-NZ 3.44Å
659S89.9Confident91.2Very high8 Ų826 Ų266%0.05613%0.125CC..Hα-helixtrans-62.2-45175.7174.30000112.5F494 I495 N655 L656 V657F494-S659 WeakPolarHBondContact CD2-OG 3.48Å; I495-S659 WeakPolarHBondContact CG2-OG 3.36Å; I495-S659 PolarHBondContact N-OG 3.45Å; I495-S659 VanDerWaalsContact N-OG 3.09Å; N655-S659 WeakPolarHBondContact O-CB 3.22Å; N655-S659 PolarHBondContact O-N 3.18Å; L656-S659 PolarHBondContact O-N 2.94Å; V657-S659 PolarHBondContact O-N 3.28Å
660Y93.8Very high91.7Very high6 Ų629.1 Ų29.12%0.02414%0.142CC..Hα-helixtrans-69.6-42.2-179.5-162.3-100.3000111.8F410 T414 I418 M487 N488 F494 L656 V657 K662 I663 V664F410-Y660 HydrophobicContact CZ-CG 4.24Å; T414-Y660 HydrophobicContact CG2-CD1 3.33Å; T414-Y660 HydrophobicContact CG2-CE1 3.98Å; T414-Y660 HydrophobicContact CG2-CG 4.13Å; I418-Y660 HydrophobicContact CD1-CD1 4.33Å; I418-Y660 HydrophobicContact CD1-CE1 3.9Å; M487-Y660 VanDerWaalsContact CA-OH 3.3Å; M487-Y660 WeakPolarHBondContact CA-OH 3.35Å; M487-Y660 HydrophobicContact CG-CE1 4.39Å; N488-Y660 PolarHBondContact N-OH 2.86Å; F494-Y660 AromaticContact CD2-CD2 3.88Å; F494-Y660 HydrophobicContact CD2-CD2 3.88Å; F494-Y660 HydrophobicContact CE2-CD2 4.02Å; F494-Y660 HydrophobicContact CE2-CG 4.39Å; L656-Y660 WeakPolarHBondContact O-CB 3.33Å; L656-Y660 PolarHBondContact O-N 3.1Å; V657-Y660 PolarHBondContact O-N 2.92Å; Y660-K662 VanDerWaalsContact C-N 3.31Å; Y660-K662 PolarHBondContact O-N 3.16Å; Y660-I663 WeakPolarHBondContact O-CB 3.18Å; Y660-I663 PolarHBondContact O-N 3.44Å; Y660-V664 HydrophobicContact CD1-CG2 3.76Å; Y660-V664 HydrophobicContact CE1-CG2 3.47Å; Y660-V664 VanDerWaalsContact CE1-CG2 3.47Å; Y660-V664 PolarHBondContact O-N 2.93Å; Y660-V664 VanDerWaalsContact O-N 3.11Å
661M91.9Very high92.2Very high6 Ų631.2 Ų31.23%0.0315%0.152CC..Hα-helixtrans-61.6-38.3178.9-72.8-54.4-5900111.8T414 Q417 I418 M421 V657 I663 V664 I665T414-M661 HydrophobicContact CG2-SD 4.47Å; Q417-M661 HydrophobicContact CB-CE 3.76Å; Q417-M661 HydrophobicContact CB-CG 4.19Å; Q417-M661 HydrophobicContact CB-SD 3.56Å; Q417-M661 VanDerWaalsContact CB-SD 3.56Å; I418-M661 HydrophobicContact CG1-CE 4.46Å; I418-M661 HydrophobicContact CG1-SD 3.81Å; M421-M661 HydrophobicContact CG-CE 4.38Å; M421-M661 HydrophobicContact SD-CE 3.71Å; V657-M661 HydrophobicContact CG1-CG 4.03Å; V657-M661 VanDerWaalsContact O-CB 3.3Å; V657-M661 WeakPolarHBondContact O-CB 3.09Å; V657-M661 WeakPolarHBondContact O-CG 3.28Å; V657-M661 PolarHBondContact O-N 3.39Å; M661-I663 PolarHBondContact O-N 2.91Å; M661-V664 PolarHBondContact O-N 3.28Å; M661-I665 HydrophobicContact CB-CD1 4.46Å; M661-I665 HydrophobicContact CE-CD1 4.35Å; M661-I665 HydrophobicContact CE-CG1 4.3Å; M661-I665 VanDerWaalsContact O-CB 3.26Å; M661-I665 WeakPolarHBondContact O-CB 3.37Å; M661-I665 VanDerWaalsContact O-CG1 3.23Å; M661-I665 WeakPolarHBondContact O-CG1 3.23Å; M661-I665 PolarHBondContact O-N 2.98Å
662K91.2Very high92.8Very high115 Ų11529 Ų2950%0.514%0.142SC..Hα-helixtrans-55.8-39173.1-76.9167.4-172.5154.40112.9D658 Y660 K666D658-K662 VanDerWaalsContact O-CG 3.31Å; D658-K662 WeakPolarHBondContact O-CG 3.43Å; D658-K662 PolarHBondContact O-N 2.81Å; D658-K662 VanDerWaalsContact O-N 3.09Å; D658-K662 WeakPolarHBondContact OD1-CE 3.41Å; D658-K662 IonicContact OD1-NZ 3.49Å; D658-K662 PolarHBondContact OD1-NZ 2.81Å; D658-K662 VanDerWaalsContact OD1-NZ 3.14Å; D658-K662 IonicContact OD2-NZ 3.86Å; D658-K662 PolarHBondContact OD2-NZ 3.44Å; Y660-K662 VanDerWaalsContact C-N 3.31Å; Y660-K662 PolarHBondContact O-N 3.16Å; K662-K666 WeakPolarHBondContact O-CB 3.49Å; K662-K666 PolarHBondContact O-N 3.42Å; K662-K666 VanDerWaalsContact O-N 3.08Å
663I93.6Very high93.3Very high12 Ų1229.5 Ų29.56%0.06215%0.146CC..Hα-helixtrans-67-53.8177.6-58.5165.1000109.4H491 D493 F494 Y660 M661 I665 K666 T667H491-I663 HydrophobicContact CB-CD1 4.11Å; H491-I663 WeakPolarHBondContact NE2-CG2 3.17Å; D493-I663 HydrophobicContact CB-CD1 4.15Å; D493-I663 HydrophobicContact CB-CG1 3.94Å; F494-I663 HydrophobicContact CB-CD1 3.78Å; F494-I663 HydrophobicContact CD2-CD1 4.36Å; Y660-I663 WeakPolarHBondContact O-CB 3.18Å; Y660-I663 PolarHBondContact O-N 3.44Å; M661-I663 PolarHBondContact O-N 2.91Å; I663-I665 PolarHBondContact O-N 3.11Å; I663-K666 PolarHBondContact O-N 3.46Å; I663-T667 PolarHBondContact O-N 2.99Å; I663-T667 PolarHBondContact O-OG1 3.39Å
664V94.6Very high93.7Very high0 Ų035 Ų350%017%0.17CC..Hα-helixtrans-62.6-42.4-176.8-176.30000111.4I418 M421 Q483 Y660 M661 T667 Q668I418-V664 HydrophobicContact CD1-CG2 4.16Å; I418-V664 HydrophobicContact CG1-CG1 4.23Å; I418-V664 HydrophobicContact CG1-CG2 4.37Å; I418-V664 HydrophobicContact CG2-CG1 4.42Å; M421-V664 HydrophobicContact CE-CG1 3.87Å; M421-V664 HydrophobicContact SD-CB 4.46Å; M421-V664 HydrophobicContact SD-CG1 3.73Å; Q483-V664 HydrophobicContact CB-CG1 4.14Å; Q483-V664 HydrophobicContact CG-CG1 3.94Å; Y660-V664 HydrophobicContact CD1-CG2 3.76Å; Y660-V664 HydrophobicContact CE1-CG2 3.47Å; Y660-V664 VanDerWaalsContact CE1-CG2 3.47Å; Y660-V664 PolarHBondContact O-N 2.93Å; Y660-V664 VanDerWaalsContact O-N 3.11Å; M661-V664 PolarHBondContact O-N 3.28Å; V664-T667 PolarHBondContact O-N 3.29Å; V664-Q668 WeakPolarHBondContact O-CB 3.47Å; V664-Q668 PolarHBondContact O-N 3.21Å
665I93.7Very high94.1Very high13 Ų1335 Ų357%0.06717%0.172CC..Hα-helixtrans-61.6-47.8176.3-71.4173.7000110.4M375 E379 M421 M661 I663 T667 Q668 L669M375-I665 HydrophobicContact CG-CB 4.36Å; M375-I665 HydrophobicContact CG-CD1 4.31Å; M375-I665 HydrophobicContact CG-CG1 3.93Å; M375-I665 HydrophobicContact CG-CG2 3.79Å; E379-I665 HydrophobicContact CG-CD1 4.16Å; E379-I665 WeakPolarHBondContact OE1-CD1 3.2Å; M421-I665 HydrophobicContact CE-CG1 4.19Å; M421-I665 HydrophobicContact SD-CG1 4.14Å; M661-I665 HydrophobicContact CB-CD1 4.46Å; M661-I665 HydrophobicContact CE-CD1 4.35Å; M661-I665 HydrophobicContact CE-CG1 4.3Å; M661-I665 VanDerWaalsContact O-CB 3.26Å; M661-I665 WeakPolarHBondContact O-CB 3.37Å; M661-I665 VanDerWaalsContact O-CG1 3.23Å; M661-I665 WeakPolarHBondContact O-CG1 3.23Å; M661-I665 PolarHBondContact O-N 2.98Å; I663-I665 PolarHBondContact O-N 3.11Å; I665-T667 VanDerWaalsContact C-N 3.32Å; I665-T667 PolarHBondContact O-N 3.32Å; I665-Q668 PolarHBondContact O-N 3.12Å; I665-L669 HydrophobicContact CG2-CD1 3.79Å; I665-L669 HydrophobicContact CG2-CG 4.1Å; I665-L669 WeakPolarHBondContact O-CB 3.36Å; I665-L669 VanDerWaalsContact O-CG 3.23Å; I665-L669 WeakPolarHBondContact O-CG 3.44Å; I665-L669 PolarHBondContact O-N 2.72Å
666K94Very high94.6Very high135 Ų13534.7 Ų34.759%0.58717%0.17SC*.Hα-helixtrans-58.6-43.6177.2-177.5-179.3173.4-169.60111.5D493 K662 I663 D670D493-K666 IonicContact OD2-NZ 3.02Å; D493-K666 PolarHBondContact OD2-NZ 3.07Å; K662-K666 WeakPolarHBondContact O-CB 3.49Å; K662-K666 PolarHBondContact O-N 3.42Å; K662-K666 VanDerWaalsContact O-N 3.08Å; I663-K666 PolarHBondContact O-N 3.46Å; K666-D670 PolarHBondContact O-N 3.35Å
667T95.3Very high94.9Very high45 Ų4537.6 Ų37.628%0.27618%0.184SC..Hα-helixtrans-63.1-45.2174.8-59.90000111.8I663 V664 I665 D670 L671I663-T667 PolarHBondContact O-N 2.99Å; I663-T667 PolarHBondContact O-OG1 3.39Å; V664-T667 PolarHBondContact O-N 3.29Å; I665-T667 VanDerWaalsContact C-N 3.32Å; I665-T667 PolarHBondContact O-N 3.32Å; T667-D670 PolarHBondContact O-N 3.28Å; T667-L671 HydrophobicContact CG2-CD1 3.6Å; T667-L671 HydrophobicContact CG2-CG 4.11Å; T667-L671 WeakPolarHBondContact O-CB 3.27Å; T667-L671 WeakPolarHBondContact O-CG 3.48Å; T667-L671 PolarHBondContact O-N 3.37Å
668Q95.2Very high95.2Very high1 Ų142.8 Ų42.81%0.00521%0.208CC..Hα-helixtrans-66.5-40.4-179.2-164.472.210.800112.3M375 M421 S425 V664 I665 D670 L671 V672M375-Q668 HydrophobicContact CE-CB 4.27Å; M375-Q668 HydrophobicContact CE-CG 3.75Å; M421-Q668 HydrophobicContact CE-CB 3.26Å; M421-Q668 HydrophobicContact CE-CG 3.5Å; S425-Q668 PolarHBondContact OG-NE2 3.46Å; S425-Q668 VanDerWaalsContact OG-NE2 3.09Å; V664-Q668 WeakPolarHBondContact O-CB 3.47Å; V664-Q668 PolarHBondContact O-N 3.21Å; I665-Q668 PolarHBondContact O-N 3.12Å; Q668-D670 PolarHBondContact O-N 3.41Å; Q668-L671 PolarHBondContact O-N 3.45Å; Q668-V672 HydrophobicContact CG-CG2 3.79Å; Q668-V672 WeakPolarHBondContact O-CB 3.48Å; Q668-V672 WeakPolarHBondContact O-CG2 3.48Å; Q668-V672 PolarHBondContact O-N 3.17Å
669L95.8Very high95.7Very high47 Ų4742.5 Ų42.525%0.24621%0.206CC..Hα-helixtrans-64.2-23.6176-69.2-179.1000112.9L371 P372 M375 I665 P673L371-L669 HydrophobicContact CD1-CD2 4.42Å; L371-L669 HydrophobicContact CD2-CD2 3.98Å; L371-L669 HydrophobicContact CG-CD2 3.62Å; P372-L669 HydrophobicContact CB-CD1 4.3Å; P372-L669 HydrophobicContact CB-CD2 4.34Å; P372-L669 HydrophobicContact CG-CD1 4.38Å; P372-L669 HydrophobicContact CG-CD2 4.05Å; M375-L669 HydrophobicContact CB-CD2 4.24Å; M375-L669 HydrophobicContact CE-CD2 4.45Å; I665-L669 HydrophobicContact CG2-CD1 3.79Å; I665-L669 HydrophobicContact CG2-CG 4.1Å; I665-L669 WeakPolarHBondContact O-CB 3.36Å; I665-L669 VanDerWaalsContact O-CG 3.23Å; I665-L669 WeakPolarHBondContact O-CG 3.44Å; I665-L669 PolarHBondContact O-N 2.72Å; L669-P673 WeakPolarHBondContact O-CD 3.05Å; L669-P673 WeakPolarHBondContact O-CG 3.09Å
670D97Very high96Very high76 Ų7642.1 Ų42.141%0.40620%0.203SC..Hα-helixtrans-87.2-45.5173.9179.964.8000112.5K666 T667 Q668 K674K666-D670 PolarHBondContact O-N 3.35Å; T667-D670 PolarHBondContact O-N 3.28Å; Q668-D670 PolarHBondContact O-N 3.41Å; D670-K674 WeakPolarHBondContact O-CD 3.41Å; D670-K674 WeakPolarHBondContact O-CG 3.38Å; D670-K674 WeakPolarHBondContact OD1-CE 3.27Å; D670-K674 IonicContact OD1-NZ 2.81Å; D670-K674 PolarHBondContact OD1-NZ 3.1Å; D670-K674 IonicContact OD2-NZ 2.65Å; D670-K674 PolarHBondContact OD2-NZ 3.14Å
671L97.9Very high96.2Very high57 Ų5741.9 Ų41.930%0.29820%0.202SC..Hα-helixtrans-77.7-36.4-172.6-66.1-176.7000113.6L479 T667 Q668 K674 L675L479-L671 HydrophobicContact CD1-CB 4.02Å; L479-L671 HydrophobicContact CD2-CD1 4Å; T667-L671 HydrophobicContact CG2-CD1 3.6Å; T667-L671 HydrophobicContact CG2-CG 4.11Å; T667-L671 WeakPolarHBondContact O-CB 3.27Å; T667-L671 WeakPolarHBondContact O-CG 3.48Å; T667-L671 PolarHBondContact O-N 3.37Å; Q668-L671 PolarHBondContact O-N 3.45Å; L671-K674 PolarHBondContact O-N 2.82Å; L671-L675 VanDerWaalsContact O-CB 3.26Å; L671-L675 WeakPolarHBondContact O-CB 3.45Å; L671-L675 PolarHBondContact O-N 2.97Å
672V98.1Very high96.5Very high0 Ų045.1 Ų45.10%022%0.22CC..Hα-helixtrans-62.2-49.7-178.7170.40000111.8L371 C428 I476 Q668 K674 L675 L676L371-V672 HydrophobicContact CD2-CB 4.13Å; L371-V672 HydrophobicContact CD2-CG1 4.04Å; C428-V672 HydrophobicContact CB-CG1 4.47Å; I476-V672 HydrophobicContact CD1-CG1 4.43Å; Q668-V672 HydrophobicContact CG-CG2 3.79Å; Q668-V672 WeakPolarHBondContact O-CB 3.48Å; Q668-V672 WeakPolarHBondContact O-CG2 3.48Å; Q668-V672 PolarHBondContact O-N 3.17Å; V672-K674 PolarHBondContact O-N 3.17Å; V672-L675 PolarHBondContact O-N 2.92Å; V672-L676 HydrophobicContact CG1-CD1 3.85Å; V672-L676 HydrophobicContact CG1-CG 4.44Å; V672-L676 WeakPolarHBondContact O-CG 3.37Å; V672-L676 PolarHBondContact O-N 2.93Å
673P98.2Very high96.8Very high19 Ų1942.1 Ų42.112%0.12321%0.208CC..Hα-helixtrans-59.2-43.3175.1-27.537.7000113.4F367 L371 L669 L675 L676 M677F367-P673 HydrophobicContact CB-CB 4.13Å; F367-P673 HydrophobicContact CB-CG 4Å; F367-P673 HydrophobicContact CD1-CB 3.86Å; F367-P673 HydrophobicContact CD1-CG 3.95Å; F367-P673 HydrophobicContact CD2-CB 3.92Å; F367-P673 HydrophobicContact CE1-CB 4.19Å; F367-P673 HydrophobicContact CE2-CB 4.24Å; F367-P673 HydrophobicContact CG-CB 3.72Å; F367-P673 HydrophobicContact CG-CG 3.98Å; F367-P673 HydrophobicContact CZ-CB 4.38Å; L371-P673 HydrophobicContact CD2-CG 4.1Å; L669-P673 WeakPolarHBondContact O-CD 3.05Å; L669-P673 WeakPolarHBondContact O-CG 3.09Å; P673-L675 PolarHBondContact O-N 3.45Å; P673-L676 PolarHBondContact O-N 3.37Å; P673-M677 WeakPolarHBondContact O-CB 3.14Å; P673-M677 VanDerWaalsContact O-CG 3.31Å; P673-M677 WeakPolarHBondContact O-CG 3.35Å; P673-M677 PolarHBondContact O-N 2.98Å
674K98.3Very high97Very high117 Ų11741.6 Ų41.651%0.50921%0.205SC..Hα-helixtrans-61.8-43.6178.5-72.7173.6-178.1170.20111.8D670 L671 V672 M677 H678D670-K674 WeakPolarHBondContact O-CD 3.41Å; D670-K674 WeakPolarHBondContact O-CG 3.38Å; D670-K674 WeakPolarHBondContact OD1-CE 3.27Å; D670-K674 IonicContact OD1-NZ 2.81Å; D670-K674 PolarHBondContact OD1-NZ 3.1Å; D670-K674 IonicContact OD2-NZ 2.65Å; D670-K674 PolarHBondContact OD2-NZ 3.14Å; L671-K674 PolarHBondContact O-N 2.82Å; V672-K674 PolarHBondContact O-N 3.17Å; K674-M677 PolarHBondContact O-N 3.2Å; K674-H678 WeakPolarHBondContact O-CB 3.44Å; K674-H678 PolarHBondContact O-N 3.11Å
675L98.3Very high97.1Very high29 Ų2942.5 Ų42.515%0.15221%0.209CC..Hα-helixtrans-62.3-47.7176.8-178.772.1000111Q475 I476 L479 L671 V672 P673 H678 M679Q475-L675 HydrophobicContact CB-CD1 3.81Å; Q475-L675 HydrophobicContact CB-CD2 3.68Å; Q475-L675 HydrophobicContact CB-CG 4.27Å; Q475-L675 HydrophobicContact CG-CD1 4.41Å; I476-L675 HydrophobicContact CB-CD2 4.43Å; I476-L675 HydrophobicContact CG1-CD2 3.56Å; L479-L675 HydrophobicContact CD1-CD2 3.75Å; L479-L675 HydrophobicContact CG-CD2 4.49Å; L671-L675 VanDerWaalsContact O-CB 3.26Å; L671-L675 WeakPolarHBondContact O-CB 3.45Å; L671-L675 PolarHBondContact O-N 2.97Å; V672-L675 PolarHBondContact O-N 2.92Å; P673-L675 PolarHBondContact O-N 3.45Å; L675-H678 PolarHBondContact O-N 3.36Å; L675-M679 HydrophobicContact CD1-CG 3.63Å; L675-M679 HydrophobicContact CG-CG 4.14Å; L675-M679 VanDerWaalsContact O-CB 3.25Å; L675-M679 WeakPolarHBondContact O-CB 3.49Å; L675-M679 WeakPolarHBondContact O-CG 3.33Å; L675-M679 PolarHBondContact O-N 2.99Å
676L98.5Very high97.3Very high0 Ų045.7 Ų45.70%023%0.232CC..Hα-helixtrans-65.3-40.3179.2-70.1171.9000112F367 A429 V432 A472 I476 V672 P673 H678 L680 V681F367-L676 HydrophobicContact CE1-CB 4.2Å; F367-L676 HydrophobicContact CE1-CD1 3.8Å; F367-L676 HydrophobicContact CZ-CB 4.07Å; F367-L676 HydrophobicContact CZ-CD1 4.49Å; A429-L676 HydrophobicContact CB-CD1 4.36Å; A429-L676 HydrophobicContact CB-CD2 3.68Å; V432-L676 HydrophobicContact CG2-CD1 4.32Å; A472-L676 HydrophobicContact CB-CD2 4.19Å; I476-L676 HydrophobicContact CD1-CD2 3.98Å; I476-L676 HydrophobicContact CD1-CG 4.35Å; V672-L676 HydrophobicContact CG1-CD1 3.85Å; V672-L676 HydrophobicContact CG1-CG 4.44Å; V672-L676 WeakPolarHBondContact O-CG 3.37Å; V672-L676 PolarHBondContact O-N 2.93Å; P673-L676 PolarHBondContact O-N 3.37Å; L676-H678 VanDerWaalsContact C-N 3.34Å; L676-H678 PolarHBondContact O-N 3.01Å; L676-L680 HydrophobicContact CD2-CD1 3.52Å; L676-L680 HydrophobicContact CD2-CG 4.34Å; L676-L680 WeakPolarHBondContact O-CA 3.41Å; L676-L680 VanDerWaalsContact O-CB 3.25Å; L676-L680 WeakPolarHBondContact O-CB 3.47Å; L676-L680 PolarHBondContact O-N 3.02Å; L676-V681 PolarHBondContact O-N 3.41Å
677M97.9Very high97.4Very high61 Ų6139.7 Ų39.730%0.321%0.206SC..Iπ-helixtrans-61.1-43.2173.8-75.1-57.3-58.500112.1F367 P673 K674 V681 N682F367-M677 HydrophobicContact CE2-CG 3.9Å; F367-M677 HydrophobicContact CE2-SD 3.85Å; F367-M677 HydrophobicContact CZ-CG 4.34Å; F367-M677 HydrophobicContact CZ-SD 4.38Å; P673-M677 WeakPolarHBondContact O-CB 3.14Å; P673-M677 VanDerWaalsContact O-CG 3.31Å; P673-M677 WeakPolarHBondContact O-CG 3.35Å; P673-M677 PolarHBondContact O-N 2.98Å; K674-M677 PolarHBondContact O-N 3.2Å; M677-V681 HydrophobicContact CE-CB 3.96Å; M677-V681 HydrophobicContact CE-CG1 3.85Å; M677-V681 HydrophobicContact CE-CG2 4.3Å; M677-V681 PolarHBondContact O-N 2.82Å; M677-V681 HydrophobicContact SD-CB 4.05Å; M677-V681 HydrophobicContact SD-CG1 4.37Å; M677-V681 HydrophobicContact SD-CG2 3.75Å; M677-N682 WeakPolarHBondContact O-CB 3.46Å; M677-N682 VanDerWaalsContact O-CG 3.22Å; M677-N682 PolarHBondContact O-N 3.42Å; M677-N682 PolarHBondContact O-ND2 2.71Å
678H98.2Very high97.5Very high112 Ų11237.7 Ų37.752%0.51919%0.194SC..Iπ-helixtrans-71.1-52.9179.6-177.265.4000112.4K674 L675 L676K674-H678 WeakPolarHBondContact O-CB 3.44Å; K674-H678 PolarHBondContact O-N 3.11Å; L675-H678 PolarHBondContact O-N 3.36Å; L676-H678 VanDerWaalsContact C-N 3.34Å; L676-H678 PolarHBondContact O-N 3.01Å
679M97.8Very high97.5Very high34 Ų3445.1 Ų45.117%0.16723%0.226CC..Iπ-helixtrans-81.6-25.1-169.7-65.7-69.3-71.400114.3R471 A472 Q475 L675 E683R471-M679 HydrophobicContact CB-CE 3.99Å; A472-M679 HydrophobicContact CB-CB 4.07Å; Q475-M679 HydrophobicContact CG-CE 3.93Å; L675-M679 HydrophobicContact CD1-CG 3.63Å; L675-M679 HydrophobicContact CG-CG 4.14Å; L675-M679 VanDerWaalsContact O-CB 3.25Å; L675-M679 WeakPolarHBondContact O-CB 3.49Å; L675-M679 WeakPolarHBondContact O-CG 3.33Å; L675-M679 PolarHBondContact O-N 2.99Å; M679-E683 WeakPolarHBondContact O-CG 3.36Å
680L97.7Very high97.3Very high0 Ų044.9 Ų44.90%023%0.234CC..Iπ-helixtrans-107.5-72.5177.2-64.8173000111V432 V433 L436 R468 E469 A472 L676 N682 E683 I684V432-L680 HydrophobicContact CG1-CD1 4.21Å; V433-L680 HydrophobicContact CG2-CD1 3.97Å; V433-L680 HydrophobicContact CG2-CD2 4.49Å; L436-L680 HydrophobicContact CD1-CB 4.16Å; R468-L680 VanDerWaalsContact C-CD2 3.41Å; R468-L680 HydrophobicContact CB-CD2 3.69Å; E469-L680 HydrophobicContact CB-CD2 4.48Å; A472-L680 HydrophobicContact CB-CD1 4.41Å; A472-L680 HydrophobicContact CB-CD2 4.23Å; A472-L680 HydrophobicContact CB-CG 4.04Å; L676-L680 HydrophobicContact CD2-CD1 3.52Å; L676-L680 HydrophobicContact CD2-CG 4.34Å; L676-L680 WeakPolarHBondContact O-CA 3.41Å; L676-L680 VanDerWaalsContact O-CB 3.25Å; L676-L680 WeakPolarHBondContact O-CB 3.47Å; L676-L680 PolarHBondContact O-N 3.02Å; L680-N682 PolarHBondContact O-N 3.15Å; L680-E683 PolarHBondContact O-N 3.44Å; L680-I684 WeakPolarHBondContact O-CD1 3.44Å; L680-I684 WeakPolarHBondContact O-CG1 3.37Å; L680-I684 PolarHBondContact O-N 2.98Å
681V97.3Very high97.2Very high0 Ų046.2 Ų46.20%024%0.238CC..Iπ-helixtrans-62.2-47.8-164.3-177.50000111.5I345 L436 L676 M677 I684 K685I345-V681 HydrophobicContact CG2-CG1 3.69Å; L436-V681 HydrophobicContact CD1-CG2 4.35Å; L436-V681 HydrophobicContact CD2-CG2 4.3Å; L676-V681 PolarHBondContact O-N 3.41Å; M677-V681 HydrophobicContact CE-CB 3.96Å; M677-V681 HydrophobicContact CE-CG1 3.85Å; M677-V681 HydrophobicContact CE-CG2 4.3Å; M677-V681 PolarHBondContact O-N 2.82Å; M677-V681 HydrophobicContact SD-CB 4.05Å; M677-V681 HydrophobicContact SD-CG1 4.37Å; M677-V681 HydrophobicContact SD-CG2 3.75Å; V681-I684 PolarHBondContact O-N 3.3Å; V681-K685 WeakPolarHBondContact O-CG 3.25Å; V681-K685 PolarHBondContact O-N 3.45Å; V681-K685 VanDerWaalsContact O-N 3.11Å
682N97.2Very high97.1Very high75 Ų7543.5 Ų43.540%0.40122%0.224SC..Iπ-helixtrans-71.6-36.3-179.8-68.9-19.7000112.7M677 L680 K685 S686M677-N682 WeakPolarHBondContact O-CB 3.46Å; M677-N682 VanDerWaalsContact O-CG 3.22Å; M677-N682 PolarHBondContact O-N 3.42Å; M677-N682 PolarHBondContact O-ND2 2.71Å; L680-N682 PolarHBondContact O-N 3.15Å; N682-K685 PolarHBondContact O-N 3.12Å; N682-S686 WeakPolarHBondContact O-CB 3.5Å; N682-S686 PolarHBondContact O-N 2.86Å
683E97.6Very high96.9Very high52 Ų5245.5 Ų45.524%0.24324%0.235CC..Hα-helixtrans-66.3-36175-73-65.813100112.4W464 R468 M679 L680 F687W464-E683 PolarHBondContact NE1-O 3.25Å; R468-E683 HydrophobicContact CG-CB 4.36Å; R468-E683 IonicContact CZ-OE2 2.78Å; R468-E683 IonicContact NE-OE2 3.78Å; R468-E683 IonicContact NH1-OE2 3.36Å; R468-E683 PolarHBondContact NH1-OE2 3.14Å; R468-E683 IonicContact NH2-OE2 3.14Å; R468-E683 PolarHBondContact NH2-OE2 3.48Å; M679-E683 WeakPolarHBondContact O-CG 3.36Å; L680-E683 PolarHBondContact O-N 3.44Å; E683-F687 WeakPolarHBondContact O-CB 3.26Å; E683-F687 PolarHBondContact O-N 2.84Å
684I97.8Very high96.7Very high0 Ų047.2 Ų47.20%025%0.246CC..Hα-helixtrans-65.6-49.4173.4-65.6156.6000109.5F341 L436 I465 L680 V681 S686 F687 L688F341-I684 HydrophobicContact CE1-CG2 3.81Å; F341-I684 HydrophobicContact CE2-CG2 4.26Å; F341-I684 HydrophobicContact CZ-CB 4.43Å; F341-I684 HydrophobicContact CZ-CG2 3.56Å; L436-I684 HydrophobicContact CD1-CD1 3.71Å; L436-I684 HydrophobicContact CD2-CD1 4.21Å; L436-I684 HydrophobicContact CG-CD1 4.4Å; I465-I684 HydrophobicContact CD1-CD1 4.4Å; I465-I684 HydrophobicContact CG1-CD1 3.66Å; I465-I684 HydrophobicContact CG1-CG1 4.02Å; L680-I684 WeakPolarHBondContact O-CD1 3.44Å; L680-I684 WeakPolarHBondContact O-CG1 3.37Å; L680-I684 PolarHBondContact O-N 2.98Å; V681-I684 PolarHBondContact O-N 3.3Å; I684-S686 VanDerWaalsContact C-N 3.3Å; I684-S686 PolarHBondContact O-N 3.41Å; I684-F687 WeakPolarHBondContact O-CB 3.29Å; I684-F687 PolarHBondContact O-N 2.77Å; I684-F687 VanDerWaalsContact O-N 3.09Å; I684-L688 HydrophobicContact CG2-CD1 4.25Å; I684-L688 HydrophobicContact CG2-CG 4.25Å; I684-L688 WeakPolarHBondContact O-CG 3.48Å; I684-L688 PolarHBondContact O-N 3.38Å
685K97Very high96.5Very high20 Ų2044.1 Ų44.19%0.08724%0.235CC..Hα-helixtrans-55.1-44.6176-72.8174.5175.2-172.50112.4F341 D346 V681 N682 F687 L688 K689F341-K685 HydrophobicContact CD1-CG 4.35Å; F341-K685 HydrophobicContact CE1-CG 4.05Å; D346-K685 IonicContact OD1-NZ 2.68Å; D346-K685 PolarHBondContact OD1-NZ 3.15Å; D346-K685 IonicContact OD2-NZ 3.12Å; D346-K685 PolarHBondContact OD2-NZ 2.82Å; V681-K685 WeakPolarHBondContact O-CG 3.25Å; V681-K685 PolarHBondContact O-N 3.45Å; V681-K685 VanDerWaalsContact O-N 3.11Å; N682-K685 PolarHBondContact O-N 3.12Å; K685-F687 VanDerWaalsContact C-N 3.35Å; K685-F687 PolarHBondContact O-N 2.6Å; K685-L688 PolarHBondContact O-N 2.84Å; K685-K689 PolarHBondContact O-N 3.37Å; K685-K689 VanDerWaalsContact O-N 3.16Å
686S97.3Very high96.3Very high79 Ų7942.7 Ų42.755%0.55223%0.227SC*.Hα-helixtrans-62.4-41.9176.9-170.10000112.1N682 I684 K689 G690N682-S686 WeakPolarHBondContact O-CB 3.5Å; N682-S686 PolarHBondContact O-N 2.86Å; I684-S686 VanDerWaalsContact C-N 3.3Å; I684-S686 PolarHBondContact O-N 3.41Å; S686-K689 PolarHBondContact O-N 3.12Å; S686-G690 PolarHBondContact O-N 2.78Å; S686-G690 VanDerWaalsContact O-N 3.14Å
687F98Very high95.8Very high9 Ų947.7 Ų47.74%0.03925%0.247CC..Hα-helixtrans-63.8-43.8176.4176.1-91.4000112.2I460 V461 W464 E683 I684 K685 K689 G690 E691 L692I460-F687 HydrophobicContact CG2-CE1 3.87Å; I460-F687 HydrophobicContact CG2-CZ 3.55Å; V461-F687 HydrophobicContact CG2-CE1 4.4Å; W464-F687 HydrophobicContact CB-CD1 4.38Å; W464-F687 HydrophobicContact CB-CE1 4.32Å; W464-F687 HydrophobicContact CB-CZ 4.43Å; W464-F687 AromaticContact CD1-CD1 3.94Å; W464-F687 AromaticContact CD1-CG 3.58Å; W464-F687 HydrophobicContact CD2-CB 4.46Å; W464-F687 AromaticContact CD2-CD2 3.62Å; W464-F687 HydrophobicContact CD2-CD2 3.62Å; W464-F687 HydrophobicContact CD2-CE2 4.02Å; W464-F687 HydrophobicContact CD2-CG 4.01Å; W464-F687 AromaticContact CE2-CD2 3.51Å; W464-F687 AromaticContact CE2-CG 3.77Å; W464-F687 HydrophobicContact CE3-CD2 4.11Å; W464-F687 HydrophobicContact CE3-CE2 4.17Å; W464-F687 HydrophobicContact CG-CB 4.32Å; W464-F687 HydrophobicContact CG-CD1 4.1Å; W464-F687 AromaticContact CG-CD2 3.88Å; W464-F687 HydrophobicContact CG-CD2 3.88Å; W464-F687 HydrophobicContact CG-CE1 4.44Å; W464-F687 HydrophobicContact CG-CE2 4.23Å; W464-F687 AromaticContact CG-CG 3.83Å; W464-F687 HydrophobicContact CG-CG 3.83Å; W464-F687 HydrophobicContact CH2-CD2 4.27Å; W464-F687 HydrophobicContact CZ2-CB 4.23Å; W464-F687 AromaticContact CZ2-CD2 3.81Å; W464-F687 HydrophobicContact CZ2-CD2 3.81Å; W464-F687 HydrophobicContact CZ2-CG 4.36Å; W464-F687 HydrophobicContact CZ3-CD2 4.43Å; W464-F687 AromaticContact NE1-CD2 3.82Å; W464-F687 AromaticContact NE1-CG 3.56Å; E683-F687 WeakPolarHBondContact O-CB 3.26Å; E683-F687 PolarHBondContact O-N 2.84Å; I684-F687 WeakPolarHBondContact O-CB 3.29Å; I684-F687 PolarHBondContact O-N 2.77Å; I684-F687 VanDerWaalsContact O-N 3.09Å; K685-F687 VanDerWaalsContact C-N 3.35Å; K685-F687 PolarHBondContact O-N 2.6Å; F687-K689 VanDerWaalsContact C-N 3.29Å; F687-K689 PolarHBondContact O-N 2.84Å; F687-G690 PolarHBondContact O-N 3.12Å; F687-E691 HydrophobicContact CD2-CB 3.42Å; F687-E691 VanDerWaalsContact CD2-CB 3.42Å; F687-E691 HydrophobicContact CD2-CG 4.2Å; F687-E691 HydrophobicContact CE2-CB 3.6Å; F687-E691 HydrophobicContact CG-CB 4.13Å; F687-E691 HydrophobicContact CZ-CB 4.43Å; F687-E691 WeakPolarHBondContact O-CA 3.39Å; F687-E691 PolarHBondContact O-N 3.27Å; F687-L692 HydrophobicContact CD1-CB 4.43Å; F687-L692 HydrophobicContact CE1-CB 4.08Å; F687-L692 HydrophobicContact CE1-CD1 4.22Å; F687-L692 PolarHBondContact O-N 3.43Å
688L96.9Very high95.5Very high3 Ų352.2 Ų52.22%0.01627%0.267CS..Hα-helixtrans-59.9-40.5178.2-66.7-173.9000112.3F337 E338 F341 V461 I684 K685 L692F337-L688 HydrophobicContact CD1-CD2 4.32Å; F337-L688 HydrophobicContact CE1-CD1 4.32Å; F337-L688 HydrophobicContact CE1-CD2 3.55Å; F337-L688 HydrophobicContact CZ-CD2 4.39Å; E338-L688 HydrophobicContact CG-CB 4.28Å; F341-L688 HydrophobicContact CB-CD1 3.67Å; F341-L688 HydrophobicContact CD1-CD1 3.39Å; F341-L688 HydrophobicContact CD2-CD1 4.05Å; F341-L688 HydrophobicContact CE1-CD1 4.01Å; F341-L688 HydrophobicContact CG-CD1 3.41Å; F341-L688 VanDerWaalsContact CG-CD1 3.41Å; V461-L688 HydrophobicContact CG1-CD2 4.24Å; V461-L688 HydrophobicContact CG2-CD2 3.64Å; I684-L688 HydrophobicContact CG2-CD1 4.25Å; I684-L688 HydrophobicContact CG2-CG 4.25Å; I684-L688 WeakPolarHBondContact O-CG 3.48Å; I684-L688 PolarHBondContact O-N 3.38Å; K685-L688 PolarHBondContact O-N 2.84Å; L688-L692 HydrophobicContact CD2-CD2 3.79Å
689K93.7Very high94.8Very high158 Ų15848.9 Ų48.969%0.68726%0.259SS*.Hα-helixtrans-73.4-35.9-178.9-175.1174.4-179-1800114.1E338 K685 S686 F687E338-K689 WeakPolarHBondContact OE1-CB 3.12Å; E338-K689 WeakPolarHBondContact OE1-CG 3.46Å; K685-K689 PolarHBondContact O-N 3.37Å; K685-K689 VanDerWaalsContact O-N 3.16Å; S686-K689 PolarHBondContact O-N 3.12Å; F687-K689 VanDerWaalsContact C-N 3.29Å; F687-K689 PolarHBondContact O-N 2.84Å
690G92Very high93.7Very high41 Ų4148.9 Ų48.942%0.42327%0.268SS..Hα-helixtrans-112.1-43-170.400000115.4S686 F687 P694S686-G690 PolarHBondContact O-N 2.78Å; S686-G690 VanDerWaalsContact O-N 3.14Å; F687-G690 PolarHBondContact O-N 3.12Å; G690-P694 WeakPolarHBondContact O-CD 3.26Å
691E95.4Very high93Very high105 Ų10553.5 Ų53.549%0.49129%0.293SS..THydrogen-bonded Turntrans-107.8-24.4-162.5-65.1-60.2148.700113.2F687 L693 P694 N695F687-E691 HydrophobicContact CD2-CB 3.42Å; F687-E691 VanDerWaalsContact CD2-CB 3.42Å; F687-E691 HydrophobicContact CD2-CG 4.2Å; F687-E691 HydrophobicContact CE2-CB 3.6Å; F687-E691 HydrophobicContact CG-CB 4.13Å; F687-E691 HydrophobicContact CZ-CB 4.43Å; F687-E691 WeakPolarHBondContact O-CA 3.39Å; F687-E691 PolarHBondContact O-N 3.27Å; E691-L693 PolarHBondContact O-N 3.12Å; E691-P694 WeakPolarHBondContact O-CD 3.42Å; E691-N695 WeakPolarHBondContact O-CB 3.41Å; E691-N695 PolarHBondContact O-N 2.76Å; E691-N695 PolarHBondContact O-ND2 3.24Å
692L96.5Very high92.4Very high0 Ų055 Ų550%030%0.3CS..Hα-helixtrans-58.7-48.3-178.4174.560.2000112.1V334 F337 T457 I460 V461 F687 L688 N695 L696V334-L692 HydrophobicContact CG1-CD2 3.98Å; V334-L692 HydrophobicContact CG1-CG 4.29Å; F337-L692 HydrophobicContact CD1-CD2 3.69Å; F337-L692 HydrophobicContact CE1-CD2 3.77Å; T457-L692 HydrophobicContact CG2-CD1 4.3Å; T457-L692 HydrophobicContact CG2-CD2 4.08Å; I460-L692 HydrophobicContact CB-CD1 4.45Å; I460-L692 HydrophobicContact CG2-CD1 4Å; V461-L692 HydrophobicContact CG2-CD1 4.02Å; V461-L692 HydrophobicContact CG2-CD2 4.42Å; F687-L692 HydrophobicContact CD1-CB 4.43Å; F687-L692 HydrophobicContact CE1-CB 4.08Å; F687-L692 HydrophobicContact CE1-CD1 4.22Å; F687-L692 PolarHBondContact O-N 3.43Å; L688-L692 HydrophobicContact CD2-CD2 3.79Å; L692-N695 PolarHBondContact O-N 2.97Å; L692-L696 HydrophobicContact CD1-CD1 4.02Å; L692-L696 HydrophobicContact CD1-CG 4.07Å; L692-L696 HydrophobicContact CG-CD1 3.97Å; L692-L696 HydrophobicContact CG-CG 4.46Å; L692-L696 WeakPolarHBondContact O-CG 3.31Å; L692-L696 PolarHBondContact O-N 2.94Å
693L93.6Very high91.7Very high42 Ų4255 Ų5522%0.2230%0.3CS..Hα-helixtrans-63.5-48.4-177.7-178.666.9000112.4L330 L331 V334 E691 N695 L696 Y697L330-L693 HydrophobicContact CD2-CD1 3.91Å; L330-L693 HydrophobicContact CG-CD1 3.85Å; L331-L693 HydrophobicContact CD1-CD2 3.82Å; V334-L693 HydrophobicContact CG1-CB 4.35Å; V334-L693 HydrophobicContact CG2-CD1 4.23Å; E691-L693 PolarHBondContact O-N 3.12Å; L693-N695 VanDerWaalsContact C-N 3.31Å; L693-N695 PolarHBondContact O-N 3.02Å; L693-L696 PolarHBondContact O-N 3.2Å; L693-Y697 HydrophobicContact CD1-CD2 4.17Å; L693-Y697 HydrophobicContact CD1-CE2 3.71Å; L693-Y697 HydrophobicContact CD2-CE2 4.31Å; L693-Y697 HydrophobicContact CG-CD2 4.08Å; L693-Y697 HydrophobicContact CG-CE2 3.77Å; L693-Y697 VanDerWaalsContact O-CD2 3.26Å; L693-Y697 WeakPolarHBondContact O-CD2 3.49Å; L693-Y697 PolarHBondContact O-N 3.17Å; L693-Y697 VanDerWaalsContact O-N 3.11Å
694P93.5Very high91.2Very high54 Ų5454.7 Ų54.735%0.35130%0.304SS..Hα-helixtrans-53.9-42.8170-2833.5000114.1G690 E691 L696 Y697 Q698G690-P694 WeakPolarHBondContact O-CD 3.26Å; E691-P694 WeakPolarHBondContact O-CD 3.42Å; P694-L696 VanDerWaalsContact C-N 3.34Å; P694-L696 PolarHBondContact O-N 2.68Å; P694-Y697 PolarHBondContact O-N 2.95Å; P694-Q698 WeakPolarHBondContact O-CG 3.35Å; P694-Q698 PolarHBondContact O-N 3.31Å; P694-Q698 VanDerWaalsContact O-N 3.15Å
695N94.3Very high90.7Very high52 Ų5255 Ų5528%0.27831%0.306SS..Hα-helixtrans-64.2-38.2178-82.9-82.4000112I460 E691 L692 L693 Q698 A699I460-N695 HydrophobicContact CD1-CB 4.21Å; I460-N695 HydrophobicContact CG2-CB 4.01Å; E691-N695 WeakPolarHBondContact O-CB 3.41Å; E691-N695 PolarHBondContact O-N 2.76Å; E691-N695 PolarHBondContact O-ND2 3.24Å; L692-N695 PolarHBondContact O-N 2.97Å; L693-N695 VanDerWaalsContact C-N 3.31Å; L693-N695 PolarHBondContact O-N 3.02Å; N695-Q698 PolarHBondContact O-N 3.43Å; N695-A699 WeakPolarHBondContact O-CB 3.37Å; N695-A699 PolarHBondContact O-N 3.12Å
696L93.5Very high90.3Very high0 Ų054.2 Ų54.20%030%0.302CS..Hα-helixtrans-64.9-37.8175.2-73.8168.4000112.5L330 V334 L453 E456 I460 L692 L693 P694 Q698 A699 L705L330-L696 HydrophobicContact CD1-CD1 4.43Å; V334-L696 HydrophobicContact CG2-CD1 3.52Å; L453-L696 HydrophobicContact CD1-CD1 3.95Å; L453-L696 HydrophobicContact CD1-CD2 3.98Å; E456-L696 HydrophobicContact CB-CD2 4.1Å; I460-L696 HydrophobicContact CD1-CD2 3.75Å; I460-L696 HydrophobicContact CD1-CG 4.18Å; L692-L696 HydrophobicContact CD1-CD1 4.02Å; L692-L696 HydrophobicContact CD1-CG 4.07Å; L692-L696 HydrophobicContact CG-CD1 3.97Å; L692-L696 HydrophobicContact CG-CG 4.46Å; L692-L696 WeakPolarHBondContact O-CG 3.31Å; L692-L696 PolarHBondContact O-N 2.94Å; L693-L696 PolarHBondContact O-N 3.2Å; P694-L696 VanDerWaalsContact C-N 3.34Å; P694-L696 PolarHBondContact O-N 2.68Å; L696-Q698 VanDerWaalsContact C-N 3.28Å; L696-Q698 PolarHBondContact O-N 3.14Å; L696-A699 PolarHBondContact O-N 3.37Å; L696-L705 HydrophobicContact CB-CD2 4.22Å; L696-L705 HydrophobicContact CD2-CD2 4.34Å
697Y89.8Confident89.7Confident104 Ų10452.3 Ų52.341%0.40829%0.289SS..Hα-helixtrans-66-29.7173.7-82.9-68.5000113.3L330 L693 P694 L702L330-Y697 HydrophobicContact CD2-CE1 4.01Å; L330-Y697 HydrophobicContact CD2-CE2 4.08Å; L693-Y697 HydrophobicContact CD1-CD2 4.17Å; L693-Y697 HydrophobicContact CD1-CE2 3.71Å; L693-Y697 HydrophobicContact CD2-CE2 4.31Å; L693-Y697 HydrophobicContact CG-CD2 4.08Å; L693-Y697 HydrophobicContact CG-CE2 3.77Å; L693-Y697 VanDerWaalsContact O-CD2 3.26Å; L693-Y697 WeakPolarHBondContact O-CD2 3.49Å; L693-Y697 PolarHBondContact O-N 3.17Å; L693-Y697 VanDerWaalsContact O-N 3.11Å; P694-Y697 PolarHBondContact O-N 2.95Å; Y697-L702 HydrophobicContact CE1-CD1 4.3Å
698Q89.8Confident89.1Confident156 Ų15653.4 Ų53.473%0.72929%0.294SS*.Hα-helixtrans-84.5-29.6178.1-68.3177.115.200112.8P694 N695 L696 G700P694-Q698 WeakPolarHBondContact O-CG 3.35Å; P694-Q698 PolarHBondContact O-N 3.31Å; P694-Q698 VanDerWaalsContact O-N 3.15Å; N695-Q698 PolarHBondContact O-N 3.43Å; L696-Q698 VanDerWaalsContact C-N 3.28Å; L696-Q698 PolarHBondContact O-N 3.14Å; Q698-G700 VanDerWaalsContact C-N 3.33Å; Q698-G700 PolarHBondContact O-N 2.97Å
699A83.8Confident88.6Confident43 Ų4354.3 Ų54.336%0.35530%0.301SS..Hα-helixtrans-69.9-26.1-174.600000113.7I460 N695 L696I460-A699 HydrophobicContact CD1-CB 4.02Å; N695-A699 WeakPolarHBondContact O-CB 3.37Å; N695-A699 PolarHBondContact O-N 3.12Å; L696-A699 PolarHBondContact O-N 3.37Å
700G74.7Confident88.1Confident34 Ų3452.2 Ų52.235%0.35130%0.297SS..SBendtrans-168.7174.3-178.900000115.4Q698 L702Q698-G700 VanDerWaalsContact C-N 3.33Å; Q698-G700 PolarHBondContact O-N 2.97Å; G700-L702 PolarHBondContact O-N 3.29Å
701D84.1Confident87.5Confident96 Ų9652.4 Ų52.451%0.51330%0.299SS..  trans-66.5128.2171.1174.821.6000110N703 S704 L705D701-N703 PolarHBondContact O-N 2.89Å; D701-N703 VanDerWaalsContact O-N 3.08Å; D701-N703 PolarHBondContact OD1-N 3.28Å; D701-N703 PolarHBondContact OD1-ND2 3.44Å; D701-N703 WeakPolarHBondContact OD2-CB 3.41Å; D701-S704 WeakPolarHBondContact O-CA 3.33Å; D701-S704 WeakPolarHBondContact O-CB 3.2Å; D701-S704 PolarHBondContact O-N 3.42Å; D701-L705 PolarHBondContact O-N 3.49Å
702L84.4Confident86.9Confident31 Ų3149.3 Ų49.316%0.16229%0.287CS..Hα-helixtrans-51.4-34.7177.4-178.866000111.9K326 L330 Y697 G700 M706K326-L702 HydrophobicContact CB-CD1 4.5Å; K326-L702 HydrophobicContact CB-CD2 4.12Å; K326-L702 HydrophobicContact CB-CG 4.15Å; L330-L702 HydrophobicContact CB-CD1 4.44Å; L330-L702 HydrophobicContact CD2-CD1 3.65Å; Y697-L702 HydrophobicContact CE1-CD1 4.3Å; G700-L702 PolarHBondContact O-N 3.29Å; L702-M706 HydrophobicContact CD1-CG 3.81Å; L702-M706 HydrophobicContact CG-CG 4.45Å; L702-M706 WeakPolarHBondContact O-CB 3.31Å; L702-M706 WeakPolarHBondContact O-CG 3.43Å; L702-M706 PolarHBondContact O-N 2.7Å
703N83.2Confident86.2Confident75 Ų7553.2 Ų53.240%0.40131%0.305SS..Hα-helixtrans-69.4-37.8179-65.4-58.9000113.2K326 D701K326-N703 PolarHBondContact NZ-OD1 3.01Å; D701-N703 PolarHBondContact O-N 2.89Å; D701-N703 VanDerWaalsContact O-N 3.08Å; D701-N703 PolarHBondContact OD1-N 3.28Å; D701-N703 PolarHBondContact OD1-ND2 3.44Å; D701-N703 WeakPolarHBondContact OD2-CB 3.41Å
704S86.2Confident85.7Confident46 Ų4656.5 Ų56.532%0.32232%0.32SS..Hα-helixtrans-69.6-46.3175.7176.80000110.5R452 D701 M706 S707R452-S704 WeakPolarHBondContact CD-O 3.48Å; R452-S704 PolarHBondContact NH1-OG 2.98Å; D701-S704 WeakPolarHBondContact O-CA 3.33Å; D701-S704 WeakPolarHBondContact O-CB 3.2Å; D701-S704 PolarHBondContact O-N 3.42Å; S704-M706 VanDerWaalsContact C-N 3.34Å; S704-M706 PolarHBondContact O-N 3.25Å; S704-S707 WeakPolarHBondContact O-CB 3.03Å; S704-S707 PolarHBondContact O-N 3.04Å; S704-S707 PolarHBondContact O-OG 3.19Å
705L87.8Confident85.1Confident6 Ų659.8 Ų59.83%0.03133%0.328CS..Hα-helixtrans-62.7-42-176.9-165.469.4000112.1L330 L453 E456 L696 D701 S707L330-L705 HydrophobicContact CD1-CD2 4.13Å; L453-L705 HydrophobicContact CB-CD1 4.26Å; L453-L705 HydrophobicContact CB-CG 4.01Å; L453-L705 WeakPolarHBondContact CB-O 3.36Å; L453-L705 HydrophobicContact CD1-CD1 4.17Å; L453-L705 HydrophobicContact CD1-CD2 3.68Å; L453-L705 HydrophobicContact CD1-CG 3.78Å; L453-L705 HydrophobicContact CG-CG 4.49Å; L453-L705 PolarHBondContact N-O 3.12Å; E456-L705 HydrophobicContact CB-CD1 3.8Å; E456-L705 HydrophobicContact CG-CD1 3.84Å; L696-L705 HydrophobicContact CB-CD2 4.22Å; L696-L705 HydrophobicContact CD2-CD2 4.34Å; D701-L705 PolarHBondContact O-N 3.49Å; L705-S707 VanDerWaalsContact C-N 3.29Å; L705-S707 PolarHBondContact O-N 3.44Å
706M87.7Confident84.6Confident4 Ų458.8 Ų58.82%0.0232%0.321CS..THydrogen-bonded Turntrans-92.227.6-178.8-59.9-58.9-63.400113K326 A329 L330 F450 L453 L702 S704 E708K326-M706 HydrophobicContact CB-CB 4.24Å; K326-M706 HydrophobicContact CB-CG 4.17Å; K326-M706 HydrophobicContact CD-CB 3.95Å; K326-M706 HydrophobicContact CG-CB 3.89Å; K326-M706 HydrophobicContact CG-CG 4.38Å; A329-M706 HydrophobicContact CB-CE 3.58Å; L330-M706 HydrophobicContact CB-CE 4.23Å; L330-M706 HydrophobicContact CB-CG 4.44Å; L330-M706 HydrophobicContact CB-SD 3.76Å; L330-M706 HydrophobicContact CD1-SD 3.93Å; L330-M706 HydrophobicContact CG-SD 4.41Å; F450-M706 HydrophobicContact CD1-CE 3.93Å; F450-M706 HydrophobicContact CD2-CE 3.97Å; F450-M706 HydrophobicContact CE1-CE 3.72Å; F450-M706 HydrophobicContact CE2-CE 3.77Å; F450-M706 HydrophobicContact CG-CE 4.05Å; F450-M706 HydrophobicContact CZ-CE 3.64Å; L453-M706 HydrophobicContact CD2-SD 3.84Å; L702-M706 HydrophobicContact CD1-CG 3.81Å; L702-M706 HydrophobicContact CG-CG 4.45Å; L702-M706 WeakPolarHBondContact O-CB 3.31Å; L702-M706 WeakPolarHBondContact O-CG 3.43Å; L702-M706 PolarHBondContact O-N 2.7Å; S704-M706 VanDerWaalsContact C-N 3.34Å; S704-M706 PolarHBondContact O-N 3.25Å; M706-E708 PolarHBondContact O-N 3.06Å
707S85.8Confident84.1Confident39 Ų3961.9 Ų61.927%0.27334%0.337SS..PPolyproline II helixtrans-70127.4170.365.10000109.9S704 L705S704-S707 WeakPolarHBondContact O-CB 3.03Å; S704-S707 PolarHBondContact O-N 3.04Å; S704-S707 PolarHBondContact O-OG 3.19Å; L705-S707 VanDerWaalsContact C-N 3.29Å; L705-S707 PolarHBondContact O-N 3.44Å
708E84.9Confident83.7Confident32 Ų3261.4 Ų61.415%0.1534%0.338CS..PPolyproline II helixtrans-68154.2176.888.1-167.3-172.100111.8Y318 N449 M706 V712 Q713 R716Y318-E708 VanDerWaalsContact CE1-OE2 3.25Å; Y318-E708 WeakPolarHBondContact CE1-OE2 3.44Å; Y318-E708 VanDerWaalsContact CZ-OE2 3.31Å; Y318-E708 PolarHBondContact OH-OE2 3.33Å; N449-E708 CarbonylContact O-C 3.55Å; N449-E708 VanDerWaalsContact O-CA 3.29Å; N449-E708 WeakPolarHBondContact O-CA 3.42Å; M706-E708 PolarHBondContact O-N 3.06Å; E708-V712 HydrophobicContact CB-CG1 4.42Å; E708-V712 HydrophobicContact CG-CG1 4.49Å; E708-Q713 HydrophobicContact CG-CB 3.93Å; E708-Q713 WeakPolarHBondContact OE1-CA 3.1Å; E708-Q713 WeakPolarHBondContact OE1-CB 3.32Å; E708-Q713 VanDerWaalsContact OE1-CG 3.29Å; E708-Q713 WeakPolarHBondContact OE1-CG 3.47Å; E708-Q713 PolarHBondContact OE1-N 2.89Å; E708-R716 IonicContact OE1-CZ 4Å; E708-R716 IonicContact OE1-NE 3.28Å; E708-R716 IonicContact OE1-NH2 2.61Å; E708-R716 PolarHBondContact OE1-NH2 3.25Å; E708-R716 IonicContact OE2-NE 2.97Å
709S86.5Confident83.4Confident23 Ų2355 Ų5516%0.16131%0.309CS..PPolyproline II helixtrans-68.3150.6173.676.40000111.3E448 N449 G711 V712 Q713E448-S709 WeakPolarHBondContact O-CB 3.49Å; N449-S709 PolarHBondContact O-N 3.01Å; S709-G711 PolarHBondContact O-N 3.35Å; S709-G711 VanDerWaalsContact O-N 3.16Å; S709-V712 PolarHBondContact O-N 3.49Å; S709-V712 VanDerWaalsContact O-N 3.11Å; S709-V712 VanDerWaalsContact OG-CG2 3.31Å; S709-V712 WeakPolarHBondContact OG-CG2 3.43Å; S709-V712 PolarHBondContact OG-N 3.03Å; S709-Q713 PolarHBondContact O-N 2.88Å
710L82.7Confident83.5Confident113 Ų11354.4 Ų54.459%0.59230%0.301SS*.Hα-helixtrans-56.3-34.5177.2-174.567.2000112Q713 Q714L710-Q713 PolarHBondContact O-N 2.82Å; L710-Q714 HydrophobicContact CD1-CG 4.48Å; L710-Q714 HydrophobicContact CG-CG 4.4Å; L710-Q714 WeakPolarHBondContact O-CB 3.46Å; L710-Q714 WeakPolarHBondContact O-CG 3.39Å; L710-Q714 PolarHBondContact O-N 2.94Å
711G80.3Confident83.9Confident45 Ų4558.8 Ų58.846%0.46431%0.307SS..Hα-helixtrans-67.4-42.1177.700000113.1S709 Q713 K715S709-G711 PolarHBondContact O-N 3.35Å; S709-G711 VanDerWaalsContact O-N 3.16Å; G711-Q713 VanDerWaalsContact C-N 3.34Å; G711-K715 VanDerWaalsContact O-CB 3.31Å; G711-K715 WeakPolarHBondContact O-CB 3.42Å; G711-K715 PolarHBondContact O-N 2.97Å
712V82.2Confident83.9Confident41 Ų4155 Ų5525%0.24829%0.287CS..Hα-helixtrans-65.5-40.7174.91730000110.5N449 E708 S709 K715 R716N449-V712 HydrophobicContact CB-CG2 4.28Å; N449-V712 WeakPolarHBondContact OD1-CG2 3.42Å; E708-V712 HydrophobicContact CB-CG1 4.42Å; E708-V712 HydrophobicContact CG-CG1 4.49Å; S709-V712 PolarHBondContact O-N 3.49Å; S709-V712 VanDerWaalsContact O-N 3.11Å; S709-V712 VanDerWaalsContact OG-CG2 3.31Å; S709-V712 WeakPolarHBondContact OG-CG2 3.43Å; S709-V712 PolarHBondContact OG-N 3.03Å; V712-K715 PolarHBondContact O-N 3.49Å; V712-R716 WeakPolarHBondContact O-CB 3.48Å; V712-R716 PolarHBondContact O-N 3.26Å
713Q81.3Confident84Confident82 Ų8254.1 Ų54.138%0.38328%0.281SS..Hα-helixtrans-60.6-50.6176-173.2163.534.800112.8E708 S709 L710 G711 K715 R716 D717E708-Q713 HydrophobicContact CG-CB 3.93Å; E708-Q713 WeakPolarHBondContact OE1-CA 3.1Å; E708-Q713 WeakPolarHBondContact OE1-CB 3.32Å; E708-Q713 VanDerWaalsContact OE1-CG 3.29Å; E708-Q713 WeakPolarHBondContact OE1-CG 3.47Å; E708-Q713 PolarHBondContact OE1-N 2.89Å; S709-Q713 PolarHBondContact O-N 2.88Å; L710-Q713 PolarHBondContact O-N 2.82Å; G711-Q713 VanDerWaalsContact C-N 3.34Å; Q713-K715 VanDerWaalsContact C-N 3.35Å; Q713-K715 PolarHBondContact O-N 3.31Å; Q713-R716 PolarHBondContact O-N 3.35Å; Q713-D717 WeakPolarHBondContact O-CB 3.38Å; Q713-D717 VanDerWaalsContact O-CG 3.27Å; Q713-D717 PolarHBondContact O-N 3.04Å
714Q82.9Confident84.1Confident111 Ų11153.8 Ų53.852%0.51928%0.28SS..Hα-helixtrans-61.3-44.9178.3-75173.5-1100111.2L710 R716 D717 E718L710-Q714 HydrophobicContact CD1-CG 4.48Å; L710-Q714 HydrophobicContact CG-CG 4.4Å; L710-Q714 WeakPolarHBondContact O-CB 3.46Å; L710-Q714 WeakPolarHBondContact O-CG 3.39Å; L710-Q714 PolarHBondContact O-N 2.94Å; Q714-R716 VanDerWaalsContact C-N 3.34Å; Q714-R716 PolarHBondContact O-N 3.34Å; Q714-D717 PolarHBondContact O-N 2.94Å; Q714-E718 WeakPolarHBondContact O-CB 3.47Å; Q714-E718 PolarHBondContact O-N 3.01Å
715K81Confident83.9Confident123 Ų12351.7 Ų51.754%0.53527%0.265SS..Hα-helixtrans-59.6-44.7177.2-173.3-176.2178.3-168.30111.6G711 V712 Q713 M719G711-K715 VanDerWaalsContact O-CB 3.31Å; G711-K715 WeakPolarHBondContact O-CB 3.42Å; G711-K715 PolarHBondContact O-N 2.97Å; V712-K715 PolarHBondContact O-N 3.49Å; Q713-K715 VanDerWaalsContact C-N 3.35Å; Q713-K715 PolarHBondContact O-N 3.31Å; K715-M719 VanDerWaalsContact O-CB 3.27Å; K715-M719 WeakPolarHBondContact O-CB 3.39Å; K715-M719 PolarHBondContact O-N 3.3Å
716R84Confident83.7Confident31 Ų3151.6 Ų51.612%0.11727%0.265CS..Hα-helixtrans-61.5-50.9177.2-179.4172.857.153.815.1111.3Y315 E708 V712 Q713 Q714 E718 M719 V720Y315-R716 HydrophobicContact CD1-CB 4.37Å; Y315-R716 VanDerWaalsContact CD1-CD 3.5Å; Y315-R716 HydrophobicContact CD1-CG 3.62Å; Y315-R716 HydrophobicContact CD2-CB 4.39Å; Y315-R716 HydrophobicContact CD2-CG 3.82Å; Y315-R716 HydrophobicContact CE1-CB 4.44Å; Y315-R716 HydrophobicContact CE1-CG 4.17Å; Y315-R716 HydrophobicContact CE2-CB 4.46Å; Y315-R716 HydrophobicContact CE2-CG 4.34Å; Y315-R716 HydrophobicContact CG-CB 4.39Å; Y315-R716 HydrophobicContact CG-CG 3.47Å; Y315-R716 VanDerWaalsContact CG-CG 3.47Å; E708-R716 IonicContact OE1-CZ 4Å; E708-R716 IonicContact OE1-NE 3.28Å; E708-R716 IonicContact OE1-NH2 2.61Å; E708-R716 PolarHBondContact OE1-NH2 3.25Å; E708-R716 IonicContact OE2-NE 2.97Å; V712-R716 WeakPolarHBondContact O-CB 3.48Å; V712-R716 PolarHBondContact O-N 3.26Å; Q713-R716 PolarHBondContact O-N 3.35Å; Q714-R716 VanDerWaalsContact C-N 3.34Å; Q714-R716 PolarHBondContact O-N 3.34Å; R716-E718 VanDerWaalsContact C-N 3.35Å; R716-E718 PolarHBondContact O-N 2.82Å; R716-M719 PolarHBondContact O-N 3.39Å; R716-V720 VanDerWaalsContact O-CG2 3.31Å; R716-V720 WeakPolarHBondContact O-CG2 3.37Å; R716-V720 PolarHBondContact O-N 2.66Å
717D82.9Confident83.7Confident65 Ų6556.1 Ų56.135%0.34828%0.284SS..Hα-helixtrans-65.8-37.8-178-67.7-16000111.9Q713 Q714 R721Q713-D717 WeakPolarHBondContact O-CB 3.38Å; Q713-D717 VanDerWaalsContact O-CG 3.27Å; Q713-D717 PolarHBondContact O-N 3.04Å; Q714-D717 PolarHBondContact O-N 2.94Å; D717-R721 VanDerWaalsContact O-CB 3.29Å; D717-R721 WeakPolarHBondContact O-CB 3.45Å; D717-R721 PolarHBondContact O-N 3.35Å; D717-R721 VanDerWaalsContact O-N 3.09Å
718E82.5Confident83.6Confident93 Ų9359.2 Ų59.244%0.43529%0.294SS..Hα-helixtrans-64.5-46.4174.5-176.9177.5-176.100111.2V26 Q714 R716 V720 R721 V722V26-E718 HydrophobicContact CG2-CG 4Å; Q714-E718 WeakPolarHBondContact O-CB 3.47Å; Q714-E718 PolarHBondContact O-N 3.01Å; R716-E718 VanDerWaalsContact C-N 3.35Å; R716-E718 PolarHBondContact O-N 2.82Å; E718-V720 PolarHBondContact O-N 3.09Å; E718-R721 WeakPolarHBondContact O-CB 3.48Å; E718-R721 PolarHBondContact O-N 3.4Å; E718-V722 HydrophobicContact CG-CG2 4.42Å; E718-V722 WeakPolarHBondContact O-CG2 3.47Å; E718-V722 PolarHBondContact O-N 3.43Å
719M83.5Confident83.5Confident23 Ų2357.7 Ų57.711%0.11329%0.287CS..Hα-helixtrans-66.7-40-177.1-156.9175.486.500112.6M308 E311 V312 Y315 K715 R716 R721 V722 Y723M308-M719 HydrophobicContact CE-CG 3.42Å; M308-M719 VanDerWaalsContact CE-CG 3.42Å; E311-M719 HydrophobicContact CB-CE 3.44Å; E311-M719 VanDerWaalsContact CB-CE 3.44Å; E311-M719 VanDerWaalsContact CD-SD 3.54Å; E311-M719 HydrophobicContact CG-CE 3.46Å; E311-M719 VanDerWaalsContact CG-CE 3.46Å; E311-M719 HydrophobicContact CG-SD 4.32Å; V312-M719 HydrophobicContact CB-CE 4.47Å; V312-M719 HydrophobicContact CG2-CE 3.52Å; V312-M719 HydrophobicContact CG2-CG 4.19Å; Y315-M719 HydrophobicContact CD2-CE 3.42Å; Y315-M719 VanDerWaalsContact CD2-CE 3.42Å; Y315-M719 HydrophobicContact CE2-CE 3.24Å; Y315-M719 HydrophobicContact CE2-SD 4.03Å; K715-M719 VanDerWaalsContact O-CB 3.27Å; K715-M719 WeakPolarHBondContact O-CB 3.39Å; K715-M719 PolarHBondContact O-N 3.3Å; R716-M719 PolarHBondContact O-N 3.39Å; M719-R721 VanDerWaalsContact C-N 3.34Å; M719-V722 PolarHBondContact O-N 2.98Å; M719-Y723 WeakPolarHBondContact O-CB 3.43Å; M719-Y723 PolarHBondContact O-N 2.64Å
720V86Confident83.5Confident29 Ų2957.7 Ų57.718%0.17629%0.285CS..Hα-helixtrans-61-45.4172.4173.60000110.3V312 R716 E718 V722 Y723 D724V312-V720 HydrophobicContact CG1-CG2 4.26Å; R716-V720 VanDerWaalsContact O-CG2 3.31Å; R716-V720 WeakPolarHBondContact O-CG2 3.37Å; R716-V720 PolarHBondContact O-N 2.66Å; E718-V720 PolarHBondContact O-N 3.09Å; V720-V722 PolarHBondContact O-N 2.72Å; V720-Y723 PolarHBondContact O-N 2.79Å; V720-D724 PolarHBondContact O-N 3.18Å
721R82.6Confident83.7Confident127 Ų12756.6 Ų56.648%0.47928%0.28SS..Hα-helixtrans-62.5-43.6179.4-171.7-174.3-58.3158.36.7112.3L24 D717 E718 M719 A725L24-R721 HydrophobicContact CD2-CG 3.76Å; D717-R721 VanDerWaalsContact O-CB 3.29Å; D717-R721 WeakPolarHBondContact O-CB 3.45Å; D717-R721 PolarHBondContact O-N 3.35Å; D717-R721 VanDerWaalsContact O-N 3.09Å; E718-R721 WeakPolarHBondContact O-CB 3.48Å; E718-R721 PolarHBondContact O-N 3.4Å; M719-R721 VanDerWaalsContact C-N 3.34Å; R721-A725 WeakPolarHBondContact O-CB 3.37Å; R721-A725 PolarHBondContact O-N 2.92Å; R721-A725 VanDerWaalsContact O-N 3.09Å
722V83Confident83.8Confident15 Ų1554.7 Ų54.79%0.09126%0.259CS..Hα-helixtrans-63.8-44.3176.9168.90000111.1V26 L28 M308 E718 M719 V720 A725 M726V26-V722 HydrophobicContact CB-CG2 4.27Å; V26-V722 HydrophobicContact CG1-CG2 3.88Å; V26-V722 HydrophobicContact CG2-CG2 4.22Å; L28-V722 HydrophobicContact CD1-CG1 4.21Å; L28-V722 HydrophobicContact CD1-CG2 4.49Å; L28-V722 HydrophobicContact CD2-CG1 3.95Å; L28-V722 HydrophobicContact CG-CG1 4.37Å; M308-V722 HydrophobicContact CE-CB 4.08Å; M308-V722 HydrophobicContact CE-CG1 3.77Å; M308-V722 HydrophobicContact SD-CG1 4.14Å; E718-V722 HydrophobicContact CG-CG2 4.42Å; E718-V722 WeakPolarHBondContact O-CG2 3.47Å; E718-V722 PolarHBondContact O-N 3.43Å; M719-V722 PolarHBondContact O-N 2.98Å; V720-V722 PolarHBondContact O-N 2.72Å; V722-A725 PolarHBondContact O-N 3.45Å; V722-M726 HydrophobicContact CG1-CE 3.7Å; V722-M726 HydrophobicContact CG1-SD 4.4Å; V722-M726 WeakPolarHBondContact O-CG 3.31Å; V722-M726 PolarHBondContact O-N 3.47Å
723Y87Confident83.8Confident13 Ų1353 Ų535%0.05125%0.249CC..Hα-helixtrans-61.8-46.8177.3170.7-86.2000112.4M305 M308 E309 V312 M719 V720 A725 M726 K727M305-Y723 HydrophobicContact CG-CD2 3.85Å; M305-Y723 HydrophobicContact CG-CE2 3.64Å; M308-Y723 HydrophobicContact CB-CD2 4.45Å; E309-Y723 HydrophobicContact CB-CE2 3.85Å; E309-Y723 HydrophobicContact CG-CE2 4Å; E309-Y723 PolarHBondContact OE1-OH 3.05Å; V312-Y723 HydrophobicContact CB-CD2 4.35Å; V312-Y723 HydrophobicContact CB-CG 4.18Å; V312-Y723 HydrophobicContact CG1-CD1 3.75Å; V312-Y723 HydrophobicContact CG1-CD2 4.43Å; V312-Y723 HydrophobicContact CG1-CE1 4.28Å; V312-Y723 HydrophobicContact CG1-CG 3.85Å; V312-Y723 HydrophobicContact CG2-CD2 4.28Å; V312-Y723 HydrophobicContact CG2-CG 4.01Å; M719-Y723 WeakPolarHBondContact O-CB 3.43Å; M719-Y723 PolarHBondContact O-N 2.64Å; V720-Y723 PolarHBondContact O-N 2.79Å; Y723-A725 PolarHBondContact O-N 2.78Å; Y723-M726 PolarHBondContact O-N 3.45Å; Y723-K727 HydrophobicContact CE1-CD 4.41Å; Y723-K727 PolarHBondContact O-N 2.87Å
724D84.6Confident83.8Confident68 Ų6852.6 Ų52.636%0.36426%0.255SS..Hα-helixtrans-63.5-35.3179.9-72-25.1000111K316 V720 K727 E728K316-D724 IonicContact NZ-OD1 3.84Å; K316-D724 PolarHBondContact NZ-OD1 3.22Å; K316-D724 IonicContact NZ-OD2 3.38Å; V720-D724 PolarHBondContact O-N 3.18Å; D724-K727 WeakPolarHBondContact O-CB 3.48Å; D724-K727 PolarHBondContact O-N 2.81Å; D724-E728 PolarHBondContact O-N 3.36Å
725A82.2Confident83.4Confident2 Ų252.7 Ų52.72%0.01726%0.255CS..Hα-helixtrans-70.1-39.2174.500000114.2L24 R721 V722 Y723 K727 E728 A729L24-A725 HydrophobicContact CD1-CB 3.21Å; L24-A725 HydrophobicContact CD2-CB 3.49Å; L24-A725 VanDerWaalsContact CD2-CB 3.49Å; L24-A725 HydrophobicContact CG-CB 3.91Å; R721-A725 WeakPolarHBondContact O-CB 3.37Å; R721-A725 PolarHBondContact O-N 2.92Å; R721-A725 VanDerWaalsContact O-N 3.09Å; V722-A725 PolarHBondContact O-N 3.45Å; Y723-A725 PolarHBondContact O-N 2.78Å; A725-K727 PolarHBondContact O-N 2.81Å; A725-E728 PolarHBondContact O-N 3.26Å; A725-A729 VanDerWaalsContact O-CB 3.29Å; A725-A729 WeakPolarHBondContact O-CB 3.49Å; A725-A729 PolarHBondContact O-N 2.85Å
726M84.5Confident82.9Confident5 Ų547.7 Ų47.73%0.02524%0.235CC..Hα-helixtrans-60.6-38.1172.2-72.4-178179.700110.8L28 L301 Q304 M305 M308 V722 Y723 A729 L730L28-M726 HydrophobicContact CD2-CE 3.54Å; L301-M726 HydrophobicContact CD2-CG 4.21Å; Q304-M726 HydrophobicContact CB-CE 3.76Å; Q304-M726 HydrophobicContact CB-SD 3.87Å; M305-M726 HydrophobicContact CB-CB 4.16Å; M305-M726 HydrophobicContact CB-SD 4.19Å; M305-M726 HydrophobicContact CG-CB 4.37Å; M308-M726 HydrophobicContact SD-CE 3.98Å; M308-M726 HydrophobicContact SD-SD 4.03Å; V722-M726 HydrophobicContact CG1-CE 3.7Å; V722-M726 HydrophobicContact CG1-SD 4.4Å; V722-M726 WeakPolarHBondContact O-CG 3.31Å; V722-M726 PolarHBondContact O-N 3.47Å; Y723-M726 PolarHBondContact O-N 3.45Å; M726-A729 PolarHBondContact O-N 3.48Å; M726-L730 WeakPolarHBondContact O-CB 3.43Å; M726-L730 WeakPolarHBondContact O-CG 3.46Å; M726-L730 PolarHBondContact O-N 2.9Å
727K86.8Confident81.8Confident99 Ų9950.5 Ų50.543%0.4326%0.259SS..Hα-helixtrans-66.5-44.7176.1-168.6173.1-174.5167.10112M305 Y723 D724 A725 L730 N731M305-K727 HydrophobicContact SD-CB 4.36Å; Y723-K727 HydrophobicContact CE1-CD 4.41Å; Y723-K727 PolarHBondContact O-N 2.87Å; D724-K727 WeakPolarHBondContact O-CB 3.48Å; D724-K727 PolarHBondContact O-N 2.81Å; A725-K727 PolarHBondContact O-N 2.81Å; K727-L730 PolarHBondContact O-N 3.05Å; K727-N731 VanDerWaalsContact O-CG 3.24Å; K727-N731 PolarHBondContact O-N 2.95Å; K727-N731 PolarHBondContact O-ND2 2.93Å
728E84.4Confident80.8Confident104 Ų10450.5 Ų50.549%0.48626%0.258SS..Hα-helixtrans-60.4-45.1173.3-174.3177.5-178.200111.6D724 A725 L730 N731 I732D724-E728 PolarHBondContact O-N 3.36Å; A725-E728 PolarHBondContact O-N 3.26Å; E728-L730 PolarHBondContact O-N 2.86Å; E728-N731 WeakPolarHBondContact O-CB 3.46Å; E728-N731 PolarHBondContact O-N 3.37Å; E728-I732 HydrophobicContact CG-CD1 4.14Å; E728-I732 WeakPolarHBondContact O-CG1 3.31Å; E728-I732 PolarHBondContact O-N 3.12Å
729A83.6Confident79.6Confident0 Ų051 Ų510%027%0.272CS..Hα-helixtrans-60.4-44.3176.600000112.5L17 F21 L301 A725 M726 N731 I732 I733L17-A729 HydrophobicContact CD2-CB 3.59Å; L17-A729 WeakPolarHBondContact CD2-O 3.24Å; F21-A729 HydrophobicContact CE1-CB 4.08Å; F21-A729 HydrophobicContact CE2-CB 3.99Å; F21-A729 HydrophobicContact CZ-CB 3.32Å; L301-A729 HydrophobicContact CD1-CB 4.22Å; A725-A729 VanDerWaalsContact O-CB 3.29Å; A725-A729 WeakPolarHBondContact O-CB 3.49Å; A725-A729 PolarHBondContact O-N 2.85Å; M726-A729 PolarHBondContact O-N 3.48Å; A729-N731 VanDerWaalsContact C-N 3.31Å; A729-N731 PolarHBondContact O-N 3.09Å; A729-I732 PolarHBondContact O-N 2.95Å; A729-I733 VanDerWaalsContact O-CG1 3.27Å; A729-I733 WeakPolarHBondContact O-CG1 3.26Å; A729-I733 PolarHBondContact O-N 3.16Å
730L86.4Confident78.4Confident23 Ų2351 Ų5112%0.1227%0.273CS..Hα-helixtrans-63.6-37.6175.1-76.8167.7000112.3R298 L301 Q302 M305 M726 K727 E728 I733 S734R298-L730 HydrophobicContact CG-CD2 3.95Å; L301-L730 HydrophobicContact CB-CD2 4.04Å; L301-L730 HydrophobicContact CB-CG 4.25Å; Q302-L730 HydrophobicContact CB-CD1 4.33Å; Q302-L730 HydrophobicContact CB-CD2 4.18Å; M305-L730 HydrophobicContact CB-CD1 4.37Å; M305-L730 HydrophobicContact CE-CD1 4.11Å; M305-L730 HydrophobicContact SD-CD1 3.53Å; M305-L730 VanDerWaalsContact SD-CD1 3.53Å; M726-L730 WeakPolarHBondContact O-CB 3.43Å; M726-L730 WeakPolarHBondContact O-CG 3.46Å; M726-L730 PolarHBondContact O-N 2.9Å; K727-L730 PolarHBondContact O-N 3.05Å; E728-L730 PolarHBondContact O-N 2.86Å; L730-I733 PolarHBondContact O-N 2.95Å; L730-S734 WeakPolarHBondContact O-CB 3.33Å; L730-S734 PolarHBondContact O-N 3.46Å
731N86.3Confident77Confident90 Ų9055 Ų5548%0.48130%0.297SS..Hα-helixtrans-62.3-48.3173.3-70.4-21000110.7K727 E728 A729 I733 S734 E735K727-N731 VanDerWaalsContact O-CG 3.24Å; K727-N731 PolarHBondContact O-N 2.95Å; K727-N731 PolarHBondContact O-ND2 2.93Å; E728-N731 WeakPolarHBondContact O-CB 3.46Å; E728-N731 PolarHBondContact O-N 3.37Å; A729-N731 VanDerWaalsContact C-N 3.31Å; A729-N731 PolarHBondContact O-N 3.09Å; N731-I733 VanDerWaalsContact C-N 3.31Å; N731-I733 PolarHBondContact O-N 3.21Å; N731-S734 WeakPolarHBondContact O-CB 3.37Å; N731-S734 PolarHBondContact O-N 2.66Å; N731-S734 PolarHBondContact O-OG 2.93Å; N731-E735 PolarHBondContact O-N 2.69Å
732I81.8Confident76Confident5 Ų551.8 Ų51.83%0.02630%0.295CS..Hα-helixtrans-55.4-46.5175.7-67.4162.9000110.7L13 R16 L17 A20 E728 A729 S734 E735L13-I732 HydrophobicContact CD1-CG2 4.2Å; L13-I732 WeakPolarHBondContact CD1-O 3.49Å; L13-I732 HydrophobicContact CG-CG2 3.94Å; R16-I732 HydrophobicContact CB-CD1 4.16Å; R16-I732 HydrophobicContact CB-CG2 4.03Å; L17-I732 HydrophobicContact CD2-CB 4.01Å; L17-I732 HydrophobicContact CD2-CD1 4.23Å; L17-I732 HydrophobicContact CD2-CG2 3.97Å; L17-I732 HydrophobicContact CG-CG2 4.06Å; A20-I732 HydrophobicContact CB-CD1 4.32Å; E728-I732 HydrophobicContact CG-CD1 4.14Å; E728-I732 WeakPolarHBondContact O-CG1 3.31Å; E728-I732 PolarHBondContact O-N 3.12Å; A729-I732 PolarHBondContact O-N 2.95Å; I732-S734 VanDerWaalsContact C-N 3.27Å; I732-S734 PolarHBondContact O-N 2.84Å; I732-E735 PolarHBondContact O-N 2.8Å
733I82Confident74.9Confident5 Ų554.2 Ų54.23%0.02631%0.309CS..Hα-helixtrans-61.3-36.3178.4-67.2169.2000111.6L17 L294 R298 L301 A729 L730 N731 E735L17-I733 HydrophobicContact CD1-CD1 4.21Å; L17-I733 HydrophobicContact CD1-CG1 3.91Å; L17-I733 HydrophobicContact CD2-CD1 4.42Å; L17-I733 HydrophobicContact CD2-CG1 4.14Å; L294-I733 HydrophobicContact CD1-CD1 4.27Å; L294-I733 HydrophobicContact CD1-CG1 4.09Å; L294-I733 HydrophobicContact CD1-CG2 4.49Å; L294-I733 HydrophobicContact CG-CG2 4.42Å; R298-I733 HydrophobicContact CB-CD1 4.45Å; R298-I733 HydrophobicContact CB-CG2 4.13Å; R298-I733 HydrophobicContact CG-CG2 4.06Å; L301-I733 HydrophobicContact CD1-CD1 3.68Å; A729-I733 VanDerWaalsContact O-CG1 3.27Å; A729-I733 WeakPolarHBondContact O-CG1 3.26Å; A729-I733 PolarHBondContact O-N 3.16Å; L730-I733 PolarHBondContact O-N 2.95Å; N731-I733 VanDerWaalsContact C-N 3.31Å; N731-I733 PolarHBondContact O-N 3.21Å; I733-E735 VanDerWaalsContact C-N 3.28Å; I733-E735 PolarHBondContact O-N 2.86Å
734S81.5Confident73.5Confident74 Ų7459.3 Ų59.352%0.51734%0.344SS..Hα-helixtrans-71-19.6-178.577.10000114.3L730 N731 I732 V736L730-S734 WeakPolarHBondContact O-CB 3.33Å; L730-S734 PolarHBondContact O-N 3.46Å; N731-S734 WeakPolarHBondContact O-CB 3.37Å; N731-S734 PolarHBondContact O-N 2.66Å; N731-S734 PolarHBondContact O-OG 2.93Å; I732-S734 VanDerWaalsContact C-N 3.27Å; I732-S734 PolarHBondContact O-N 2.84Å; S734-V736 VanDerWaalsContact C-N 3.32Å; S734-V736 PolarHBondContact O-N 3.21Å
735E75.3Confident72.4Confident112 Ų11258.4 Ų58.452%0.52334%0.339SS..THydrogen-bonded Turntrans-72.6-20.2-177.4-69.5175.7-15500113.6R16 N731 I732 I733R16-E735 IonicContact CZ-OE1 2.89Å; R16-E735 IonicContact CZ-OE2 2.75Å; R16-E735 IonicContact NH1-OE1 3.74Å; R16-E735 IonicContact NH1-OE2 3.69Å; R16-E735 PolarHBondContact NH1-OE2 3.3Å; R16-E735 IonicContact NH2-OE1 2.93Å; R16-E735 PolarHBondContact NH2-OE1 3.37Å; R16-E735 IonicContact NH2-OE2 3.21Å; R16-E735 PolarHBondContact NH2-OE2 3.47Å; N731-E735 PolarHBondContact O-N 2.69Å; I732-E735 PolarHBondContact O-N 2.8Å; I733-E735 VanDerWaalsContact C-N 3.28Å; I733-E735 PolarHBondContact O-N 2.86Å
736V69.3Low71.3Confident19 Ų1961.6 Ų61.612%0.11536%0.359CS..SBendtrans-113.6121.7-175.2-179.80000111.8Q9 L10 L13 S734 M738Q9-V736 HydrophobicContact CB-CG1 4.41Å; Q9-V736 HydrophobicContact CB-CG2 4.27Å; L10-V736 HydrophobicContact CD2-CG1 4.03Å; L13-V736 HydrophobicContact CB-CG2 4.4Å; L13-V736 HydrophobicContact CD1-CB 3.69Å; L13-V736 HydrophobicContact CD1-CG2 3.33Å; S734-V736 VanDerWaalsContact C-N 3.32Å; S734-V736 PolarHBondContact O-N 3.21Å; V736-M738 PolarHBondContact O-N 3.33Å
737S62.2Low70Confident89 Ų8966.3 Ų66.362%0.62239%0.39SS*.  trans-69.2121.4174.1-64.20000111.8S739S737-S739 PolarHBondContact O-N 3.36Å
738M61.9Low68.7Low65 Ų6565.8 Ų65.832%0.3240%0.397SS..  trans-75.23.3179.7-68.6-179.3154.800115R291 L294 P295 V736 T740R291-M738 PolarHBondContact NH2-O 2.97Å; L294-M738 HydrophobicContact CB-CE 3.5Å; L294-M738 HydrophobicContact CD2-CE 3.35Å; L294-M738 HydrophobicContact CG-CE 3.27Å; P295-M738 HydrophobicContact CG-CE 3.9Å; P295-M738 HydrophobicContact CG-SD 3.85Å; V736-M738 PolarHBondContact O-N 3.33Å; M738-T740 PolarHBondContact O-N 3.4Å
739S56.6Low67.6Low103 Ų10363.3 Ų63.372%0.7239%0.389SS*.  trans-78.183.9177.758.20000111S737S737-S739 PolarHBondContact O-N 3.36Å
740T58.9Low66.1Low24 Ų2468.4 Ų68.415%0.14742%0.416CS..  trans-136.7160.217349.30000111.8N4 M7 R291 M738N4-T740 HydrophobicContact CB-CG2 3.96Å; N4-T740 WeakPolarHBondContact OD1-CB 3.2Å; M7-T740 HydrophobicContact CG-CG2 4.03Å; M7-T740 WeakPolarHBondContact CG-OG1 3.48Å; R291-T740 PolarHBondContact NH1-OG1 3.09Å; R291-T740 VanDerWaalsContact NH2-CB 3.34Å; R291-T740 PolarHBondContact NH2-O 2.82Å; R291-T740 PolarHBondContact NH2-OG1 3.19Å; M738-T740 PolarHBondContact O-N 3.4Å
741V56.6Low64.7Low112 Ų11270.1 Ų70.168%0.67943%0.426SS*.PPolyproline II helixtrans-96.3121.1-175.4179.40000110.2N4 M7N4-V741 PolarHBondContact ND2-N 3.28Å; N4-V741 PolarHBondContact ND2-O 3.19Å; N4-V741 PolarHBondContact OD1-N 3.41Å; M7-V741 WeakPolarHBondContact CE-O 3.36Å
742S60.7Low63.1Low61 Ų6170 Ų7043%0.42743%0.425SS..PPolyproline II helixtrans-93163.5179.866.10000113.1
743T61.1Low62Low65 Ų6575.4 Ų75.440%0.39945%0.445SS..PPolyproline II helixtrans-96.6129163.350.70000108.8Q284 N288 I745Q284-T743 PolarHBondContact NE2-OG1 3.39Å; N288-T743 PolarHBondContact ND2-OG1 3.09Å; T743-I745 PolarHBondContact O-N 3.46Å
744P57Low60.4Low121 Ų12180.5 Ų80.579%0.78647%0.472SS*.PPolyproline II helixtrans-61.5137.1179.123.8-31.6000111.2
745I62.1Low58.8Low48 Ų4883.6 Ų83.625%0.24648%0.482CS..PPolyproline II helixtrans-66.7142.3170.2-57.3173.7000107.9R229 T743R229-I745 HydrophobicContact CG-CG2 4.4Å; T743-I745 PolarHBondContact O-N 3.46Å
746P58Low57.1Low69 Ų6982.1 Ų82.145%0.44848%0.484SS..PPolyproline II helixtrans-51.8152.8171.5-24.933.1000112.5R229R229-P746 PolarHBondContact NE-O 2.96Å; R229-P746 PolarHBondContact NH2-O 2.66Å
747P58Low55.6Low104 Ų10488.6 Ų88.668%0.67552%0.518SS*.PPolyproline II helixtrans-58.7158176.124.1-32.6000111.9
748P58.4Low54.3Low89 Ų8992 Ų9258%0.57853%0.528SS*.PPolyproline II helixtrans-55143.6176.9-19.630.4000111.5
749V61.2Low53.1Low52 Ų5294.8 Ų94.832%0.31555%0.551SS.*PPolyproline II helixtrans-84.3127.9171.6-164.20000108.3P227 R229P227-V749 HydrophobicContact CB-CB 4.09Å; P227-V749 HydrophobicContact CB-CG1 3.29Å; P227-V749 HydrophobicContact CB-CG2 4.33Å; P227-V749 HydrophobicContact CG-CG1 4.09Å; R229-V749 HydrophobicContact CB-CG2 4.4Å
750N53.4Low51.9Low107 Ų10793.9 Ų93.957%0.57256%0.557SS**PPolyproline II helixtrans-93.1126.7-177.6-154.48.8000109.5D752N750-D752 PolarHBondContact ND2-OD2 2.99Å; N750-D752 PolarHBondContact O-N 3.19Å
751D55.5Low50.4Low59 Ų5996.1 Ų96.132%0.31659%0.585SS.*G310 helixtrans-76.55.3-179.7-81.9-20.1000112.4K192 W753 L754K192-D751 IonicContact NZ-OD2 3.66Å; K192-D751 PolarHBondContact NZ-OD2 2.75Å; K192-D751 VanDerWaalsContact NZ-OD2 3.08Å; D751-W753 PolarHBondContact O-N 2.98Å; D751-L754 HydrophobicContact CB-CD1 4.36Å; D751-L754 WeakPolarHBondContact O-CB 3.39Å; D751-L754 PolarHBondContact O-N 2.75Å
752D53.7Low49.1Very low88 Ų8898.6 Ų98.647%0.47159%0.593SS.*G310 helixtrans-55-21.8-177.1-83.4-14.4000114.7N750 L754 L755 S756N750-D752 PolarHBondContact ND2-OD2 2.99Å; N750-D752 PolarHBondContact O-N 3.19Å; D752-L754 VanDerWaalsContact C-N 3.32Å; D752-L754 PolarHBondContact O-N 3.24Å; D752-L755 PolarHBondContact O-N 3.06Å; D752-S756 PolarHBondContact O-N 3.08Å; D752-S756 PolarHBondContact O-OG 2.7Å
753W57.7Low47.5Very low118 Ų118102.1 Ų102.145%0.44761%0.612SS.*G310 helixtrans-69.9-27.5175.470.5-87.6000112.8L225 P227 D751 L755 S756L225-W753 WeakPolarHBondContact O-CH2 3.41Å; L225-W753 WeakPolarHBondContact O-CZ2 3.11Å; P227-W753 HydrophobicContact CG-CZ2 4.31Å; D751-W753 PolarHBondContact O-N 2.98Å; W753-L755 PolarHBondContact O-N 3.37Å; W753-S756 PolarHBondContact O-N 2.84Å
754L49.8Very low45.9Very low112 Ų112103.8 Ų103.859%0.58663%0.633SS**G310 helixtrans-69.5-24174.4-73.2167.7000112.5D751 D752 S756D751-L754 HydrophobicContact CB-CD1 4.36Å; D751-L754 WeakPolarHBondContact O-CB 3.39Å; D751-L754 PolarHBondContact O-N 2.75Å; D752-L754 VanDerWaalsContact C-N 3.32Å; D752-L754 PolarHBondContact O-N 3.24Å; L754-S756 VanDerWaalsContact C-N 3.35Å
755L46.7Very low44.5Very low138 Ų138104.1 Ų104.172%0.72364%0.635SS**G310 helixtrans-85.5-12.5176.8-72160000112.3D752 W753 D757D752-L755 PolarHBondContact O-N 3.06Å; W753-L755 PolarHBondContact O-N 3.37Å; L755-D757 PolarHBondContact O-N 3.37Å
756S40.6Very low42.9Very low82 Ų82105.8 Ų105.857%0.57366%0.664SS**  trans-95.453.2-171.1-58.30000112.3D752 W753 L754D752-S756 PolarHBondContact O-N 3.08Å; D752-S756 PolarHBondContact O-OG 2.7Å; W753-S756 PolarHBondContact O-N 2.84Å; L754-S756 VanDerWaalsContact C-N 3.35Å
757D38.2Very low41.6Very low154 Ų154108.3 Ų108.382%0.82468%0.683SS**  trans-149.346166.5-102.5-17.9000111.9L755L755-D757 PolarHBondContact O-N 3.37Å
758I34.7Very low40.3Very low162 Ų162110 Ų11083%0.83169%0.692SS**  trans-141.689.5158.5-49.4177.6000108.5
759P35.6Very low39Very low123 Ų123109.5 Ų109.580%0.79970%0.703SS**  -144.9133.6122.724.1-3.5000113.8
760G32Very low37.3Very low84 Ų84113.4 Ų113.487%0.86673%0.727SS**  trans-65151.1172.600000113.6
761G27.9Very low36.1Very low70 Ų70116.3 Ų116.372%0.72274%0.742SS**  trans139.680.2163.800000116.1
762L28.8Very low34.9Very low164 Ų164118.5 Ų118.586%0.85976%0.759SS**  trans66.5127.2141-64172.5000121.7
763T27.4Very low33.8Very low135 Ų135120 Ų12083%0.82877%0.774SS**  trans88.4105145.9570000120.2
764A26.7Very low32.5Very low100 Ų100120.5 Ų120.583%0.82679%0.792SS**  trans-81.2158.1162.900000112.5
765P28.3Very low31.5Very low129 Ų129120.4 Ų120.484%0.83880%0.801SS**  trans-112.1126.9156.431.3-17.1000112.6
766G28.1Very low31.1Very low82 Ų82119.2 Ų119.285%0.84580%0.802SS**  trans87.397.6144.600000119.6
767S31.8Very low30.8Very low122 Ų122122 Ų12285%0.85382%0.815SS**  -169.3134.6123.8-172.80000110.8
768T29.8Very low30.6Very low139 Ų139118.8 Ų118.885%0.85381%0.81SS**  trans-79.8140.4-172.245.80000113.2
769G30.8Very low30.4Very low80 Ų80118.4 Ų118.483%0.82581%0.81SS**  trans164.960168.800000115.2
770T26.5Very low30.3Very low133 Ų133124.3 Ų124.382%0.81682%0.816SS**  trans-66132.5164.845.40000111.1
771L28.5Very low30Very low169 Ų169131.6 Ų131.689%0.88582%0.818SS**  -176.9148.8122.2-89.5170.9000109.6
772P29.5Very low30.4Very low104 Ų104134 Ų13468%0.67582%0.82SS**  trans-109.1158.7-138.439.7-33.1000114.1
773P31.5Very low30.5Very low119 Ų119131.6 Ų131.677%0.77382%0.815SS**  trans-88.1148.4168.433.2-29.8000111.9
774P29.5Very low30.9Very low129 Ų129129.5 Ų129.584%0.83881%0.811SS**  trans-75.4149.5173.132.6-32.1000111
775S28Very low31.7Very low111 Ų111130.4 Ų130.478%0.77681%0.809SS**  trans-91.3-173.2172.943.80000110.3
776P38.5Very low32.1Very low113 Ų113129.8 Ų129.873%0.73481%0.805SS**  -130.7154.1-66.136.5-22.3000112.4
777T35.4Very low33.3Very low140 Ų140131 Ų13186%0.85980%0.798SS**  trans-146.494.6157.1470000107.4
778A32.8Very low33.5Very low87 Ų87131.1 Ų131.172%0.71980%0.795SS**  65.6108.979.400000114.4
779N31.4Very low33.3Very low154 Ų154128.3 Ų128.382%0.82479%0.794SS**  trans68.6107.6146.4-66.4-6.2000119.8
780R34Very low33.2Very low247 Ų247127.5 Ų127.593%0.93279%0.786SS**  -167.998.5117.5-99.7161-168-121.34.3111.2
781R24Very low33.1Very low237 Ų237133.6 Ų133.689%0.89479%0.794SS**  trans-77.7149.8147.8-101.8-178.9173.7-168-1.9108.1
782P37.9Very low32.9Very low119 Ų119130.4 Ų130.477%0.77379%0.786SS**  -127.1163.4121.929.9-17000112.3
783P29.6Very low32.7Very low115 Ų115130.1 Ų130.175%0.74779%0.787SS**  trans-107.3172.7-161.137.2-24.7000114.2
784A36.5Very low32.2Very low90 Ų90129.9 Ų129.974%0.74478%0.783SS**  trans-68.1162.1170.300000113.7
785P43.3Very low32.3Very low120 Ų120131.3 Ų131.378%0.77978%0.783SS**  -139.7172127.825-3.5000114.2
786P37.8Very low31.9Very low116 Ų116130.3 Ų130.375%0.75378%0.776SS**  trans-126.7-126.5-141.427.20000113.3
787P52.3Low31.3Very low108 Ų108131.5 Ų131.570%0.70178%0.782SS**  -111.9-162.2-114.443.9-23.8000110.4
788P36.4Very low30.7Very low123 Ų123128.7 Ų128.780%0.79978%0.781SS**  -144.4168.963.225.70.4000112.4
789G25.3Very low30.7Very low81 Ų81130.4 Ų130.484%0.83579%0.788SS**  cis104113.828.900000110.2
790G28Very low30.3Very low63 Ų63130.6 Ų130.665%0.64979%0.787SS**  trans148.194.2170.200000111.4
791W24.9Very low29.8Very low260 Ų260128.4 Ų128.499%0.98578%0.784SS**  71.3130.787.8-68.41.8000111.5
792S24.8Very low29.7Very low103 Ų103120.5 Ų120.572%0.7278%0.776SS**  cis-179160.810.248.80000108.7
793S24.3Very low29.2Very low98 Ų98121.1 Ų121.169%0.68578%0.783SS**  trans66.6103.8140.3-92.60000119.4
794T22.5Very low29Very low113 Ų113120 Ų12069%0.69378%0.784SS**  68.3114.787.763.50000113.8
795N29.8Very low29Very low159 Ų159121.6 Ų121.685%0.8579%0.787SS**  -161.8112.9118.2-100.3-11.3000112.3
796S21.2Very low28.2Very low90 Ų90128 Ų12863%0.62980%0.795SS**  trans-58.1147.2147.649.30000112
797T24.8Very low27.4Very low138 Ų138130.8 Ų130.885%0.84780%0.798SS**  162.9142.6106.734.40000111.3
798G23.5Very low26.1Very low82 Ų82131.8 Ų131.885%0.84580%0.802SS**  trans-76.9179.4-179.900000114.9
799S31.3Very low25.6Very low122 Ų122131.7 Ų131.785%0.85380%0.802SS**  trans-138127.1174.5-175.30000110
800I24.6Very low25.5Very low158 Ų158133.1 Ų133.181%0.8180%0.799SS**  trans-118.9128.4171.6-72.7177.1000108
801K22.3Very low25.5Very low202 Ų202136.8 Ų136.888%0.87881%0.808SS**  trans31.2124.2148.6-62.7-178.6175.6-179.80121.5
802G22.2Very low25.6Very low70 Ų70130 Ų13072%0.72280%0.798SS**  101.7124.8113.200000118.4
803S26.8Very low25.4Very low132 Ų132129.8 Ų129.892%0.92380%0.802SS**  trans171.6141133.9-750000112.1
804A26.1Very low25.6Very low93 Ų93135.2 Ų135.277%0.76981%0.814SS**  trans-102.6-164.717500000110.3
805P37.5Very low25.7Very low123 Ų123135.8 Ų135.880%0.79982%0.817SS**  cis-124.7175.6-49.728.7-9.6000112.1
806R25.1Very low25.4Very low253 Ų253133.7 Ų133.796%0.95582%0.815SS**  trans-141.1135.3162.3-118.7-179.3-176.5-1600.8111.8
807Q21.3Very low25.9Very low175 Ų175135.1 Ų135.182%0.81883%0.825SS**  trans-121.3161.9-176.5-113.9-17414.100111
808V24.6Very low26Very low129 Ų129132.4 Ų132.478%0.78283%0.825SS**  trans72.3151161.3-65.80000119.6
809P27.6Very low26Very low121 Ų121137.7 Ų137.779%0.78683%0.827SS**  cis-137.5168.216.639.7-19.7000118.4
810S21.8Very low25.8Very low112 Ų112140 Ų14078%0.78383%0.829SS**  trans-106.6142175.543.90000112.9
811V27.9Very low26Very low139 Ų139137.9 Ų137.984%0.84283%0.826SS**  trans-155.1161.9166-133.60000110
812P27.8Very low26.2Very low119 Ų119134 Ų13477%0.77382%0.823SS**  -124.9169.7-106.637.8-18.1000115.7
813A21.1Very low26.4Very low98 Ų98136.5 Ų136.581%0.8183%0.827SS**  trans-66.6144.6174.200000113.8
814K27.5Very low26.3Very low211 Ų211138.5 Ų138.592%0.91783%0.827SS**  trans-123.9149.3162-91.5-174.9177.3179.70110.4
815T25.1Very low26.3Very low126 Ų126141.4 Ų141.477%0.77383%0.828SS**  trans-95.4151.7-153.449.10000114.5
816S23Very low25.8Very low115 Ų115141.3 Ų141.380%0.80483%0.827SS**  trans-2.413215358.40000120.5
817S31.2Very low25.7Very low120 Ų120138.4 Ų138.484%0.83982%0.824SS**  trans-148.8114.9148.358.70000111.5
818G28.4Very low25.9Very low81 Ų81141.6 Ų141.684%0.83583%0.829SS**  trans76.3103.9130.700000119.8
819Q22.6Very low26Very low193 Ų193143.5 Ų143.590%0.90283%0.834SS**  trans-61.8141.5157-68.9158.4-6200112
820L27.9Very low25.9Very low170 Ų170148.5 Ų148.589%0.8984%0.839SS**  trans-142.5136.4144.8-86.6171.5000109
821P27.4Very low26.3Very low114 Ų114149.1 Ų149.174%0.7484%0.84SS**  trans-96.6160.5-174.637.6-32.5000112.4
822S27.9Very low26.2Very low119 Ų119146.4 Ų146.483%0.83283%0.832SS**  trans-155.2157.9172.8-66.30000109.6
823P25.1Very low26Very low123 Ų123147.7 Ų147.780%0.79983%0.833SS**  -118.8172.1-88.116.86.6000113.4
824L25.5Very low26.2Very low174 Ų174150.7 Ų150.791%0.91183%0.832SS**PPolyproline II helixtrans-62137.1-177.5-86.797.7000114.9
825I26.6Very low26.1Very low154 Ų154149.2 Ų149.279%0.7983%0.826SS**PPolyproline II helixtrans-80.8130.5171.7-63.1166.6000110.2
826P26.9Very low26.7Very low122 Ų122148.3 Ų148.379%0.79282%0.822SS**PPolyproline II helixtrans-76.5125172.9-12.428.3000112.3
827Q22.9Very low26.6Very low191 Ų191148.7 Ų148.789%0.89382%0.819SS**PPolyproline II helixtrans-71.7132.7170.2-68.1176.9-34.600110.9
828R25.1Very low26.3Very low242 Ų242149.4 Ų149.491%0.91382%0.818SS**  trans-125.5131.5158.1-105.1-174.4-176.31782110.6
829L27.4Very low25.8Very low170 Ų170154.3 Ų154.389%0.8982%0.817SS**PPolyproline II helixtrans-74.6140.1-168.8-71141.1000112.5
830Y24.3Very low26Very low225 Ų225152 Ų15288%0.88281%0.81SS**PPolyproline II helixtrans-74.2143.8165.9-68.6-90000111.3
831P30.5Very low25.8Very low126 Ų126148.2 Ų148.282%0.81880%0.798SS**PPolyproline II helixtrans-92.9132.1149.88.910.4000110.2
832A25Very low25.9Very low82 Ų82150.6 Ų150.668%0.67881%0.805SS**PPolyproline II helixtrans-83.5157.6175.800000112.5
833D25.3Very low25.7Very low145 Ų145149.9 Ų149.978%0.77580%0.8SS**  trans71.2114.2154.7-59.3-30.9000120.3
834M25.4Very low25.8Very low161 Ų161150 Ų15079%0.79380%0.8SS**  162.5112.8105.7-81.8-162.973.700113.5
835F24.9Very low25.7Very low181 Ų181144.9 Ų144.979%0.79479%0.79SS**  62.1159.6126.2-72.6-66000123.2
836P36.8Very low25.7Very low106 Ų106145.7 Ų145.769%0.68879%0.794SS**  -119.1174.9-117.845.5-38.7000117.3
837V20.6Very low25.4Very low124 Ų124147 Ų14775%0.75279%0.793SS**  trans32.9115.2147.2-177.50000118.7
838V24.9Very low25.6Very low134 Ų134145.4 Ų145.481%0.81279%0.79SS**  trans-128.1119.7146.9177.40000108.5
839K19.3Very low25.5Very low185 Ų185138 Ų13880%0.80478%0.776SS**  trans-80.6131.6160.5-78.4176.4172.4177.10107.3
840D26.6Very low25.3Very low144 Ų144138 Ų13877%0.7777%0.773SS**  trans-148.5124.4148.9-114.3-32000114
841S23.6Very low25.6Very low91 Ų91134.2 Ų134.264%0.63677%0.774SS**  trans9.8120.8142.554.50000120.8
842N28.6Very low25.2Very low164 Ų164132.6 Ų132.688%0.87777%0.765SS**  -169.1122.4116.5-102.2-23.4000112.9
843S23.9Very low25.4Very low104 Ų104138 Ų13873%0.72777%0.774SS**  trans-75.9165.8164.159.90000110.9
844P28.1Very low25.6Very low124 Ų124136.3 Ų136.381%0.80577%0.771SS**  -149.8147.369.435.5-14.2000117.5
845G23Very low25.6Very low67 Ų67137 Ų13769%0.69178%0.777SS**  trans55.6123.8132.300000121.5
846I26.9Very low25.8Very low172 Ų172134.9 Ų134.988%0.88278%0.778SS**  -157.3127117.9-89.1145.9000108
847I20.8Very low25.4Very low149 Ų149135 Ų13576%0.76478%0.779SS**  trans-86.9137.3175.1-68.3164.8000107.8
848N26.7Very low26.1Very low157 Ų157135.1 Ų135.184%0.8478%0.783SS**  trans-151.8129.1140.8-103.3-19.2000112.2
849S22.7Very low26.4Very low88 Ų88134.1 Ų134.162%0.61578%0.781SS**  trans-66.1152-179.252.60000114.2
850M23.8Very low26.8Very low168 Ų168133 Ų13383%0.82878%0.783SS**  167.6113.4112.9-89.6-166.3-175.700111.1
851T29.6Very low26.8Very low147 Ų147131.8 Ų131.890%0.90278%0.783SS**  159.7111.7122.745.10000110.2
852S23.2Very low27.2Very low91 Ų91131.6 Ų131.664%0.63679%0.786SS**  trans-88.3161.3175.6490000111.7
853F28.9Very low27Very low195 Ų195135.4 Ų135.486%0.85579%0.789SS**  trans137.8144.8145.5-75-62.7000112.5
854P29.5Very low27.5Very low111 Ų111146 Ų14672%0.72181%0.813SS**  -125.4157.6-80.130.6-11.7000113.5
855L25Very low27.5Very low174 Ų174147.2 Ų147.291%0.91181%0.813SS**  trans-62.5126.9166.8-81.5135.4000111.3
856V29.6Very low27.8Very low137 Ų137151.4 Ų151.483%0.8382%0.82SS**  trans-90123.5163177.30000108.3
857P27.6Very low27.8Very low109 Ų109150.2 Ų150.271%0.70882%0.816SS**  trans-98.1-176.2179.445.7-38.9000110
858P35.6Very low28.2Very low126 Ų126150.3 Ų150.382%0.81882%0.819SS**  -109.6161.3-11926.2-4.3000114
859S30.5Very low28.3Very low113 Ų113149.9 Ų149.979%0.7982%0.818SS**  trans-106.4109.9171.550.30000111.3
860I29.7Very low28.7Very low163 Ų163154 Ų15484%0.83683%0.831SS**  trans-131126.7151.2-60.2177.3000106.9
861P26.6Very low29Very low117 Ų117153 Ų15376%0.7683%0.832SS**  trans-141.3139.1136.133-16.5000115.1
862A30.5Very low29Very low87 Ų87153.5 Ų153.572%0.71983%0.826SS**  85.5112.4129.900000122.2
863R25Very low29.5Very low245 Ų245158.7 Ų158.793%0.92584%0.842SS**  56.3109.3128.6-76.5-177.6170.6178.8-2.6119.3
864R35.3Very low29.5Very low327 Ų327155.4 Ų155.4100%1.23484%0.841SS**  -152.8096.6-112.8-176.3-173.5-175.22.7110.7

Retrieved 864 of 864 residues in 209.9 ms (Link to these results)

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