A0A077ZLH1_TRITR Loading...

DUF4176 and LXG domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZLH1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 733 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
1M50.7Low66.7Low153 Ų15399.7 Ų99.775%0.75452%0.524SS*.  0149.50-74172.460.500108A5 R9M1-A5 HydrophobicContact CB-CB 4.38Å; M1-A5 VanDerWaalsContact CE-C 3.42Å; M1-A5 HydrophobicContact CE-CB 3.9Å; M1-A5 WeakPolarHBondContact CE-O 3.41Å; M1-R9 HydrophobicContact CE-CG 4.12Å
2S44.6Very low68.1Low76 Ų76100.4 Ų100.453%0.53152%0.523SS..  trans-78.3161.5166.154.20000110.9A4 A5 K6S2-A4 VanDerWaalsContact C-N 3.32Å; S2-A4 PolarHBondContact O-N 3.28Å; S2-A5 WeakPolarHBondContact O-CB 3.46Å; S2-A5 PolarHBondContact O-N 3.02Å; S2-K6 PolarHBondContact O-N 2.97Å
3D61.1Low68.9Low125 Ų12592.7 Ų92.767%0.66848%0.483SS*.Hα-helixtrans-63-37.6179.2-64.9-59.9000112.6A5 K6 E7D3-A5 VanDerWaalsContact C-N 3.26Å; D3-A5 PolarHBondContact O-N 3.41Å; D3-K6 CarbonylContact O-C 3.59Å; D3-K6 WeakPolarHBondContact O-CA 3.23Å; D3-K6 WeakPolarHBondContact O-CB 3.38Å; D3-K6 PolarHBondContact O-N 2.8Å; D3-E7 WeakPolarHBondContact O-CB 3.48Å; D3-E7 PolarHBondContact O-N 3.01Å
4A68.1Low69.8Low75 Ų7591.8 Ų91.862%0.6248%0.475SS*.Hα-helixtrans-57.5-37.2171.900000112.7S2 A8S2-A4 VanDerWaalsContact C-N 3.32Å; S2-A4 PolarHBondContact O-N 3.28Å; A4-A8 VanDerWaalsContact O-CB 3.23Å; A4-A8 WeakPolarHBondContact O-CB 3.49Å; A4-A8 PolarHBondContact O-N 3.05Å
5A65.4Low71Confident38 Ų3889.5 Ų89.531%0.31447%0.474SS..Hα-helixtrans-74.7-29175.300000112.7M1 S2 D3 R9M1-A5 HydrophobicContact CB-CB 4.38Å; M1-A5 VanDerWaalsContact CE-C 3.42Å; M1-A5 HydrophobicContact CE-CB 3.9Å; M1-A5 WeakPolarHBondContact CE-O 3.41Å; S2-A5 WeakPolarHBondContact O-CB 3.46Å; S2-A5 PolarHBondContact O-N 3.02Å; D3-A5 VanDerWaalsContact C-N 3.26Å; D3-A5 PolarHBondContact O-N 3.41Å; A5-R9 PolarHBondContact O-N 3.38Å
6K62.7Low72Confident128 Ų12887.1 Ų87.156%0.55746%0.459SS*.Hα-helixtrans-71.5-46.3174.7-171.2-176.9179.5-173.80110.8S2 D3 R9 I10S2-K6 PolarHBondContact O-N 2.97Å; D3-K6 CarbonylContact O-C 3.59Å; D3-K6 WeakPolarHBondContact O-CA 3.23Å; D3-K6 WeakPolarHBondContact O-CB 3.38Å; D3-K6 PolarHBondContact O-N 2.8Å; K6-R9 PolarHBondContact O-N 2.91Å; K6-I10 WeakPolarHBondContact O-CG1 3.49Å; K6-I10 PolarHBondContact O-N 3.25Å; K6-I10 VanDerWaalsContact O-N 3.13Å
7E71.9Confident72.6Confident95 Ų9587.7 Ų87.744%0.44446%0.459SS..Hα-helixtrans-66-39.1176.4-154.6-162.6149.400111.7D3 R9 I10 R11D3-E7 WeakPolarHBondContact O-CB 3.48Å; D3-E7 PolarHBondContact O-N 3.01Å; E7-R9 VanDerWaalsContact C-N 3.31Å; E7-R9 PolarHBondContact O-N 2.97Å; E7-I10 PolarHBondContact O-N 2.65Å; E7-I10 VanDerWaalsContact O-N 3.11Å; E7-R11 WeakPolarHBondContact O-CG 3.48Å; E7-R11 PolarHBondContact O-N 2.95Å; E7-R11 IonicContact OE1-CZ 3.2Å; E7-R11 IonicContact OE1-NE 2.97Å; E7-R11 PolarHBondContact OE1-NE 3.12Å; E7-R11 IonicContact OE1-NH2 2.65Å; E7-R11 PolarHBondContact OE1-NH2 2.93Å; E7-R11 IonicContact OE2-NH2 3.64Å
8A78.3Confident73.5Confident54 Ų5491.4 Ų91.445%0.44647%0.466SS..Hα-helixtrans-57.6-41.5172.300000112.4A4 Q12A4-A8 VanDerWaalsContact O-CB 3.23Å; A4-A8 WeakPolarHBondContact O-CB 3.49Å; A4-A8 PolarHBondContact O-N 3.05Å; A8-Q12 VanDerWaalsContact O-CB 3.29Å; A8-Q12 WeakPolarHBondContact O-CB 3.29Å; A8-Q12 PolarHBondContact O-N 3.11Å
9R74.3Confident74.4Confident120 Ų12087.8 Ų87.845%0.45345%0.451SS..Hα-helixtrans-65.6-36.5173.7-77.1-162.2-174.8-176.92.7113.2M1 A5 K6 E7 Q12 A13 S145M1-R9 HydrophobicContact CE-CG 4.12Å; A5-R9 PolarHBondContact O-N 3.38Å; K6-R9 PolarHBondContact O-N 2.91Å; E7-R9 VanDerWaalsContact C-N 3.31Å; E7-R9 PolarHBondContact O-N 2.97Å; R9-Q12 PolarHBondContact O-N 3.1Å; R9-A13 WeakPolarHBondContact O-CB 3.18Å; R9-A13 PolarHBondContact O-N 2.89Å; R9-S145 PolarHBondContact NH1-O 3.44Å
10I75.6Confident74.9Confident75 Ų7583.9 Ų83.939%0.38543%0.432SS..Hα-helixtrans-65.8-49.7176.2-65.9167.1000110.2K6 E7 Q12 A13 E14K6-I10 WeakPolarHBondContact O-CG1 3.49Å; K6-I10 PolarHBondContact O-N 3.25Å; K6-I10 VanDerWaalsContact O-N 3.13Å; E7-I10 PolarHBondContact O-N 2.65Å; E7-I10 VanDerWaalsContact O-N 3.11Å; I10-Q12 PolarHBondContact O-N 3.13Å; I10-A13 WeakPolarHBondContact O-CB 3.42Å; I10-A13 PolarHBondContact O-N 3.27Å; I10-A13 VanDerWaalsContact O-N 3.1Å; I10-E14 PolarHBondContact O-N 3.39Å
11R81Confident75.5Confident158 Ų15884.3 Ų84.360%0.59644%0.435SS*.Hα-helixtrans-59.2-34.7175.6-63.9179-169.9-174.45.2112E7 A15E7-R11 WeakPolarHBondContact O-CG 3.48Å; E7-R11 PolarHBondContact O-N 2.95Å; E7-R11 IonicContact OE1-CZ 3.2Å; E7-R11 IonicContact OE1-NE 2.97Å; E7-R11 PolarHBondContact OE1-NE 3.12Å; E7-R11 IonicContact OE1-NH2 2.65Å; E7-R11 PolarHBondContact OE1-NH2 2.93Å; E7-R11 IonicContact OE2-NH2 3.64Å; R11-A15 WeakPolarHBondContact O-CB 3.39Å; R11-A15 PolarHBondContact O-N 3.26Å; R11-A15 VanDerWaalsContact O-N 3.12Å
12Q83Confident77.4Confident108 Ų10882.9 Ų82.951%0.50543%0.426SS..Hα-helixtrans-68.1-44.1173.9-174.9175.13.800112.2A8 R9 I10 A15 K16A8-Q12 VanDerWaalsContact O-CB 3.29Å; A8-Q12 WeakPolarHBondContact O-CB 3.29Å; A8-Q12 PolarHBondContact O-N 3.11Å; R9-Q12 PolarHBondContact O-N 3.1Å; I10-Q12 PolarHBondContact O-N 3.13Å; Q12-A15 PolarHBondContact O-N 3.34Å; Q12-K16 WeakPolarHBondContact O-CG 3.37Å; Q12-K16 PolarHBondContact O-N 2.67Å; Q12-K16 VanDerWaalsContact O-N 3.09Å
13A78.8Confident79.6Confident0 Ų081.3 Ų81.30%041%0.41CS..Hα-helixtrans-61.5-47.2175.800000112R9 I10 A15 K16 E17 S142 Y146R9-A13 WeakPolarHBondContact O-CB 3.18Å; R9-A13 PolarHBondContact O-N 2.89Å; I10-A13 WeakPolarHBondContact O-CB 3.42Å; I10-A13 PolarHBondContact O-N 3.27Å; I10-A13 VanDerWaalsContact O-N 3.1Å; A13-A15 VanDerWaalsContact C-N 3.33Å; A13-A15 PolarHBondContact O-N 3.37Å; A13-K16 WeakPolarHBondContact O-CB 3.29Å; A13-K16 PolarHBondContact O-N 3.09Å; A13-K16 VanDerWaalsContact O-N 3.12Å; A13-E17 PolarHBondContact O-N 3.12Å; A13-S142 WeakPolarHBondContact CB-OG 3.42Å; A13-Y146 HydrophobicContact CB-CE2 4.09Å
14E81.9Confident80.9Confident80 Ų8079.7 Ų79.737%0.37440%0.399SS..Hα-helixtrans-58.8-41.6174.6-74.7-175-142.700112.7I10 K16 E17 R18I10-E14 PolarHBondContact O-N 3.39Å; E14-K16 VanDerWaalsContact C-N 3.28Å; E14-K16 PolarHBondContact O-N 3.43Å; E14-E17 PolarHBondContact O-N 3.09Å; E14-R18 VanDerWaalsContact O-CG 3.26Å; E14-R18 WeakPolarHBondContact O-CG 3.26Å; E14-R18 PolarHBondContact O-N 2.71Å; E14-R18 IonicContact OE2-CZ 3.75Å; E14-R18 IonicContact OE2-NH2 2.67Å; E14-R18 PolarHBondContact OE2-NH2 2.95Å
15A87.9Confident82Confident57 Ų5782.3 Ų82.347%0.47140%0.396SS..Hα-helixtrans-62.8-37.8177.600000111.5R11 Q12 A13 A19R11-A15 WeakPolarHBondContact O-CB 3.39Å; R11-A15 PolarHBondContact O-N 3.26Å; R11-A15 VanDerWaalsContact O-N 3.12Å; Q12-A15 PolarHBondContact O-N 3.34Å; A13-A15 VanDerWaalsContact C-N 3.33Å; A13-A15 PolarHBondContact O-N 3.37Å; A15-A19 PolarHBondContact O-N 3.3Å; A15-A19 VanDerWaalsContact O-N 3.09Å
16K86.5Confident83.4Confident52 Ų5285.4 Ų85.423%0.22640%0.403CS..Hα-helixtrans-66.6-40173.7-69.9-59.4-175-178.60112.8Q12 A13 E14 A19 A20 E138Q12-K16 WeakPolarHBondContact O-CG 3.37Å; Q12-K16 PolarHBondContact O-N 2.67Å; Q12-K16 VanDerWaalsContact O-N 3.09Å; A13-K16 WeakPolarHBondContact O-CB 3.29Å; A13-K16 PolarHBondContact O-N 3.09Å; A13-K16 VanDerWaalsContact O-N 3.12Å; E14-K16 VanDerWaalsContact C-N 3.28Å; E14-K16 PolarHBondContact O-N 3.43Å; K16-A19 PolarHBondContact O-N 3.37Å; K16-A20 PolarHBondContact O-N 2.92Å; K16-E138 WeakPolarHBondContact CB-O 3.43Å; K16-E138 HydrophobicContact CD-CB 4.33Å; K16-E138 VanDerWaalsContact CD-CD 3.44Å; K16-E138 HydrophobicContact CD-CG 4.46Å; K16-E138 WeakPolarHBondContact CD-OE2 3.43Å; K16-E138 IonicContact NZ-OE1 2.63Å; K16-E138 PolarHBondContact NZ-OE1 2.92Å; K16-E138 IonicContact NZ-OE2 3.31Å; K16-E138 PolarHBondContact NZ-OE2 2.8Å
17E81.9Confident84.8Confident97 Ų9780.3 Ų80.345%0.45338%0.381SS..Hα-helixtrans-66.4-40.7175.8-74.6165.7-156.300112.4A13 E14 A19 A20 L21 S142A13-E17 PolarHBondContact O-N 3.12Å; E14-E17 PolarHBondContact O-N 3.09Å; E17-A19 VanDerWaalsContact C-N 3.31Å; E17-A19 PolarHBondContact O-N 3.34Å; E17-A20 PolarHBondContact O-N 3.25Å; E17-L21 PolarHBondContact O-N 3.46Å; E17-S142 PolarHBondContact OE1-OG 3.27Å
18R89Confident85.8Confident155 Ų15580.3 Ų80.359%0.58538%0.384SS*.Hα-helixtrans-61.5-38.5173.1-65.7170.6-155.5-157.68.6111.7E14 Q22E14-R18 VanDerWaalsContact O-CG 3.26Å; E14-R18 WeakPolarHBondContact O-CG 3.26Å; E14-R18 PolarHBondContact O-N 2.71Å; E14-R18 IonicContact OE2-CZ 3.75Å; E14-R18 IonicContact OE2-NH2 2.67Å; E14-R18 PolarHBondContact OE2-NH2 2.95Å; R18-Q22 WeakPolarHBondContact O-CG 3.47Å; R18-Q22 PolarHBondContact O-N 3.04Å
19A89.9Confident86.5Confident22 Ų2283.3 Ų83.318%0.18239%0.389CS..Hα-helixtrans-67.9-43.6174.600000112.4A15 K16 E17 L21 Q22 H23 E138A15-A19 PolarHBondContact O-N 3.3Å; A15-A19 VanDerWaalsContact O-N 3.09Å; K16-A19 PolarHBondContact O-N 3.37Å; E17-A19 VanDerWaalsContact C-N 3.31Å; E17-A19 PolarHBondContact O-N 3.34Å; A19-L21 VanDerWaalsContact C-N 3.33Å; A19-L21 PolarHBondContact O-N 2.97Å; A19-Q22 WeakPolarHBondContact O-CB 3Å; A19-Q22 PolarHBondContact O-N 3.16Å; A19-Q22 VanDerWaalsContact O-N 3.14Å; A19-H23 PolarHBondContact O-CD2 2.64Å; A19-H23 PolarHBondContact O-N 2.78Å; A19-E138 HydrophobicContact CB-CG 3.99Å; A19-E138 WeakPolarHBondContact CB-OE2 3.38Å
20A84.8Confident87.5Confident9 Ų978.9 Ų78.97%0.07438%0.375CS..Hα-helixtrans-58-43.2174.800000112.1K16 E17 Q22 H23 Q24 M135 E138 I139K16-A20 PolarHBondContact O-N 2.92Å; E17-A20 PolarHBondContact O-N 3.25Å; A20-Q22 VanDerWaalsContact C-N 3.33Å; A20-Q22 PolarHBondContact O-N 3.03Å; A20-H23 WeakPolarHBondContact O-CB 3.4Å; A20-H23 PolarHBondContact O-N 3.18Å; A20-H23 VanDerWaalsContact O-N 3.12Å; A20-Q24 PolarHBondContact O-N 2.81Å; A20-M135 HydrophobicContact CB-CG 4.15Å; A20-E138 HydrophobicContact CB-CB 4.15Å; A20-I139 HydrophobicContact CB-CD1 4.34Å; A20-I139 HydrophobicContact CB-CG1 3.79Å
21L87.5Confident88.4Confident93 Ų9378.6 Ų78.649%0.48737%0.374SS..Hα-helixtrans-63.2-35.1176.2-17464.6000112.8E17 A19 Q24 K25E17-L21 PolarHBondContact O-N 3.46Å; A19-L21 VanDerWaalsContact C-N 3.33Å; A19-L21 PolarHBondContact O-N 2.97Å; L21-Q24 PolarHBondContact O-N 2.79Å; L21-K25 PolarHBondContact O-N 3Å
22Q91.8Very high89.1Confident124 Ų12473.5 Ų73.558%0.57937%0.366SS*.Hα-helixtrans-68.3-37.5172.2-70.1-176.316.600112.4R18 A19 A20 K26R18-Q22 WeakPolarHBondContact O-CG 3.47Å; R18-Q22 PolarHBondContact O-N 3.04Å; A19-Q22 WeakPolarHBondContact O-CB 3Å; A19-Q22 PolarHBondContact O-N 3.16Å; A19-Q22 VanDerWaalsContact O-N 3.14Å; A20-Q22 VanDerWaalsContact C-N 3.33Å; A20-Q22 PolarHBondContact O-N 3.03Å; Q22-K26 PolarHBondContact O-N 2.73Å
23H90.9Very high89.8Confident42 Ų4272.9 Ų72.919%0.19437%0.367CS..Hα-helixtrans-66-39.2173.7-72.6-58.5000112A19 A20 K25 K26 L27 L131 M135A19-H23 PolarHBondContact O-CD2 2.64Å; A19-H23 PolarHBondContact O-N 2.78Å; A20-H23 WeakPolarHBondContact O-CB 3.4Å; A20-H23 PolarHBondContact O-N 3.18Å; A20-H23 VanDerWaalsContact O-N 3.12Å; H23-K25 PolarHBondContact O-N 3.36Å; H23-K26 PolarHBondContact O-N 2.7Å; H23-L27 VanDerWaalsContact O-CB 3.27Å; H23-L27 WeakPolarHBondContact O-CB 3.41Å; H23-L27 PolarHBondContact O-N 2.68Å; H23-L131 WeakPolarHBondContact ND1-CD2 3.49Å; H23-M135 HydrophobicContact CB-CB 3.88Å; H23-M135 HydrophobicContact CB-CG 4.34Å
24Q88.1Confident90.6Very high91 Ų9175.3 Ų75.343%0.42538%0.377SS..Hα-helixtrans-60.9-42.7177-166.8-173.622.700112.7A20 L21 L27 N28 M135A20-Q24 PolarHBondContact O-N 2.81Å; L21-Q24 PolarHBondContact O-N 2.79Å; Q24-L27 WeakPolarHBondContact O-CB 3.48Å; Q24-L27 PolarHBondContact O-N 3.48Å; Q24-N28 PolarHBondContact O-N 3.24Å; Q24-N28 PolarHBondContact O-OD1 3.4Å; Q24-M135 HydrophobicContact CB-SD 3.86Å; Q24-M135 HydrophobicContact CG-SD 4.22Å
25K91.8Very high91.3Very high130 Ų13077.6 Ų77.657%0.56539%0.386SS*.Hα-helixtrans-60.8-49.8176.7-70.9-177.6178.1-173.10111.8L21 H23 L27 N28 E29L21-K25 PolarHBondContact O-N 3Å; H23-K25 PolarHBondContact O-N 3.36Å; K25-L27 VanDerWaalsContact C-N 3.3Å; K25-L27 PolarHBondContact O-N 3.1Å; K25-N28 PolarHBondContact O-N 3Å; K25-E29 WeakPolarHBondContact O-CG 3.47Å; K25-E29 PolarHBondContact O-N 2.97Å; K25-E29 VanDerWaalsContact O-N 3.15Å
26K93.8Very high91.7Very high104 Ų10479.1 Ų79.145%0.45239%0.385SS..Hα-helixtrans-62.2-36.1176.4-67.7176.2179.9177.30112.5Q22 H23 E29 V30 L131Q22-K26 PolarHBondContact O-N 2.73Å; H23-K26 PolarHBondContact O-N 2.7Å; K26-E29 PolarHBondContact O-N 3.28Å; K26-V30 WeakPolarHBondContact O-CB 3.49Å; K26-V30 VanDerWaalsContact O-CG2 3.25Å; K26-V30 WeakPolarHBondContact O-CG2 3.41Å; K26-V30 PolarHBondContact O-N 2.89Å; K26-L131 HydrophobicContact CB-CD1 4.11Å; K26-L131 HydrophobicContact CB-CD2 4.31Å
27L92.8Very high92.2Very high20 Ų2077.8 Ų77.811%0.10538%0.38CS..Hα-helixtrans-62.3-42.7175.8-178.963.3000111.3H23 Q24 K25 V30 N31 I128 L131 M135H23-L27 VanDerWaalsContact O-CB 3.27Å; H23-L27 WeakPolarHBondContact O-CB 3.41Å; H23-L27 PolarHBondContact O-N 2.68Å; Q24-L27 WeakPolarHBondContact O-CB 3.48Å; Q24-L27 PolarHBondContact O-N 3.48Å; K25-L27 VanDerWaalsContact C-N 3.3Å; K25-L27 PolarHBondContact O-N 3.1Å; L27-V30 PolarHBondContact O-N 3.42Å; L27-N31 VanDerWaalsContact O-CB 3.31Å; L27-N31 WeakPolarHBondContact O-CB 3.08Å; L27-N31 PolarHBondContact O-N 3.14Å; L27-N31 PolarHBondContact O-ND2 3.41Å; L27-I128 HydrophobicContact CD1-CB 4.23Å; L27-I128 HydrophobicContact CD1-CG1 4.18Å; L27-I128 HydrophobicContact CD1-CG2 3.95Å; L27-L131 HydrophobicContact CD1-CB 4.23Å; L27-M135 HydrophobicContact CD2-CE 4.32Å; L27-M135 HydrophobicContact CD2-SD 4.44Å
28N91.8Very high93Very high96 Ų9675.8 Ų75.851%0.51337%0.373SS..Hα-helixtrans-64.8-43.3176.7-67.2-10.6000112.3Q24 K25 N31 A32Q24-N28 PolarHBondContact O-N 3.24Å; Q24-N28 PolarHBondContact O-OD1 3.4Å; K25-N28 PolarHBondContact O-N 3Å; N28-N31 PolarHBondContact O-N 3.19Å; N28-A32 PolarHBondContact O-N 2.82Å
29E94.4Very high93.4Very high116 Ų11672.3 Ų72.354%0.54236%0.363SS..Hα-helixtrans-60.1-46.9175.5-67.7159-16500111.8K25 K26 A32 N33K25-E29 WeakPolarHBondContact O-CG 3.47Å; K25-E29 PolarHBondContact O-N 2.97Å; K25-E29 VanDerWaalsContact O-N 3.15Å; K26-E29 PolarHBondContact O-N 3.28Å; E29-A32 PolarHBondContact O-N 2.87Å; E29-N33 PolarHBondContact O-N 2.93Å; E29-N33 PolarHBondContact O-ND2 2.8Å; E29-N33 VanDerWaalsContact O-ND2 3.15Å
30V95.4Very high93.8Very high27 Ų2775.2 Ų75.216%0.16437%0.372CS..Hα-helixtrans-67.7-37.8178.9176.40000111.5K26 L27 N33 K34 L124 I128 L131K26-V30 WeakPolarHBondContact O-CB 3.49Å; K26-V30 VanDerWaalsContact O-CG2 3.25Å; K26-V30 WeakPolarHBondContact O-CG2 3.41Å; K26-V30 PolarHBondContact O-N 2.89Å; L27-V30 PolarHBondContact O-N 3.42Å; V30-N33 PolarHBondContact O-N 3.32Å; V30-K34 WeakPolarHBondContact O-CB 3.02Å; V30-K34 PolarHBondContact O-N 3.1Å; V30-L124 HydrophobicContact CG1-CB 4.24Å; V30-L124 HydrophobicContact CG1-CD2 3.98Å; V30-I128 HydrophobicContact CB-CG1 4.41Å; V30-I128 HydrophobicContact CG1-CD1 4.07Å; V30-I128 HydrophobicContact CG1-CG1 3.65Å; V30-L131 HydrophobicContact CG2-CD1 4.13Å
31N93.9Very high94.4Very high69 Ų6975.4 Ų75.437%0.36937%0.371SS..Hα-helixtrans-62.1-45.4174-77.6-25.8000112.1L27 N28 K34 K35 I128L27-N31 VanDerWaalsContact O-CB 3.31Å; L27-N31 WeakPolarHBondContact O-CB 3.08Å; L27-N31 PolarHBondContact O-N 3.14Å; L27-N31 PolarHBondContact O-ND2 3.41Å; N28-N31 PolarHBondContact O-N 3.19Å; N31-K34 PolarHBondContact O-N 2.75Å; N31-K35 PolarHBondContact O-N 3.28Å; N31-I128 WeakPolarHBondContact OD1-CD1 3.44Å; N31-I128 WeakPolarHBondContact OD1-CG1 3.44Å
32A95.5Very high94.9Very high52 Ų5277.5 Ų77.543%0.4338%0.379SS..Hα-helixtrans-62.4-45.4177.800000111.6N28 E29 K34 K35 I36N28-A32 PolarHBondContact O-N 2.82Å; E29-A32 PolarHBondContact O-N 2.87Å; A32-K34 VanDerWaalsContact C-N 3.32Å; A32-K34 PolarHBondContact O-N 3.39Å; A32-K35 PolarHBondContact O-N 3.08Å; A32-I36 WeakPolarHBondContact O-CG1 3.19Å; A32-I36 PolarHBondContact O-N 3.39Å
33N96.9Very high95.2Very high95 Ų9576.2 Ų76.251%0.50837%0.368SS..Hα-helixtrans-62.5-36.9175.2-73.3-34.6000112.6E29 V30 L37E29-N33 PolarHBondContact O-N 2.93Å; E29-N33 PolarHBondContact O-ND2 2.8Å; E29-N33 VanDerWaalsContact O-ND2 3.15Å; V30-N33 PolarHBondContact O-N 3.32Å; N33-L37 WeakPolarHBondContact O-CB 3.25Å; N33-L37 PolarHBondContact O-N 2.83Å
34K96.9Very high95.6Very high50 Ų5074.2 Ų74.222%0.21736%0.359CS..Hα-helixtrans-66.2-43.8175.2-164.8-165.4178.3-580111.4V30 N31 A32 I36 L37 D38 S121 L124 I128V30-K34 WeakPolarHBondContact O-CB 3.02Å; V30-K34 PolarHBondContact O-N 3.1Å; N31-K34 PolarHBondContact O-N 2.75Å; A32-K34 VanDerWaalsContact C-N 3.32Å; A32-K34 PolarHBondContact O-N 3.39Å; K34-I36 PolarHBondContact O-N 3.37Å; K34-L37 CarbonylContact O-C 3.54Å; K34-L37 WeakPolarHBondContact O-CA 3.46Å; K34-L37 WeakPolarHBondContact O-CB 3.48Å; K34-L37 PolarHBondContact O-N 3.25Å; K34-D38 IonicContact NZ-OD1 2.71Å; K34-D38 PolarHBondContact NZ-OD1 3.42Å; K34-D38 IonicContact NZ-OD2 3.6Å; K34-D38 PolarHBondContact NZ-OD2 2.83Å; K34-D38 PolarHBondContact O-N 3.12Å; K34-S121 VanDerWaalsContact CE-OG 3.29Å; K34-S121 WeakPolarHBondContact CE-OG 3.46Å; K34-S121 PolarHBondContact NZ-OG 3.07Å; K34-L124 HydrophobicContact CB-CB 4.12Å; K34-L124 HydrophobicContact CB-CD1 3.94Å; K34-L124 HydrophobicContact CG-CB 4.09Å; K34-L124 HydrophobicContact CG-CD1 4.27Å; K34-I128 HydrophobicContact CB-CD1 4.33Å; K34-I128 HydrophobicContact CD-CD1 3.83Å
35K95.9Very high96.1Very high128 Ų12874.2 Ų74.256%0.55736%0.359SS*.Hα-helixtrans-57.7-47.3178-175.2174.3-174.5-71.40112.2N31 A32 L37 D38 E39N31-K35 PolarHBondContact O-N 3.28Å; A32-K35 PolarHBondContact O-N 3.08Å; K35-L37 PolarHBondContact O-N 3.48Å; K35-D38 PolarHBondContact O-N 2.82Å; K35-E39 IonicContact NZ-OE1 2.75Å; K35-E39 PolarHBondContact NZ-OE1 3.48Å; K35-E39 WeakPolarHBondContact O-CG 3.46Å; K35-E39 PolarHBondContact O-N 3.43Å
36I96.7Very high96.4Very high90 Ų9074.4 Ų74.446%0.46236%0.36SS..Hα-helixtrans-62.7-31.3177-64.7165.8000111.7A32 K34 K40A32-I36 WeakPolarHBondContact O-CG1 3.19Å; A32-I36 PolarHBondContact O-N 3.39Å; K34-I36 PolarHBondContact O-N 3.37Å; I36-K40 WeakPolarHBondContact O-CG 3.22Å; I36-K40 PolarHBondContact O-N 3.48Å
37L97.3Very high96.6Very high24 Ų2469.5 Ų69.513%0.12634%0.339CS..Hα-helixtrans-76.2-40.6176.1-17959.3000112.3N33 K34 K35 K40 I41 L117 N120 L124N33-L37 WeakPolarHBondContact O-CB 3.25Å; N33-L37 PolarHBondContact O-N 2.83Å; K34-L37 CarbonylContact O-C 3.54Å; K34-L37 WeakPolarHBondContact O-CA 3.46Å; K34-L37 WeakPolarHBondContact O-CB 3.48Å; K34-L37 PolarHBondContact O-N 3.25Å; K35-L37 PolarHBondContact O-N 3.48Å; L37-K40 WeakPolarHBondContact O-CB 3.49Å; L37-K40 PolarHBondContact O-N 2.89Å; L37-I41 HydrophobicContact CG-CD1 4.39Å; L37-I41 WeakPolarHBondContact O-CG1 3.48Å; L37-I41 PolarHBondContact O-N 2.86Å; L37-L117 HydrophobicContact CD1-CB 3.93Å; L37-L117 HydrophobicContact CD1-CD2 3.46Å; L37-L117 VanDerWaalsContact CD1-CD2 3.46Å; L37-L117 HydrophobicContact CD1-CG 4.22Å; L37-N120 HydrophobicContact CD2-CB 3.74Å; L37-L124 HydrophobicContact CD2-CD1 3.82Å
38D97.2Very high96.8Very high55 Ų5571.5 Ų71.529%0.29435%0.347SS..Hα-helixtrans-63.5-41.7176.3-63.5-27.1000111.2K34 K35 K40 I41 E42 S121K34-D38 IonicContact NZ-OD1 2.71Å; K34-D38 PolarHBondContact NZ-OD1 3.42Å; K34-D38 IonicContact NZ-OD2 3.6Å; K34-D38 PolarHBondContact NZ-OD2 2.83Å; K34-D38 PolarHBondContact O-N 3.12Å; K35-D38 PolarHBondContact O-N 2.82Å; D38-K40 PolarHBondContact O-N 3.32Å; D38-I41 WeakPolarHBondContact O-CB 3.4Å; D38-I41 PolarHBondContact O-N 2.86Å; D38-I41 VanDerWaalsContact O-N 3.08Å; D38-E42 PolarHBondContact O-N 3.21Å; D38-S121 PolarHBondContact OD1-OG 3.24Å
39E97.8Very high97.1Very high81 Ų8169 Ų6938%0.37934%0.343SS..Hα-helixtrans-59.8-31.9173.9-73165.9-179.700112.8K35 R43K35-E39 IonicContact NZ-OE1 2.75Å; K35-E39 PolarHBondContact NZ-OE1 3.48Å; K35-E39 WeakPolarHBondContact O-CG 3.46Å; K35-E39 PolarHBondContact O-N 3.43Å; E39-R43 WeakPolarHBondContact O-CG 3.5Å; E39-R43 PolarHBondContact O-N 3.39Å
40K98.3Very high97.3Very high83 Ų8366.9 Ų66.936%0.36133%0.333SS..Hα-helixtrans-76.7-33.8174.4-69.6178176.8-165.40112.5I36 L37 D38 L44 L466I36-K40 WeakPolarHBondContact O-CG 3.22Å; I36-K40 PolarHBondContact O-N 3.48Å; L37-K40 WeakPolarHBondContact O-CB 3.49Å; L37-K40 PolarHBondContact O-N 2.89Å; D38-K40 PolarHBondContact O-N 3.32Å; K40-L44 WeakPolarHBondContact O-CG 3.09Å; K40-L44 PolarHBondContact O-N 2.91Å; K40-L466 HydrophobicContact CB-CD1 4.34Å; K40-L466 HydrophobicContact CB-CD2 4.24Å; K40-L466 HydrophobicContact CD-CD2 3.79Å; K40-L466 HydrophobicContact CG-CD1 4.48Å; K40-L466 HydrophobicContact CG-CD2 3.7Å
41I98.5Very high97.4Very high14 Ų1465.6 Ų65.67%0.07233%0.326CS..Hα-helixtrans-63.5-51.3172.6-69165.7000109L37 D38 R43 L44 E45 L114 L117 K118L37-I41 HydrophobicContact CG-CD1 4.39Å; L37-I41 WeakPolarHBondContact O-CG1 3.48Å; L37-I41 PolarHBondContact O-N 2.86Å; D38-I41 WeakPolarHBondContact O-CB 3.4Å; D38-I41 PolarHBondContact O-N 2.86Å; D38-I41 VanDerWaalsContact O-N 3.08Å; I41-R43 PolarHBondContact O-N 2.82Å; I41-L44 PolarHBondContact O-N 2.98Å; I41-E45 HydrophobicContact CG2-CG 4.2Å; I41-E45 WeakPolarHBondContact O-CG 3.34Å; I41-E45 PolarHBondContact O-N 3.4Å; I41-L114 HydrophobicContact CG2-CD1 3.89Å; I41-L117 HydrophobicContact CD1-CB 4.22Å; I41-L117 HydrophobicContact CG1-CB 3.74Å; I41-K118 HydrophobicContact CD1-CG 4.09Å; I41-K118 HydrophobicContact CG1-CG 4.47Å; I41-K118 HydrophobicContact CG2-CG 4.23Å
42E98.1Very high97.6Very high136 Ų13665.2 Ų65.264%0.63633%0.326SS*.Hα-helixtrans-56.2-45.3179.6-173.9-179.5178.100112.4D38 L44 E45 K46D38-E42 PolarHBondContact O-N 3.21Å; E42-L44 VanDerWaalsContact C-N 3.34Å; E42-L44 PolarHBondContact O-N 3.47Å; E42-E45 PolarHBondContact O-N 3.15Å; E42-K46 WeakPolarHBondContact O-CB 3.42Å; E42-K46 PolarHBondContact O-N 3.06Å
43R98.2Very high97.8Very high97 Ų9766.1 Ų66.137%0.36633%0.329SS..Hα-helixtrans-58.1-42.7174.7-76.5177.564.3-152.5-6.6112.8E39 I41 A47 S462 D465 L466E39-R43 WeakPolarHBondContact O-CG 3.5Å; E39-R43 PolarHBondContact O-N 3.39Å; I41-R43 PolarHBondContact O-N 2.82Å; R43-A47 WeakPolarHBondContact O-CB 3.22Å; R43-A47 PolarHBondContact O-N 3.12Å; R43-A47 VanDerWaalsContact O-N 3.08Å; R43-S462 PolarHBondContact NH2-O 2.8Å; R43-D465 IonicContact CZ-OD1 3.11Å; R43-D465 IonicContact CZ-OD2 2.74Å; R43-D465 IonicContact NH1-OD1 2.69Å; R43-D465 IonicContact NH1-OD2 3.13Å; R43-D465 PolarHBondContact NH1-OD2 2.95Å; R43-D465 IonicContact NH2-OD1 2.69Å; R43-D465 PolarHBondContact NH2-OD1 3.33Å; R43-D465 IonicContact NH2-OD2 3.88Å; R43-D465 PolarHBondContact NH2-OD2 3.42Å; R43-L466 HydrophobicContact CB-CD1 3.92Å
44L98.5Very high97.8Very high0 Ų062.2 Ų62.20%031%0.308CS..Hα-helixtrans-75-34.6179.6-72.1167.3000112.8K40 I41 E42 K48 I110 K113 L114 L117 I463 L466 V467K40-L44 WeakPolarHBondContact O-CG 3.09Å; K40-L44 PolarHBondContact O-N 2.91Å; I41-L44 PolarHBondContact O-N 2.98Å; E42-L44 VanDerWaalsContact C-N 3.34Å; E42-L44 PolarHBondContact O-N 3.47Å; L44-K48 WeakPolarHBondContact O-CB 3.31Å; L44-K48 PolarHBondContact O-N 3.43Å; L44-I110 HydrophobicContact CD2-CG2 4.35Å; L44-K113 HydrophobicContact CD1-CG 4.41Å; L44-L114 HydrophobicContact CB-CD1 4.21Å; L44-L117 HydrophobicContact CD1-CD1 3.41Å; L44-L117 VanDerWaalsContact CD1-CD1 3.41Å; L44-I463 HydrophobicContact CD2-CB 4.04Å; L44-I463 HydrophobicContact CD2-CD1 4.09Å; L44-I463 HydrophobicContact CD2-CG2 4.08Å; L44-L466 HydrophobicContact CD1-CB 4.32Å; L44-L466 HydrophobicContact CD1-CD1 4.32Å; L44-L466 HydrophobicContact CD2-CB 4.15Å; L44-L466 HydrophobicContact CD2-CD1 4.27Å; L44-L466 HydrophobicContact CG-CB 4.38Å; L44-L466 HydrophobicContact CG-CD1 3.89Å; L44-V467 HydrophobicContact CD2-CG1 3.75Å
45E98.2Very high97.9Very high91 Ų9160.5 Ų60.543%0.42530%0.301SS..Hα-helixtrans-66.1-43.7174.3-69.3-169.2129.200111.6I41 E42 K48 G49 L114 K118I41-E45 HydrophobicContact CG2-CG 4.2Å; I41-E45 WeakPolarHBondContact O-CG 3.34Å; I41-E45 PolarHBondContact O-N 3.4Å; E42-E45 PolarHBondContact O-N 3.15Å; E45-K48 PolarHBondContact O-N 3.5Å; E45-G49 PolarHBondContact O-N 3.18Å; E45-L114 HydrophobicContact CG-CD1 3.64Å; E45-L114 HydrophobicContact CG-CD2 3.93Å; E45-L114 HydrophobicContact CG-CG 4.41Å; E45-K118 WeakPolarHBondContact OE1-CE 3.34Å; E45-K118 IonicContact OE1-NZ 2.64Å; E45-K118 PolarHBondContact OE1-NZ 3.21Å
46K98.3Very high98Very high134 Ų13457.8 Ų57.858%0.58330%0.298SS*.Hα-helixtrans-58.2-52.9172.9179.8-178.7167.7-177.30111E42 K48 G49 E50E42-K46 WeakPolarHBondContact O-CB 3.42Å; E42-K46 PolarHBondContact O-N 3.06Å; K46-K48 VanDerWaalsContact C-N 3.3Å; K46-K48 PolarHBondContact O-N 3.31Å; K46-G49 WeakPolarHBondContact O-CA 3.09Å; K46-G49 PolarHBondContact O-N 3.38Å; K46-E50 VanDerWaalsContact CE-CD 3.48Å; K46-E50 WeakPolarHBondContact CE-OE1 3.48Å; K46-E50 IonicContact NZ-OE1 2.66Å; K46-E50 PolarHBondContact O-N 2.72Å
47A97.9Very high98Very high1 Ų155.4 Ų55.41%0.00829%0.29CS..Hα-helixtrans-61-37.4-18000000112.4R43 E50 L51 V459 I463R43-A47 WeakPolarHBondContact O-CB 3.22Å; R43-A47 PolarHBondContact O-N 3.12Å; R43-A47 VanDerWaalsContact O-N 3.08Å; A47-E50 PolarHBondContact O-N 3.2Å; A47-L51 WeakPolarHBondContact O-CB 3.27Å; A47-L51 VanDerWaalsContact O-CG 3.23Å; A47-L51 WeakPolarHBondContact O-CG 3.49Å; A47-L51 PolarHBondContact O-N 3.46Å; A47-V459 HydrophobicContact CB-CG1 3.7Å; A47-I463 HydrophobicContact CB-CD1 4.04Å; A47-I463 HydrophobicContact CB-CG2 3.54Å
48K97.6Very high98Very high63 Ų6354.3 Ų54.327%0.27428%0.284SS..Hα-helixtrans-60.9-44.6172.3-175-173.2-179.6177.10111.7L44 E45 K46 L51 T52 Q107 I110 D111L44-K48 WeakPolarHBondContact O-CB 3.31Å; L44-K48 PolarHBondContact O-N 3.43Å; E45-K48 PolarHBondContact O-N 3.5Å; K46-K48 VanDerWaalsContact C-N 3.3Å; K46-K48 PolarHBondContact O-N 3.31Å; K48-L51 PolarHBondContact O-N 3.11Å; K48-T52 WeakPolarHBondContact O-CB 3.36Å; K48-T52 PolarHBondContact O-N 2.84Å; K48-T52 PolarHBondContact O-OG1 2.93Å; K48-Q107 PolarHBondContact O-NE2 2.91Å; K48-I110 HydrophobicContact CB-CG2 4.43Å; K48-D111 WeakPolarHBondContact CD-OD1 3.48Å; K48-D111 VanDerWaalsContact CE-OD1 3.29Å; K48-D111 WeakPolarHBondContact CE-OD1 3.45Å; K48-D111 VanDerWaalsContact CE-OD2 3.32Å; K48-D111 WeakPolarHBondContact CE-OD2 3.35Å; K48-D111 IonicContact NZ-OD1 3.48Å; K48-D111 PolarHBondContact NZ-OD1 2.92Å; K48-D111 IonicContact NZ-OD2 3.57Å; K48-D111 PolarHBondContact NZ-OD2 3.5Å
49G98.2Very high98Very high42 Ų4256 Ų5643%0.43329%0.292SS..Hα-helixtrans-59.5-47.1177.100000112.2E45 K46 T52 S53E45-G49 PolarHBondContact O-N 3.18Å; K46-G49 WeakPolarHBondContact O-CA 3.09Å; K46-G49 PolarHBondContact O-N 3.38Å; G49-T52 PolarHBondContact O-N 3.5Å; G49-S53 PolarHBondContact O-N 3.18Å; G49-S53 VanDerWaalsContact O-N 3.12Å
50E98.2Very high98Very high72 Ų7256 Ų5634%0.33630%0.301SS..Hα-helixtrans-60.9-50.3176.4-68.5172.3156.700111.1K46 A47 T52 S53 D54 V459K46-E50 VanDerWaalsContact CE-CD 3.48Å; K46-E50 WeakPolarHBondContact CE-OE1 3.48Å; K46-E50 IonicContact NZ-OE1 2.66Å; K46-E50 PolarHBondContact O-N 2.72Å; A47-E50 PolarHBondContact O-N 3.2Å; E50-T52 PolarHBondContact O-N 2.9Å; E50-S53 WeakPolarHBondContact O-CB 3.38Å; E50-S53 PolarHBondContact O-N 2.73Å; E50-D54 PolarHBondContact O-N 2.99Å; E50-V459 HydrophobicContact CB-CG1 4.18Å; E50-V459 HydrophobicContact CB-CG2 3.82Å
51L98Very high98Very high1 Ų152.6 Ų52.61%0.00529%0.286CS..Hα-helixtrans-58.3-32.4175.1-70.4169.9000113.6A47 K48 L55 Q107 I110 F456 V459 Y460A47-L51 WeakPolarHBondContact O-CB 3.27Å; A47-L51 VanDerWaalsContact O-CG 3.23Å; A47-L51 WeakPolarHBondContact O-CG 3.49Å; A47-L51 PolarHBondContact O-N 3.46Å; K48-L51 PolarHBondContact O-N 3.11Å; L51-L55 VanDerWaalsContact O-CB 3.22Å; L51-L55 WeakPolarHBondContact O-CB 3.49Å; L51-L55 PolarHBondContact O-N 3.48Å; L51-Q107 HydrophobicContact CB-CG 4.2Å; L51-Q107 HydrophobicContact CD1-CG 4.48Å; L51-I110 HydrophobicContact CD1-CD1 3.31Å; L51-F456 HydrophobicContact CD2-CD1 3.46Å; L51-F456 VanDerWaalsContact CD2-CD1 3.46Å; L51-F456 HydrophobicContact CD2-CE1 3.83Å; L51-V459 HydrophobicContact CD1-CG1 4.36Å; L51-V459 HydrophobicContact CD2-CB 4.13Å; L51-V459 HydrophobicContact CD2-CG1 4.08Å; L51-V459 HydrophobicContact CG-CB 4.36Å; L51-V459 HydrophobicContact CG-CG1 3.77Å; L51-Y460 HydrophobicContact CD1-CD1 4.17Å; L51-Y460 HydrophobicContact CD1-CE1 3.65Å; L51-Y460 HydrophobicContact CD2-CD1 4.07Å; L51-Y460 HydrophobicContact CD2-CE1 3.56Å; L51-Y460 HydrophobicContact CD2-CE2 4.4Å; L51-Y460 HydrophobicContact CG-CE1 4.28Å
52T98.1Very high97.8Very high60 Ų6052.8 Ų52.837%0.36829%0.288SS..Hα-helixtrans-71.4-37.2177.9-53.30000111.1K48 G49 E50 S56 Q107K48-T52 WeakPolarHBondContact O-CB 3.36Å; K48-T52 PolarHBondContact O-N 2.84Å; K48-T52 PolarHBondContact O-OG1 2.93Å; G49-T52 PolarHBondContact O-N 3.5Å; E50-T52 PolarHBondContact O-N 2.9Å; T52-S56 WeakPolarHBondContact O-CB 3.35Å; T52-S56 PolarHBondContact O-N 3.15Å; T52-S56 VanDerWaalsContact O-N 3.07Å; T52-S56 PolarHBondContact O-OG 3.32Å; T52-Q107 PolarHBondContact OG1-NE2 3.46Å
53S98.4Very high97.7Very high71 Ų7150.1 Ų50.150%0.49729%0.285SS..Hα-helixtrans-67.8-42.2173.2-1710000111.7G49 E50 S56 S57G49-S53 PolarHBondContact O-N 3.18Å; G49-S53 VanDerWaalsContact O-N 3.12Å; E50-S53 WeakPolarHBondContact O-CB 3.38Å; E50-S53 PolarHBondContact O-N 2.73Å; S53-S56 PolarHBondContact O-N 3.06Å; S53-S57 WeakPolarHBondContact O-CB 3.26Å; S53-S57 PolarHBondContact O-N 3.48Å; S53-S57 PolarHBondContact O-OG 2.83Å
54D98Very high97.6Very high13 Ų1347.8 Ų47.87%0.0728%0.284CS..Hα-helixtrans-70.7-36.9178.5-70.7-31.1000112.4E50 S57 L58 K455 F456E50-D54 PolarHBondContact O-N 2.99Å; D54-S57 CarbonylContact O-C 3.59Å; D54-S57 WeakPolarHBondContact O-CB 3.34Å; D54-S57 PolarHBondContact O-N 3.42Å; D54-L58 WeakPolarHBondContact O-CB 3.25Å; D54-L58 PolarHBondContact O-N 2.81Å; D54-K455 WeakPolarHBondContact OD1-CD 3.48Å; D54-K455 WeakPolarHBondContact OD2-CB 3.27Å; D54-F456 HydrophobicContact CB-CD1 4.39Å; D54-F456 HydrophobicContact CB-CD2 4.21Å; D54-F456 HydrophobicContact CB-CE1 4.01Å; D54-F456 HydrophobicContact CB-CE2 3.82Å; D54-F456 HydrophobicContact CB-CG 4.49Å; D54-F456 HydrophobicContact CB-CZ 3.72Å
55L98Very high97.6Very high14 Ų1447.8 Ų47.87%0.07328%0.284CS..Hα-helixtrans-65.3-42172.6-176.858.6000111.7L51 S57 L58 I59 A100 H103 Q104 F456L51-L55 VanDerWaalsContact O-CB 3.22Å; L51-L55 WeakPolarHBondContact O-CB 3.49Å; L51-L55 PolarHBondContact O-N 3.48Å; L55-S57 VanDerWaalsContact C-N 3.26Å; L55-S57 PolarHBondContact O-N 2.91Å; L55-L58 HydrophobicContact CD1-CD2 4.49Å; L55-L58 PolarHBondContact O-N 3.34Å; L55-I59 HydrophobicContact CD1-CD1 4.23Å; L55-I59 HydrophobicContact CD1-CG1 4.48Å; L55-I59 HydrophobicContact CG-CD1 4.06Å; L55-I59 VanDerWaalsContact O-CG1 3.32Å; L55-I59 WeakPolarHBondContact O-CG1 3.38Å; L55-I59 PolarHBondContact O-N 2.79Å; L55-A100 HydrophobicContact CD1-CB 3.78Å; L55-H103 HydrophobicContact CD1-CB 4.15Å; L55-Q104 HydrophobicContact CD2-CB 4.32Å; L55-F456 HydrophobicContact CB-CZ 4.21Å
56S98Very high97.4Very high71 Ų7144.7 Ų44.750%0.49727%0.271SS..Hα-helixtrans-60.3-38.7172-57.90000111.6T52 S53 S60T52-S56 WeakPolarHBondContact O-CB 3.35Å; T52-S56 PolarHBondContact O-N 3.15Å; T52-S56 VanDerWaalsContact O-N 3.07Å; T52-S56 PolarHBondContact O-OG 3.32Å; S53-S56 PolarHBondContact O-N 3.06Å; S56-S60 WeakPolarHBondContact O-CB 3.45Å; S56-S60 PolarHBondContact O-N 3.19Å
57S97.5Very high97.3Very high41 Ų4141.7 Ų41.729%0.28727%0.267SS..Hα-helixtrans-66.8-40.5175.7-58.10000112.3S53 D54 L55 S60 F61S53-S57 WeakPolarHBondContact O-CB 3.26Å; S53-S57 PolarHBondContact O-N 3.48Å; S53-S57 PolarHBondContact O-OG 2.83Å; D54-S57 CarbonylContact O-C 3.59Å; D54-S57 WeakPolarHBondContact O-CB 3.34Å; D54-S57 PolarHBondContact O-N 3.42Å; L55-S57 VanDerWaalsContact C-N 3.26Å; L55-S57 PolarHBondContact O-N 2.91Å; S57-S60 PolarHBondContact O-N 2.99Å; S57-F61 WeakPolarHBondContact O-CB 3.49Å; S57-F61 PolarHBondContact O-N 3.4Å
58L97.9Very high97.3Very high1 Ų144.2 Ų44.21%0.00528%0.278CS..Hα-helixtrans-65.9-41.6176.7179.861.6000112.4D54 L55 F61 S62 L96 L99 A100 F449 I452 F456D54-L58 WeakPolarHBondContact O-CB 3.25Å; D54-L58 PolarHBondContact O-N 2.81Å; L55-L58 HydrophobicContact CD1-CD2 4.49Å; L55-L58 PolarHBondContact O-N 3.34Å; L58-F61 PolarHBondContact O-N 3.26Å; L58-S62 WeakPolarHBondContact O-CB 3.47Å; L58-S62 PolarHBondContact O-N 2.91Å; L58-L96 HydrophobicContact CD1-CD2 4.1Å; L58-L99 HydrophobicContact CD1-CD2 4.22Å; L58-L99 HydrophobicContact CD2-CD2 4.16Å; L58-L99 HydrophobicContact CD2-CG 4.35Å; L58-A100 HydrophobicContact CD2-CB 4.11Å; L58-F449 HydrophobicContact CD1-CE2 4.19Å; L58-I452 HydrophobicContact CB-CG2 4.15Å; L58-I452 HydrophobicContact CD1-CG2 4.18Å; L58-F456 HydrophobicContact CB-CE2 4.3Å; L58-F456 HydrophobicContact CD2-CE2 4.17Å; L58-F456 HydrophobicContact CD2-CZ 4.45Å
59I96.4Very high97.3Very high91 Ų9141.2 Ų41.247%0.46727%0.265SS..Hα-helixtrans-66.4-41.5176.6-67.7164.9000110.9L55 S62 S63 A100L55-I59 HydrophobicContact CD1-CD1 4.23Å; L55-I59 HydrophobicContact CD1-CG1 4.48Å; L55-I59 HydrophobicContact CG-CD1 4.06Å; L55-I59 VanDerWaalsContact O-CG1 3.32Å; L55-I59 WeakPolarHBondContact O-CG1 3.38Å; L55-I59 PolarHBondContact O-N 2.79Å; I59-S62 PolarHBondContact O-N 2.99Å; I59-S63 PolarHBondContact O-N 2.97Å; I59-S63 PolarHBondContact O-OG 3.49Å; I59-S63 VanDerWaalsContact O-OG 3.13Å; I59-A100 HydrophobicContact CG1-CB 4.42Å
60S97.3Very high97.1Very high79 Ų7943.5 Ų43.555%0.55226%0.263SS*.Hα-helixtrans-61.9-47.5173-175.10000111.6S56 S57 S62 S63 S64S56-S60 WeakPolarHBondContact O-CB 3.45Å; S56-S60 PolarHBondContact O-N 3.19Å; S57-S60 PolarHBondContact O-N 2.99Å; S60-S62 PolarHBondContact O-N 3.23Å; S60-S63 WeakPolarHBondContact O-CB 3.41Å; S60-S63 PolarHBondContact O-N 3.44Å; S60-S64 PolarHBondContact O-N 3.45Å
61F97.8Very high97Very high13 Ų1343.8 Ų43.86%0.05727%0.273CS..Hα-helixtrans-57.8-45.4175.3172.2-104.9000112.2S57 L58 S63 S64 V65 L96 Q445 K448 F449 I452 F477S57-F61 WeakPolarHBondContact O-CB 3.49Å; S57-F61 PolarHBondContact O-N 3.4Å; L58-F61 PolarHBondContact O-N 3.26Å; F61-S63 VanDerWaalsContact C-N 3.28Å; F61-S63 PolarHBondContact O-N 3.39Å; F61-S64 PolarHBondContact O-N 2.93Å; F61-S64 VanDerWaalsContact O-N 3.08Å; F61-V65 HydrophobicContact CD1-CG1 4.47Å; F61-V65 HydrophobicContact CE1-CB 4.43Å; F61-V65 HydrophobicContact CE1-CG1 4.13Å; F61-V65 HydrophobicContact CE2-CB 4.14Å; F61-V65 HydrophobicContact CZ-CB 4.02Å; F61-V65 HydrophobicContact CZ-CG1 4.22Å; F61-V65 HydrophobicContact CZ-CG2 4.29Å; F61-V65 VanDerWaalsContact O-CG1 3.3Å; F61-V65 WeakPolarHBondContact O-CG1 3.36Å; F61-V65 PolarHBondContact O-N 2.86Å; F61-L96 HydrophobicContact CD1-CD1 3.98Å; F61-L96 HydrophobicContact CE1-CD1 3.85Å; F61-L96 HydrophobicContact CE1-CD2 4.32Å; F61-Q445 HydrophobicContact CE2-CB 4.37Å; F61-Q445 HydrophobicContact CZ-CB 4.26Å; F61-Q445 WeakPolarHBondContact CZ-O 3.42Å; F61-K448 HydrophobicContact CD2-CB 4.22Å; F61-K448 HydrophobicContact CD2-CD 4.42Å; F61-K448 HydrophobicContact CE2-CB 3.77Å; F61-K448 HydrophobicContact CE2-CD 4.08Å; F61-F449 HydrophobicContact CD1-CD2 4.3Å; F61-F449 HydrophobicContact CE1-CB 3.88Å; F61-F449 AromaticContact CE1-CD2 3.79Å; F61-F449 HydrophobicContact CE1-CD2 3.79Å; F61-F449 HydrophobicContact CE1-CG 4.28Å; F61-F449 HydrophobicContact CZ-CB 3.84Å; F61-I452 HydrophobicContact CB-CD1 3.55Å; F61-I452 HydrophobicContact CD1-CD1 4.11Å; F61-I452 HydrophobicContact CD2-CD1 4.18Å; F61-I452 HydrophobicContact CG-CD1 3.67Å; F61-F477 HydrophobicContact CE1-CE1 4.38Å; F61-F477 HydrophobicContact CE1-CE2 4.41Å; F61-F477 AromaticContact CE1-CZ 3.86Å; F61-F477 HydrophobicContact CE1-CZ 3.86Å; F61-F477 HydrophobicContact CZ-CZ 4.03Å
62S96Very high96.8Very high17 Ų1744.7 Ų44.712%0.11928%0.278CS..Hα-helixtrans-56.4-41177.2-175.50000112.8L58 I59 S60 V65 T66 L96L58-S62 WeakPolarHBondContact O-CB 3.47Å; L58-S62 PolarHBondContact O-N 2.91Å; I59-S62 PolarHBondContact O-N 2.99Å; S60-S62 PolarHBondContact O-N 3.23Å; S62-V65 WeakPolarHBondContact O-CG1 3.31Å; S62-T66 VanDerWaalsContact O-CB 3.28Å; S62-T66 WeakPolarHBondContact O-CB 3.35Å; S62-T66 PolarHBondContact O-N 2.85Å; S62-T66 PolarHBondContact O-OG1 3.18Å; S62-L96 WeakPolarHBondContact OG-CB 3.48Å
63S95Very high96.4Very high81 Ų8146.2 Ų46.257%0.56628%0.284SS*.Hα-helixtrans-66.4-46174.2-55.50000111.6I59 S60 F61 S67I59-S63 PolarHBondContact O-N 2.97Å; I59-S63 PolarHBondContact O-OG 3.49Å; I59-S63 VanDerWaalsContact O-OG 3.13Å; S60-S63 WeakPolarHBondContact O-CB 3.41Å; S60-S63 PolarHBondContact O-N 3.44Å; F61-S63 VanDerWaalsContact C-N 3.28Å; F61-S63 PolarHBondContact O-N 3.39Å; S63-S67 PolarHBondContact O-N 2.89Å
64S97.2Very high95.7Very high48 Ų4846.4 Ų46.434%0.33629%0.285SS..Hα-helixtrans-62.6-56.4-179.8-1560000111.8S60 F61 T66 S67 E68S60-S64 PolarHBondContact O-N 3.45Å; F61-S64 PolarHBondContact O-N 2.93Å; F61-S64 VanDerWaalsContact O-N 3.08Å; S64-T66 VanDerWaalsContact C-N 3.3Å; S64-T66 PolarHBondContact O-N 3.42Å; S64-S67 PolarHBondContact O-N 3.17Å; S64-S67 PolarHBondContact O-OG 2.84Å; S64-E68 WeakPolarHBondContact O-CG 3.48Å; S64-E68 PolarHBondContact O-N 2.66Å; S64-E68 PolarHBondContact OG-OE1 2.82Å
65V97.2Very high95Very high0 Ų047.6 Ų47.60%030%0.301CS..Hα-helixtrans-58.5-40.4-177.866.90000112.1F61 S62 S67 E68 L69 L96 Q445 M481F61-V65 HydrophobicContact CD1-CG1 4.47Å; F61-V65 HydrophobicContact CE1-CB 4.43Å; F61-V65 HydrophobicContact CE1-CG1 4.13Å; F61-V65 HydrophobicContact CE2-CB 4.14Å; F61-V65 HydrophobicContact CZ-CB 4.02Å; F61-V65 HydrophobicContact CZ-CG1 4.22Å; F61-V65 HydrophobicContact CZ-CG2 4.29Å; F61-V65 VanDerWaalsContact O-CG1 3.3Å; F61-V65 WeakPolarHBondContact O-CG1 3.36Å; F61-V65 PolarHBondContact O-N 2.86Å; S62-V65 WeakPolarHBondContact O-CG1 3.31Å; V65-S67 VanDerWaalsContact C-N 3.3Å; V65-S67 PolarHBondContact O-N 3.28Å; V65-E68 PolarHBondContact O-N 3.24Å; V65-L69 HydrophobicContact CG2-CD1 3.78Å; V65-L69 HydrophobicContact CG2-CG 4.08Å; V65-L69 VanDerWaalsContact O-CB 3.31Å; V65-L69 WeakPolarHBondContact O-CB 3.46Å; V65-L69 VanDerWaalsContact O-CG 3.27Å; V65-L69 WeakPolarHBondContact O-CG 3.48Å; V65-L69 PolarHBondContact O-N 3.2Å; V65-L96 HydrophobicContact CG1-CD1 3.61Å; V65-Q445 HydrophobicContact CG2-CB 3.81Å; V65-Q445 HydrophobicContact CG2-CG 3.83Å; V65-M481 HydrophobicContact CG2-CE 4.38Å; V65-M481 HydrophobicContact CG2-SD 4.43Å
66T95.2Very high94.6Very high26 Ų2648.3 Ų48.316%0.1631%0.307CS..Hα-helixtrans-63.1-36.6177.5-58.70000111.8S62 S64 K70 V89 A93S62-T66 VanDerWaalsContact O-CB 3.28Å; S62-T66 WeakPolarHBondContact O-CB 3.35Å; S62-T66 PolarHBondContact O-N 2.85Å; S62-T66 PolarHBondContact O-OG1 3.18Å; S64-T66 VanDerWaalsContact C-N 3.3Å; S64-T66 PolarHBondContact O-N 3.42Å; T66-K70 HydrophobicContact CG2-CD 4.46Å; T66-K70 WeakPolarHBondContact O-CB 3.31Å; T66-K70 WeakPolarHBondContact O-CG 3.39Å; T66-K70 PolarHBondContact O-N 3.31Å; T66-V89 HydrophobicContact CG2-CG1 4.32Å; T66-A93 HydrophobicContact CG2-CB 4.22Å
67S96.3Very high94.4Very high70 Ų7045 Ų4549%0.4928%0.283SS..Hα-helixtrans-77.5-44.1176.176.60000112.6S63 S64 V65 L69 K70 S71S63-S67 PolarHBondContact O-N 2.89Å; S64-S67 PolarHBondContact O-N 3.17Å; S64-S67 PolarHBondContact O-OG 2.84Å; V65-S67 VanDerWaalsContact C-N 3.3Å; V65-S67 PolarHBondContact O-N 3.28Å; S67-L69 VanDerWaalsContact C-N 3.32Å; S67-L69 PolarHBondContact O-N 3.04Å; S67-K70 PolarHBondContact O-N 3.06Å; S67-S71 WeakPolarHBondContact O-CB 3.41Å; S67-S71 PolarHBondContact O-N 3.43Å
68E96.9Very high94Very high54 Ų5446.4 Ų46.425%0.25229%0.285SS..Hα-helixtrans-61.7-38.4-180-73.4177.1-114.200111.6S64 V65 K441 Q445 K448S64-E68 WeakPolarHBondContact O-CG 3.48Å; S64-E68 PolarHBondContact O-N 2.66Å; S64-E68 PolarHBondContact OG-OE1 2.82Å; V65-E68 PolarHBondContact O-N 3.24Å; E68-K441 WeakPolarHBondContact O-CD 3.47Å; E68-K441 PolarHBondContact O-NZ 2.85Å; E68-Q445 PolarHBondContact OE2-NE2 2.85Å; E68-K448 IonicContact OE1-NZ 2.69Å; E68-K448 PolarHBondContact OE1-NZ 3.05Å; E68-K448 VanDerWaalsContact OE1-NZ 3.14Å; E68-K448 IonicContact OE2-NZ 3.54Å; E68-K448 PolarHBondContact OE2-NZ 3.14Å
69L97.2Very high93.5Very high0 Ų046.9 Ų46.90%029%0.29CS..Hα-helixtrans-76.3-33.7176.9-68.4-178.1000113.5V65 S67 S71 Y85 V89 K441 F442 M481V65-L69 HydrophobicContact CG2-CD1 3.78Å; V65-L69 HydrophobicContact CG2-CG 4.08Å; V65-L69 VanDerWaalsContact O-CB 3.31Å; V65-L69 WeakPolarHBondContact O-CB 3.46Å; V65-L69 VanDerWaalsContact O-CG 3.27Å; V65-L69 WeakPolarHBondContact O-CG 3.48Å; V65-L69 PolarHBondContact O-N 3.2Å; S67-L69 VanDerWaalsContact C-N 3.32Å; S67-L69 PolarHBondContact O-N 3.04Å; L69-S71 VanDerWaalsContact C-N 3.31Å; L69-Y85 VanDerWaalsContact O-CE1 3.28Å; L69-Y85 WeakPolarHBondContact O-CE1 3.28Å; L69-Y85 PolarHBondContact O-OH 2.87Å; L69-V89 HydrophobicContact CB-CG1 3.78Å; L69-V89 HydrophobicContact CB-CG2 3.92Å; L69-V89 HydrophobicContact CD1-CG1 4.33Å; L69-K441 HydrophobicContact CD2-CB 4.18Å; L69-F442 HydrophobicContact CD1-CE1 3.89Å; L69-F442 HydrophobicContact CD1-CZ 4.02Å; L69-F442 HydrophobicContact CD2-CD1 4.33Å; L69-F442 HydrophobicContact CD2-CD2 3.97Å; L69-F442 HydrophobicContact CD2-CE1 4Å; L69-F442 HydrophobicContact CD2-CE2 3.6Å; L69-F442 HydrophobicContact CD2-CG 4.32Å; L69-F442 HydrophobicContact CD2-CZ 3.61Å; L69-F442 HydrophobicContact CG-CZ 4.38Å; L69-M481 HydrophobicContact CD1-CE 4.3Å; L69-M481 HydrophobicContact CD1-SD 3.8Å
70K95.4Very high93.4Very high90 Ų9044.6 Ų44.639%0.39128%0.281SS..Hα-helixtrans-75.8-19.9173.2-75.3178.7-179.4179.20113.2T66 S67 I72 R82 V89T66-K70 HydrophobicContact CG2-CD 4.46Å; T66-K70 WeakPolarHBondContact O-CB 3.31Å; T66-K70 WeakPolarHBondContact O-CG 3.39Å; T66-K70 PolarHBondContact O-N 3.31Å; S67-K70 PolarHBondContact O-N 3.06Å; K70-I72 PolarHBondContact O-N 2.99Å; K70-R82 PolarHBondContact O-NH2 3.13Å; K70-V89 HydrophobicContact CG-CB 4.24Å; K70-V89 HydrophobicContact CG-CG1 3.93Å
71S94.6Very high93.3Very high79 Ų7941.4 Ų41.455%0.55226%0.257SS*.  trans-6978.8173.8-175.90000110.9S67 L69 K441S67-S71 WeakPolarHBondContact O-CB 3.41Å; S67-S71 PolarHBondContact O-N 3.43Å; L69-S71 VanDerWaalsContact C-N 3.31Å; S71-K441 PolarHBondContact O-NZ 2.75Å
72I94.5Very high93.3Very high20 Ų2042.1 Ų42.110%0.10326%0.259CS..  trans-131.7129.7166.3-49.6174000104.8K70 F77 R82 Y85 A438 L488K70-I72 PolarHBondContact O-N 2.99Å; I72-F77 HydrophobicContact CD1-CD1 4.11Å; I72-F77 HydrophobicContact CG2-CB 3.98Å; I72-F77 HydrophobicContact CG2-CD1 4.28Å; I72-R82 PolarHBondContact O-NH1 2.96Å; I72-Y85 HydrophobicContact CD1-CD1 4.02Å; I72-Y85 HydrophobicContact CD1-CE1 3.41Å; I72-Y85 VanDerWaalsContact CD1-CE1 3.41Å; I72-Y85 HydrophobicContact CG1-CE1 4.42Å; I72-A438 HydrophobicContact CD1-CB 3.43Å; I72-A438 VanDerWaalsContact CD1-CB 3.43Å; I72-A438 HydrophobicContact CG1-CB 3.76Å; I72-L488 HydrophobicContact CD1-CD2 4.4Å
73D89.3Confident93.3Very high91 Ų9146 Ų4649%0.48728%0.279SS..  trans-56.2135.9-178.5166.849.2000112.3G75 S76 F77D73-G75 PolarHBondContact OD1-N 3.41Å; D73-G75 WeakPolarHBondContact OD2-CA 3.47Å; D73-G75 PolarHBondContact OD2-N 3.28Å; D73-G75 VanDerWaalsContact OD2-N 3.09Å; D73-S76 PolarHBondContact O-N 3.19Å; D73-S76 WeakPolarHBondContact OD2-CB 3.21Å; D73-S76 PolarHBondContact OD2-N 3.46Å; D73-S76 PolarHBondContact OD2-OG 3.38Å; D73-F77 PolarHBondContact O-N 3.2Å
74S84.2Confident93.5Very high76 Ų7648 Ų4853%0.53128%0.277SS..THydrogen-bonded Turntrans-75.4-23.3175.254.10000112.4S76 Q78S74-S76 PolarHBondContact O-N 3.11Å; S74-Q78 WeakPolarHBondContact O-CG 3.41Å; S74-Q78 PolarHBondContact O-NE2 3.45Å
75G82.7Confident93.5Very high38 Ų3845.7 Ų45.739%0.39226%0.261SS..THydrogen-bonded Turntrans-63.3-19.3166.500000113.4D73 I429D73-G75 PolarHBondContact OD1-N 3.41Å; D73-G75 WeakPolarHBondContact OD2-CA 3.47Å; D73-G75 PolarHBondContact OD2-N 3.28Å; D73-G75 VanDerWaalsContact OD2-N 3.09Å; G75-I429 WeakPolarHBondContact O-CG2 3.43Å
76S90Very high93.6Very high28 Ų2847.7 Ų47.720%0.19627%0.272CS..THydrogen-bonded Turntrans-112.4-25.6-172-56.10000114.5D73 S74 D431D73-S76 PolarHBondContact O-N 3.19Å; D73-S76 WeakPolarHBondContact OD2-CB 3.21Å; D73-S76 PolarHBondContact OD2-N 3.46Å; D73-S76 PolarHBondContact OD2-OG 3.38Å; S74-S76 PolarHBondContact O-N 3.11Å; S76-D431 PolarHBondContact O-N 3.26Å
77F93.6Very high93.7Very high1 Ų150 Ų500%0.00429%0.289CS..EExtended strand (participates in β ladder)trans-144.4107.7-179.9-170.4-153.5000113.7I72 D73 R81 R82 Y85 I429 I430 L435 L488I72-F77 HydrophobicContact CD1-CD1 4.11Å; I72-F77 HydrophobicContact CG2-CB 3.98Å; I72-F77 HydrophobicContact CG2-CD1 4.28Å; D73-F77 PolarHBondContact O-N 3.2Å; F77-R81 HydrophobicContact CE2-CB 3.78Å; F77-R81 HydrophobicContact CZ-CB 4.12Å; F77-R82 HydrophobicContact CD1-CB 4.27Å; F77-R82 HydrophobicContact CD1-CG 4.37Å; F77-R82 HydrophobicContact CD2-CB 4.08Å; F77-R82 HydrophobicContact CE1-CB 4.22Å; F77-R82 HydrophobicContact CE2-CB 4.04Å; F77-R82 HydrophobicContact CG-CB 4.2Å; F77-R82 HydrophobicContact CG-CG 4.49Å; F77-R82 HydrophobicContact CZ-CB 4.11Å; F77-R82 WeakPolarHBondContact O-CD 3.29Å; F77-R82 WeakPolarHBondContact O-CG 3.44Å; F77-Y85 HydrophobicContact CE1-CD1 4.34Å; F77-Y85 HydrophobicContact CE1-CG 4.28Å; F77-I429 CarbonylContact C-O 3.55Å; F77-I429 VanDerWaalsContact CA-O 3.29Å; F77-I429 WeakPolarHBondContact CA-O 3.46Å; F77-I430 HydrophobicContact CD2-CG1 4.45Å; F77-L435 HydrophobicContact CB-CD2 4.42Å; F77-L435 HydrophobicContact CD1-CD2 3.53Å; F77-L435 HydrophobicContact CD2-CD2 3.83Å; F77-L435 HydrophobicContact CE1-CD2 3.57Å; F77-L435 HydrophobicContact CE2-CD2 3.86Å; F77-L435 HydrophobicContact CG-CD2 3.68Å; F77-L435 HydrophobicContact CZ-CD2 3.74Å; F77-L488 HydrophobicContact CE1-CD2 4Å
78Q90.2Very high93.8Very high71 Ų7149.3 Ų49.333%0.33228%0.277SS..EExtended strand (participates in β ladder)trans-138.2161177-53.2-168.322.800112.3S74 I429S74-Q78 WeakPolarHBondContact O-CG 3.41Å; S74-Q78 PolarHBondContact O-NE2 3.45Å; Q78-I429 HydrophobicContact CB-CB 4.38Å; Q78-I429 HydrophobicContact CB-CG1 4.49Å; Q78-I429 HydrophobicContact CG-CB 4.42Å; Q78-I429 HydrophobicContact CG-CD1 4.36Å; Q78-I429 HydrophobicContact CG-CG1 4.45Å; Q78-I429 PolarHBondContact N-O 2.61Å; Q78-I429 PolarHBondContact O-N 3.29Å
79G86.6Confident93.9Very high11 Ų1146.7 Ų46.711%0.11327%0.265CS..SBendtrans110.7-177.7176.700000113.2R81 R82 D83 E423G79-R81 PolarHBondContact O-N 2.59Å; G79-R81 VanDerWaalsContact O-N 3.14Å; G79-R82 WeakPolarHBondContact O-CA 3.14Å; G79-R82 VanDerWaalsContact O-CB 3.25Å; G79-R82 WeakPolarHBondContact O-CB 3.46Å; G79-R82 PolarHBondContact O-N 2.63Å; G79-D83 PolarHBondContact O-N 2.88Å; G79-E423 VanDerWaalsContact C-OE2 3.3Å; G79-E423 WeakPolarHBondContact CA-OE2 3.49Å
80T94.1Very high93.9Very high43 Ų4347.7 Ų47.726%0.26428%0.275SS..Hα-helixtrans-64.3-19.4-179.262.40000113.6D83 K84 E423 T424T80-D83 WeakPolarHBondContact CA-OD2 3.48Å; T80-K84 VanDerWaalsContact O-CB 3.3Å; T80-K84 WeakPolarHBondContact O-CB 3.44Å; T80-K84 PolarHBondContact O-N 3.08Å; T80-K84 VanDerWaalsContact O-N 3.08Å; T80-E423 WeakPolarHBondContact CB-OE1 3.42Å; T80-E423 VanDerWaalsContact N-CD 3.25Å; T80-E423 PolarHBondContact N-OE1 2.63Å; T80-E423 PolarHBondContact N-OE2 2.97Å; T80-E423 PolarHBondContact OG1-OE1 2.95Å; T80-E423 PolarHBondContact OG1-OE2 2.99Å; T80-T424 WeakPolarHBondContact CG2-OG1 3.27Å; T80-T424 PolarHBondContact OG1-N 3.48Å
81R96Very high94Very high12 Ų1245.2 Ų45.25%0.04527%0.266CS..Hα-helixtrans-65.7-40.2165.5-64.8-48.3-58.9159.9-0.3112.7F77 G79 Y85 V421 K422 E423 I430 V487 T491F77-R81 HydrophobicContact CE2-CB 3.78Å; F77-R81 HydrophobicContact CZ-CB 4.12Å; G79-R81 PolarHBondContact O-N 2.59Å; G79-R81 VanDerWaalsContact O-N 3.14Å; R81-Y85 PolarHBondContact O-N 3.28Å; R81-V421 WeakPolarHBondContact CD-O 3.49Å; R81-V421 HydrophobicContact CG-CG1 4.24Å; R81-K422 VanDerWaalsContact CD-O 3.32Å; R81-K422 WeakPolarHBondContact CD-O 3.45Å; R81-E423 HydrophobicContact CG-CB 4.07Å; R81-E423 WeakPolarHBondContact CG-OE2 3.46Å; R81-E423 PolarHBondContact N-OE2 2.92Å; R81-I430 HydrophobicContact CB-CD1 4.38Å; R81-I430 HydrophobicContact CG-CD1 4.06Å; R81-V487 PolarHBondContact NH2-O 3.33Å; R81-V487 VanDerWaalsContact NH2-O 3.16Å; R81-T491 HydrophobicContact CB-CG2 4.29Å; R81-T491 HydrophobicContact CG-CG2 4.1Å; R81-T491 PolarHBondContact NE-OG1 2.78Å; R81-T491 PolarHBondContact NH2-OG1 3.02Å
82R96.7Very high94.2Very high29 Ų2941.5 Ų41.511%0.10924%0.24CC..Hα-helixtrans-68.8-48.9174.9176.868.3-158.8-124.514.9110.4K70 I72 F77 G79 K84 Y85 D86K70-R82 PolarHBondContact O-NH2 3.13Å; I72-R82 PolarHBondContact O-NH1 2.96Å; F77-R82 HydrophobicContact CD1-CB 4.27Å; F77-R82 HydrophobicContact CD1-CG 4.37Å; F77-R82 HydrophobicContact CD2-CB 4.08Å; F77-R82 HydrophobicContact CE1-CB 4.22Å; F77-R82 HydrophobicContact CE2-CB 4.04Å; F77-R82 HydrophobicContact CG-CB 4.2Å; F77-R82 HydrophobicContact CG-CG 4.49Å; F77-R82 HydrophobicContact CZ-CB 4.11Å; F77-R82 WeakPolarHBondContact O-CD 3.29Å; F77-R82 WeakPolarHBondContact O-CG 3.44Å; G79-R82 WeakPolarHBondContact O-CA 3.14Å; G79-R82 VanDerWaalsContact O-CB 3.25Å; G79-R82 WeakPolarHBondContact O-CB 3.46Å; G79-R82 PolarHBondContact O-N 2.63Å; R82-K84 VanDerWaalsContact C-N 3.27Å; R82-K84 PolarHBondContact O-N 3.23Å; R82-Y85 WeakPolarHBondContact O-CA 3.32Å; R82-Y85 WeakPolarHBondContact O-CB 3.34Å; R82-Y85 PolarHBondContact O-N 3.24Å; R82-D86 IonicContact CZ-OD1 3.93Å; R82-D86 IonicContact CZ-OD2 3.7Å; R82-D86 VanDerWaalsContact NE-CG 3.33Å; R82-D86 IonicContact NE-OD1 3.9Å; R82-D86 PolarHBondContact NE-OD1 3.43Å; R82-D86 IonicContact NE-OD2 2.74Å; R82-D86 PolarHBondContact NE-OD2 2.85Å; R82-D86 IonicContact NH2-OD1 3.38Å; R82-D86 PolarHBondContact NH2-OD1 3.23Å; R82-D86 IonicContact NH2-OD2 2.56Å; R82-D86 PolarHBondContact NH2-OD2 3.33Å; R82-D86 PolarHBondContact O-N 3.14Å
83D97.1Very high94.3Very high99 Ų9941.6 Ų41.653%0.52924%0.244SC..Hα-helixtrans-54.7-44.2177.8-57.8-31.1000111.7G79 T80 Y85 D86 S87G79-D83 PolarHBondContact O-N 2.88Å; T80-D83 WeakPolarHBondContact CA-OD2 3.48Å; D83-Y85 VanDerWaalsContact C-N 3.31Å; D83-Y85 PolarHBondContact O-N 2.9Å; D83-D86 PolarHBondContact O-N 3.5Å; D83-S87 VanDerWaalsContact O-CB 3.26Å; D83-S87 WeakPolarHBondContact O-CB 3.49Å; D83-S87 PolarHBondContact O-N 2.61Å
84K98Very high94.7Very high122 Ų12242.8 Ų42.853%0.5324%0.244SC..Hα-helixtrans-66.9-30.5177.4-176.5158.9-173.7154.10113.3T80 R82 K88 V487T80-K84 VanDerWaalsContact O-CB 3.3Å; T80-K84 WeakPolarHBondContact O-CB 3.44Å; T80-K84 PolarHBondContact O-N 3.08Å; T80-K84 VanDerWaalsContact O-N 3.08Å; R82-K84 VanDerWaalsContact C-N 3.27Å; R82-K84 PolarHBondContact O-N 3.23Å; K84-K88 PolarHBondContact O-N 3.24Å; K84-V487 HydrophobicContact CG-CG1 4.25Å
85Y98.4Very high95.4Very high0 Ų042.1 Ų42.10%023%0.232CC..Hα-helixtrans-73.6-49.8174.3172-97000111.3L69 I72 F77 R81 R82 D83 S87 K88 V89 F442 T484 V487 L488L69-Y85 VanDerWaalsContact O-CE1 3.28Å; L69-Y85 WeakPolarHBondContact O-CE1 3.28Å; L69-Y85 PolarHBondContact O-OH 2.87Å; I72-Y85 HydrophobicContact CD1-CD1 4.02Å; I72-Y85 HydrophobicContact CD1-CE1 3.41Å; I72-Y85 VanDerWaalsContact CD1-CE1 3.41Å; I72-Y85 HydrophobicContact CG1-CE1 4.42Å; F77-Y85 HydrophobicContact CE1-CD1 4.34Å; F77-Y85 HydrophobicContact CE1-CG 4.28Å; R81-Y85 PolarHBondContact O-N 3.28Å; R82-Y85 WeakPolarHBondContact O-CA 3.32Å; R82-Y85 WeakPolarHBondContact O-CB 3.34Å; R82-Y85 PolarHBondContact O-N 3.24Å; D83-Y85 VanDerWaalsContact C-N 3.31Å; D83-Y85 PolarHBondContact O-N 2.9Å; Y85-S87 VanDerWaalsContact C-N 3.29Å; Y85-S87 PolarHBondContact O-N 2.99Å; Y85-K88 CarbonylContact O-C 3.52Å; Y85-K88 WeakPolarHBondContact O-CA 3.4Å; Y85-K88 PolarHBondContact O-N 3.28Å; Y85-V89 HydrophobicContact CD1-CG2 4.23Å; Y85-V89 HydrophobicContact CE1-CG2 3.69Å; Y85-V89 HydrophobicContact CE2-CG2 4.1Å; Y85-V89 PolarHBondContact O-N 2.68Å; Y85-F442 HydrophobicContact CE2-CE2 4.31Å; Y85-F442 HydrophobicContact CE2-CZ 4.04Å; Y85-T484 HydrophobicContact CD2-CG2 4.11Å; Y85-T484 HydrophobicContact CE2-CG2 3.86Å; Y85-V487 HydrophobicContact CD2-CB 4.41Å; Y85-L488 HydrophobicContact CD2-CD1 4.33Å; Y85-L488 HydrophobicContact CD2-CD2 3.59Å; Y85-L488 HydrophobicContact CD2-CG 3.74Å; Y85-L488 HydrophobicContact CE2-CD1 3.68Å; Y85-L488 HydrophobicContact CE2-CD2 3.7Å; Y85-L488 HydrophobicContact CE2-CG 3.62Å; Y85-L488 HydrophobicContact CG-CD2 4.08Å
86D97.8Very high96.1Very high42 Ų4240.4 Ų40.423%0.22521%0.214CC..Hα-helixtrans-63.8-35.8179.5-70.3-42.5000112.1R82 D83 K88 V89 G90R82-D86 IonicContact CZ-OD1 3.93Å; R82-D86 IonicContact CZ-OD2 3.7Å; R82-D86 VanDerWaalsContact NE-CG 3.33Å; R82-D86 IonicContact NE-OD1 3.9Å; R82-D86 PolarHBondContact NE-OD1 3.43Å; R82-D86 IonicContact NE-OD2 2.74Å; R82-D86 PolarHBondContact NE-OD2 2.85Å; R82-D86 IonicContact NH2-OD1 3.38Å; R82-D86 PolarHBondContact NH2-OD1 3.23Å; R82-D86 IonicContact NH2-OD2 2.56Å; R82-D86 PolarHBondContact NH2-OD2 3.33Å; R82-D86 PolarHBondContact O-N 3.14Å; D83-D86 PolarHBondContact O-N 3.5Å; D86-K88 PolarHBondContact O-N 3.4Å; D86-V89 PolarHBondContact O-N 2.64Å; D86-G90 PolarHBondContact O-N 3.16Å
87S98.3Very high96.4Very high74 Ų7442.6 Ų42.652%0.51723%0.226SC..Hα-helixtrans-59.7-33.1170.3-179.10000112.2D83 Y85 G90 D91D83-S87 VanDerWaalsContact O-CB 3.26Å; D83-S87 WeakPolarHBondContact O-CB 3.49Å; D83-S87 PolarHBondContact O-N 2.61Å; Y85-S87 VanDerWaalsContact C-N 3.29Å; Y85-S87 PolarHBondContact O-N 2.99Å; S87-G90 PolarHBondContact O-N 2.69Å; S87-D91 PolarHBondContact O-N 3.15Å
88K98.3Very high96.6Very high55 Ų5546.4 Ų46.424%0.23924%0.244CC..Hα-helixtrans-83.4-34178.9-83.6-50.3-162.2177.50113.8K84 Y85 D86 G90 D91 V92 E480 T484 V487K84-K88 PolarHBondContact O-N 3.24Å; Y85-K88 CarbonylContact O-C 3.52Å; Y85-K88 WeakPolarHBondContact O-CA 3.4Å; Y85-K88 PolarHBondContact O-N 3.28Å; D86-K88 PolarHBondContact O-N 3.4Å; K88-G90 PolarHBondContact O-N 3.06Å; K88-D91 HydrophobicContact CD-CB 4.16Å; K88-D91 VanDerWaalsContact CD-OD2 3.28Å; K88-D91 WeakPolarHBondContact CD-OD2 3.4Å; K88-D91 WeakPolarHBondContact CE-OD2 3.33Å; K88-D91 IonicContact NZ-OD2 3.37Å; K88-D91 PolarHBondContact NZ-OD2 2.88Å; K88-D91 PolarHBondContact O-N 2.78Å; K88-V92 PolarHBondContact O-N 3.32Å; K88-E480 WeakPolarHBondContact CD-OE1 3.48Å; K88-E480 VanDerWaalsContact CE-OE1 3.28Å; K88-E480 WeakPolarHBondContact CE-OE1 3.49Å; K88-E480 IonicContact NZ-OE1 3.53Å; K88-E480 PolarHBondContact NZ-OE1 2.9Å; K88-T484 HydrophobicContact CB-CG2 3.86Å; K88-T484 PolarHBondContact O-OG1 2.85Å; K88-V487 HydrophobicContact CB-CG2 4.44Å; K88-V487 HydrophobicContact CG-CG2 4.21Å
89V98.1Very high97Very high0 Ų043.4 Ų43.40%023%0.23CC..Hα-helixtrans-60.1-31.5162.9-1740000110.8T66 L69 K70 Y85 D86 D91 V92 A93 T484T66-V89 HydrophobicContact CG2-CG1 4.32Å; L69-V89 HydrophobicContact CB-CG1 3.78Å; L69-V89 HydrophobicContact CB-CG2 3.92Å; L69-V89 HydrophobicContact CD1-CG1 4.33Å; K70-V89 HydrophobicContact CG-CB 4.24Å; K70-V89 HydrophobicContact CG-CG1 3.93Å; Y85-V89 HydrophobicContact CD1-CG2 4.23Å; Y85-V89 HydrophobicContact CE1-CG2 3.69Å; Y85-V89 HydrophobicContact CE2-CG2 4.1Å; Y85-V89 PolarHBondContact O-N 2.68Å; D86-V89 PolarHBondContact O-N 2.64Å; V89-D91 VanDerWaalsContact C-N 3.35Å; V89-V92 PolarHBondContact O-N 2.77Å; V89-A93 PolarHBondContact O-N 2.76Å; V89-A93 VanDerWaalsContact O-N 3.15Å; V89-T484 HydrophobicContact CG2-CG2 3.8Å
90G97.7Very high97.5Very high21 Ų2143.4 Ų43.422%0.21623%0.229CC..Hα-helixtrans-64.8-30169.800000115D86 S87 K88 K94D86-G90 PolarHBondContact O-N 3.16Å; S87-G90 PolarHBondContact O-N 2.69Å; K88-G90 PolarHBondContact O-N 3.06Å; G90-K94 WeakPolarHBondContact O-CE 3.21Å; G90-K94 WeakPolarHBondContact O-CG 3.49Å
91D98.3Very high97.7Very high38 Ų3845.2 Ų45.220%0.20324%0.237CC..Hα-helixtrans-78.6-36173.5-73.1-18.7000111.9S87 K88 V89 A93 K94 K95 E480S87-D91 PolarHBondContact O-N 3.15Å; K88-D91 HydrophobicContact CD-CB 4.16Å; K88-D91 VanDerWaalsContact CD-OD2 3.28Å; K88-D91 WeakPolarHBondContact CD-OD2 3.4Å; K88-D91 WeakPolarHBondContact CE-OD2 3.33Å; K88-D91 IonicContact NZ-OD2 3.37Å; K88-D91 PolarHBondContact NZ-OD2 2.88Å; K88-D91 PolarHBondContact O-N 2.78Å; V89-D91 VanDerWaalsContact C-N 3.35Å; D91-A93 VanDerWaalsContact C-N 3.32Å; D91-A93 PolarHBondContact O-N 3.26Å; D91-K94 WeakPolarHBondContact O-CB 3.29Å; D91-K94 PolarHBondContact O-N 3.37Å; D91-K94 IonicContact OD1-NZ 2.64Å; D91-K94 PolarHBondContact OD1-NZ 3.08Å; D91-K95 PolarHBondContact O-N 3.34Å; D91-K95 VanDerWaalsContact O-N 3.13Å; D91-E480 HydrophobicContact CB-CG 3.87Å
92V98.2Very high97.8Very high0 Ų048.9 Ų48.90%025%0.254CS..Hα-helixtrans-56.7-45.4171.9172.20000111.3K88 V89 K94 K95 L96 F477 E480 M481 T484K88-V92 PolarHBondContact O-N 3.32Å; V89-V92 PolarHBondContact O-N 2.77Å; V92-K94 PolarHBondContact O-N 2.74Å; V92-K95 PolarHBondContact O-N 3.44Å; V92-K95 VanDerWaalsContact O-N 3.15Å; V92-L96 PolarHBondContact O-N 3.39Å; V92-F477 HydrophobicContact CG1-CD2 3.84Å; V92-F477 HydrophobicContact CG1-CE2 3.52Å; V92-E480 HydrophobicContact CG2-CB 4.24Å; V92-E480 HydrophobicContact CG2-CG 4.14Å; V92-M481 HydrophobicContact CG1-CG 4.24Å; V92-M481 HydrophobicContact CG1-SD 3.71Å; V92-M481 HydrophobicContact CG2-SD 4.22Å; V92-T484 HydrophobicContact CG2-CG2 4.49Å; V92-T484 VanDerWaalsContact CG2-OG1 3.29Å; V92-T484 WeakPolarHBondContact CG2-OG1 3.41Å
93A96.9Very high97.8Very high22 Ų2247.7 Ų47.718%0.18225%0.249CC..Hα-helixtrans-58.4-44.8177.300000112.3T66 V89 D91 K95 L96 T97T66-A93 HydrophobicContact CG2-CB 4.22Å; V89-A93 PolarHBondContact O-N 2.76Å; V89-A93 VanDerWaalsContact O-N 3.15Å; D91-A93 VanDerWaalsContact C-N 3.32Å; D91-A93 PolarHBondContact O-N 3.26Å; A93-K95 VanDerWaalsContact C-N 3.3Å; A93-K95 PolarHBondContact O-N 3.08Å; A93-L96 PolarHBondContact O-N 3.02Å; A93-L96 VanDerWaalsContact O-N 3.14Å; A93-T97 PolarHBondContact O-N 2.97Å; A93-T97 VanDerWaalsContact O-N 3.1Å; A93-T97 PolarHBondContact O-OG1 2.88Å
94K97.9Very high97.9Very high116 Ų11647.9 Ų47.950%0.50425%0.247SC..Hα-helixtrans-59-40.3176-62.6166.1-161.1165.50111.7G90 D91 V92 L96 T97 E98G90-K94 WeakPolarHBondContact O-CE 3.21Å; G90-K94 WeakPolarHBondContact O-CG 3.49Å; D91-K94 WeakPolarHBondContact O-CB 3.29Å; D91-K94 PolarHBondContact O-N 3.37Å; D91-K94 IonicContact OD1-NZ 2.64Å; D91-K94 PolarHBondContact OD1-NZ 3.08Å; V92-K94 PolarHBondContact O-N 2.74Å; K94-L96 VanDerWaalsContact C-N 3.26Å; K94-L96 PolarHBondContact O-N 2.9Å; K94-T97 WeakPolarHBondContact O-CB 3.46Å; K94-T97 PolarHBondContact O-N 3.41Å; K94-T97 VanDerWaalsContact O-N 3.17Å; K94-E98 WeakPolarHBondContact O-CG 3.35Å; K94-E98 PolarHBondContact O-N 3.05Å
95K98.2Very high97.9Very high63 Ų6347.4 Ų47.427%0.27425%0.246SC..Hα-helixtrans-68.4-21.7178.9-66.9-45.5-169.9-167.90114.2D91 V92 A93 E98 L99 F477 E480D91-K95 PolarHBondContact O-N 3.34Å; D91-K95 VanDerWaalsContact O-N 3.13Å; V92-K95 PolarHBondContact O-N 3.44Å; V92-K95 VanDerWaalsContact O-N 3.15Å; A93-K95 VanDerWaalsContact C-N 3.3Å; A93-K95 PolarHBondContact O-N 3.08Å; K95-E98 WeakPolarHBondContact CD-OE1 3.41Å; K95-E98 WeakPolarHBondContact CD-OE2 3.35Å; K95-E98 IonicContact NZ-OE1 2.78Å; K95-E98 PolarHBondContact NZ-OE1 3.3Å; K95-E98 IonicContact NZ-OE2 2.63Å; K95-E98 PolarHBondContact NZ-OE2 3.43Å; K95-L99 WeakPolarHBondContact O-CB 3.4Å; K95-L99 PolarHBondContact O-N 2.95Å; K95-F477 HydrophobicContact CB-CB 4.25Å; K95-E480 HydrophobicContact CG-CB 4.13Å; K95-E480 HydrophobicContact CG-CG 4.45Å
96L97.6Very high97.8Very high2 Ų247.5 Ų47.51%0.0125%0.247CC..Hα-helixtrans-83.3-31.9169.1-68.2176.3000112.7L58 F61 S62 V65 V92 A93 K94 L99 A100 F449 F477L58-L96 HydrophobicContact CD1-CD2 4.1Å; F61-L96 HydrophobicContact CD1-CD1 3.98Å; F61-L96 HydrophobicContact CE1-CD1 3.85Å; F61-L96 HydrophobicContact CE1-CD2 4.32Å; S62-L96 WeakPolarHBondContact OG-CB 3.48Å; V65-L96 HydrophobicContact CG1-CD1 3.61Å; V92-L96 PolarHBondContact O-N 3.39Å; A93-L96 PolarHBondContact O-N 3.02Å; A93-L96 VanDerWaalsContact O-N 3.14Å; K94-L96 VanDerWaalsContact C-N 3.26Å; K94-L96 PolarHBondContact O-N 2.9Å; L96-L99 HydrophobicContact CD2-CD2 4.39Å; L96-L99 PolarHBondContact O-N 3.37Å; L96-A100 WeakPolarHBondContact O-CB 3.46Å; L96-A100 PolarHBondContact O-N 2.64Å; L96-F449 HydrophobicContact CD2-CD2 4.03Å; L96-F449 HydrophobicContact CD2-CE2 3.75Å; L96-F477 HydrophobicContact CD1-CD2 3.91Å; L96-F477 HydrophobicContact CD1-CE2 3.64Å; L96-F477 HydrophobicContact CD1-CZ 4.4Å; L96-F477 HydrophobicContact CD2-CB 4.1Å; L96-F477 HydrophobicContact CD2-CD1 4.23Å; L96-F477 HydrophobicContact CD2-CD2 3.47Å; L96-F477 VanDerWaalsContact CD2-CD2 3.47Å; L96-F477 HydrophobicContact CD2-CE2 3.86Å; L96-F477 HydrophobicContact CD2-CG 3.66Å; L96-F477 HydrophobicContact CD2-CZ 4.4Å; L96-F477 HydrophobicContact CG-CD2 3.49Å; L96-F477 VanDerWaalsContact CG-CD2 3.49Å; L96-F477 HydrophobicContact CG-CE2 3.79Å; L96-F477 HydrophobicContact CG-CG 4.18Å
97T97.1Very high97.8Very high73 Ų7346.6 Ų46.645%0.44824%0.241SC..Hα-helixtrans-62.5-53168.6-550000110.9A93 K94 L99 A100 D101A93-T97 PolarHBondContact O-N 2.97Å; A93-T97 VanDerWaalsContact O-N 3.1Å; A93-T97 PolarHBondContact O-OG1 2.88Å; K94-T97 WeakPolarHBondContact O-CB 3.46Å; K94-T97 PolarHBondContact O-N 3.41Å; K94-T97 VanDerWaalsContact O-N 3.17Å; T97-L99 PolarHBondContact O-N 3.01Å; T97-A100 PolarHBondContact O-N 3.11Å; T97-D101 PolarHBondContact O-N 3.35Å
98E97.4Very high97.8Very high81 Ų8147.2 Ų47.238%0.37924%0.236SC..Hα-helixtrans-56-21.1175.9-72.8176.1-144.900114.2K94 K95 K102K94-E98 WeakPolarHBondContact O-CG 3.35Å; K94-E98 PolarHBondContact O-N 3.05Å; K95-E98 WeakPolarHBondContact CD-OE1 3.41Å; K95-E98 WeakPolarHBondContact CD-OE2 3.35Å; K95-E98 IonicContact NZ-OE1 2.78Å; K95-E98 PolarHBondContact NZ-OE1 3.3Å; K95-E98 IonicContact NZ-OE2 2.63Å; K95-E98 PolarHBondContact NZ-OE2 3.43Å; E98-K102 WeakPolarHBondContact O-CD 3.26Å; E98-K102 WeakPolarHBondContact O-CE 3.29Å; E98-K102 WeakPolarHBondContact O-CG 3.41Å
99L97.7Very high97.8Very high9 Ų947 Ų475%0.04724%0.24CC..Hα-helixtrans-87.3-44.5175.9-167.375.3000111.4L58 K95 L96 T97 D101 K102 H103 F449 V472 S473L58-L99 HydrophobicContact CD1-CD2 4.22Å; L58-L99 HydrophobicContact CD2-CD2 4.16Å; L58-L99 HydrophobicContact CD2-CG 4.35Å; K95-L99 WeakPolarHBondContact O-CB 3.4Å; K95-L99 PolarHBondContact O-N 2.95Å; L96-L99 HydrophobicContact CD2-CD2 4.39Å; L96-L99 PolarHBondContact O-N 3.37Å; T97-L99 PolarHBondContact O-N 3.01Å; L99-D101 VanDerWaalsContact C-N 3.34Å; L99-D101 PolarHBondContact O-N 3.36Å; L99-K102 PolarHBondContact O-N 2.9Å; L99-H103 PolarHBondContact O-CD2 2.89Å; L99-H103 PolarHBondContact O-N 3.27Å; L99-H103 VanDerWaalsContact O-N 3.14Å; L99-F449 HydrophobicContact CD2-CE2 3.51Å; L99-F449 HydrophobicContact CD2-CZ 3.56Å; L99-V472 HydrophobicContact CD1-CG1 3.55Å; L99-V472 HydrophobicContact CG-CG1 4.2Å; L99-S473 WeakPolarHBondContact CD1-O 3.32Å
100A97.8Very high97.8Very high11 Ų1147 Ų479%0.09124%0.24CC..Hα-helixtrans-60.4-42.4175.400000111.7L55 L58 I59 L96 T97 K102 H103 Q104L55-A100 HydrophobicContact CD1-CB 3.78Å; L58-A100 HydrophobicContact CD2-CB 4.11Å; I59-A100 HydrophobicContact CG1-CB 4.42Å; L96-A100 WeakPolarHBondContact O-CB 3.46Å; L96-A100 PolarHBondContact O-N 2.64Å; T97-A100 PolarHBondContact O-N 3.11Å; A100-K102 PolarHBondContact O-N 3.27Å; A100-H103 PolarHBondContact O-N 3.15Å; A100-H103 VanDerWaalsContact O-N 3.17Å; A100-Q104 PolarHBondContact O-N 3.39Å
101D97.8Very high97.8Very high80 Ų8048.5 Ų48.543%0.42824%0.243SC..Hα-helixtrans-57.3-46.2177.8-60.6-26.2000111.2T97 L99 H103 Q104 E105T97-D101 PolarHBondContact O-N 3.35Å; L99-D101 VanDerWaalsContact C-N 3.34Å; L99-D101 PolarHBondContact O-N 3.36Å; D101-H103 PolarHBondContact O-N 3.08Å; D101-Q104 CarbonylContact O-C 3.58Å; D101-Q104 WeakPolarHBondContact O-CA 3.46Å; D101-Q104 WeakPolarHBondContact O-CB 3.3Å; D101-Q104 PolarHBondContact O-N 3.41Å; D101-Q104 VanDerWaalsContact O-N 3.1Å; D101-E105 PolarHBondContact O-N 3.34Å
102K98.1Very high97.8Very high90 Ų9052.3 Ų52.339%0.39126%0.257SS..Hα-helixtrans-66.1-35.9177.1-67.7171.5-174.2172.20113.2E98 L99 A100 Q104 E105 N106 V472E98-K102 WeakPolarHBondContact O-CD 3.26Å; E98-K102 WeakPolarHBondContact O-CE 3.29Å; E98-K102 WeakPolarHBondContact O-CG 3.41Å; L99-K102 PolarHBondContact O-N 2.9Å; A100-K102 PolarHBondContact O-N 3.27Å; K102-Q104 VanDerWaalsContact C-N 3.29Å; K102-E105 PolarHBondContact O-N 3.31Å; K102-N106 PolarHBondContact O-N 2.67Å; K102-N106 VanDerWaalsContact O-N 3.08Å; K102-V472 HydrophobicContact CB-CG1 3.87Å; K102-V472 HydrophobicContact CB-CG2 3.89Å; K102-V472 HydrophobicContact CD-CG1 4.4Å
103H98Very high97.8Very high3 Ų355.2 Ų55.21%0.01427%0.27CS..Hα-helixtrans-64.9-35.9172.4-74.1-59.4000111.3L55 L99 A100 D101 N106 Q107 F456 Y460 V472L55-H103 HydrophobicContact CD1-CB 4.15Å; L99-H103 PolarHBondContact O-CD2 2.89Å; L99-H103 PolarHBondContact O-N 3.27Å; L99-H103 VanDerWaalsContact O-N 3.14Å; A100-H103 PolarHBondContact O-N 3.15Å; A100-H103 VanDerWaalsContact O-N 3.17Å; D101-H103 PolarHBondContact O-N 3.08Å; H103-N106 PolarHBondContact O-N 2.95Å; H103-Q107 WeakPolarHBondContact O-CG 3.35Å; H103-Q107 PolarHBondContact O-N 3.47Å; H103-F456 HydrophobicContact CB-CE1 3.85Å; H103-F456 HydrophobicContact CB-CZ 4.12Å; H103-F456 AromaticContact CD2-CE2 3.97Å; H103-F456 AromaticContact CD2-CZ 3.81Å; H103-F456 AromaticContact CE1-CD1 3.44Å; H103-F456 VanDerWaalsContact CE1-CD1 3.44Å; H103-F456 WeakPolarHBondContact CE1-CD1 3.38Å; H103-F456 AromaticContact CE1-CD2 3.78Å; H103-F456 AromaticContact CE1-CE1 3.89Å; H103-F456 AromaticContact CE1-CG 3.37Å; H103-F456 WeakPolarHBondContact CE1-CG 3.38Å; H103-F456 AromaticContact CG-CD1 3.86Å; H103-F456 AromaticContact CG-CE1 3.52Å; H103-F456 AromaticContact CG-CZ 3.74Å; H103-F456 AromaticContact ND1-CD1 3.26Å; H103-F456 VanDerWaalsContact ND1-CD1 3.26Å; H103-F456 WeakPolarHBondContact ND1-CD1 3.14Å; H103-F456 AromaticContact ND1-CE1 3.44Å; H103-F456 WeakPolarHBondContact ND1-CE1 3.49Å; H103-F456 AromaticContact ND1-CG 3.74Å; H103-F456 AromaticContact NE2-CD2 3.76Å; H103-F456 AromaticContact NE2-CE2 3.9Å; H103-F456 AromaticContact NE2-CG 3.86Å; H103-Y460 AromaticContact CE1-CE2 3.97Å; H103-Y460 AromaticContact ND1-CE2 3.68Å; H103-Y460 AromaticContact ND1-CZ 3.76Å; H103-Y460 PolarHBondContact ND1-OH 2.69Å; H103-V472 VanDerWaalsContact CE1-CG1 3.47Å; H103-V472 WeakPolarHBondContact CE1-CG1 3.37Å; H103-V472 WeakPolarHBondContact NE2-CG1 3.2Å
104Q97.6Very high97.9Very high103 Ų10354.6 Ų54.648%0.48126%0.264SS..Hα-helixtrans-68.2-42.9173.2-168.9-177-60.900112.3L55 A100 D101 K102 N106 Q107 E108L55-Q104 HydrophobicContact CD2-CB 4.32Å; A100-Q104 PolarHBondContact O-N 3.39Å; D101-Q104 CarbonylContact O-C 3.58Å; D101-Q104 WeakPolarHBondContact O-CA 3.46Å; D101-Q104 WeakPolarHBondContact O-CB 3.3Å; D101-Q104 PolarHBondContact O-N 3.41Å; D101-Q104 VanDerWaalsContact O-N 3.1Å; K102-Q104 VanDerWaalsContact C-N 3.29Å; Q104-N106 PolarHBondContact O-N 3.17Å; Q104-Q107 CarbonylContact O-C 3.56Å; Q104-Q107 WeakPolarHBondContact O-CA 3.34Å; Q104-Q107 WeakPolarHBondContact O-CB 3.37Å; Q104-Q107 PolarHBondContact O-N 3.43Å; Q104-E108 PolarHBondContact O-N 2.88Å
105E98Very high97.9Very high112 Ų11252.6 Ų52.652%0.52326%0.261SS..Hα-helixtrans-56.1-39.5172.8-70.7175.717300112D101 K102 E108 T109D101-E105 PolarHBondContact O-N 3.34Å; K102-E105 PolarHBondContact O-N 3.31Å; E105-E108 PolarHBondContact O-N 2.95Å; E105-T109 PolarHBondContact O-N 3.43Å; E105-T109 PolarHBondContact O-OG1 3.05Å
106N97.8Very high97.9Very high3 Ų354 Ų542%0.01627%0.269CS..Hα-helixtrans-67.4-37.7172.3-82.7-8.2000112.6K102 H103 Q104 T109 I110 Y460 V469 S470 V472K102-N106 PolarHBondContact O-N 2.67Å; K102-N106 VanDerWaalsContact O-N 3.08Å; H103-N106 PolarHBondContact O-N 2.95Å; Q104-N106 PolarHBondContact O-N 3.17Å; N106-T109 WeakPolarHBondContact O-CB 3.43Å; N106-T109 PolarHBondContact O-N 2.97Å; N106-I110 WeakPolarHBondContact O-CG1 3.32Å; N106-I110 PolarHBondContact O-N 3.41Å; N106-Y460 HydrophobicContact CB-CE1 3.98Å; N106-Y460 WeakPolarHBondContact CB-OH 3.42Å; N106-Y460 PolarHBondContact ND2-OH 3.14Å; N106-V469 HydrophobicContact CB-CB 4.38Å; N106-V469 HydrophobicContact CB-CG1 4.47Å; N106-S470 PolarHBondContact ND2-O 3.23Å; N106-S470 PolarHBondContact ND2-OG 3.05Å; N106-S470 WeakPolarHBondContact OD1-CB 3.25Å; N106-S470 PolarHBondContact OD1-N 2.99Å; N106-S470 PolarHBondContact OD1-OG 2.92Å; N106-V472 VanDerWaalsContact ND2-CG2 3.34Å; N106-V472 WeakPolarHBondContact ND2-CG2 3.4Å
107Q97.5Very high97.9Very high22 Ų2254.9 Ų54.910%0.10327%0.273CS..Hα-helixtrans-63.8-40.6172.7-69.8-164.8-60.300112.1K48 L51 T52 H103 Q104 T109 I110 D111K48-Q107 PolarHBondContact O-NE2 2.91Å; L51-Q107 HydrophobicContact CB-CG 4.2Å; L51-Q107 HydrophobicContact CD1-CG 4.48Å; T52-Q107 PolarHBondContact OG1-NE2 3.46Å; H103-Q107 WeakPolarHBondContact O-CG 3.35Å; H103-Q107 PolarHBondContact O-N 3.47Å; Q104-Q107 CarbonylContact O-C 3.56Å; Q104-Q107 WeakPolarHBondContact O-CA 3.34Å; Q104-Q107 WeakPolarHBondContact O-CB 3.37Å; Q104-Q107 PolarHBondContact O-N 3.43Å; Q107-T109 VanDerWaalsContact C-N 3.28Å; Q107-T109 PolarHBondContact O-N 3.35Å; Q107-I110 PolarHBondContact O-N 3.1Å; Q107-D111 PolarHBondContact O-N 2.91Å
108E97.7Very high97.9Very high88 Ų8855.4 Ų55.441%0.41127%0.27SS..Hα-helixtrans-62.9-36.1174-68.6-171.1-164.500112.4Q104 E105 D111 K112Q104-E108 PolarHBondContact O-N 2.88Å; E105-E108 PolarHBondContact O-N 2.95Å; E108-D111 PolarHBondContact O-N 2.96Å; E108-K112 WeakPolarHBondContact O-CB 3.34Å; E108-K112 VanDerWaalsContact O-CD 3.26Å; E108-K112 WeakPolarHBondContact O-CD 2.81Å; E108-K112 WeakPolarHBondContact O-CG 3.17Å; E108-K112 PolarHBondContact O-N 2.69Å; E108-K112 IonicContact OE2-NZ 2.78Å; E108-K112 PolarHBondContact OE2-NZ 2.68Å
109T98.2Very high98Very high51 Ų5157.1 Ų57.131%0.31328%0.278SS..Hα-helixtrans-65.6-41176.2-58.80000110.9E105 N106 Q107 K113 V467E105-T109 PolarHBondContact O-N 3.43Å; E105-T109 PolarHBondContact O-OG1 3.05Å; N106-T109 WeakPolarHBondContact O-CB 3.43Å; N106-T109 PolarHBondContact O-N 2.97Å; Q107-T109 VanDerWaalsContact C-N 3.28Å; Q107-T109 PolarHBondContact O-N 3.35Å; T109-K113 PolarHBondContact O-N 3.42Å; T109-K113 VanDerWaalsContact O-N 3.14Å; T109-V467 HydrophobicContact CG2-CG2 4.21Å
110I98.2Very high97.9Very high0 Ų059 Ų590%029%0.287CS..Hα-helixtrans-64.5-41.5172.1-68.1162.8000111L44 K48 L51 N106 Q107 K113 L114 Y460 I463 V467 V469L44-I110 HydrophobicContact CD2-CG2 4.35Å; K48-I110 HydrophobicContact CB-CG2 4.43Å; L51-I110 HydrophobicContact CD1-CD1 3.31Å; N106-I110 WeakPolarHBondContact O-CG1 3.32Å; N106-I110 PolarHBondContact O-N 3.41Å; Q107-I110 PolarHBondContact O-N 3.1Å; I110-K113 PolarHBondContact O-N 2.9Å; I110-L114 VanDerWaalsContact O-CB 3.3Å; I110-L114 WeakPolarHBondContact O-CB 3.45Å; I110-L114 PolarHBondContact O-N 3.4Å; I110-Y460 HydrophobicContact CD1-CE1 4.39Å; I110-I463 HydrophobicContact CD1-CD1 3.69Å; I110-I463 HydrophobicContact CG1-CD1 4.1Å; I110-V467 HydrophobicContact CG1-CG1 4.1Å; I110-V469 HydrophobicContact CD1-CG1 4.36Å; I110-V469 HydrophobicContact CG1-CG1 4.14Å
111D98Very high97.9Very high52 Ų5258.9 Ų58.928%0.27829%0.286SS..Hα-helixtrans-66.9-40.2178.3-94.4-22.5000113.3K48 Q107 E108 K113 L114 T115K48-D111 WeakPolarHBondContact CD-OD1 3.48Å; K48-D111 VanDerWaalsContact CE-OD1 3.29Å; K48-D111 WeakPolarHBondContact CE-OD1 3.45Å; K48-D111 VanDerWaalsContact CE-OD2 3.32Å; K48-D111 WeakPolarHBondContact CE-OD2 3.35Å; K48-D111 IonicContact NZ-OD1 3.48Å; K48-D111 PolarHBondContact NZ-OD1 2.92Å; K48-D111 IonicContact NZ-OD2 3.57Å; K48-D111 PolarHBondContact NZ-OD2 3.5Å; Q107-D111 PolarHBondContact O-N 2.91Å; E108-D111 PolarHBondContact O-N 2.96Å; D111-K113 VanDerWaalsContact C-N 3.28Å; D111-K113 PolarHBondContact O-N 3.26Å; D111-L114 PolarHBondContact O-N 3.01Å; D111-T115 WeakPolarHBondContact O-CB 3.46Å; D111-T115 PolarHBondContact O-N 3.3Å; D111-T115 PolarHBondContact O-OG1 3.41Å
112K98.2Very high97.8Very high118 Ų11861.2 Ų61.251%0.51329%0.294SS..Hα-helixtrans-56.7-46.2171.2-71154.4-165157.20109.5E108 T115 E116E108-K112 WeakPolarHBondContact O-CB 3.34Å; E108-K112 VanDerWaalsContact O-CD 3.26Å; E108-K112 WeakPolarHBondContact O-CD 2.81Å; E108-K112 WeakPolarHBondContact O-CG 3.17Å; E108-K112 PolarHBondContact O-N 2.69Å; E108-K112 IonicContact OE2-NZ 2.78Å; E108-K112 PolarHBondContact OE2-NZ 2.68Å; K112-T115 PolarHBondContact O-N 2.95Å; K112-E116 PolarHBondContact O-N 3.23Å
113K98.3Very high97.7Very high61 Ų6163.3 Ų63.327%0.26530%0.3SS..Hα-helixtrans-67.8-39.8178.1-16652.1164.6-172.10113.6L44 T109 I110 D111 T115 E116 L117 V467L44-K113 HydrophobicContact CD1-CG 4.41Å; T109-K113 PolarHBondContact O-N 3.42Å; T109-K113 VanDerWaalsContact O-N 3.14Å; I110-K113 PolarHBondContact O-N 2.9Å; D111-K113 VanDerWaalsContact C-N 3.28Å; D111-K113 PolarHBondContact O-N 3.26Å; K113-T115 VanDerWaalsContact C-N 3.31Å; K113-T115 PolarHBondContact O-N 3.09Å; K113-E116 VanDerWaalsContact CD-OE2 3.32Å; K113-E116 WeakPolarHBondContact CD-OE2 3.49Å; K113-E116 IonicContact NZ-OE2 3.58Å; K113-E116 PolarHBondContact NZ-OE2 3.38Å; K113-E116 PolarHBondContact O-N 2.91Å; K113-L117 HydrophobicContact CG-CD1 4.18Å; K113-L117 VanDerWaalsContact O-CG 3.28Å; K113-L117 WeakPolarHBondContact O-CG 3.47Å; K113-L117 PolarHBondContact O-N 3.5Å; K113-L117 VanDerWaalsContact O-N 3.11Å; K113-V467 HydrophobicContact CB-CB 4.5Å; K113-V467 HydrophobicContact CB-CG2 4.12Å; K113-V467 HydrophobicContact CG-CB 4.24Å; K113-V467 HydrophobicContact CG-CG2 4.3Å
114L98Very high97.6Very high9 Ų965 Ų655%0.04731%0.309CS..Hα-helixtrans-62.6-39.2177.5-176.464.3000111.3I41 L44 E45 I110 D111 L117 K118I41-L114 HydrophobicContact CG2-CD1 3.89Å; L44-L114 HydrophobicContact CB-CD1 4.21Å; E45-L114 HydrophobicContact CG-CD1 3.64Å; E45-L114 HydrophobicContact CG-CD2 3.93Å; E45-L114 HydrophobicContact CG-CG 4.41Å; I110-L114 VanDerWaalsContact O-CB 3.3Å; I110-L114 WeakPolarHBondContact O-CB 3.45Å; I110-L114 PolarHBondContact O-N 3.4Å; D111-L114 PolarHBondContact O-N 3.01Å; L114-L117 PolarHBondContact O-N 3.12Å; L114-K118 HydrophobicContact CD1-CD 4.45Å; L114-K118 HydrophobicContact CG-CD 4.16Å; L114-K118 WeakPolarHBondContact O-CB 3.36Å; L114-K118 VanDerWaalsContact O-CG 3.29Å; L114-K118 WeakPolarHBondContact O-CG 3.38Å; L114-K118 PolarHBondContact O-N 2.99Å
115T98.2Very high97.4Very high74 Ų7461.6 Ų61.645%0.45430%0.301SS..Hα-helixtrans-62.6-51174.5-60.10000111.5D111 K112 K113 L117 K118 E119D111-T115 WeakPolarHBondContact O-CB 3.46Å; D111-T115 PolarHBondContact O-N 3.3Å; D111-T115 PolarHBondContact O-OG1 3.41Å; K112-T115 PolarHBondContact O-N 2.95Å; K113-T115 VanDerWaalsContact C-N 3.31Å; K113-T115 PolarHBondContact O-N 3.09Å; T115-L117 VanDerWaalsContact C-N 3.29Å; T115-L117 PolarHBondContact O-N 2.92Å; T115-K118 PolarHBondContact O-N 3.28Å; T115-E119 WeakPolarHBondContact O-CG 3.23Å; T115-E119 PolarHBondContact O-N 3.36Å
116E98.1Very high97.2Very high92 Ų9261.8 Ų61.843%0.4330%0.303SS..Hα-helixtrans-52-47.9175.2-69.5175.7-158.700112K112 K113 E119 N120K112-E116 PolarHBondContact O-N 3.23Å; K113-E116 VanDerWaalsContact CD-OE2 3.32Å; K113-E116 WeakPolarHBondContact CD-OE2 3.49Å; K113-E116 IonicContact NZ-OE2 3.58Å; K113-E116 PolarHBondContact NZ-OE2 3.38Å; K113-E116 PolarHBondContact O-N 2.91Å; E116-E119 PolarHBondContact O-N 2.69Å; E116-N120 WeakPolarHBondContact O-CB 3.4Å; E116-N120 PolarHBondContact O-N 2.66Å; E116-N120 PolarHBondContact O-ND2 3.37Å
117L98.2Very high97.1Very high21 Ų2163.9 Ų63.911%0.1132%0.318CS..Hα-helixtrans-68.7-37.9-176.1-62.8171.2000111.3L37 I41 L44 K113 L114 T115 N120 S121L37-L117 HydrophobicContact CD1-CB 3.93Å; L37-L117 HydrophobicContact CD1-CD2 3.46Å; L37-L117 VanDerWaalsContact CD1-CD2 3.46Å; L37-L117 HydrophobicContact CD1-CG 4.22Å; I41-L117 HydrophobicContact CD1-CB 4.22Å; I41-L117 HydrophobicContact CG1-CB 3.74Å; L44-L117 HydrophobicContact CD1-CD1 3.41Å; L44-L117 VanDerWaalsContact CD1-CD1 3.41Å; K113-L117 HydrophobicContact CG-CD1 4.18Å; K113-L117 VanDerWaalsContact O-CG 3.28Å; K113-L117 WeakPolarHBondContact O-CG 3.47Å; K113-L117 PolarHBondContact O-N 3.5Å; K113-L117 VanDerWaalsContact O-N 3.11Å; L114-L117 PolarHBondContact O-N 3.12Å; T115-L117 VanDerWaalsContact C-N 3.29Å; T115-L117 PolarHBondContact O-N 2.92Å; L117-N120 PolarHBondContact O-N 3.01Å; L117-S121 WeakPolarHBondContact O-CB 3.34Å; L117-S121 PolarHBondContact O-N 3.1Å
118K97.9Very high96.8Very high84 Ų8464.5 Ų64.537%0.36532%0.322SS..Hα-helixtrans-65.1-45.3174.3-76.5174.1176.9179.20112.6I41 E45 L114 T115 N120 S121 Q122I41-K118 HydrophobicContact CD1-CG 4.09Å; I41-K118 HydrophobicContact CG1-CG 4.47Å; I41-K118 HydrophobicContact CG2-CG 4.23Å; E45-K118 WeakPolarHBondContact OE1-CE 3.34Å; E45-K118 IonicContact OE1-NZ 2.64Å; E45-K118 PolarHBondContact OE1-NZ 3.21Å; L114-K118 HydrophobicContact CD1-CD 4.45Å; L114-K118 HydrophobicContact CG-CD 4.16Å; L114-K118 WeakPolarHBondContact O-CB 3.36Å; L114-K118 VanDerWaalsContact O-CG 3.29Å; L114-K118 WeakPolarHBondContact O-CG 3.38Å; L114-K118 PolarHBondContact O-N 2.99Å; T115-K118 PolarHBondContact O-N 3.28Å; K118-N120 VanDerWaalsContact C-N 3.31Å; K118-N120 PolarHBondContact O-N 2.97Å; K118-S121 PolarHBondContact O-N 3.42Å; K118-Q122 WeakPolarHBondContact O-CB 3.46Å; K118-Q122 PolarHBondContact O-N 3.07Å
119E97.8Very high96.3Very high117 Ų11762 Ų6255%0.54732%0.32SS..Hα-helixtrans-60.4-41.7173.9-72-178.6178.500111.8T115 E116 Q122 R123T115-E119 WeakPolarHBondContact O-CG 3.23Å; T115-E119 PolarHBondContact O-N 3.36Å; E116-E119 PolarHBondContact O-N 2.69Å; E119-Q122 PolarHBondContact O-N 2.87Å; E119-R123 WeakPolarHBondContact O-CB 3.36Å; E119-R123 PolarHBondContact O-N 3.17Å
120N97.7Very high96.1Very high48 Ų4862 Ų6226%0.25732%0.322SS..Hα-helixtrans-62.2-43.8174.2-73.6-43.8000111.5L37 E116 L117 K118 R123 L124L37-N120 HydrophobicContact CD2-CB 3.74Å; E116-N120 WeakPolarHBondContact O-CB 3.4Å; E116-N120 PolarHBondContact O-N 2.66Å; E116-N120 PolarHBondContact O-ND2 3.37Å; L117-N120 PolarHBondContact O-N 3.01Å; K118-N120 VanDerWaalsContact C-N 3.31Å; K118-N120 PolarHBondContact O-N 2.97Å; N120-R123 PolarHBondContact O-N 2.97Å; N120-R123 PolarHBondContact OD1-NH1 3.45Å; N120-R123 PolarHBondContact OD1-NH2 2.97Å; N120-L124 WeakPolarHBondContact O-CG 3.47Å; N120-L124 PolarHBondContact O-N 2.88Å
121S96.8Very high95.7Very high9 Ų963.2 Ų63.26%0.06333%0.328CS..Hα-helixtrans-67.7-38.3178.2-174.10000112.2K34 D38 L117 K118 L124 G125K34-S121 VanDerWaalsContact CE-OG 3.29Å; K34-S121 WeakPolarHBondContact CE-OG 3.46Å; K34-S121 PolarHBondContact NZ-OG 3.07Å; D38-S121 PolarHBondContact OD1-OG 3.24Å; L117-S121 WeakPolarHBondContact O-CB 3.34Å; L117-S121 PolarHBondContact O-N 3.1Å; K118-S121 PolarHBondContact O-N 3.42Å; S121-L124 PolarHBondContact O-N 3.12Å; S121-G125 PolarHBondContact O-N 2.75Å
122Q95.8Very high95.3Very high128 Ų12862.6 Ų62.660%0.59833%0.327SS*.Hα-helixtrans-63.2-40.1171.4-172.6-178.7-19.400111.4K118 E119 G125 M126K118-Q122 WeakPolarHBondContact O-CB 3.46Å; K118-Q122 PolarHBondContact O-N 3.07Å; E119-Q122 PolarHBondContact O-N 2.87Å; Q122-G125 CarbonylContact O-C 3.51Å; Q122-G125 WeakPolarHBondContact O-CA 3.45Å; Q122-G125 PolarHBondContact O-N 3.39Å; Q122-M126 HydrophobicContact CG-CE 4.27Å; Q122-M126 WeakPolarHBondContact O-CG 3.48Å; Q122-M126 PolarHBondContact O-N 3.4Å
123R96.2Very high94.8Very high134 Ų13460.8 Ų60.851%0.50633%0.33SS..Hα-helixtrans-66.6-36.7175.5-168.1171.769.5-103.6-1.5112.6E119 N120 M126 S127E119-R123 WeakPolarHBondContact O-CB 3.36Å; E119-R123 PolarHBondContact O-N 3.17Å; N120-R123 PolarHBondContact O-N 2.97Å; N120-R123 PolarHBondContact OD1-NH1 3.45Å; N120-R123 PolarHBondContact OD1-NH2 2.97Å; R123-M126 HydrophobicContact CB-CE 4.37Å; R123-S127 WeakPolarHBondContact O-CB 3.46Å; R123-S127 PolarHBondContact O-N 3Å; R123-S127 PolarHBondContact O-OG 3.16Å
124L95.4Very high94.4Very high40 Ų4062.8 Ų62.821%0.20934%0.339CS..Hα-helixtrans-65.1-41.6169.2-64.4175.3000110.8V30 K34 L37 N120 S121 M126 S127 I128V30-L124 HydrophobicContact CG1-CB 4.24Å; V30-L124 HydrophobicContact CG1-CD2 3.98Å; K34-L124 HydrophobicContact CB-CB 4.12Å; K34-L124 HydrophobicContact CB-CD1 3.94Å; K34-L124 HydrophobicContact CG-CB 4.09Å; K34-L124 HydrophobicContact CG-CD1 4.27Å; L37-L124 HydrophobicContact CD2-CD1 3.82Å; N120-L124 WeakPolarHBondContact O-CG 3.47Å; N120-L124 PolarHBondContact O-N 2.88Å; S121-L124 PolarHBondContact O-N 3.12Å; L124-M126 PolarHBondContact O-N 2.64Å; L124-S127 CarbonylContact O-C 3.59Å; L124-S127 WeakPolarHBondContact O-CA 3.34Å; L124-S127 WeakPolarHBondContact O-CB 3.44Å; L124-S127 PolarHBondContact O-N 2.76Å; L124-S127 VanDerWaalsContact O-N 3.11Å; L124-I128 WeakPolarHBondContact O-CB 3.47Å; L124-I128 WeakPolarHBondContact O-CD1 3.26Å; L124-I128 VanDerWaalsContact O-CG1 3.31Å; L124-I128 WeakPolarHBondContact O-CG1 3.37Å; L124-I128 PolarHBondContact O-N 2.89Å
125G93.7Very high94Very high30 Ų3064 Ų6431%0.30934%0.344SS..Hα-helixtrans-59.1-44.3173.700000113.8S121 Q122 S127 I128 G129S121-G125 PolarHBondContact O-N 2.75Å; Q122-G125 CarbonylContact O-C 3.51Å; Q122-G125 WeakPolarHBondContact O-CA 3.45Å; Q122-G125 PolarHBondContact O-N 3.39Å; G125-S127 VanDerWaalsContact C-N 3.3Å; G125-S127 PolarHBondContact O-N 2.7Å; G125-I128 WeakPolarHBondContact O-CB 3.45Å; G125-I128 PolarHBondContact O-N 3.24Å; G125-G129 PolarHBondContact O-N 3.35Å
126M94.6Very high93.2Very high117 Ų11764.2 Ų64.258%0.57634%0.342SS*.Hα-helixtrans-65.1-34.1173-68.7-174.8-68.800112Q122 R123 L124 G129 S130Q122-M126 HydrophobicContact CG-CE 4.27Å; Q122-M126 WeakPolarHBondContact O-CG 3.48Å; Q122-M126 PolarHBondContact O-N 3.4Å; R123-M126 HydrophobicContact CB-CE 4.37Å; L124-M126 PolarHBondContact O-N 2.64Å; M126-G129 PolarHBondContact O-N 3.48Å; M126-S130 WeakPolarHBondContact O-CB 3.33Å; M126-S130 PolarHBondContact O-N 2.95Å
127S93.9Very high92.6Very high47 Ų4762.8 Ų62.833%0.32934%0.342SS..Hα-helixtrans-69.7-40.1174.9-56.40000112.1R123 L124 G125 S130 L131R123-S127 WeakPolarHBondContact O-CB 3.46Å; R123-S127 PolarHBondContact O-N 3Å; R123-S127 PolarHBondContact O-OG 3.16Å; L124-S127 CarbonylContact O-C 3.59Å; L124-S127 WeakPolarHBondContact O-CA 3.34Å; L124-S127 WeakPolarHBondContact O-CB 3.44Å; L124-S127 PolarHBondContact O-N 2.76Å; L124-S127 VanDerWaalsContact O-N 3.11Å; G125-S127 VanDerWaalsContact C-N 3.3Å; G125-S127 PolarHBondContact O-N 2.7Å; S127-S130 PolarHBondContact O-N 2.87Å; S127-L131 WeakPolarHBondContact O-CB 3.36Å; S127-L131 WeakPolarHBondContact O-CG 3.33Å; S127-L131 PolarHBondContact O-N 3.47Å
128I91.9Very high92.1Very high35 Ų3563.4 Ų63.418%0.17935%0.345CS..Hα-helixtrans-60-47.4171.6-75158.1000110.1L27 V30 N31 K34 L124 G125 L131 S132L27-I128 HydrophobicContact CD1-CB 4.23Å; L27-I128 HydrophobicContact CD1-CG1 4.18Å; L27-I128 HydrophobicContact CD1-CG2 3.95Å; V30-I128 HydrophobicContact CB-CG1 4.41Å; V30-I128 HydrophobicContact CG1-CD1 4.07Å; V30-I128 HydrophobicContact CG1-CG1 3.65Å; N31-I128 WeakPolarHBondContact OD1-CD1 3.44Å; N31-I128 WeakPolarHBondContact OD1-CG1 3.44Å; K34-I128 HydrophobicContact CB-CD1 4.33Å; K34-I128 HydrophobicContact CD-CD1 3.83Å; L124-I128 WeakPolarHBondContact O-CB 3.47Å; L124-I128 WeakPolarHBondContact O-CD1 3.26Å; L124-I128 VanDerWaalsContact O-CG1 3.31Å; L124-I128 WeakPolarHBondContact O-CG1 3.37Å; L124-I128 PolarHBondContact O-N 2.89Å; G125-I128 WeakPolarHBondContact O-CB 3.45Å; G125-I128 PolarHBondContact O-N 3.24Å; I128-L131 PolarHBondContact O-N 3.41Å; I128-S132 WeakPolarHBondContact O-CB 3.43Å; I128-S132 PolarHBondContact O-N 3.34Å
129G87.3Confident91.3Very high35 Ų3562.7 Ų62.736%0.36134%0.344SS..Hα-helixtrans-57.4-49.4173.200000112.2G125 M126 L131 S132 S133G125-G129 PolarHBondContact O-N 3.35Å; M126-G129 PolarHBondContact O-N 3.48Å; G129-L131 PolarHBondContact O-N 3.18Å; G129-S132 PolarHBondContact O-N 3.38Å; G129-S133 WeakPolarHBondContact O-CB 3.47Å; G129-S133 PolarHBondContact O-N 3.33Å; G129-S133 PolarHBondContact O-OG 3.16Å; G129-S133 VanDerWaalsContact O-OG 3.12Å
130S93.3Very high90.4Very high51 Ų5161.2 Ų61.236%0.35734%0.34SS..Hα-helixtrans-63.2-41.5178.4-167.20000113M126 S127 K134M126-S130 WeakPolarHBondContact O-CB 3.33Å; M126-S130 PolarHBondContact O-N 2.95Å; S127-S130 PolarHBondContact O-N 2.87Å; S130-K134 VanDerWaalsContact O-CB 3.31Å; S130-K134 WeakPolarHBondContact O-CB 3.42Å; S130-K134 WeakPolarHBondContact O-CD 3.22Å; S130-K134 VanDerWaalsContact O-CG 3.22Å; S130-K134 WeakPolarHBondContact O-CG 3.32Å; S130-K134 PolarHBondContact O-N 3.15Å; S130-K134 PolarHBondContact OG-NZ 3.43Å; S130-K134 VanDerWaalsContact OG-NZ 3.08Å
131L91.6Very high89.5Confident26 Ų2660.7 Ų60.714%0.13634%0.34CS..Hα-helixtrans-69.1-40.5177.4-76.6171.2000112H23 K26 L27 V30 S127 I128 G129 K134 M135H23-L131 WeakPolarHBondContact ND1-CD2 3.49Å; K26-L131 HydrophobicContact CB-CD1 4.11Å; K26-L131 HydrophobicContact CB-CD2 4.31Å; L27-L131 HydrophobicContact CD1-CB 4.23Å; V30-L131 HydrophobicContact CG2-CD1 4.13Å; S127-L131 WeakPolarHBondContact O-CB 3.36Å; S127-L131 WeakPolarHBondContact O-CG 3.33Å; S127-L131 PolarHBondContact O-N 3.47Å; I128-L131 PolarHBondContact O-N 3.41Å; G129-L131 PolarHBondContact O-N 3.18Å; L131-K134 PolarHBondContact O-N 3.01Å; L131-M135 VanDerWaalsContact O-CB 3.27Å; L131-M135 WeakPolarHBondContact O-CB 3.41Å; L131-M135 PolarHBondContact O-N 3.26Å
132S87.7Confident88.5Confident38 Ų3860.4 Ų60.427%0.26634%0.338SS..Hα-helixtrans-63.8-50.3174.7-172.70000110.9I128 G129 K134 M135 I136I128-S132 WeakPolarHBondContact O-CB 3.43Å; I128-S132 PolarHBondContact O-N 3.34Å; G129-S132 PolarHBondContact O-N 3.38Å; S132-K134 VanDerWaalsContact C-N 3.3Å; S132-K134 PolarHBondContact O-N 3.13Å; S132-M135 PolarHBondContact O-N 3.44Å; S132-I136 WeakPolarHBondContact O-CB 3.45Å; S132-I136 VanDerWaalsContact O-CG1 3.26Å; S132-I136 WeakPolarHBondContact O-CG1 3.2Å; S132-I136 PolarHBondContact O-N 3.14Å
133S88.9Confident87.2Confident80 Ų8058 Ų5856%0.55933%0.328SS*.Hα-helixtrans-60.9-35.4175.6-64.20000112.9G129 S137G129-S133 WeakPolarHBondContact O-CB 3.47Å; G129-S133 PolarHBondContact O-N 3.33Å; G129-S133 PolarHBondContact O-OG 3.16Å; G129-S133 VanDerWaalsContact O-OG 3.12Å; S133-S137 WeakPolarHBondContact O-CB 3.49Å; S133-S137 PolarHBondContact O-N 2.92Å
134K90.5Very high85.7Confident104 Ų10454.2 Ų54.245%0.45233%0.326SS..Hα-helixtrans-69.1-47.7172.8-77.8165.3-179.3155.50111.9S130 L131 S132 I136 S137 E138S130-K134 VanDerWaalsContact O-CB 3.31Å; S130-K134 WeakPolarHBondContact O-CB 3.42Å; S130-K134 WeakPolarHBondContact O-CD 3.22Å; S130-K134 VanDerWaalsContact O-CG 3.22Å; S130-K134 WeakPolarHBondContact O-CG 3.32Å; S130-K134 PolarHBondContact O-N 3.15Å; S130-K134 PolarHBondContact OG-NZ 3.43Å; S130-K134 VanDerWaalsContact OG-NZ 3.08Å; L131-K134 PolarHBondContact O-N 3.01Å; S132-K134 VanDerWaalsContact C-N 3.3Å; S132-K134 PolarHBondContact O-N 3.13Å; K134-I136 VanDerWaalsContact C-N 3.34Å; K134-I136 PolarHBondContact O-N 3.36Å; K134-S137 CarbonylContact O-C 3.59Å; K134-S137 PolarHBondContact O-N 3.4Å; K134-S137 VanDerWaalsContact O-N 3.1Å; K134-E138 WeakPolarHBondContact O-CG 3.41Å; K134-E138 PolarHBondContact O-N 2.86Å
135M88.4Confident84.1Confident34 Ų3453.3 Ų53.317%0.16732%0.323CS..Hα-helixtrans-58.2-46.5176.1-173.1-177.17400111.3A20 H23 Q24 L27 L131 S132 S137 E138 I139A20-M135 HydrophobicContact CB-CG 4.15Å; H23-M135 HydrophobicContact CB-CB 3.88Å; H23-M135 HydrophobicContact CB-CG 4.34Å; Q24-M135 HydrophobicContact CB-SD 3.86Å; Q24-M135 HydrophobicContact CG-SD 4.22Å; L27-M135 HydrophobicContact CD2-CE 4.32Å; L27-M135 HydrophobicContact CD2-SD 4.44Å; L131-M135 VanDerWaalsContact O-CB 3.27Å; L131-M135 WeakPolarHBondContact O-CB 3.41Å; L131-M135 PolarHBondContact O-N 3.26Å; S132-M135 PolarHBondContact O-N 3.44Å; M135-S137 VanDerWaalsContact C-N 3.34Å; M135-E138 PolarHBondContact O-N 3.24Å; M135-I139 HydrophobicContact CG-CD1 3.93Å; M135-I139 WeakPolarHBondContact O-CB 3.4Å; M135-I139 WeakPolarHBondContact O-CD1 3.39Å; M135-I139 WeakPolarHBondContact O-CG1 3.4Å; M135-I139 PolarHBondContact O-N 2.68Å
136I82.2Confident82.2Confident78 Ų7858.6 Ų58.640%0.434%0.335SS..Hα-helixtrans-64.9-36.6174.7-67.2166.5000110.9S132 K134 N140S132-I136 WeakPolarHBondContact O-CB 3.45Å; S132-I136 VanDerWaalsContact O-CG1 3.26Å; S132-I136 WeakPolarHBondContact O-CG1 3.2Å; S132-I136 PolarHBondContact O-N 3.14Å; K134-I136 VanDerWaalsContact C-N 3.34Å; K134-I136 PolarHBondContact O-N 3.36Å; I136-N140 WeakPolarHBondContact O-CA 3.33Å; I136-N140 WeakPolarHBondContact O-CB 3.46Å; I136-N140 PolarHBondContact O-N 2.88Å
137S84.7Confident80.1Confident63 Ų6359.9 Ų59.944%0.44134%0.337SS..Hα-helixtrans-70.4-37176-1780000112.8S133 K134 M135 S141S133-S137 WeakPolarHBondContact O-CB 3.49Å; S133-S137 PolarHBondContact O-N 2.92Å; K134-S137 CarbonylContact O-C 3.59Å; K134-S137 PolarHBondContact O-N 3.4Å; K134-S137 VanDerWaalsContact O-N 3.1Å; M135-S137 VanDerWaalsContact C-N 3.34Å; S137-S141 VanDerWaalsContact O-CB 3.25Å; S137-S141 WeakPolarHBondContact O-CB 3.36Å; S137-S141 PolarHBondContact O-N 2.84Å; S137-S141 PolarHBondContact O-OG 3.13Å
138E87.8Confident78Confident34 Ų3461.3 Ų61.316%0.15936%0.36CS..Hα-helixtrans-69.6-45.8173.2-63.9-58.184.600110.5K16 A19 A20 K134 M135 N140 S141 S142K16-E138 WeakPolarHBondContact CB-O 3.43Å; K16-E138 HydrophobicContact CD-CB 4.33Å; K16-E138 VanDerWaalsContact CD-CD 3.44Å; K16-E138 HydrophobicContact CD-CG 4.46Å; K16-E138 WeakPolarHBondContact CD-OE2 3.43Å; K16-E138 IonicContact NZ-OE1 2.63Å; K16-E138 PolarHBondContact NZ-OE1 2.92Å; K16-E138 IonicContact NZ-OE2 3.31Å; K16-E138 PolarHBondContact NZ-OE2 2.8Å; A19-E138 HydrophobicContact CB-CG 3.99Å; A19-E138 WeakPolarHBondContact CB-OE2 3.38Å; A20-E138 HydrophobicContact CB-CB 4.15Å; K134-E138 WeakPolarHBondContact O-CG 3.41Å; K134-E138 PolarHBondContact O-N 2.86Å; M135-E138 PolarHBondContact O-N 3.24Å; E138-N140 PolarHBondContact O-N 3.47Å; E138-S141 WeakPolarHBondContact O-CA 3.08Å; E138-S141 WeakPolarHBondContact O-CB 3.48Å; E138-S141 PolarHBondContact O-N 3.2Å; E138-S142 PolarHBondContact O-N 2.67Å
139I81.6Confident75.5Confident68 Ų6868.1 Ų68.135%0.34939%0.393SS..Hα-helixtrans-57.1-48.6172.7-72.2166.6000110.5A20 M135 S141 S142 L143A20-I139 HydrophobicContact CB-CD1 4.34Å; A20-I139 HydrophobicContact CB-CG1 3.79Å; M135-I139 HydrophobicContact CG-CD1 3.93Å; M135-I139 WeakPolarHBondContact O-CB 3.4Å; M135-I139 WeakPolarHBondContact O-CD1 3.39Å; M135-I139 WeakPolarHBondContact O-CG1 3.4Å; M135-I139 PolarHBondContact O-N 2.68Å; I139-S141 VanDerWaalsContact C-N 3.25Å; I139-S141 PolarHBondContact O-N 3.19Å; I139-S142 WeakPolarHBondContact O-CB 3.45Å; I139-S142 PolarHBondContact O-N 3.21Å; I139-L143 HydrophobicContact CG2-CD1 4.07Å; I139-L143 WeakPolarHBondContact O-CB 3.48Å; I139-L143 PolarHBondContact O-N 3.49Å
140N79Confident73.1Confident87 Ų8771 Ų7147%0.46541%0.414SS..Hα-helixtrans-68.2-21.6176.1-73.1-8.7000112.6I136 E138 L143 A144I136-N140 WeakPolarHBondContact O-CA 3.33Å; I136-N140 WeakPolarHBondContact O-CB 3.46Å; I136-N140 PolarHBondContact O-N 2.88Å; E138-N140 PolarHBondContact O-N 3.47Å; N140-L143 CarbonylContact O-C 3.59Å; N140-A144 WeakPolarHBondContact O-CA 3.33Å; N140-A144 WeakPolarHBondContact O-CB 3.23Å; N140-A144 PolarHBondContact O-N 3.04Å
141S79.4Confident70.3Confident36 Ų3678 Ų7825%0.25244%0.441SS..Hα-helixtrans-77.7-36.2172.3-64.50000111.9S137 E138 I139 S145S137-S141 VanDerWaalsContact O-CB 3.25Å; S137-S141 WeakPolarHBondContact O-CB 3.36Å; S137-S141 PolarHBondContact O-N 2.84Å; S137-S141 PolarHBondContact O-OG 3.13Å; E138-S141 WeakPolarHBondContact O-CA 3.08Å; E138-S141 WeakPolarHBondContact O-CB 3.48Å; E138-S141 PolarHBondContact O-N 3.2Å; I139-S141 VanDerWaalsContact C-N 3.25Å; I139-S141 PolarHBondContact O-N 3.19Å; S141-S145 WeakPolarHBondContact O-CB 3.44Å; S141-S145 PolarHBondContact O-N 3.43Å; S141-S145 PolarHBondContact O-OG 3.07Å
142S74.7Confident67.6Low4 Ų485.4 Ų85.43%0.02848%0.475CS..Hα-helixtrans-61.8-56164.9-178.80000109A13 E17 E138 I139 A144 S145 Y146A13-S142 WeakPolarHBondContact CB-OG 3.42Å; E17-S142 PolarHBondContact OE1-OG 3.27Å; E138-S142 PolarHBondContact O-N 2.67Å; I139-S142 WeakPolarHBondContact O-CB 3.45Å; I139-S142 PolarHBondContact O-N 3.21Å; S142-A144 VanDerWaalsContact C-N 3.3Å; S142-A144 PolarHBondContact O-N 2.9Å; S142-S145 WeakPolarHBondContact O-CA 3.43Å; S142-S145 VanDerWaalsContact O-CB 3.29Å; S142-S145 WeakPolarHBondContact O-CB 3.4Å; S142-S145 PolarHBondContact O-N 3.15Å; S142-Y146 WeakPolarHBondContact O-CD2 3.2Å; S142-Y146 PolarHBondContact O-N 3.33Å; S142-Y146 VanDerWaalsContact O-N 3.16Å; S142-Y146 WeakPolarHBondContact OG-CE2 3.38Å
143L68.4Low65.1Low76 Ų7690.6 Ų90.640%0.39850%0.5SS..Hα-helixtrans-59.4-27.8178.8-95.3165.5000115.1I139 N140 Y146 K147I139-L143 HydrophobicContact CG2-CD1 4.07Å; I139-L143 WeakPolarHBondContact O-CB 3.48Å; I139-L143 PolarHBondContact O-N 3.49Å; N140-L143 CarbonylContact O-C 3.59Å; L143-Y146 CarbonylContact O-C 3.47Å; L143-Y146 PolarHBondContact O-N 3.02Å; L143-K147 HydrophobicContact CD2-CD 4.48Å; L143-K147 WeakPolarHBondContact O-CA 3.36Å; L143-K147 WeakPolarHBondContact O-CB 3.3Å; L143-K147 WeakPolarHBondContact O-CG 3.16Å; L143-K147 PolarHBondContact O-N 2.84Å
144A65.6Low62.3Low56 Ų5693.5 Ų93.546%0.46351%0.513SS..Hα-helixtrans-89.2-23.6174.800000112.9N140 S142 Y146 K147N140-A144 WeakPolarHBondContact O-CA 3.33Å; N140-A144 WeakPolarHBondContact O-CB 3.23Å; N140-A144 PolarHBondContact O-N 3.04Å; S142-A144 VanDerWaalsContact C-N 3.3Å; S142-A144 PolarHBondContact O-N 2.9Å; A144-Y146 PolarHBondContact O-N 3.49Å; A144-K147 CarbonylContact O-C 3.56Å; A144-K147 PolarHBondContact O-N 3.43Å
145S62.1Low59.6Low21 Ų2194.5 Ų94.515%0.14753%0.529CS..Hα-helixtrans-60.4-26.8162.1-58.30000110.8R9 S141 S142R9-S145 PolarHBondContact NH1-O 3.44Å; S141-S145 WeakPolarHBondContact O-CB 3.44Å; S141-S145 PolarHBondContact O-N 3.43Å; S141-S145 PolarHBondContact O-OG 3.07Å; S142-S145 WeakPolarHBondContact O-CA 3.43Å; S142-S145 VanDerWaalsContact O-CB 3.29Å; S142-S145 WeakPolarHBondContact O-CB 3.4Å; S142-S145 PolarHBondContact O-N 3.15Å
146Y52.5Low56.8Low140 Ų140102.5 Ų102.555%0.54956%0.562SS.*Hα-helixtrans-89.8-41.3168.2-57.5-61.3000114.8A13 S142 L143 A144A13-Y146 HydrophobicContact CB-CE2 4.09Å; S142-Y146 WeakPolarHBondContact O-CD2 3.2Å; S142-Y146 PolarHBondContact O-N 3.33Å; S142-Y146 VanDerWaalsContact O-N 3.16Å; S142-Y146 WeakPolarHBondContact OG-CE2 3.38Å; L143-Y146 CarbonylContact O-C 3.47Å; L143-Y146 PolarHBondContact O-N 3.02Å; A144-Y146 PolarHBondContact O-N 3.49Å
147K51.6Low54.2Low144 Ų144107.5 Ų107.563%0.62659%0.586SS**  trans-110.484.8-173.4-69.1-173.7170.3-172.50113.4L143 A144 M149L143-K147 HydrophobicContact CD2-CD 4.48Å; L143-K147 WeakPolarHBondContact O-CA 3.36Å; L143-K147 WeakPolarHBondContact O-CB 3.3Å; L143-K147 WeakPolarHBondContact O-CG 3.16Å; L143-K147 PolarHBondContact O-N 2.84Å; A144-K147 CarbonylContact O-C 3.56Å; A144-K147 PolarHBondContact O-N 3.43Å; K147-M149 PolarHBondContact O-N 3.05Å; K147-M149 VanDerWaalsContact O-N 3.1Å
148G49.1Very low51.5Low78 Ų78112.5 Ų112.580%0.80461%0.606SS**  trans-80.652.6164.300000113.1
149M39Very low48.8Very low177 Ų177120.8 Ų120.887%0.87264%0.642SS**  trans-140.1138-176.7-60.8176.575.200109.1K147K147-M149 PolarHBondContact O-N 3.05Å; K147-M149 VanDerWaalsContact O-N 3.1Å
150A36.7Very low46.5Very low97 Ų97123.1 Ų123.180%0.80267%0.671SS**  trans-118.6159.8-156.100000114.9
151E35Very low44.2Very low197 Ų197122.7 Ų122.792%0.92169%0.687SS**  trans-174.8173.3140.6-106.7169.6-177.800111.6
152Q35.3Very low42Very low181 Ų181129.3 Ų129.385%0.84671%0.714SS**  trans-137.7-175.2-170.3-72.6-173.5-116.600113.5
153D35.5Very low40Very low148 Ų148134.6 Ų134.679%0.79174%0.742SS**  trans89.694.5159-62.4-12.3000121
154V29.6Very low38.3Very low140 Ų140140 Ų14085%0.84876%0.762SS**  trans-149.6140.9159.1179.50000110
155T33.3Very low36.9Very low126 Ų126142.2 Ų142.277%0.77378%0.781SS**  trans140123.1146.6-650000115.5
156K30.4Very low35.6Very low201 Ų201149.6 Ų149.687%0.87481%0.81SS**  trans176.1167.6150.7-101159.1-177.3175.60114.9
157M27.9Very low34.7Very low184 Ų184149.3 Ų149.391%0.90682%0.818SS**  trans96.9112.7157.4-48.5-171.775.200122.8
158I26.8Very low34Very low168 Ų168148.6 Ų148.686%0.86282%0.822SS**  trans-1660178.1-40.6177.6000115.4
159K31.7Very low33.5Very low208 Ų208153.3 Ų153.390%0.90482%0.82SS**  000-66-178175.9-170.20126.9
160A32.4Very low33.4Very low116 Ų116150.1 Ų150.196%0.95982%0.822SS**  00000000117.6
161G32.2Very low33.3Very low78 Ų78149.6 Ų149.680%0.80483%0.825SS**  00000000121
162E32Very low33.2Very low176 Ų176145.5 Ų145.582%0.82283%0.825SS**  000-59.1-178.1-144.500126.3
163N32.2Very low32.7Very low115 Ų115142.3 Ų142.362%0.61582%0.823SS**  000-65.3-51.8000128.8
164K33.2Very low32Very low188 Ų188140.5 Ų140.582%0.81782%0.822SS**  000-87.7-178.5173.194.80113.1
165A35.6Very low31.6Very low104 Ų104136.3 Ų136.386%0.8681%0.807SS**  00000000113.6
166K35.2Very low31Very low175 Ų175135 Ų13576%0.76179%0.792SS**  000-176.9-179.2156.8-82.60117.5
167D34Very low31Very low134 Ų134130.5 Ų130.572%0.71778%0.784SS**  000-77.1-68000129.6
168D37.7Very low32.3Very low130 Ų130128.6 Ų128.670%0.69578%0.782SS**  000-145.2-13.8000118.1
169K38.9Very low34.1Very low177 Ų177122.4 Ų122.477%0.7775%0.75SS**  000-147.1158.3-14471.10119.1
170A36.5Very low35.8Very low110 Ų110114.4 Ų114.491%0.90972%0.716SS**  00000000123.4
171G33.7Very low37.5Very low85 Ų85113.2 Ų113.288%0.87669%0.686SS**  00000000125.2
172A33.3Very low39.7Very low111 Ų111115.8 Ų115.892%0.91768%0.675SS**  00000000118
173S25.3Very low41.8Very low114 Ų114108.2 Ų108.280%0.79764%0.64SS**  00066.80000117.9N600S173-N600 PolarHBondContact O-ND2 3.34Å
174S19.9Very low43.6Very low110 Ų110102.8 Ų102.877%0.76961%0.611SS**  0164.3061.10000125N600S174-N600 WeakPolarHBondContact CA-ND2 3.28Å; S174-N600 WeakPolarHBondContact CB-ND2 3.47Å
175G21.6Very low45.6Very low52 Ų5294.8 Ų94.854%0.53658%0.578SS.*  trans149.50160.700000123.9N600G175-N600 PolarHBondContact N-OD1 3.01Å; G175-N600 VanDerWaalsContact N-OD1 3.14Å
176Q19.7Very low47.5Very low98 Ų9889.9 Ų89.946%0.45854%0.537SS..  000-102.2146.4112.300124.3R219 I599Q176-R219 VanDerWaalsContact OE1-CZ 3.25Å; Q176-I599 HydrophobicContact CB-CG2 4.07Å
177P30.7Very low49.3Very low108 Ų10882.5 Ų82.570%0.70151%0.505SS*.  0174.9044.9-25.2000125.9L179P177-L179 PolarHBondContact O-N 2.84Å
178V55.2Low50.7Low144 Ų14479.3 Ų79.387%0.87349%0.485SS*.  trans50.2-22.6159.7152.10000127.5F180V178-F180 PolarHBondContact O-N 2.99Å; V178-F180 VanDerWaalsContact O-N 3.1Å
179L66.2Low52.4Low38 Ų3877 Ų7720%0.19947%0.47CS..  trans-65.6-16.9-152.5-171.543.5000121.1P177 I183 F194 Y196 L204P177-L179 PolarHBondContact O-N 2.84Å; L179-I183 HydrophobicContact CG-CD1 4.37Å; L179-F194 HydrophobicContact CD1-CE1 4.46Å; L179-Y196 HydrophobicContact CD1-CD1 3.37Å; L179-Y196 HydrophobicContact CD1-CD2 3.71Å; L179-Y196 HydrophobicContact CD1-CE1 3.88Å; L179-Y196 HydrophobicContact CD1-CE2 4.21Å; L179-Y196 HydrophobicContact CD1-CG 3.24Å; L179-Y196 HydrophobicContact CD2-CD1 3.54Å; L179-Y196 HydrophobicContact CD2-CE1 3.97Å; L179-Y196 HydrophobicContact CD2-CG 4.25Å; L179-Y196 HydrophobicContact CG-CD1 4.09Å; L179-Y196 HydrophobicContact CG-CE1 4.45Å; L179-Y196 HydrophobicContact CG-CG 4.39Å; L179-L204 HydrophobicContact CD1-CD2 4.36Å; L179-L204 HydrophobicContact CD2-CB 4.06Å; L179-L204 HydrophobicContact CD2-CD2 3.46Å; L179-L204 VanDerWaalsContact CD2-CD2 3.46Å; L179-L204 HydrophobicContact CD2-CG 4.35Å; L179-L204 HydrophobicContact CG-CD2 3.89Å
180F67.2Low53.6Low39 Ų3975 Ų7517%0.17146%0.463CS..Hα-helixtrans-67.2-47.7-155.6176.4-113000118.5V178 K182 I183 N184 M235 I238 D239V178-F180 PolarHBondContact O-N 2.99Å; V178-F180 VanDerWaalsContact O-N 3.1Å; F180-K182 VanDerWaalsContact C-N 3.28Å; F180-K182 PolarHBondContact O-N 2.75Å; F180-K182 VanDerWaalsContact O-N 3.15Å; F180-I183 PolarHBondContact O-N 3.01Å; F180-N184 WeakPolarHBondContact CE2-ND2 3.49Å; F180-N184 WeakPolarHBondContact CZ-ND2 3.39Å; F180-N184 PolarHBondContact O-ND2 2.88Å; F180-M235 HydrophobicContact CD2-SD 4.17Å; F180-M235 HydrophobicContact CE2-CB 4.23Å; F180-M235 HydrophobicContact CE2-CE 4.17Å; F180-M235 HydrophobicContact CE2-CG 4.43Å; F180-M235 HydrophobicContact CE2-SD 3.44Å; F180-M235 WeakPolarHBondContact CE2-SD 3.25Å; F180-M235 HydrophobicContact CZ-CB 4.23Å; F180-M235 VanDerWaalsContact CZ-O 3.29Å; F180-M235 WeakPolarHBondContact CZ-O 3.35Å; F180-M235 HydrophobicContact CZ-SD 4.26Å; F180-I238 HydrophobicContact CB-CG2 4.28Å; F180-I238 HydrophobicContact CD1-CG2 3.89Å; F180-I238 HydrophobicContact CD2-CB 3.96Å; F180-I238 HydrophobicContact CD2-CD1 4.14Å; F180-I238 HydrophobicContact CD2-CG2 3.33Å; F180-I238 HydrophobicContact CE1-CB 4.42Å; F180-I238 HydrophobicContact CE1-CG2 3.99Å; F180-I238 HydrophobicContact CE2-CB 3.5Å; F180-I238 HydrophobicContact CE2-CD1 3.95Å; F180-I238 HydrophobicContact CE2-CG1 4.35Å; F180-I238 HydrophobicContact CE2-CG2 3.41Å; F180-I238 VanDerWaalsContact CE2-CG2 3.41Å; F180-I238 HydrophobicContact CG-CG2 3.57Å; F180-I238 HydrophobicContact CZ-CB 3.79Å; F180-I238 HydrophobicContact CZ-CG2 3.77Å; F180-D239 HydrophobicContact CE1-CB 4.07Å; F180-D239 HydrophobicContact CZ-CB 4.23Å
181R67.6Low55.6Low91 Ų9173.9 Ų73.934%0.34344%0.439SS..Hα-helixtrans-54.6-40.1-169.7-177.2-178.2-178.1-96.4-3.2113.2I183 N184 L185 E255 I317R181-I183 PolarHBondContact O-N 3.03Å; R181-N184 PolarHBondContact O-N 3.49Å; R181-L185 HydrophobicContact CG-CD1 4.42Å; R181-L185 PolarHBondContact O-N 3.34Å; R181-E255 IonicContact CZ-OE2 2.71Å; R181-E255 IonicContact NH1-OE2 2.71Å; R181-E255 PolarHBondContact NH1-OE2 3.36Å; R181-E255 IonicContact NH2-OE2 2.65Å; R181-E255 PolarHBondContact NH2-OE2 3.17Å; R181-I317 PolarHBondContact NE-O 3.31Å; R181-I317 PolarHBondContact NH2-O 3.14Å
182K77.3Confident58Low133 Ų13373.7 Ų73.758%0.57842%0.421SS*.Hα-helixtrans-67.3-34.5-172.5-64-168.3172.9-164.40113.6F180 N184 L185 A186 F194F180-K182 VanDerWaalsContact C-N 3.28Å; F180-K182 PolarHBondContact O-N 2.75Å; F180-K182 VanDerWaalsContact O-N 3.15Å; K182-N184 VanDerWaalsContact C-N 3.3Å; K182-N184 PolarHBondContact O-N 3.45Å; K182-L185 PolarHBondContact O-N 3.47Å; K182-A186 PolarHBondContact O-N 2.67Å; K182-F194 HydrophobicContact CB-CE2 3.55Å; K182-F194 HydrophobicContact CB-CZ 3.54Å; K182-F194 HydrophobicContact CD-CE2 4.42Å; K182-F194 HydrophobicContact CD-CZ 4.36Å
183I76.2Confident60.6Low16 Ų1672 Ų728%0.08240%0.397CS..Hα-helixtrans-66.6-35.7-179.7-48.9166.3000110.5L179 F180 R181 F187 F194 L204 V206 F208 Y231L179-I183 HydrophobicContact CG-CD1 4.37Å; F180-I183 PolarHBondContact O-N 3.01Å; R181-I183 PolarHBondContact O-N 3.03Å; I183-F187 PolarHBondContact O-N 2.92Å; I183-F194 HydrophobicContact CB-CD1 4.38Å; I183-F194 HydrophobicContact CG1-CD1 3.82Å; I183-F194 HydrophobicContact CG1-CE1 3.64Å; I183-F194 HydrophobicContact CG1-CZ 4.43Å; I183-F194 HydrophobicContact CG2-CD1 4.5Å; I183-L204 HydrophobicContact CD1-CD2 3.65Å; I183-L204 HydrophobicContact CG1-CD2 4.33Å; I183-V206 HydrophobicContact CG2-CB 4.27Å; I183-V206 HydrophobicContact CG2-CG1 4.04Å; I183-V206 HydrophobicContact CG2-CG2 3.92Å; I183-F208 HydrophobicContact CG2-CZ 4.02Å; I183-F208 WeakPolarHBondContact O-CZ 3.28Å; I183-Y231 HydrophobicContact CG2-CE2 4.29Å; I183-Y231 PolarHBondContact O-OH 2.95Å; I183-Y231 VanDerWaalsContact O-OH 3.1Å
184N71.1Confident63.6Low1 Ų167.7 Ų67.71%0.00536%0.364CS..Hα-helixtrans-70.1-43.2178.2-75-102.9000111.3F180 R181 K182 A186 F187 F188 M235 L315 Y352F180-N184 WeakPolarHBondContact CE2-ND2 3.49Å; F180-N184 WeakPolarHBondContact CZ-ND2 3.39Å; F180-N184 PolarHBondContact O-ND2 2.88Å; R181-N184 PolarHBondContact O-N 3.49Å; K182-N184 VanDerWaalsContact C-N 3.3Å; K182-N184 PolarHBondContact O-N 3.45Å; N184-A186 PolarHBondContact O-N 3.18Å; N184-F187 WeakPolarHBondContact O-CB 3.45Å; N184-F187 PolarHBondContact O-N 3.39Å; N184-F188 WeakPolarHBondContact O-CD2 3.28Å; N184-F188 PolarHBondContact O-N 3.37Å; N184-M235 PolarHBondContact ND2-SD 3.3Å; N184-M235 VanDerWaalsContact ND2-SD 3.4Å; N184-M235 WeakPolarHBondContact OD1-CB 3.35Å; N184-L315 HydrophobicContact CB-CD1 3.62Å; N184-Y352 PolarHBondContact OD1-OH 2.94Å
185L74.8Confident66.8Low21 Ų2165.8 Ų65.811%0.1134%0.342CS..Hα-helixtrans-57.3-50178.6-72.5170.8000111.2R181 K182 F187 F188 Q189 L258 L315R181-L185 HydrophobicContact CG-CD1 4.42Å; R181-L185 PolarHBondContact O-N 3.34Å; K182-L185 PolarHBondContact O-N 3.47Å; L185-F187 VanDerWaalsContact C-N 3.31Å; L185-F187 PolarHBondContact O-N 2.87Å; L185-F188 CarbonylContact O-C 3.59Å; L185-F188 PolarHBondContact O-N 3.08Å; L185-Q189 WeakPolarHBondContact O-CB 3.4Å; L185-Q189 WeakPolarHBondContact O-CG 3.29Å; L185-Q189 PolarHBondContact O-N 3.09Å; L185-Q189 PolarHBondContact O-OE1 3.31Å; L185-L258 HydrophobicContact CD2-CD1 4.02Å; L185-L315 HydrophobicContact CD2-CD1 3.64Å; L185-L315 HydrophobicContact CD2-CD2 4.34Å; L185-L315 HydrophobicContact CD2-CG 3.83Å; L185-L315 HydrophobicContact CG-CD1 3.79Å
186A76Confident69.6Low1 Ų166.8 Ų66.81%0.00833%0.331CS..Hα-helixtrans-51.1-47.1175.300000113K182 N184 Q189 E190 E191 F194 F208K182-A186 PolarHBondContact O-N 2.67Å; N184-A186 PolarHBondContact O-N 3.18Å; A186-Q189 PolarHBondContact O-N 2.93Å; A186-E190 PolarHBondContact O-N 2.67Å; A186-E191 WeakPolarHBondContact CA-OE2 3.49Å; A186-E191 HydrophobicContact CB-CB 4.14Å; A186-E191 HydrophobicContact CB-CG 4.29Å; A186-E191 WeakPolarHBondContact CB-OE2 3.28Å; A186-E191 WeakPolarHBondContact O-CB 3.46Å; A186-E191 PolarHBondContact O-N 3.3Å; A186-F194 HydrophobicContact CB-CB 3.78Å; A186-F194 HydrophobicContact CB-CD2 4.08Å; A186-F194 HydrophobicContact CB-CG 4.21Å; A186-F208 HydrophobicContact CB-CE2 3.74Å; A186-F208 HydrophobicContact CB-CZ 4.23Å
187F73.7Confident72.4Confident19 Ų1969.6 Ų69.68%0.08334%0.341CS..Hα-helixtrans-60.6-46.3176.3175.1-92.2000112.8I183 N184 L185 E190 F208 V215 F228 Y231 L232I183-F187 PolarHBondContact O-N 2.92Å; N184-F187 WeakPolarHBondContact O-CB 3.45Å; N184-F187 PolarHBondContact O-N 3.39Å; L185-F187 VanDerWaalsContact C-N 3.31Å; L185-F187 PolarHBondContact O-N 2.87Å; F187-E190 PolarHBondContact O-N 2.71Å; F187-F208 HydrophobicContact CB-CD1 4.21Å; F187-F208 HydrophobicContact CB-CE1 3.72Å; F187-F208 HydrophobicContact CB-CZ 3.96Å; F187-F208 AromaticContact CD2-CD1 3.71Å; F187-F208 HydrophobicContact CD2-CD1 3.71Å; F187-F208 AromaticContact CD2-CE1 3.88Å; F187-F208 HydrophobicContact CD2-CE1 3.88Å; F187-F208 HydrophobicContact CG-CD1 4.46Å; F187-F208 HydrophobicContact CG-CE1 4.29Å; F187-V215 HydrophobicContact CE2-CG2 4.47Å; F187-F228 HydrophobicContact CD2-CZ 4.43Å; F187-F228 HydrophobicContact CE2-CB 4.44Å; F187-F228 AromaticContact CE2-CD1 3.93Å; F187-F228 HydrophobicContact CE2-CD1 3.93Å; F187-F228 AromaticContact CE2-CD2 3.57Å; F187-F228 HydrophobicContact CE2-CD2 3.57Å; F187-F228 AromaticContact CE2-CE1 3.96Å; F187-F228 HydrophobicContact CE2-CE1 3.96Å; F187-F228 AromaticContact CE2-CE2 3.6Å; F187-F228 HydrophobicContact CE2-CE2 3.6Å; F187-F228 AromaticContact CE2-CG 3.73Å; F187-F228 HydrophobicContact CE2-CG 3.73Å; F187-F228 AromaticContact CE2-CZ 3.8Å; F187-F228 HydrophobicContact CE2-CZ 3.8Å; F187-F228 AromaticContact CZ-CD2 3.76Å; F187-F228 HydrophobicContact CZ-CD2 3.76Å; F187-F228 HydrophobicContact CZ-CE2 4.06Å; F187-F228 HydrophobicContact CZ-CG 4.13Å; F187-Y231 HydrophobicContact CB-CE1 3.87Å; F187-Y231 WeakPolarHBondContact CB-OH 3.26Å; F187-Y231 AromaticContact CD1-CE1 3.91Å; F187-Y231 HydrophobicContact CD1-CE1 3.91Å; F187-Y231 AromaticContact CD2-CD1 3.88Å; F187-Y231 HydrophobicContact CD2-CD1 3.88Å; F187-Y231 AromaticContact CD2-CE1 3.46Å; F187-Y231 HydrophobicContact CD2-CE1 3.46Å; F187-Y231 VanDerWaalsContact CD2-CE1 3.46Å; F187-Y231 HydrophobicContact CE1-CE1 4.33Å; F187-Y231 AromaticContact CE2-CD1 3.87Å; F187-Y231 HydrophobicContact CE2-CD1 3.87Å; F187-Y231 AromaticContact CE2-CE1 3.91Å; F187-Y231 HydrophobicContact CE2-CE1 3.91Å; F187-Y231 HydrophobicContact CG-CD1 4.26Å; F187-Y231 AromaticContact CG-CE1 3.45Å; F187-Y231 HydrophobicContact CG-CE1 3.45Å; F187-Y231 VanDerWaalsContact CG-CE1 3.45Å; F187-Y231 HydrophobicContact CZ-CD1 4.27Å; F187-Y231 HydrophobicContact CZ-CE1 4.33Å; F187-L232 HydrophobicContact CD1-CD2 4.45Å; F187-L232 HydrophobicContact CE1-CD1 4.49Å; F187-L232 HydrophobicContact CE1-CD2 3.75Å; F187-L232 HydrophobicContact CE1-CG 4.26Å; F187-L232 HydrophobicContact CZ-CD1 4.33Å; F187-L232 HydrophobicContact CZ-CD2 4.21Å; F187-L232 HydrophobicContact CZ-CG 4.22Å
188F63.1Low74Confident68 Ų6866 Ų6630%0.29832%0.318SS..Hα-helixtrans-77.8-18.9-177.6-74.5-70.3000113.8N184 L185 E190 L232 L315 L351 Y352N184-F188 WeakPolarHBondContact O-CD2 3.28Å; N184-F188 PolarHBondContact O-N 3.37Å; L185-F188 CarbonylContact O-C 3.59Å; L185-F188 PolarHBondContact O-N 3.08Å; F188-E190 VanDerWaalsContact C-N 3.27Å; F188-L232 HydrophobicContact CE1-CD2 4.45Å; F188-L232 HydrophobicContact CZ-CD2 3.81Å; F188-L315 HydrophobicContact CB-CD2 4.21Å; F188-L315 HydrophobicContact CD2-CD2 3.3Å; F188-L315 HydrophobicContact CE2-CD2 3.86Å; F188-L315 HydrophobicContact CG-CD2 3.92Å; F188-L351 HydrophobicContact CE1-CD1 3.86Å; F188-L351 HydrophobicContact CE1-CG 4.48Å; F188-L351 HydrophobicContact CE2-CD1 4Å; F188-L351 HydrophobicContact CE2-CD2 4.13Å; F188-L351 HydrophobicContact CE2-CG 4.03Å; F188-L351 HydrophobicContact CZ-CD1 3.56Å; F188-L351 HydrophobicContact CZ-CD2 4.33Å; F188-L351 HydrophobicContact CZ-CG 3.72Å; F188-Y352 HydrophobicContact CE2-CE1 4.47Å
189Q72.3Confident74.4Confident82 Ų8266.4 Ų66.438%0.38332%0.321SS..THydrogen-bonded Turntrans-85.33.7169.4-71.6165.9-53.700112.6L185 A186 E191 E257L185-Q189 WeakPolarHBondContact O-CB 3.4Å; L185-Q189 WeakPolarHBondContact O-CG 3.29Å; L185-Q189 PolarHBondContact O-N 3.09Å; L185-Q189 PolarHBondContact O-OE1 3.31Å; A186-Q189 PolarHBondContact O-N 2.93Å; Q189-E191 HydrophobicContact CB-CG 4.34Å; Q189-E191 PolarHBondContact O-N 2.96Å; Q189-E257 PolarHBondContact NE2-OE2 3Å
190E63.9Low73.6Confident135 Ų13572.3 Ų72.363%0.63135%0.351SS*.THydrogen-bonded Turntrans5630.7-175.1-60.5-172.9177.300114A186 F187 F188 H210A186-E190 PolarHBondContact O-N 2.67Å; F187-E190 PolarHBondContact O-N 2.71Å; F188-E190 VanDerWaalsContact C-N 3.27Å; E190-H210 PolarHBondContact O-NE2 3.21Å
191E79.6Confident73.1Confident86 Ų8673.4 Ų73.440%0.40237%0.373SS..  trans-61.7145.7170.1-63.3-167.8149.800110.7A186 Q189 F208 H210A186-E191 WeakPolarHBondContact CA-OE2 3.49Å; A186-E191 HydrophobicContact CB-CB 4.14Å; A186-E191 HydrophobicContact CB-CG 4.29Å; A186-E191 WeakPolarHBondContact CB-OE2 3.28Å; A186-E191 WeakPolarHBondContact O-CB 3.46Å; A186-E191 PolarHBondContact O-N 3.3Å; Q189-E191 HydrophobicContact CB-CG 4.34Å; Q189-E191 PolarHBondContact O-N 2.96Å; E191-F208 WeakPolarHBondContact O-CB 3.45Å; E191-F208 VanDerWaalsContact O-CD2 3.28Å; E191-F208 WeakPolarHBondContact O-CD2 3.42Å; E191-H210 PolarHBondContact O-NE2 3.42Å
192T83.8Confident72.8Confident81 Ų8170.8 Ų70.850%0.49737%0.371SS..SBendtrans-79.9-35.3176.9-44.20000112.5H207 F208T192-H207 CarbonylContact O-C 3.6Å; T192-H207 WeakPolarHBondContact O-CA 3.06Å; T192-H207 PolarHBondContact O-ND1 3.39Å; T192-F208 PolarHBondContact O-N 3.27Å
193D88.4Confident72.5Confident76 Ų7669.9 Ų69.941%0.40636%0.364SS..EExtended strand (participates in β ladder)trans-146.4124.2-171.8-70.3-78000111.3H205 V206 H207D193-H205 IonicContact OD1-CE1 2.72Å; D193-H205 PolarHBondContact OD1-CE1 2.93Å; D193-H205 IonicContact OD1-NE2 2.69Å; D193-V206 CarbonylContact C-O 3.45Å; D193-V206 WeakPolarHBondContact CA-O 3.46Å; D193-H207 WeakPolarHBondContact OD1-CB 3.26Å; D193-H207 IonicContact OD1-CE1 2.66Å; D193-H207 IonicContact OD1-CG 2.71Å; D193-H207 IonicContact OD1-ND1 4Å; D193-H207 PolarHBondContact OD1-ND1 2.71Å; D193-H207 IonicContact OD2-CE1 2.68Å; D193-H207 IonicContact OD2-ND1 3.66Å; D193-H207 PolarHBondContact OD2-ND1 3.27Å
194F87.4Confident72.7Confident23 Ų2369.7 Ų69.710%0.10136%0.363CS..EExtended strand (participates in β ladder)trans-108.4137.4170.7172.6-93.1000110.9L179 K182 I183 A186 V206 F208L179-F194 HydrophobicContact CD1-CE1 4.46Å; K182-F194 HydrophobicContact CB-CE2 3.55Å; K182-F194 HydrophobicContact CB-CZ 3.54Å; K182-F194 HydrophobicContact CD-CE2 4.42Å; K182-F194 HydrophobicContact CD-CZ 4.36Å; I183-F194 HydrophobicContact CB-CD1 4.38Å; I183-F194 HydrophobicContact CG1-CD1 3.82Å; I183-F194 HydrophobicContact CG1-CE1 3.64Å; I183-F194 HydrophobicContact CG1-CZ 4.43Å; I183-F194 HydrophobicContact CG2-CD1 4.5Å; A186-F194 HydrophobicContact CB-CB 3.78Å; A186-F194 HydrophobicContact CB-CD2 4.08Å; A186-F194 HydrophobicContact CB-CG 4.21Å; F194-V206 HydrophobicContact CB-CB 4.35Å; F194-V206 HydrophobicContact CD1-CG2 4.39Å; F194-V206 PolarHBondContact N-O 2.9Å; F194-V206 PolarHBondContact O-N 3.36Å; F194-F208 HydrophobicContact CB-CE2 3.92Å
195E88.1Confident73.3Confident69 Ų6971.2 Ų71.232%0.32237%0.37SS..EExtended strand (participates in β ladder)trans-132.1139.2180-156.3-160.4143.600113.7K197 R203E195-K197 WeakPolarHBondContact OE1-CE 3.3Å; E195-K197 WeakPolarHBondContact OE1-CG 3.5Å; E195-K197 IonicContact OE1-NZ 2.65Å; E195-R203 HydrophobicContact CG-CG 4.3Å; E195-R203 IonicContact OE1-CZ 3.54Å; E195-R203 IonicContact OE1-NE 2.67Å; E195-R203 PolarHBondContact OE1-NE 3.01Å; E195-R203 IonicContact OE1-NH2 2.86Å; E195-R203 PolarHBondContact OE1-NH2 3.15Å; E195-R203 IonicContact OE2-CZ 3.36Å; E195-R203 IonicContact OE2-NE 2.9Å; E195-R203 IonicContact OE2-NH2 3.29Å; E195-R203 PolarHBondContact OE2-NH2 3.42Å
196Y79Confident73.9Confident74 Ų7470.2 Ų70.229%0.2937%0.365SS..EExtended strand (participates in β ladder)trans-132.2120.9169.9177.1-104.3000112.5L179 P198 L204L179-Y196 HydrophobicContact CD1-CD1 3.37Å; L179-Y196 HydrophobicContact CD1-CD2 3.71Å; L179-Y196 HydrophobicContact CD1-CE1 3.88Å; L179-Y196 HydrophobicContact CD1-CE2 4.21Å; L179-Y196 HydrophobicContact CD1-CG 3.24Å; L179-Y196 HydrophobicContact CD2-CD1 3.54Å; L179-Y196 HydrophobicContact CD2-CE1 3.97Å; L179-Y196 HydrophobicContact CD2-CG 4.25Å; L179-Y196 HydrophobicContact CG-CD1 4.09Å; L179-Y196 HydrophobicContact CG-CE1 4.45Å; L179-Y196 HydrophobicContact CG-CG 4.39Å; Y196-P198 HydrophobicContact CD1-CB 4.48Å; Y196-P198 HydrophobicContact CE1-CB 3.73Å; Y196-P198 HydrophobicContact CE1-CG 4.22Å; Y196-P198 WeakPolarHBondContact O-CD 3.26Å; Y196-L204 PolarHBondContact N-O 3.42Å; Y196-L204 PolarHBondContact O-N 3.25Å
197K79.1Confident74.6Confident156 Ų15672.8 Ų72.868%0.67838%0.377SS*.  trans-102101.2172.9-59.3176.5-171.1173.60108.9E195E195-K197 WeakPolarHBondContact OE1-CE 3.3Å; E195-K197 WeakPolarHBondContact OE1-CG 3.5Å; E195-K197 IonicContact OE1-NZ 2.65Å
198P64.3Low74.7Confident34 Ų3472 Ų7222%0.22137%0.373CS..  trans-68.2150.8169.729.4-33.3000110.3Y196 I200 A202Y196-P198 HydrophobicContact CD1-CB 4.48Å; Y196-P198 HydrophobicContact CE1-CB 3.73Å; Y196-P198 HydrophobicContact CE1-CG 4.22Å; Y196-P198 WeakPolarHBondContact O-CD 3.26Å; P198-I200 PolarHBondContact O-N 3.28Å; P198-A202 WeakPolarHBondContact CG-O 3.28Å
199T63.9Low75.4Confident151 Ų15170.1 Ų70.193%0.92637%0.366SS*.SBendtrans-62.3-30.3177-430000112.5
200I49.6Very low75Confident163 Ų16368.6 Ų68.684%0.83636%0.359SS*.SBendtrans-138.6127.2173.5-58.4177.3000107.6P198P198-I200 PolarHBondContact O-N 3.28Å
201G56.2Low74.7Confident62 Ų6268.1 Ų68.164%0.63936%0.357SS*.SBendtrans119.1-178.6179.400000113.8
202A60.1Low73.9Confident35 Ų3570.3 Ų70.329%0.28937%0.365SS..PPolyproline II helixtrans-75.4136.4-179.300000112.6P198 R219 N220P198-A202 WeakPolarHBondContact CG-O 3.28Å; A202-R219 HydrophobicContact CB-CG 4.11Å; A202-N220 WeakPolarHBondContact CB-O 3.31Å
203R73Confident72.9Confident114 Ų11471.3 Ų71.343%0.4336%0.364SS..PPolyproline II helixtrans-47.8134.2164.8-177.1-169.9-166.4-152.9-0.3110.1E195 R219E195-R203 HydrophobicContact CG-CG 4.3Å; E195-R203 IonicContact OE1-CZ 3.54Å; E195-R203 IonicContact OE1-NE 2.67Å; E195-R203 PolarHBondContact OE1-NE 3.01Å; E195-R203 IonicContact OE1-NH2 2.86Å; E195-R203 PolarHBondContact OE1-NH2 3.15Å; E195-R203 IonicContact OE2-CZ 3.36Å; E195-R203 IonicContact OE2-NE 2.9Å; E195-R203 IonicContact OE2-NH2 3.29Å; E195-R203 PolarHBondContact OE2-NH2 3.42Å; R203-R219 WeakPolarHBondContact O-CA 3.13Å
204L78.7Confident72.1Confident12 Ų1270.5 Ų70.56%0.06336%0.358CS..EExtended strand (participates in β ladder)trans-99.5132.7160.8-179.772.8000108.3L179 I183 Y196 V206 I217 Q218 R219L179-L204 HydrophobicContact CD1-CD2 4.36Å; L179-L204 HydrophobicContact CD2-CB 4.06Å; L179-L204 HydrophobicContact CD2-CD2 3.46Å; L179-L204 VanDerWaalsContact CD2-CD2 3.46Å; L179-L204 HydrophobicContact CD2-CG 4.35Å; L179-L204 HydrophobicContact CG-CD2 3.89Å; I183-L204 HydrophobicContact CD1-CD2 3.65Å; I183-L204 HydrophobicContact CG1-CD2 4.33Å; Y196-L204 PolarHBondContact N-O 3.42Å; Y196-L204 PolarHBondContact O-N 3.25Å; L204-V206 HydrophobicContact CD1-CG2 4.41Å; L204-V206 HydrophobicContact CD2-CG2 4.15Å; L204-V206 HydrophobicContact CG-CG2 4.13Å; L204-I217 HydrophobicContact CD1-CG2 3.79Å; L204-Q218 CarbonylContact C-O 3.48Å; L204-Q218 WeakPolarHBondContact CA-O 3.48Å; L204-R219 HydrophobicContact CD1-CB 3.88Å; L204-R219 HydrophobicContact CD1-CG 4.47Å
205H84.9Confident71.4Confident33 Ų3369.4 Ų69.415%0.15335%0.353CS..EExtended strand (participates in β ladder)trans-125.3140.6169.7-172.7-93.7000108.6D193 Q218D193-H205 IonicContact OD1-CE1 2.72Å; D193-H205 PolarHBondContact OD1-CE1 2.93Å; D193-H205 IonicContact OD1-NE2 2.69Å; H205-Q218 HydrophobicContact CB-CB 4.47Å; H205-Q218 PolarHBondContact N-O 3.41Å; H205-Q218 PolarHBondContact O-N 3.25Å
206V87.1Confident71.1Confident0 Ų067.8 Ų67.80%035%0.346CS..EExtended strand (participates in β ladder)trans-134.8117.6177.3-176.70000108.9I183 D193 F194 L204 F208 V215 M216 I217I183-V206 HydrophobicContact CG2-CB 4.27Å; I183-V206 HydrophobicContact CG2-CG1 4.04Å; I183-V206 HydrophobicContact CG2-CG2 3.92Å; D193-V206 CarbonylContact C-O 3.45Å; D193-V206 WeakPolarHBondContact CA-O 3.46Å; F194-V206 HydrophobicContact CB-CB 4.35Å; F194-V206 HydrophobicContact CD1-CG2 4.39Å; F194-V206 PolarHBondContact N-O 2.9Å; F194-V206 PolarHBondContact O-N 3.36Å; L204-V206 HydrophobicContact CD1-CG2 4.41Å; L204-V206 HydrophobicContact CD2-CG2 4.15Å; L204-V206 HydrophobicContact CG-CG2 4.13Å; V206-F208 HydrophobicContact CB-CE2 4.48Å; V206-F208 HydrophobicContact CB-CZ 4.25Å; V206-F208 HydrophobicContact CG1-CD1 4.21Å; V206-F208 HydrophobicContact CG1-CE1 3.55Å; V206-F208 HydrophobicContact CG1-CE2 3.98Å; V206-F208 HydrophobicContact CG1-CZ 3.44Å; V206-F208 VanDerWaalsContact CG1-CZ 3.44Å; V206-V215 HydrophobicContact CG1-CG1 3.46Å; V206-V215 VanDerWaalsContact CG1-CG1 3.46Å; V206-M216 CarbonylContact C-O 3.58Å; V206-M216 VanDerWaalsContact CA-O 3.22Å; V206-M216 WeakPolarHBondContact CA-O 3.45Å; V206-I217 HydrophobicContact CG1-CG1 4.12Å; V206-I217 HydrophobicContact CG2-CG1 4.3Å; V206-I217 HydrophobicContact CG2-CG2 4.25Å
207H89.8Confident71.1Confident56 Ų5665 Ų6526%0.25934%0.336SS..EExtended strand (participates in β ladder)trans-105.7130.2177.4179.977.1000110T192 D193 V215 M216T192-H207 CarbonylContact O-C 3.6Å; T192-H207 WeakPolarHBondContact O-CA 3.06Å; T192-H207 PolarHBondContact O-ND1 3.39Å; D193-H207 WeakPolarHBondContact OD1-CB 3.26Å; D193-H207 IonicContact OD1-CE1 2.66Å; D193-H207 IonicContact OD1-CG 2.71Å; D193-H207 IonicContact OD1-ND1 4Å; D193-H207 PolarHBondContact OD1-ND1 2.71Å; D193-H207 IonicContact OD2-CE1 2.68Å; D193-H207 IonicContact OD2-ND1 3.66Å; D193-H207 PolarHBondContact OD2-ND1 3.27Å; H207-V215 WeakPolarHBondContact O-CA 3.24Å; H207-M216 HydrophobicContact CB-CB 4.29Å; H207-M216 HydrophobicContact CB-CE 3.93Å; H207-M216 PolarHBondContact N-O 2.8Å; H207-M216 PolarHBondContact O-N 3.19Å
208F76.9Confident70.7Confident1 Ų160.1 Ų60.10%0.00432%0.315CS..EExtended strand (participates in β ladder)trans-108.997.2-178.3-55.7-74.1000109.9I183 A186 F187 E191 T192 F194 V206 H210 V215 Y231I183-F208 HydrophobicContact CG2-CZ 4.02Å; I183-F208 WeakPolarHBondContact O-CZ 3.28Å; A186-F208 HydrophobicContact CB-CE2 3.74Å; A186-F208 HydrophobicContact CB-CZ 4.23Å; F187-F208 HydrophobicContact CB-CD1 4.21Å; F187-F208 HydrophobicContact CB-CE1 3.72Å; F187-F208 HydrophobicContact CB-CZ 3.96Å; F187-F208 AromaticContact CD2-CD1 3.71Å; F187-F208 HydrophobicContact CD2-CD1 3.71Å; F187-F208 AromaticContact CD2-CE1 3.88Å; F187-F208 HydrophobicContact CD2-CE1 3.88Å; F187-F208 HydrophobicContact CG-CD1 4.46Å; F187-F208 HydrophobicContact CG-CE1 4.29Å; E191-F208 WeakPolarHBondContact O-CB 3.45Å; E191-F208 VanDerWaalsContact O-CD2 3.28Å; E191-F208 WeakPolarHBondContact O-CD2 3.42Å; T192-F208 PolarHBondContact O-N 3.27Å; F194-F208 HydrophobicContact CB-CE2 3.92Å; V206-F208 HydrophobicContact CB-CE2 4.48Å; V206-F208 HydrophobicContact CB-CZ 4.25Å; V206-F208 HydrophobicContact CG1-CD1 4.21Å; V206-F208 HydrophobicContact CG1-CE1 3.55Å; V206-F208 HydrophobicContact CG1-CE2 3.98Å; V206-F208 HydrophobicContact CG1-CZ 3.44Å; V206-F208 VanDerWaalsContact CG1-CZ 3.44Å; F208-H210 PolarHBondContact O-CD2 3.08Å; F208-H210 PolarHBondContact O-N 3.23Å; F208-V215 HydrophobicContact CD1-CB 4.32Å; F208-V215 HydrophobicContact CD1-CG1 3.65Å; F208-V215 HydrophobicContact CD1-CG2 3.81Å; F208-V215 HydrophobicContact CE1-CG1 3.67Å; F208-V215 HydrophobicContact CE1-CG2 4.27Å; F208-Y231 HydrophobicContact CE1-CE1 4.47Å; F208-Y231 HydrophobicContact CE1-CE2 4.09Å; F208-Y231 AromaticContact CE1-CZ 3.88Å
209D76.8Confident71Confident29 Ų2963.3 Ų63.316%0.15532%0.323CS..EExtended strand (participates in β ladder)trans-81.686.4175.2-168-32000109.7E211 K212 Q213 Q214D209-E211 VanDerWaalsContact C-N 3.29Å; D209-E211 PolarHBondContact O-N 2.98Å; D209-E211 PolarHBondContact OD1-N 2.83Å; D209-K212 HydrophobicContact CB-CB 4.31Å; D209-K212 PolarHBondContact O-N 3.11Å; D209-K212 WeakPolarHBondContact OD1-CB 3.49Å; D209-K212 WeakPolarHBondContact OD1-CG 3.36Å; D209-K212 PolarHBondContact OD1-N 3.39Å; D209-K212 IonicContact OD1-NZ 3.63Å; D209-K212 VanDerWaalsContact OD2-CD 3.22Å; D209-K212 WeakPolarHBondContact OD2-CD 3.38Å; D209-K212 WeakPolarHBondContact OD2-CE 3.11Å; D209-K212 WeakPolarHBondContact OD2-CG 3.47Å; D209-K212 IonicContact OD2-NZ 2.88Å; D209-K212 PolarHBondContact OD2-NZ 3.33Å; D209-Q213 VanDerWaalsContact O-CA 3.31Å; D209-Q213 WeakPolarHBondContact O-CA 3.4Å; D209-Q213 PolarHBondContact O-N 2.79Å; D209-Q214 HydrophobicContact CB-CB 4.48Å; D209-Q214 WeakPolarHBondContact CB-O 3.46Å; D209-Q214 PolarHBondContact N-O 2.87Å; D209-Q214 PolarHBondContact O-N 3.34Å; D209-Q214 VanDerWaalsContact O-N 3.09Å
210H64.9Low70.8Confident50 Ų5061.1 Ų61.123%0.23131%0.305CS..THydrogen-bonded Turntrans-64.9-27.8-179.5-64.1-76.8000113.1E190 E191 F208 Q213 F228E190-H210 PolarHBondContact O-NE2 3.21Å; E191-H210 PolarHBondContact O-NE2 3.42Å; F208-H210 PolarHBondContact O-CD2 3.08Å; F208-H210 PolarHBondContact O-N 3.23Å; H210-Q213 PolarHBondContact O-NE2 2.93Å; H210-F228 HydrophobicContact CB-CZ 4.41Å; H210-F228 AromaticContact CE1-CZ 3.89Å; H210-F228 AromaticContact CG-CZ 3.97Å; H210-F228 AromaticContact ND1-CE2 3.51Å; H210-F228 AromaticContact ND1-CZ 3.35Å; H210-F228 WeakPolarHBondContact ND1-CZ 3.34Å
211E56.7Low70.9Confident125 Ų12559.7 Ų59.758%0.58431%0.307SS*.THydrogen-bonded Turntrans-71.7-40.8174.4-70.3-156.2146.100112D209 R687D209-E211 VanDerWaalsContact C-N 3.29Å; D209-E211 PolarHBondContact O-N 2.98Å; D209-E211 PolarHBondContact OD1-N 2.83Å; E211-R687 WeakPolarHBondContact OE1-CG 3.49Å; E211-R687 IonicContact OE1-CZ 3.25Å; E211-R687 IonicContact OE1-NE 2.78Å; E211-R687 PolarHBondContact OE1-NE 3.4Å; E211-R687 IonicContact OE1-NH2 2.67Å; E211-R687 PolarHBondContact OE1-NH2 3.24Å; E211-R687 VanDerWaalsContact OE1-NH2 3.08Å; E211-R687 IonicContact OE2-NH2 2.88Å; E211-R687 PolarHBondContact OE2-NH2 3.33Å; E211-R687 VanDerWaalsContact OE2-NH2 3.08Å
212K63.6Low71.2Confident133 Ų13360.6 Ų60.658%0.57830%0.3SS*.THydrogen-bonded Turntrans-89-9178.2-60.1-173.9-162.6680114.1D209 Q214D209-K212 HydrophobicContact CB-CB 4.31Å; D209-K212 PolarHBondContact O-N 3.11Å; D209-K212 WeakPolarHBondContact OD1-CB 3.49Å; D209-K212 WeakPolarHBondContact OD1-CG 3.36Å; D209-K212 PolarHBondContact OD1-N 3.39Å; D209-K212 IonicContact OD1-NZ 3.63Å; D209-K212 VanDerWaalsContact OD2-CD 3.22Å; D209-K212 WeakPolarHBondContact OD2-CD 3.38Å; D209-K212 WeakPolarHBondContact OD2-CE 3.11Å; D209-K212 WeakPolarHBondContact OD2-CG 3.47Å; D209-K212 IonicContact OD2-NZ 2.88Å; D209-K212 PolarHBondContact OD2-NZ 3.33Å; K212-Q214 HydrophobicContact CB-CB 4.49Å; K212-Q214 HydrophobicContact CB-CG 4.33Å
213Q62Low71.7Confident102 Ų10263.5 Ų63.548%0.47731%0.307SS..THydrogen-bonded Turntrans54.949.4-170.6-58.9-78.4-76.900111.6D209 H210 T227 F228D209-Q213 VanDerWaalsContact O-CA 3.31Å; D209-Q213 WeakPolarHBondContact O-CA 3.4Å; D209-Q213 PolarHBondContact O-N 2.79Å; H210-Q213 PolarHBondContact O-NE2 2.93Å; Q213-T227 CarbonylContact O-C 3.5Å; Q213-T227 WeakPolarHBondContact O-CA 3.2Å; Q213-F228 HydrophobicContact CB-CB 4.2Å; Q213-F228 HydrophobicContact CB-CD1 4.39Å; Q213-F228 HydrophobicContact CB-CD2 4.16Å; Q213-F228 HydrophobicContact CB-CG 3.98Å; Q213-F228 VanDerWaalsContact CD-CD2 3.49Å; Q213-F228 HydrophobicContact CG-CD2 4.43Å; Q213-F228 WeakPolarHBondContact O-CD1 3.29Å; Q213-F228 PolarHBondContact O-N 3.2Å; Q213-F228 VanDerWaalsContact OE1-CD2 3.31Å
214Q72.2Confident71.3Confident59 Ų5961.6 Ų61.628%0.27630%0.304SS..EExtended strand (participates in β ladder)trans-129.9142.5179.8-70.2-175.22.200112.8D209 K212 L226 F228D209-Q214 HydrophobicContact CB-CB 4.48Å; D209-Q214 WeakPolarHBondContact CB-O 3.46Å; D209-Q214 PolarHBondContact N-O 2.87Å; D209-Q214 PolarHBondContact O-N 3.34Å; D209-Q214 VanDerWaalsContact O-N 3.09Å; K212-Q214 HydrophobicContact CB-CB 4.49Å; K212-Q214 HydrophobicContact CB-CG 4.33Å; Q214-L226 CarbonylContact C-O 3.6Å; Q214-L226 VanDerWaalsContact CA-O 3.25Å; Q214-L226 WeakPolarHBondContact CA-O 3.39Å; Q214-F228 VanDerWaalsContact N-CD1 3.29Å; Q214-F228 WeakPolarHBondContact O-CE1 3.31Å
215V73.3Confident71Confident0 Ų064 Ų640%032%0.317CS..EExtended strand (participates in β ladder)trans-114.9118.9175.2-169.80000109.5F187 V206 H207 F208 I217 L226 F228 Y231F187-V215 HydrophobicContact CE2-CG2 4.47Å; V206-V215 HydrophobicContact CG1-CG1 3.46Å; V206-V215 VanDerWaalsContact CG1-CG1 3.46Å; H207-V215 WeakPolarHBondContact O-CA 3.24Å; F208-V215 HydrophobicContact CD1-CB 4.32Å; F208-V215 HydrophobicContact CD1-CG1 3.65Å; F208-V215 HydrophobicContact CD1-CG2 3.81Å; F208-V215 HydrophobicContact CE1-CG1 3.67Å; F208-V215 HydrophobicContact CE1-CG2 4.27Å; V215-I217 HydrophobicContact CG1-CD1 4.48Å; V215-I217 HydrophobicContact CG1-CG1 3.98Å; V215-L226 PolarHBondContact N-O 3Å; V215-L226 PolarHBondContact O-N 3.29Å; V215-F228 HydrophobicContact CG2-CD1 3.55Å; V215-F228 HydrophobicContact CG2-CE1 3.69Å; V215-Y231 HydrophobicContact CB-CD2 3.95Å; V215-Y231 HydrophobicContact CB-CG 4.14Å; V215-Y231 HydrophobicContact CG1-CD2 3.77Å; V215-Y231 HydrophobicContact CG1-CE2 4.04Å; V215-Y231 HydrophobicContact CG1-CG 4.4Å; V215-Y231 HydrophobicContact CG2-CD1 4.02Å; V215-Y231 HydrophobicContact CG2-CD2 3.83Å; V215-Y231 HydrophobicContact CG2-CE2 4.46Å; V215-Y231 HydrophobicContact CG2-CG 3.57Å
216M82Confident70.1Confident35 Ų3564.1 Ų64.117%0.17232%0.319CS..EExtended strand (participates in β ladder)trans-93.5128.5169178.4-87-8300108.8V206 H207 Q218 E223 M224 N225V206-M216 CarbonylContact C-O 3.58Å; V206-M216 VanDerWaalsContact CA-O 3.22Å; V206-M216 WeakPolarHBondContact CA-O 3.45Å; H207-M216 HydrophobicContact CB-CB 4.29Å; H207-M216 HydrophobicContact CB-CE 3.93Å; H207-M216 PolarHBondContact N-O 2.8Å; H207-M216 PolarHBondContact O-N 3.19Å; M216-Q218 HydrophobicContact SD-CB 3.6Å; M216-Q218 VanDerWaalsContact SD-CB 3.6Å; M216-E223 HydrophobicContact CG-CG 3.83Å; M216-E223 HydrophobicContact SD-CG 4.12Å; M216-M224 CarbonylContact C-O 3.52Å; M216-M224 WeakPolarHBondContact CA-O 3.29Å; M216-N225 VanDerWaalsContact CB-OD1 3.28Å; M216-N225 WeakPolarHBondContact CB-OD1 3.37Å; M216-N225 WeakPolarHBondContact CG-OD1 3.34Å
217I78.5Confident69.2Low16 Ų1664.6 Ų64.68%0.08232%0.322CS..EExtended strand (participates in β ladder)trans-122107.5179.6-57.8178.1000107.7L204 V206 V215 E223 M224 L226 Y231L204-I217 HydrophobicContact CD1-CG2 3.79Å; V206-I217 HydrophobicContact CG1-CG1 4.12Å; V206-I217 HydrophobicContact CG2-CG1 4.3Å; V206-I217 HydrophobicContact CG2-CG2 4.25Å; V215-I217 HydrophobicContact CG1-CD1 4.48Å; V215-I217 HydrophobicContact CG1-CG1 3.98Å; I217-E223 CarbonylContact O-C 3.53Å; I217-E223 WeakPolarHBondContact O-CA 3.27Å; I217-M224 HydrophobicContact CB-CB 4.48Å; I217-M224 HydrophobicContact CB-CE 4.25Å; I217-M224 HydrophobicContact CG2-CE 3.98Å; I217-M224 PolarHBondContact N-O 2.94Å; I217-M224 PolarHBondContact O-N 2.71Å; I217-L226 HydrophobicContact CD1-CD1 4Å; I217-Y231 HydrophobicContact CD1-CD2 4.33Å
218Q71.1Confident68.1Low53 Ų5362.7 Ų62.725%0.24831%0.313CS..EExtended strand (participates in β ladder)trans-112.9124.3-177.4-175.8-179.38200111.2L204 H205 M216 V222 E223L204-Q218 CarbonylContact C-O 3.48Å; L204-Q218 WeakPolarHBondContact CA-O 3.48Å; H205-Q218 HydrophobicContact CB-CB 4.47Å; H205-Q218 PolarHBondContact N-O 3.41Å; H205-Q218 PolarHBondContact O-N 3.25Å; M216-Q218 HydrophobicContact SD-CB 3.6Å; M216-Q218 VanDerWaalsContact SD-CB 3.6Å; Q218-V222 CarbonylContact C-O 3.58Å; Q218-V222 WeakPolarHBondContact CA-O 3.38Å; Q218-E223 HydrophobicContact CB-CG 4.22Å; Q218-E223 HydrophobicContact CG-CB 4.46Å; Q218-E223 PolarHBondContact NE2-OE2 2.65Å
219R70.4Confident66.9Low101 Ų10163.6 Ų63.638%0.38132%0.318SS..EExtended strand (participates in β ladder)trans-139.891.3173.5-171179178-146.8-2.6109Q176 A202 R203 L204 V222Q176-R219 VanDerWaalsContact OE1-CZ 3.25Å; A202-R219 HydrophobicContact CB-CG 4.11Å; R203-R219 WeakPolarHBondContact O-CA 3.13Å; L204-R219 HydrophobicContact CD1-CB 3.88Å; L204-R219 HydrophobicContact CD1-CG 4.47Å; R219-V222 CarbonylContact C-O 3.6Å; R219-V222 PolarHBondContact N-O 2.96Å; R219-V222 PolarHBondContact O-N 3.18Å
220N59.7Low66.1Low104 Ų10465.6 Ų65.656%0.55633%0.326SS*.THydrogen-bonded Turntrans-45.8129.4-165.1-71.92000113.7A202A202-N220 WeakPolarHBondContact CB-O 3.31Å
221P51Low66.2Low133 Ų13363.2 Ų63.286%0.86432%0.315SS*.THydrogen-bonded Turncis-88.43.26.336.8-37.5000115.2
222V63.6Low66.6Low81 Ų8158.9 Ų58.949%0.49130%0.296SS..EExtended strand (participates in β ladder)trans-83.5136.9-173.2-177.30000111.2Q218 R219 M224Q218-V222 CarbonylContact C-O 3.58Å; Q218-V222 WeakPolarHBondContact CA-O 3.38Å; R219-V222 CarbonylContact C-O 3.6Å; R219-V222 PolarHBondContact N-O 2.96Å; R219-V222 PolarHBondContact O-N 3.18Å; V222-M224 HydrophobicContact CG1-CG 4.15Å
223E70.4Confident66.4Low96 Ų9654 Ų5445%0.44928%0.277SS..EExtended strand (participates in β ladder)trans-131135.9166.6-171.1-177.3114.600109.8M216 I217 Q218 N225M216-E223 HydrophobicContact CG-CG 3.83Å; M216-E223 HydrophobicContact SD-CG 4.12Å; I217-E223 CarbonylContact O-C 3.53Å; I217-E223 WeakPolarHBondContact O-CA 3.27Å; Q218-E223 HydrophobicContact CB-CG 4.22Å; Q218-E223 HydrophobicContact CG-CB 4.46Å; Q218-E223 PolarHBondContact NE2-OE2 2.65Å; E223-N225 PolarHBondContact OE1-ND2 2.92Å
224M63.3Low66.3Low75 Ų7553.9 Ų53.937%0.36927%0.273SS..EExtended strand (participates in β ladder)trans-126.8129.4177.8-60.6-177.7-65.300109.4M216 I217 V222M216-M224 CarbonylContact C-O 3.52Å; M216-M224 WeakPolarHBondContact CA-O 3.29Å; I217-M224 HydrophobicContact CB-CB 4.48Å; I217-M224 HydrophobicContact CB-CE 4.25Å; I217-M224 HydrophobicContact CG2-CE 3.98Å; I217-M224 PolarHBondContact N-O 2.94Å; I217-M224 PolarHBondContact O-N 2.71Å; V222-M224 HydrophobicContact CG1-CG 4.15Å
225N74Confident66Low63 Ų6351.2 Ų51.234%0.33726%0.261SS..EExtended strand (participates in β ladder)trans-116.7102.9-179.7-75.9-83.2000109.6M216 E223M216-N225 VanDerWaalsContact CB-OD1 3.28Å; M216-N225 WeakPolarHBondContact CB-OD1 3.37Å; M216-N225 WeakPolarHBondContact CG-OD1 3.34Å; E223-N225 PolarHBondContact OE1-ND2 2.92Å
226L65.9Low65.5Low34 Ų3451.2 Ų51.218%0.17826%0.261CS..EExtended strand (participates in β ladder)trans-102.2154.8-175.8-56.2180000111Q214 V215 I217 Q230 Y234Q214-L226 CarbonylContact C-O 3.6Å; Q214-L226 VanDerWaalsContact CA-O 3.25Å; Q214-L226 WeakPolarHBondContact CA-O 3.39Å; V215-L226 PolarHBondContact N-O 3Å; V215-L226 PolarHBondContact O-N 3.29Å; I217-L226 HydrophobicContact CD1-CD1 4Å; L226-Q230 HydrophobicContact CB-CB 4Å; L226-Q230 HydrophobicContact CD2-CB 4.28Å; L226-Y234 HydrophobicContact CD1-CD1 4.4Å
227T66.8Low64.3Low10 Ų1051.2 Ų51.26%0.06126%0.261CS..EExtended strand (participates in β ladder)trans-71.6160.8157.867.80000110.5Q213 D229 Q230 Y231 V620Q213-T227 CarbonylContact O-C 3.5Å; Q213-T227 WeakPolarHBondContact O-CA 3.2Å; T227-D229 PolarHBondContact O-N 3.26Å; T227-D229 PolarHBondContact OG1-N 2.91Å; T227-Q230 PolarHBondContact O-N 2.82Å; T227-Q230 VanDerWaalsContact O-N 3.16Å; T227-Q230 WeakPolarHBondContact OG1-CG 3.43Å; T227-Q230 PolarHBondContact OG1-N 2.67Å; T227-Q230 VanDerWaalsContact OG1-N 3.07Å; T227-Y231 WeakPolarHBondContact O-CB 3.27Å; T227-Y231 PolarHBondContact O-N 3.22Å; T227-V620 HydrophobicContact CG2-CB 3.84Å; T227-V620 HydrophobicContact CG2-CG1 4.21Å
228F68Low63.4Low16 Ų1651.8 Ų51.87%0.0726%0.264CS..Hα-helixtrans-54.8-32.8171.9-86.621.7000112.2F187 H210 Q213 Q214 V215 L232F187-F228 HydrophobicContact CD2-CZ 4.43Å; F187-F228 HydrophobicContact CE2-CB 4.44Å; F187-F228 AromaticContact CE2-CD1 3.93Å; F187-F228 HydrophobicContact CE2-CD1 3.93Å; F187-F228 AromaticContact CE2-CD2 3.57Å; F187-F228 HydrophobicContact CE2-CD2 3.57Å; F187-F228 AromaticContact CE2-CE1 3.96Å; F187-F228 HydrophobicContact CE2-CE1 3.96Å; F187-F228 AromaticContact CE2-CE2 3.6Å; F187-F228 HydrophobicContact CE2-CE2 3.6Å; F187-F228 AromaticContact CE2-CG 3.73Å; F187-F228 HydrophobicContact CE2-CG 3.73Å; F187-F228 AromaticContact CE2-CZ 3.8Å; F187-F228 HydrophobicContact CE2-CZ 3.8Å; F187-F228 AromaticContact CZ-CD2 3.76Å; F187-F228 HydrophobicContact CZ-CD2 3.76Å; F187-F228 HydrophobicContact CZ-CE2 4.06Å; F187-F228 HydrophobicContact CZ-CG 4.13Å; H210-F228 HydrophobicContact CB-CZ 4.41Å; H210-F228 AromaticContact CE1-CZ 3.89Å; H210-F228 AromaticContact CG-CZ 3.97Å; H210-F228 AromaticContact ND1-CE2 3.51Å; H210-F228 AromaticContact ND1-CZ 3.35Å; H210-F228 WeakPolarHBondContact ND1-CZ 3.34Å; Q213-F228 HydrophobicContact CB-CB 4.2Å; Q213-F228 HydrophobicContact CB-CD1 4.39Å; Q213-F228 HydrophobicContact CB-CD2 4.16Å; Q213-F228 HydrophobicContact CB-CG 3.98Å; Q213-F228 VanDerWaalsContact CD-CD2 3.49Å; Q213-F228 HydrophobicContact CG-CD2 4.43Å; Q213-F228 WeakPolarHBondContact O-CD1 3.29Å; Q213-F228 PolarHBondContact O-N 3.2Å; Q213-F228 VanDerWaalsContact OE1-CD2 3.31Å; Q214-F228 VanDerWaalsContact N-CD1 3.29Å; Q214-F228 WeakPolarHBondContact O-CE1 3.31Å; V215-F228 HydrophobicContact CG2-CD1 3.55Å; V215-F228 HydrophobicContact CG2-CE1 3.69Å; F228-L232 WeakPolarHBondContact O-CB 3.3Å; F228-L232 VanDerWaalsContact O-CG 3.24Å; F228-L232 WeakPolarHBondContact O-CG 3.44Å; F228-L232 PolarHBondContact O-N 3.46Å
229D50.8Low63Low21 Ų2149.5 Ų49.511%0.11225%0.253CS..Hα-helixtrans-74.1-44.1175-171.289.6000113.5T227 Y231 L232 T233 T354 S617T227-D229 PolarHBondContact O-N 3.26Å; T227-D229 PolarHBondContact OG1-N 2.91Å; D229-Y231 PolarHBondContact O-N 3.42Å; D229-L232 PolarHBondContact O-N 3.5Å; D229-T233 WeakPolarHBondContact O-CB 3.11Å; D229-T233 PolarHBondContact O-N 2.87Å; D229-T233 PolarHBondContact O-OG1 3.49Å; D229-T354 WeakPolarHBondContact OD1-CG2 3.45Å; D229-S617 WeakPolarHBondContact OD1-CA 3.2Å; D229-S617 WeakPolarHBondContact OD1-CB 3.23Å; D229-S617 PolarHBondContact OD1-OG 3.19Å; D229-S617 WeakPolarHBondContact OD2-CB 3.34Å; D229-S617 PolarHBondContact OD2-OG 2.83Å
230Q59.6Low62.5Low71 Ų7145.2 Ų45.233%0.33224%0.239SC..Hα-helixtrans-60.1-38.4174.2-74.5171.5-34.400110.7L226 T227 Y234L226-Q230 HydrophobicContact CB-CB 4Å; L226-Q230 HydrophobicContact CD2-CB 4.28Å; T227-Q230 PolarHBondContact O-N 2.82Å; T227-Q230 VanDerWaalsContact O-N 3.16Å; T227-Q230 WeakPolarHBondContact OG1-CG 3.43Å; T227-Q230 PolarHBondContact OG1-N 2.67Å; T227-Q230 VanDerWaalsContact OG1-N 3.07Å; Q230-Y234 WeakPolarHBondContact O-CB 3.46Å; Q230-Y234 PolarHBondContact O-N 2.99Å
231Y67.7Low62.3Low0 Ų042.7 Ų42.70%023%0.228CC..Hα-helixtrans-61.5-55.7171.1172.7-95.6000111.6I183 F187 F208 V215 I217 T227 D229 T233 Y234 M235I183-Y231 HydrophobicContact CG2-CE2 4.29Å; I183-Y231 PolarHBondContact O-OH 2.95Å; I183-Y231 VanDerWaalsContact O-OH 3.1Å; F187-Y231 HydrophobicContact CB-CE1 3.87Å; F187-Y231 WeakPolarHBondContact CB-OH 3.26Å; F187-Y231 AromaticContact CD1-CE1 3.91Å; F187-Y231 HydrophobicContact CD1-CE1 3.91Å; F187-Y231 AromaticContact CD2-CD1 3.88Å; F187-Y231 HydrophobicContact CD2-CD1 3.88Å; F187-Y231 AromaticContact CD2-CE1 3.46Å; F187-Y231 HydrophobicContact CD2-CE1 3.46Å; F187-Y231 VanDerWaalsContact CD2-CE1 3.46Å; F187-Y231 HydrophobicContact CE1-CE1 4.33Å; F187-Y231 AromaticContact CE2-CD1 3.87Å; F187-Y231 HydrophobicContact CE2-CD1 3.87Å; F187-Y231 AromaticContact CE2-CE1 3.91Å; F187-Y231 HydrophobicContact CE2-CE1 3.91Å; F187-Y231 HydrophobicContact CG-CD1 4.26Å; F187-Y231 AromaticContact CG-CE1 3.45Å; F187-Y231 HydrophobicContact CG-CE1 3.45Å; F187-Y231 VanDerWaalsContact CG-CE1 3.45Å; F187-Y231 HydrophobicContact CZ-CD1 4.27Å; F187-Y231 HydrophobicContact CZ-CE1 4.33Å; F208-Y231 HydrophobicContact CE1-CE1 4.47Å; F208-Y231 HydrophobicContact CE1-CE2 4.09Å; F208-Y231 AromaticContact CE1-CZ 3.88Å; V215-Y231 HydrophobicContact CB-CD2 3.95Å; V215-Y231 HydrophobicContact CB-CG 4.14Å; V215-Y231 HydrophobicContact CG1-CD2 3.77Å; V215-Y231 HydrophobicContact CG1-CE2 4.04Å; V215-Y231 HydrophobicContact CG1-CG 4.4Å; V215-Y231 HydrophobicContact CG2-CD1 4.02Å; V215-Y231 HydrophobicContact CG2-CD2 3.83Å; V215-Y231 HydrophobicContact CG2-CE2 4.46Å; V215-Y231 HydrophobicContact CG2-CG 3.57Å; I217-Y231 HydrophobicContact CD1-CD2 4.33Å; T227-Y231 WeakPolarHBondContact O-CB 3.27Å; T227-Y231 PolarHBondContact O-N 3.22Å; D229-Y231 PolarHBondContact O-N 3.42Å; Y231-T233 VanDerWaalsContact C-N 3.29Å; Y231-T233 PolarHBondContact O-N 3.45Å; Y231-Y234 CarbonylContact O-C 3.49Å; Y231-Y234 PolarHBondContact O-N 2.96Å; Y231-Y234 VanDerWaalsContact O-N 3.08Å; Y231-M235 HydrophobicContact CD1-CG 4Å; Y231-M235 HydrophobicContact CD2-CE 3.99Å; Y231-M235 HydrophobicContact CD2-CG 3.99Å; Y231-M235 HydrophobicContact CD2-SD 4.27Å; Y231-M235 HydrophobicContact CE1-CG 3.62Å; Y231-M235 HydrophobicContact CE1-SD 4.44Å; Y231-M235 HydrophobicContact CE2-CE 3.72Å; Y231-M235 HydrophobicContact CE2-CG 3.64Å; Y231-M235 HydrophobicContact CE2-SD 3.55Å; Y231-M235 VanDerWaalsContact CE2-SD 3.55Å; Y231-M235 HydrophobicContact CG-CG 4.16Å; Y231-M235 VanDerWaalsContact CZ-CG 3.42Å; Y231-M235 WeakPolarHBondContact O-CB 3.09Å; Y231-M235 VanDerWaalsContact O-CG 3.27Å; Y231-M235 WeakPolarHBondContact O-CG 3.42Å; Y231-M235 PolarHBondContact O-N 3.14Å
232L64.1Low62.8Low33 Ų3343 Ų4317%0.17322%0.216CC..Hα-helixtrans-59.7-37.9178.3-74.1167.7000112.5F187 F188 F228 D229 G236 Y352F187-L232 HydrophobicContact CD1-CD2 4.45Å; F187-L232 HydrophobicContact CE1-CD1 4.49Å; F187-L232 HydrophobicContact CE1-CD2 3.75Å; F187-L232 HydrophobicContact CE1-CG 4.26Å; F187-L232 HydrophobicContact CZ-CD1 4.33Å; F187-L232 HydrophobicContact CZ-CD2 4.21Å; F187-L232 HydrophobicContact CZ-CG 4.22Å; F188-L232 HydrophobicContact CE1-CD2 4.45Å; F188-L232 HydrophobicContact CZ-CD2 3.81Å; F228-L232 WeakPolarHBondContact O-CB 3.3Å; F228-L232 VanDerWaalsContact O-CG 3.24Å; F228-L232 WeakPolarHBondContact O-CG 3.44Å; F228-L232 PolarHBondContact O-N 3.46Å; D229-L232 PolarHBondContact O-N 3.5Å; L232-G236 PolarHBondContact O-N 3.45Å; L232-Y352 HydrophobicContact CB-CD1 4.22Å; L232-Y352 HydrophobicContact CD2-CD1 3.68Å; L232-Y352 HydrophobicContact CD2-CE1 4.24Å; L232-Y352 WeakPolarHBondContact O-CD1 3.44Å
233T59.4Low63Low30 Ų3040.2 Ų40.218%0.18420%0.2CC..Hα-helixtrans-61.2-47.2172.5-79.50000111.6D229 Y231 G236 L237 R348D229-T233 WeakPolarHBondContact O-CB 3.11Å; D229-T233 PolarHBondContact O-N 2.87Å; D229-T233 PolarHBondContact O-OG1 3.49Å; Y231-T233 VanDerWaalsContact C-N 3.29Å; Y231-T233 PolarHBondContact O-N 3.45Å; T233-G236 PolarHBondContact O-N 3.2Å; T233-L237 HydrophobicContact CG2-CD1 4.48Å; T233-L237 WeakPolarHBondContact O-CG 3.21Å; T233-L237 PolarHBondContact O-N 3.48Å; T233-R348 PolarHBondContact OG1-NH1 3.11Å
234Y61Low63.2Low100 Ų10040.8 Ų40.839%0.39220%0.202SC..Hα-helixtrans-71.1-41.9-179.4-178.3-121.9000112.2L226 Q230 Y231 L237 I238L226-Y234 HydrophobicContact CD1-CD1 4.4Å; Q230-Y234 WeakPolarHBondContact O-CB 3.46Å; Q230-Y234 PolarHBondContact O-N 2.99Å; Y231-Y234 CarbonylContact O-C 3.49Å; Y231-Y234 PolarHBondContact O-N 2.96Å; Y231-Y234 VanDerWaalsContact O-N 3.08Å; Y234-L237 PolarHBondContact O-N 3.37Å; Y234-I238 HydrophobicContact CD1-CD1 3.94Å; Y234-I238 HydrophobicContact CD2-CD1 4.41Å; Y234-I238 HydrophobicContact CE1-CD1 3.58Å; Y234-I238 HydrophobicContact CE2-CD1 4.09Å; Y234-I238 HydrophobicContact CE2-CG1 4.4Å; Y234-I238 HydrophobicContact CG-CD1 4.34Å; Y234-I238 WeakPolarHBondContact O-CG1 3.44Å; Y234-I238 PolarHBondContact O-N 3.43Å
235M64.7Low64Low4 Ų437.4 Ų37.42%0.0219%0.186CC..Hα-helixtrans-59.9-46.4171.5-65.2-5998.200110.5F180 N184 Y231 L237 I238 D239 Y352F180-M235 HydrophobicContact CD2-SD 4.17Å; F180-M235 HydrophobicContact CE2-CB 4.23Å; F180-M235 HydrophobicContact CE2-CE 4.17Å; F180-M235 HydrophobicContact CE2-CG 4.43Å; F180-M235 HydrophobicContact CE2-SD 3.44Å; F180-M235 WeakPolarHBondContact CE2-SD 3.25Å; F180-M235 HydrophobicContact CZ-CB 4.23Å; F180-M235 VanDerWaalsContact CZ-O 3.29Å; F180-M235 WeakPolarHBondContact CZ-O 3.35Å; F180-M235 HydrophobicContact CZ-SD 4.26Å; N184-M235 PolarHBondContact ND2-SD 3.3Å; N184-M235 VanDerWaalsContact ND2-SD 3.4Å; N184-M235 WeakPolarHBondContact OD1-CB 3.35Å; Y231-M235 HydrophobicContact CD1-CG 4Å; Y231-M235 HydrophobicContact CD2-CE 3.99Å; Y231-M235 HydrophobicContact CD2-CG 3.99Å; Y231-M235 HydrophobicContact CD2-SD 4.27Å; Y231-M235 HydrophobicContact CE1-CG 3.62Å; Y231-M235 HydrophobicContact CE1-SD 4.44Å; Y231-M235 HydrophobicContact CE2-CE 3.72Å; Y231-M235 HydrophobicContact CE2-CG 3.64Å; Y231-M235 HydrophobicContact CE2-SD 3.55Å; Y231-M235 VanDerWaalsContact CE2-SD 3.55Å; Y231-M235 HydrophobicContact CG-CG 4.16Å; Y231-M235 VanDerWaalsContact CZ-CG 3.42Å; Y231-M235 WeakPolarHBondContact O-CB 3.09Å; Y231-M235 VanDerWaalsContact O-CG 3.27Å; Y231-M235 WeakPolarHBondContact O-CG 3.42Å; Y231-M235 PolarHBondContact O-N 3.14Å; M235-L237 VanDerWaalsContact C-N 3.28Å; M235-L237 PolarHBondContact O-N 3.01Å; M235-I238 HydrophobicContact CE-CD1 4.06Å; M235-I238 PolarHBondContact O-N 2.94Å; M235-I238 VanDerWaalsContact O-N 3.13Å; M235-D239 WeakPolarHBondContact O-CB 3.25Å; M235-D239 PolarHBondContact O-N 3.24Å; M235-Y352 HydrophobicContact CB-CD1 4.12Å; M235-Y352 HydrophobicContact CB-CE1 3.49Å; M235-Y352 VanDerWaalsContact CB-CE1 3.49Å
236G63.4Low64.7Low0 Ų037.3 Ų37.30%018%0.181CC..Hα-helixtrans-63.6-28.5177.500000114.5L232 T233 A240L232-G236 PolarHBondContact O-N 3.45Å; T233-G236 PolarHBondContact O-N 3.2Å; G236-A240 WeakPolarHBondContact O-CB 3.26Å; G236-A240 PolarHBondContact O-N 3Å; G236-A240 VanDerWaalsContact O-N 3.13Å
237L57.3Low65.8Low35 Ų3536 Ų3618%0.18318%0.175CC..Hα-helixtrans-74.6-41.1170.4-73.7170.8000112.2T233 Y234 M235 A240 V241 Y609T233-L237 HydrophobicContact CG2-CD1 4.48Å; T233-L237 WeakPolarHBondContact O-CG 3.21Å; T233-L237 PolarHBondContact O-N 3.48Å; Y234-L237 PolarHBondContact O-N 3.37Å; M235-L237 VanDerWaalsContact C-N 3.28Å; M235-L237 PolarHBondContact O-N 3.01Å; L237-A240 PolarHBondContact O-N 3.14Å; L237-V241 WeakPolarHBondContact O-CB 3.39Å; L237-V241 VanDerWaalsContact O-CG2 3.26Å; L237-V241 WeakPolarHBondContact O-CG2 3.29Å; L237-V241 PolarHBondContact O-N 2.71Å; L237-Y609 HydrophobicContact CD2-CE1 4.07Å
238I59.8Low66.9Low28 Ų2838.9 Ų38.914%0.14419%0.192CC..Hα-helixtrans-65.3-40.8175-63.9164.6000110.5F180 Y234 M235 V241 F242F180-I238 HydrophobicContact CB-CG2 4.28Å; F180-I238 HydrophobicContact CD1-CG2 3.89Å; F180-I238 HydrophobicContact CD2-CB 3.96Å; F180-I238 HydrophobicContact CD2-CD1 4.14Å; F180-I238 HydrophobicContact CD2-CG2 3.33Å; F180-I238 HydrophobicContact CE1-CB 4.42Å; F180-I238 HydrophobicContact CE1-CG2 3.99Å; F180-I238 HydrophobicContact CE2-CB 3.5Å; F180-I238 HydrophobicContact CE2-CD1 3.95Å; F180-I238 HydrophobicContact CE2-CG1 4.35Å; F180-I238 HydrophobicContact CE2-CG2 3.41Å; F180-I238 VanDerWaalsContact CE2-CG2 3.41Å; F180-I238 HydrophobicContact CG-CG2 3.57Å; F180-I238 HydrophobicContact CZ-CB 3.79Å; F180-I238 HydrophobicContact CZ-CG2 3.77Å; Y234-I238 HydrophobicContact CD1-CD1 3.94Å; Y234-I238 HydrophobicContact CD2-CD1 4.41Å; Y234-I238 HydrophobicContact CE1-CD1 3.58Å; Y234-I238 HydrophobicContact CE2-CD1 4.09Å; Y234-I238 HydrophobicContact CE2-CG1 4.4Å; Y234-I238 HydrophobicContact CG-CD1 4.34Å; Y234-I238 WeakPolarHBondContact O-CG1 3.44Å; Y234-I238 PolarHBondContact O-N 3.43Å; M235-I238 HydrophobicContact CE-CD1 4.06Å; M235-I238 PolarHBondContact O-N 2.94Å; M235-I238 VanDerWaalsContact O-N 3.13Å; I238-V241 PolarHBondContact O-N 2.91Å; I238-F242 HydrophobicContact CB-CD2 4.42Å; I238-F242 HydrophobicContact CG2-CB 4.36Å; I238-F242 HydrophobicContact CG2-CD2 3.77Å; I238-F242 HydrophobicContact CG2-CG 4.43Å; I238-F242 WeakPolarHBondContact O-CB 3.3Å; I238-F242 PolarHBondContact O-N 3.35Å
239D61.6Low68.1Low4 Ų439.8 Ų39.82%0.02121%0.207CC..Hα-helixtrans-61.8-43175.1-179.579.6000112.1F180 M235 S243 R282 N314 Y352F180-D239 HydrophobicContact CE1-CB 4.07Å; F180-D239 HydrophobicContact CZ-CB 4.23Å; M235-D239 WeakPolarHBondContact O-CB 3.25Å; M235-D239 PolarHBondContact O-N 3.24Å; D239-S243 WeakPolarHBondContact CA-OG 3.39Å; D239-S243 WeakPolarHBondContact O-CB 3.42Å; D239-S243 PolarHBondContact O-N 3.26Å; D239-S243 VanDerWaalsContact O-N 3.1Å; D239-S243 PolarHBondContact O-OG 3.08Å; D239-S243 WeakPolarHBondContact OD1-CB 3.18Å; D239-S243 PolarHBondContact OD1-OG 2.93Å; D239-R282 PolarHBondContact O-NH2 3.3Å; D239-R282 IonicContact OD2-CZ 2.7Å; D239-R282 IonicContact OD2-NH1 2.68Å; D239-R282 PolarHBondContact OD2-NH1 3.08Å; D239-R282 IonicContact OD2-NH2 3.38Å; D239-R282 PolarHBondContact OD2-NH2 2.87Å; D239-N314 VanDerWaalsContact CG-ND2 3.26Å; D239-N314 WeakPolarHBondContact OD1-CB 3.49Å; D239-N314 PolarHBondContact OD1-ND2 3.48Å; D239-N314 PolarHBondContact OD2-ND2 3.44Å; D239-Y352 HydrophobicContact CB-CE2 3.93Å
240A61.5Low70.2Confident11 Ų1138.8 Ų38.89%0.09120%0.201CC..Hα-helixtrans-63.2-44.8176.500000111.7G236 L237 R339 I343G236-A240 WeakPolarHBondContact O-CB 3.26Å; G236-A240 PolarHBondContact O-N 3Å; G236-A240 VanDerWaalsContact O-N 3.13Å; L237-A240 PolarHBondContact O-N 3.14Å; A240-R339 WeakPolarHBondContact O-CG 3.4Å; A240-R339 PolarHBondContact O-NE 3.16Å; A240-I343 HydrophobicContact CB-CD1 4.14Å; A240-I343 HydrophobicContact CB-CG1 3.7Å
241V55.5Low71.9Confident51 Ų5136.1 Ų36.131%0.30919%0.19SC..Hα-helixtrans-77.1-39.9-175.3175.40000113.4L237 I238 R339 I343L237-V241 WeakPolarHBondContact O-CB 3.39Å; L237-V241 VanDerWaalsContact O-CG2 3.26Å; L237-V241 WeakPolarHBondContact O-CG2 3.29Å; L237-V241 PolarHBondContact O-N 2.71Å; I238-V241 PolarHBondContact O-N 2.91Å; V241-R339 WeakPolarHBondContact O-CD 3.26Å; V241-R339 PolarHBondContact O-NE 3.16Å; V241-R339 VanDerWaalsContact O-NE 3.14Å; V241-I343 HydrophobicContact CB-CD1 4.48Å; V241-I343 HydrophobicContact CG2-CD1 3.72Å
242F60Low72.9Confident140 Ų14036.1 Ų36.161%0.61419%0.19SC*.Hα-helixtrans-117.8-20.4-166.1-63.2-86000115.2I238I238-F242 HydrophobicContact CB-CD2 4.42Å; I238-F242 HydrophobicContact CG2-CB 4.36Å; I238-F242 HydrophobicContact CG2-CD2 3.77Å; I238-F242 HydrophobicContact CG2-CG 4.43Å; I238-F242 WeakPolarHBondContact O-CB 3.3Å; I238-F242 PolarHBondContact O-N 3.35Å
243S68.1Low74Confident23 Ų2335.1 Ų35.116%0.16118%0.184CC..SBendtrans-74.1139.7175.7-62.50000110.8D239 N314 R339D239-S243 WeakPolarHBondContact CA-OG 3.39Å; D239-S243 WeakPolarHBondContact O-CB 3.42Å; D239-S243 PolarHBondContact O-N 3.26Å; D239-S243 VanDerWaalsContact O-N 3.1Å; D239-S243 PolarHBondContact O-OG 3.08Å; D239-S243 WeakPolarHBondContact OD1-CB 3.18Å; D239-S243 PolarHBondContact OD1-OG 2.93Å; S243-N314 WeakPolarHBondContact CB-ND2 3.24Å; S243-R339 PolarHBondContact O-NH2 3.29Å
244E75.2Confident75.1Confident107 Ų10734 Ų3450%0.518%0.177SC..  trans-63146.3-177.5-15654.3-96.500112Y246 Y294E244-Y246 HydrophobicContact CB-CD1 4.22Å; E244-Y246 HydrophobicContact CB-CE1 3.67Å; E244-Y246 HydrophobicContact CG-CD1 3.9Å; E244-Y246 HydrophobicContact CG-CE1 3.64Å; E244-Y294 PolarHBondContact O-OH 2.79Å
245I79.7Confident75.7Confident5 Ų530.8 Ų30.83%0.02617%0.166CC..  trans-111.582.7176.1-55.5-177000108.1R281 R282 Y294 A334 L338 R339I245-R281 PolarHBondContact O-NH1 2.57Å; I245-R281 VanDerWaalsContact O-NH1 3.11Å; I245-R282 HydrophobicContact CD1-CG 4.37Å; I245-Y294 WeakPolarHBondContact CA-OH 3.44Å; I245-A334 HydrophobicContact CB-CB 4.35Å; I245-L338 HydrophobicContact CD1-CB 4Å; I245-L338 HydrophobicContact CG2-CB 4.29Å; I245-L338 HydrophobicContact CG2-CD1 3.88Å; I245-R339 HydrophobicContact CD1-CB 3.84Å
246Y88.1Confident75.9Confident61 Ų6135.2 Ų35.224%0.23919%0.186CC..PPolyproline II helixtrans-56.4143.6-172.6-58.1-59.8000112.3E244 R281 Y294 I317 V320E244-Y246 HydrophobicContact CB-CD1 4.22Å; E244-Y246 HydrophobicContact CB-CE1 3.67Å; E244-Y246 HydrophobicContact CG-CD1 3.9Å; E244-Y246 HydrophobicContact CG-CE1 3.64Å; Y246-R281 WeakPolarHBondContact O-CD 3.24Å; Y246-R281 PolarHBondContact O-NH1 3.12Å; Y246-Y294 HydrophobicContact CD2-CE2 4.29Å; Y246-Y294 AromaticContact CD2-CZ 3.89Å; Y246-Y294 WeakPolarHBondContact CD2-OH 3.43Å; Y246-Y294 PolarHBondContact N-OH 2.91Å; Y246-Y294 VanDerWaalsContact N-OH 3.1Å; Y246-I317 HydrophobicContact CD2-CD1 3.74Å; Y246-I317 HydrophobicContact CE2-CD1 3.63Å; Y246-I317 HydrophobicContact CE2-CG2 4.15Å; Y246-V320 HydrophobicContact CD1-CG2 3.6Å; Y246-V320 HydrophobicContact CD2-CG2 4.3Å; Y246-V320 HydrophobicContact CE1-CG2 3.38Å; Y246-V320 HydrophobicContact CE2-CG2 4.11Å; Y246-V320 HydrophobicContact CG-CG2 4.07Å
247P90.5Very high76Confident6 Ų641.8 Ų41.84%0.03922%0.217CC..PPolyproline II helixtrans-63.6153.4179.525.5-35.8000112.7S250 S323 G324 T326P247-S250 WeakPolarHBondContact CD-OG 3.32Å; P247-S250 WeakPolarHBondContact CG-OG 3.38Å; P247-S250 VanDerWaalsContact O-CB 3.26Å; P247-S250 WeakPolarHBondContact O-CB 3.48Å; P247-S250 PolarHBondContact O-N 3.26Å; P247-S250 PolarHBondContact O-OG 3.35Å; P247-S323 VanDerWaalsContact CG-OG 3.22Å; P247-S323 WeakPolarHBondContact CG-OG 3.24Å; P247-G324 WeakPolarHBondContact CG-O 3.38Å; P247-T326 VanDerWaalsContact CG-OG1 3.25Å; P247-T326 WeakPolarHBondContact CG-OG1 3.39Å
248T89.9Confident76.1Confident70 Ų7042.4 Ų42.443%0.42922%0.22SC..THydrogen-bonded Turntrans-60.4141.8169.845.20000111.1S250 H279 R281T248-S250 VanDerWaalsContact C-N 3.3Å; T248-H279 WeakPolarHBondContact CG2-O 3.33Å; T248-R281 HydrophobicContact CG2-CG 3.9Å
249G92.2Very high75.9Confident36 Ų3642.1 Ų42.137%0.37122%0.219SC..THydrogen-bonded Turntrans85-4.5-170.900000114.4V251 I278G249-V251 PolarHBondContact O-N 2.96Å; G249-I278 PolarHBondContact N-O 3.07Å
250S95.1Very high75.6Confident0 Ų044.8 Ų44.80%024%0.238CC..  trans-60.7137.4172-61.30000111.2P247 T248 M277 I278 S322 G324P247-S250 WeakPolarHBondContact CD-OG 3.32Å; P247-S250 WeakPolarHBondContact CG-OG 3.38Å; P247-S250 VanDerWaalsContact O-CB 3.26Å; P247-S250 WeakPolarHBondContact O-CB 3.48Å; P247-S250 PolarHBondContact O-N 3.26Å; P247-S250 PolarHBondContact O-OG 3.35Å; T248-S250 VanDerWaalsContact C-N 3.3Å; S250-M277 WeakPolarHBondContact O-CA 3.45Å; S250-I278 PolarHBondContact O-N 3.08Å; S250-S322 CarbonylContact C-O 3.44Å; S250-S322 VanDerWaalsContact CA-O 3.32Å; S250-S322 WeakPolarHBondContact CA-O 3.47Å; S250-G324 PolarHBondContact OG-N 3.37Å
251V94.5Very high75.2Confident14 Ų1449.1 Ų49.19%0.08526%0.26CS..EExtended strand (participates in β ladder)trans-101.8122.7171.9-1730000108G249 V276 M277 W299 I321 S322G249-V251 PolarHBondContact O-N 2.96Å; V251-V276 WeakPolarHBondContact CA-O 3.4Å; V251-M277 HydrophobicContact CG2-CE 4.43Å; V251-W299 HydrophobicContact CG1-CB 4.22Å; V251-W299 HydrophobicContact CG1-CD2 4.42Å; V251-W299 HydrophobicContact CG1-CG 3.88Å; V251-W299 HydrophobicContact CG2-CG 4.39Å; V251-I321 HydrophobicContact CG1-CB 4.37Å; V251-I321 HydrophobicContact CG1-CD1 4.36Å; V251-I321 PolarHBondContact O-N 3.21Å; V251-S322 PolarHBondContact N-O 2.71Å; V251-S322 PolarHBondContact O-N 3.43Å; V251-S322 VanDerWaalsContact O-N 3.11Å
252I89.3Confident75Confident0 Ų054.2 Ų54.20%028%0.28CS..EExtended strand (participates in β ladder)trans-122.3145-17647160.1000110.4L254 S275 V276 I278 V312 I317 R319 V320I252-L254 HydrophobicContact CD1-CD2 3.83Å; I252-S275 WeakPolarHBondContact O-CA 3.36Å; I252-V276 HydrophobicContact CD1-CG2 3.7Å; I252-V276 HydrophobicContact CG1-CG2 3.59Å; I252-V276 WeakPolarHBondContact CG1-O 3.28Å; I252-V276 PolarHBondContact N-O 3.36Å; I252-V276 PolarHBondContact O-N 2.82Å; I252-I278 HydrophobicContact CD1-CD1 3.92Å; I252-I278 HydrophobicContact CD1-CG1 3.98Å; I252-I278 HydrophobicContact CG1-CD1 4.19Å; I252-I278 HydrophobicContact CG1-CG1 4.17Å; I252-I278 HydrophobicContact CG2-CD1 4.14Å; I252-V312 HydrophobicContact CD1-CG1 3.96Å; I252-I317 HydrophobicContact CB-CG2 4.25Å; I252-I317 HydrophobicContact CD1-CD1 3.91Å; I252-I317 HydrophobicContact CD1-CG1 3.81Å; I252-I317 HydrophobicContact CG2-CD1 4.42Å; I252-I317 HydrophobicContact CG2-CG2 4.01Å; I252-R319 WeakPolarHBondContact CA-O 3.22Å; I252-V320 HydrophobicContact CG2-CG2 4.09Å
253E87.3Confident74.9Confident13 Ų1350.5 Ų50.56%0.06127%0.266CS..EExtended strand (participates in β ladder)trans-89.8132.9167.5-162178.814200108.7K318 R319 I321E253-K318 HydrophobicContact CB-CB 4.43Å; E253-K318 HydrophobicContact CG-CD 4.12Å; E253-K318 WeakPolarHBondContact O-CB 3.24Å; E253-K318 PolarHBondContact O-N 3.05Å; E253-K318 VanDerWaalsContact OE1-CD 3.29Å; E253-K318 WeakPolarHBondContact OE1-CD 3.43Å; E253-K318 VanDerWaalsContact OE1-CE 3.28Å; E253-K318 WeakPolarHBondContact OE1-CE 3.25Å; E253-K318 IonicContact OE1-NZ 3.45Å; E253-K318 PolarHBondContact OE1-NZ 3.43Å; E253-R319 HydrophobicContact CB-CG 3.95Å; E253-R319 PolarHBondContact N-O 2.86Å; E253-R319 IonicContact OE2-CZ 2.82Å; E253-R319 IonicContact OE2-NE 3.01Å; E253-R319 PolarHBondContact OE2-NE 3.41Å; E253-R319 IonicContact OE2-NH2 2.67Å; E253-R319 PolarHBondContact OE2-NH2 2.91Å; E253-I321 HydrophobicContact CB-CD1 3.99Å; E253-I321 HydrophobicContact CB-CG1 4.12Å
254L82.8Confident74.5Confident6 Ų651.8 Ų51.83%0.03127%0.269CS..EExtended strand (participates in β ladder)trans-88.4149.8175.2-58.3-170.7000112.2I252 E256 L274 V276 V312 M316I252-L254 HydrophobicContact CD1-CD2 3.83Å; L254-E256 PolarHBondContact O-N 2.9Å; L254-L274 HydrophobicContact CB-CB 4.35Å; L254-L274 HydrophobicContact CB-CD2 4.22Å; L254-L274 HydrophobicContact CB-CG 4.11Å; L254-L274 HydrophobicContact CD1-CD2 3.82Å; L254-L274 HydrophobicContact CD1-CG 3.99Å; L254-L274 HydrophobicContact CG-CD2 4.41Å; L254-L274 HydrophobicContact CG-CG 4.19Å; L254-L274 PolarHBondContact N-O 3.05Å; L254-V276 HydrophobicContact CD1-CG1 4.12Å; L254-V276 HydrophobicContact CD1-CG2 4.07Å; L254-V276 HydrophobicContact CD2-CG2 3.95Å; L254-V276 HydrophobicContact CG-CG1 4.47Å; L254-V276 HydrophobicContact CG-CG2 3.97Å; L254-V312 HydrophobicContact CD1-CG2 4.19Å; L254-V312 HydrophobicContact CD2-CG1 3.7Å; L254-V312 HydrophobicContact CD2-CG2 4.21Å; L254-M316 CarbonylContact C-O 3.57Å; L254-M316 VanDerWaalsContact CA-O 3.26Å; L254-M316 WeakPolarHBondContact CA-O 3.38Å; L254-M316 HydrophobicContact CD2-CB 4.41Å
255E74.4Confident73.7Confident33 Ų3353.7 Ų53.715%0.15428%0.278CS..  trans-76.7104.6177-158.974.8-88.700109.7R181 E257 L258 M316 K318R181-E255 IonicContact CZ-OE2 2.71Å; R181-E255 IonicContact NH1-OE2 2.71Å; R181-E255 PolarHBondContact NH1-OE2 3.36Å; R181-E255 IonicContact NH2-OE2 2.65Å; R181-E255 PolarHBondContact NH2-OE2 3.17Å; E255-E257 VanDerWaalsContact C-N 3.26Å; E255-E257 PolarHBondContact O-N 3.38Å; E255-L258 HydrophobicContact CB-CD1 4.15Å; E255-L258 HydrophobicContact CB-CG 4.34Å; E255-L258 HydrophobicContact CG-CD1 4.47Å; E255-L258 HydrophobicContact CG-CG 4.46Å; E255-L258 PolarHBondContact O-N 2.64Å; E255-L258 VanDerWaalsContact O-N 3.08Å; E255-M316 PolarHBondContact N-O 3.23Å; E255-K318 HydrophobicContact CB-CB 4.29Å; E255-K318 WeakPolarHBondContact OE1-CD 3.44Å; E255-K318 WeakPolarHBondContact OE1-CE 3.19Å; E255-K318 VanDerWaalsContact OE1-CG 3.24Å; E255-K318 WeakPolarHBondContact OE1-CG 3.47Å
256E67.5Low72.6Confident97 Ų9759.2 Ų59.245%0.45331%0.305SS..G310 helixtrans-59.5-33.9-168.3-171179169.100113.6L254 L258 L259 K264L254-E256 PolarHBondContact O-N 2.9Å; E256-L258 PolarHBondContact O-N 2.81Å; E256-L259 HydrophobicContact CB-CD1 4.48Å; E256-L259 HydrophobicContact CG-CD1 4.3Å; E256-L259 WeakPolarHBondContact O-CB 3.23Å; E256-L259 WeakPolarHBondContact O-CG 3.38Å; E256-L259 PolarHBondContact O-N 2.72Å; E256-L259 VanDerWaalsContact O-N 3.15Å; E256-K264 HydrophobicContact CG-CD 4.45Å; E256-K264 HydrophobicContact CG-CG 4.08Å; E256-K264 WeakPolarHBondContact O-CE 3.4Å
257E65.6Low71.2Confident137 Ų13758.1 Ų58.164%0.6430%0.302SS*.G310 helixtrans-60.4-29178.8-63-176.8-173.500113.1Q189 E255 L259Q189-E257 PolarHBondContact NE2-OE2 3Å; E255-E257 VanDerWaalsContact C-N 3.26Å; E255-E257 PolarHBondContact O-N 3.38Å; E257-L259 VanDerWaalsContact C-N 3.29Å; E257-L259 PolarHBondContact O-N 3.36Å
258L60Low69.6Low49 Ų4961.5 Ų61.526%0.25733%0.325SS..G310 helixtrans-85.12.8-178.6-58.9-179.3000113.5L185 E255 E256 L315 M316L185-L258 HydrophobicContact CD2-CD1 4.02Å; E255-L258 HydrophobicContact CB-CD1 4.15Å; E255-L258 HydrophobicContact CB-CG 4.34Å; E255-L258 HydrophobicContact CG-CD1 4.47Å; E255-L258 HydrophobicContact CG-CG 4.46Å; E255-L258 PolarHBondContact O-N 2.64Å; E255-L258 VanDerWaalsContact O-N 3.08Å; E256-L258 PolarHBondContact O-N 2.81Å; L258-L315 HydrophobicContact CD1-CD2 4.17Å; L258-L315 HydrophobicContact CD1-CG 4.05Å; L258-M316 HydrophobicContact CD1-CG 4.43Å
259L56Low67.9Low21 Ų2166 Ų6611%0.1135%0.347CS..SBendtrans-95.3155.7-177.3-53.2174.9000112.6E256 E257 L263 K264 L274E256-L259 HydrophobicContact CB-CD1 4.48Å; E256-L259 HydrophobicContact CG-CD1 4.3Å; E256-L259 WeakPolarHBondContact O-CB 3.23Å; E256-L259 WeakPolarHBondContact O-CG 3.38Å; E256-L259 PolarHBondContact O-N 2.72Å; E256-L259 VanDerWaalsContact O-N 3.15Å; E257-L259 VanDerWaalsContact C-N 3.29Å; E257-L259 PolarHBondContact O-N 3.36Å; L259-L263 HydrophobicContact CB-CB 4.36Å; L259-L263 HydrophobicContact CD2-CD1 4.44Å; L259-K264 HydrophobicContact CB-CG 4.09Å; L259-K264 WeakPolarHBondContact O-CE 3.25Å; L259-K264 PolarHBondContact O-NZ 3.29Å; L259-L274 HydrophobicContact CD1-CB 4.44Å; L259-L274 HydrophobicContact CD1-CD2 3.46Å; L259-L274 VanDerWaalsContact CD1-CD2 3.46Å; L259-L274 HydrophobicContact CD2-CD2 4Å; L259-L274 HydrophobicContact CG-CD2 4.4Å
260S54.8Low66.3Low61 Ų6166.6 Ų66.643%0.42735%0.345SS..  trans-67.8148.4163.953.60000111.5E262 L263 K264S260-E262 PolarHBondContact O-N 2.86Å; S260-L263 WeakPolarHBondContact O-CB 3.5Å; S260-L263 PolarHBondContact O-N 3.25Å; S260-L263 WeakPolarHBondContact OG-CG 3.42Å; S260-K264 PolarHBondContact O-N 2.65Å
261D53.4Low64.6Low102 Ų10275.2 Ų75.255%0.54539%0.391SS..Hα-helixtrans-65.2-23.2-177.4-55.5-31.6000113.7K264 Q265D261-K264 PolarHBondContact O-N 3.45Å; D261-K264 IonicContact OD1-NZ 3.38Å; D261-K264 PolarHBondContact OD1-NZ 3.14Å; D261-Q265 WeakPolarHBondContact O-CB 3.13Å; D261-Q265 VanDerWaalsContact O-CG 3.3Å; D261-Q265 WeakPolarHBondContact O-CG 3.33Å; D261-Q265 PolarHBondContact O-N 3.47Å; D261-Q265 PolarHBondContact O-NE2 2.86Å
262E50.6Low62.9Low157 Ų15779.5 Ų79.573%0.73441%0.413SS*.Hα-helixtrans-62.3-44.6169.8-176.3168.1-148.200111.7S260S260-E262 PolarHBondContact O-N 2.86Å
263L57.4Low61.8Low63 Ų6380.7 Ų80.733%0.3343%0.425SS..Hα-helixtrans-68.1-44.2172.7-71.3173.8000111.2L259 S260 Q265 M266 F267L259-L263 HydrophobicContact CB-CB 4.36Å; L259-L263 HydrophobicContact CD2-CD1 4.44Å; S260-L263 WeakPolarHBondContact O-CB 3.5Å; S260-L263 PolarHBondContact O-N 3.25Å; S260-L263 WeakPolarHBondContact OG-CG 3.42Å; L263-Q265 VanDerWaalsContact C-N 3.28Å; L263-Q265 PolarHBondContact O-N 3.16Å; L263-M266 HydrophobicContact CD2-SD 4.24Å; L263-M266 WeakPolarHBondContact O-CB 3.5Å; L263-M266 PolarHBondContact O-N 3.02Å; L263-F267 VanDerWaalsContact O-CD2 3.3Å; L263-F267 WeakPolarHBondContact O-CD2 3.42Å
264K59.4Low61.2Low49 Ų4980.7 Ų80.721%0.21343%0.426CS..Hα-helixtrans-55.9-43.9178.7-63.5176.5-168.8141.50111.8E256 L259 S260 D261 M266 F267 S268E256-K264 HydrophobicContact CG-CD 4.45Å; E256-K264 HydrophobicContact CG-CG 4.08Å; E256-K264 WeakPolarHBondContact O-CE 3.4Å; L259-K264 HydrophobicContact CB-CG 4.09Å; L259-K264 WeakPolarHBondContact O-CE 3.25Å; L259-K264 PolarHBondContact O-NZ 3.29Å; S260-K264 PolarHBondContact O-N 2.65Å; D261-K264 PolarHBondContact O-N 3.45Å; D261-K264 IonicContact OD1-NZ 3.38Å; D261-K264 PolarHBondContact OD1-NZ 3.14Å; K264-M266 PolarHBondContact O-N 2.81Å; K264-F267 PolarHBondContact O-N 3.43Å; K264-S268 PolarHBondContact O-N 3.03Å; K264-S268 PolarHBondContact O-OG 3.47Å
265Q60.2Low61.4Low147 Ų14780.6 Ų80.669%0.68743%0.426SS*.Hα-helixtrans-61.8-27.6178.3-78.1173.760.100113.8D261 L263 F267D261-Q265 WeakPolarHBondContact O-CB 3.13Å; D261-Q265 VanDerWaalsContact O-CG 3.3Å; D261-Q265 WeakPolarHBondContact O-CG 3.33Å; D261-Q265 PolarHBondContact O-N 3.47Å; D261-Q265 PolarHBondContact O-NE2 2.86Å; L263-Q265 VanDerWaalsContact C-N 3.28Å; L263-Q265 PolarHBondContact O-N 3.16Å; Q265-F267 VanDerWaalsContact C-N 3.28Å; Q265-F267 PolarHBondContact O-N 3Å
266M55.1Low62.1Low121 Ų12179 Ų7960%0.59642%0.418SS*.Hα-helixtrans-70-23174.8-65.7176.469.600113.2L263 K264L263-M266 HydrophobicContact CD2-SD 4.24Å; L263-M266 WeakPolarHBondContact O-CB 3.5Å; L263-M266 PolarHBondContact O-N 3.02Å; K264-M266 PolarHBondContact O-N 2.81Å
267F60.2Low63.3Low39 Ų3977 Ų7717%0.17141%0.41CS..Hα-helixtrans-118.6-4.9-171.7-63.9-79000115.2L263 K264 Q265 N269 S270 L274 L298L263-F267 VanDerWaalsContact O-CD2 3.3Å; L263-F267 WeakPolarHBondContact O-CD2 3.42Å; K264-F267 PolarHBondContact O-N 3.43Å; Q265-F267 VanDerWaalsContact C-N 3.28Å; Q265-F267 PolarHBondContact O-N 3Å; F267-N269 PolarHBondContact O-N 3.14Å; F267-S270 PolarHBondContact O-N 3.38Å; F267-S270 VanDerWaalsContact O-N 3.13Å; F267-S270 PolarHBondContact O-OG 2.89Å; F267-L274 HydrophobicContact CD1-CD1 4.06Å; F267-L274 HydrophobicContact CD2-CB 4.44Å; F267-L274 HydrophobicContact CD2-CD1 3.8Å; F267-L274 HydrophobicContact CD2-CD2 4.39Å; F267-L274 HydrophobicContact CD2-CG 4.43Å; F267-L274 HydrophobicContact CE1-CD1 3.85Å; F267-L274 HydrophobicContact CE2-CD1 3.61Å; F267-L274 HydrophobicContact CG-CB 4.31Å; F267-L274 HydrophobicContact CG-CD1 4.07Å; F267-L274 HydrophobicContact CZ-CD1 3.66Å; F267-L298 HydrophobicContact CE1-CD2 4.1Å; F267-L298 HydrophobicContact CE2-CD2 4.16Å; F267-L298 HydrophobicContact CZ-CD1 3.84Å; F267-L298 HydrophobicContact CZ-CD2 3.4Å; F267-L298 VanDerWaalsContact CZ-CD2 3.4Å; F267-L298 HydrophobicContact CZ-CG 4.24Å
268S56Low64.5Low76 Ų7670.5 Ų70.553%0.53138%0.379SS..THydrogen-bonded Turntrans-57.1-12.5-177.5-45.60000115.4K264K264-S268 PolarHBondContact O-N 3.03Å; K264-S268 PolarHBondContact O-OG 3.47Å
269N53.8Low65.6Low165 Ų16571.4 Ų71.488%0.88238%0.382SS*.THydrogen-bonded Turntrans-114.325.1-177-60.5-44.2000113.1F267F267-N269 PolarHBondContact O-N 3.14Å
270S58.3Low66.9Low49 Ų4971 Ų7134%0.34338%0.383SS..  trans-128.6128.7-174.468.30000114.5F267 L272 G273F267-S270 PolarHBondContact O-N 3.38Å; F267-S270 VanDerWaalsContact O-N 3.13Å; F267-S270 PolarHBondContact O-OG 2.89Å; S270-L272 PolarHBondContact O-N 3.27Å; S270-L272 VanDerWaalsContact O-N 3.1Å; S270-G273 PolarHBondContact O-N 3.48Å
271D61Low68.2Low181 Ų18169.3 Ų69.397%0.96837%0.367SS*.THydrogen-bonded Turntrans-66.3-10.5179.2-61.1-39.9000114.1
272L58.5Low69Low103 Ų10364.9 Ų64.954%0.53934%0.343SS..THydrogen-bonded Turntrans-98.7-6.8-174.8-71.4159.6000113.7S270 S275 W299S270-L272 PolarHBondContact O-N 3.27Å; S270-L272 VanDerWaalsContact O-N 3.1Å; L272-S275 PolarHBondContact O-OG 2.94Å; L272-W299 HydrophobicContact CD1-CE3 4.44Å; L272-W299 HydrophobicContact CD1-CZ3 3.85Å; L272-W299 HydrophobicContact CD2-CZ3 4.5Å
273G65Low69.7Low25 Ų2560.4 Ų60.426%0.25832%0.324SS..  trans59-168.2-169.400000113.1S270 S275S270-G273 PolarHBondContact O-N 3.48Å; G273-S275 VanDerWaalsContact C-N 3.32Å; G273-S275 PolarHBondContact O-N 2.91Å
274L75.8Confident69.7Low13 Ų1361.8 Ų61.87%0.06834%0.336CS..SBendtrans-75.486.6173.4-179.347.5000110.8L254 L259 F267 V276 L298L254-L274 HydrophobicContact CB-CB 4.35Å; L254-L274 HydrophobicContact CB-CD2 4.22Å; L254-L274 HydrophobicContact CB-CG 4.11Å; L254-L274 HydrophobicContact CD1-CD2 3.82Å; L254-L274 HydrophobicContact CD1-CG 3.99Å; L254-L274 HydrophobicContact CG-CD2 4.41Å; L254-L274 HydrophobicContact CG-CG 4.19Å; L254-L274 PolarHBondContact N-O 3.05Å; L259-L274 HydrophobicContact CD1-CB 4.44Å; L259-L274 HydrophobicContact CD1-CD2 3.46Å; L259-L274 VanDerWaalsContact CD1-CD2 3.46Å; L259-L274 HydrophobicContact CD2-CD2 4Å; L259-L274 HydrophobicContact CG-CD2 4.4Å; F267-L274 HydrophobicContact CD1-CD1 4.06Å; F267-L274 HydrophobicContact CD2-CB 4.44Å; F267-L274 HydrophobicContact CD2-CD1 3.8Å; F267-L274 HydrophobicContact CD2-CD2 4.39Å; F267-L274 HydrophobicContact CD2-CG 4.43Å; F267-L274 HydrophobicContact CE1-CD1 3.85Å; F267-L274 HydrophobicContact CE2-CD1 3.61Å; F267-L274 HydrophobicContact CG-CB 4.31Å; F267-L274 HydrophobicContact CG-CD1 4.07Å; F267-L274 HydrophobicContact CZ-CD1 3.66Å; L274-V276 HydrophobicContact CD1-CG1 3.82Å; L274-V276 HydrophobicContact CG-CG1 4.26Å; L274-L298 HydrophobicContact CD1-CD2 3.74Å
275S87.3Confident69.3Low5 Ų563.5 Ų63.54%0.03534%0.344CS..EExtended strand (participates in β ladder)trans-89.4125.5173.7-710000111.5I252 L272 G273 W299 I321I252-S275 WeakPolarHBondContact O-CA 3.36Å; L272-S275 PolarHBondContact O-OG 2.94Å; G273-S275 VanDerWaalsContact C-N 3.32Å; G273-S275 PolarHBondContact O-N 2.91Å; S275-W299 WeakPolarHBondContact O-CB 3.32Å; S275-W299 PolarHBondContact O-N 2.67Å; S275-I321 WeakPolarHBondContact OG-CD1 3.4Å
276V88Confident68.6Low0 Ų064.8 Ų64.80%035%0.35CS..EExtended strand (participates in β ladder)trans-129.4148.8177.4-56.40000112V251 I252 L254 L274 A296 S297 L298 I310 V312V251-V276 WeakPolarHBondContact CA-O 3.4Å; I252-V276 HydrophobicContact CD1-CG2 3.7Å; I252-V276 HydrophobicContact CG1-CG2 3.59Å; I252-V276 WeakPolarHBondContact CG1-O 3.28Å; I252-V276 PolarHBondContact N-O 3.36Å; I252-V276 PolarHBondContact O-N 2.82Å; L254-V276 HydrophobicContact CD1-CG1 4.12Å; L254-V276 HydrophobicContact CD1-CG2 4.07Å; L254-V276 HydrophobicContact CD2-CG2 3.95Å; L254-V276 HydrophobicContact CG-CG1 4.47Å; L254-V276 HydrophobicContact CG-CG2 3.97Å; L274-V276 HydrophobicContact CD1-CG1 3.82Å; L274-V276 HydrophobicContact CG-CG1 4.26Å; V276-A296 HydrophobicContact CB-CB 4.03Å; V276-A296 HydrophobicContact CG2-CB 3.83Å; V276-S297 CarbonylContact C-O 3.53Å; V276-S297 WeakPolarHBondContact CA-O 3.45Å; V276-S297 VanDerWaalsContact CB-O 3.25Å; V276-S297 WeakPolarHBondContact CB-O 3.49Å; V276-L298 HydrophobicContact CG1-CD2 4.2Å; V276-I310 HydrophobicContact CG1-CD1 3.96Å; V276-V312 HydrophobicContact CG2-CG2 4.3Å
277M92.2Very high68.2Low54 Ų5465.6 Ų65.627%0.26636%0.357SS..EExtended strand (participates in β ladder)trans-101.2130.2176.7-177.4-177.2-69.700110.6S250 V251 H279 A296 S297S250-M277 WeakPolarHBondContact O-CA 3.45Å; V251-M277 HydrophobicContact CG2-CE 4.43Å; M277-H279 PolarHBondContact O-CD2 2.79Å; M277-H279 PolarHBondContact O-NE2 3.12Å; M277-A296 CarbonylContact O-C 3.48Å; M277-A296 WeakPolarHBondContact O-CA 3.49Å; M277-A296 VanDerWaalsContact O-CB 3.29Å; M277-A296 WeakPolarHBondContact O-CB 3.49Å; M277-S297 PolarHBondContact N-O 2.9Å; M277-S297 PolarHBondContact O-N 2.97Å
278I90.7Very high67.4Low0 Ų065.5 Ų65.50%036%0.361CS..EExtended strand (participates in β ladder)trans-80124.4178.8-67172.3000111.1G249 S250 I252 R281 Y294G249-I278 PolarHBondContact N-O 3.07Å; S250-I278 PolarHBondContact O-N 3.08Å; I252-I278 HydrophobicContact CD1-CD1 3.92Å; I252-I278 HydrophobicContact CD1-CG1 3.98Å; I252-I278 HydrophobicContact CG1-CD1 4.19Å; I252-I278 HydrophobicContact CG1-CG1 4.17Å; I252-I278 HydrophobicContact CG2-CD1 4.14Å; I278-R281 HydrophobicContact CG2-CG 4.05Å; I278-Y294 HydrophobicContact CD1-CD1 3.67Å; I278-Y294 HydrophobicContact CD1-CD2 4.26Å; I278-Y294 HydrophobicContact CD1-CE1 3.96Å; I278-Y294 HydrophobicContact CD1-CG 3.82Å; I278-Y294 HydrophobicContact CG1-CD1 4.16Å; I278-Y294 HydrophobicContact CG1-CG 4.15Å; I278-Y294 HydrophobicContact CG2-CD1 3.59Å; I278-Y294 HydrophobicContact CG2-CE1 4.39Å; I278-Y294 HydrophobicContact CG2-CG 4.22Å
279H84.7Confident67.1Low69 Ų6965 Ų6532%0.31936%0.355SS..EExtended strand (participates in β ladder)trans-110.2-40.8175.7-58.3-71.3000113.1T248 M277 V295 S297 I303T248-H279 WeakPolarHBondContact CG2-O 3.33Å; M277-H279 PolarHBondContact O-CD2 2.79Å; M277-H279 PolarHBondContact O-NE2 3.12Å; H279-V295 PolarHBondContact N-O 2.82Å; H279-S297 WeakPolarHBondContact NE2-CB 3.34Å; H279-S297 PolarHBondContact NE2-OG 2.88Å; H279-I303 HydrophobicContact CB-CD1 4.45Å
280G81.8Confident67.2Low13 Ų1357.4 Ų57.413%0.13432%0.315CS..EExtended strand (participates in β ladder)trans-118.9154.1178.500000112Y294 V295G280-Y294 VanDerWaalsContact O-CA 3.25Å; G280-Y294 WeakPolarHBondContact O-CA 3.39Å; G280-V295 PolarHBondContact N-O 3.36Å; G280-V295 PolarHBondContact O-N 3.17Å
281R83.9Confident67.2Low24 Ų2455.2 Ų55.29%0.09130%0.299CS..EExtended strand (participates in β ladder)trans-139.3136.1-174.1-49.1-164.9-73.1168-10.9111.4I245 Y246 T248 I278 L283 D293 Y294 E330 L338I245-R281 PolarHBondContact O-NH1 2.57Å; I245-R281 VanDerWaalsContact O-NH1 3.11Å; Y246-R281 WeakPolarHBondContact O-CD 3.24Å; Y246-R281 PolarHBondContact O-NH1 3.12Å; T248-R281 HydrophobicContact CG2-CG 3.9Å; I278-R281 HydrophobicContact CG2-CG 4.05Å; R281-L283 VanDerWaalsContact C-N 3.26Å; R281-L283 PolarHBondContact O-N 3.4Å; R281-D293 CarbonylContact C-O 3.59Å; R281-D293 WeakPolarHBondContact CA-O 3.47Å; R281-Y294 HydrophobicContact CB-CD1 4.33Å; R281-Y294 HydrophobicContact CG-CD1 4.08Å; R281-Y294 HydrophobicContact CG-CE1 4.31Å; R281-E330 IonicContact CZ-OE1 3.43Å; R281-E330 IonicContact NH1-OE1 3.84Å; R281-E330 PolarHBondContact NH1-OE1 3.26Å; R281-E330 IonicContact NH2-OE1 3.58Å; R281-E330 PolarHBondContact NH2-OE1 2.92Å; R281-L338 HydrophobicContact CB-CD1 4.14Å
282R70.2Confident67.4Low9 Ų947.5 Ų47.53%0.03426%0.258CS..EExtended strand (participates in β ladder)trans38.253.9-179-59.2-70.4-166.8177.48.8111.8D239 I245 I292 D293 N314 W342D239-R282 PolarHBondContact O-NH2 3.3Å; D239-R282 IonicContact OD2-CZ 2.7Å; D239-R282 IonicContact OD2-NH1 2.68Å; D239-R282 PolarHBondContact OD2-NH1 3.08Å; D239-R282 IonicContact OD2-NH2 3.38Å; D239-R282 PolarHBondContact OD2-NH2 2.87Å; I245-R282 HydrophobicContact CD1-CG 4.37Å; R282-I292 CarbonylContact C-O 3.57Å; R282-I292 WeakPolarHBondContact CA-O 3.36Å; R282-I292 PolarHBondContact N-O 2.71Å; R282-D293 IonicContact CZ-OD1 2.77Å; R282-D293 PolarHBondContact N-O 3.33Å; R282-D293 IonicContact NE-OD1 3.08Å; R282-D293 IonicContact NH1-OD1 3.08Å; R282-D293 PolarHBondContact NH1-OD1 2.84Å; R282-N314 PolarHBondContact NH1-ND2 2.9Å; R282-N314 PolarHBondContact NH2-ND2 3.42Å; R282-N314 VanDerWaalsContact NH2-ND2 3.2Å; R282-W342 HydrophobicContact CB-CD2 4.49Å; R282-W342 VanDerWaalsContact O-CH2 3.26Å; R282-W342 WeakPolarHBondContact O-CH2 3.39Å; R282-W342 WeakPolarHBondContact O-CZ2 2.88Å
283L64.4Low68Low64 Ų6442.6 Ų42.634%0.33523%0.232SC..EExtended strand (participates in β ladder)trans-80.3143.6-176.9-61.3-178.5000111.2R281 C291 I292 V295R281-L283 VanDerWaalsContact C-N 3.26Å; R281-L283 PolarHBondContact O-N 3.4Å; L283-C291 CarbonylContact O-C 3.58Å; L283-C291 WeakPolarHBondContact O-CA 3.25Å; L283-C291 WeakPolarHBondContact O-CB 3.5Å; L283-I292 HydrophobicContact CB-CB 4.47Å; L283-I292 PolarHBondContact N-O 3.25Å; L283-I292 PolarHBondContact O-N 2.96Å; L283-V295 HydrophobicContact CD1-CB 4Å; L283-V295 HydrophobicContact CD1-CG2 3.59Å
284P56.9Low68.8Low91 Ų9141.4 Ų41.459%0.59122%0.22SC*.EExtended strand (participates in β ladder)trans-67.9136.8174.327.5-31.3000111W342P284-W342 HydrophobicContact CB-CH2 3.9Å; P284-W342 HydrophobicContact CG-CH2 4.26Å
285F51.6Low68.8Low85 Ų8541.7 Ų41.737%0.37322%0.222SC..PPolyproline II helixtrans-90.8134.7168.5-170.7-86.6000110.4D287 S288 A290 I292F285-D287 PolarHBondContact O-N 3.39Å; F285-S288 PolarHBondContact O-N 3.09Å; F285-S288 PolarHBondContact O-OG 3.02Å; F285-A290 WeakPolarHBondContact CB-O 3.34Å; F285-A290 PolarHBondContact N-O 2.85Å; F285-I292 HydrophobicContact CD2-CD1 4.11Å; F285-I292 HydrophobicContact CD2-CG1 4.3Å
286E46.4Very low68.6Low175 Ų17541.5 Ų41.582%0.81822%0.221SC*.THydrogen-bonded Turntrans-47.4137.4-175.1-64.7-170.3150.200113.2S288E286-S288 VanDerWaalsContact C-N 3.26Å; E286-S288 PolarHBondContact O-N 3.27Å
287D45.7Very low68.4Low138 Ų13841.9 Ų41.974%0.73822%0.223SC*.THydrogen-bonded Turntrans52.230.5-179.6-74.6-31.2000116.1F285 K562F285-D287 PolarHBondContact O-N 3.39Å; D287-K562 IonicContact OD1-NZ 3.84Å; D287-K562 PolarHBondContact OD1-NZ 3.07Å
288S44.3Very low67.9Low36 Ų3641.4 Ų41.425%0.25222%0.222SC..SBendtrans-156.9158.4174.863.90000118.2F285 E286 A290 K353F285-S288 PolarHBondContact O-N 3.09Å; F285-S288 PolarHBondContact O-OG 3.02Å; E286-S288 VanDerWaalsContact C-N 3.26Å; E286-S288 PolarHBondContact O-N 3.27Å; S288-A290 PolarHBondContact O-N 3.39Å; S288-K353 PolarHBondContact OG-NZ 2.67Å
289T49.4Very low67.6Low67 Ų6746.1 Ų46.141%0.41124%0.24SC..SBendtrans-74.739.8171550000113.4N347T289-N347 WeakPolarHBondContact CA-OD1 3.25Å; T289-N347 WeakPolarHBondContact O-CA 3.46Å; T289-N347 PolarHBondContact O-OD1 2.87Å
290A54.7Low67.6Low4 Ų446.9 Ų46.93%0.03325%0.251CS..EExtended strand (participates in β ladder)trans-129.8140.2-177.500000110.4F285 S288 R348 K353F285-A290 WeakPolarHBondContact CB-O 3.34Å; F285-A290 PolarHBondContact N-O 2.85Å; S288-A290 PolarHBondContact O-N 3.39Å; A290-R348 CarbonylContact C-O 3.52Å; A290-R348 WeakPolarHBondContact CA-O 3.38Å; A290-K353 HydrophobicContact CB-CD 3.78Å; A290-K353 HydrophobicContact CB-CG 4.48Å
291C59.2Low67.6Low4 Ų452.3 Ų52.33%0.02727%0.271CS..EExtended strand (participates in β ladder)trans-107.7149.7176.766.50000113L283 W342 R348 S349 Y350L283-C291 CarbonylContact O-C 3.58Å; L283-C291 WeakPolarHBondContact O-CA 3.25Å; L283-C291 WeakPolarHBondContact O-CB 3.5Å; C291-W342 HydrophobicContact CB-CE3 3.96Å; C291-W342 HydrophobicContact CB-CZ3 3.68Å; C291-R348 PolarHBondContact N-O 3.02Å; C291-R348 PolarHBondContact SG-O 3.16Å; C291-S349 CarbonylContact O-C 3.55Å; C291-S349 WeakPolarHBondContact O-CA 3.34Å; C291-Y350 PolarHBondContact O-N 2.83Å
292I65.2Low67.4Low19 Ų1952.2 Ų52.210%0.09728%0.277CS..EExtended strand (participates in β ladder)trans-83.6123.4158.4-63.3155.1000106.2R282 L283 F285 Y294 V295 Y311R282-I292 CarbonylContact C-O 3.57Å; R282-I292 WeakPolarHBondContact CA-O 3.36Å; R282-I292 PolarHBondContact N-O 2.71Å; L283-I292 HydrophobicContact CB-CB 4.47Å; L283-I292 PolarHBondContact N-O 3.25Å; L283-I292 PolarHBondContact O-N 2.96Å; F285-I292 HydrophobicContact CD2-CD1 4.11Å; F285-I292 HydrophobicContact CD2-CG1 4.3Å; I292-Y294 WeakPolarHBondContact CG2-O 3.37Å; I292-V295 HydrophobicContact CG2-CG2 4.27Å; I292-Y311 HydrophobicContact CD1-CD1 3.7Å; I292-Y311 HydrophobicContact CD1-CE1 3.61Å; I292-Y311 HydrophobicContact CD1-CG 4.37Å; I292-Y311 HydrophobicContact CG1-CD1 4.16Å; I292-Y311 HydrophobicContact CG2-CD1 3.74Å; I292-Y311 HydrophobicContact CG2-CG 4.26Å
293D70.2Confident67.7Low0 Ų057.1 Ų57.10%030%0.303CS..EExtended strand (participates in β ladder)trans-66.2-44.7-176.9-58-41.8000111.4R281 R282 T313 N314 S349R281-D293 CarbonylContact C-O 3.59Å; R281-D293 WeakPolarHBondContact CA-O 3.47Å; R282-D293 IonicContact CZ-OD1 2.77Å; R282-D293 PolarHBondContact N-O 3.33Å; R282-D293 IonicContact NE-OD1 3.08Å; R282-D293 IonicContact NH1-OD1 3.08Å; R282-D293 PolarHBondContact NH1-OD1 2.84Å; D293-T313 VanDerWaalsContact OD2-CA 3.27Å; D293-T313 WeakPolarHBondContact OD2-CA 3.37Å; D293-T313 WeakPolarHBondContact OD2-CB 3.43Å; D293-N314 PolarHBondContact OD2-N 3.39Å; D293-N314 VanDerWaalsContact OD2-N 3.14Å; D293-S349 VanDerWaalsContact CG-OG 3.26Å; D293-S349 WeakPolarHBondContact OD1-CB 3.42Å; D293-S349 PolarHBondContact OD1-OG 3.14Å; D293-S349 VanDerWaalsContact OD2-CB 3.25Å; D293-S349 WeakPolarHBondContact OD2-CB 3.25Å; D293-S349 PolarHBondContact OD2-OG 2.61Å
294Y82.3Confident68.1Low0 Ų058.3 Ų58.30%031%0.308CS..EExtended strand (participates in β ladder)trans-140.8142.3171.4-50.8-78.8000112.9E244 I245 Y246 I278 G280 R281 I292 V312 N314 I317E244-Y294 PolarHBondContact O-OH 2.79Å; I245-Y294 WeakPolarHBondContact CA-OH 3.44Å; Y246-Y294 HydrophobicContact CD2-CE2 4.29Å; Y246-Y294 AromaticContact CD2-CZ 3.89Å; Y246-Y294 WeakPolarHBondContact CD2-OH 3.43Å; Y246-Y294 PolarHBondContact N-OH 2.91Å; Y246-Y294 VanDerWaalsContact N-OH 3.1Å; I278-Y294 HydrophobicContact CD1-CD1 3.67Å; I278-Y294 HydrophobicContact CD1-CD2 4.26Å; I278-Y294 HydrophobicContact CD1-CE1 3.96Å; I278-Y294 HydrophobicContact CD1-CG 3.82Å; I278-Y294 HydrophobicContact CG1-CD1 4.16Å; I278-Y294 HydrophobicContact CG1-CG 4.15Å; I278-Y294 HydrophobicContact CG2-CD1 3.59Å; I278-Y294 HydrophobicContact CG2-CE1 4.39Å; I278-Y294 HydrophobicContact CG2-CG 4.22Å; G280-Y294 VanDerWaalsContact O-CA 3.25Å; G280-Y294 WeakPolarHBondContact O-CA 3.39Å; R281-Y294 HydrophobicContact CB-CD1 4.33Å; R281-Y294 HydrophobicContact CG-CD1 4.08Å; R281-Y294 HydrophobicContact CG-CE1 4.31Å; I292-Y294 WeakPolarHBondContact CG2-O 3.37Å; Y294-V312 PolarHBondContact N-O 2.83Å; Y294-V312 PolarHBondContact O-N 2.71Å; Y294-N314 VanDerWaalsContact CE2-OD1 3.24Å; Y294-N314 WeakPolarHBondContact CE2-OD1 3.37Å; Y294-N314 PolarHBondContact OH-OD1 2.86Å; Y294-I317 HydrophobicContact CD2-CD1 3.88Å; Y294-I317 HydrophobicContact CE2-CD1 3.5Å
295V76.5Confident68.9Low19 Ų1959.6 Ų59.612%0.11532%0.316CS..EExtended strand (participates in β ladder)trans-96.3126.1158.7153.80000107.4H279 G280 L283 I292 P309 Y311H279-V295 PolarHBondContact N-O 2.82Å; G280-V295 PolarHBondContact N-O 3.36Å; G280-V295 PolarHBondContact O-N 3.17Å; L283-V295 HydrophobicContact CD1-CB 4Å; L283-V295 HydrophobicContact CD1-CG2 3.59Å; I292-V295 HydrophobicContact CG2-CG2 4.27Å; V295-P309 HydrophobicContact CG1-CB 3.87Å; V295-Y311 HydrophobicContact CG2-CD1 3.64Å; V295-Y311 HydrophobicContact CG2-CE1 3.62Å
296A83.1Confident69.5Low0 Ų064.9 Ų64.90%034%0.342CS..EExtended strand (participates in β ladder)trans-130.4167.8-177.100000112.2V276 M277 I310 V312V276-A296 HydrophobicContact CB-CB 4.03Å; V276-A296 HydrophobicContact CG2-CB 3.83Å; M277-A296 CarbonylContact O-C 3.48Å; M277-A296 WeakPolarHBondContact O-CA 3.49Å; M277-A296 VanDerWaalsContact O-CB 3.29Å; M277-A296 WeakPolarHBondContact O-CB 3.49Å; A296-I310 PolarHBondContact N-O 2.86Å; A296-I310 PolarHBondContact O-N 3.31Å; A296-V312 HydrophobicContact CB-CG2 3.93Å
297S82.6Confident70.1Confident8 Ų860.2 Ų60.26%0.05633%0.326CS..EExtended strand (participates in β ladder)trans-133.2165.3168.478.20000110.3V276 M277 H279 W299 G302V276-S297 CarbonylContact C-O 3.53Å; V276-S297 WeakPolarHBondContact CA-O 3.45Å; V276-S297 VanDerWaalsContact CB-O 3.25Å; V276-S297 WeakPolarHBondContact CB-O 3.49Å; M277-S297 PolarHBondContact N-O 2.9Å; M277-S297 PolarHBondContact O-N 2.97Å; H279-S297 WeakPolarHBondContact NE2-CB 3.34Å; H279-S297 PolarHBondContact NE2-OG 2.88Å; S297-W299 PolarHBondContact O-N 2.83Å; S297-G302 VanDerWaalsContact CB-C 3.48Å; S297-G302 WeakPolarHBondContact CB-O 3.2Å; S297-G302 WeakPolarHBondContact OG-CA 3.29Å; S297-G302 PolarHBondContact OG-O 2.82Å; S297-G302 VanDerWaalsContact OG-O 3.09Å
298L82.3Confident70.8Confident44 Ų4462.3 Ų62.323%0.2333%0.331CS..EExtended strand (participates in β ladder)trans-59.1139.1173.9-60.3179.7000111.6F267 L274 V276 F301 G302 I310F267-L298 HydrophobicContact CE1-CD2 4.1Å; F267-L298 HydrophobicContact CE2-CD2 4.16Å; F267-L298 HydrophobicContact CZ-CD1 3.84Å; F267-L298 HydrophobicContact CZ-CD2 3.4Å; F267-L298 VanDerWaalsContact CZ-CD2 3.4Å; F267-L298 HydrophobicContact CZ-CG 4.24Å; L274-L298 HydrophobicContact CD1-CD2 3.74Å; V276-L298 HydrophobicContact CG1-CD2 4.2Å; L298-F301 HydrophobicContact CB-CB 4.44Å; L298-F301 HydrophobicContact CB-CD2 3.96Å; L298-F301 PolarHBondContact O-N 2.76Å; L298-F301 VanDerWaalsContact O-N 3.16Å; L298-G302 PolarHBondContact O-N 3.29Å; L298-I310 HydrophobicContact CD2-CD1 3.53Å; L298-I310 HydrophobicContact CG-CD1 4.03Å
299W83.4Confident72Confident100 Ų10063.2 Ų63.238%0.37934%0.336SS..THydrogen-bonded Turntrans-94.5139.8169.9-172.294.2000109.7V251 L272 S275 S297 F301V251-W299 HydrophobicContact CG1-CB 4.22Å; V251-W299 HydrophobicContact CG1-CD2 4.42Å; V251-W299 HydrophobicContact CG1-CG 3.88Å; V251-W299 HydrophobicContact CG2-CG 4.39Å; L272-W299 HydrophobicContact CD1-CE3 4.44Å; L272-W299 HydrophobicContact CD1-CZ3 3.85Å; L272-W299 HydrophobicContact CD2-CZ3 4.5Å; S275-W299 WeakPolarHBondContact O-CB 3.32Å; S275-W299 PolarHBondContact O-N 2.67Å; S297-W299 PolarHBondContact O-N 2.83Å; W299-F301 VanDerWaalsContact C-N 3.34Å
300P85.6Confident73Confident85 Ų8562.2 Ų62.255%0.55233%0.328SS*.THydrogen-bonded Turncis-86.85.6-0.936.6-36.5000113.9G302P300-G302 PolarHBondContact O-N 3.41Å
301F80.7Confident73.8Confident127 Ų12768.3 Ų68.356%0.55735%0.351SS*.THydrogen-bonded Turntrans-63.9-29.9-165.7-63.6-67.8000116.1L298 W299 M304L298-F301 HydrophobicContact CB-CB 4.44Å; L298-F301 HydrophobicContact CB-CD2 3.96Å; L298-F301 PolarHBondContact O-N 2.76Å; L298-F301 VanDerWaalsContact O-N 3.16Å; W299-F301 VanDerWaalsContact C-N 3.34Å; F301-M304 HydrophobicContact CB-CE 3.9Å; F301-M304 HydrophobicContact CB-SD 4.45Å; F301-M304 HydrophobicContact CD1-CE 3.75Å; F301-M304 HydrophobicContact CG-CE 4.23Å
302G81Confident74.4Confident22 Ų2268.2 Ų68.223%0.22735%0.35CS..  trans73.5-163.5-173.300000112.4S297 L298 P300S297-G302 VanDerWaalsContact CB-C 3.48Å; S297-G302 WeakPolarHBondContact CB-O 3.2Å; S297-G302 WeakPolarHBondContact OG-CA 3.29Å; S297-G302 PolarHBondContact OG-O 2.82Å; S297-G302 VanDerWaalsContact OG-O 3.09Å; L298-G302 PolarHBondContact O-N 3.29Å; P300-G302 PolarHBondContact O-N 3.41Å
303I76.7Confident74.9Confident112 Ų11268 Ų6857%0.57435%0.349SS*.SBendtrans-84.1127173.7-61.5171000108.2H279H279-I303 HydrophobicContact CB-CD1 4.45Å
304M73Confident75.1Confident89 Ų8968.8 Ų68.844%0.43835%0.354SS..  trans-111.5153.9178.1-70.6-178.1162.800111.6F301 T307F301-M304 HydrophobicContact CB-CE 3.9Å; F301-M304 HydrophobicContact CB-SD 4.45Å; F301-M304 HydrophobicContact CD1-CE 3.75Å; F301-M304 HydrophobicContact CG-CE 4.23Å; M304-T307 HydrophobicContact CB-CG2 3.86Å; M304-T307 PolarHBondContact N-OG1 3.4Å; M304-T307 PolarHBondContact O-N 3.17Å; M304-T307 PolarHBondContact O-OG1 2.76Å
305P72.7Confident74.7Confident117 Ų11769.3 Ų69.376%0.7636%0.356SS*.THydrogen-bonded Turntrans-53.6145.1167.4-23.234.3000111.4T307P305-T307 PolarHBondContact O-N 3.04Å; P305-T307 VanDerWaalsContact O-N 3.14Å
306E65.1Low74.5Confident197 Ų19770.9 Ų70.992%0.92136%0.363SS*.THydrogen-bonded Turntrans57.218.6-177.8-42.6-50.4145.700115.6
307T57.8Low74.4Confident77 Ų7771.2 Ų71.247%0.47237%0.365SS..  trans-111.9131.4172.464.60000111.8M304 P305M304-T307 HydrophobicContact CB-CG2 3.86Å; M304-T307 PolarHBondContact N-OG1 3.4Å; M304-T307 PolarHBondContact O-N 3.17Å; M304-T307 PolarHBondContact O-OG1 2.76Å; P305-T307 PolarHBondContact O-N 3.04Å; P305-T307 VanDerWaalsContact O-N 3.14Å
308E62Low74.3Confident182 Ų18274.9 Ų74.985%0.8538%0.38SS*.PPolyproline II helixtrans-76144.9175-67.2-166.2162.200111.7
309P69.5Low74.3Confident55 Ų5580 Ų8036%0.35740%0.396SS..PPolyproline II helixtrans-69.2143.3175.828.4-34.2000112V295 Y311V295-P309 HydrophobicContact CG1-CB 3.87Å; P309-Y311 HydrophobicContact CG-CE1 4.18Å; P309-Y311 PolarHBondContact O-N 2.92Å
310I68.7Low74.6Confident46 Ų4677.4 Ų77.424%0.23639%0.391CS..EExtended strand (participates in β ladder)trans-83.4117.7176.5-55.6175.2000108.8V276 A296 L298 V312V276-I310 HydrophobicContact CG1-CD1 3.96Å; A296-I310 PolarHBondContact N-O 2.86Å; A296-I310 PolarHBondContact O-N 3.31Å; L298-I310 HydrophobicContact CD2-CD1 3.53Å; L298-I310 HydrophobicContact CG-CD1 4.03Å; I310-V312 HydrophobicContact CG2-CG2 3.88Å
311Y71.5Confident74.6Confident132 Ų13277.2 Ų77.252%0.51839%0.385SS..EExtended strand (participates in β ladder)trans-82.8119.5171.7-57.5-49.1000110.4I292 V295 P309I292-Y311 HydrophobicContact CD1-CD1 3.7Å; I292-Y311 HydrophobicContact CD1-CE1 3.61Å; I292-Y311 HydrophobicContact CD1-CG 4.37Å; I292-Y311 HydrophobicContact CG1-CD1 4.16Å; I292-Y311 HydrophobicContact CG2-CD1 3.74Å; I292-Y311 HydrophobicContact CG2-CG 4.26Å; V295-Y311 HydrophobicContact CG2-CD1 3.64Å; V295-Y311 HydrophobicContact CG2-CE1 3.62Å; P309-Y311 HydrophobicContact CG-CE1 4.18Å; P309-Y311 PolarHBondContact O-N 2.92Å
312V72.8Confident75.2Confident1 Ų174.5 Ų74.51%0.00638%0.382CS..EExtended strand (participates in β ladder)trans-116.6141.7-176.81800000109.9I252 L254 V276 Y294 A296 I310 M316 I317I252-V312 HydrophobicContact CD1-CG1 3.96Å; L254-V312 HydrophobicContact CD1-CG2 4.19Å; L254-V312 HydrophobicContact CD2-CG1 3.7Å; L254-V312 HydrophobicContact CD2-CG2 4.21Å; V276-V312 HydrophobicContact CG2-CG2 4.3Å; Y294-V312 PolarHBondContact N-O 2.83Å; Y294-V312 PolarHBondContact O-N 2.71Å; A296-V312 HydrophobicContact CB-CG2 3.93Å; I310-V312 HydrophobicContact CG2-CG2 3.88Å; V312-M316 HydrophobicContact CG1-CB 4.12Å; V312-I317 HydrophobicContact CG1-CG1 4.07Å
313T76.2Confident75.8Confident14 Ų1476.7 Ų76.79%0.08639%0.393CS..  trans-109.1158.1174.265.20000111D293 L315 M316 L351D293-T313 VanDerWaalsContact OD2-CA 3.27Å; D293-T313 WeakPolarHBondContact OD2-CA 3.37Å; D293-T313 WeakPolarHBondContact OD2-CB 3.43Å; T313-L315 PolarHBondContact O-N 2.9Å; T313-L315 VanDerWaalsContact O-N 3.14Å; T313-M316 HydrophobicContact CG2-SD 4.21Å; T313-M316 PolarHBondContact N-SD 2.96Å; T313-M316 VanDerWaalsContact N-SD 3.45Å; T313-M316 WeakPolarHBondContact O-CB 3.34Å; T313-M316 PolarHBondContact O-N 3.46Å; T313-M316 WeakPolarHBondContact OG1-CG 3.46Å; T313-M316 PolarHBondContact OG1-SD 2.96Å; T313-M316 VanDerWaalsContact OG1-SD 3.33Å; T313-L351 HydrophobicContact CG2-CB 4.13Å
314N74.7Confident76.4Confident17 Ų1772.1 Ų72.19%0.09137%0.374CS..G310 helixtrans-55-33178.1-79.7-27.1000113.6D239 S243 R282 D293 Y294 I317D239-N314 VanDerWaalsContact CG-ND2 3.26Å; D239-N314 WeakPolarHBondContact OD1-CB 3.49Å; D239-N314 PolarHBondContact OD1-ND2 3.48Å; D239-N314 PolarHBondContact OD2-ND2 3.44Å; S243-N314 WeakPolarHBondContact CB-ND2 3.24Å; R282-N314 PolarHBondContact NH1-ND2 2.9Å; R282-N314 PolarHBondContact NH2-ND2 3.42Å; R282-N314 VanDerWaalsContact NH2-ND2 3.2Å; D293-N314 PolarHBondContact OD2-N 3.39Å; D293-N314 VanDerWaalsContact OD2-N 3.14Å; Y294-N314 VanDerWaalsContact CE2-OD1 3.24Å; Y294-N314 WeakPolarHBondContact CE2-OD1 3.37Å; Y294-N314 PolarHBondContact OH-OD1 2.86Å; N314-I317 PolarHBondContact O-N 3.38Å
315L72.3Confident77.3Confident11 Ų1174.6 Ų74.66%0.05839%0.388CS..G310 helixtrans-67-36.7178.5-169.372.1000112.7N184 L185 F188 L258 T313 I317 L351N184-L315 HydrophobicContact CB-CD1 3.62Å; L185-L315 HydrophobicContact CD2-CD1 3.64Å; L185-L315 HydrophobicContact CD2-CD2 4.34Å; L185-L315 HydrophobicContact CD2-CG 3.83Å; L185-L315 HydrophobicContact CG-CD1 3.79Å; F188-L315 HydrophobicContact CB-CD2 4.21Å; F188-L315 HydrophobicContact CD2-CD2 3.3Å; F188-L315 HydrophobicContact CE2-CD2 3.86Å; F188-L315 HydrophobicContact CG-CD2 3.92Å; L258-L315 HydrophobicContact CD1-CD2 4.17Å; L258-L315 HydrophobicContact CD1-CG 4.05Å; T313-L315 PolarHBondContact O-N 2.9Å; T313-L315 VanDerWaalsContact O-N 3.14Å; L315-I317 PolarHBondContact O-N 3.23Å; L315-L351 HydrophobicContact CB-CD2 3.68Å; L315-L351 HydrophobicContact CD2-CD1 4.49Å; L315-L351 HydrophobicContact CD2-CD2 4.09Å; L315-L351 HydrophobicContact CG-CD2 4.5Å
316M73.2Confident77.9Confident53 Ų5371.7 Ų71.726%0.26137%0.368SS..G310 helixtrans-68.7-14.4-180-68.8161.4166.200112.9L254 E255 L258 V312 T313 K318L254-M316 CarbonylContact C-O 3.57Å; L254-M316 VanDerWaalsContact CA-O 3.26Å; L254-M316 WeakPolarHBondContact CA-O 3.38Å; L254-M316 HydrophobicContact CD2-CB 4.41Å; E255-M316 PolarHBondContact N-O 3.23Å; L258-M316 HydrophobicContact CD1-CG 4.43Å; V312-M316 HydrophobicContact CG1-CB 4.12Å; T313-M316 HydrophobicContact CG2-SD 4.21Å; T313-M316 PolarHBondContact N-SD 2.96Å; T313-M316 VanDerWaalsContact N-SD 3.45Å; T313-M316 WeakPolarHBondContact O-CB 3.34Å; T313-M316 PolarHBondContact O-N 3.46Å; T313-M316 WeakPolarHBondContact OG1-CG 3.46Å; T313-M316 PolarHBondContact OG1-SD 2.96Å; T313-M316 VanDerWaalsContact OG1-SD 3.33Å; M316-K318 PolarHBondContact O-N 3.02Å
317I81.2Confident78.7Confident6 Ų666 Ų663%0.03134%0.344CS..EExtended strand (participates in β ladder)trans-80.3114.4179.7-58.3179.8000109R181 Y246 I252 Y294 V312 N314 L315R181-I317 PolarHBondContact NE-O 3.31Å; R181-I317 PolarHBondContact NH2-O 3.14Å; Y246-I317 HydrophobicContact CD2-CD1 3.74Å; Y246-I317 HydrophobicContact CE2-CD1 3.63Å; Y246-I317 HydrophobicContact CE2-CG2 4.15Å; I252-I317 HydrophobicContact CB-CG2 4.25Å; I252-I317 HydrophobicContact CD1-CD1 3.91Å; I252-I317 HydrophobicContact CD1-CG1 3.81Å; I252-I317 HydrophobicContact CG2-CD1 4.42Å; I252-I317 HydrophobicContact CG2-CG2 4.01Å; Y294-I317 HydrophobicContact CD2-CD1 3.88Å; Y294-I317 HydrophobicContact CE2-CD1 3.5Å; V312-I317 HydrophobicContact CG1-CG1 4.07Å; N314-I317 PolarHBondContact O-N 3.38Å; L315-I317 PolarHBondContact O-N 3.23Å
318K79.6Confident79.6Confident86 Ų8670.4 Ų70.437%0.37436%0.359SS..EExtended strand (participates in β ladder)trans-80.6-46175.6-178.3178.1-176.4-169.80111.1E253 E255 M316E253-K318 HydrophobicContact CB-CB 4.43Å; E253-K318 HydrophobicContact CG-CD 4.12Å; E253-K318 WeakPolarHBondContact O-CB 3.24Å; E253-K318 PolarHBondContact O-N 3.05Å; E253-K318 VanDerWaalsContact OE1-CD 3.29Å; E253-K318 WeakPolarHBondContact OE1-CD 3.43Å; E253-K318 VanDerWaalsContact OE1-CE 3.28Å; E253-K318 WeakPolarHBondContact OE1-CE 3.25Å; E253-K318 IonicContact OE1-NZ 3.45Å; E253-K318 PolarHBondContact OE1-NZ 3.43Å; E255-K318 HydrophobicContact CB-CB 4.29Å; E255-K318 WeakPolarHBondContact OE1-CD 3.44Å; E255-K318 WeakPolarHBondContact OE1-CE 3.19Å; E255-K318 VanDerWaalsContact OE1-CG 3.24Å; E255-K318 WeakPolarHBondContact OE1-CG 3.47Å; M316-K318 PolarHBondContact O-N 3.02Å
319R83.4Confident80.4Confident151 Ų15169.9 Ų69.957%0.5735%0.351SS*.EExtended strand (participates in β ladder)trans-160.2159.6169.457.9175.5171.5177.8-3.2111.6I252 E253I252-R319 WeakPolarHBondContact CA-O 3.22Å; E253-R319 HydrophobicContact CB-CG 3.95Å; E253-R319 PolarHBondContact N-O 2.86Å; E253-R319 IonicContact OE2-CZ 2.82Å; E253-R319 IonicContact OE2-NE 3.01Å; E253-R319 PolarHBondContact OE2-NE 3.41Å; E253-R319 IonicContact OE2-NH2 2.67Å; E253-R319 PolarHBondContact OE2-NH2 2.91Å
320V88.2Confident81.2Confident46 Ų4668.4 Ų68.428%0.27934%0.339SS..EExtended strand (participates in β ladder)trans-78127.7159.4-177.30000108.2Y246 I252 S322Y246-V320 HydrophobicContact CD1-CG2 3.6Å; Y246-V320 HydrophobicContact CD2-CG2 4.3Å; Y246-V320 HydrophobicContact CE1-CG2 3.38Å; Y246-V320 HydrophobicContact CE2-CG2 4.11Å; Y246-V320 HydrophobicContact CG-CG2 4.07Å; I252-V320 HydrophobicContact CG2-CG2 4.09Å; V320-S322 VanDerWaalsContact CG1-C 3.44Å; V320-S322 WeakPolarHBondContact CG1-O 3.4Å
321I86.8Confident81.2Confident81 Ų8171.8 Ų71.842%0.41535%0.354SS..EExtended strand (participates in β ladder)trans-87-43.5172.3-57.7178.1000109.4V251 E253 S275V251-I321 HydrophobicContact CG1-CB 4.37Å; V251-I321 HydrophobicContact CG1-CD1 4.36Å; V251-I321 PolarHBondContact O-N 3.21Å; E253-I321 HydrophobicContact CB-CD1 3.99Å; E253-I321 HydrophobicContact CB-CG1 4.12Å; S275-I321 WeakPolarHBondContact OG-CD1 3.4Å
322S93Very high81.1Confident70 Ų7071.4 Ų71.449%0.4936%0.357SS..EExtended strand (participates in β ladder)trans-145.8133.6174.4-170.20000109.8S250 V251 V320S250-S322 CarbonylContact C-O 3.44Å; S250-S322 VanDerWaalsContact CA-O 3.32Å; S250-S322 WeakPolarHBondContact CA-O 3.47Å; V251-S322 PolarHBondContact N-O 2.71Å; V251-S322 PolarHBondContact O-N 3.43Å; V251-S322 VanDerWaalsContact O-N 3.11Å; V320-S322 VanDerWaalsContact CG1-C 3.44Å; V320-S322 WeakPolarHBondContact CG1-O 3.4Å
323S92.7Very high81.3Confident68 Ų6875.2 Ų75.248%0.47637%0.373SS..  trans-79.4141.6174.3-169.60000110.4P247P247-S323 VanDerWaalsContact CG-OG 3.22Å; P247-S323 WeakPolarHBondContact CG-OG 3.24Å
324G91.1Very high81Confident16 Ų1675 Ų7517%0.16537%0.373CS..  trans-65.4-177.3162.800000112.6P247 S250 T326P247-G324 WeakPolarHBondContact CG-O 3.38Å; S250-G324 PolarHBondContact OG-N 3.37Å; G324-T326 PolarHBondContact O-N 2.72Å
325L91.1Very high80.4Confident140 Ų14078.4 Ų78.473%0.73339%0.387SS*.  trans-68.6114.9-178.5177.264.4000111.4
326T85.3Confident79.6Confident56 Ų5680.1 Ų80.134%0.34440%0.395SS..  trans-118.2146.3172.1-690000110.6P247 G324 E330 E331P247-T326 VanDerWaalsContact CG-OG1 3.25Å; P247-T326 WeakPolarHBondContact CG-OG1 3.39Å; G324-T326 PolarHBondContact O-N 2.72Å; T326-E330 WeakPolarHBondContact CB-OE2 3.12Å; T326-E330 WeakPolarHBondContact CG2-OE2 3.39Å; T326-E330 PolarHBondContact OG1-OE2 3.33Å; T326-E331 HydrophobicContact CG2-CG 3.59Å
327N81.2Confident79.2Confident78 Ų7879.5 Ų79.542%0.41739%0.394SS..  trans-160.3176.9170.858.544.1000108.5Y329 E330 E331N327-Y329 PolarHBondContact O-N 2.83Å; N327-Y329 WeakPolarHBondContact OD1-CB 3.44Å; N327-Y329 PolarHBondContact OD1-N 2.67Å; N327-Y329 VanDerWaalsContact OD1-N 3.08Å; N327-E330 WeakPolarHBondContact O-CA 3.29Å; N327-E330 WeakPolarHBondContact O-CB 3.25Å; N327-E330 PolarHBondContact O-N 3.25Å; N327-E330 PolarHBondContact OD1-N 3.11Å; N327-E331 PolarHBondContact O-N 2.97Å
328E77.9Confident78.5Confident169 Ų16980 Ų8079%0.7940%0.397SS*.Hα-helixtrans-51.1-35.9-178.4-62-179.1173.500114.1Q332E328-Q332 WeakPolarHBondContact O-CB 3.49Å; E328-Q332 PolarHBondContact O-N 3.26Å
329Y77.9Confident77.7Confident172 Ų17278 Ų7868%0.67539%0.387SS*.Hα-helixtrans-73-37.1177.3175.5-91000112.2N327 F333N327-Y329 PolarHBondContact O-N 2.83Å; N327-Y329 WeakPolarHBondContact OD1-CB 3.44Å; N327-Y329 PolarHBondContact OD1-N 2.67Å; N327-Y329 VanDerWaalsContact OD1-N 3.08Å; Y329-F333 VanDerWaalsContact O-CB 3.25Å; Y329-F333 WeakPolarHBondContact O-CB 3.31Å; Y329-F333 PolarHBondContact O-N 3.37Å
330E85.5Confident76.5Confident23 Ų2373.3 Ų73.311%0.10737%0.371CS..Hα-helixtrans-70.1-43.6176.1-161-82.2132.500111.4R281 T326 N327 F333 A334R281-E330 IonicContact CZ-OE1 3.43Å; R281-E330 IonicContact NH1-OE1 3.84Å; R281-E330 PolarHBondContact NH1-OE1 3.26Å; R281-E330 IonicContact NH2-OE1 3.58Å; R281-E330 PolarHBondContact NH2-OE1 2.92Å; T326-E330 WeakPolarHBondContact CB-OE2 3.12Å; T326-E330 WeakPolarHBondContact CG2-OE2 3.39Å; T326-E330 PolarHBondContact OG1-OE2 3.33Å; N327-E330 WeakPolarHBondContact O-CA 3.29Å; N327-E330 WeakPolarHBondContact O-CB 3.25Å; N327-E330 PolarHBondContact O-N 3.25Å; N327-E330 PolarHBondContact OD1-N 3.11Å; E330-F333 PolarHBondContact O-N 3.02Å; E330-A334 WeakPolarHBondContact O-CB 3.05Å; E330-A334 PolarHBondContact O-N 3.46Å
331E69.7Low74.9Confident117 Ų11775.1 Ų75.155%0.54738%0.376SS..Hα-helixtrans-60.5-45.8172.8-66.2176.9-160.100111.3T326 N327 F333 A334 F335T326-E331 HydrophobicContact CG2-CG 3.59Å; N327-E331 PolarHBondContact O-N 2.97Å; E331-F333 PolarHBondContact O-N 3.25Å; E331-A334 PolarHBondContact O-N 3.47Å; E331-F335 WeakPolarHBondContact O-CB 3.3Å; E331-F335 PolarHBondContact O-N 3.14Å
332Q69.1Low73.4Confident125 Ų12573.7 Ų73.758%0.58437%0.366SS*.Hα-helixtrans-64.5-39.1176.6-172177.823.800111.8E328 F335 E336E328-Q332 WeakPolarHBondContact O-CB 3.49Å; E328-Q332 PolarHBondContact O-N 3.26Å; Q332-F335 PolarHBondContact O-N 2.96Å; Q332-E336 HydrophobicContact CG-CG 4.16Å; Q332-E336 WeakPolarHBondContact O-CB 3.14Å; Q332-E336 PolarHBondContact O-N 2.69Å
333F77.3Confident71.5Confident80 Ų8072 Ų7235%0.35135%0.351SS..Hα-helixtrans-66.5-43.3175.5-176.8-93.5000111.6Y329 E330 E331 F335 V337 L338Y329-F333 VanDerWaalsContact O-CB 3.25Å; Y329-F333 WeakPolarHBondContact O-CB 3.31Å; Y329-F333 PolarHBondContact O-N 3.37Å; E330-F333 PolarHBondContact O-N 3.02Å; E331-F333 PolarHBondContact O-N 3.25Å; F333-F335 VanDerWaalsContact C-N 3.32Å; F333-F335 PolarHBondContact O-N 2.68Å; F333-V337 HydrophobicContact CD2-CB 4.08Å; F333-V337 HydrophobicContact CD2-CG2 3.73Å; F333-V337 HydrophobicContact CE2-CB 4.02Å; F333-V337 HydrophobicContact CE2-CG1 4.05Å; F333-V337 HydrophobicContact CE2-CG2 3.89Å; F333-V337 HydrophobicContact CG-CB 4.45Å; F333-V337 HydrophobicContact CG-CG2 4.41Å; F333-V337 HydrophobicContact CZ-CB 4.33Å; F333-V337 HydrophobicContact CZ-CG1 4.15Å; F333-V337 WeakPolarHBondContact O-CA 3.42Å; F333-V337 VanDerWaalsContact O-CB 3.25Å; F333-V337 WeakPolarHBondContact O-CB 3.28Å; F333-V337 PolarHBondContact O-N 2.8Å; F333-L338 HydrophobicContact CD1-CD1 4.07Å; F333-L338 HydrophobicContact CD1-CG 4Å; F333-L338 HydrophobicContact CE1-CD1 3.88Å; F333-L338 HydrophobicContact CE1-CD2 3.84Å; F333-L338 HydrophobicContact CE1-CG 3.7Å; F333-L338 HydrophobicContact CZ-CD2 4.37Å; F333-L338 PolarHBondContact O-N 3.06Å
334A70Confident69.4Low10 Ų1074.3 Ų74.38%0.08335%0.354CS..Iπ-helixtrans-60.1-41.4174.700000111.7I245 E330 E331 L338 R339I245-A334 HydrophobicContact CB-CB 4.35Å; E330-A334 WeakPolarHBondContact O-CB 3.05Å; E330-A334 PolarHBondContact O-N 3.46Å; E331-A334 PolarHBondContact O-N 3.47Å; A334-L338 CarbonylContact O-C 3.58Å; A334-L338 PolarHBondContact O-N 3.01Å; A334-R339 WeakPolarHBondContact O-CB 3.28Å; A334-R339 PolarHBondContact O-N 2.86Å
335F62.6Low67.6Low89 Ų8976.2 Ų76.239%0.3937%0.368SS..Iπ-helixtrans-78-58-179.4-171.4-93.6000113.9E331 Q332 F333 R339 K340E331-F335 WeakPolarHBondContact O-CB 3.3Å; E331-F335 PolarHBondContact O-N 3.14Å; Q332-F335 PolarHBondContact O-N 2.96Å; F333-F335 VanDerWaalsContact C-N 3.32Å; F333-F335 PolarHBondContact O-N 2.68Å; F335-R339 WeakPolarHBondContact O-CB 3.48Å; F335-K340 VanDerWaalsContact O-CB 3.24Å; F335-K340 WeakPolarHBondContact O-CB 3.46Å; F335-K340 PolarHBondContact O-N 3Å
336E55Low65.7Low46 Ų4670.6 Ų70.622%0.21534%0.344CS..Iπ-helixtrans-77.5-26.3-173.6-73-70.7143.400113.4Q332 K340Q332-E336 HydrophobicContact CG-CG 4.16Å; Q332-E336 WeakPolarHBondContact O-CB 3.14Å; Q332-E336 PolarHBondContact O-N 2.69Å; E336-K340 IonicContact OE1-NZ 2.66Å; E336-K340 PolarHBondContact OE1-NZ 3.43Å; E336-K340 WeakPolarHBondContact OE2-CD 3.46Å; E336-K340 IonicContact OE2-NZ 2.74Å; E336-K340 PolarHBondContact OE2-NZ 3.25Å
337V65.3Low64.4Low40 Ų4069.4 Ų69.424%0.24234%0.336CS..Iπ-helixtrans-102.9-69.9176.7-170.90000110.4F333 R339 Q341F333-V337 HydrophobicContact CD2-CB 4.08Å; F333-V337 HydrophobicContact CD2-CG2 3.73Å; F333-V337 HydrophobicContact CE2-CB 4.02Å; F333-V337 HydrophobicContact CE2-CG1 4.05Å; F333-V337 HydrophobicContact CE2-CG2 3.89Å; F333-V337 HydrophobicContact CG-CB 4.45Å; F333-V337 HydrophobicContact CG-CG2 4.41Å; F333-V337 HydrophobicContact CZ-CB 4.33Å; F333-V337 HydrophobicContact CZ-CG1 4.15Å; F333-V337 WeakPolarHBondContact O-CA 3.42Å; F333-V337 VanDerWaalsContact O-CB 3.25Å; F333-V337 WeakPolarHBondContact O-CB 3.28Å; F333-V337 PolarHBondContact O-N 2.8Å; V337-R339 PolarHBondContact O-N 3.46Å; V337-Q341 PolarHBondContact O-N 3.19Å
338L66.3Low63.4Low17 Ų1767.4 Ų67.49%0.08932%0.322CS..Iπ-helixtrans-69.7-25.1-167.4-58.7-178.4000114.9I245 R281 F333 A334 W342I245-L338 HydrophobicContact CD1-CB 4Å; I245-L338 HydrophobicContact CG2-CB 4.29Å; I245-L338 HydrophobicContact CG2-CD1 3.88Å; R281-L338 HydrophobicContact CB-CD1 4.14Å; F333-L338 HydrophobicContact CD1-CD1 4.07Å; F333-L338 HydrophobicContact CD1-CG 4Å; F333-L338 HydrophobicContact CE1-CD1 3.88Å; F333-L338 HydrophobicContact CE1-CD2 3.84Å; F333-L338 HydrophobicContact CE1-CG 3.7Å; F333-L338 HydrophobicContact CZ-CD2 4.37Å; F333-L338 PolarHBondContact O-N 3.06Å; A334-L338 CarbonylContact O-C 3.58Å; A334-L338 PolarHBondContact O-N 3.01Å; L338-W342 WeakPolarHBondContact O-CB 3.38Å
339R63.1Low62.7Low43 Ų4359.4 Ų59.416%0.16229%0.285CS..Iπ-helixtrans-95.1-63.5174.7-179.8172.8-71.3153.83.4111.1A240 V241 S243 I245 A334 F335 V337 W342 I343A240-R339 WeakPolarHBondContact O-CG 3.4Å; A240-R339 PolarHBondContact O-NE 3.16Å; V241-R339 WeakPolarHBondContact O-CD 3.26Å; V241-R339 PolarHBondContact O-NE 3.16Å; V241-R339 VanDerWaalsContact O-NE 3.14Å; S243-R339 PolarHBondContact O-NH2 3.29Å; I245-R339 HydrophobicContact CD1-CB 3.84Å; A334-R339 WeakPolarHBondContact O-CB 3.28Å; A334-R339 PolarHBondContact O-N 2.86Å; F335-R339 WeakPolarHBondContact O-CB 3.48Å; V337-R339 PolarHBondContact O-N 3.46Å; R339-W342 PolarHBondContact O-N 2.98Å; R339-I343 HydrophobicContact CG-CD1 3.67Å; R339-I343 WeakPolarHBondContact O-CD1 3.37Å; R339-I343 VanDerWaalsContact O-CG1 3.28Å; R339-I343 WeakPolarHBondContact O-CG1 3.45Å; R339-I343 PolarHBondContact O-N 3.41Å
340K57.5Low61.8Low53 Ų5356.5 Ų56.523%0.2327%0.274CS..Iπ-helixtrans-62.9-57.2-169.5178-179.4174.3-178.40113.9F335 E336 W342 I343 E344F335-K340 VanDerWaalsContact O-CB 3.24Å; F335-K340 WeakPolarHBondContact O-CB 3.46Å; F335-K340 PolarHBondContact O-N 3Å; E336-K340 IonicContact OE1-NZ 2.66Å; E336-K340 PolarHBondContact OE1-NZ 3.43Å; E336-K340 WeakPolarHBondContact OE2-CD 3.46Å; E336-K340 IonicContact OE2-NZ 2.74Å; E336-K340 PolarHBondContact OE2-NZ 3.25Å; K340-W342 PolarHBondContact O-N 2.87Å; K340-I343 PolarHBondContact O-N 3.08Å; K340-E344 WeakPolarHBondContact CG-OE1 3.26Å; K340-E344 WeakPolarHBondContact O-CB 3.39Å; K340-E344 WeakPolarHBondContact O-CG 3.22Å; K340-E344 PolarHBondContact O-N 2.97Å
341Q54.2Low60.5Low85 Ų8557.3 Ų57.340%0.39728%0.278SS..Iπ-helixtrans-62.6-29.8-179.1-66.6174.717.600112.2V337 A345V337-Q341 PolarHBondContact O-N 3.19Å; Q341-A345 VanDerWaalsContact O-CB 3.3Å; Q341-A345 WeakPolarHBondContact O-CB 3.46Å; Q341-A345 PolarHBondContact O-N 2.98Å
342W55.3Low59.9Low50 Ų5052.2 Ų52.219%0.18925%0.254CS..Hα-helixtrans-73.7-39178-78.477.5000113.1R282 P284 C291 L338 R339 K340 A345 G346 N347R282-W342 HydrophobicContact CB-CD2 4.49Å; R282-W342 VanDerWaalsContact O-CH2 3.26Å; R282-W342 WeakPolarHBondContact O-CH2 3.39Å; R282-W342 WeakPolarHBondContact O-CZ2 2.88Å; P284-W342 HydrophobicContact CB-CH2 3.9Å; P284-W342 HydrophobicContact CG-CH2 4.26Å; C291-W342 HydrophobicContact CB-CE3 3.96Å; C291-W342 HydrophobicContact CB-CZ3 3.68Å; L338-W342 WeakPolarHBondContact O-CB 3.38Å; R339-W342 PolarHBondContact O-N 2.98Å; K340-W342 PolarHBondContact O-N 2.87Å; W342-A345 PolarHBondContact O-N 3.12Å; W342-G346 PolarHBondContact O-N 3.4Å; W342-N347 HydrophobicContact CE3-CB 3.49Å; W342-N347 VanDerWaalsContact CE3-CB 3.49Å; W342-N347 VanDerWaalsContact CE3-ND2 3.29Å; W342-N347 HydrophobicContact CZ3-CB 3.91Å; W342-N347 WeakPolarHBondContact CZ3-ND2 3.49Å; W342-N347 PolarHBondContact O-N 2.97Å
343I52.7Low59.1Low35 Ų3549.7 Ų49.718%0.17924%0.242CC..Hα-helixtrans-65.6-42.5170.4-66.5160.4000110.6A240 V241 R339 K340 A345 G346A240-I343 HydrophobicContact CB-CD1 4.14Å; A240-I343 HydrophobicContact CB-CG1 3.7Å; V241-I343 HydrophobicContact CB-CD1 4.48Å; V241-I343 HydrophobicContact CG2-CD1 3.72Å; R339-I343 HydrophobicContact CG-CD1 3.67Å; R339-I343 WeakPolarHBondContact O-CD1 3.37Å; R339-I343 VanDerWaalsContact O-CG1 3.28Å; R339-I343 WeakPolarHBondContact O-CG1 3.45Å; R339-I343 PolarHBondContact O-N 3.41Å; K340-I343 PolarHBondContact O-N 3.08Å; I343-A345 VanDerWaalsContact C-N 3.31Å; I343-A345 PolarHBondContact O-N 3.46Å; I343-G346 WeakPolarHBondContact O-CA 3.5Å; I343-G346 PolarHBondContact O-N 2.97Å
344E50.2Low57.5Low116 Ų11647.3 Ų47.354%0.54223%0.234SC..Hα-helixtrans-63.3-35.3177-72.1170.8176.900112K340 G346K340-E344 WeakPolarHBondContact CG-OE1 3.26Å; K340-E344 WeakPolarHBondContact O-CB 3.39Å; K340-E344 WeakPolarHBondContact O-CG 3.22Å; K340-E344 PolarHBondContact O-N 2.97Å; E344-G346 PolarHBondContact O-N 3.34Å
345A51.6Low56.4Low56 Ų5652.1 Ų52.146%0.46325%0.252SS..THydrogen-bonded Turntrans-74.2-2.8170.900000114.1Q341 W342 I343 N347Q341-A345 VanDerWaalsContact O-CB 3.3Å; Q341-A345 WeakPolarHBondContact O-CB 3.46Å; Q341-A345 PolarHBondContact O-N 2.98Å; W342-A345 PolarHBondContact O-N 3.12Å; I343-A345 VanDerWaalsContact C-N 3.31Å; I343-A345 PolarHBondContact O-N 3.46Å; A345-N347 PolarHBondContact O-N 3.47Å
346G52.3Low55.7Low22 Ų2251.8 Ų51.823%0.22726%0.255CS..THydrogen-bonded Turntrans719.9-17900000115.1W342 I343 E344W342-G346 PolarHBondContact O-N 3.4Å; I343-G346 WeakPolarHBondContact O-CA 3.5Å; I343-G346 PolarHBondContact O-N 2.97Å; E344-G346 PolarHBondContact O-N 3.34Å
347N57.6Low55.6Low31 Ų3150.9 Ų50.917%0.16625%0.25CS..  trans-73.9144-178.9-70.7-30.8000111.2T289 W342 A345T289-N347 WeakPolarHBondContact CA-OD1 3.25Å; T289-N347 WeakPolarHBondContact O-CA 3.46Å; T289-N347 PolarHBondContact O-OD1 2.87Å; W342-N347 HydrophobicContact CE3-CB 3.49Å; W342-N347 VanDerWaalsContact CE3-CB 3.49Å; W342-N347 VanDerWaalsContact CE3-ND2 3.29Å; W342-N347 HydrophobicContact CZ3-CB 3.91Å; W342-N347 WeakPolarHBondContact CZ3-ND2 3.49Å; W342-N347 PolarHBondContact O-N 2.97Å; A345-N347 PolarHBondContact O-N 3.47Å
348R61.1Low54.8Low36 Ų3650.5 Ų50.514%0.13625%0.249CC..EExtended strand (participates in β ladder)trans-137.5160.6177.4-55.1-177.4-162.51465.7110.5T233 A290 C291 Y350 S613T233-R348 PolarHBondContact OG1-NH1 3.11Å; A290-R348 CarbonylContact C-O 3.52Å; A290-R348 WeakPolarHBondContact CA-O 3.38Å; C291-R348 PolarHBondContact N-O 3.02Å; C291-R348 PolarHBondContact SG-O 3.16Å; R348-Y350 PolarHBondContact O-N 3.25Å; R348-S613 PolarHBondContact NH1-O 3.11Å; R348-S613 PolarHBondContact NH2-O 3.45Å; R348-S613 PolarHBondContact NH2-OG 2.93Å
349S61.6Low54Low2 Ų251.4 Ų51.41%0.01425%0.253CS..EExtended strand (participates in β ladder)trans-51.6136.6170.8-179.10000110.8C291 D293 L351 Y352C291-S349 CarbonylContact O-C 3.55Å; C291-S349 WeakPolarHBondContact O-CA 3.34Å; D293-S349 VanDerWaalsContact CG-OG 3.26Å; D293-S349 WeakPolarHBondContact OD1-CB 3.42Å; D293-S349 PolarHBondContact OD1-OG 3.14Å; D293-S349 VanDerWaalsContact OD2-CB 3.25Å; D293-S349 WeakPolarHBondContact OD2-CB 3.25Å; D293-S349 PolarHBondContact OD2-OG 2.61Å; S349-L351 PolarHBondContact O-N 3.12Å; S349-L351 WeakPolarHBondContact OG-CB 3.27Å; S349-L351 PolarHBondContact OG-N 3Å; S349-Y352 PolarHBondContact O-N 3.21Å
350Y59.3Low54.1Low111 Ų11150.3 Ų50.344%0.43525%0.25SS..G310 helixtrans-50.7-28.2173.7168.7-95.9000112.7C291 R348 Y352 K353C291-Y350 PolarHBondContact O-N 2.83Å; R348-Y350 PolarHBondContact O-N 3.25Å; Y350-Y352 PolarHBondContact O-N 3.22Å; Y350-Y352 VanDerWaalsContact O-N 3.09Å; Y350-K353 HydrophobicContact CD2-CB 4.21Å; Y350-K353 HydrophobicContact CD2-CD 3.88Å; Y350-K353 HydrophobicContact CE2-CD 4.18Å; Y350-K353 VanDerWaalsContact O-CB 3.22Å; Y350-K353 WeakPolarHBondContact O-CB 3.45Å; Y350-K353 PolarHBondContact O-N 3.4Å
351L59Low54.4Low39 Ų3951.3 Ų51.320%0.20426%0.258CS..G310 helixtrans-49.5-33173.2-176.261.1000113.6F188 T313 L315 S349F188-L351 HydrophobicContact CE1-CD1 3.86Å; F188-L351 HydrophobicContact CE1-CG 4.48Å; F188-L351 HydrophobicContact CE2-CD1 4Å; F188-L351 HydrophobicContact CE2-CD2 4.13Å; F188-L351 HydrophobicContact CE2-CG 4.03Å; F188-L351 HydrophobicContact CZ-CD1 3.56Å; F188-L351 HydrophobicContact CZ-CD2 4.33Å; F188-L351 HydrophobicContact CZ-CG 3.72Å; T313-L351 HydrophobicContact CG2-CB 4.13Å; L315-L351 HydrophobicContact CB-CD2 3.68Å; L315-L351 HydrophobicContact CD2-CD1 4.49Å; L315-L351 HydrophobicContact CD2-CD2 4.09Å; L315-L351 HydrophobicContact CG-CD2 4.5Å; S349-L351 PolarHBondContact O-N 3.12Å; S349-L351 WeakPolarHBondContact OG-CB 3.27Å; S349-L351 PolarHBondContact OG-N 3Å
352Y56.4Low54.5Low10 Ų1050.3 Ų50.34%0.03926%0.26CS..G310 helixtrans-101.212.1-178-54-73.1000113.1N184 F188 L232 M235 D239 S349 Y350N184-Y352 PolarHBondContact OD1-OH 2.94Å; F188-Y352 HydrophobicContact CE2-CE1 4.47Å; L232-Y352 HydrophobicContact CB-CD1 4.22Å; L232-Y352 HydrophobicContact CD2-CD1 3.68Å; L232-Y352 HydrophobicContact CD2-CE1 4.24Å; L232-Y352 WeakPolarHBondContact O-CD1 3.44Å; M235-Y352 HydrophobicContact CB-CD1 4.12Å; M235-Y352 HydrophobicContact CB-CE1 3.49Å; M235-Y352 VanDerWaalsContact CB-CE1 3.49Å; D239-Y352 HydrophobicContact CB-CE2 3.93Å; S349-Y352 PolarHBondContact O-N 3.21Å; Y350-Y352 PolarHBondContact O-N 3.22Å; Y350-Y352 VanDerWaalsContact O-N 3.09Å
353K53.9Low54.9Low73 Ų7348.9 Ų48.932%0.31726%0.26SS..  trans-83.2141.5-177.8-166.5-179.2-175.4177.90112.1S288 A290 Y350S288-K353 PolarHBondContact OG-NZ 2.67Å; A290-K353 HydrophobicContact CB-CD 3.78Å; A290-K353 HydrophobicContact CB-CG 4.48Å; Y350-K353 HydrophobicContact CD2-CB 4.21Å; Y350-K353 HydrophobicContact CD2-CD 3.88Å; Y350-K353 HydrophobicContact CE2-CD 4.18Å; Y350-K353 VanDerWaalsContact O-CB 3.22Å; Y350-K353 WeakPolarHBondContact O-CB 3.45Å; Y350-K353 PolarHBondContact O-N 3.4Å
354T43Very low55.7Low30 Ų3048.5 Ų48.518%0.18426%0.257CS..  trans-75.8130-171.5530000113.7D229 L356 L616D229-T354 WeakPolarHBondContact OD1-CG2 3.45Å; T354-L356 PolarHBondContact O-N 2.81Å; T354-L616 WeakPolarHBondContact CB-O 3.49Å; T354-L616 VanDerWaalsContact OG1-CB 3.25Å; T354-L616 WeakPolarHBondContact OG1-CB 3.28Å
355K46.6Very low56.5Low110 Ų11046.7 Ų46.748%0.47826%0.256SS..Hα-helixtrans-62-45.9-156.8-157.5158.6-178.9168.20116Q357 Q359K355-Q357 PolarHBondContact O-N 2.75Å; K355-Q359 HydrophobicContact CG-CG 4.43Å; K355-Q359 VanDerWaalsContact O-CG 3.3Å; K355-Q359 WeakPolarHBondContact O-CG 3.42Å; K355-Q359 PolarHBondContact O-N 3.27Å; K355-Q359 VanDerWaalsContact O-N 3.16Å
356L49Very low57.2Low83 Ų8347.6 Ų47.644%0.43526%0.26SS..Hα-helixtrans-65.3-44.6-165.6-73172.3000115T354 S358 Q359 I360 M403T354-L356 PolarHBondContact O-N 2.81Å; L356-S358 VanDerWaalsContact C-N 3.34Å; L356-S358 PolarHBondContact O-N 2.97Å; L356-Q359 PolarHBondContact O-N 2.94Å; L356-I360 PolarHBondContact O-N 2.9Å; L356-M403 HydrophobicContact CB-CE 3.75Å; L356-M403 HydrophobicContact CB-SD 4.2Å; L356-M403 HydrophobicContact CD1-CE 4.43Å
357Q51.7Low58.4Low27 Ų2749.3 Ų49.313%0.12626%0.259CS..Hα-helixtrans-71.2-33.4-174.5-171.654.483.500112.1K355 N361 Y400 M403 L616K355-Q357 PolarHBondContact O-N 2.75Å; Q357-N361 PolarHBondContact O-N 3.04Å; Q357-Y400 HydrophobicContact CG-CE2 4.44Å; Q357-M403 HydrophobicContact CB-CE 4.29Å; Q357-L616 HydrophobicContact CB-CD1 4.44Å; Q357-L616 HydrophobicContact CB-CD2 4.09Å
358S48.5Very low59.3Low31 Ų3154.1 Ų54.122%0.21728%0.279CS..Hα-helixtrans-61.5-50.8169.8-162.60000110.1L356 I360 N361 S362L356-S358 VanDerWaalsContact C-N 3.34Å; L356-S358 PolarHBondContact O-N 2.97Å; S358-I360 PolarHBondContact O-N 3.45Å; S358-N361 CarbonylContact O-C 3.41Å; S358-N361 WeakPolarHBondContact O-CA 3.45Å; S358-N361 PolarHBondContact O-N 3.31Å; S358-S362 PolarHBondContact O-N 2.77Å; S358-S362 PolarHBondContact O-OG 3.34Å; S358-S362 VanDerWaalsContact O-OG 3.12Å
359Q50.8Low59.9Low36 Ų3654.4 Ų54.417%0.16829%0.293CS..Hα-helixtrans-58.5-38.4-179.2-73173-36.600114.2K355 L356 N361 S362 A363 L678K355-Q359 HydrophobicContact CG-CG 4.43Å; K355-Q359 VanDerWaalsContact O-CG 3.3Å; K355-Q359 WeakPolarHBondContact O-CG 3.42Å; K355-Q359 PolarHBondContact O-N 3.27Å; K355-Q359 VanDerWaalsContact O-N 3.16Å; L356-Q359 PolarHBondContact O-N 2.94Å; Q359-N361 VanDerWaalsContact C-N 3.31Å; Q359-N361 PolarHBondContact O-N 2.96Å; Q359-S362 PolarHBondContact O-N 3.45Å; Q359-A363 WeakPolarHBondContact O-CB 3.46Å; Q359-A363 PolarHBondContact O-N 2.9Å; Q359-L678 HydrophobicContact CB-CD1 4.13Å; Q359-L678 VanDerWaalsContact CD-CD1 3.47Å; Q359-L678 HydrophobicContact CG-CD1 4.11Å
360I64Low60.6Low20 Ų2056.5 Ų56.510%0.10331%0.306CS..Hα-helixtrans-62.4-40.6174.3-70.6172.4000110.9L356 S358 K364 L396 Y400 M403L356-I360 PolarHBondContact O-N 2.9Å; S358-I360 PolarHBondContact O-N 3.45Å; I360-K364 WeakPolarHBondContact O-CG 3.47Å; I360-K364 PolarHBondContact O-N 3.02Å; I360-L396 HydrophobicContact CG2-CB 4.46Å; I360-L396 WeakPolarHBondContact CG2-O 3.4Å; I360-Y400 HydrophobicContact CG2-CD2 4.49Å; I360-M403 HydrophobicContact CD1-SD 3.68Å
361N65Low61.4Low74 Ų7452.8 Ų52.840%0.39629%0.294SS..Hα-helixtrans-74-37.4178.4-73.8-4.1000112Q357 S358 Q359 K364 S365Q357-N361 PolarHBondContact O-N 3.04Å; S358-N361 CarbonylContact O-C 3.41Å; S358-N361 WeakPolarHBondContact O-CA 3.45Å; S358-N361 PolarHBondContact O-N 3.31Å; Q359-N361 VanDerWaalsContact C-N 3.31Å; Q359-N361 PolarHBondContact O-N 2.96Å; N361-K364 WeakPolarHBondContact O-CB 3.4Å; N361-K364 PolarHBondContact O-N 3Å; N361-S365 PolarHBondContact O-N 3.14Å
362S56.2Low62.4Low64 Ų6455.4 Ų55.445%0.44832%0.316SS..Hα-helixtrans-58.2-47.9169.7-51.40000111.1S358 Q359 K364 S365 S366S358-S362 PolarHBondContact O-N 2.77Å; S358-S362 PolarHBondContact O-OG 3.34Å; S358-S362 VanDerWaalsContact O-OG 3.12Å; Q359-S362 PolarHBondContact O-N 3.45Å; S362-K364 PolarHBondContact O-N 3.39Å; S362-S365 CarbonylContact O-C 3.36Å; S362-S365 WeakPolarHBondContact O-CA 3.36Å; S362-S365 VanDerWaalsContact O-CB 3.32Å; S362-S365 WeakPolarHBondContact O-CB 3.15Å; S362-S365 PolarHBondContact O-N 2.8Å; S362-S366 PolarHBondContact O-N 3.11Å; S362-S366 PolarHBondContact O-OG 2.94Å
363A62.7Low63.6Low21 Ų2157.5 Ų57.517%0.17433%0.332CS..Hα-helixtrans-62.6-40.4177.200000112.3Q359 S365 S366 W367 L396Q359-A363 WeakPolarHBondContact O-CB 3.46Å; Q359-A363 PolarHBondContact O-N 2.9Å; A363-S365 VanDerWaalsContact C-N 3.26Å; A363-S365 PolarHBondContact O-N 3.34Å; A363-S366 PolarHBondContact O-N 3.41Å; A363-W367 PolarHBondContact O-N 3.1Å; A363-L396 HydrophobicContact CB-CD1 3.97Å; A363-L396 HydrophobicContact CB-CD2 4.25Å
364K69.5Low64.9Low27 Ų2761.6 Ų61.612%0.11736%0.357CS..Hα-helixtrans-58.9-37.7170.6-75.7175.9-175.7-179.70111.7I360 N361 S362 K368 M393 L396 T397I360-K364 WeakPolarHBondContact O-CG 3.47Å; I360-K364 PolarHBondContact O-N 3.02Å; N361-K364 WeakPolarHBondContact O-CB 3.4Å; N361-K364 PolarHBondContact O-N 3Å; S362-K364 PolarHBondContact O-N 3.39Å; K364-K368 WeakPolarHBondContact O-CG 3.11Å; K364-K368 PolarHBondContact O-N 3.31Å; K364-K368 VanDerWaalsContact O-N 3.12Å; K364-M393 HydrophobicContact CB-CE 3.93Å; K364-M393 HydrophobicContact CB-SD 4.04Å; K364-M393 HydrophobicContact CG-CE 4.15Å; K364-M393 HydrophobicContact CG-SD 4.1Å; K364-M393 WeakPolarHBondContact O-CE 3.42Å; K364-L396 HydrophobicContact CG-CB 4.04Å; K364-L396 HydrophobicContact CG-CD1 4.12Å; K364-T397 WeakPolarHBondContact CE-OG1 3.33Å
365S66.7Low66.7Low77 Ų7763.1 Ų63.154%0.53838%0.379SS..Hα-helixtrans-69.6-47.4177.2-157.80000112N361 S362 A363 W367 K368 G369N361-S365 PolarHBondContact O-N 3.14Å; S362-S365 CarbonylContact O-C 3.36Å; S362-S365 WeakPolarHBondContact O-CA 3.36Å; S362-S365 VanDerWaalsContact O-CB 3.32Å; S362-S365 WeakPolarHBondContact O-CB 3.15Å; S362-S365 PolarHBondContact O-N 2.8Å; A363-S365 VanDerWaalsContact C-N 3.26Å; A363-S365 PolarHBondContact O-N 3.34Å; S365-W367 VanDerWaalsContact C-N 3.33Å; S365-W367 PolarHBondContact O-N 2.75Å; S365-K368 WeakPolarHBondContact O-CB 3.45Å; S365-K368 PolarHBondContact O-N 3.18Å; S365-K368 VanDerWaalsContact O-N 3.12Å; S365-G369 PolarHBondContact O-N 2.93Å
366S66.3Low68.2Low76 Ų7659.9 Ų59.953%0.53137%0.367SS..Hα-helixtrans-58-42.6175.9-54.20000112.4S362 A363 G369 V370S362-S366 PolarHBondContact O-N 3.11Å; S362-S366 PolarHBondContact O-OG 2.94Å; A363-S366 PolarHBondContact O-N 3.41Å; S366-G369 WeakPolarHBondContact O-CA 3.22Å; S366-G369 PolarHBondContact O-N 2.88Å; S366-G369 VanDerWaalsContact O-N 3.13Å; S366-V370 PolarHBondContact O-N 2.74Å
367W78.1Confident69.9Low58 Ų5860.8 Ų60.822%0.2238%0.38CS..Hα-helixtrans-67.6-34.6175.8-77.3122.7000113.5A363 S365 G369 V370 V371 I388 Q392 M393A363-W367 PolarHBondContact O-N 3.1Å; S365-W367 VanDerWaalsContact C-N 3.33Å; S365-W367 PolarHBondContact O-N 2.75Å; W367-G369 VanDerWaalsContact C-N 3.3Å; W367-V370 HydrophobicContact CE3-CB 4.25Å; W367-V370 HydrophobicContact CE3-CG1 4.46Å; W367-V370 HydrophobicContact CE3-CG2 4.25Å; W367-V370 HydrophobicContact CZ3-CG1 4.48Å; W367-V370 PolarHBondContact O-N 2.64Å; W367-V371 WeakPolarHBondContact O-CG2 3.41Å; W367-V371 PolarHBondContact O-N 3.27Å; W367-V371 VanDerWaalsContact O-N 3.07Å; W367-I388 HydrophobicContact CB-CG2 3.86Å; W367-I388 HydrophobicContact CD2-CG1 4.49Å; W367-I388 HydrophobicContact CD2-CG2 4.23Å; W367-I388 HydrophobicContact CE3-CD1 3.58Å; W367-I388 HydrophobicContact CE3-CG1 3.7Å; W367-I388 HydrophobicContact CE3-CG2 4.03Å; W367-I388 HydrophobicContact CG-CG2 4.2Å; W367-I388 HydrophobicContact CZ3-CD1 3.71Å; W367-I388 HydrophobicContact CZ3-CG1 3.86Å; W367-Q392 HydrophobicContact CZ2-CG 4.15Å; W367-M393 HydrophobicContact CB-CG 4.25Å; W367-M393 HydrophobicContact CB-SD 3.7Å
368K76.6Confident71.8Confident131 Ų13162 Ų6257%0.5740%0.399SS*.Hα-helixtrans-60.7-40.8167.7-75174.5176.4-176.10111.3K364 S365 V371 S372 M393K364-K368 WeakPolarHBondContact O-CG 3.11Å; K364-K368 PolarHBondContact O-N 3.31Å; K364-K368 VanDerWaalsContact O-N 3.12Å; S365-K368 WeakPolarHBondContact O-CB 3.45Å; S365-K368 PolarHBondContact O-N 3.18Å; S365-K368 VanDerWaalsContact O-N 3.12Å; K368-V371 PolarHBondContact O-N 2.95Å; K368-S372 VanDerWaalsContact O-CB 3.32Å; K368-S372 WeakPolarHBondContact O-CB 3.26Å; K368-S372 PolarHBondContact O-N 3.32Å; K368-S372 PolarHBondContact O-OG 3.44Å; K368-M393 HydrophobicContact CG-CE 3.94Å
369G72.8Confident73.7Confident42 Ų4264.4 Ų64.443%0.43342%0.416SS..Hα-helixtrans-60-44.917600000112.9S365 S366 W367 S372 S373S365-G369 PolarHBondContact O-N 2.93Å; S366-G369 WeakPolarHBondContact O-CA 3.22Å; S366-G369 PolarHBondContact O-N 2.88Å; S366-G369 VanDerWaalsContact O-N 3.13Å; W367-G369 VanDerWaalsContact C-N 3.3Å; G369-S372 PolarHBondContact O-N 3.45Å; G369-S373 WeakPolarHBondContact O-CB 3.49Å; G369-S373 PolarHBondContact O-N 3.17Å; G369-S373 VanDerWaalsContact O-N 3.1Å
370V76.2Confident75.4Confident47 Ų4764.8 Ų64.829%0.28542%0.421SS..Hα-helixtrans-61.4-46.4174.5175.30000111.6S366 W367 S372 S373 I388S366-V370 PolarHBondContact O-N 2.74Å; W367-V370 HydrophobicContact CE3-CB 4.25Å; W367-V370 HydrophobicContact CE3-CG1 4.46Å; W367-V370 HydrophobicContact CE3-CG2 4.25Å; W367-V370 HydrophobicContact CZ3-CG1 4.48Å; W367-V370 PolarHBondContact O-N 2.64Å; V370-S372 VanDerWaalsContact C-N 3.31Å; V370-S372 PolarHBondContact O-N 3Å; V370-S373 PolarHBondContact O-N 2.76Å; V370-I388 HydrophobicContact CB-CD1 4.42Å; V370-I388 HydrophobicContact CG1-CD1 3.77Å
371V76.2Confident76.7Confident32 Ų3265.2 Ų65.219%0.19442%0.423CS..Hα-helixtrans-64.2-35.7178.1169.40000112W367 K368 S373 K381 I388 N389W367-V371 WeakPolarHBondContact O-CG2 3.41Å; W367-V371 PolarHBondContact O-N 3.27Å; W367-V371 VanDerWaalsContact O-N 3.07Å; K368-V371 PolarHBondContact O-N 2.95Å; V371-S373 VanDerWaalsContact C-N 3.32Å; V371-K381 PolarHBondContact O-NZ 2.88Å; V371-I388 HydrophobicContact CG2-CB 3.92Å; V371-I388 HydrophobicContact CG2-CD1 4.02Å; V371-I388 HydrophobicContact CG2-CG2 3.6Å; V371-N389 WeakPolarHBondContact CG1-ND2 3.48Å
372S81.4Confident77.9Confident95 Ų9567.5 Ų67.566%0.66443%0.434SS*.THydrogen-bonded Turntrans-86.31.9-179.4-47.70000113.7K368 G369 V370K368-S372 VanDerWaalsContact O-CB 3.32Å; K368-S372 WeakPolarHBondContact O-CB 3.26Å; K368-S372 PolarHBondContact O-N 3.32Å; K368-S372 PolarHBondContact O-OG 3.44Å; G369-S372 PolarHBondContact O-N 3.45Å; V370-S372 VanDerWaalsContact C-N 3.31Å; V370-S372 PolarHBondContact O-N 3Å
373S80.4Confident79.4Confident54 Ų5464.5 Ų64.538%0.37841%0.413SS..  trans-88.4129.8-177.1-172.20000112.6G369 V370 V371 G375 K381G369-S373 WeakPolarHBondContact O-CB 3.49Å; G369-S373 PolarHBondContact O-N 3.17Å; G369-S373 VanDerWaalsContact O-N 3.1Å; V370-S373 PolarHBondContact O-N 2.76Å; V371-S373 VanDerWaalsContact C-N 3.32Å; S373-G375 PolarHBondContact O-N 2.66Å; S373-G375 PolarHBondContact OG-N 2.77Å; S373-G375 VanDerWaalsContact OG-N 3.14Å; S373-K381 WeakPolarHBondContact O-CE 3.35Å
374D81.7Confident80.5Confident158 Ų15863.7 Ų63.785%0.84541%0.406SS*.THydrogen-bonded Turntrans-74.9-2.5167.9-63.6-45000113.3L376D374-L376 PolarHBondContact O-N 3.36Å; D374-L376 VanDerWaalsContact O-N 3.11Å
375G81.3Confident81.4Confident63 Ų6363.6 Ų63.665%0.64941%0.406SS*.THydrogen-bonded Turntrans-66.6-6.6176.700000114.6S373S373-G375 PolarHBondContact O-N 2.66Å; S373-G375 PolarHBondContact OG-N 2.77Å; S373-G375 VanDerWaalsContact OG-N 3.14Å
376L76.5Confident82.7Confident42 Ų4260.7 Ų60.722%0.2239%0.387CS..SBendtrans-130154.4171.3-64.1175000109.1D374 K381 I384 A661D374-L376 PolarHBondContact O-N 3.36Å; D374-L376 VanDerWaalsContact O-N 3.11Å; L376-K381 HydrophobicContact CB-CB 4.06Å; L376-K381 HydrophobicContact CB-CD 4.05Å; L376-K381 HydrophobicContact CB-CG 4.35Å; L376-K381 WeakPolarHBondContact O-CD 3.11Å; L376-I384 HydrophobicContact CD1-CD1 4.23Å; L376-A661 HydrophobicContact CD2-CB 4.47Å
377S84.8Confident83.9Confident102 Ų10257.2 Ų57.271%0.71336%0.363SS*.  trans-152.7174.8177.265.60000112.8
378G91.6Very high84.4Confident51 Ų5154.5 Ų54.553%0.52635%0.352SS..Hα-helixtrans69.1-167177.800000115.1V380 K381 L382G378-V380 PolarHBondContact O-N 2.59Å; G378-V380 VanDerWaalsContact O-N 3.16Å; G378-K381 PolarHBondContact O-N 3.16Å; G378-L382 PolarHBondContact O-N 3.25Å; G378-L382 VanDerWaalsContact O-N 3.15Å
379S88.6Confident85.2Confident82 Ų8250.9 Ų50.957%0.57334%0.34SS*.Hα-helixtrans-60.7-27.4-172.2-47.50000114.3L382 A383S379-L382 PolarHBondContact O-N 3.31Å; S379-A383 PolarHBondContact O-N 2.75Å; S379-A383 VanDerWaalsContact O-N 3.12Å
380V87.8Confident86.3Confident45 Ų4549.3 Ų49.327%0.27332%0.321SS..Hα-helixtrans-70.3-42.8175.8177.80000110.6G378 A383 I384 T530G378-V380 PolarHBondContact O-N 2.59Å; G378-V380 VanDerWaalsContact O-N 3.16Å; V380-A383 PolarHBondContact O-N 2.76Å; V380-I384 HydrophobicContact CG1-CD1 3.76Å; V380-I384 HydrophobicContact CG1-CG1 4.48Å; V380-I384 WeakPolarHBondContact O-CG1 3.39Å; V380-I384 PolarHBondContact O-N 3.26Å; V380-T530 HydrophobicContact CG2-CG2 4.03Å
381K89.4Confident87Confident29 Ų2947.2 Ų47.213%0.12631%0.308CS..Hα-helixtrans-59-47.5171.1173162.3173.659.20111.1V371 S373 L376 G378 A383 I384 D385V371-K381 PolarHBondContact O-NZ 2.88Å; S373-K381 WeakPolarHBondContact O-CE 3.35Å; L376-K381 HydrophobicContact CB-CB 4.06Å; L376-K381 HydrophobicContact CB-CD 4.05Å; L376-K381 HydrophobicContact CB-CG 4.35Å; L376-K381 WeakPolarHBondContact O-CD 3.11Å; G378-K381 PolarHBondContact O-N 3.16Å; K381-A383 PolarHBondContact O-N 3.41Å; K381-I384 PolarHBondContact O-N 3.01Å; K381-I384 VanDerWaalsContact O-N 3.16Å; K381-D385 WeakPolarHBondContact CE-OD2 3.21Å; K381-D385 WeakPolarHBondContact CG-OD2 3.21Å; K381-D385 VanDerWaalsContact NZ-CG 3.25Å; K381-D385 IonicContact NZ-OD1 2.68Å; K381-D385 PolarHBondContact NZ-OD1 2.88Å; K381-D385 IonicContact NZ-OD2 3.34Å; K381-D385 PolarHBondContact NZ-OD2 3.47Å; K381-D385 WeakPolarHBondContact O-CB 3.19Å; K381-D385 VanDerWaalsContact O-CG 3.24Å; K381-D385 PolarHBondContact O-N 3.49Å
382L90.2Very high87.5Confident122 Ų12246.3 Ų46.364%0.63930%0.302SS*.Hα-helixtrans-58.2-35.4179.7-64.8177.2000113G378 S379 A386G378-L382 PolarHBondContact O-N 3.25Å; G378-L382 VanDerWaalsContact O-N 3.15Å; S379-L382 PolarHBondContact O-N 3.31Å; L382-A386 VanDerWaalsContact O-CB 3.23Å; L382-A386 WeakPolarHBondContact O-CB 3.18Å; L382-A386 PolarHBondContact O-N 2.94Å; L382-A386 VanDerWaalsContact O-N 3.08Å
383A88.6Confident87.7Confident1 Ų143.3 Ų43.31%0.00828%0.277CS..Hα-helixtrans-74.6-41.517600000113.2S379 V380 K381 A386 E387 Y529 L535S379-A383 PolarHBondContact O-N 2.75Å; S379-A383 VanDerWaalsContact O-N 3.12Å; V380-A383 PolarHBondContact O-N 2.76Å; K381-A383 PolarHBondContact O-N 3.41Å; A383-A386 PolarHBondContact O-N 2.86Å; A383-E387 PolarHBondContact O-N 3.47Å; A383-Y529 HydrophobicContact CB-CD1 4.18Å; A383-Y529 VanDerWaalsContact CB-O 3.26Å; A383-Y529 WeakPolarHBondContact CB-O 3.39Å; A383-L535 HydrophobicContact CB-CD2 3.82Å
384I85.1Confident88.2Confident4 Ų441.1 Ų41.12%0.02126%0.262CS..Hα-helixtrans-63.7-48.3174.7-70.4166000110.3L376 V380 K381 A386 E387 I388 Y529 L659L376-I384 HydrophobicContact CD1-CD1 4.23Å; V380-I384 HydrophobicContact CG1-CD1 3.76Å; V380-I384 HydrophobicContact CG1-CG1 4.48Å; V380-I384 WeakPolarHBondContact O-CG1 3.39Å; V380-I384 PolarHBondContact O-N 3.26Å; K381-I384 PolarHBondContact O-N 3.01Å; K381-I384 VanDerWaalsContact O-N 3.16Å; I384-A386 VanDerWaalsContact C-N 3.27Å; I384-A386 PolarHBondContact O-N 3.24Å; I384-E387 PolarHBondContact O-N 3.15Å; I384-I388 HydrophobicContact CG2-CD1 3.55Å; I384-I388 HydrophobicContact CG2-CG1 4.38Å; I384-I388 VanDerWaalsContact O-CG1 3.3Å; I384-I388 WeakPolarHBondContact O-CG1 3.45Å; I384-I388 PolarHBondContact O-N 3.3Å; I384-Y529 HydrophobicContact CG1-CD1 3.74Å; I384-Y529 HydrophobicContact CG1-CD2 4.29Å; I384-Y529 HydrophobicContact CG1-CE1 3.67Å; I384-Y529 HydrophobicContact CG1-CE2 4.21Å; I384-Y529 HydrophobicContact CG1-CG 4.08Å; I384-L659 HydrophobicContact CD1-CD2 4.06Å; I384-L659 HydrophobicContact CG1-CD2 4.28Å
385D90.1Very high88.5Confident24 Ų2433.6 Ų33.613%0.12822%0.222CC..Hα-helixtrans-59.2-39.8176.2-70.2-18.2000110.8K381 N389K381-D385 WeakPolarHBondContact CE-OD2 3.21Å; K381-D385 WeakPolarHBondContact CG-OD2 3.21Å; K381-D385 VanDerWaalsContact NZ-CG 3.25Å; K381-D385 IonicContact NZ-OD1 2.68Å; K381-D385 PolarHBondContact NZ-OD1 2.88Å; K381-D385 IonicContact NZ-OD2 3.34Å; K381-D385 PolarHBondContact NZ-OD2 3.47Å; K381-D385 WeakPolarHBondContact O-CB 3.19Å; K381-D385 VanDerWaalsContact O-CG 3.24Å; K381-D385 PolarHBondContact O-N 3.49Å; D385-N389 WeakPolarHBondContact O-CB 3.17Å; D385-N389 PolarHBondContact O-N 3.49Å; D385-N389 PolarHBondContact O-ND2 3.15Å
386A93.4Very high88.5Confident17 Ų1731.7 Ų31.714%0.1420%0.196CC..Hα-helixtrans-64.7-48175.800000112.1L382 A383 I384 N389 N390 Y538 Q539L382-A386 VanDerWaalsContact O-CB 3.23Å; L382-A386 WeakPolarHBondContact O-CB 3.18Å; L382-A386 PolarHBondContact O-N 2.94Å; L382-A386 VanDerWaalsContact O-N 3.08Å; A383-A386 PolarHBondContact O-N 2.86Å; I384-A386 VanDerWaalsContact C-N 3.27Å; I384-A386 PolarHBondContact O-N 3.24Å; A386-N389 PolarHBondContact O-N 2.92Å; A386-N390 WeakPolarHBondContact O-CB 3.46Å; A386-N390 VanDerWaalsContact O-CG 3.24Å; A386-N390 PolarHBondContact O-N 3.43Å; A386-N390 PolarHBondContact O-ND2 2.88Å; A386-N390 VanDerWaalsContact O-ND2 3.13Å; A386-Y538 CarbonylContact C-O 3.54Å; A386-Y538 WeakPolarHBondContact CB-O 3.08Å; A386-Q539 HydrophobicContact CB-CG 4.43Å
387E91.8Very high88.9Confident2 Ų230.6 Ų30.61%0.00919%0.192CC..Hα-helixtrans-57.8-53.6175.8-161-164.1-152.500110.2A383 I384 N389 N390 Y391 Q392 L521 Y538 K657A383-E387 PolarHBondContact O-N 3.47Å; I384-E387 PolarHBondContact O-N 3.15Å; E387-N389 VanDerWaalsContact C-N 3.34Å; E387-N389 PolarHBondContact O-N 2.93Å; E387-N390 PolarHBondContact O-N 3.27Å; E387-Y391 WeakPolarHBondContact O-CA 3.29Å; E387-Y391 WeakPolarHBondContact O-CB 3.21Å; E387-Y391 PolarHBondContact O-N 2.63Å; E387-Q392 VanDerWaalsContact C-OE1 3.26Å; E387-Q392 PolarHBondContact O-N 2.95Å; E387-Q392 PolarHBondContact O-OE1 2.85Å; E387-Q392 PolarHBondContact OE2-NE2 3.39Å; E387-L521 HydrophobicContact CG-CD2 4.1Å; E387-Y538 HydrophobicContact CB-CD1 3.91Å; E387-Y538 HydrophobicContact CB-CD2 4.32Å; E387-Y538 HydrophobicContact CB-CE1 4.38Å; E387-Y538 HydrophobicContact CB-CG 3.86Å; E387-Y538 HydrophobicContact CG-CD1 3.52Å; E387-Y538 HydrophobicContact CG-CE1 3.71Å; E387-Y538 HydrophobicContact CG-CG 4.03Å; E387-Y538 VanDerWaalsContact OE1-CE1 3.27Å; E387-Y538 WeakPolarHBondContact OE1-CE1 3.48Å; E387-K657 IonicContact OE1-NZ 2.63Å; E387-K657 PolarHBondContact OE1-NZ 2.83Å; E387-K657 IonicContact OE2-NZ 3.43Å; E387-K657 PolarHBondContact OE2-NZ 3.34Å
388I87.8Confident88.9Confident1 Ų125.8 Ų25.81%0.00516%0.158CC..Iπ-helixtrans-57.7-46.9-178.2-64.1162.6000111.4W367 V370 V371 I384 Q392 M393W367-I388 HydrophobicContact CB-CG2 3.86Å; W367-I388 HydrophobicContact CD2-CG1 4.49Å; W367-I388 HydrophobicContact CD2-CG2 4.23Å; W367-I388 HydrophobicContact CE3-CD1 3.58Å; W367-I388 HydrophobicContact CE3-CG1 3.7Å; W367-I388 HydrophobicContact CE3-CG2 4.03Å; W367-I388 HydrophobicContact CG-CG2 4.2Å; W367-I388 HydrophobicContact CZ3-CD1 3.71Å; W367-I388 HydrophobicContact CZ3-CG1 3.86Å; V370-I388 HydrophobicContact CB-CD1 4.42Å; V370-I388 HydrophobicContact CG1-CD1 3.77Å; V371-I388 HydrophobicContact CG2-CB 3.92Å; V371-I388 HydrophobicContact CG2-CD1 4.02Å; V371-I388 HydrophobicContact CG2-CG2 3.6Å; I384-I388 HydrophobicContact CG2-CD1 3.55Å; I384-I388 HydrophobicContact CG2-CG1 4.38Å; I384-I388 VanDerWaalsContact O-CG1 3.3Å; I384-I388 WeakPolarHBondContact O-CG1 3.45Å; I384-I388 PolarHBondContact O-N 3.3Å; I388-Q392 HydrophobicContact CG2-CB 4.43Å; I388-Q392 PolarHBondContact O-N 3.05Å; I388-M393 HydrophobicContact CG2-CG 3.94Å; I388-M393 WeakPolarHBondContact O-CB 3.22Å; I388-M393 WeakPolarHBondContact O-CG 3.49Å; I388-M393 PolarHBondContact O-N 3.44Å
389N93.6Very high88.2Confident56 Ų5623.9 Ų23.930%0.29914%0.135SC..Iπ-helixtrans-73.1-28-176.2-84.6-76.4000114V371 D385 A386 E387 K544V371-N389 WeakPolarHBondContact CG1-ND2 3.48Å; D385-N389 WeakPolarHBondContact O-CB 3.17Å; D385-N389 PolarHBondContact O-N 3.49Å; D385-N389 PolarHBondContact O-ND2 3.15Å; A386-N389 PolarHBondContact O-N 2.92Å; E387-N389 VanDerWaalsContact C-N 3.34Å; E387-N389 PolarHBondContact O-N 2.93Å; N389-K544 VanDerWaalsContact O-CD 3.27Å; N389-K544 WeakPolarHBondContact O-CD 3.08Å; N389-K544 WeakPolarHBondContact O-CE 3.38Å; N389-K544 PolarHBondContact O-NZ 2.84Å
390N95.5Very high87.5Confident8 Ų821.7 Ų21.74%0.04311%0.114CC..Iπ-helixtrans-101.7-22.5-175-61-30.4000113A386 E387 P394 Y538 F543A386-N390 WeakPolarHBondContact O-CB 3.46Å; A386-N390 VanDerWaalsContact O-CG 3.24Å; A386-N390 PolarHBondContact O-N 3.43Å; A386-N390 PolarHBondContact O-ND2 2.88Å; A386-N390 VanDerWaalsContact O-ND2 3.13Å; E387-N390 PolarHBondContact O-N 3.27Å; N390-P394 WeakPolarHBondContact O-CG 3.25Å; N390-Y538 PolarHBondContact ND2-O 3.15Å; N390-F543 WeakPolarHBondContact O-CD1 3.19Å
391Y91.3Very high87.1Confident4 Ų419.5 Ų19.52%0.01610%0.101CC..Iπ-helixtrans-124.6-65.8-175.5-71.2-95000113.9E387 M393 P394 L395 Q517 L521 I537 F543E387-Y391 WeakPolarHBondContact O-CA 3.29Å; E387-Y391 WeakPolarHBondContact O-CB 3.21Å; E387-Y391 PolarHBondContact O-N 2.63Å; Y391-M393 PolarHBondContact O-N 3.09Å; Y391-P394 WeakPolarHBondContact O-CD 3.38Å; Y391-L395 VanDerWaalsContact O-CB 3.24Å; Y391-L395 WeakPolarHBondContact O-CB 3.24Å; Y391-L395 WeakPolarHBondContact O-CD1 3.44Å; Y391-L395 VanDerWaalsContact O-CG 3.27Å; Y391-L395 WeakPolarHBondContact O-CG 3.42Å; Y391-L395 PolarHBondContact O-N 3.06Å; Y391-Q517 HydrophobicContact CD1-CB 4.27Å; Y391-Q517 HydrophobicContact CE1-CB 4.23Å; Y391-L521 HydrophobicContact CD1-CD1 3.9Å; Y391-L521 HydrophobicContact CD1-CD2 3.68Å; Y391-L521 HydrophobicContact CD1-CG 3.83Å; Y391-L521 HydrophobicContact CD2-CD2 4.2Å; Y391-L521 HydrophobicContact CE1-CD2 4.09Å; Y391-L521 HydrophobicContact CE1-CG 4.32Å; Y391-L521 HydrophobicContact CG-CD1 4.2Å; Y391-L521 HydrophobicContact CG-CD2 3.73Å; Y391-L521 HydrophobicContact CG-CG 4.28Å; Y391-I537 HydrophobicContact CE2-CG2 4.36Å; Y391-I537 WeakPolarHBondContact CE2-O 3.34Å; Y391-I537 PolarHBondContact OH-O 3.35Å; Y391-F543 HydrophobicContact CD1-CD1 4.31Å
392Q85.5Confident86.3Confident12 Ų1218.1 Ų18.16%0.05610%0.095CC..Iπ-helixtrans-57.2-50.5-173.9-7676.9-38.600111.5W367 E387 I388 L395 L396W367-Q392 HydrophobicContact CZ2-CG 4.15Å; E387-Q392 VanDerWaalsContact C-OE1 3.26Å; E387-Q392 PolarHBondContact O-N 2.95Å; E387-Q392 PolarHBondContact O-OE1 2.85Å; E387-Q392 PolarHBondContact OE2-NE2 3.39Å; I388-Q392 HydrophobicContact CG2-CB 4.43Å; I388-Q392 PolarHBondContact O-N 3.05Å; Q392-L395 PolarHBondContact O-N 3.31Å; Q392-L396 WeakPolarHBondContact O-CG 3.32Å; Q392-L396 PolarHBondContact O-N 2.78Å
393M86.3Confident85.2Confident32 Ų3213.4 Ų13.416%0.1587%0.07CC..Hα-helixtrans-66.6-44.5-178.3-72.1-69.5-74.900112.7K364 W367 K368 I388 Y391 T397K364-M393 HydrophobicContact CB-CE 3.93Å; K364-M393 HydrophobicContact CB-SD 4.04Å; K364-M393 HydrophobicContact CG-CE 4.15Å; K364-M393 HydrophobicContact CG-SD 4.1Å; K364-M393 WeakPolarHBondContact O-CE 3.42Å; W367-M393 HydrophobicContact CB-CG 4.25Å; W367-M393 HydrophobicContact CB-SD 3.7Å; K368-M393 HydrophobicContact CG-CE 3.94Å; I388-M393 HydrophobicContact CG2-CG 3.94Å; I388-M393 WeakPolarHBondContact O-CB 3.22Å; I388-M393 WeakPolarHBondContact O-CG 3.49Å; I388-M393 PolarHBondContact O-N 3.44Å; Y391-M393 PolarHBondContact O-N 3.09Å; M393-T397 WeakPolarHBondContact O-CB 3.39Å; M393-T397 PolarHBondContact O-N 3.13Å; M393-T397 PolarHBondContact O-OG1 3.36Å
394P91.7Very high84.3Confident8 Ų814.6 Ų14.65%0.0528%0.076CC..Hα-helixtrans-64.8-32.2169.3-29.940.9000114.9N390 Y391 T397 N398 F543 K544 V547N390-P394 WeakPolarHBondContact O-CG 3.25Å; Y391-P394 WeakPolarHBondContact O-CD 3.38Å; P394-T397 PolarHBondContact O-N 2.97Å; P394-N398 PolarHBondContact O-N 3.19Å; P394-F543 HydrophobicContact CB-CD1 3.99Å; P394-F543 HydrophobicContact CB-CE1 3.54Å; P394-F543 HydrophobicContact CB-CZ 4.22Å; P394-K544 HydrophobicContact CG-CB 3.88Å; P394-K544 HydrophobicContact CG-CG 3.85Å; P394-V547 HydrophobicContact CB-CB 3.99Å; P394-V547 HydrophobicContact CB-CG1 4.14Å; P394-V547 HydrophobicContact CB-CG2 3.91Å
395L86.7Confident83.6Confident0 Ų016.9 Ų16.90%09%0.086CC..Hα-helixtrans-68.8-44.3176.2-77.9156.5000111.2Y391 Q392 T397 N398 Y399 Q514 Q517 I518 L521 F543 F654Y391-L395 VanDerWaalsContact O-CB 3.24Å; Y391-L395 WeakPolarHBondContact O-CB 3.24Å; Y391-L395 WeakPolarHBondContact O-CD1 3.44Å; Y391-L395 VanDerWaalsContact O-CG 3.27Å; Y391-L395 WeakPolarHBondContact O-CG 3.42Å; Y391-L395 PolarHBondContact O-N 3.06Å; Q392-L395 PolarHBondContact O-N 3.31Å; L395-T397 PolarHBondContact O-N 3.28Å; L395-N398 PolarHBondContact O-N 3.33Å; L395-Y399 WeakPolarHBondContact O-CD2 3.37Å; L395-Y399 PolarHBondContact O-N 3.13Å; L395-Q514 HydrophobicContact CD2-CB 3.86Å; L395-Q514 HydrophobicContact CD2-CG 3.82Å; L395-Q514 PolarHBondContact O-NE2 3.47Å; L395-Q514 VanDerWaalsContact O-NE2 3.16Å; L395-Q517 HydrophobicContact CD2-CB 4.45Å; L395-I518 HydrophobicContact CD1-CG1 4.43Å; L395-I518 HydrophobicContact CD2-CD1 4.49Å; L395-I518 HydrophobicContact CD2-CG1 4.36Å; L395-L521 HydrophobicContact CD1-CD1 4.06Å; L395-F543 HydrophobicContact CD1-CE1 4.37Å; L395-F543 HydrophobicContact CD2-CE1 4.01Å; L395-F543 HydrophobicContact CD2-CZ 3.75Å; L395-F543 HydrophobicContact CG-CE1 3.68Å; L395-F543 HydrophobicContact CG-CZ 3.91Å; L395-F654 HydrophobicContact CB-CE1 3.4Å; L395-F654 HydrophobicContact CB-CZ 3.57Å; L395-F654 HydrophobicContact CD1-CE1 3.4Å; L395-F654 HydrophobicContact CD1-CZ 3.6Å; L395-F654 HydrophobicContact CD2-CZ 4.05Å; L395-F654 HydrophobicContact CG-CE1 3.84Å; L395-F654 HydrophobicContact CG-CZ 3.85Å
396L81.7Confident82.5Confident23 Ų2317.3 Ų17.312%0.129%0.088CC..Hα-helixtrans-59.8-33.9169.6-73.6172.6000112.6I360 A363 K364 Q392 Y399 Y400I360-L396 HydrophobicContact CG2-CB 4.46Å; I360-L396 WeakPolarHBondContact CG2-O 3.4Å; A363-L396 HydrophobicContact CB-CD1 3.97Å; A363-L396 HydrophobicContact CB-CD2 4.25Å; K364-L396 HydrophobicContact CG-CB 4.04Å; K364-L396 HydrophobicContact CG-CD1 4.12Å; Q392-L396 WeakPolarHBondContact O-CG 3.32Å; Q392-L396 PolarHBondContact O-N 2.78Å; L396-Y399 PolarHBondContact O-N 2.71Å; L396-Y400 PolarHBondContact O-N 3.38Å
397T84.5Confident80.9Confident20 Ų2018.4 Ų18.412%0.12310%0.095CC..Hα-helixtrans-73.8-39.2176.6-55.40000111.8K364 M393 P394 L395 Y399 Y400 D401 V547 H551K364-T397 WeakPolarHBondContact CE-OG1 3.33Å; M393-T397 WeakPolarHBondContact O-CB 3.39Å; M393-T397 PolarHBondContact O-N 3.13Å; M393-T397 PolarHBondContact O-OG1 3.36Å; P394-T397 PolarHBondContact O-N 2.97Å; L395-T397 PolarHBondContact O-N 3.28Å; T397-Y399 VanDerWaalsContact C-N 3.28Å; T397-Y399 PolarHBondContact O-N 2.92Å; T397-Y400 VanDerWaalsContact O-CB 3.3Å; T397-Y400 WeakPolarHBondContact O-CB 3.4Å; T397-Y400 PolarHBondContact O-N 2.79Å; T397-D401 PolarHBondContact O-N 2.9Å; T397-V547 HydrophobicContact CG2-CG1 3.78Å; T397-H551 HydrophobicContact CG2-CB 3.81Å; T397-H551 VanDerWaalsContact CG2-CG 3.45Å
398N85.3Confident79.8Confident0 Ų020 Ų200%011%0.105CC..Hα-helixtrans-65.8-27.7170.1-100.49.7000112.9P394 L395 A402 I510 Q513 Q514 V547 Q550P394-N398 PolarHBondContact O-N 3.19Å; L395-N398 PolarHBondContact O-N 3.33Å; N398-A402 VanDerWaalsContact O-CB 3.28Å; N398-A402 WeakPolarHBondContact O-CB 3.39Å; N398-A402 PolarHBondContact O-N 3.22Å; N398-I510 HydrophobicContact CB-CG2 3.84Å; N398-I510 WeakPolarHBondContact O-CG2 3.5Å; N398-Q513 PolarHBondContact ND2-OE1 3.09Å; N398-Q514 HydrophobicContact CB-CG 3.92Å; N398-V547 WeakPolarHBondContact OD1-CG2 3.44Å; N398-Q550 PolarHBondContact OD1-NE2 3.39Å
399Y76.4Confident78.9Confident11 Ų1122 Ų224%0.04311%0.114CC..Hα-helixtrans-72-39.2171.7-72.6-56.9000112.4L395 L396 T397 A402 M403 Q514 I647 F654L395-Y399 WeakPolarHBondContact O-CD2 3.37Å; L395-Y399 PolarHBondContact O-N 3.13Å; L396-Y399 PolarHBondContact O-N 2.71Å; T397-Y399 VanDerWaalsContact C-N 3.28Å; T397-Y399 PolarHBondContact O-N 2.92Å; Y399-A402 PolarHBondContact O-N 3.2Å; Y399-M403 WeakPolarHBondContact O-CG 3.27Å; Y399-M403 PolarHBondContact O-N 3.39Å; Y399-M403 VanDerWaalsContact O-N 3.11Å; Y399-Q514 VanDerWaalsContact CE1-CD 3.49Å; Y399-Q514 VanDerWaalsContact CZ-NE2 3.35Å; Y399-I647 HydrophobicContact CD1-CD1 4.3Å; Y399-I647 HydrophobicContact CD1-CG1 3.65Å; Y399-I647 HydrophobicContact CE1-CG1 3.62Å; Y399-F654 AromaticContact CE2-CE2 3.78Å; Y399-F654 HydrophobicContact CE2-CE2 3.78Å; Y399-F654 AromaticContact CE2-CZ 3.98Å; Y399-F654 HydrophobicContact CE2-CZ 3.98Å
400Y73.7Confident77.4Confident36 Ų3621.4 Ų21.414%0.14111%0.109CC..Hα-helixtrans-54.5-55.5167.8-172-64.9000110Q357 I360 L396 T397 A402 M403 H404 V554 E558Q357-Y400 HydrophobicContact CG-CE2 4.44Å; I360-Y400 HydrophobicContact CG2-CD2 4.49Å; L396-Y400 PolarHBondContact O-N 3.38Å; T397-Y400 VanDerWaalsContact O-CB 3.3Å; T397-Y400 WeakPolarHBondContact O-CB 3.4Å; T397-Y400 PolarHBondContact O-N 2.79Å; Y400-A402 VanDerWaalsContact C-N 3.33Å; Y400-A402 PolarHBondContact O-N 2.88Å; Y400-M403 PolarHBondContact O-N 2.9Å; Y400-M403 VanDerWaalsContact O-N 3.14Å; Y400-H404 PolarHBondContact O-N 2.61Å; Y400-V554 HydrophobicContact CE1-CG1 4.15Å; Y400-E558 WeakPolarHBondContact CE1-OE1 3.42Å; Y400-E558 PolarHBondContact OH-OE1 3.05Å
401D79.6Confident75.8Confident0 Ų024.9 Ų24.90%013%0.131CC..Hα-helixtrans-59.7-40.2-179.4-72.15.2000112.2T397 M403 H404 Q405 I510 Q550 H551 V554T397-D401 PolarHBondContact O-N 2.9Å; D401-M403 VanDerWaalsContact C-N 3.34Å; D401-M403 PolarHBondContact O-N 2.88Å; D401-H404 PolarHBondContact O-N 3.48Å; D401-Q405 VanDerWaalsContact O-CB 3.3Å; D401-Q405 WeakPolarHBondContact O-CB 3.33Å; D401-Q405 WeakPolarHBondContact O-CG 3.4Å; D401-Q405 PolarHBondContact O-N 3.43Å; D401-I510 HydrophobicContact CB-CD1 4.35Å; D401-Q550 PolarHBondContact OD2-NE2 2.87Å; D401-H551 IonicContact OD1-CE1 2.71Å; D401-H551 IonicContact OD1-CG 3.15Å; D401-H551 IonicContact OD1-ND1 2.72Å; D401-H551 PolarHBondContact OD1-ND1 3.4Å; D401-H551 WeakPolarHBondContact OD2-CA 3.49Å; D401-H551 PolarHBondContact OD2-N 2.84Å; D401-V554 HydrophobicContact CB-CG2 4.36Å
402A73.4Confident75Confident0 Ų029.5 Ų29.50%015%0.151CC..Hα-helixtrans-64.2-37.1177.500000112.8N398 Y399 Y400 L406 I510 L643N398-A402 VanDerWaalsContact O-CB 3.28Å; N398-A402 WeakPolarHBondContact O-CB 3.39Å; N398-A402 PolarHBondContact O-N 3.22Å; Y399-A402 PolarHBondContact O-N 3.2Å; Y400-A402 VanDerWaalsContact C-N 3.33Å; Y400-A402 PolarHBondContact O-N 2.88Å; A402-L406 WeakPolarHBondContact O-CB 3.39Å; A402-L406 PolarHBondContact O-N 3.1Å; A402-L406 VanDerWaalsContact O-N 3.09Å; A402-I510 HydrophobicContact CB-CD1 4.47Å; A402-I510 HydrophobicContact CB-CG2 4.07Å; A402-L643 HydrophobicContact CB-CD1 4.02Å
403M66.2Low74.4Confident23 Ų2330.9 Ų30.911%0.11316%0.164CC..Hα-helixtrans-70.4-44.1173.8-73.4-179.756.100111.6L356 Q357 I360 Y399 Y400 D401 L406 S407 L616L356-M403 HydrophobicContact CB-CE 3.75Å; L356-M403 HydrophobicContact CB-SD 4.2Å; L356-M403 HydrophobicContact CD1-CE 4.43Å; Q357-M403 HydrophobicContact CB-CE 4.29Å; I360-M403 HydrophobicContact CD1-SD 3.68Å; Y399-M403 WeakPolarHBondContact O-CG 3.27Å; Y399-M403 PolarHBondContact O-N 3.39Å; Y399-M403 VanDerWaalsContact O-N 3.11Å; Y400-M403 PolarHBondContact O-N 2.9Å; Y400-M403 VanDerWaalsContact O-N 3.14Å; D401-M403 VanDerWaalsContact C-N 3.34Å; D401-M403 PolarHBondContact O-N 2.88Å; M403-L406 PolarHBondContact O-N 3.2Å; M403-S407 PolarHBondContact O-N 2.81Å; M403-S407 VanDerWaalsContact O-N 3.08Å; M403-L616 HydrophobicContact CE-CD2 3.62Å
404H70.2Confident73.7Confident26 Ų2632.3 Ų32.312%0.1217%0.172CC..Hα-helixtrans-58.5-51175.3-173.5105.9000110.8Y400 D401 L406 S407 T408 V554 F557 E558Y400-H404 PolarHBondContact O-N 2.61Å; D401-H404 PolarHBondContact O-N 3.48Å; H404-L406 VanDerWaalsContact C-N 3.29Å; H404-L406 PolarHBondContact O-N 3.1Å; H404-S407 WeakPolarHBondContact O-CA 3.23Å; H404-S407 VanDerWaalsContact O-CB 3.29Å; H404-S407 WeakPolarHBondContact O-CB 3.33Å; H404-S407 PolarHBondContact O-N 2.79Å; H404-T408 PolarHBondContact CD2-OG1 3.5Å; H404-T408 VanDerWaalsContact CD2-OG1 3.31Å; H404-T408 PolarHBondContact O-N 3.3Å; H404-T408 PolarHBondContact O-OG1 2.83Å; H404-V554 HydrophobicContact CB-CG1 4.03Å; H404-F557 AromaticContact CE1-CD1 3.58Å; H404-F557 AromaticContact NE2-CD1 3.25Å; H404-F557 VanDerWaalsContact NE2-CD1 3.25Å; H404-F557 WeakPolarHBondContact NE2-CD1 3.2Å; H404-F557 AromaticContact NE2-CE1 3.7Å; H404-E558 WeakPolarHBondContact CE1-CG 3.19Å; H404-E558 IonicContact CE1-OE1 3.8Å; H404-E558 PolarHBondContact CE1-OE1 2.97Å; H404-E558 VanDerWaalsContact CE1-OE1 3.31Å; H404-E558 IonicContact CG-OE1 3.44Å; H404-E558 IonicContact ND1-OE1 3.14Å; H404-E558 PolarHBondContact ND1-OE1 3.03Å
405Q70.2Confident73Confident52 Ų5235.6 Ų35.624%0.24320%0.195CC..Hα-helixtrans-61.8-33178.8-70-67.6-66.300112.9D401 T408 E409 I507 I510D401-Q405 VanDerWaalsContact O-CB 3.3Å; D401-Q405 WeakPolarHBondContact O-CB 3.33Å; D401-Q405 WeakPolarHBondContact O-CG 3.4Å; D401-Q405 PolarHBondContact O-N 3.43Å; Q405-T408 PolarHBondContact O-N 2.99Å; Q405-E409 WeakPolarHBondContact O-CB 3.39Å; Q405-E409 WeakPolarHBondContact O-CG 3.43Å; Q405-E409 PolarHBondContact O-N 2.81Å; Q405-I507 HydrophobicContact CB-CG1 4.12Å; Q405-I510 HydrophobicContact CG-CD1 4.24Å
406L66.8Low72.8Confident32 Ų3237.2 Ų37.217%0.16820%0.204CC..Hα-helixtrans-64.4-42.8172-178.263.7000111.6A402 M403 H404 E409 F410 I507 L643A402-L406 WeakPolarHBondContact O-CB 3.39Å; A402-L406 PolarHBondContact O-N 3.1Å; A402-L406 VanDerWaalsContact O-N 3.09Å; M403-L406 PolarHBondContact O-N 3.2Å; H404-L406 VanDerWaalsContact C-N 3.29Å; H404-L406 PolarHBondContact O-N 3.1Å; L406-E409 PolarHBondContact O-N 3.11Å; L406-F410 HydrophobicContact CD1-CD2 3.92Å; L406-F410 HydrophobicContact CD1-CE2 3.51Å; L406-F410 HydrophobicContact CD1-CZ 4.25Å; L406-F410 HydrophobicContact CD2-CE2 4.17Å; L406-F410 HydrophobicContact CG-CD2 3.9Å; L406-F410 HydrophobicContact CG-CE2 3.7Å; L406-F410 VanDerWaalsContact O-CD2 3.28Å; L406-F410 WeakPolarHBondContact O-CD2 3.27Å; L406-F410 PolarHBondContact O-N 3.11Å; L406-I507 HydrophobicContact CB-CD1 3.94Å; L406-I507 HydrophobicContact CD1-CD1 3.8Å; L406-I507 HydrophobicContact CG-CD1 4.5Å; L406-L643 HydrophobicContact CB-CD2 4.47Å; L406-L643 HydrophobicContact CD2-CD2 3.72Å
407S61.1Low72.9Confident40 Ų4038 Ų3828%0.2821%0.206SC..Hα-helixtrans-60.7-48.3173.4-167.90000111.1M403 H404 E409 F410 T411M403-S407 PolarHBondContact O-N 2.81Å; M403-S407 VanDerWaalsContact O-N 3.08Å; H404-S407 WeakPolarHBondContact O-CA 3.23Å; H404-S407 VanDerWaalsContact O-CB 3.29Å; H404-S407 WeakPolarHBondContact O-CB 3.33Å; H404-S407 PolarHBondContact O-N 2.79Å; S407-E409 VanDerWaalsContact C-N 3.34Å; S407-E409 PolarHBondContact O-N 2.94Å; S407-F410 PolarHBondContact O-N 3.49Å; S407-T411 PolarHBondContact O-N 2.96Å; S407-T411 PolarHBondContact O-OG1 2.67Å; S407-T411 VanDerWaalsContact O-OG1 3.09Å
408T67.9Low72.9Confident36 Ų3640 Ų4022%0.22121%0.213CC..Hα-helixtrans-56.1-45.1176.7-42.90000112.2H404 Q405 K412H404-T408 PolarHBondContact CD2-OG1 3.5Å; H404-T408 VanDerWaalsContact CD2-OG1 3.31Å; H404-T408 PolarHBondContact O-N 3.3Å; H404-T408 PolarHBondContact O-OG1 2.83Å; Q405-T408 PolarHBondContact O-N 2.99Å; T408-K412 WeakPolarHBondContact O-CB 3.48Å; T408-K412 PolarHBondContact O-N 2.68Å
409E68.3Low73.1Confident43 Ų4343.6 Ų43.620%0.20124%0.238CC..Hα-helixtrans-67.8-37.1179.7-76.7-70.9115.600112.6Q405 L406 S407 K412 A413 S504Q405-E409 WeakPolarHBondContact O-CB 3.39Å; Q405-E409 WeakPolarHBondContact O-CG 3.43Å; Q405-E409 PolarHBondContact O-N 2.81Å; L406-E409 PolarHBondContact O-N 3.11Å; S407-E409 VanDerWaalsContact C-N 3.34Å; S407-E409 PolarHBondContact O-N 2.94Å; E409-K412 PolarHBondContact O-N 2.97Å; E409-A413 WeakPolarHBondContact O-CB 3.25Å; E409-A413 PolarHBondContact O-N 3.49Å; E409-S504 WeakPolarHBondContact OE1-CB 3.37Å; E409-S504 WeakPolarHBondContact OE2-CB 3.46Å; E409-S504 PolarHBondContact OE2-N 3.14Å
410F64Low73.8Confident44 Ų4444 Ų4419%0.19324%0.242CC..Hα-helixtrans-67.8-46.3173.3-82.6-56.7000112.2L406 S407 K412 A413 I414 L615 L622 A636L406-F410 HydrophobicContact CD1-CD2 3.92Å; L406-F410 HydrophobicContact CD1-CE2 3.51Å; L406-F410 HydrophobicContact CD1-CZ 4.25Å; L406-F410 HydrophobicContact CD2-CE2 4.17Å; L406-F410 HydrophobicContact CG-CD2 3.9Å; L406-F410 HydrophobicContact CG-CE2 3.7Å; L406-F410 VanDerWaalsContact O-CD2 3.28Å; L406-F410 WeakPolarHBondContact O-CD2 3.27Å; L406-F410 PolarHBondContact O-N 3.11Å; S407-F410 PolarHBondContact O-N 3.49Å; F410-K412 VanDerWaalsContact C-N 3.26Å; F410-K412 PolarHBondContact O-N 2.86Å; F410-A413 PolarHBondContact O-N 2.83Å; F410-A413 VanDerWaalsContact O-N 3.13Å; F410-I414 WeakPolarHBondContact O-CG1 3.39Å; F410-I414 PolarHBondContact O-N 3.13Å; F410-L615 HydrophobicContact CB-CD2 3.65Å; F410-L615 HydrophobicContact CD2-CD2 4.11Å; F410-L615 HydrophobicContact CG-CD2 4.24Å; F410-L622 HydrophobicContact CD1-CD1 3.96Å; F410-L622 HydrophobicContact CE1-CD1 3.53Å; F410-L622 HydrophobicContact CE2-CD1 4.29Å; F410-L622 HydrophobicContact CZ-CD1 3.72Å; F410-A636 HydrophobicContact CE1-CB 4.19Å; F410-A636 HydrophobicContact CZ-CB 4.42Å
411T61.8Low74.6Confident81 Ų8142.3 Ų42.350%0.49724%0.235SC..Hα-helixtrans-58.2-41.9174.3-57.50000110.9S407 I414 S415S407-T411 PolarHBondContact O-N 2.96Å; S407-T411 PolarHBondContact O-OG1 2.67Å; S407-T411 VanDerWaalsContact O-OG1 3.09Å; T411-I414 PolarHBondContact O-N 3.07Å; T411-S415 WeakPolarHBondContact O-CB 3.37Å; T411-S415 PolarHBondContact O-N 2.71Å
412K73.9Confident75.4Confident101 Ų10148.1 Ų48.144%0.43926%0.26SS..Hα-helixtrans-63.9-43.7174.3-176.3-179.6175.7-63.10111.7T408 E409 F410 I414 S415 D416T408-K412 WeakPolarHBondContact O-CB 3.48Å; T408-K412 PolarHBondContact O-N 2.68Å; E409-K412 PolarHBondContact O-N 2.97Å; F410-K412 VanDerWaalsContact C-N 3.26Å; F410-K412 PolarHBondContact O-N 2.86Å; K412-I414 PolarHBondContact O-N 3.22Å; K412-S415 PolarHBondContact O-N 2.78Å; K412-D416 IonicContact NZ-OD2 3.34Å; K412-D416 PolarHBondContact NZ-OD2 3.37Å; K412-D416 VanDerWaalsContact O-CB 3.27Å; K412-D416 WeakPolarHBondContact O-CB 3.04Å; K412-D416 PolarHBondContact O-N 3.39Å
413A73.1Confident76.1Confident40 Ų4048.1 Ų48.133%0.33126%0.26SS..Hα-helixtrans-61.8-42177.400000112.3E409 F410 D416 F417 F498E409-A413 WeakPolarHBondContact O-CB 3.25Å; E409-A413 PolarHBondContact O-N 3.49Å; F410-A413 PolarHBondContact O-N 2.83Å; F410-A413 VanDerWaalsContact O-N 3.13Å; A413-D416 PolarHBondContact O-N 3.29Å; A413-F417 WeakPolarHBondContact O-CB 3.42Å; A413-F417 PolarHBondContact O-N 3.2Å; A413-F498 WeakPolarHBondContact O-CE2 3.48Å
414I71.7Confident76.9Confident62 Ų6251.8 Ų51.832%0.31829%0.285SS..Hα-helixtrans-62.6-45.2174.4-66.2165.2000110.5F410 T411 K412 F417 K418F410-I414 WeakPolarHBondContact O-CG1 3.39Å; F410-I414 PolarHBondContact O-N 3.13Å; T411-I414 PolarHBondContact O-N 3.07Å; K412-I414 PolarHBondContact O-N 3.22Å; I414-F417 PolarHBondContact O-N 2.79Å; I414-K418 WeakPolarHBondContact O-CG 3.22Å; I414-K418 PolarHBondContact O-N 2.91Å
415S76.5Confident77.2Confident77 Ų7752.1 Ų52.154%0.53829%0.29SS..Hα-helixtrans-64.8-41.9177-168.90000112.4T411 K412 F417 K418 S419T411-S415 WeakPolarHBondContact O-CB 3.37Å; T411-S415 PolarHBondContact O-N 2.71Å; K412-S415 PolarHBondContact O-N 2.78Å; S415-F417 VanDerWaalsContact C-N 3.33Å; S415-F417 PolarHBondContact O-N 3.25Å; S415-K418 PolarHBondContact O-N 2.88Å; S415-S419 VanDerWaalsContact O-CB 3.32Å; S415-S419 WeakPolarHBondContact O-CB 3.18Å; S415-S419 PolarHBondContact O-N 2.9Å; S415-S419 PolarHBondContact O-OG 2.99Å
416D81.7Confident77.1Confident35 Ų3553.2 Ų53.219%0.18732%0.315CS..Hα-helixtrans-62.1-37.1173.9-92.5-47.7000112K412 A413 S419 T420 F498 K501K412-D416 IonicContact NZ-OD2 3.34Å; K412-D416 PolarHBondContact NZ-OD2 3.37Å; K412-D416 VanDerWaalsContact O-CB 3.27Å; K412-D416 WeakPolarHBondContact O-CB 3.04Å; K412-D416 PolarHBondContact O-N 3.39Å; A413-D416 PolarHBondContact O-N 3.29Å; D416-S419 PolarHBondContact O-OG 3.31Å; D416-T420 WeakPolarHBondContact O-CB 3.44Å; D416-T420 PolarHBondContact O-N 3.09Å; D416-T420 VanDerWaalsContact O-N 3.16Å; D416-T420 PolarHBondContact O-OG1 2.92Å; D416-F498 HydrophobicContact CB-CD2 4.43Å; D416-F498 HydrophobicContact CB-CE2 4.09Å; D416-K501 HydrophobicContact CB-CD 3.99Å; D416-K501 VanDerWaalsContact CG-NZ 3.35Å; D416-K501 PolarHBondContact O-NZ 3.02Å; D416-K501 IonicContact OD1-NZ 3Å; D416-K501 PolarHBondContact OD1-NZ 3Å
417F84.3Confident77.4Confident40 Ų4054.4 Ų54.418%0.17533%0.326CS..Hα-helixtrans-66.4-57.6174.6178.2-95.1000110.5A413 I414 S415 S419 T420 V421 E423 I430 M495 F498A413-F417 WeakPolarHBondContact O-CB 3.42Å; A413-F417 PolarHBondContact O-N 3.2Å; I414-F417 PolarHBondContact O-N 2.79Å; S415-F417 VanDerWaalsContact C-N 3.33Å; S415-F417 PolarHBondContact O-N 3.25Å; F417-S419 VanDerWaalsContact C-N 3.31Å; F417-S419 PolarHBondContact O-N 3.31Å; F417-T420 PolarHBondContact O-N 2.9Å; F417-T420 VanDerWaalsContact O-N 3.16Å; F417-V421 HydrophobicContact CD2-CG2 3.84Å; F417-V421 HydrophobicContact CE2-CB 4.41Å; F417-V421 HydrophobicContact CE2-CG2 3.8Å; F417-V421 HydrophobicContact CG-CG2 4.37Å; F417-V421 HydrophobicContact CZ-CB 4.41Å; F417-V421 HydrophobicContact CZ-CG1 4.36Å; F417-V421 HydrophobicContact CZ-CG2 4.29Å; F417-V421 WeakPolarHBondContact O-CB 3.37Å; F417-V421 PolarHBondContact O-N 3.06Å; F417-E423 HydrophobicContact CE1-CB 4.04Å; F417-E423 HydrophobicContact CE1-CG 3.97Å; F417-I430 HydrophobicContact CZ-CD1 4.18Å; F417-M495 HydrophobicContact CE2-CE 4.37Å; F417-M495 HydrophobicContact CE2-SD 3.74Å; F417-M495 HydrophobicContact CZ-SD 4.31Å; F417-F498 HydrophobicContact CB-CD2 4Å; F417-F498 HydrophobicContact CB-CE1 4.43Å; F417-F498 HydrophobicContact CB-CE2 3.61Å; F417-F498 HydrophobicContact CB-CZ 3.85Å; F417-F498 AromaticContact CD2-CD1 3.84Å; F417-F498 HydrophobicContact CD2-CD1 3.84Å; F417-F498 HydrophobicContact CD2-CD2 4.37Å; F417-F498 AromaticContact CD2-CE1 3.86Å; F417-F498 HydrophobicContact CD2-CE1 3.86Å; F417-F498 HydrophobicContact CD2-CE2 4.39Å; F417-F498 HydrophobicContact CD2-CG 4.1Å; F417-F498 HydrophobicContact CD2-CZ 4.14Å; F417-F498 HydrophobicContact CG-CZ 4.5Å
418K85.1Confident78.2Confident61 Ų6153.6 Ų53.627%0.26532%0.322SS..Hα-helixtrans-57.1-44-176.2-69.3-163.5177.5-159.80112.2I414 S415 K422 E423 T424 S425I414-K418 WeakPolarHBondContact O-CG 3.22Å; I414-K418 PolarHBondContact O-N 2.91Å; S415-K418 PolarHBondContact O-N 2.88Å; K418-K422 VanDerWaalsContact O-CA 3.24Å; K418-K422 WeakPolarHBondContact O-CA 3.21Å; K418-K422 PolarHBondContact O-N 2.93Å; K418-E423 VanDerWaalsContact CA-O 3.22Å; K418-E423 WeakPolarHBondContact CA-O 3.43Å; K418-E423 WeakPolarHBondContact CB-O 3.27Å; K418-E423 VanDerWaalsContact CG-O 3.25Å; K418-E423 WeakPolarHBondContact CG-O 3.4Å; K418-E423 PolarHBondContact O-N 3.26Å; K418-T424 PolarHBondContact NZ-O 3.17Å; K418-S425 VanDerWaalsContact CE-O 3.31Å; K418-S425 WeakPolarHBondContact CE-O 3.25Å; K418-S425 PolarHBondContact NZ-O 3.46Å; K418-S425 VanDerWaalsContact NZ-O 3.12Å
419S89.4Confident78.9Confident75 Ų7553.1 Ų53.152%0.52432%0.318SS..Hα-helixtrans-69.3-37.617857.20000114S415 D416 F417S415-S419 VanDerWaalsContact O-CB 3.32Å; S415-S419 WeakPolarHBondContact O-CB 3.18Å; S415-S419 PolarHBondContact O-N 2.9Å; S415-S419 PolarHBondContact O-OG 2.99Å; D416-S419 PolarHBondContact O-OG 3.31Å; F417-S419 VanDerWaalsContact C-N 3.31Å; F417-S419 PolarHBondContact O-N 3.31Å
420T90.2Very high79.7Confident21 Ų2151.3 Ų51.313%0.12931%0.309CS..Hα-helixtrans-78.8-51.7-178-52.30000111.5D416 F417 K422 W494 T497 F498 K501D416-T420 WeakPolarHBondContact O-CB 3.44Å; D416-T420 PolarHBondContact O-N 3.09Å; D416-T420 VanDerWaalsContact O-N 3.16Å; D416-T420 PolarHBondContact O-OG1 2.92Å; F417-T420 PolarHBondContact O-N 2.9Å; F417-T420 VanDerWaalsContact O-N 3.16Å; T420-K422 VanDerWaalsContact C-N 3.27Å; T420-K422 PolarHBondContact O-N 3.14Å; T420-W494 WeakPolarHBondContact O-CB 3.47Å; T420-T497 HydrophobicContact CG2-CG2 3.77Å; T420-F498 HydrophobicContact CG2-CB 4.32Å; T420-K501 WeakPolarHBondContact OG1-CE 3.46Å; T420-K501 PolarHBondContact OG1-NZ 2.74Å
421V91.9Very high80.9Confident0 Ų050.3 Ų50.30%031%0.306CS..Hα-helixtrans-77.4-16.5-176.2-173.70000111.5R81 F417 E423 I430 T491 W494 M495 F498R81-V421 WeakPolarHBondContact CD-O 3.49Å; R81-V421 HydrophobicContact CG-CG1 4.24Å; F417-V421 HydrophobicContact CD2-CG2 3.84Å; F417-V421 HydrophobicContact CE2-CB 4.41Å; F417-V421 HydrophobicContact CE2-CG2 3.8Å; F417-V421 HydrophobicContact CG-CG2 4.37Å; F417-V421 HydrophobicContact CZ-CB 4.41Å; F417-V421 HydrophobicContact CZ-CG1 4.36Å; F417-V421 HydrophobicContact CZ-CG2 4.29Å; F417-V421 WeakPolarHBondContact O-CB 3.37Å; F417-V421 PolarHBondContact O-N 3.06Å; V421-E423 VanDerWaalsContact C-N 3.32Å; V421-E423 HydrophobicContact CB-CB 4.44Å; V421-E423 HydrophobicContact CG1-CB 4.25Å; V421-I430 HydrophobicContact CG1-CD1 3.86Å; V421-T491 HydrophobicContact CG1-CG2 4.35Å; V421-W494 VanDerWaalsContact O-CE3 3.23Å; V421-M495 HydrophobicContact CG1-CG 4.46Å; V421-M495 HydrophobicContact CG1-SD 4Å; V421-M495 HydrophobicContact CG2-SD 3.85Å; V421-F498 HydrophobicContact CG2-CB 4.25Å
422K95.3Very high82.3Confident121 Ų12148.4 Ų48.453%0.52629%0.294SS..THydrogen-bonded Turntrans5849.2-176.5-48.1-173.7-170.6-178.80110.7R81 K418 T420 W494R81-K422 VanDerWaalsContact CD-O 3.32Å; R81-K422 WeakPolarHBondContact CD-O 3.45Å; K418-K422 VanDerWaalsContact O-CA 3.24Å; K418-K422 WeakPolarHBondContact O-CA 3.21Å; K418-K422 PolarHBondContact O-N 2.93Å; T420-K422 VanDerWaalsContact C-N 3.27Å; T420-K422 PolarHBondContact O-N 3.14Å; K422-W494 HydrophobicContact CB-CE3 4.39Å; K422-W494 HydrophobicContact CB-CZ3 4.05Å; K422-W494 HydrophobicContact CD-CE3 4.34Å; K422-W494 HydrophobicContact CD-CH2 3.75Å; K422-W494 HydrophobicContact CD-CZ2 4.23Å; K422-W494 HydrophobicContact CD-CZ3 3.8Å; K422-W494 HydrophobicContact CG-CE3 4.21Å; K422-W494 HydrophobicContact CG-CH2 4.47Å; K422-W494 HydrophobicContact CG-CZ3 4.02Å
423E89.3Confident83.2Confident0 Ų047.6 Ų47.60%030%0.295CS..  trans-118.3131.3177177.152.1-99.500107.5G79 T80 R81 F417 K418 V421 S425 A428G79-E423 VanDerWaalsContact C-OE2 3.3Å; G79-E423 WeakPolarHBondContact CA-OE2 3.49Å; T80-E423 WeakPolarHBondContact CB-OE1 3.42Å; T80-E423 VanDerWaalsContact N-CD 3.25Å; T80-E423 PolarHBondContact N-OE1 2.63Å; T80-E423 PolarHBondContact N-OE2 2.97Å; T80-E423 PolarHBondContact OG1-OE1 2.95Å; T80-E423 PolarHBondContact OG1-OE2 2.99Å; R81-E423 HydrophobicContact CG-CB 4.07Å; R81-E423 WeakPolarHBondContact CG-OE2 3.46Å; R81-E423 PolarHBondContact N-OE2 2.92Å; F417-E423 HydrophobicContact CE1-CB 4.04Å; F417-E423 HydrophobicContact CE1-CG 3.97Å; K418-E423 VanDerWaalsContact CA-O 3.22Å; K418-E423 WeakPolarHBondContact CA-O 3.43Å; K418-E423 WeakPolarHBondContact CB-O 3.27Å; K418-E423 VanDerWaalsContact CG-O 3.25Å; K418-E423 WeakPolarHBondContact CG-O 3.4Å; K418-E423 PolarHBondContact O-N 3.26Å; V421-E423 VanDerWaalsContact C-N 3.32Å; V421-E423 HydrophobicContact CB-CB 4.44Å; V421-E423 HydrophobicContact CG1-CB 4.25Å; E423-S425 VanDerWaalsContact OE1-CB 3.23Å; E423-S425 WeakPolarHBondContact OE1-CB 3.21Å; E423-S425 PolarHBondContact OE1-N 3.22Å; E423-A428 HydrophobicContact CG-CB 3.48Å; E423-A428 VanDerWaalsContact CG-CB 3.48Å
424T82.4Confident84.2Confident101 Ų10146.6 Ų46.662%0.6229%0.286SS*.  trans-112.8-15.8-178.956.80000113.8T80 K418T80-T424 WeakPolarHBondContact CG2-OG1 3.27Å; T80-T424 PolarHBondContact OG1-N 3.48Å; K418-T424 PolarHBondContact NZ-O 3.17Å
425S77.2Confident85.3Confident33 Ų3343.6 Ų43.623%0.23127%0.271CS..  trans-58.8155.4177.9-172.20000112.4K418 E423 S427K418-S425 VanDerWaalsContact CE-O 3.31Å; K418-S425 WeakPolarHBondContact CE-O 3.25Å; K418-S425 PolarHBondContact NZ-O 3.46Å; K418-S425 VanDerWaalsContact NZ-O 3.12Å; E423-S425 VanDerWaalsContact OE1-CB 3.23Å; E423-S425 WeakPolarHBondContact OE1-CB 3.21Å; E423-S425 PolarHBondContact OE1-N 3.22Å; S425-S427 PolarHBondContact OG-N 3.45Å
426G68Low86.3Confident75 Ų7542.9 Ų42.977%0.77326%0.263SS*.SBendtrans-84-30.5168.400000112.9
427S72.2Confident87Confident57 Ų5745.7 Ų45.740%0.39928%0.282SS..SBendtrans-111.643.3-17366.10000111.9S425S425-S427 PolarHBondContact OG-N 3.45Å
428A78.7Confident87.6Confident23 Ų2343.9 Ų43.919%0.1927%0.274CS..  trans-80.7130.7-17900000111E423E423-A428 HydrophobicContact CG-CB 3.48Å; E423-A428 VanDerWaalsContact CG-CB 3.48Å
429I81.6Confident88.1Confident26 Ų2642.5 Ų42.513%0.13327%0.269CS..EExtended strand (participates in β ladder)trans-118.8128.4174-50.4178.5000107.4G75 F77 Q78G75-I429 WeakPolarHBondContact O-CG2 3.43Å; F77-I429 CarbonylContact C-O 3.55Å; F77-I429 VanDerWaalsContact CA-O 3.29Å; F77-I429 WeakPolarHBondContact CA-O 3.46Å; Q78-I429 HydrophobicContact CB-CB 4.38Å; Q78-I429 HydrophobicContact CB-CG1 4.49Å; Q78-I429 HydrophobicContact CG-CB 4.42Å; Q78-I429 HydrophobicContact CG-CD1 4.36Å; Q78-I429 HydrophobicContact CG-CG1 4.45Å; Q78-I429 PolarHBondContact N-O 2.61Å; Q78-I429 PolarHBondContact O-N 3.29Å
430I85.1Confident88.5Confident5 Ų542.2 Ų42.23%0.02627%0.266CS..EExtended strand (participates in β ladder)trans-141.790-176.8-51.6-179.4000109.8F77 R81 F417 V421 L435 T491 M495F77-I430 HydrophobicContact CD2-CG1 4.45Å; R81-I430 HydrophobicContact CB-CD1 4.38Å; R81-I430 HydrophobicContact CG-CD1 4.06Å; F417-I430 HydrophobicContact CZ-CD1 4.18Å; V421-I430 HydrophobicContact CG1-CD1 3.86Å; I430-L435 HydrophobicContact CG2-CD1 3.8Å; I430-L435 HydrophobicContact CG2-CG 4.43Å; I430-T491 HydrophobicContact CD1-CG2 4.21Å; I430-T491 HydrophobicContact CG2-CG2 3.99Å; I430-M495 HydrophobicContact CB-CE 3.97Å; I430-M495 HydrophobicContact CB-SD 4.22Å; I430-M495 HydrophobicContact CD1-SD 4.14Å; I430-M495 HydrophobicContact CG2-CE 4.09Å; I430-M495 HydrophobicContact CG2-CG 4Å; I430-M495 HydrophobicContact CG2-SD 4.09Å
431D89.8Confident88.8Confident23 Ų2343.5 Ų43.512%0.12327%0.27CS..  trans-81.5113.9165-170.6-10.5000110.2S76 D433 A434 L435 K630S76-D431 PolarHBondContact O-N 3.26Å; D431-D433 PolarHBondContact O-N 3.01Å; D431-D433 WeakPolarHBondContact OD1-CB 3.09Å; D431-D433 PolarHBondContact OD1-N 3.31Å; D431-A434 HydrophobicContact CB-CB 4.1Å; D431-A434 PolarHBondContact O-N 3.3Å; D431-L435 WeakPolarHBondContact O-CG 3.46Å; D431-L435 PolarHBondContact O-N 2.9Å; D431-L435 VanDerWaalsContact O-N 3.08Å; D431-K630 IonicContact OD1-NZ 3.21Å; D431-K630 PolarHBondContact OD1-NZ 3.04Å; D431-K630 IonicContact OD2-NZ 2.67Å; D431-K630 PolarHBondContact OD2-NZ 2.87Å
432T90.7Very high89.1Confident40 Ų4043.5 Ų43.525%0.24527%0.27CS..Hα-helixtrans-64.1-21.3177.947.30000113.8T436 M495T432-T436 PolarHBondContact O-N 3.31Å; T432-T436 VanDerWaalsContact O-N 3.12Å; T432-T436 PolarHBondContact O-OG1 2.84Å; T432-M495 HydrophobicContact CG2-CB 3.81Å; T432-M495 HydrophobicContact CG2-CG 4.05Å
433D92.6Very high89.1Confident85 Ų8540.8 Ų40.846%0.45527%0.266SS..Hα-helixtrans-76.2-42.8176.6-58.9-16.9000109.8D431 L435 T436 T437 K630D431-D433 PolarHBondContact O-N 3.01Å; D431-D433 WeakPolarHBondContact OD1-CB 3.09Å; D431-D433 PolarHBondContact OD1-N 3.31Å; D433-L435 VanDerWaalsContact C-N 3.33Å; D433-L435 PolarHBondContact O-N 3.24Å; D433-T436 WeakPolarHBondContact O-CA 3.18Å; D433-T436 WeakPolarHBondContact O-CB 3.48Å; D433-T436 PolarHBondContact O-N 2.77Å; D433-T437 PolarHBondContact O-N 2.9Å; D433-T437 PolarHBondContact O-OG1 2.8Å; D433-K630 IonicContact OD2-NZ 2.83Å; D433-K630 PolarHBondContact OD2-NZ 2.95Å
434A93.7Very high89.4Confident18 Ų1845 Ų4515%0.14929%0.289CS..Hα-helixtrans-61.1-39.8171.500000112D431 T436 T437 A438D431-A434 HydrophobicContact CB-CB 4.1Å; D431-A434 PolarHBondContact O-N 3.3Å; A434-T436 PolarHBondContact O-N 3.35Å; A434-T437 PolarHBondContact O-N 3.07Å; A434-A438 WeakPolarHBondContact O-CB 3.29Å; A434-A438 PolarHBondContact O-N 3.16Å
435L96.7Very high90.1Very high0 Ų040.4 Ų40.40%026%0.261CS..Hα-helixtrans-62.2-30.4171.6-60.2-170000112.7F77 I430 D431 D433 E439 L488 T491 K492F77-L435 HydrophobicContact CB-CD2 4.42Å; F77-L435 HydrophobicContact CD1-CD2 3.53Å; F77-L435 HydrophobicContact CD2-CD2 3.83Å; F77-L435 HydrophobicContact CE1-CD2 3.57Å; F77-L435 HydrophobicContact CE2-CD2 3.86Å; F77-L435 HydrophobicContact CG-CD2 3.68Å; F77-L435 HydrophobicContact CZ-CD2 3.74Å; I430-L435 HydrophobicContact CG2-CD1 3.8Å; I430-L435 HydrophobicContact CG2-CG 4.43Å; D431-L435 WeakPolarHBondContact O-CG 3.46Å; D431-L435 PolarHBondContact O-N 2.9Å; D431-L435 VanDerWaalsContact O-N 3.08Å; D433-L435 VanDerWaalsContact C-N 3.33Å; D433-L435 PolarHBondContact O-N 3.24Å; L435-E439 VanDerWaalsContact O-CB 3.29Å; L435-E439 WeakPolarHBondContact O-CB 3.41Å; L435-E439 PolarHBondContact O-N 2.87Å; L435-L488 HydrophobicContact CD2-CD2 3.86Å; L435-T491 HydrophobicContact CD1-CG2 3.8Å; L435-K492 HydrophobicContact CB-CD 3.9Å; L435-K492 HydrophobicContact CB-CG 3.85Å; L435-K492 HydrophobicContact CD1-CG 3.89Å
436T96.4Very high91.1Very high61 Ų6140.3 Ų40.337%0.37426%0.257SS..Hα-helixtrans-75.3-42.8178.6-580000111.5T432 D433 A434 A438 E439 S440 K492T432-T436 PolarHBondContact O-N 3.31Å; T432-T436 VanDerWaalsContact O-N 3.12Å; T432-T436 PolarHBondContact O-OG1 2.84Å; D433-T436 WeakPolarHBondContact O-CA 3.18Å; D433-T436 WeakPolarHBondContact O-CB 3.48Å; D433-T436 PolarHBondContact O-N 2.77Å; A434-T436 PolarHBondContact O-N 3.35Å; T436-A438 PolarHBondContact O-N 3.23Å; T436-E439 PolarHBondContact O-N 2.81Å; T436-S440 PolarHBondContact O-N 2.84Å; T436-K492 VanDerWaalsContact OG1-CE 3.25Å; T436-K492 WeakPolarHBondContact OG1-CE 2.72Å; T436-K492 PolarHBondContact OG1-NZ 3.1Å
437T96.5Very high92.5Very high94 Ų9440.5 Ų40.558%0.57724%0.244SC*.Hα-helixtrans-65.4-26.8172.4-55.80000112.6D433 A434 S440D433-T437 PolarHBondContact O-N 2.9Å; D433-T437 PolarHBondContact O-OG1 2.8Å; A434-T437 PolarHBondContact O-N 3.07Å; T437-S440 PolarHBondContact O-OG 2.86Å; T437-S440 VanDerWaalsContact O-OG 3.14Å
438A96.8Very high93.7Very high2 Ų241.4 Ų41.42%0.01724%0.241CC..Hα-helixtrans-75.7-39.8170.300000112.5I72 A434 T436 K441 F442 L488I72-A438 HydrophobicContact CD1-CB 3.43Å; I72-A438 VanDerWaalsContact CD1-CB 3.43Å; I72-A438 HydrophobicContact CG1-CB 3.76Å; A434-A438 WeakPolarHBondContact O-CB 3.29Å; A434-A438 PolarHBondContact O-N 3.16Å; T436-A438 PolarHBondContact O-N 3.23Å; A438-K441 PolarHBondContact O-N 2.96Å; A438-F442 WeakPolarHBondContact O-CD2 3.45Å; A438-L488 HydrophobicContact CB-CD1 3.75Å; A438-L488 HydrophobicContact CB-CD2 4.45Å
439E96.6Very high94.6Very high33 Ų3340.5 Ų40.515%0.15423%0.232CC..Hα-helixtrans-67.4-34.6-179.2-177.3169.3-141.300112.7L435 T436 K441 F442 K485 L488 T489 K492L435-E439 VanDerWaalsContact O-CB 3.29Å; L435-E439 WeakPolarHBondContact O-CB 3.41Å; L435-E439 PolarHBondContact O-N 2.87Å; T436-E439 PolarHBondContact O-N 2.81Å; E439-K441 VanDerWaalsContact C-N 3.3Å; E439-K441 PolarHBondContact O-N 2.93Å; E439-F442 PolarHBondContact O-N 3.41Å; E439-K485 HydrophobicContact CG-CG 4.14Å; E439-L488 HydrophobicContact CB-CD1 4.12Å; E439-T489 VanDerWaalsContact OE1-CB 3.29Å; E439-T489 WeakPolarHBondContact OE1-CB 3.44Å; E439-T489 WeakPolarHBondContact OE1-CG2 3.22Å; E439-T489 PolarHBondContact OE1-OG1 3.27Å; E439-K492 WeakPolarHBondContact OE2-CE 3.41Å; E439-K492 IonicContact OE2-NZ 2.64Å; E439-K492 PolarHBondContact OE2-NZ 3.01Å
440S96.1Very high95.3Very high68 Ų6843.2 Ų43.248%0.47625%0.25SS..Hα-helixtrans-65.3-29.6176.8600000113.5T436 T437 F442 S443T436-S440 PolarHBondContact O-N 2.84Å; T437-S440 PolarHBondContact O-OG 2.86Å; T437-S440 VanDerWaalsContact O-OG 3.14Å; S440-F442 PolarHBondContact O-N 3.08Å; S440-F442 VanDerWaalsContact O-N 3.09Å; S440-S443 PolarHBondContact O-OG 2.94Å
441K96.8Very high95.9Very high48 Ų4848.9 Ų48.921%0.20928%0.277CS..Hα-helixtrans-57.2-29.1179.1-66.3176.9173.9-174.70113E68 L69 S71 A438 E439 S443 D444 Q445E68-K441 WeakPolarHBondContact O-CD 3.47Å; E68-K441 PolarHBondContact O-NZ 2.85Å; L69-K441 HydrophobicContact CD2-CB 4.18Å; S71-K441 PolarHBondContact O-NZ 2.75Å; A438-K441 PolarHBondContact O-N 2.96Å; E439-K441 VanDerWaalsContact C-N 3.3Å; E439-K441 PolarHBondContact O-N 2.93Å; K441-S443 PolarHBondContact O-N 2.86Å; K441-D444 PolarHBondContact O-N 3.04Å; K441-Q445 WeakPolarHBondContact O-CG 3.16Å; K441-Q445 PolarHBondContact O-N 3.14Å
442F97.9Very high96.3Very high0 Ų048.6 Ų48.60%028%0.275CS..Hα-helixtrans-64.6-34.9-171.5-77.9-96.6000113.9L69 Y85 A438 E439 S440 D444 L446 M481 T484 K485 L488L69-F442 HydrophobicContact CD1-CE1 3.89Å; L69-F442 HydrophobicContact CD1-CZ 4.02Å; L69-F442 HydrophobicContact CD2-CD1 4.33Å; L69-F442 HydrophobicContact CD2-CD2 3.97Å; L69-F442 HydrophobicContact CD2-CE1 4Å; L69-F442 HydrophobicContact CD2-CE2 3.6Å; L69-F442 HydrophobicContact CD2-CG 4.32Å; L69-F442 HydrophobicContact CD2-CZ 3.61Å; L69-F442 HydrophobicContact CG-CZ 4.38Å; Y85-F442 HydrophobicContact CE2-CE2 4.31Å; Y85-F442 HydrophobicContact CE2-CZ 4.04Å; A438-F442 WeakPolarHBondContact O-CD2 3.45Å; E439-F442 PolarHBondContact O-N 3.41Å; S440-F442 PolarHBondContact O-N 3.08Å; S440-F442 VanDerWaalsContact O-N 3.09Å; F442-D444 VanDerWaalsContact C-N 3.31Å; F442-D444 PolarHBondContact O-N 2.79Å; F442-L446 WeakPolarHBondContact O-CB 3.14Å; F442-L446 VanDerWaalsContact O-CG 3.29Å; F442-L446 WeakPolarHBondContact O-CG 3.43Å; F442-L446 PolarHBondContact O-N 3.4Å; F442-L446 VanDerWaalsContact O-N 3.14Å; F442-M481 HydrophobicContact CD1-CB 4.35Å; F442-M481 HydrophobicContact CD1-CE 3.61Å; F442-M481 HydrophobicContact CD1-SD 3.94Å; F442-M481 HydrophobicContact CE1-CE 4.2Å; F442-M481 WeakPolarHBondContact CE1-O 3.25Å; F442-M481 HydrophobicContact CE1-SD 3.98Å; F442-M481 HydrophobicContact CG-CE 4.39Å; F442-T484 HydrophobicContact CE1-CG2 4.12Å; F442-T484 HydrophobicContact CZ-CG2 3.9Å; F442-K485 HydrophobicContact CB-CD 3.95Å; F442-K485 HydrophobicContact CB-CG 4.27Å; F442-K485 HydrophobicContact CD1-CB 3.72Å; F442-K485 HydrophobicContact CD1-CD 4.49Å; F442-K485 HydrophobicContact CD1-CG 4.36Å; F442-K485 HydrophobicContact CD2-CB 4.07Å; F442-K485 HydrophobicContact CD2-CG 4.09Å; F442-K485 HydrophobicContact CE1-CB 3.88Å; F442-K485 HydrophobicContact CE2-CB 4.21Å; F442-K485 HydrophobicContact CG-CB 3.83Å; F442-K485 HydrophobicContact CG-CD 4.13Å; F442-K485 HydrophobicContact CG-CG 3.97Å; F442-K485 HydrophobicContact CZ-CB 4.13Å; F442-L488 HydrophobicContact CE2-CD1 3.84Å
443S96.3Very high96.6Very high64 Ų6448.2 Ų48.245%0.44827%0.27SS..Hα-helixtrans-61.1-42.9176.4430000111.6S440 K441 Q445 L446 T447S440-S443 PolarHBondContact O-OG 2.94Å; K441-S443 PolarHBondContact O-N 2.86Å; S443-Q445 PolarHBondContact O-N 2.6Å; S443-L446 PolarHBondContact O-N 3.42Å; S443-T447 PolarHBondContact O-N 2.83Å; S443-T447 PolarHBondContact O-OG1 2.89Å
444D95.3Very high96.8Very high90 Ų9046.4 Ų46.448%0.48127%0.267SS..Hα-helixtrans-71.9-37.9-169.8-51.4-1.5000110K441 F442 T447 K448K441-D444 PolarHBondContact O-N 3.04Å; F442-D444 VanDerWaalsContact C-N 3.31Å; F442-D444 PolarHBondContact O-N 2.79Å; D444-T447 PolarHBondContact O-N 2.84Å; D444-K448 WeakPolarHBondContact O-CG 3.36Å; D444-K448 PolarHBondContact O-N 2.99Å
445Q97.6Very high97Very high4 Ų450.2 Ų50.22%0.01928%0.28CS..Hα-helixtrans-72.4-35.1175.7-48.2-54.4-43.500112.3F61 V65 E68 K441 S443 T447 F449 M481F61-Q445 HydrophobicContact CE2-CB 4.37Å; F61-Q445 HydrophobicContact CZ-CB 4.26Å; F61-Q445 WeakPolarHBondContact CZ-O 3.42Å; V65-Q445 HydrophobicContact CG2-CB 3.81Å; V65-Q445 HydrophobicContact CG2-CG 3.83Å; E68-Q445 PolarHBondContact OE2-NE2 2.85Å; K441-Q445 WeakPolarHBondContact O-CG 3.16Å; K441-Q445 PolarHBondContact O-N 3.14Å; S443-Q445 PolarHBondContact O-N 2.6Å; Q445-T447 VanDerWaalsContact C-N 3.33Å; Q445-F449 VanDerWaalsContact O-CB 3.28Å; Q445-F449 WeakPolarHBondContact O-CB 3.08Å; Q445-F449 PolarHBondContact O-N 3.45Å; Q445-M481 HydrophobicContact CB-CE 3.73Å
446L97.7Very high97Very high30 Ų3050.4 Ų50.416%0.15728%0.281CS..Hα-helixtrans-65.6-36.8172.7-73.7171.1000111.5F442 S443 F449 T450 F477 T478 M481F442-L446 WeakPolarHBondContact O-CB 3.14Å; F442-L446 VanDerWaalsContact O-CG 3.29Å; F442-L446 WeakPolarHBondContact O-CG 3.43Å; F442-L446 PolarHBondContact O-N 3.4Å; F442-L446 VanDerWaalsContact O-N 3.14Å; S443-L446 PolarHBondContact O-N 3.42Å; L446-F449 PolarHBondContact O-N 2.83Å; L446-T450 PolarHBondContact O-N 3.34Å; L446-T450 PolarHBondContact O-OG1 3.44Å; L446-F477 HydrophobicContact CD2-CE1 4.08Å; L446-T478 HydrophobicContact CD2-CG2 4.08Å; L446-M481 HydrophobicContact CD2-CB 3.98Å; L446-M481 HydrophobicContact CD2-CE 4.4Å; L446-M481 HydrophobicContact CD2-CG 4.06Å; L446-M481 HydrophobicContact CG-CE 4.14Å
447T97.6Very high97Very high80 Ų8052 Ų5249%0.49128%0.283SS..Hα-helixtrans-64.2-54.4173-55.90000111.3S443 D444 Q445 F449 T450 E451S443-T447 PolarHBondContact O-N 2.83Å; S443-T447 PolarHBondContact O-OG1 2.89Å; D444-T447 PolarHBondContact O-N 2.84Å; Q445-T447 VanDerWaalsContact C-N 3.33Å; T447-F449 PolarHBondContact O-N 2.81Å; T447-T450 WeakPolarHBondContact O-CB 3.21Å; T447-T450 PolarHBondContact O-N 3.45Å; T447-E451 PolarHBondContact O-N 3.29Å
448K97.4Very high97.1Very high76 Ų7652.3 Ų52.333%0.3329%0.285SS..Hα-helixtrans-51.5-42.6174.6-70173.1-169.6173.80112.1F61 E68 D444 E451 I452F61-K448 HydrophobicContact CD2-CB 4.22Å; F61-K448 HydrophobicContact CD2-CD 4.42Å; F61-K448 HydrophobicContact CE2-CB 3.77Å; F61-K448 HydrophobicContact CE2-CD 4.08Å; E68-K448 IonicContact OE1-NZ 2.69Å; E68-K448 PolarHBondContact OE1-NZ 3.05Å; E68-K448 VanDerWaalsContact OE1-NZ 3.14Å; E68-K448 IonicContact OE2-NZ 3.54Å; E68-K448 PolarHBondContact OE2-NZ 3.14Å; D444-K448 WeakPolarHBondContact O-CG 3.36Å; D444-K448 PolarHBondContact O-N 2.99Å; K448-E451 PolarHBondContact O-N 3.15Å; K448-I452 WeakPolarHBondContact O-CG1 3.24Å; K448-I452 PolarHBondContact O-N 2.88Å
449F97.9Very high97.1Very high3 Ų352.7 Ų52.71%0.01329%0.287CS..Hα-helixtrans-65.8-41.1178.5177.7-101.7000112.8L58 F61 L96 L99 Q445 L446 T447 E451 I452 E453 F477L58-F449 HydrophobicContact CD1-CE2 4.19Å; F61-F449 HydrophobicContact CD1-CD2 4.3Å; F61-F449 HydrophobicContact CE1-CB 3.88Å; F61-F449 AromaticContact CE1-CD2 3.79Å; F61-F449 HydrophobicContact CE1-CD2 3.79Å; F61-F449 HydrophobicContact CE1-CG 4.28Å; F61-F449 HydrophobicContact CZ-CB 3.84Å; L96-F449 HydrophobicContact CD2-CD2 4.03Å; L96-F449 HydrophobicContact CD2-CE2 3.75Å; L99-F449 HydrophobicContact CD2-CE2 3.51Å; L99-F449 HydrophobicContact CD2-CZ 3.56Å; Q445-F449 VanDerWaalsContact O-CB 3.28Å; Q445-F449 WeakPolarHBondContact O-CB 3.08Å; Q445-F449 PolarHBondContact O-N 3.45Å; L446-F449 PolarHBondContact O-N 2.83Å; T447-F449 PolarHBondContact O-N 2.81Å; F449-E451 VanDerWaalsContact C-N 3.27Å; F449-E451 PolarHBondContact O-N 3.37Å; F449-I452 PolarHBondContact O-N 3.38Å; F449-I452 VanDerWaalsContact O-N 3.09Å; F449-E453 HydrophobicContact CE1-CB 4.37Å; F449-E453 HydrophobicContact CZ-CB 4.5Å; F449-E453 PolarHBondContact O-N 2.9Å; F449-F477 HydrophobicContact CB-CD1 4.38Å; F449-F477 HydrophobicContact CB-CE1 3.61Å; F449-F477 HydrophobicContact CB-CZ 4.32Å; F449-F477 AromaticContact CD1-CD1 3.56Å; F449-F477 HydrophobicContact CD1-CD1 3.56Å; F449-F477 AromaticContact CD1-CE1 3.63Å; F449-F477 HydrophobicContact CD1-CE1 3.63Å; F449-F477 AromaticContact CD2-CD1 3.76Å; F449-F477 HydrophobicContact CD2-CD1 3.76Å; F449-F477 AromaticContact CD2-CE1 3.68Å; F449-F477 HydrophobicContact CD2-CE1 3.68Å; F449-F477 HydrophobicContact CD2-CZ 4.4Å; F449-F477 AromaticContact CE1-CD1 3.68Å; F449-F477 HydrophobicContact CE1-CD1 3.68Å; F449-F477 HydrophobicContact CE1-CE1 4.24Å; F449-F477 AromaticContact CE2-CD1 3.87Å; F449-F477 HydrophobicContact CE2-CD1 3.87Å; F449-F477 HydrophobicContact CE2-CE1 4.28Å; F449-F477 HydrophobicContact CE2-CG 4.41Å; F449-F477 AromaticContact CG-CD1 3.6Å; F449-F477 HydrophobicContact CG-CD1 3.6Å; F449-F477 AromaticContact CG-CE1 3.31Å; F449-F477 HydrophobicContact CG-CE1 3.31Å; F449-F477 HydrophobicContact CG-CZ 4.28Å; F449-F477 AromaticContact CZ-CD1 3.84Å; F449-F477 HydrophobicContact CZ-CD1 3.84Å; F449-F477 HydrophobicContact CZ-CG 4.47Å
450T96.9Very high97.2Very high84 Ų8452.3 Ų52.352%0.51528%0.284SS..Hα-helixtrans-61.5-37.4178.7-56.20000111.2L446 T447 A454L446-T450 PolarHBondContact O-N 3.34Å; L446-T450 PolarHBondContact O-OG1 3.44Å; T447-T450 WeakPolarHBondContact O-CB 3.21Å; T447-T450 PolarHBondContact O-N 3.45Å; T450-A454 WeakPolarHBondContact O-CB 3.18Å; T450-A454 PolarHBondContact O-N 2.71Å
451E97.1Very high97.2Very high124 Ų12453 Ų5358%0.57929%0.289SS*.Hα-helixtrans-63.6-39.5173.2-65.3174.7-167.200112.7T447 K448 F449 K455T447-E451 PolarHBondContact O-N 3.29Å; K448-E451 PolarHBondContact O-N 3.15Å; F449-E451 VanDerWaalsContact C-N 3.27Å; F449-E451 PolarHBondContact O-N 3.37Å; E451-K455 WeakPolarHBondContact O-CG 3.31Å; E451-K455 PolarHBondContact O-N 3.09Å
452I97.3Very high97.2Very high17 Ų1753.4 Ų53.49%0.08730%0.298CS..Hα-helixtrans-68.2-46.8177-64.4167.5000110.6L58 F61 K448 F449 A454 K455 F456L58-I452 HydrophobicContact CB-CG2 4.15Å; L58-I452 HydrophobicContact CD1-CG2 4.18Å; F61-I452 HydrophobicContact CB-CD1 3.55Å; F61-I452 HydrophobicContact CD1-CD1 4.11Å; F61-I452 HydrophobicContact CD2-CD1 4.18Å; F61-I452 HydrophobicContact CG-CD1 3.67Å; K448-I452 WeakPolarHBondContact O-CG1 3.24Å; K448-I452 PolarHBondContact O-N 2.88Å; F449-I452 PolarHBondContact O-N 3.38Å; F449-I452 VanDerWaalsContact O-N 3.09Å; I452-A454 VanDerWaalsContact C-N 3.27Å; I452-A454 PolarHBondContact O-N 2.85Å; I452-K455 PolarHBondContact O-N 2.99Å; I452-F456 HydrophobicContact CG2-CD2 4.18Å; I452-F456 HydrophobicContact CG2-CE2 3.99Å; I452-F456 WeakPolarHBondContact O-CD2 3.47Å; I452-F456 PolarHBondContact O-N 2.91Å
453E96.6Very high97.2Very high31 Ų3153.4 Ų53.415%0.14530%0.298CS..Hα-helixtrans-62.1-35.5179.3-157-157.6-158.400111.9F449 K455 K457 G474F449-E453 HydrophobicContact CE1-CB 4.37Å; F449-E453 HydrophobicContact CZ-CB 4.5Å; F449-E453 PolarHBondContact O-N 2.9Å; E453-K455 PolarHBondContact O-N 3.47Å; E453-K457 VanDerWaalsContact CD-CE 3.45Å; E453-K457 HydrophobicContact CG-CD 4.37Å; E453-K457 WeakPolarHBondContact O-CG 3.38Å; E453-K457 PolarHBondContact O-N 3.36Å; E453-K457 VanDerWaalsContact O-N 3.09Å; E453-K457 IonicContact OE1-NZ 2.88Å; E453-K457 PolarHBondContact OE1-NZ 2.8Å; E453-K457 IonicContact OE2-NZ 2.61Å; E453-K457 PolarHBondContact OE2-NZ 3.3Å; E453-G474 PolarHBondContact OE1-N 3.36Å
454A97.3Very high97.2Very high47 Ų4754.4 Ų54.439%0.38831%0.305SS..Hα-helixtrans-64.4-34.7176.200000113.4T450 I452 T458T450-A454 WeakPolarHBondContact O-CB 3.18Å; T450-A454 PolarHBondContact O-N 2.71Å; I452-A454 VanDerWaalsContact C-N 3.27Å; I452-A454 PolarHBondContact O-N 2.85Å; A454-T458 WeakPolarHBondContact O-CB 3.29Å; A454-T458 PolarHBondContact O-N 2.75Å; A454-T458 PolarHBondContact O-OG1 3.01Å
455K97.5Very high97.3Very high98 Ų9855 Ų5543%0.42631%0.308SS..Hα-helixtrans-66.3-51176.1-63.3176-168.4176.70111.3D54 E451 I452 E453 K457 T458 V459D54-K455 WeakPolarHBondContact OD1-CD 3.48Å; D54-K455 WeakPolarHBondContact OD2-CB 3.27Å; E451-K455 WeakPolarHBondContact O-CG 3.31Å; E451-K455 PolarHBondContact O-N 3.09Å; I452-K455 PolarHBondContact O-N 2.99Å; E453-K455 PolarHBondContact O-N 3.47Å; K455-K457 VanDerWaalsContact C-N 3.31Å; K455-K457 PolarHBondContact O-N 2.9Å; K455-T458 WeakPolarHBondContact O-CA 3.44Å; K455-T458 WeakPolarHBondContact O-CB 3.3Å; K455-T458 PolarHBondContact O-N 3.48Å; K455-V459 WeakPolarHBondContact O-CG2 3.41Å; K455-V459 PolarHBondContact O-N 3.36Å
456F98Very high97.3Very high4 Ų455.8 Ų55.82%0.01831%0.312CS..Hα-helixtrans-52.6-47.9174.4-81.2-72.7000112.3L51 D54 L55 L58 H103 I452 T458 V459 Y460L51-F456 HydrophobicContact CD2-CD1 3.46Å; L51-F456 VanDerWaalsContact CD2-CD1 3.46Å; L51-F456 HydrophobicContact CD2-CE1 3.83Å; D54-F456 HydrophobicContact CB-CD1 4.39Å; D54-F456 HydrophobicContact CB-CD2 4.21Å; D54-F456 HydrophobicContact CB-CE1 4.01Å; D54-F456 HydrophobicContact CB-CE2 3.82Å; D54-F456 HydrophobicContact CB-CG 4.49Å; D54-F456 HydrophobicContact CB-CZ 3.72Å; L55-F456 HydrophobicContact CB-CZ 4.21Å; L58-F456 HydrophobicContact CB-CE2 4.3Å; L58-F456 HydrophobicContact CD2-CE2 4.17Å; L58-F456 HydrophobicContact CD2-CZ 4.45Å; H103-F456 HydrophobicContact CB-CE1 3.85Å; H103-F456 HydrophobicContact CB-CZ 4.12Å; H103-F456 AromaticContact CD2-CE2 3.97Å; H103-F456 AromaticContact CD2-CZ 3.81Å; H103-F456 AromaticContact CE1-CD1 3.44Å; H103-F456 VanDerWaalsContact CE1-CD1 3.44Å; H103-F456 WeakPolarHBondContact CE1-CD1 3.38Å; H103-F456 AromaticContact CE1-CD2 3.78Å; H103-F456 AromaticContact CE1-CE1 3.89Å; H103-F456 AromaticContact CE1-CG 3.37Å; H103-F456 WeakPolarHBondContact CE1-CG 3.38Å; H103-F456 AromaticContact CG-CD1 3.86Å; H103-F456 AromaticContact CG-CE1 3.52Å; H103-F456 AromaticContact CG-CZ 3.74Å; H103-F456 AromaticContact ND1-CD1 3.26Å; H103-F456 VanDerWaalsContact ND1-CD1 3.26Å; H103-F456 WeakPolarHBondContact ND1-CD1 3.14Å; H103-F456 AromaticContact ND1-CE1 3.44Å; H103-F456 WeakPolarHBondContact ND1-CE1 3.49Å; H103-F456 AromaticContact ND1-CG 3.74Å; H103-F456 AromaticContact NE2-CD2 3.76Å; H103-F456 AromaticContact NE2-CE2 3.9Å; H103-F456 AromaticContact NE2-CG 3.86Å; I452-F456 HydrophobicContact CG2-CD2 4.18Å; I452-F456 HydrophobicContact CG2-CE2 3.99Å; I452-F456 WeakPolarHBondContact O-CD2 3.47Å; I452-F456 PolarHBondContact O-N 2.91Å; F456-T458 VanDerWaalsContact C-N 3.31Å; F456-T458 PolarHBondContact O-N 3.3Å; F456-V459 PolarHBondContact O-N 2.83Å; F456-Y460 HydrophobicContact CB-CD2 4.46Å; F456-Y460 HydrophobicContact CB-CE2 4.19Å; F456-Y460 HydrophobicContact CD1-CE2 4.15Å; F456-Y460 WeakPolarHBondContact O-CD2 3.28Å; F456-Y460 PolarHBondContact O-N 2.93Å
457K96.7Very high97.2Very high96 Ų9655 Ų5542%0.41731%0.309SS..Hα-helixtrans-60-39.1176.9-73.6170.6177.6174.60112.3E453 K455 S461E453-K457 VanDerWaalsContact CD-CE 3.45Å; E453-K457 HydrophobicContact CG-CD 4.37Å; E453-K457 WeakPolarHBondContact O-CG 3.38Å; E453-K457 PolarHBondContact O-N 3.36Å; E453-K457 VanDerWaalsContact O-N 3.09Å; E453-K457 IonicContact OE1-NZ 2.88Å; E453-K457 PolarHBondContact OE1-NZ 2.8Å; E453-K457 IonicContact OE2-NZ 2.61Å; E453-K457 PolarHBondContact OE2-NZ 3.3Å; K455-K457 VanDerWaalsContact C-N 3.31Å; K455-K457 PolarHBondContact O-N 2.9Å; K457-S461 WeakPolarHBondContact O-CB 3.38Å; K457-S461 PolarHBondContact O-N 2.69Å; K457-S461 VanDerWaalsContact O-N 3.11Å; K457-S461 PolarHBondContact O-OG 3.1Å
458T97.5Very high97.1Very high99 Ų9956.6 Ų56.661%0.60732%0.323SS*.Hα-helixtrans-64.7-49.2175.1-56.70000111.5A454 K455 F456 S461 S462A454-T458 WeakPolarHBondContact O-CB 3.29Å; A454-T458 PolarHBondContact O-N 2.75Å; A454-T458 PolarHBondContact O-OG1 3.01Å; K455-T458 WeakPolarHBondContact O-CA 3.44Å; K455-T458 WeakPolarHBondContact O-CB 3.3Å; K455-T458 PolarHBondContact O-N 3.48Å; F456-T458 VanDerWaalsContact C-N 3.31Å; F456-T458 PolarHBondContact O-N 3.3Å; T458-S461 PolarHBondContact O-N 3.13Å; T458-S462 PolarHBondContact O-N 3.43Å; T458-S462 VanDerWaalsContact O-N 3.15Å
459V97.7Very high97Very high10 Ų1055 Ų556%0.06132%0.319CS..Hα-helixtrans-66.3-45.8-177.2-176.70000111.2A47 E50 L51 K455 F456 S461 S462A47-V459 HydrophobicContact CB-CG1 3.7Å; E50-V459 HydrophobicContact CB-CG1 4.18Å; E50-V459 HydrophobicContact CB-CG2 3.82Å; L51-V459 HydrophobicContact CD1-CG1 4.36Å; L51-V459 HydrophobicContact CD2-CB 4.13Å; L51-V459 HydrophobicContact CD2-CG1 4.08Å; L51-V459 HydrophobicContact CG-CB 4.36Å; L51-V459 HydrophobicContact CG-CG1 3.77Å; K455-V459 WeakPolarHBondContact O-CG2 3.41Å; K455-V459 PolarHBondContact O-N 3.36Å; F456-V459 PolarHBondContact O-N 2.83Å; V459-S461 VanDerWaalsContact C-N 3.34Å; V459-S461 PolarHBondContact O-N 2.85Å; V459-S462 WeakPolarHBondContact O-CB 3.43Å; V459-S462 PolarHBondContact O-N 3.09Å; V459-S462 VanDerWaalsContact O-N 3.08Å; V459-S462 PolarHBondContact O-OG 2.91Å
460Y97.7Very high96.8Very high26 Ų2657.5 Ų57.510%0.10234%0.337CS..Hα-helixtrans-61.4-39.4176-66.6-44.1000112.7L51 H103 N106 I110 F456 S462 I463 S464 V469L51-Y460 HydrophobicContact CD1-CD1 4.17Å; L51-Y460 HydrophobicContact CD1-CE1 3.65Å; L51-Y460 HydrophobicContact CD2-CD1 4.07Å; L51-Y460 HydrophobicContact CD2-CE1 3.56Å; L51-Y460 HydrophobicContact CD2-CE2 4.4Å; L51-Y460 HydrophobicContact CG-CE1 4.28Å; H103-Y460 AromaticContact CE1-CE2 3.97Å; H103-Y460 AromaticContact ND1-CE2 3.68Å; H103-Y460 AromaticContact ND1-CZ 3.76Å; H103-Y460 PolarHBondContact ND1-OH 2.69Å; N106-Y460 HydrophobicContact CB-CE1 3.98Å; N106-Y460 WeakPolarHBondContact CB-OH 3.42Å; N106-Y460 PolarHBondContact ND2-OH 3.14Å; I110-Y460 HydrophobicContact CD1-CE1 4.39Å; F456-Y460 HydrophobicContact CB-CD2 4.46Å; F456-Y460 HydrophobicContact CB-CE2 4.19Å; F456-Y460 HydrophobicContact CD1-CE2 4.15Å; F456-Y460 WeakPolarHBondContact O-CD2 3.28Å; F456-Y460 PolarHBondContact O-N 2.93Å; Y460-S462 PolarHBondContact O-N 2.9Å; Y460-I463 WeakPolarHBondContact O-CG1 3.46Å; Y460-I463 PolarHBondContact O-N 2.94Å; Y460-S464 PolarHBondContact O-N 3.1Å; Y460-V469 HydrophobicContact CD1-CG2 3.88Å; Y460-V469 HydrophobicContact CE1-CG2 4.38Å; Y460-V469 HydrophobicContact CG-CG2 4.15Å
461S96.4Very high96.6Very high83 Ų8362 Ų6258%0.5835%0.352SS*.Hα-helixtrans-60.9-33.2174.8-58.70000112.2K457 T458 V459 I463 S464K457-S461 WeakPolarHBondContact O-CB 3.38Å; K457-S461 PolarHBondContact O-N 2.69Å; K457-S461 VanDerWaalsContact O-N 3.11Å; K457-S461 PolarHBondContact O-OG 3.1Å; T458-S461 PolarHBondContact O-N 3.13Å; V459-S461 VanDerWaalsContact C-N 3.34Å; V459-S461 PolarHBondContact O-N 2.85Å; S461-I463 PolarHBondContact O-N 3.03Å; S461-S464 PolarHBondContact O-OG 3.28Å
462S97.3Very high96.5Very high55 Ų5556.6 Ų56.639%0.38533%0.328SS..THydrogen-bonded Turntrans-72.8-9-178.4810000115.2R43 T458 V459 Y460R43-S462 PolarHBondContact NH2-O 2.8Å; T458-S462 PolarHBondContact O-N 3.43Å; T458-S462 VanDerWaalsContact O-N 3.15Å; V459-S462 WeakPolarHBondContact O-CB 3.43Å; V459-S462 PolarHBondContact O-N 3.09Å; V459-S462 VanDerWaalsContact O-N 3.08Å; V459-S462 PolarHBondContact O-OG 2.91Å; Y460-S462 PolarHBondContact O-N 2.9Å
463I97.4Very high96.3Very high1 Ų158.3 Ų58.31%0.00534%0.342CS..THydrogen-bonded Turntrans-129.27.9-178.661.6173.2000113.8L44 A47 I110 Y460 S461 D465 L466 V467L44-I463 HydrophobicContact CD2-CB 4.04Å; L44-I463 HydrophobicContact CD2-CD1 4.09Å; L44-I463 HydrophobicContact CD2-CG2 4.08Å; A47-I463 HydrophobicContact CB-CD1 4.04Å; A47-I463 HydrophobicContact CB-CG2 3.54Å; I110-I463 HydrophobicContact CD1-CD1 3.69Å; I110-I463 HydrophobicContact CG1-CD1 4.1Å; Y460-I463 WeakPolarHBondContact O-CG1 3.46Å; Y460-I463 PolarHBondContact O-N 2.94Å; S461-I463 PolarHBondContact O-N 3.03Å; I463-D465 PolarHBondContact O-N 2.91Å; I463-D465 VanDerWaalsContact O-N 3.15Å; I463-L466 WeakPolarHBondContact O-CB 3.33Å; I463-L466 PolarHBondContact O-N 3.35Å; I463-V467 HydrophobicContact CB-CG1 4.41Å; I463-V467 HydrophobicContact CD1-CG1 3.81Å; I463-V467 HydrophobicContact CG1-CG1 4.14Å; I463-V467 PolarHBondContact O-N 3.45Å; I463-V467 VanDerWaalsContact O-N 3.13Å
464S96.8Very high96.3Very high85 Ų8556.9 Ų56.959%0.59434%0.335SS*.THydrogen-bonded Turntrans-64.6-18.7-17558.70000114.3Y460 S461Y460-S464 PolarHBondContact O-N 3.1Å; S461-S464 PolarHBondContact O-OG 3.28Å
465D97Very high96.3Very high102 Ų10257.7 Ų57.755%0.54534%0.337SS..THydrogen-bonded Turntrans-81-11.617164.9-56.6000113.9R43 I463R43-D465 IonicContact CZ-OD1 3.11Å; R43-D465 IonicContact CZ-OD2 2.74Å; R43-D465 IonicContact NH1-OD1 2.69Å; R43-D465 IonicContact NH1-OD2 3.13Å; R43-D465 PolarHBondContact NH1-OD2 2.95Å; R43-D465 IonicContact NH2-OD1 2.69Å; R43-D465 PolarHBondContact NH2-OD1 3.33Å; R43-D465 IonicContact NH2-OD2 3.88Å; R43-D465 PolarHBondContact NH2-OD2 3.42Å; I463-D465 PolarHBondContact O-N 2.91Å; I463-D465 VanDerWaalsContact O-N 3.15Å
466L97Very high96.3Very high21 Ų2154.3 Ų54.311%0.1133%0.331CS..THydrogen-bonded Turntrans-108.9-34.9-175.2-56.5-174.6000113.2K40 R43 L44 I463K40-L466 HydrophobicContact CB-CD1 4.34Å; K40-L466 HydrophobicContact CB-CD2 4.24Å; K40-L466 HydrophobicContact CD-CD2 3.79Å; K40-L466 HydrophobicContact CG-CD1 4.48Å; K40-L466 HydrophobicContact CG-CD2 3.7Å; R43-L466 HydrophobicContact CB-CD1 3.92Å; L44-L466 HydrophobicContact CD1-CB 4.32Å; L44-L466 HydrophobicContact CD1-CD1 4.32Å; L44-L466 HydrophobicContact CD2-CB 4.15Å; L44-L466 HydrophobicContact CD2-CD1 4.27Å; L44-L466 HydrophobicContact CG-CB 4.38Å; L44-L466 HydrophobicContact CG-CD1 3.89Å; I463-L466 WeakPolarHBondContact O-CB 3.33Å; I463-L466 PolarHBondContact O-N 3.35Å
467V96.5Very high96.2Very high14 Ų1454.2 Ų54.29%0.08533%0.33CS..  trans-150.5131.5-175.960.50000111L44 T109 I110 K113 I463 V469L44-V467 HydrophobicContact CD2-CG1 3.75Å; T109-V467 HydrophobicContact CG2-CG2 4.21Å; I110-V467 HydrophobicContact CG1-CG1 4.1Å; K113-V467 HydrophobicContact CB-CB 4.5Å; K113-V467 HydrophobicContact CB-CG2 4.12Å; K113-V467 HydrophobicContact CG-CB 4.24Å; K113-V467 HydrophobicContact CG-CG2 4.3Å; I463-V467 HydrophobicContact CB-CG1 4.41Å; I463-V467 HydrophobicContact CD1-CG1 3.81Å; I463-V467 HydrophobicContact CG1-CG1 4.14Å; I463-V467 PolarHBondContact O-N 3.45Å; I463-V467 VanDerWaalsContact O-N 3.13Å; V467-V469 HydrophobicContact CG1-CG1 4.31Å; V467-V469 HydrophobicContact CG2-CG1 4.28Å
468S95.6Very high96.3Very high112 Ų11252.4 Ų52.478%0.78333%0.328SS*.  trans-83.2123.4169.5-52.80000109.3
469V95.7Very high96.3Very high43 Ų4353 Ų5326%0.26132%0.323SS..  trans-118.1163.1177.8-67.30000110N106 I110 Y460 V467N106-V469 HydrophobicContact CB-CB 4.38Å; N106-V469 HydrophobicContact CB-CG1 4.47Å; I110-V469 HydrophobicContact CD1-CG1 4.36Å; I110-V469 HydrophobicContact CG1-CG1 4.14Å; Y460-V469 HydrophobicContact CD1-CG2 3.88Å; Y460-V469 HydrophobicContact CE1-CG2 4.38Å; Y460-V469 HydrophobicContact CG-CG2 4.15Å; V467-V469 HydrophobicContact CG1-CG1 4.31Å; V467-V469 HydrophobicContact CG2-CG1 4.28Å
470S92.7Very high96.4Very high55 Ų5553.1 Ų53.139%0.38532%0.323SS..  trans-70.9146.1174.870.70000111.4N106 V472N106-S470 PolarHBondContact ND2-O 3.23Å; N106-S470 PolarHBondContact ND2-OG 3.05Å; N106-S470 WeakPolarHBondContact OD1-CB 3.25Å; N106-S470 PolarHBondContact OD1-N 2.99Å; N106-S470 PolarHBondContact OD1-OG 2.92Å; S470-V472 PolarHBondContact O-N 2.82Å
471E92.2Very high96.4Very high179 Ų17951.9 Ų51.984%0.83632%0.318SS*.  trans-74.7118.9170.3-171.5-177.7167.300109.7
472V95.4Very high96.5Very high10 Ų1051.7 Ų51.76%0.06131%0.308CS..  trans-105.4113.2179.6-172.90000108.8L99 K102 H103 N106 S470L99-V472 HydrophobicContact CD1-CG1 3.55Å; L99-V472 HydrophobicContact CG-CG1 4.2Å; K102-V472 HydrophobicContact CB-CG1 3.87Å; K102-V472 HydrophobicContact CB-CG2 3.89Å; K102-V472 HydrophobicContact CD-CG1 4.4Å; H103-V472 VanDerWaalsContact CE1-CG1 3.47Å; H103-V472 WeakPolarHBondContact CE1-CG1 3.37Å; H103-V472 WeakPolarHBondContact NE2-CG1 3.2Å; N106-V472 VanDerWaalsContact ND2-CG2 3.34Å; N106-V472 WeakPolarHBondContact ND2-CG2 3.4Å; S470-V472 PolarHBondContact O-N 2.82Å
473S94.1Very high96.5Very high54 Ų5453.3 Ų53.338%0.37831%0.309SS..  trans-110.1127.9-174.3-179.50000111.8L99 S475L99-S473 WeakPolarHBondContact CD1-O 3.32Å; S473-S475 PolarHBondContact O-N 2.74Å; S473-S475 WeakPolarHBondContact OG-CB 3.22Å; S473-S475 PolarHBondContact OG-N 3.04Å; S473-S475 PolarHBondContact OG-OG 3.32Å
474G96.3Very high96.6Very high0 Ų053.3 Ų53.30%031%0.308CS..THydrogen-bonded Turntrans-71.7-3.9174.600000115.7E453 G476 F477 T478E453-G474 PolarHBondContact OE1-N 3.36Å; G474-G476 VanDerWaalsContact C-N 3.28Å; G474-G476 PolarHBondContact O-N 3.47Å; G474-G476 VanDerWaalsContact O-N 3.16Å; G474-F477 WeakPolarHBondContact O-CB 3.24Å; G474-F477 PolarHBondContact O-N 2.91Å; G474-T478 PolarHBondContact O-N 3.08Å; G474-T478 VanDerWaalsContact O-N 3.16Å; G474-T478 PolarHBondContact O-OG1 3.28Å
475S96.4Very high96.7Very high64 Ų6451.7 Ų51.745%0.44829%0.291SS..Hα-helixtrans-50.8-42.1-174.249.90000114S473 F477 T478 E479S473-S475 PolarHBondContact O-N 2.74Å; S473-S475 WeakPolarHBondContact OG-CB 3.22Å; S473-S475 PolarHBondContact OG-N 3.04Å; S473-S475 PolarHBondContact OG-OG 3.32Å; S475-F477 VanDerWaalsContact C-N 3.31Å; S475-F477 PolarHBondContact O-N 3.09Å; S475-T478 PolarHBondContact O-N 3.23Å; S475-E479 PolarHBondContact O-N 3.21Å
476G97.4Very high96.7Very high28 Ų2853 Ų5329%0.28929%0.291SS..Hα-helixtrans-62.8-31.6177.800000114.5G474 E480G474-G476 VanDerWaalsContact C-N 3.28Å; G474-G476 PolarHBondContact O-N 3.47Å; G474-G476 VanDerWaalsContact O-N 3.16Å; G476-E480 PolarHBondContact O-N 2.93Å
477F97.7Very high96.8Very high2 Ų252.5 Ų52.51%0.00929%0.289CS..Hα-helixtrans-73.9-47.2172161.1-99.5000111F61 V92 K95 L96 L446 F449 G474 S475 E479 E480 M481F61-F477 HydrophobicContact CE1-CE1 4.38Å; F61-F477 HydrophobicContact CE1-CE2 4.41Å; F61-F477 AromaticContact CE1-CZ 3.86Å; F61-F477 HydrophobicContact CE1-CZ 3.86Å; F61-F477 HydrophobicContact CZ-CZ 4.03Å; V92-F477 HydrophobicContact CG1-CD2 3.84Å; V92-F477 HydrophobicContact CG1-CE2 3.52Å; K95-F477 HydrophobicContact CB-CB 4.25Å; L96-F477 HydrophobicContact CD1-CD2 3.91Å; L96-F477 HydrophobicContact CD1-CE2 3.64Å; L96-F477 HydrophobicContact CD1-CZ 4.4Å; L96-F477 HydrophobicContact CD2-CB 4.1Å; L96-F477 HydrophobicContact CD2-CD1 4.23Å; L96-F477 HydrophobicContact CD2-CD2 3.47Å; L96-F477 VanDerWaalsContact CD2-CD2 3.47Å; L96-F477 HydrophobicContact CD2-CE2 3.86Å; L96-F477 HydrophobicContact CD2-CG 3.66Å; L96-F477 HydrophobicContact CD2-CZ 4.4Å; L96-F477 HydrophobicContact CG-CD2 3.49Å; L96-F477 VanDerWaalsContact CG-CD2 3.49Å; L96-F477 HydrophobicContact CG-CE2 3.79Å; L96-F477 HydrophobicContact CG-CG 4.18Å; L446-F477 HydrophobicContact CD2-CE1 4.08Å; F449-F477 HydrophobicContact CB-CD1 4.38Å; F449-F477 HydrophobicContact CB-CE1 3.61Å; F449-F477 HydrophobicContact CB-CZ 4.32Å; F449-F477 AromaticContact CD1-CD1 3.56Å; F449-F477 HydrophobicContact CD1-CD1 3.56Å; F449-F477 AromaticContact CD1-CE1 3.63Å; F449-F477 HydrophobicContact CD1-CE1 3.63Å; F449-F477 AromaticContact CD2-CD1 3.76Å; F449-F477 HydrophobicContact CD2-CD1 3.76Å; F449-F477 AromaticContact CD2-CE1 3.68Å; F449-F477 HydrophobicContact CD2-CE1 3.68Å; F449-F477 HydrophobicContact CD2-CZ 4.4Å; F449-F477 AromaticContact CE1-CD1 3.68Å; F449-F477 HydrophobicContact CE1-CD1 3.68Å; F449-F477 HydrophobicContact CE1-CE1 4.24Å; F449-F477 AromaticContact CE2-CD1 3.87Å; F449-F477 HydrophobicContact CE2-CD1 3.87Å; F449-F477 HydrophobicContact CE2-CE1 4.28Å; F449-F477 HydrophobicContact CE2-CG 4.41Å; F449-F477 AromaticContact CG-CD1 3.6Å; F449-F477 HydrophobicContact CG-CD1 3.6Å; F449-F477 AromaticContact CG-CE1 3.31Å; F449-F477 HydrophobicContact CG-CE1 3.31Å; F449-F477 HydrophobicContact CG-CZ 4.28Å; F449-F477 AromaticContact CZ-CD1 3.84Å; F449-F477 HydrophobicContact CZ-CD1 3.84Å; F449-F477 HydrophobicContact CZ-CG 4.47Å; G474-F477 WeakPolarHBondContact O-CB 3.24Å; G474-F477 PolarHBondContact O-N 2.91Å; S475-F477 VanDerWaalsContact C-N 3.31Å; S475-F477 PolarHBondContact O-N 3.09Å; F477-E479 VanDerWaalsContact C-N 3.3Å; F477-E479 PolarHBondContact O-N 3.48Å; F477-E480 PolarHBondContact O-N 2.82Å; F477-E480 VanDerWaalsContact O-N 3.08Å; F477-M481 HydrophobicContact CD1-CG 4.33Å; F477-M481 HydrophobicContact CD2-CG 3.97Å; F477-M481 HydrophobicContact CE1-CG 3.88Å; F477-M481 HydrophobicContact CE2-CG 3.51Å; F477-M481 HydrophobicContact CE2-SD 3.81Å; F477-M481 HydrophobicContact CG-CG 4.39Å; F477-M481 HydrophobicContact CZ-CE 4.1Å; F477-M481 HydrophobicContact CZ-CG 3.46Å; F477-M481 VanDerWaalsContact CZ-CG 3.46Å; F477-M481 HydrophobicContact CZ-SD 3.83Å; F477-M481 WeakPolarHBondContact O-CG 3.28Å; F477-M481 PolarHBondContact O-N 2.86Å
478T97.8Very high96.9Very high58 Ų5851.8 Ų51.836%0.35629%0.285SS..Hα-helixtrans-58.3-41.9178.5-55.80000112L446 G474 S475 E482L446-T478 HydrophobicContact CD2-CG2 4.08Å; G474-T478 PolarHBondContact O-N 3.08Å; G474-T478 VanDerWaalsContact O-N 3.16Å; G474-T478 PolarHBondContact O-OG1 3.28Å; S475-T478 PolarHBondContact O-N 3.23Å; T478-E482 PolarHBondContact O-N 2.93Å
479E98.3Very high97Very high110 Ų11048.9 Ų48.951%0.51426%0.262SS..Hα-helixtrans-60.7-45.1172.9-83.9-167.9-148.500112.8S475 F477 E482 K483S475-E479 PolarHBondContact O-N 3.21Å; F477-E479 VanDerWaalsContact C-N 3.3Å; F477-E479 PolarHBondContact O-N 3.48Å; E479-E482 PolarHBondContact O-N 3.19Å; E479-K483 WeakPolarHBondContact O-CB 3.19Å; E479-K483 WeakPolarHBondContact O-CD 3.47Å; E479-K483 WeakPolarHBondContact O-CG 3.5Å; E479-K483 PolarHBondContact O-N 2.87Å; E479-K483 WeakPolarHBondContact OE2-CE 3.4Å; E479-K483 IonicContact OE2-NZ 3.48Å; E479-K483 PolarHBondContact OE2-NZ 2.83Å
480E98.5Very high97.1Very high14 Ų1449.4 Ų49.47%0.06526%0.264CS..Hα-helixtrans-74-29.4-176.7-153.458.2-133.500112.3K88 D91 V92 K95 G476 F477 K483 T484K88-E480 WeakPolarHBondContact CD-OE1 3.48Å; K88-E480 VanDerWaalsContact CE-OE1 3.28Å; K88-E480 WeakPolarHBondContact CE-OE1 3.49Å; K88-E480 IonicContact NZ-OE1 3.53Å; K88-E480 PolarHBondContact NZ-OE1 2.9Å; D91-E480 HydrophobicContact CB-CG 3.87Å; V92-E480 HydrophobicContact CG2-CB 4.24Å; V92-E480 HydrophobicContact CG2-CG 4.14Å; K95-E480 HydrophobicContact CG-CB 4.13Å; K95-E480 HydrophobicContact CG-CG 4.45Å; G476-E480 PolarHBondContact O-N 2.93Å; F477-E480 PolarHBondContact O-N 2.82Å; F477-E480 VanDerWaalsContact O-N 3.08Å; E480-K483 PolarHBondContact O-N 2.95Å; E480-K483 WeakPolarHBondContact OE2-CD 3.49Å; E480-K483 IonicContact OE2-NZ 2.68Å; E480-K483 PolarHBondContact OE2-NZ 3.28Å; E480-T484 VanDerWaalsContact O-CB 3.25Å; E480-T484 WeakPolarHBondContact O-CB 3.35Å; E480-T484 PolarHBondContact O-N 3.09Å; E480-T484 PolarHBondContact O-OG1 3.4Å
481M98.4Very high97.3Very high0 Ų046.8 Ų46.80%025%0.245CC..Hα-helixtrans-58.3-52.6167-76.7-71.9-80.600111.4V65 L69 V92 F442 Q445 L446 F477 K483 T484 K485V65-M481 HydrophobicContact CG2-CE 4.38Å; V65-M481 HydrophobicContact CG2-SD 4.43Å; L69-M481 HydrophobicContact CD1-CE 4.3Å; L69-M481 HydrophobicContact CD1-SD 3.8Å; V92-M481 HydrophobicContact CG1-CG 4.24Å; V92-M481 HydrophobicContact CG1-SD 3.71Å; V92-M481 HydrophobicContact CG2-SD 4.22Å; F442-M481 HydrophobicContact CD1-CB 4.35Å; F442-M481 HydrophobicContact CD1-CE 3.61Å; F442-M481 HydrophobicContact CD1-SD 3.94Å; F442-M481 HydrophobicContact CE1-CE 4.2Å; F442-M481 WeakPolarHBondContact CE1-O 3.25Å; F442-M481 HydrophobicContact CE1-SD 3.98Å; F442-M481 HydrophobicContact CG-CE 4.39Å; Q445-M481 HydrophobicContact CB-CE 3.73Å; L446-M481 HydrophobicContact CD2-CB 3.98Å; L446-M481 HydrophobicContact CD2-CE 4.4Å; L446-M481 HydrophobicContact CD2-CG 4.06Å; L446-M481 HydrophobicContact CG-CE 4.14Å; F477-M481 HydrophobicContact CD1-CG 4.33Å; F477-M481 HydrophobicContact CD2-CG 3.97Å; F477-M481 HydrophobicContact CE1-CG 3.88Å; F477-M481 HydrophobicContact CE2-CG 3.51Å; F477-M481 HydrophobicContact CE2-SD 3.81Å; F477-M481 HydrophobicContact CG-CG 4.39Å; F477-M481 HydrophobicContact CZ-CE 4.1Å; F477-M481 HydrophobicContact CZ-CG 3.46Å; F477-M481 VanDerWaalsContact CZ-CG 3.46Å; F477-M481 HydrophobicContact CZ-SD 3.83Å; F477-M481 WeakPolarHBondContact O-CG 3.28Å; F477-M481 PolarHBondContact O-N 2.86Å; M481-K483 PolarHBondContact O-N 3.35Å; M481-T484 PolarHBondContact O-N 3.04Å; M481-K485 VanDerWaalsContact O-CB 3.31Å; M481-K485 WeakPolarHBondContact O-CB 3.38Å; M481-K485 PolarHBondContact O-N 2.8Å
482E98.2Very high97.6Very high79 Ų7940.5 Ų40.537%0.36922%0.216SC..Hα-helixtrans-67.3-35.7178.2-73.1-62.3128.900112.5T478 E479 T484 K485 K486T478-E482 PolarHBondContact O-N 2.93Å; E479-E482 PolarHBondContact O-N 3.19Å; E482-T484 VanDerWaalsContact C-N 3.31Å; E482-T484 PolarHBondContact O-N 3.46Å; E482-K485 VanDerWaalsContact OE1-CD 3.27Å; E482-K485 WeakPolarHBondContact OE1-CD 3.37Å; E482-K485 IonicContact OE1-NZ 3.68Å; E482-K485 PolarHBondContact OE1-NZ 3.1Å; E482-K485 WeakPolarHBondContact OE2-CD 3.22Å; E482-K485 IonicContact OE2-NZ 2.7Å; E482-K485 PolarHBondContact OE2-NZ 3.23Å; E482-K486 WeakPolarHBondContact O-CB 3.36Å; E482-K486 PolarHBondContact O-N 2.9Å
483K98.4Very high97.6Very high89 Ų8943.7 Ų43.739%0.38724%0.235SC..Hα-helixtrans-62-37.7171.9-69.6160.4-162.7162.50112E479 E480 M481E479-K483 WeakPolarHBondContact O-CB 3.19Å; E479-K483 WeakPolarHBondContact O-CD 3.47Å; E479-K483 WeakPolarHBondContact O-CG 3.5Å; E479-K483 PolarHBondContact O-N 2.87Å; E479-K483 WeakPolarHBondContact OE2-CE 3.4Å; E479-K483 IonicContact OE2-NZ 3.48Å; E479-K483 PolarHBondContact OE2-NZ 2.83Å; E480-K483 PolarHBondContact O-N 2.95Å; E480-K483 WeakPolarHBondContact OE2-CD 3.49Å; E480-K483 IonicContact OE2-NZ 2.68Å; E480-K483 PolarHBondContact OE2-NZ 3.28Å; M481-K483 PolarHBondContact O-N 3.35Å
484T98.5Very high97.7Very high0 Ų043.6 Ų43.60%023%0.226CC..Hα-helixtrans-72.8-50.3179.1-58.60000111.7Y85 K88 V89 V92 F442 E480 M481 E482 K486 V487Y85-T484 HydrophobicContact CD2-CG2 4.11Å; Y85-T484 HydrophobicContact CE2-CG2 3.86Å; K88-T484 HydrophobicContact CB-CG2 3.86Å; K88-T484 PolarHBondContact O-OG1 2.85Å; V89-T484 HydrophobicContact CG2-CG2 3.8Å; V92-T484 HydrophobicContact CG2-CG2 4.49Å; V92-T484 VanDerWaalsContact CG2-OG1 3.29Å; V92-T484 WeakPolarHBondContact CG2-OG1 3.41Å; F442-T484 HydrophobicContact CE1-CG2 4.12Å; F442-T484 HydrophobicContact CZ-CG2 3.9Å; E480-T484 VanDerWaalsContact O-CB 3.25Å; E480-T484 WeakPolarHBondContact O-CB 3.35Å; E480-T484 PolarHBondContact O-N 3.09Å; E480-T484 PolarHBondContact O-OG1 3.4Å; M481-T484 PolarHBondContact O-N 3.04Å; E482-T484 VanDerWaalsContact C-N 3.31Å; E482-T484 PolarHBondContact O-N 3.46Å; T484-K486 VanDerWaalsContact C-N 3.26Å; T484-K486 PolarHBondContact O-N 3.13Å; T484-V487 WeakPolarHBondContact O-CB 3.5Å; T484-V487 WeakPolarHBondContact O-CG2 3.36Å; T484-V487 PolarHBondContact O-N 2.86Å
485K98.4Very high97.5Very high52 Ų5243.8 Ų43.823%0.22623%0.227CC..Hα-helixtrans-51.1-45172-178.6-173.2171.2-162.40111.8E439 F442 M481 E482 V487 L488 T489E439-K485 HydrophobicContact CG-CG 4.14Å; F442-K485 HydrophobicContact CB-CD 3.95Å; F442-K485 HydrophobicContact CB-CG 4.27Å; F442-K485 HydrophobicContact CD1-CB 3.72Å; F442-K485 HydrophobicContact CD1-CD 4.49Å; F442-K485 HydrophobicContact CD1-CG 4.36Å; F442-K485 HydrophobicContact CD2-CB 4.07Å; F442-K485 HydrophobicContact CD2-CG 4.09Å; F442-K485 HydrophobicContact CE1-CB 3.88Å; F442-K485 HydrophobicContact CE2-CB 4.21Å; F442-K485 HydrophobicContact CG-CB 3.83Å; F442-K485 HydrophobicContact CG-CD 4.13Å; F442-K485 HydrophobicContact CG-CG 3.97Å; F442-K485 HydrophobicContact CZ-CB 4.13Å; M481-K485 VanDerWaalsContact O-CB 3.31Å; M481-K485 WeakPolarHBondContact O-CB 3.38Å; M481-K485 PolarHBondContact O-N 2.8Å; E482-K485 VanDerWaalsContact OE1-CD 3.27Å; E482-K485 WeakPolarHBondContact OE1-CD 3.37Å; E482-K485 IonicContact OE1-NZ 3.68Å; E482-K485 PolarHBondContact OE1-NZ 3.1Å; E482-K485 WeakPolarHBondContact OE2-CD 3.22Å; E482-K485 IonicContact OE2-NZ 2.7Å; E482-K485 PolarHBondContact OE2-NZ 3.23Å; K485-V487 PolarHBondContact O-N 3.48Å; K485-V487 VanDerWaalsContact O-N 3.08Å; K485-L488 WeakPolarHBondContact O-CA 3.39Å; K485-L488 VanDerWaalsContact O-CB 3.3Å; K485-L488 WeakPolarHBondContact O-CB 3.48Å; K485-L488 PolarHBondContact O-N 2.82Å; K485-T489 PolarHBondContact O-N 3.25Å; K485-T489 VanDerWaalsContact O-N 3.12Å; K485-T489 PolarHBondContact O-OG1 3.4Å
486K98.1Very high97Very high129 Ų12943.9 Ų43.956%0.56123%0.232SC*.Hα-helixtrans-61.4-15.9176.4-170.5167.4-174.5171.90113.8E482 T484 N490E482-K486 WeakPolarHBondContact O-CB 3.36Å; E482-K486 PolarHBondContact O-N 2.9Å; T484-K486 VanDerWaalsContact C-N 3.26Å; T484-K486 PolarHBondContact O-N 3.13Å; K486-N490 VanDerWaalsContact O-CB 3.26Å; K486-N490 WeakPolarHBondContact O-CB 3.2Å; K486-N490 PolarHBondContact O-N 2.74Å; K486-N490 VanDerWaalsContact O-N 3.12Å; K486-N490 PolarHBondContact O-ND2 2.73Å
487V98.5Very high96.6Very high10 Ų1046.1 Ų46.16%0.06124%0.24CC..Hα-helixtrans-68.2-42.1167.7-174.60000110.6R81 K84 Y85 K88 T484 K485 T491R81-V487 PolarHBondContact NH2-O 3.33Å; R81-V487 VanDerWaalsContact NH2-O 3.16Å; K84-V487 HydrophobicContact CG-CG1 4.25Å; Y85-V487 HydrophobicContact CD2-CB 4.41Å; K88-V487 HydrophobicContact CB-CG2 4.44Å; K88-V487 HydrophobicContact CG-CG2 4.21Å; T484-V487 WeakPolarHBondContact O-CB 3.5Å; T484-V487 WeakPolarHBondContact O-CG2 3.36Å; T484-V487 PolarHBondContact O-N 2.86Å; K485-V487 PolarHBondContact O-N 3.48Å; K485-V487 VanDerWaalsContact O-N 3.08Å; V487-T491 PolarHBondContact O-N 3.22Å; V487-T491 PolarHBondContact O-OG1 2.9Å
488L98.4Very high96.1Very high0 Ų047.3 Ų47.30%025%0.245CC..Hα-helixtrans-66.6-52.4175.3-55.8172.7000110.5I72 F77 Y85 L435 A438 E439 F442 K485 N490 T491 K492I72-L488 HydrophobicContact CD1-CD2 4.4Å; F77-L488 HydrophobicContact CE1-CD2 4Å; Y85-L488 HydrophobicContact CD2-CD1 4.33Å; Y85-L488 HydrophobicContact CD2-CD2 3.59Å; Y85-L488 HydrophobicContact CD2-CG 3.74Å; Y85-L488 HydrophobicContact CE2-CD1 3.68Å; Y85-L488 HydrophobicContact CE2-CD2 3.7Å; Y85-L488 HydrophobicContact CE2-CG 3.62Å; Y85-L488 HydrophobicContact CG-CD2 4.08Å; L435-L488 HydrophobicContact CD2-CD2 3.86Å; A438-L488 HydrophobicContact CB-CD1 3.75Å; A438-L488 HydrophobicContact CB-CD2 4.45Å; E439-L488 HydrophobicContact CB-CD1 4.12Å; F442-L488 HydrophobicContact CE2-CD1 3.84Å; K485-L488 WeakPolarHBondContact O-CA 3.39Å; K485-L488 VanDerWaalsContact O-CB 3.3Å; K485-L488 WeakPolarHBondContact O-CB 3.48Å; K485-L488 PolarHBondContact O-N 2.82Å; L488-N490 PolarHBondContact O-N 3.42Å; L488-T491 WeakPolarHBondContact O-CB 3.03Å; L488-T491 PolarHBondContact O-N 3.48Å; L488-K492 PolarHBondContact O-N 2.93Å
489T97.9Very high95.1Very high50 Ų5048.1 Ų48.131%0.30725%0.247SC..Hα-helixtrans-55.3-49.5-178.5-32.40000111.7E439 K485 T491 K492 T493E439-T489 VanDerWaalsContact OE1-CB 3.29Å; E439-T489 WeakPolarHBondContact OE1-CB 3.44Å; E439-T489 WeakPolarHBondContact OE1-CG2 3.22Å; E439-T489 PolarHBondContact OE1-OG1 3.27Å; K485-T489 PolarHBondContact O-N 3.25Å; K485-T489 VanDerWaalsContact O-N 3.12Å; K485-T489 PolarHBondContact O-OG1 3.4Å; T489-T491 VanDerWaalsContact C-N 3.31Å; T489-T491 PolarHBondContact O-N 2.82Å; T489-K492 PolarHBondContact O-N 2.7Å; T489-T493 PolarHBondContact O-N 3.04Å; T489-T493 PolarHBondContact O-OG1 2.68Å; T489-T493 VanDerWaalsContact O-OG1 3.11Å
490N98.2Very high94.2Very high54 Ų5445.6 Ų45.629%0.28925%0.251SS..Hα-helixtrans-59.3-41.2176.6-79.3-44.3000112.1K486 L488 T493 W494K486-N490 VanDerWaalsContact O-CB 3.26Å; K486-N490 WeakPolarHBondContact O-CB 3.2Å; K486-N490 PolarHBondContact O-N 2.74Å; K486-N490 VanDerWaalsContact O-N 3.12Å; K486-N490 PolarHBondContact O-ND2 2.73Å; L488-N490 PolarHBondContact O-N 3.42Å; N490-T493 PolarHBondContact O-N 3.34Å; N490-W494 HydrophobicContact CB-CD2 4.4Å; N490-W494 HydrophobicContact CB-CE3 4.41Å; N490-W494 HydrophobicContact CB-CH2 3.9Å; N490-W494 HydrophobicContact CB-CZ2 3.84Å; N490-W494 HydrophobicContact CB-CZ3 4.2Å; N490-W494 WeakPolarHBondContact O-CB 3.28Å; N490-W494 VanDerWaalsContact O-CD2 3.25Å; N490-W494 PolarHBondContact O-N 3.1Å
491T97.6Very high93.3Very high0 Ų048.9 Ų48.90%027%0.265CS..Hα-helixtrans-63.7-45179.3-49.30000110.3R81 V421 I430 L435 V487 L488 T489 T493 W494 M495R81-T491 HydrophobicContact CB-CG2 4.29Å; R81-T491 HydrophobicContact CG-CG2 4.1Å; R81-T491 PolarHBondContact NE-OG1 2.78Å; R81-T491 PolarHBondContact NH2-OG1 3.02Å; V421-T491 HydrophobicContact CG1-CG2 4.35Å; I430-T491 HydrophobicContact CD1-CG2 4.21Å; I430-T491 HydrophobicContact CG2-CG2 3.99Å; L435-T491 HydrophobicContact CD1-CG2 3.8Å; V487-T491 PolarHBondContact O-N 3.22Å; V487-T491 PolarHBondContact O-OG1 2.9Å; L488-T491 WeakPolarHBondContact O-CB 3.03Å; L488-T491 PolarHBondContact O-N 3.48Å; T489-T491 VanDerWaalsContact C-N 3.31Å; T489-T491 PolarHBondContact O-N 2.82Å; T491-T493 PolarHBondContact O-N 2.98Å; T491-W494 PolarHBondContact O-N 3.34Å; T491-M495 HydrophobicContact CG2-CG 4.45Å; T491-M495 WeakPolarHBondContact O-CB 3.25Å; T491-M495 VanDerWaalsContact O-CG 3.24Å; T491-M495 WeakPolarHBondContact O-CG 3.26Å; T491-M495 PolarHBondContact O-N 3.16Å
492K96.5Very high92.1Very high48 Ų4858.3 Ų58.321%0.20931%0.306CS..Hα-helixtrans-57.8-46.4173.7-70.8169.851.5172.30112.1L435 T436 E439 L488 T489 W494 M495 A496L435-K492 HydrophobicContact CB-CD 3.9Å; L435-K492 HydrophobicContact CB-CG 3.85Å; L435-K492 HydrophobicContact CD1-CG 3.89Å; T436-K492 VanDerWaalsContact OG1-CE 3.25Å; T436-K492 WeakPolarHBondContact OG1-CE 2.72Å; T436-K492 PolarHBondContact OG1-NZ 3.1Å; E439-K492 WeakPolarHBondContact OE2-CE 3.41Å; E439-K492 IonicContact OE2-NZ 2.64Å; E439-K492 PolarHBondContact OE2-NZ 3.01Å; L488-K492 PolarHBondContact O-N 2.93Å; T489-K492 PolarHBondContact O-N 2.7Å; K492-W494 PolarHBondContact O-N 3.4Å; K492-M495 PolarHBondContact O-N 2.97Å; K492-A496 PolarHBondContact O-N 3.43Å
493T96.2Very high90.6Very high76 Ų7657.5 Ų57.547%0.46631%0.309SS..Hα-helixtrans-61.2-42.1176.7-55.50000112.3T489 N490 T491 A496 T497T489-T493 PolarHBondContact O-N 3.04Å; T489-T493 PolarHBondContact O-OG1 2.68Å; T489-T493 VanDerWaalsContact O-OG1 3.11Å; N490-T493 PolarHBondContact O-N 3.34Å; T491-T493 PolarHBondContact O-N 2.98Å; T493-A496 PolarHBondContact O-N 3.08Å; T493-T497 WeakPolarHBondContact O-CB 3.29Å; T493-T497 PolarHBondContact O-N 3.31Å; T493-T497 PolarHBondContact O-OG1 2.95Å
494W96.4Very high89.2Confident53 Ų5355.6 Ų55.620%0.20131%0.307CS..Hα-helixtrans-74.7-33.3-179.4-58.5-25.3000113T420 V421 K422 N490 T491 K492 T497 F498T420-W494 WeakPolarHBondContact O-CB 3.47Å; V421-W494 VanDerWaalsContact O-CE3 3.23Å; K422-W494 HydrophobicContact CB-CE3 4.39Å; K422-W494 HydrophobicContact CB-CZ3 4.05Å; K422-W494 HydrophobicContact CD-CE3 4.34Å; K422-W494 HydrophobicContact CD-CH2 3.75Å; K422-W494 HydrophobicContact CD-CZ2 4.23Å; K422-W494 HydrophobicContact CD-CZ3 3.8Å; K422-W494 HydrophobicContact CG-CE3 4.21Å; K422-W494 HydrophobicContact CG-CH2 4.47Å; K422-W494 HydrophobicContact CG-CZ3 4.02Å; N490-W494 HydrophobicContact CB-CD2 4.4Å; N490-W494 HydrophobicContact CB-CE3 4.41Å; N490-W494 HydrophobicContact CB-CH2 3.9Å; N490-W494 HydrophobicContact CB-CZ2 3.84Å; N490-W494 HydrophobicContact CB-CZ3 4.2Å; N490-W494 WeakPolarHBondContact O-CB 3.28Å; N490-W494 VanDerWaalsContact O-CD2 3.25Å; N490-W494 PolarHBondContact O-N 3.1Å; T491-W494 PolarHBondContact O-N 3.34Å; K492-W494 PolarHBondContact O-N 3.4Å; W494-T497 WeakPolarHBondContact O-CB 3.24Å; W494-T497 PolarHBondContact O-N 3.48Å; W494-F498 PolarHBondContact O-N 2.8Å
495M91.1Very high88.2Confident4 Ų463.7 Ų63.72%0.0234%0.342CS..Hα-helixtrans-60.3-48.3168.1-71-66.9-74.100111F417 V421 I430 T432 T491 K492 T497 F498 N499 V631F417-M495 HydrophobicContact CE2-CE 4.37Å; F417-M495 HydrophobicContact CE2-SD 3.74Å; F417-M495 HydrophobicContact CZ-SD 4.31Å; V421-M495 HydrophobicContact CG1-CG 4.46Å; V421-M495 HydrophobicContact CG1-SD 4Å; V421-M495 HydrophobicContact CG2-SD 3.85Å; I430-M495 HydrophobicContact CB-CE 3.97Å; I430-M495 HydrophobicContact CB-SD 4.22Å; I430-M495 HydrophobicContact CD1-SD 4.14Å; I430-M495 HydrophobicContact CG2-CE 4.09Å; I430-M495 HydrophobicContact CG2-CG 4Å; I430-M495 HydrophobicContact CG2-SD 4.09Å; T432-M495 HydrophobicContact CG2-CB 3.81Å; T432-M495 HydrophobicContact CG2-CG 4.05Å; T491-M495 HydrophobicContact CG2-CG 4.45Å; T491-M495 WeakPolarHBondContact O-CB 3.25Å; T491-M495 VanDerWaalsContact O-CG 3.24Å; T491-M495 WeakPolarHBondContact O-CG 3.26Å; T491-M495 PolarHBondContact O-N 3.16Å; K492-M495 PolarHBondContact O-N 2.97Å; M495-T497 VanDerWaalsContact C-N 3.27Å; M495-T497 PolarHBondContact O-N 3.18Å; M495-F498 PolarHBondContact O-N 3.1Å; M495-F498 VanDerWaalsContact O-N 3.17Å; M495-N499 WeakPolarHBondContact O-CB 3.16Å; M495-N499 PolarHBondContact O-N 2.82Å; M495-N499 PolarHBondContact O-OD1 3.47Å; M495-V631 HydrophobicContact CE-CG2 3.78Å
496A86.6Confident87.2Confident65 Ų6562.5 Ų62.554%0.53734%0.342SS..Hα-helixtrans-60.3-36.7174.600000112.6K492 T493 N499 G500K492-A496 PolarHBondContact O-N 3.43Å; T493-A496 PolarHBondContact O-N 3.08Å; A496-N499 PolarHBondContact O-N 3.13Å; A496-G500 PolarHBondContact O-N 3.43Å; A496-G500 VanDerWaalsContact O-N 3.14Å
497T89.6Confident85.9Confident75 Ų7556.6 Ų56.646%0.4632%0.316SS..Hα-helixtrans-66.6-39.3175.8-54.70000112T420 T493 W494 M495T420-T497 HydrophobicContact CG2-CG2 3.77Å; T493-T497 WeakPolarHBondContact O-CB 3.29Å; T493-T497 PolarHBondContact O-N 3.31Å; T493-T497 PolarHBondContact O-OG1 2.95Å; W494-T497 WeakPolarHBondContact O-CB 3.24Å; W494-T497 PolarHBondContact O-N 3.48Å; M495-T497 VanDerWaalsContact C-N 3.27Å; M495-T497 PolarHBondContact O-N 3.18Å
498F86Confident84.7Confident27 Ų2758.9 Ų58.912%0.11833%0.333CS..Hα-helixtrans-66.8-47.8173.9175.3-104.2000111.4A413 D416 F417 T420 V421 W494 M495 G500 K501 V631A413-F498 WeakPolarHBondContact O-CE2 3.48Å; D416-F498 HydrophobicContact CB-CD2 4.43Å; D416-F498 HydrophobicContact CB-CE2 4.09Å; F417-F498 HydrophobicContact CB-CD2 4Å; F417-F498 HydrophobicContact CB-CE1 4.43Å; F417-F498 HydrophobicContact CB-CE2 3.61Å; F417-F498 HydrophobicContact CB-CZ 3.85Å; F417-F498 AromaticContact CD2-CD1 3.84Å; F417-F498 HydrophobicContact CD2-CD1 3.84Å; F417-F498 HydrophobicContact CD2-CD2 4.37Å; F417-F498 AromaticContact CD2-CE1 3.86Å; F417-F498 HydrophobicContact CD2-CE1 3.86Å; F417-F498 HydrophobicContact CD2-CE2 4.39Å; F417-F498 HydrophobicContact CD2-CG 4.1Å; F417-F498 HydrophobicContact CD2-CZ 4.14Å; F417-F498 HydrophobicContact CG-CZ 4.5Å; T420-F498 HydrophobicContact CG2-CB 4.32Å; V421-F498 HydrophobicContact CG2-CB 4.25Å; W494-F498 PolarHBondContact O-N 2.8Å; M495-F498 PolarHBondContact O-N 3.1Å; M495-F498 VanDerWaalsContact O-N 3.17Å; F498-G500 PolarHBondContact O-N 3.48Å; F498-G500 VanDerWaalsContact O-N 3.11Å; F498-K501 HydrophobicContact CD2-CD 4.33Å; F498-K501 WeakPolarHBondContact O-CB 3.5Å; F498-K501 PolarHBondContact O-N 3.45Å; F498-V631 HydrophobicContact CD1-CG1 4.12Å; F498-V631 HydrophobicContact CE1-CG1 3.83Å
499N77.2Confident84Confident76 Ų7662.5 Ų62.541%0.40636%0.358SS..Hα-helixtrans-61-22.2179.6-64.1-1.1000113.2M495 A496 V631M495-N499 WeakPolarHBondContact O-CB 3.16Å; M495-N499 PolarHBondContact O-N 2.82Å; M495-N499 PolarHBondContact O-OD1 3.47Å; A496-N499 PolarHBondContact O-N 3.13Å; N499-V631 VanDerWaalsContact OD1-CG1 3.27Å; N499-V631 WeakPolarHBondContact OD1-CG1 3.31Å
500G80.3Confident83Confident57 Ų5760.3 Ų60.359%0.58835%0.345SS*.THydrogen-bonded Turntrans-79.4-7.4173.600000115.5A496 F498A496-G500 PolarHBondContact O-N 3.43Å; A496-G500 VanDerWaalsContact O-N 3.14Å; F498-G500 PolarHBondContact O-N 3.48Å; F498-G500 VanDerWaalsContact O-N 3.11Å
501K78.8Confident82.1Confident83 Ų8358.2 Ų58.236%0.36133%0.333SS..PPolyproline II helixtrans-73.2139.2179.3-68.1-175.2176.5-178.70111.2D416 T420 F498D416-K501 HydrophobicContact CB-CD 3.99Å; D416-K501 VanDerWaalsContact CG-NZ 3.35Å; D416-K501 PolarHBondContact O-NZ 3.02Å; D416-K501 IonicContact OD1-NZ 3Å; D416-K501 PolarHBondContact OD1-NZ 3Å; T420-K501 WeakPolarHBondContact OG1-CE 3.46Å; T420-K501 PolarHBondContact OG1-NZ 2.74Å; F498-K501 HydrophobicContact CD2-CD 4.33Å; F498-K501 WeakPolarHBondContact O-CB 3.5Å; F498-K501 PolarHBondContact O-N 3.45Å
502K72.8Confident81.3Confident198 Ų19861.8 Ų61.886%0.86136%0.358SS*.PPolyproline II helixtrans-97.2133.7-179.9-63.5178.2-177.71750110.6
503S67.5Low80.9Confident61 Ų6162 Ų6243%0.42736%0.36SS..PPolyproline II helixtrans-64154.8172.5-43.50000112.3V635S503-V635 VanDerWaalsContact OG-CG1 3.31Å; S503-V635 WeakPolarHBondContact OG-CG1 3.37Å
504S68.9Low80.1Confident50 Ų5058.4 Ų58.435%0.3534%0.338SS..PPolyproline II helixtrans-65151172.8-177.20000112.6E409 A506E409-S504 WeakPolarHBondContact OE1-CB 3.37Å; E409-S504 WeakPolarHBondContact OE2-CB 3.46Å; E409-S504 PolarHBondContact OE2-N 3.14Å; S504-A506 WeakPolarHBondContact OG-CB 3.49Å; S504-A506 PolarHBondContact OG-N 3.37Å; S504-A506 VanDerWaalsContact OG-N 3.13Å
505K77.4Confident79.4Confident169 Ų16959 Ų5974%0.73534%0.342SS*.SBendtrans-86.2-7.4171.4-66.6-173.2177.6-176.50113.3I507 S508 S509K505-I507 PolarHBondContact O-N 3.24Å; K505-S508 PolarHBondContact O-N 2.89Å; K505-S508 VanDerWaalsContact O-N 3.1Å; K505-S508 PolarHBondContact O-OG 3.46Å; K505-S509 PolarHBondContact O-N 3.14Å
506A76.5Confident79.2Confident27 Ų2761.2 Ų61.222%0.22336%0.361CS..Hα-helixtrans-50.4-55.7-171.400000113.1S504 S508 S509 I510S504-A506 WeakPolarHBondContact OG-CB 3.49Å; S504-A506 PolarHBondContact OG-N 3.37Å; S504-A506 VanDerWaalsContact OG-N 3.13Å; A506-S508 VanDerWaalsContact C-N 3.33Å; A506-S508 PolarHBondContact O-N 3.11Å; A506-S509 WeakPolarHBondContact O-CA 3.33Å; A506-S509 VanDerWaalsContact O-CB 3.31Å; A506-S509 WeakPolarHBondContact O-CB 3.41Å; A506-S509 PolarHBondContact O-N 3.33Å; A506-I510 WeakPolarHBondContact O-CG1 3.3Å; A506-I510 PolarHBondContact O-N 2.91Å
507I71.6Confident79.3Confident5 Ų560 Ų603%0.02634%0.344CS..Hα-helixtrans-57.9-44.8180-51.6170000111Q405 L406 K505 S509 I510 L511Q405-I507 HydrophobicContact CB-CG1 4.12Å; L406-I507 HydrophobicContact CB-CD1 3.94Å; L406-I507 HydrophobicContact CD1-CD1 3.8Å; L406-I507 HydrophobicContact CG-CD1 4.5Å; K505-I507 PolarHBondContact O-N 3.24Å; I507-S509 VanDerWaalsContact C-N 3.27Å; I507-S509 PolarHBondContact O-N 2.98Å; I507-I510 PolarHBondContact O-N 3.41Å; I507-L511 HydrophobicContact CG2-CD1 4.19Å; I507-L511 HydrophobicContact CG2-CG 4.45Å; I507-L511 WeakPolarHBondContact O-CG 3.43Å; I507-L511 PolarHBondContact O-N 3.04Å
508S74.2Confident79Confident59 Ų5956.7 Ų56.741%0.41332%0.323SS..Hα-helixtrans-63.4-33.2178.3740000112.8K505 A506 S512K505-S508 PolarHBondContact O-N 2.89Å; K505-S508 VanDerWaalsContact O-N 3.1Å; K505-S508 PolarHBondContact O-OG 3.46Å; A506-S508 VanDerWaalsContact C-N 3.33Å; A506-S508 PolarHBondContact O-N 3.11Å; S508-S512 VanDerWaalsContact O-CB 3.32Å; S508-S512 WeakPolarHBondContact O-CB 3.28Å; S508-S512 PolarHBondContact O-N 3.42Å; S508-S512 VanDerWaalsContact O-N 3.09Å; S508-S512 PolarHBondContact O-OG 3.5Å
509S82Confident78.9Confident75 Ų7563.4 Ų63.452%0.52435%0.348SS..Hα-helixtrans-69-47.6175.9-167.60000111.5K505 A506 I507 L511 S512 Q513K505-S509 PolarHBondContact O-N 3.14Å; A506-S509 WeakPolarHBondContact O-CA 3.33Å; A506-S509 VanDerWaalsContact O-CB 3.31Å; A506-S509 WeakPolarHBondContact O-CB 3.41Å; A506-S509 PolarHBondContact O-N 3.33Å; I507-S509 VanDerWaalsContact C-N 3.27Å; I507-S509 PolarHBondContact O-N 2.98Å; S509-L511 PolarHBondContact O-N 3.04Å; S509-S512 PolarHBondContact O-N 2.97Å; S509-Q513 PolarHBondContact O-N 3.48Å
510I78.5Confident79.4Confident5 Ų561.6 Ų61.63%0.02634%0.341CS..Hα-helixtrans-57.1-51.8176.8-63.2167.1000110.1N398 D401 A402 Q405 A506 I507 S512 Q513 Q514N398-I510 HydrophobicContact CB-CG2 3.84Å; N398-I510 WeakPolarHBondContact O-CG2 3.5Å; D401-I510 HydrophobicContact CB-CD1 4.35Å; A402-I510 HydrophobicContact CB-CD1 4.47Å; A402-I510 HydrophobicContact CB-CG2 4.07Å; Q405-I510 HydrophobicContact CG-CD1 4.24Å; A506-I510 WeakPolarHBondContact O-CG1 3.3Å; A506-I510 PolarHBondContact O-N 2.91Å; I507-I510 PolarHBondContact O-N 3.41Å; I510-S512 VanDerWaalsContact C-N 3.26Å; I510-S512 PolarHBondContact O-N 3.47Å; I510-Q513 WeakPolarHBondContact O-CB 3.44Å; I510-Q513 PolarHBondContact O-N 3.12Å; I510-Q514 HydrophobicContact CG2-CG 4.43Å; I510-Q514 WeakPolarHBondContact O-CG 3.28Å; I510-Q514 PolarHBondContact O-N 3.49Å
511L77.8Confident79.7Confident9 Ų959.3 Ų59.35%0.04732%0.316CS..Hα-helixtrans-62.2-32.8180-66.8-178000113I507 S509 K515 L643 T646I507-L511 HydrophobicContact CG2-CD1 4.19Å; I507-L511 HydrophobicContact CG2-CG 4.45Å; I507-L511 WeakPolarHBondContact O-CG 3.43Å; I507-L511 PolarHBondContact O-N 3.04Å; S509-L511 PolarHBondContact O-N 3.04Å; L511-K515 WeakPolarHBondContact O-CB 3.47Å; L511-K515 VanDerWaalsContact O-CG 3.24Å; L511-K515 WeakPolarHBondContact O-CG 3.3Å; L511-K515 PolarHBondContact O-N 2.8Å; L511-L643 HydrophobicContact CD1-CB 4.28Å; L511-L643 HydrophobicContact CD1-CD1 4.11Å; L511-L643 HydrophobicContact CD2-CD1 3.67Å; L511-L643 HydrophobicContact CG-CD1 4.3Å; L511-T646 HydrophobicContact CB-CG2 4.44Å; L511-T646 HydrophobicContact CD2-CG2 3.7Å; L511-T646 HydrophobicContact CG-CG2 4.45Å
512S82Confident79.8Confident76 Ų7660.4 Ų60.453%0.53132%0.32SS..Hα-helixtrans-72.4-40.9177.1-59.80000111.5S508 S509 I510 K515 A516S508-S512 VanDerWaalsContact O-CB 3.32Å; S508-S512 WeakPolarHBondContact O-CB 3.28Å; S508-S512 PolarHBondContact O-N 3.42Å; S508-S512 VanDerWaalsContact O-N 3.09Å; S508-S512 PolarHBondContact O-OG 3.5Å; S509-S512 PolarHBondContact O-N 2.97Å; I510-S512 VanDerWaalsContact C-N 3.26Å; I510-S512 PolarHBondContact O-N 3.47Å; S512-K515 PolarHBondContact O-N 3.24Å; S512-A516 PolarHBondContact O-N 3.45Å; S512-A516 VanDerWaalsContact O-N 3.07Å
513Q86.6Confident80.6Confident52 Ų5255.1 Ų55.124%0.24331%0.308CS..Hα-helixtrans-61.9-48.1173.8-168.5-168.225.500111.1N398 S509 I510 K515 A516 Q517 F543N398-Q513 PolarHBondContact ND2-OE1 3.09Å; S509-Q513 PolarHBondContact O-N 3.48Å; I510-Q513 WeakPolarHBondContact O-CB 3.44Å; I510-Q513 PolarHBondContact O-N 3.12Å; Q513-K515 PolarHBondContact O-N 2.56Å; Q513-A516 WeakPolarHBondContact O-CB 3.38Å; Q513-A516 PolarHBondContact O-N 2.84Å; Q513-A516 VanDerWaalsContact O-N 3.11Å; Q513-Q517 PolarHBondContact O-N 3.16Å; Q513-Q517 VanDerWaalsContact O-N 3.15Å; Q513-F543 HydrophobicContact CG-CD2 4.22Å; Q513-F543 HydrophobicContact CG-CE2 4.02Å
514Q79.9Confident81.5Confident0 Ų052.4 Ų52.40%029%0.289CS..Hα-helixtrans-58.4-48.4176.3-65.7-178.6-49.300111.3L395 N398 Y399 I510 A516 Q517 I518L395-Q514 HydrophobicContact CD2-CB 3.86Å; L395-Q514 HydrophobicContact CD2-CG 3.82Å; L395-Q514 PolarHBondContact O-NE2 3.47Å; L395-Q514 VanDerWaalsContact O-NE2 3.16Å; N398-Q514 HydrophobicContact CB-CG 3.92Å; Y399-Q514 VanDerWaalsContact CE1-CD 3.49Å; Y399-Q514 VanDerWaalsContact CZ-NE2 3.35Å; I510-Q514 HydrophobicContact CG2-CG 4.43Å; I510-Q514 WeakPolarHBondContact O-CG 3.28Å; I510-Q514 PolarHBondContact O-N 3.49Å; Q514-A516 PolarHBondContact O-N 3.4Å; Q514-Q517 PolarHBondContact O-N 3.24Å; Q514-Q517 VanDerWaalsContact O-N 3.11Å; Q514-I518 HydrophobicContact CB-CD1 4.3Å; Q514-I518 WeakPolarHBondContact O-CD1 3.45Å; Q514-I518 VanDerWaalsContact O-CG1 3.28Å; Q514-I518 WeakPolarHBondContact O-CG1 3.31Å; Q514-I518 PolarHBondContact O-N 3.47Å
515K81.4Confident81.8Confident67 Ų6753 Ų5329%0.29130%0.297SS..Hα-helixtrans-60.2-24.8176.4-77.2171.6178.91640113.5L511 S512 Q513 R519 T646L511-K515 WeakPolarHBondContact O-CB 3.47Å; L511-K515 VanDerWaalsContact O-CG 3.24Å; L511-K515 WeakPolarHBondContact O-CG 3.3Å; L511-K515 PolarHBondContact O-N 2.8Å; S512-K515 PolarHBondContact O-N 3.24Å; Q513-K515 PolarHBondContact O-N 2.56Å; K515-R519 VanDerWaalsContact O-CG 3.32Å; K515-R519 WeakPolarHBondContact O-CG 3.22Å; K515-R519 PolarHBondContact O-NH1 3.37Å; K515-T646 HydrophobicContact CD-CG2 4.44Å; K515-T646 WeakPolarHBondContact CE-OG1 3.44Å; K515-T646 HydrophobicContact CG-CG2 4.46Å; K515-T646 PolarHBondContact NZ-OG1 2.83Å
516A86.9Confident81.9Confident49 Ų4949 Ų4941%0.40530%0.303SS..Hα-helixtrans-74.3-48.417200000111.3S512 Q513 Q514 I518 R519 S520S512-A516 PolarHBondContact O-N 3.45Å; S512-A516 VanDerWaalsContact O-N 3.07Å; Q513-A516 WeakPolarHBondContact O-CB 3.38Å; Q513-A516 PolarHBondContact O-N 2.84Å; Q513-A516 VanDerWaalsContact O-N 3.11Å; Q514-A516 PolarHBondContact O-N 3.4Å; A516-I518 PolarHBondContact O-N 2.79Å; A516-R519 PolarHBondContact O-N 3.06Å; A516-S520 PolarHBondContact O-N 3.19Å
517Q89Confident82.2Confident41 Ų4151 Ų5119%0.19231%0.31CS..Hα-helixtrans-64.8-39.2-179.8-56.7-50.8-41.600112.7Y391 L395 Q513 Q514 R519 S520 L521 F543Y391-Q517 HydrophobicContact CD1-CB 4.27Å; Y391-Q517 HydrophobicContact CE1-CB 4.23Å; L395-Q517 HydrophobicContact CD2-CB 4.45Å; Q513-Q517 PolarHBondContact O-N 3.16Å; Q513-Q517 VanDerWaalsContact O-N 3.15Å; Q514-Q517 PolarHBondContact O-N 3.24Å; Q514-Q517 VanDerWaalsContact O-N 3.11Å; Q517-R519 VanDerWaalsContact C-N 3.26Å; Q517-R519 PolarHBondContact O-N 3.34Å; Q517-S520 WeakPolarHBondContact O-CA 3.35Å; Q517-S520 VanDerWaalsContact O-CB 3.28Å; Q517-S520 WeakPolarHBondContact O-CB 3.39Å; Q517-S520 PolarHBondContact O-N 3.07Å; Q517-L521 PolarHBondContact O-N 2.92Å; Q517-F543 HydrophobicContact CG-CB 4.21Å; Q517-F543 HydrophobicContact CG-CD1 3.93Å; Q517-F543 HydrophobicContact CG-CD2 3.51Å; Q517-F543 HydrophobicContact CG-CE1 4.19Å; Q517-F543 HydrophobicContact CG-CE2 3.78Å; Q517-F543 HydrophobicContact CG-CG 3.58Å; Q517-F543 HydrophobicContact CG-CZ 4.13Å
518I83.4Confident82.9Confident4 Ų453.8 Ų53.82%0.02133%0.33CS..Hα-helixtrans-63.3-33.5177.9-65.7156.8000111.3L395 Q514 A516 K522 N650 T653 F654L395-I518 HydrophobicContact CD1-CG1 4.43Å; L395-I518 HydrophobicContact CD2-CD1 4.49Å; L395-I518 HydrophobicContact CD2-CG1 4.36Å; Q514-I518 HydrophobicContact CB-CD1 4.3Å; Q514-I518 WeakPolarHBondContact O-CD1 3.45Å; Q514-I518 VanDerWaalsContact O-CG1 3.28Å; Q514-I518 WeakPolarHBondContact O-CG1 3.31Å; Q514-I518 PolarHBondContact O-N 3.47Å; A516-I518 PolarHBondContact O-N 2.79Å; I518-K522 HydrophobicContact CG2-CD 4.39Å; I518-K522 WeakPolarHBondContact O-CB 3.28Å; I518-K522 VanDerWaalsContact O-CG 3.3Å; I518-K522 WeakPolarHBondContact O-CG 3.42Å; I518-K522 PolarHBondContact O-N 3.31Å; I518-N650 HydrophobicContact CD1-CB 3.84Å; I518-T653 HydrophobicContact CG2-CG2 4.13Å; I518-F654 HydrophobicContact CD1-CE2 3.95Å; I518-F654 HydrophobicContact CD1-CZ 3.96Å; I518-F654 HydrophobicContact CG1-CE2 4.24Å; I518-F654 HydrophobicContact CG1-CZ 3.93Å
519R84.2Confident83.4Confident168 Ų16852.4 Ų52.463%0.63432%0.316SS*.Hα-helixtrans-68.4-39171.8-70.3176-172.4113.6-15.5112.1K515 A516 Q517 K522 S523K515-R519 VanDerWaalsContact O-CG 3.32Å; K515-R519 WeakPolarHBondContact O-CG 3.22Å; K515-R519 PolarHBondContact O-NH1 3.37Å; A516-R519 PolarHBondContact O-N 3.06Å; Q517-R519 VanDerWaalsContact C-N 3.26Å; Q517-R519 PolarHBondContact O-N 3.34Å; R519-K522 PolarHBondContact O-N 3.38Å; R519-S523 PolarHBondContact O-N 2.74Å; R519-S523 VanDerWaalsContact O-N 3.09Å
520S88.2Confident83.7Confident38 Ų3851.9 Ų51.927%0.26631%0.31SS..Hα-helixtrans-60.8-46.2174.4-165.20000111.7A516 Q517 K522 S523 I537A516-S520 PolarHBondContact O-N 3.19Å; Q517-S520 WeakPolarHBondContact O-CA 3.35Å; Q517-S520 VanDerWaalsContact O-CB 3.28Å; Q517-S520 WeakPolarHBondContact O-CB 3.39Å; Q517-S520 PolarHBondContact O-N 3.07Å; S520-K522 VanDerWaalsContact C-N 3.34Å; S520-K522 PolarHBondContact O-N 3.14Å; S520-S523 PolarHBondContact O-N 3.3Å; S520-S523 PolarHBondContact O-OG 3.45Å; S520-I537 WeakPolarHBondContact O-CD1 3.07Å
521L86.6Confident84.4Confident10 Ų1053.9 Ų53.95%0.05232%0.32CS..Hα-helixtrans-64.3-38.7175.8-64.8174.3000112.2E387 Y391 L395 Q517 S523 V524 A525 I537 Y538E387-L521 HydrophobicContact CG-CD2 4.1Å; Y391-L521 HydrophobicContact CD1-CD1 3.9Å; Y391-L521 HydrophobicContact CD1-CD2 3.68Å; Y391-L521 HydrophobicContact CD1-CG 3.83Å; Y391-L521 HydrophobicContact CD2-CD2 4.2Å; Y391-L521 HydrophobicContact CE1-CD2 4.09Å; Y391-L521 HydrophobicContact CE1-CG 4.32Å; Y391-L521 HydrophobicContact CG-CD1 4.2Å; Y391-L521 HydrophobicContact CG-CD2 3.73Å; Y391-L521 HydrophobicContact CG-CG 4.28Å; L395-L521 HydrophobicContact CD1-CD1 4.06Å; Q517-L521 PolarHBondContact O-N 2.92Å; L521-S523 VanDerWaalsContact C-N 3.3Å; L521-S523 PolarHBondContact O-N 3.15Å; L521-V524 WeakPolarHBondContact O-CG2 3.46Å; L521-V524 PolarHBondContact O-N 2.84Å; L521-A525 PolarHBondContact O-N 2.93Å; L521-I537 HydrophobicContact CD2-CG2 4.18Å; L521-Y538 HydrophobicContact CD2-CD1 4.14Å; L521-Y538 HydrophobicContact CD2-CE1 3.98Å
522K80.4Confident85.2Confident105 Ų10558.3 Ų58.346%0.45735%0.35SS..Hα-helixtrans-64.5-30177.3-78.2-178.2179.9-172.80113.3I518 R519 S520 V524 A525 T653I518-K522 HydrophobicContact CG2-CD 4.39Å; I518-K522 WeakPolarHBondContact O-CB 3.28Å; I518-K522 VanDerWaalsContact O-CG 3.3Å; I518-K522 WeakPolarHBondContact O-CG 3.42Å; I518-K522 PolarHBondContact O-N 3.31Å; R519-K522 PolarHBondContact O-N 3.38Å; S520-K522 VanDerWaalsContact C-N 3.34Å; S520-K522 PolarHBondContact O-N 3.14Å; K522-V524 PolarHBondContact O-N 3.44Å; K522-A525 PolarHBondContact O-N 3.2Å; K522-T653 HydrophobicContact CD-CG2 4.4Å; K522-T653 VanDerWaalsContact CE-CG2 3.44Å; K522-T653 WeakPolarHBondContact CE-OG1 3.44Å; K522-T653 HydrophobicContact CG-CG2 4Å; K522-T653 PolarHBondContact NZ-OG1 3.23Å; K522-T653 VanDerWaalsContact NZ-OG1 3.09Å
523S88.9Confident85.7Confident87 Ų8761 Ų6161%0.60835%0.352SS*.THydrogen-bonded Turntrans-69.4-11.9179.966.30000114.6R519 S520 L521R519-S523 PolarHBondContact O-N 2.74Å; R519-S523 VanDerWaalsContact O-N 3.09Å; S520-S523 PolarHBondContact O-N 3.3Å; S520-S523 PolarHBondContact O-OG 3.45Å; L521-S523 VanDerWaalsContact C-N 3.3Å; L521-S523 PolarHBondContact O-N 3.15Å
524V86.7Confident86Confident5 Ų558.6 Ų58.63%0.0334%0.34CS..THydrogen-bonded Turntrans-120.27.5176.4-64.30000113.4L521 K522 G526 L527 K533 I537 Y538L521-V524 WeakPolarHBondContact O-CG2 3.46Å; L521-V524 PolarHBondContact O-N 2.84Å; K522-V524 PolarHBondContact O-N 3.44Å; V524-G526 PolarHBondContact O-N 3.23Å; V524-L527 HydrophobicContact CB-CD1 4.1Å; V524-L527 HydrophobicContact CG1-CD1 3.92Å; V524-L527 PolarHBondContact O-N 3.08Å; V524-K533 HydrophobicContact CG1-CB 4.23Å; V524-I537 HydrophobicContact CB-CD1 4.47Å; V524-I537 HydrophobicContact CG1-CD1 3.59Å; V524-I537 HydrophobicContact CG2-CD1 4.02Å; V524-Y538 HydrophobicContact CG2-CE1 3.83Å
525A74.8Confident86.6Confident63 Ų6360.7 Ų60.752%0.52135%0.352SS..THydrogen-bonded Turntrans-65.4-13.3-171.700000115.4L521 K522L521-A525 PolarHBondContact O-N 2.93Å; K522-A525 PolarHBondContact O-N 3.2Å
526G79.4Confident87.3Confident83 Ų8364.5 Ų64.586%0.85637%0.37SS*.THydrogen-bonded Turntrans-1067.2173.200000115V524V524-G526 PolarHBondContact O-N 3.23Å
527L83.5Confident87.6Confident69 Ų6963.3 Ų63.336%0.36136%0.357SS..SBendtrans-97.8161.3178.4-59-178.7000111.2V524 D531 K533 S534V524-L527 HydrophobicContact CB-CD1 4.1Å; V524-L527 HydrophobicContact CG1-CD1 3.92Å; V524-L527 PolarHBondContact O-N 3.08Å; L527-D531 HydrophobicContact CB-CB 3.98Å; L527-D531 HydrophobicContact CD1-CB 4.42Å; L527-K533 HydrophobicContact CD1-CB 4.02Å; L527-K533 HydrophobicContact CD1-CD 4.21Å; L527-S534 WeakPolarHBondContact CB-OG 3.49Å
528S86.5Confident87.8Confident64 Ų6461.6 Ų61.645%0.44835%0.349SS..  trans-59.9147.8169.2-179.10000110.8T530 D531 S534S528-T530 PolarHBondContact O-N 3.27Å; S528-T530 VanDerWaalsContact O-N 3.16Å; S528-T530 PolarHBondContact OG-N 2.84Å; S528-T530 VanDerWaalsContact OG-N 3.11Å; S528-T530 PolarHBondContact OG-OG1 2.91Å; S528-D531 WeakPolarHBondContact O-CB 3.4Å; S528-D531 PolarHBondContact O-N 3.37Å; S528-S534 WeakPolarHBondContact O-CB 3.05Å; S528-S534 PolarHBondContact O-OG 2.67Å
529Y83.9Confident88.3Confident30 Ų3067 Ų6712%0.11837%0.374CS..THydrogen-bonded Turntrans-56.7-24.6166.5-83.7-81.6000112.9A383 I384 L535 Y538 L659A383-Y529 HydrophobicContact CB-CD1 4.18Å; A383-Y529 VanDerWaalsContact CB-O 3.26Å; A383-Y529 WeakPolarHBondContact CB-O 3.39Å; I384-Y529 HydrophobicContact CG1-CD1 3.74Å; I384-Y529 HydrophobicContact CG1-CD2 4.29Å; I384-Y529 HydrophobicContact CG1-CE1 3.67Å; I384-Y529 HydrophobicContact CG1-CE2 4.21Å; I384-Y529 HydrophobicContact CG1-CG 4.08Å; Y529-L535 WeakPolarHBondContact O-CD2 3.48Å; Y529-Y538 AromaticContact CD1-CD2 3.95Å; Y529-Y538 HydrophobicContact CD1-CD2 3.95Å; Y529-Y538 AromaticContact CD1-CE2 3.43Å; Y529-Y538 HydrophobicContact CD1-CE2 3.43Å; Y529-Y538 VanDerWaalsContact CD1-CE2 3.43Å; Y529-Y538 HydrophobicContact CE1-CD2 4.38Å; Y529-Y538 AromaticContact CE1-CE2 3.73Å; Y529-Y538 HydrophobicContact CE1-CE2 3.73Å; Y529-Y538 HydrophobicContact CG-CE2 4.31Å; Y529-L659 HydrophobicContact CE2-CD2 4.16Å; Y529-L659 WeakPolarHBondContact OH-CD2 3.41Å
530T89.9Confident88.9Confident65 Ų6562.7 Ų62.740%0.39936%0.364SS..THydrogen-bonded Turntrans-95.72.8177.2550000114.2V380 S528V380-T530 HydrophobicContact CG2-CG2 4.03Å; S528-T530 PolarHBondContact O-N 3.27Å; S528-T530 VanDerWaalsContact O-N 3.16Å; S528-T530 PolarHBondContact OG-N 2.84Å; S528-T530 VanDerWaalsContact OG-N 3.11Å; S528-T530 PolarHBondContact OG-OG1 2.91Å
531D93.3Very high89.3Confident46 Ų4667.4 Ų67.425%0.24638%0.379CS..SBendtrans-65.4137.4173.1-175.2-73.6000110.1L527 S528 K533 S534 L535L527-D531 HydrophobicContact CB-CB 3.98Å; L527-D531 HydrophobicContact CD1-CB 4.42Å; S528-D531 WeakPolarHBondContact O-CB 3.4Å; S528-D531 PolarHBondContact O-N 3.37Å; D531-K533 PolarHBondContact O-N 3.2Å; D531-K533 VanDerWaalsContact O-N 3.13Å; D531-K533 WeakPolarHBondContact OD1-CB 3.37Å; D531-K533 PolarHBondContact OD1-N 3.34Å; D531-S534 WeakPolarHBondContact O-CB 3.44Å; D531-S534 PolarHBondContact O-N 2.93Å; D531-L535 WeakPolarHBondContact O-CG 3.39Å; D531-L535 PolarHBondContact O-N 3.09Å
532P94.2Very high89.7Confident102 Ų10270 Ų7066%0.66240%0.402SS*.Hα-helixtrans-52.1-35.6179.4-29.436.5000114.7L535 E536P532-L535 PolarHBondContact O-N 3.48Å; P532-E536 WeakPolarHBondContact O-CB 3.36Å; P532-E536 PolarHBondContact O-N 3.37Å
533K92.2Very high90.4Very high134 Ų13465.3 Ų65.358%0.58338%0.382SS*.Hα-helixtrans-73.5-38.4178-60.1173.6-178.3172.80112V524 L527 D531 L535 I537V524-K533 HydrophobicContact CG1-CB 4.23Å; L527-K533 HydrophobicContact CD1-CB 4.02Å; L527-K533 HydrophobicContact CD1-CD 4.21Å; D531-K533 PolarHBondContact O-N 3.2Å; D531-K533 VanDerWaalsContact O-N 3.13Å; D531-K533 WeakPolarHBondContact OD1-CB 3.37Å; D531-K533 PolarHBondContact OD1-N 3.34Å; K533-L535 VanDerWaalsContact C-N 3.34Å; K533-I537 PolarHBondContact O-N 2.87Å
534S92.1Very high90.7Very high0 Ų064.2 Ų64.20%037%0.366CS..Hα-helixtrans-60.7-46.9171.7-63.20000110.4L527 S528 D531 I537 Y538L527-S534 WeakPolarHBondContact CB-OG 3.49Å; S528-S534 WeakPolarHBondContact O-CB 3.05Å; S528-S534 PolarHBondContact O-OG 2.67Å; D531-S534 WeakPolarHBondContact O-CB 3.44Å; D531-S534 PolarHBondContact O-N 2.93Å; S534-I537 PolarHBondContact O-N 3.22Å; S534-Y538 VanDerWaalsContact O-CB 3.32Å; S534-Y538 WeakPolarHBondContact O-CB 3.43Å; S534-Y538 VanDerWaalsContact O-CD2 3.28Å; S534-Y538 WeakPolarHBondContact O-CD2 3.32Å; S534-Y538 PolarHBondContact O-N 3.15Å
535L93.1Very high91.1Very high45 Ų4567.6 Ų67.624%0.23639%0.39CS..Hα-helixtrans-64.3-42.6179.2-66.6172.7000112.2A383 Y529 D531 P532 K533 I537 Y538 Q539A383-L535 HydrophobicContact CB-CD2 3.82Å; Y529-L535 WeakPolarHBondContact O-CD2 3.48Å; D531-L535 WeakPolarHBondContact O-CG 3.39Å; D531-L535 PolarHBondContact O-N 3.09Å; P532-L535 PolarHBondContact O-N 3.48Å; K533-L535 VanDerWaalsContact C-N 3.34Å; L535-I537 VanDerWaalsContact C-N 3.31Å; L535-I537 PolarHBondContact O-N 2.95Å; L535-Y538 PolarHBondContact O-N 3.2Å; L535-Q539 WeakPolarHBondContact O-CB 3.43Å; L535-Q539 VanDerWaalsContact O-CG 3.22Å; L535-Q539 WeakPolarHBondContact O-CG 3.43Å; L535-Q539 PolarHBondContact O-N 2.93Å
536E95.4Very high92Very high147 Ų14766.6 Ų66.669%0.68738%0.382SS*.Hα-helixtrans-56.2-43.6175.6-176.9-179.8-171.300112P532P532-E536 WeakPolarHBondContact O-CB 3.36Å; P532-E536 PolarHBondContact O-N 3.37Å
537I93Very high92.6Very high24 Ų2462.8 Ų62.812%0.12334%0.342CS..Hα-helixtrans-72.1-57.3175.8-63.1-177.8000110.4Y391 S520 L521 V524 K533 S534 L535 Q539 N540Y391-I537 HydrophobicContact CE2-CG2 4.36Å; Y391-I537 WeakPolarHBondContact CE2-O 3.34Å; Y391-I537 PolarHBondContact OH-O 3.35Å; S520-I537 WeakPolarHBondContact O-CD1 3.07Å; L521-I537 HydrophobicContact CD2-CG2 4.18Å; V524-I537 HydrophobicContact CB-CD1 4.47Å; V524-I537 HydrophobicContact CG1-CD1 3.59Å; V524-I537 HydrophobicContact CG2-CD1 4.02Å; K533-I537 PolarHBondContact O-N 2.87Å; S534-I537 PolarHBondContact O-N 3.22Å; L535-I537 VanDerWaalsContact C-N 3.31Å; L535-I537 PolarHBondContact O-N 2.95Å; I537-Q539 VanDerWaalsContact C-N 3.27Å; I537-Q539 PolarHBondContact O-N 3.38Å; I537-N540 WeakPolarHBondContact O-CB 3.46Å; I537-N540 PolarHBondContact O-N 2.87Å
538Y93.4Very high93Very high4 Ų463.3 Ų63.32%0.01635%0.348CS..Hα-helixtrans-62.7-30.4-171.3-59.4-20.8000113.3A386 E387 N390 L521 V524 Y529 S534 L535 N540 K657A386-Y538 CarbonylContact C-O 3.54Å; A386-Y538 WeakPolarHBondContact CB-O 3.08Å; E387-Y538 HydrophobicContact CB-CD1 3.91Å; E387-Y538 HydrophobicContact CB-CD2 4.32Å; E387-Y538 HydrophobicContact CB-CE1 4.38Å; E387-Y538 HydrophobicContact CB-CG 3.86Å; E387-Y538 HydrophobicContact CG-CD1 3.52Å; E387-Y538 HydrophobicContact CG-CE1 3.71Å; E387-Y538 HydrophobicContact CG-CG 4.03Å; E387-Y538 VanDerWaalsContact OE1-CE1 3.27Å; E387-Y538 WeakPolarHBondContact OE1-CE1 3.48Å; N390-Y538 PolarHBondContact ND2-O 3.15Å; L521-Y538 HydrophobicContact CD2-CD1 4.14Å; L521-Y538 HydrophobicContact CD2-CE1 3.98Å; V524-Y538 HydrophobicContact CG2-CE1 3.83Å; Y529-Y538 AromaticContact CD1-CD2 3.95Å; Y529-Y538 HydrophobicContact CD1-CD2 3.95Å; Y529-Y538 AromaticContact CD1-CE2 3.43Å; Y529-Y538 HydrophobicContact CD1-CE2 3.43Å; Y529-Y538 VanDerWaalsContact CD1-CE2 3.43Å; Y529-Y538 HydrophobicContact CE1-CD2 4.38Å; Y529-Y538 AromaticContact CE1-CE2 3.73Å; Y529-Y538 HydrophobicContact CE1-CE2 3.73Å; Y529-Y538 HydrophobicContact CG-CE2 4.31Å; S534-Y538 VanDerWaalsContact O-CB 3.32Å; S534-Y538 WeakPolarHBondContact O-CB 3.43Å; S534-Y538 VanDerWaalsContact O-CD2 3.28Å; S534-Y538 WeakPolarHBondContact O-CD2 3.32Å; S534-Y538 PolarHBondContact O-N 3.15Å; L535-Y538 PolarHBondContact O-N 3.2Å; Y538-N540 VanDerWaalsContact C-N 3.32Å; Y538-K657 PolarHBondContact OH-NZ 2.7Å
539Q94.8Very high93.3Very high119 Ų11968.3 Ų68.356%0.55636%0.362SS*.THydrogen-bonded Turntrans-80.3-8.2176-63.5-179.711.700113.8A386 L535 I537 K541A386-Q539 HydrophobicContact CB-CG 4.43Å; L535-Q539 WeakPolarHBondContact O-CB 3.43Å; L535-Q539 VanDerWaalsContact O-CG 3.22Å; L535-Q539 WeakPolarHBondContact O-CG 3.43Å; L535-Q539 PolarHBondContact O-N 2.93Å; I537-Q539 VanDerWaalsContact C-N 3.27Å; I537-Q539 PolarHBondContact O-N 3.38Å; Q539-K541 PolarHBondContact O-N 2.93Å
540N95.6Very high93.4Very high77 Ų7769.8 Ų69.841%0.41237%0.369SS..  trans-73109.1-175.7-169.1-25.6000112.3I537 Y538 A542I537-N540 WeakPolarHBondContact O-CB 3.46Å; I537-N540 PolarHBondContact O-N 2.87Å; Y538-N540 VanDerWaalsContact C-N 3.32Å; N540-A542 WeakPolarHBondContact OD1-CB 3.44Å; N540-A542 PolarHBondContact OD1-N 3.02Å
541K96.8Very high93.4Very high137 Ų13768 Ų6860%0.59636%0.357SS*.  trans-84-5.9-177.4-63.6171.5-172.4174.30113.9Q539 F543 K544 S545Q539-K541 PolarHBondContact O-N 2.93Å; K541-F543 PolarHBondContact O-N 3.28Å; K541-K544 WeakPolarHBondContact O-CB 3.29Å; K541-K544 PolarHBondContact O-N 3.32Å; K541-S545 PolarHBondContact O-N 3.38Å; K541-S545 PolarHBondContact O-OG 2.99Å
542A95.8Very high93.1Very high65 Ų6568 Ų6854%0.53736%0.36SS..Hα-helixtrans-61.4-41.5-171.700000112.9N540 A546N540-A542 WeakPolarHBondContact OD1-CB 3.44Å; N540-A542 PolarHBondContact OD1-N 3.02Å; A542-A546 PolarHBondContact O-N 3.34Å; A542-A546 VanDerWaalsContact O-N 3.09Å
543F94.7Very high92.4Very high6 Ų666.7 Ų66.73%0.02635%0.353CS..Hα-helixtrans-67.1-46.6176.4172.9-115.6000111.8N390 Y391 P394 L395 Q513 Q517 K541 S545 A546 V547N390-F543 WeakPolarHBondContact O-CD1 3.19Å; Y391-F543 HydrophobicContact CD1-CD1 4.31Å; P394-F543 HydrophobicContact CB-CD1 3.99Å; P394-F543 HydrophobicContact CB-CE1 3.54Å; P394-F543 HydrophobicContact CB-CZ 4.22Å; L395-F543 HydrophobicContact CD1-CE1 4.37Å; L395-F543 HydrophobicContact CD2-CE1 4.01Å; L395-F543 HydrophobicContact CD2-CZ 3.75Å; L395-F543 HydrophobicContact CG-CE1 3.68Å; L395-F543 HydrophobicContact CG-CZ 3.91Å; Q513-F543 HydrophobicContact CG-CD2 4.22Å; Q513-F543 HydrophobicContact CG-CE2 4.02Å; Q517-F543 HydrophobicContact CG-CB 4.21Å; Q517-F543 HydrophobicContact CG-CD1 3.93Å; Q517-F543 HydrophobicContact CG-CD2 3.51Å; Q517-F543 HydrophobicContact CG-CE1 4.19Å; Q517-F543 HydrophobicContact CG-CE2 3.78Å; Q517-F543 HydrophobicContact CG-CG 3.58Å; Q517-F543 HydrophobicContact CG-CZ 4.13Å; K541-F543 PolarHBondContact O-N 3.28Å; F543-S545 VanDerWaalsContact C-N 3.34Å; F543-S545 PolarHBondContact O-N 3.16Å; F543-A546 PolarHBondContact O-N 3.26Å; F543-A546 VanDerWaalsContact O-N 3.15Å; F543-V547 HydrophobicContact CD2-CG2 3.91Å; F543-V547 HydrophobicContact CE1-CG2 4.05Å; F543-V547 HydrophobicContact CE2-CG2 3.36Å; F543-V547 HydrophobicContact CG-CG2 4.48Å; F543-V547 HydrophobicContact CZ-CG2 3.43Å; F543-V547 VanDerWaalsContact CZ-CG2 3.43Å; F543-V547 WeakPolarHBondContact O-CG2 3.38Å; F543-V547 PolarHBondContact O-N 2.89Å
544K95.2Very high91.8Very high64 Ų6460.5 Ų60.528%0.27833%0.327SS..Hα-helixtrans-50.1-52.4172.2-177.8-179.3-169.1140.70112N389 P394 K541 A546 V547 T548N389-K544 VanDerWaalsContact O-CD 3.27Å; N389-K544 WeakPolarHBondContact O-CD 3.08Å; N389-K544 WeakPolarHBondContact O-CE 3.38Å; N389-K544 PolarHBondContact O-NZ 2.84Å; P394-K544 HydrophobicContact CG-CB 3.88Å; P394-K544 HydrophobicContact CG-CG 3.85Å; K541-K544 WeakPolarHBondContact O-CB 3.29Å; K541-K544 PolarHBondContact O-N 3.32Å; K544-A546 VanDerWaalsContact C-N 3.31Å; K544-A546 PolarHBondContact O-N 3.42Å; K544-V547 PolarHBondContact O-N 3.1Å; K544-T548 PolarHBondContact O-N 3.41Å; K544-T548 PolarHBondContact O-OG1 3.28Å
545S96.3Very high91.2Very high75 Ų7564.9 Ų64.952%0.52435%0.347SS..Hα-helixtrans-61.4-37.6-179.6-62.70000112.9K541 F543 K549K541-S545 PolarHBondContact O-N 3.38Å; K541-S545 PolarHBondContact O-OG 2.99Å; F543-S545 VanDerWaalsContact C-N 3.34Å; F543-S545 PolarHBondContact O-N 3.16Å; S545-K549 WeakPolarHBondContact O-CB 3.38Å; S545-K549 PolarHBondContact O-N 2.89Å
546A93Very high90.5Very high43 Ų4368 Ų6836%0.35536%0.361SS..Hα-helixtrans-66.1-44.717500000112A542 F543 K544 K549 Q550A542-A546 PolarHBondContact O-N 3.34Å; A542-A546 VanDerWaalsContact O-N 3.09Å; F543-A546 PolarHBondContact O-N 3.26Å; F543-A546 VanDerWaalsContact O-N 3.15Å; K544-A546 VanDerWaalsContact C-N 3.31Å; K544-A546 PolarHBondContact O-N 3.42Å; A546-K549 PolarHBondContact O-N 3.32Å; A546-Q550 PolarHBondContact O-N 3.47Å; A546-Q550 VanDerWaalsContact O-N 3.13Å
547V92.1Very high89.3Confident2 Ų264.5 Ų64.51%0.01234%0.343CS..Hα-helixtrans-64.7-47.2176.9175.80000111.4P394 T397 N398 F543 K544 K549 Q550 H551P394-V547 HydrophobicContact CB-CB 3.99Å; P394-V547 HydrophobicContact CB-CG1 4.14Å; P394-V547 HydrophobicContact CB-CG2 3.91Å; T397-V547 HydrophobicContact CG2-CG1 3.78Å; N398-V547 WeakPolarHBondContact OD1-CG2 3.44Å; F543-V547 HydrophobicContact CD2-CG2 3.91Å; F543-V547 HydrophobicContact CE1-CG2 4.05Å; F543-V547 HydrophobicContact CE2-CG2 3.36Å; F543-V547 HydrophobicContact CG-CG2 4.48Å; F543-V547 HydrophobicContact CZ-CG2 3.43Å; F543-V547 VanDerWaalsContact CZ-CG2 3.43Å; F543-V547 WeakPolarHBondContact O-CG2 3.38Å; F543-V547 PolarHBondContact O-N 2.89Å; K544-V547 PolarHBondContact O-N 3.1Å; V547-K549 VanDerWaalsContact C-N 3.29Å; V547-K549 PolarHBondContact O-N 2.95Å; V547-Q550 PolarHBondContact O-N 3.38Å; V547-Q550 VanDerWaalsContact O-N 3.08Å; V547-H551 WeakPolarHBondContact O-CB 3.48Å; V547-H551 PolarHBondContact O-N 2.77Å
548T92.7Very high88.1Confident80 Ų8065.6 Ų65.649%0.49135%0.348SS..Hα-helixtrans-56.6-44.2178.4-61.50000111.3K544 Q550 H551 S552K544-T548 PolarHBondContact O-N 3.41Å; K544-T548 PolarHBondContact O-OG1 3.28Å; T548-Q550 VanDerWaalsContact C-N 3.34Å; T548-Q550 PolarHBondContact O-N 2.79Å; T548-H551 PolarHBondContact O-N 3.01Å; T548-S552 PolarHBondContact O-N 3.01Å; T548-S552 VanDerWaalsContact O-N 3.1Å; T548-S552 PolarHBondContact O-OG 3.31Å; T548-S552 VanDerWaalsContact O-OG 3.1Å
549K90.9Very high87.1Confident170 Ų17071.3 Ų71.374%0.73938%0.375SS*.Hα-helixtrans-63.2-36.5176.9-177.1176178178.70113.1S545 A546 V547S545-K549 WeakPolarHBondContact O-CB 3.38Å; S545-K549 PolarHBondContact O-N 2.89Å; A546-K549 PolarHBondContact O-N 3.32Å; V547-K549 VanDerWaalsContact C-N 3.29Å; V547-K549 PolarHBondContact O-N 2.95Å
550Q87Confident85.8Confident60 Ų6071.9 Ų71.928%0.2837%0.372SS..Hα-helixtrans-70.1-49.8175.6-172.1-170-8900111.1N398 D401 A546 V547 T548 S552 S553N398-Q550 PolarHBondContact OD1-NE2 3.39Å; D401-Q550 PolarHBondContact OD2-NE2 2.87Å; A546-Q550 PolarHBondContact O-N 3.47Å; A546-Q550 VanDerWaalsContact O-N 3.13Å; V547-Q550 PolarHBondContact O-N 3.38Å; V547-Q550 VanDerWaalsContact O-N 3.08Å; T548-Q550 VanDerWaalsContact C-N 3.34Å; T548-Q550 PolarHBondContact O-N 2.79Å; Q550-S552 VanDerWaalsContact C-N 3.29Å; Q550-S552 PolarHBondContact O-N 2.92Å; Q550-S553 VanDerWaalsContact O-CB 3.24Å; Q550-S553 WeakPolarHBondContact O-CB 3.32Å; Q550-S553 PolarHBondContact O-N 2.96Å; Q550-S553 PolarHBondContact O-OG 2.89Å
551H89.3Confident83.9Confident29 Ų2970.3 Ų70.313%0.13436%0.362CS..Hα-helixtrans-60.2-35.5-176.5-17357000112.7T397 D401 V547 T548 S553 V554 Q555T397-H551 HydrophobicContact CG2-CB 3.81Å; T397-H551 VanDerWaalsContact CG2-CG 3.45Å; D401-H551 IonicContact OD1-CE1 2.71Å; D401-H551 IonicContact OD1-CG 3.15Å; D401-H551 IonicContact OD1-ND1 2.72Å; D401-H551 PolarHBondContact OD1-ND1 3.4Å; D401-H551 WeakPolarHBondContact OD2-CA 3.49Å; D401-H551 PolarHBondContact OD2-N 2.84Å; V547-H551 WeakPolarHBondContact O-CB 3.48Å; V547-H551 PolarHBondContact O-N 2.77Å; T548-H551 PolarHBondContact O-N 3.01Å; H551-S553 PolarHBondContact O-N 3.45Å; H551-S553 VanDerWaalsContact O-N 3.09Å; H551-V554 WeakPolarHBondContact O-CA 3.34Å; H551-V554 WeakPolarHBondContact O-CB 3.35Å; H551-V554 PolarHBondContact O-N 3.43Å; H551-Q555 WeakPolarHBondContact O-CG 3.45Å; H551-Q555 PolarHBondContact O-N 2.87Å
552S87.5Confident81.8Confident44 Ų4468.5 Ų68.531%0.30835%0.354SS..Hα-helixtrans-57-25.8172.7-60.50000113.7T548 Q550 Q556T548-S552 PolarHBondContact O-N 3.01Å; T548-S552 VanDerWaalsContact O-N 3.1Å; T548-S552 PolarHBondContact O-OG 3.31Å; T548-S552 VanDerWaalsContact O-OG 3.1Å; Q550-S552 VanDerWaalsContact C-N 3.29Å; Q550-S552 PolarHBondContact O-N 2.92Å; S552-Q556 WeakPolarHBondContact O-CB 3.48Å; S552-Q556 VanDerWaalsContact O-CG 3.23Å; S552-Q556 WeakPolarHBondContact O-CG 3.07Å; S552-Q556 PolarHBondContact O-N 3.12Å
553S80.5Confident79.7Confident75 Ų7570.3 Ų70.352%0.52435%0.352SS..Hα-helixtrans-76.3-28.7174.9-520000112.6Q550 H551 F557Q550-S553 VanDerWaalsContact O-CB 3.24Å; Q550-S553 WeakPolarHBondContact O-CB 3.32Å; Q550-S553 PolarHBondContact O-N 2.96Å; Q550-S553 PolarHBondContact O-OG 2.89Å; H551-S553 PolarHBondContact O-N 3.45Å; H551-S553 VanDerWaalsContact O-N 3.09Å; S553-F557 PolarHBondContact O-N 3.29Å
554V78.4Confident77.5Confident4 Ų474.1 Ų74.12%0.02437%0.372CS..Hα-helixtrans-73.5-48.3171.9172.20000109.9Y400 D401 H404 H551 Q556 F557 E558Y400-V554 HydrophobicContact CE1-CG1 4.15Å; D401-V554 HydrophobicContact CB-CG2 4.36Å; H404-V554 HydrophobicContact CB-CG1 4.03Å; H551-V554 WeakPolarHBondContact O-CA 3.34Å; H551-V554 WeakPolarHBondContact O-CB 3.35Å; H551-V554 PolarHBondContact O-N 3.43Å; V554-Q556 PolarHBondContact O-N 2.87Å; V554-F557 WeakPolarHBondContact O-CA 3.42Å; V554-F557 WeakPolarHBondContact O-CB 3.3Å; V554-F557 PolarHBondContact O-N 2.85Å; V554-E558 HydrophobicContact CG1-CG 4.34Å; V554-E558 WeakPolarHBondContact O-CG 3.42Å; V554-E558 PolarHBondContact O-N 2.96Å
555Q80.1Confident75Confident92 Ų9274.6 Ų74.643%0.4338%0.375SS..Hα-helixtrans-56.3-48.3176.4-64.4178.3-61.300111.5H551 F557 E558 E559H551-Q555 WeakPolarHBondContact O-CG 3.45Å; H551-Q555 PolarHBondContact O-N 2.87Å; Q555-F557 PolarHBondContact O-N 2.93Å; Q555-E558 PolarHBondContact O-N 3.2Å; Q555-E559 VanDerWaalsContact O-CB 3.27Å; Q555-E559 WeakPolarHBondContact O-CB 3.47Å; Q555-E559 PolarHBondContact O-N 3.3Å
556Q78Confident72.4Confident112 Ų11273.4 Ų73.452%0.52337%0.369SS..Hα-helixtrans-65.6-15.3174.5-74.51774.100114.2S552 V554 R560S552-Q556 WeakPolarHBondContact O-CB 3.48Å; S552-Q556 VanDerWaalsContact O-CG 3.23Å; S552-Q556 WeakPolarHBondContact O-CG 3.07Å; S552-Q556 PolarHBondContact O-N 3.12Å; V554-Q556 PolarHBondContact O-N 2.87Å; Q556-R560 VanDerWaalsContact O-CZ 3.29Å; Q556-R560 PolarHBondContact O-NE 3.44Å; Q556-R560 PolarHBondContact O-NH2 3.33Å
557F70.4Confident69.9Low72 Ų7277.2 Ų77.232%0.31638%0.38SS..Hα-helixtrans-85.3-49.5171.4178-89.8000110.2H404 S553 V554 Q555 E559 R560 Q561H404-F557 AromaticContact CE1-CD1 3.58Å; H404-F557 AromaticContact NE2-CD1 3.25Å; H404-F557 VanDerWaalsContact NE2-CD1 3.25Å; H404-F557 WeakPolarHBondContact NE2-CD1 3.2Å; H404-F557 AromaticContact NE2-CE1 3.7Å; S553-F557 PolarHBondContact O-N 3.29Å; V554-F557 WeakPolarHBondContact O-CA 3.42Å; V554-F557 WeakPolarHBondContact O-CB 3.3Å; V554-F557 PolarHBondContact O-N 2.85Å; Q555-F557 PolarHBondContact O-N 2.93Å; F557-E559 VanDerWaalsContact C-N 3.34Å; F557-E559 PolarHBondContact O-N 3.33Å; F557-R560 PolarHBondContact O-N 3.18Å; F557-R560 VanDerWaalsContact O-N 3.15Å; F557-Q561 HydrophobicContact CD1-CG 4.03Å; F557-Q561 HydrophobicContact CE1-CG 3.59Å; F557-Q561 HydrophobicContact CZ-CG 3.9Å; F557-Q561 WeakPolarHBondContact O-CG 3.46Å; F557-Q561 PolarHBondContact O-N 3.05Å
558E68.7Low67.3Low48 Ų4883 Ų8322%0.22441%0.411CS..Hα-helixtrans-58-44.4177.9-68.5173.416300111.8Y400 H404 V554 Q555 R560 Q561 K562Y400-E558 WeakPolarHBondContact CE1-OE1 3.42Å; Y400-E558 PolarHBondContact OH-OE1 3.05Å; H404-E558 WeakPolarHBondContact CE1-CG 3.19Å; H404-E558 IonicContact CE1-OE1 3.8Å; H404-E558 PolarHBondContact CE1-OE1 2.97Å; H404-E558 VanDerWaalsContact CE1-OE1 3.31Å; H404-E558 IonicContact CG-OE1 3.44Å; H404-E558 IonicContact ND1-OE1 3.14Å; H404-E558 PolarHBondContact ND1-OE1 3.03Å; V554-E558 HydrophobicContact CG1-CG 4.34Å; V554-E558 WeakPolarHBondContact O-CG 3.42Å; V554-E558 PolarHBondContact O-N 2.96Å; Q555-E558 PolarHBondContact O-N 3.2Å; E558-R560 PolarHBondContact O-N 2.77Å; E558-Q561 PolarHBondContact O-N 3.28Å; E558-Q561 VanDerWaalsContact O-N 3.15Å; E558-K562 WeakPolarHBondContact O-CG 3.24Å; E558-K562 PolarHBondContact O-N 2.8Å
559E72Confident64.4Low124 Ų12484.4 Ų84.458%0.57941%0.414SS*.Hα-helixtrans-62.5-40.1176.1-167.6159.7-133.800111.9Q555 F557 Q561 K562 E563Q555-E559 VanDerWaalsContact O-CB 3.27Å; Q555-E559 WeakPolarHBondContact O-CB 3.47Å; Q555-E559 PolarHBondContact O-N 3.3Å; F557-E559 VanDerWaalsContact C-N 3.34Å; F557-E559 PolarHBondContact O-N 3.33Å; E559-Q561 PolarHBondContact O-N 2.98Å; E559-K562 WeakPolarHBondContact O-CB 3.36Å; E559-K562 PolarHBondContact O-N 3.04Å; E559-E563 WeakPolarHBondContact O-CG 3.35Å; E559-E563 PolarHBondContact O-N 3.45Å
560R66.9Low61.5Low131 Ų13180.8 Ų80.849%0.49441%0.41SS..Hα-helixtrans-70.2-27.5172.8-87.6178.5-64.4179.3-1.3114Q556 F557 E558 E563 L564Q556-R560 VanDerWaalsContact O-CZ 3.29Å; Q556-R560 PolarHBondContact O-NE 3.44Å; Q556-R560 PolarHBondContact O-NH2 3.33Å; F557-R560 PolarHBondContact O-N 3.18Å; F557-R560 VanDerWaalsContact O-N 3.15Å; E558-R560 PolarHBondContact O-N 2.77Å; R560-E563 WeakPolarHBondContact CG-OE2 3.35Å; R560-L564 WeakPolarHBondContact O-CB 3.27Å; R560-L564 VanDerWaalsContact O-CG 3.25Å; R560-L564 WeakPolarHBondContact O-CG 3.44Å; R560-L564 PolarHBondContact O-N 3.09Å
561Q55.2Low58.6Low43 Ų4380.2 Ų80.220%0.20142%0.421CS..Hα-helixtrans-69.8-46171.1-61.8-51.5-86.200110.1F557 E558 E559 E563 L564 E565 W612F557-Q561 HydrophobicContact CD1-CG 4.03Å; F557-Q561 HydrophobicContact CE1-CG 3.59Å; F557-Q561 HydrophobicContact CZ-CG 3.9Å; F557-Q561 WeakPolarHBondContact O-CG 3.46Å; F557-Q561 PolarHBondContact O-N 3.05Å; E558-Q561 PolarHBondContact O-N 3.28Å; E558-Q561 VanDerWaalsContact O-N 3.15Å; E559-Q561 PolarHBondContact O-N 2.98Å; Q561-E563 VanDerWaalsContact C-N 3.3Å; Q561-E563 PolarHBondContact O-N 3.13Å; Q561-L564 PolarHBondContact O-N 3.19Å; Q561-L564 VanDerWaalsContact O-N 3.11Å; Q561-E565 WeakPolarHBondContact O-CG 3.24Å; Q561-E565 PolarHBondContact O-N 3.07Å; Q561-W612 HydrophobicContact CB-CH2 3.65Å; Q561-W612 HydrophobicContact CB-CZ2 3.84Å; Q561-W612 HydrophobicContact CG-CH2 3.78Å; Q561-W612 HydrophobicContact CG-CZ2 3.69Å
562K53Low55.9Low100 Ų10080.7 Ų80.744%0.43542%0.424SS..Hα-helixtrans-55.9-42171.2-67.9172.5176.1178.70112.1D287 E558 E559 A566D287-K562 IonicContact OD1-NZ 3.84Å; D287-K562 PolarHBondContact OD1-NZ 3.07Å; E558-K562 WeakPolarHBondContact O-CG 3.24Å; E558-K562 PolarHBondContact O-N 2.8Å; E559-K562 WeakPolarHBondContact O-CB 3.36Å; E559-K562 PolarHBondContact O-N 3.04Å; K562-A566 WeakPolarHBondContact O-CB 3.42Å; K562-A566 PolarHBondContact O-N 3.24Å
563E52Low53.2Low103 Ų10382.8 Ų82.848%0.48144%0.435SS..Hα-helixtrans-63.7-41.8174.9-76-178.4147.200112.6E559 R560 Q561 A566 Q567E559-E563 WeakPolarHBondContact O-CG 3.35Å; E559-E563 PolarHBondContact O-N 3.45Å; R560-E563 WeakPolarHBondContact CG-OE2 3.35Å; Q561-E563 VanDerWaalsContact C-N 3.3Å; Q561-E563 PolarHBondContact O-N 3.13Å; E563-A566 CarbonylContact O-C 3.5Å; E563-A566 PolarHBondContact O-N 2.88Å; E563-Q567 WeakPolarHBondContact O-CB 3.31Å; E563-Q567 VanDerWaalsContact O-CG 3.24Å; E563-Q567 WeakPolarHBondContact O-CG 3.34Å; E563-Q567 PolarHBondContact O-N 3.47Å
564L48.8Very low50.9Low86 Ų8684.5 Ų84.545%0.4545%0.445SS..Hα-helixtrans-68.6-39.6178.6-76.4169.3000111.8R560 Q561 Q567 N568R560-L564 WeakPolarHBondContact O-CB 3.27Å; R560-L564 VanDerWaalsContact O-CG 3.25Å; R560-L564 WeakPolarHBondContact O-CG 3.44Å; R560-L564 PolarHBondContact O-N 3.09Å; Q561-L564 PolarHBondContact O-N 3.19Å; Q561-L564 VanDerWaalsContact O-N 3.11Å; L564-Q567 PolarHBondContact O-N 3.05Å; L564-N568 PolarHBondContact O-N 2.83Å; L564-N568 PolarHBondContact O-ND2 2.94Å
565E43.4Very low48.6Very low73 Ų7388.9 Ų88.934%0.34147%0.472SS..Hα-helixtrans-62-49.7170.3-69.8170.7167.200110.3Q561 Q567 N568 I569Q561-E565 WeakPolarHBondContact O-CG 3.24Å; Q561-E565 PolarHBondContact O-N 3.07Å; E565-Q567 VanDerWaalsContact C-N 3.28Å; E565-Q567 PolarHBondContact O-N 3.11Å; E565-N568 WeakPolarHBondContact O-CB 3.45Å; E565-N568 PolarHBondContact O-N 2.82Å; E565-I569 WeakPolarHBondContact O-CD1 3.27Å; E565-I569 VanDerWaalsContact O-CG1 3.28Å; E565-I569 WeakPolarHBondContact O-CG1 3.45Å; E565-I569 PolarHBondContact O-N 3.44Å
566A40.5Very low46.2Very low50 Ų5085.4 Ų85.441%0.41346%0.46SS..Hα-helixtrans-64.3-25.4176.600000113.6K562 E563 S570K562-A566 WeakPolarHBondContact O-CB 3.42Å; K562-A566 PolarHBondContact O-N 3.24Å; E563-A566 CarbonylContact O-C 3.5Å; E563-A566 PolarHBondContact O-N 2.88Å; A566-S570 WeakPolarHBondContact O-CA 3.12Å; A566-S570 WeakPolarHBondContact O-CB 3.15Å; A566-S570 PolarHBondContact O-N 3.34Å; A566-S570 PolarHBondContact O-OG 3.26Å
567Q40.2Very low44Very low123 Ų12382.4 Ų82.458%0.57545%0.447SS*.Hα-helixtrans-77.5-38.7172.3-79.2176.129.400112E563 L564 E565 I569 G571E563-Q567 WeakPolarHBondContact O-CB 3.31Å; E563-Q567 VanDerWaalsContact O-CG 3.24Å; E563-Q567 WeakPolarHBondContact O-CG 3.34Å; E563-Q567 PolarHBondContact O-N 3.47Å; L564-Q567 PolarHBondContact O-N 3.05Å; E565-Q567 VanDerWaalsContact C-N 3.28Å; E565-Q567 PolarHBondContact O-N 3.11Å; Q567-I569 PolarHBondContact O-N 3.15Å; Q567-G571 PolarHBondContact O-N 2.76Å
568N38.3Very low42.2Very low124 Ų12481.1 Ų81.166%0.66345%0.45SS*.Hα-helixtrans-62-33.6169.8-73.5-52.8000111.6L564 E565L564-N568 PolarHBondContact O-N 2.83Å; L564-N568 PolarHBondContact O-ND2 2.94Å; E565-N568 WeakPolarHBondContact O-CB 3.45Å; E565-N568 PolarHBondContact O-N 2.82Å
569I31.9Very low40.3Very low109 Ų10986 Ų8656%0.55947%0.474SS*.Hα-helixtrans-82.8-43.4178.5-64.8162.9000112.8E565 Q567 G571 L572E565-I569 WeakPolarHBondContact O-CD1 3.27Å; E565-I569 VanDerWaalsContact O-CG1 3.28Å; E565-I569 WeakPolarHBondContact O-CG1 3.45Å; E565-I569 PolarHBondContact O-N 3.44Å; Q567-I569 PolarHBondContact O-N 3.15Å; I569-G571 PolarHBondContact O-N 3.27Å; I569-L572 WeakPolarHBondContact O-CB 3.43Å; I569-L572 VanDerWaalsContact O-CG 3.26Å; I569-L572 WeakPolarHBondContact O-CG 3.36Å; I569-L572 PolarHBondContact O-N 3.38Å
570S29.1Very low38.4Very low94 Ų9488.6 Ų88.666%0.65748%0.479SS*.Hα-helixtrans-72.9-13.8-174.155.30000114.4A566 L572A566-S570 WeakPolarHBondContact O-CA 3.12Å; A566-S570 WeakPolarHBondContact O-CB 3.15Å; A566-S570 PolarHBondContact O-N 3.34Å; A566-S570 PolarHBondContact O-OG 3.26Å; S570-L572 PolarHBondContact O-N 3.25Å; S570-L572 VanDerWaalsContact O-N 3.16Å
571G27.7Very low37Very low49 Ų4988.9 Ų88.951%0.50548%0.481SS..THydrogen-bonded Turntrans-69.75.5164.300000114.7Q567 I569Q567-G571 PolarHBondContact O-N 2.76Å; I569-G571 PolarHBondContact O-N 3.27Å
572L31.8Very low35.7Very low39 Ų3987.6 Ų87.620%0.20448%0.479CS..  trans-121.680.8-170.6-49.3174.2000111.4I569 S570 M577 Y581I569-L572 WeakPolarHBondContact O-CB 3.43Å; I569-L572 VanDerWaalsContact O-CG 3.26Å; I569-L572 WeakPolarHBondContact O-CG 3.36Å; I569-L572 PolarHBondContact O-N 3.38Å; S570-L572 PolarHBondContact O-N 3.25Å; S570-L572 VanDerWaalsContact O-N 3.16Å; L572-M577 HydrophobicContact CB-CG 3.94Å; L572-M577 HydrophobicContact CB-SD 3.76Å; L572-M577 HydrophobicContact CD1-SD 3.68Å; L572-M577 HydrophobicContact CD2-SD 4.08Å; L572-M577 HydrophobicContact CG-SD 4.04Å; L572-Y581 HydrophobicContact CD1-CE2 4.34Å; L572-Y581 HydrophobicContact CD2-CE2 3.9Å
573T30.7Very low34.9Very low87 Ų8786.9 Ų86.953%0.53448%0.48SS..  trans-62.6153.2160.662.10000109.6T575 G576 M577T573-T575 PolarHBondContact O-N 2.95Å; T573-G576 CarbonylContact O-C 3.57Å; T573-G576 VanDerWaalsContact O-CA 3.26Å; T573-G576 WeakPolarHBondContact O-CA 3.46Å; T573-G576 PolarHBondContact O-N 2.65Å; T573-G576 PolarHBondContact OG1-N 2.65Å; T573-G576 VanDerWaalsContact OG1-N 3.11Å; T573-M577 PolarHBondContact O-N 2.79Å
574P31.6Very low34.2Very low112 Ų11289 Ų8973%0.72749%0.494SS*.Hα-helixtrans-56.9-35.8179.9-28.235.5000113.5M577 A578P574-M577 WeakPolarHBondContact O-CB 3.49Å; P574-M577 PolarHBondContact O-N 2.93Å; P574-A578 PolarHBondContact O-N 3.31Å
575T29.8Very low33.6Very low96 Ų9686.9 Ų86.959%0.58948%0.484SS*.Hα-helixtrans-70.6-35.3173.1-28.60000111.9T573 A578 M579T573-T575 PolarHBondContact O-N 2.95Å; T575-A578 PolarHBondContact O-N 3.5Å; T575-M579 HydrophobicContact CG2-CE 4Å; T575-M579 PolarHBondContact O-N 3.41Å; T575-M579 VanDerWaalsContact O-N 3.15Å
576G29.9Very low33.3Very low19 Ų1988.4 Ų88.420%0.19650%0.499CS..Hα-helixtrans-63.8-39.4171.200000112.7T573 M579 R580T573-G576 CarbonylContact O-C 3.57Å; T573-G576 VanDerWaalsContact O-CA 3.26Å; T573-G576 WeakPolarHBondContact O-CA 3.46Å; T573-G576 PolarHBondContact O-N 2.65Å; T573-G576 PolarHBondContact OG1-N 2.65Å; T573-G576 VanDerWaalsContact OG1-N 3.11Å; G576-M579 PolarHBondContact O-N 2.95Å; G576-R580 WeakPolarHBondContact O-CB 3.39Å; G576-R580 PolarHBondContact O-N 2.81Å
577M32.3Very low33.1Very low48 Ų4894.5 Ų94.524%0.23651%0.512CS..Hα-helixtrans-57.2-53.1173-75.3-70.4-88.800111.1L572 T573 P574 M579 R580 Y581L572-M577 HydrophobicContact CB-CG 3.94Å; L572-M577 HydrophobicContact CB-SD 3.76Å; L572-M577 HydrophobicContact CD1-SD 3.68Å; L572-M577 HydrophobicContact CD2-SD 4.08Å; L572-M577 HydrophobicContact CG-SD 4.04Å; T573-M577 PolarHBondContact O-N 2.79Å; P574-M577 WeakPolarHBondContact O-CB 3.49Å; P574-M577 PolarHBondContact O-N 2.93Å; M577-M579 VanDerWaalsContact C-N 3.3Å; M577-M579 PolarHBondContact O-N 3.43Å; M577-R580 PolarHBondContact O-N 2.96Å; M577-Y581 HydrophobicContact CE-CD2 4.39Å; M577-Y581 PolarHBondContact O-N 2.91Å; M577-Y581 HydrophobicContact SD-CD2 3.62Å; M577-Y581 HydrophobicContact SD-CE2 3.63Å
578A32.3Very low32.9Very low46 Ų4691.4 Ų91.438%0.3850%0.501SS..Hα-helixtrans-60.2-37.7-179.300000113.1P574 T575 G582 L583P574-A578 PolarHBondContact O-N 3.31Å; T575-A578 PolarHBondContact O-N 3.5Å; A578-G582 PolarHBondContact O-N 2.93Å; A578-L583 HydrophobicContact CB-CD1 4.38Å
579M28.6Very low32.9Very low150 Ų15091.6 Ų91.674%0.73950%0.496SS*.Hα-helixtrans-79.9-35.4177.7-73.8-165.9-87.100114T575 G576 M577T575-M579 HydrophobicContact CG2-CE 4Å; T575-M579 PolarHBondContact O-N 3.41Å; T575-M579 VanDerWaalsContact O-N 3.15Å; G576-M579 PolarHBondContact O-N 2.95Å; M577-M579 VanDerWaalsContact C-N 3.3Å; M577-M579 PolarHBondContact O-N 3.43Å
580R32.4Very low33.2Very low179 Ų17992.9 Ų92.968%0.67550%0.498SS*.Hα-helixtrans-90.1-32-172.2-163.8176.5-170.4178.30.4113.5G576 M577G576-R580 WeakPolarHBondContact O-CB 3.39Å; G576-R580 PolarHBondContact O-N 2.81Å; M577-R580 PolarHBondContact O-N 2.96Å
581Y36.8Very low33.5Very low136 Ų13692.9 Ų92.953%0.53349%0.488SS..THydrogen-bonded Turntrans-98.16.2172.4-66.6-81.9000113.3L572 M577 L583L572-Y581 HydrophobicContact CD1-CE2 4.34Å; L572-Y581 HydrophobicContact CD2-CE2 3.9Å; M577-Y581 HydrophobicContact CE-CD2 4.39Å; M577-Y581 PolarHBondContact O-N 2.91Å; M577-Y581 HydrophobicContact SD-CD2 3.62Å; M577-Y581 HydrophobicContact SD-CE2 3.63Å; Y581-L583 PolarHBondContact O-N 3.02Å
582G28.3Very low33.7Very low16 Ų1694.8 Ų94.817%0.16549%0.485CS..THydrogen-bonded Turntrans58.558.1156.400000115.3A578 N584 D585A578-G582 PolarHBondContact O-N 2.93Å; G582-N584 PolarHBondContact O-N 2.94Å; G582-D585 WeakPolarHBondContact O-CB 3.45Å; G582-D585 PolarHBondContact O-N 3.11Å
583L36.7Very low33.7Very low85 Ų8597.1 Ų97.145%0.44550%0.498SS..THydrogen-bonded Turntrans-59.2-18.8174.9-73.6166.4000113.8A578 Y581A578-L583 HydrophobicContact CB-CD1 4.38Å; Y581-L583 PolarHBondContact O-N 3.02Å
584N37.3Very low33.7Very low147 Ų14798.1 Ų98.179%0.78650%0.495SS*.THydrogen-bonded Turntrans-103.23.3171.7-78.8-26.4000114.4G582 P586G582-N584 PolarHBondContact O-N 2.94Å; N584-P586 WeakPolarHBondContact O-CD 3.39Å
585D36.5Very low33.6Very low43 Ų4398 Ų9823%0.2349%0.492CS..  trans-74122.7172-167.8-56.2000109.5G582 R587 V588 K589G582-D585 WeakPolarHBondContact O-CB 3.45Å; G582-D585 PolarHBondContact O-N 3.11Å; D585-R587 PolarHBondContact O-N 3.2Å; D585-R587 WeakPolarHBondContact OD1-CB 3.32Å; D585-R587 VanDerWaalsContact OD1-CG 3.3Å; D585-R587 WeakPolarHBondContact OD1-CG 3.45Å; D585-R587 IonicContact OD1-CZ 3.59Å; D585-R587 PolarHBondContact OD1-N 3.35Å; D585-R587 IonicContact OD1-NE 3.6Å; D585-R587 PolarHBondContact OD1-NE 2.75Å; D585-R587 IonicContact OD1-NH2 2.69Å; D585-R587 IonicContact OD2-CZ 2.74Å; D585-R587 IonicContact OD2-NE 3.88Å; D585-R587 PolarHBondContact OD2-NE 3.42Å; D585-R587 IonicContact OD2-NH2 3.42Å; D585-R587 PolarHBondContact OD2-NH2 3.12Å; D585-V588 HydrophobicContact CB-CG2 4.28Å; D585-V588 PolarHBondContact O-N 3.07Å; D585-K589 PolarHBondContact O-N 3.35Å
586P37.4Very low33.4Very low104 Ų10497.2 Ų97.268%0.67549%0.491SS*.Hα-helixtrans-57.2-23-179.6-26.635.8000114N584 K590N584-P586 WeakPolarHBondContact O-CD 3.39Å; P586-K590 VanDerWaalsContact O-CB 3.23Å; P586-K590 WeakPolarHBondContact O-CB 3.43Å; P586-K590 PolarHBondContact O-N 2.87Å
587R36.3Very low33.2Very low178 Ų178103.8 Ų103.867%0.67252%0.516SS*.Hα-helixtrans-69.8-41.4177.3-62.2170.6-77.6-166.9-1.6111.6D585 K590 E591D585-R587 PolarHBondContact O-N 3.2Å; D585-R587 WeakPolarHBondContact OD1-CB 3.32Å; D585-R587 VanDerWaalsContact OD1-CG 3.3Å; D585-R587 WeakPolarHBondContact OD1-CG 3.45Å; D585-R587 IonicContact OD1-CZ 3.59Å; D585-R587 PolarHBondContact OD1-N 3.35Å; D585-R587 IonicContact OD1-NE 3.6Å; D585-R587 PolarHBondContact OD1-NE 2.75Å; D585-R587 IonicContact OD1-NH2 2.69Å; D585-R587 IonicContact OD2-CZ 2.74Å; D585-R587 IonicContact OD2-NE 3.88Å; D585-R587 PolarHBondContact OD2-NE 3.42Å; D585-R587 IonicContact OD2-NH2 3.42Å; D585-R587 PolarHBondContact OD2-NH2 3.12Å; R587-K590 WeakPolarHBondContact O-CB 3.43Å; R587-K590 PolarHBondContact O-N 3.01Å; R587-E591 WeakPolarHBondContact O-CG 3.46Å; R587-E591 PolarHBondContact O-N 3.41Å
588V35.9Very low32.7Very low59 Ų59102.9 Ų102.936%0.35852%0.52SS..Hα-helixtrans-67.7-45179.6-179.20000110.2D585 K590 E591 L592D585-V588 HydrophobicContact CB-CG2 4.28Å; D585-V588 PolarHBondContact O-N 3.07Å; V588-K590 VanDerWaalsContact C-N 3.27Å; V588-K590 PolarHBondContact O-N 3.42Å; V588-E591 PolarHBondContact O-N 3.33Å; V588-L592 PolarHBondContact O-N 3Å
589K37.2Very low32.4Very low128 Ų128105.5 Ų105.556%0.55753%0.526SS*.Hα-helixtrans-60.7-33.6171.4-83.4-176.1174.61750113D585 N593D585-K589 PolarHBondContact O-N 3.35Å; K589-N593 WeakPolarHBondContact O-CB 3.41Å; K589-N593 PolarHBondContact O-N 3.13Å
590K38.4Very low32.2Very low135 Ų135102 Ų10259%0.58751%0.511SS*.Hα-helixtrans-68.3-42176.2-177174.7-177.51760112.6P586 R587 V588 K594P586-K590 VanDerWaalsContact O-CB 3.23Å; P586-K590 WeakPolarHBondContact O-CB 3.43Å; P586-K590 PolarHBondContact O-N 2.87Å; R587-K590 WeakPolarHBondContact O-CB 3.43Å; R587-K590 PolarHBondContact O-N 3.01Å; V588-K590 VanDerWaalsContact C-N 3.27Å; V588-K590 PolarHBondContact O-N 3.42Å; K590-K594 WeakPolarHBondContact O-CG 3.45Å; K590-K594 PolarHBondContact O-N 2.86Å
591E35.1Very low32.3Very low95 Ų9596.5 Ų96.544%0.44451%0.509SS..Hα-helixtrans-72.3-35.8175.4-55.8-46.8117.400111.9R587 V588 K594 V595R587-E591 WeakPolarHBondContact O-CG 3.46Å; R587-E591 PolarHBondContact O-N 3.41Å; V588-E591 PolarHBondContact O-N 3.33Å; E591-K594 WeakPolarHBondContact O-CB 3.36Å; E591-K594 PolarHBondContact O-N 3.49Å; E591-K594 WeakPolarHBondContact OE1-CD 3.35Å; E591-K594 IonicContact OE1-NZ 2.64Å; E591-K594 PolarHBondContact OE1-NZ 3.24Å; E591-K594 WeakPolarHBondContact OE2-CD 3.39Å; E591-K594 WeakPolarHBondContact OE2-CE 3.28Å; E591-K594 IonicContact OE2-NZ 2.77Å; E591-K594 PolarHBondContact OE2-NZ 3.47Å; E591-V595 PolarHBondContact O-N 2.78Å
592L31.9Very low31.9Very low88 Ų8897.9 Ų97.946%0.46153%0.526SS..Hα-helixtrans-63.8-42.1173-138.278.8000112V588 K594 V595 S596V588-L592 PolarHBondContact O-N 3Å; L592-K594 VanDerWaalsContact C-N 3.32Å; L592-K594 PolarHBondContact O-N 2.98Å; L592-V595 PolarHBondContact O-N 3.44Å; L592-V595 VanDerWaalsContact O-N 3.14Å; L592-S596 PolarHBondContact O-N 3.1Å
593N32.1Very low31.8Very low89 Ų89102 Ų10248%0.47655%0.552SS.*Hα-helixtrans-67-29.8173.5-86.3-1.7000113.1K589 V595 S596 Q597K589-N593 WeakPolarHBondContact O-CB 3.41Å; K589-N593 PolarHBondContact O-N 3.13Å; N593-V595 VanDerWaalsContact C-N 3.33Å; N593-S596 WeakPolarHBondContact CA-OG 3.41Å; N593-S596 PolarHBondContact O-N 3.48Å; N593-S596 PolarHBondContact O-OG 2.85Å; N593-Q597 VanDerWaalsContact O-CB 3.24Å; N593-Q597 WeakPolarHBondContact O-CB 3.23Å; N593-Q597 VanDerWaalsContact O-CG 3.29Å; N593-Q597 WeakPolarHBondContact O-CG 3.19Å; N593-Q597 PolarHBondContact O-N 2.92Å
594K30.4Very low31.3Very low107 Ų107104.4 Ų104.447%0.46556%0.564SS.*Hα-helixtrans-66.2-35.9169.8-79.3159.1151.8-177.40111.8K590 E591 L592 G598K590-K594 WeakPolarHBondContact O-CG 3.45Å; K590-K594 PolarHBondContact O-N 2.86Å; E591-K594 WeakPolarHBondContact O-CB 3.36Å; E591-K594 PolarHBondContact O-N 3.49Å; E591-K594 WeakPolarHBondContact OE1-CD 3.35Å; E591-K594 IonicContact OE1-NZ 2.64Å; E591-K594 PolarHBondContact OE1-NZ 3.24Å; E591-K594 WeakPolarHBondContact OE2-CD 3.39Å; E591-K594 WeakPolarHBondContact OE2-CE 3.28Å; E591-K594 IonicContact OE2-NZ 2.77Å; E591-K594 PolarHBondContact OE2-NZ 3.47Å; L592-K594 VanDerWaalsContact C-N 3.32Å; L592-K594 PolarHBondContact O-N 2.98Å; K594-G598 WeakPolarHBondContact O-CA 3.3Å; K594-G598 PolarHBondContact O-N 2.97Å
595V29.9Very low30.8Very low111 Ų111101.2 Ų101.267%0.67357%0.566SS**Hα-helixtrans-69.7-41.1175.2175.60000111E591 L592 N593E591-V595 PolarHBondContact O-N 2.78Å; L592-V595 PolarHBondContact O-N 3.44Å; L592-V595 VanDerWaalsContact O-N 3.14Å; N593-V595 VanDerWaalsContact C-N 3.33Å
596S25Very low30.2Very low79 Ų79108.2 Ų108.255%0.55259%0.594SS**Hα-helixtrans-74.7-31179.267.40000114.4L592 N593L592-S596 PolarHBondContact O-N 3.1Å; N593-S596 WeakPolarHBondContact CA-OG 3.41Å; N593-S596 PolarHBondContact O-N 3.48Å; N593-S596 PolarHBondContact O-OG 2.85Å
597Q25.5Very low29.5Very low156 Ų156107.5 Ų107.573%0.72959%0.588SS**Hα-helixtrans-92.4-15.5176.7-62178.5-5.500113.3N593 I599N593-Q597 VanDerWaalsContact O-CB 3.24Å; N593-Q597 WeakPolarHBondContact O-CB 3.23Å; N593-Q597 VanDerWaalsContact O-CG 3.29Å; N593-Q597 WeakPolarHBondContact O-CG 3.19Å; N593-Q597 PolarHBondContact O-N 2.92Å; Q597-I599 PolarHBondContact O-N 3.08Å
598G23.8Very low28.8Very low30 Ų30104.6 Ų104.631%0.30959%0.592SS.*  trans-99.135.2-164.800000116.6K594 N600K594-G598 WeakPolarHBondContact O-CA 3.3Å; K594-G598 PolarHBondContact O-N 2.97Å; G598-N600 PolarHBondContact O-N 3.08Å
599I25.2Very low28.4Very low101 Ų101108 Ų10852%0.51860%0.599SS.*  trans-74.61.7173.3-56.2-179.1000111.6Q176 Q597Q176-I599 HydrophobicContact CB-CG2 4.07Å; Q597-I599 PolarHBondContact O-N 3.08Å
600N25Very low27.7Very low77 Ų77107.8 Ų107.841%0.41261%0.608SS.*SBendtrans-89.896170.8-103.329.7000112S173 S174 G175 G598 D602S173-N600 PolarHBondContact O-ND2 3.34Å; S174-N600 WeakPolarHBondContact CA-ND2 3.28Å; S174-N600 WeakPolarHBondContact CB-ND2 3.47Å; G175-N600 PolarHBondContact N-OD1 3.01Å; G175-N600 VanDerWaalsContact N-OD1 3.14Å; G598-N600 PolarHBondContact O-N 3.08Å; N600-D602 PolarHBondContact O-N 2.97Å; N600-D602 VanDerWaalsContact O-N 3.14Å
601G33.4Very low27Very low63 Ų63107.4 Ų107.465%0.64961%0.612SS**SBendtrans74.6-96.4154.200000117.6
602D28.4Very low26.6Very low164 Ų164109.9 Ų109.988%0.87762%0.618SS**THydrogen-bonded Turntrans-1016.6-138.3-67.5-22.5000116.8N600N600-D602 PolarHBondContact O-N 2.97Å; N600-D602 VanDerWaalsContact O-N 3.14Å
603S27.1Very low26.1Very low103 Ų103108 Ų10872%0.7261%0.611SS**THydrogen-bonded Turntrans-104.5-7.5-169-66.80000116.8G605S603-G605 PolarHBondContact O-N 3.19Å
604I26.4Very low25.7Very low136 Ų136105.9 Ų105.970%0.69761%0.611SS**G310 helixtrans-74.9-25-172.1-63179.7000112.9K606I604-K606 PolarHBondContact O-N 2.89Å
605G25.3Very low25.4Very low79 Ų79103.7 Ų103.781%0.81460%0.604SS**G310 helixtrans-71.920.5-174.700000117.3S603S603-G605 PolarHBondContact O-N 3.19Å
606K25.2Very low25.2Very low190 Ų190102.4 Ų102.483%0.82659%0.593SS**G310 helixtrans-136.519.1-173.6-67.5-169.3177.9179.30116.2I604 P608I604-K606 PolarHBondContact O-N 2.89Å; K606-P608 WeakPolarHBondContact O-CD 3.34Å
607V22.4Very low25.3Very low90 Ų90100 Ų10055%0.54558%0.576SS.*  trans-81.4117.3163.6-179.40000108.8Y609V607-Y609 VanDerWaalsContact C-N 3.34Å; V607-Y609 HydrophobicContact CB-CD2 4.2Å; V607-Y609 HydrophobicContact CB-CE2 3.84Å; V607-Y609 HydrophobicContact CG1-CD2 4.05Å; V607-Y609 HydrophobicContact CG1-CE1 4.43Å; V607-Y609 HydrophobicContact CG1-CE2 3.77Å; V607-Y609 WeakPolarHBondContact O-CD2 3.32Å; V607-Y609 PolarHBondContact O-N 2.95Å
608P22Very low25.2Very low116 Ų11695.4 Ų95.475%0.75357%0.571SS**  trans-81.577.1-175.733.5-35.1000111.3K606 T610K606-P608 WeakPolarHBondContact O-CD 3.34Å; P608-T610 PolarHBondContact O-N 3.27Å
609Y26.7Very low25.1Very low132 Ų13296.9 Ų96.952%0.51858%0.58SS.*  trans-58.4125.1177.5-75.1-80.4000112.1L237 V607 L611L237-Y609 HydrophobicContact CD2-CE1 4.07Å; V607-Y609 VanDerWaalsContact C-N 3.34Å; V607-Y609 HydrophobicContact CB-CD2 4.2Å; V607-Y609 HydrophobicContact CB-CE2 3.84Å; V607-Y609 HydrophobicContact CG1-CD2 4.05Å; V607-Y609 HydrophobicContact CG1-CE1 4.43Å; V607-Y609 HydrophobicContact CG1-CE2 3.77Å; V607-Y609 WeakPolarHBondContact O-CD2 3.32Å; V607-Y609 PolarHBondContact O-N 2.95Å; Y609-L611 PolarHBondContact O-N 2.94Å
610T22.7Very low25Very low122 Ų12296 Ų9675%0.74858%0.579SS**  trans-82.273.1-170.942.90000113.5P608 W612P608-T610 PolarHBondContact O-N 3.27Å; T610-W612 VanDerWaalsContact C-N 3.25Å; T610-W612 PolarHBondContact O-N 3.05Å
611L24.2Very low24.9Very low127 Ų12794.1 Ų94.167%0.66558%0.578SS**SBendtrans56.4-9.6149.2-86.9164.5000121.6Y609Y609-L611 PolarHBondContact O-N 2.94Å
612W25.1Very low24.4Very low148 Ų14894.1 Ų94.156%0.56156%0.563SS**SBendtrans-98.2-32.4-166-106.272.9000116.5Q561 T610 G614Q561-W612 HydrophobicContact CB-CH2 3.65Å; Q561-W612 HydrophobicContact CB-CZ2 3.84Å; Q561-W612 HydrophobicContact CG-CH2 3.78Å; Q561-W612 HydrophobicContact CG-CZ2 3.69Å; T610-W612 VanDerWaalsContact C-N 3.25Å; T610-W612 PolarHBondContact O-N 3.05Å; W612-G614 PolarHBondContact O-N 3.33Å
613S22.1Very low24.2Very low47 Ų4788.6 Ų88.633%0.32954%0.544SS..SBendtrans-101.639.1-167.554.50000115.3R348R348-S613 PolarHBondContact NH1-O 3.11Å; R348-S613 PolarHBondContact NH2-O 3.45Å; R348-S613 PolarHBondContact NH2-OG 2.93Å
614G24.8Very low24Very low46 Ų4689.5 Ų89.547%0.47454%0.535SS..SBendtrans-15632.3-172.900000117.3W612 S617W612-G614 PolarHBondContact O-N 3.33Å; G614-S617 PolarHBondContact O-OG 3.13Å
615L24.2Very low23.9Very low61 Ų6189.2 Ų89.232%0.31953%0.531SS..SBendtrans-133.6-18178.4-158.174.5000116.2F410 S617F410-L615 HydrophobicContact CB-CD2 3.65Å; F410-L615 HydrophobicContact CD2-CD2 4.11Å; F410-L615 HydrophobicContact CG-CD2 4.24Å; L615-S617 PolarHBondContact N-OG 3.45Å; L615-S617 PolarHBondContact O-N 3.22Å
616L25Very low23.8Very low84 Ų8489.5 Ų89.544%0.4451%0.514SS..SBendtrans-69.4-5.9161.6-81.6164.4000112.3T354 Q357 M403T354-L616 WeakPolarHBondContact CB-O 3.49Å; T354-L616 VanDerWaalsContact OG1-CB 3.25Å; T354-L616 WeakPolarHBondContact OG1-CB 3.28Å; Q357-L616 HydrophobicContact CB-CD1 4.44Å; Q357-L616 HydrophobicContact CB-CD2 4.09Å; M403-L616 HydrophobicContact CE-CD2 3.62Å
617S26.2Very low23.7Very low27 Ų2783.1 Ų83.119%0.18950%0.496CS..SBendtrans-42.3128.5165-59.30000115D229 G614 L615 A619D229-S617 WeakPolarHBondContact OD1-CA 3.2Å; D229-S617 WeakPolarHBondContact OD1-CB 3.23Å; D229-S617 PolarHBondContact OD1-OG 3.19Å; D229-S617 WeakPolarHBondContact OD2-CB 3.34Å; D229-S617 PolarHBondContact OD2-OG 2.83Å; G614-S617 PolarHBondContact O-OG 3.13Å; L615-S617 PolarHBondContact N-OG 3.45Å; L615-S617 PolarHBondContact O-N 3.22Å; S617-A619 PolarHBondContact O-N 3.17Å
618G23.5Very low23.8Very low60 Ų6082.3 Ų82.362%0.61949%0.492SS*.  trans-74.281.5-17900000114.3
619A21.8Very low24Very low61 Ų6177.3 Ų77.350%0.50446%0.459SS..SBendtrans66.1166.5164.900000118.4S617 G621S617-A619 PolarHBondContact O-N 3.17Å; A619-G621 PolarHBondContact O-N 2.78Å
620V24.2Very low24Very low83 Ų8376.9 Ų76.950%0.50346%0.46SS..  trans62.8-3.2171-161.10000117.1T227 G623T227-V620 HydrophobicContact CG2-CB 3.84Å; T227-V620 HydrophobicContact CG2-CG1 4.21Å; V620-G623 PolarHBondContact O-N 2.97Å
621G21.4Very low24.4Very low38 Ų3871.8 Ų71.839%0.39243%0.429SS..SBendtrans-63.5-39.8170.100000114.2A619A619-G621 PolarHBondContact O-N 2.78Å
622L24.1Very low24.7Very low63 Ų6368.8 Ų68.833%0.3342%0.416SS..Hα-helixtrans-74-37.4176.7-68166.4000111.9F410 K624 L626F410-L622 HydrophobicContact CD1-CD1 3.96Å; F410-L622 HydrophobicContact CE1-CD1 3.53Å; F410-L622 HydrophobicContact CE2-CD1 4.29Å; F410-L622 HydrophobicContact CZ-CD1 3.72Å; L622-K624 PolarHBondContact O-N 3.24Å; L622-L626 HydrophobicContact CB-CD1 4.28Å; L622-L626 HydrophobicContact CD2-CD1 3.77Å; L622-L626 WeakPolarHBondContact O-CB 3.35Å; L622-L626 PolarHBondContact O-N 3.36Å
623G23.4Very low24.7Very low47 Ų4765.7 Ų65.749%0.48541%0.41SS..Hα-helixtrans-76.926.1-17000000116.5V620 A627V620-G623 PolarHBondContact O-N 2.97Å; G623-A627 WeakPolarHBondContact O-CB 3.42Å
624K22.6Very low25Very low122 Ų12272.9 Ų72.953%0.5344%0.435SS..Hα-helixtrans-136.9-30.5174.2-151.9173-177.31800114.4L622L622-K624 PolarHBondContact O-N 3.24Å
625E24.6Very low25.1Very low131 Ų13173.5 Ų73.561%0.61243%0.43SS*.Hα-helixtrans-96.3-30.8167.9-69.2-164.9159.400113.1T628E625-T628 PolarHBondContact O-OG1 3.08Å
626L23.6Very low25.4Very low85 Ų8572.1 Ų72.145%0.44543%0.427SS..THydrogen-bonded Turntrans-80.1-23.2168.8-69.6172.9000112.4L622 T628 S629L622-L626 HydrophobicContact CB-CD1 4.28Å; L622-L626 HydrophobicContact CD2-CD1 3.77Å; L622-L626 WeakPolarHBondContact O-CB 3.35Å; L622-L626 PolarHBondContact O-N 3.36Å; L626-T628 PolarHBondContact O-N 3.37Å; L626-S629 CarbonylContact O-C 3.6Å; L626-S629 WeakPolarHBondContact O-CA 3.33Å; L626-S629 WeakPolarHBondContact O-CB 3.3Å; L626-S629 PolarHBondContact O-N 2.78Å; L626-S629 PolarHBondContact O-OG 2.91Å
627A23.3Very low25.6Very low55 Ų5574.2 Ų74.246%0.45544%0.435SS..THydrogen-bonded Turntrans-69.7-14-179.700000114.4G623G623-A627 WeakPolarHBondContact O-CB 3.42Å
628T25.4Very low25.8Very low74 Ų7474.9 Ų74.945%0.45445%0.446SS..THydrogen-bonded Turntrans-87.1-18.8167.453.70000112.3E625 L626E625-T628 PolarHBondContact O-OG1 3.08Å; L626-T628 PolarHBondContact O-N 3.37Å
629S24.5Very low26Very low10 Ų1074.9 Ų74.97%0.0743%0.431CS..SBendtrans-83.7131.1166.983.90000109.4L626 V631L626-S629 CarbonylContact O-C 3.6Å; L626-S629 WeakPolarHBondContact O-CA 3.33Å; L626-S629 WeakPolarHBondContact O-CB 3.3Å; L626-S629 PolarHBondContact O-N 2.78Å; L626-S629 PolarHBondContact O-OG 2.91Å; S629-V631 PolarHBondContact O-N 3.34Å
630K26.8Very low26.5Very low124 Ų12473.1 Ų73.154%0.53942%0.417SS..SBendtrans-73.428.8178.4-64.6169.3-176.9146.70113.2D431 D433D431-K630 IonicContact OD1-NZ 3.21Å; D431-K630 PolarHBondContact OD1-NZ 3.04Å; D431-K630 IonicContact OD2-NZ 2.67Å; D431-K630 PolarHBondContact OD2-NZ 2.87Å; D433-K630 IonicContact OD2-NZ 2.83Å; D433-K630 PolarHBondContact OD2-NZ 2.95Å
631V32Very low26.9Very low15 Ų1572 Ų729%0.09141%0.412CS..SBendtrans-116.6104.1-169.7-179.20000110.3M495 F498 N499 S629M495-V631 HydrophobicContact CE-CG2 3.78Å; F498-V631 HydrophobicContact CD1-CG1 4.12Å; F498-V631 HydrophobicContact CE1-CG1 3.83Å; N499-V631 VanDerWaalsContact OD1-CG1 3.27Å; N499-V631 WeakPolarHBondContact OD1-CG1 3.31Å; S629-V631 PolarHBondContact O-N 3.34Å
632T30Very low27.3Very low64 Ų6473 Ų7339%0.39341%0.414SS..  trans81.820.7158.661.60000121.1K634 V635 A636T632-K634 VanDerWaalsContact C-N 3.29Å; T632-K634 PolarHBondContact O-N 3.09Å; T632-V635 HydrophobicContact CG2-CB 4.46Å; T632-V635 HydrophobicContact CG2-CG2 4.26Å; T632-V635 PolarHBondContact O-N 2.85Å; T632-A636 PolarHBondContact O-N 3.35Å
633D25Very low27.8Very low82 Ų8270.2 Ų70.244%0.43940%0.399SS..Hα-helixtrans-40.1-58.1164.6-57.4-34000111.8V635 A636 E637D633-V635 PolarHBondContact O-N 3.42Å; D633-A636 PolarHBondContact O-N 2.93Å; D633-E637 WeakPolarHBondContact O-CB 3.21Å; D633-E637 WeakPolarHBondContact O-CG 3.37Å; D633-E637 PolarHBondContact O-N 3.11Å
634K27.8Very low28.7Very low198 Ų19871.3 Ų71.386%0.86139%0.393SS*.Hα-helixtrans-62-15.8-176.2-68.1-175.7177.4177.70115.1T632T632-K634 VanDerWaalsContact C-N 3.29Å; T632-K634 PolarHBondContact O-N 3.09Å
635V29Very low29.5Very low60 Ų6069.6 Ų69.636%0.36439%0.39SS..Hα-helixtrans-101.2-49.2-178.4-177.10000110.4S503 T632 D633 L639S503-V635 VanDerWaalsContact OG-CG1 3.31Å; S503-V635 WeakPolarHBondContact OG-CG1 3.37Å; T632-V635 HydrophobicContact CG2-CB 4.46Å; T632-V635 HydrophobicContact CG2-CG2 4.26Å; T632-V635 PolarHBondContact O-N 2.85Å; D633-V635 PolarHBondContact O-N 3.42Å; V635-L639 HydrophobicContact CG1-CD1 4.22Å; V635-L639 WeakPolarHBondContact O-CB 3.21Å; V635-L639 WeakPolarHBondContact O-CG 3.13Å; V635-L639 PolarHBondContact O-N 2.88Å; V635-L639 VanDerWaalsContact O-N 3.1Å
636A28.7Very low30.2Very low32 Ų3263.7 Ų63.726%0.26436%0.362SS..Hα-helixtrans-67.7-51.1179.900000111.5F410 T632 D633 G638 A640F410-A636 HydrophobicContact CE1-CB 4.19Å; F410-A636 HydrophobicContact CZ-CB 4.42Å; T632-A636 PolarHBondContact O-N 3.35Å; D633-A636 PolarHBondContact O-N 2.93Å; A636-G638 VanDerWaalsContact C-N 3.35Å; A636-G638 PolarHBondContact O-N 2.83Å; A636-A640 VanDerWaalsContact O-CB 3.28Å; A636-A640 WeakPolarHBondContact O-CB 3.5Å; A636-A640 PolarHBondContact O-N 3.28Å
637E30.3Very low30.9Very low128 Ų12861.2 Ų61.260%0.59835%0.349SS*.Hα-helixtrans-64.5-41177.1-64.3-165.5123.300111.6D633 L639 A640 S641D633-E637 WeakPolarHBondContact O-CB 3.21Å; D633-E637 WeakPolarHBondContact O-CG 3.37Å; D633-E637 PolarHBondContact O-N 3.11Å; E637-L639 PolarHBondContact O-N 3.13Å; E637-A640 PolarHBondContact O-N 3.47Å; E637-S641 WeakPolarHBondContact O-CB 3.22Å; E637-S641 PolarHBondContact O-N 2.69Å; E637-S641 PolarHBondContact O-OG 3.38Å
638G29.8Very low31.7Very low40 Ų4064.4 Ų64.441%0.41235%0.353SS..Hα-helixtrans-60.9-41.6-178.600000112.8A636 S642A636-G638 VanDerWaalsContact C-N 3.35Å; A636-G638 PolarHBondContact O-N 2.83Å; G638-S642 WeakPolarHBondContact O-CB 3.35Å; G638-S642 PolarHBondContact O-N 2.76Å
639L27.9Very low32.4Very low61 Ų6165.2 Ų65.232%0.31936%0.358SS..Hα-helixtrans-76.2-48.7176.5-69.7172.3000112.1V635 E637 S642 L643V635-L639 HydrophobicContact CG1-CD1 4.22Å; V635-L639 WeakPolarHBondContact O-CB 3.21Å; V635-L639 WeakPolarHBondContact O-CG 3.13Å; V635-L639 PolarHBondContact O-N 2.88Å; V635-L639 VanDerWaalsContact O-N 3.1Å; E637-L639 PolarHBondContact O-N 3.13Å; L639-S642 PolarHBondContact O-N 3.4Å; L639-L643 WeakPolarHBondContact O-CB 3.19Å; L639-L643 PolarHBondContact O-N 3.35Å
640A32.3Very low33.1Very low24 Ų2465.6 Ų65.620%0.19836%0.359CS..Hα-helixtrans-64.2-46.2-177.400000112.1A636 E637 S642 L643 I644A636-A640 VanDerWaalsContact O-CB 3.28Å; A636-A640 WeakPolarHBondContact O-CB 3.5Å; A636-A640 PolarHBondContact O-N 3.28Å; E637-A640 PolarHBondContact O-N 3.47Å; A640-S642 PolarHBondContact O-N 3.12Å; A640-L643 PolarHBondContact O-N 3.21Å; A640-I644 WeakPolarHBondContact O-CB 3.06Å; A640-I644 VanDerWaalsContact O-CG1 3.29Å; A640-I644 WeakPolarHBondContact O-CG1 3.39Å; A640-I644 PolarHBondContact O-N 2.83Å
641S32.5Very low33.6Very low58 Ų5860.6 Ų60.641%0.40634%0.339SS..Hα-helixtrans-66.3-37.5178.3-53.70000111.8E637 N645E637-S641 WeakPolarHBondContact O-CB 3.22Å; E637-S641 PolarHBondContact O-N 2.69Å; E637-S641 PolarHBondContact O-OG 3.38Å; S641-N645 WeakPolarHBondContact O-CB 3.22Å; S641-N645 VanDerWaalsContact O-CG 3.26Å; S641-N645 PolarHBondContact O-N 3.14Å; S641-N645 PolarHBondContact O-ND2 2.75Å
642S30.9Very low33.7Very low60 Ų6063.4 Ų63.442%0.4236%0.357SS..Hα-helixtrans-67.3-38.4176-173.90000112.2G638 L639 A640 T646G638-S642 WeakPolarHBondContact O-CB 3.35Å; G638-S642 PolarHBondContact O-N 2.76Å; L639-S642 PolarHBondContact O-N 3.4Å; A640-S642 PolarHBondContact O-N 3.12Å; S642-T646 WeakPolarHBondContact O-CB 2.92Å; S642-T646 PolarHBondContact O-N 3.09Å; S642-T646 PolarHBondContact O-OG1 3.04Å
643L34.2Very low33.9Very low5 Ų561.9 Ų61.93%0.02635%0.347CS..Hα-helixtrans-63.6-55.5171.7174.260000111.2A402 L406 L511 L639 A640 N645 T646 I647A402-L643 HydrophobicContact CB-CD1 4.02Å; L406-L643 HydrophobicContact CB-CD2 4.47Å; L406-L643 HydrophobicContact CD2-CD2 3.72Å; L511-L643 HydrophobicContact CD1-CB 4.28Å; L511-L643 HydrophobicContact CD1-CD1 4.11Å; L511-L643 HydrophobicContact CD2-CD1 3.67Å; L511-L643 HydrophobicContact CG-CD1 4.3Å; L639-L643 WeakPolarHBondContact O-CB 3.19Å; L639-L643 PolarHBondContact O-N 3.35Å; A640-L643 PolarHBondContact O-N 3.21Å; L643-N645 PolarHBondContact O-N 2.92Å; L643-T646 WeakPolarHBondContact O-CB 3.32Å; L643-T646 PolarHBondContact O-N 3.45Å; L643-T646 VanDerWaalsContact O-N 3.1Å; L643-I647 HydrophobicContact CD1-CD1 3.88Å; L643-I647 HydrophobicContact CD1-CG1 4.32Å; L643-I647 HydrophobicContact CG-CD1 4.05Å; L643-I647 WeakPolarHBondContact O-CG1 3.28Å; L643-I647 PolarHBondContact O-N 3.2Å
644I40.8Very low34.3Very low70 Ų7059.1 Ų59.136%0.35933%0.331SS..Hα-helixtrans-59.7-45.6-177.5-68.9165.8000111A640 T646 I647 K648A640-I644 WeakPolarHBondContact O-CB 3.06Å; A640-I644 VanDerWaalsContact O-CG1 3.29Å; A640-I644 WeakPolarHBondContact O-CG1 3.39Å; A640-I644 PolarHBondContact O-N 2.83Å; I644-T646 PolarHBondContact O-N 3.3Å; I644-I647 PolarHBondContact O-N 3.4Å; I644-K648 HydrophobicContact CG2-CD 4.13Å; I644-K648 HydrophobicContact CG2-CG 4.45Å; I644-K648 WeakPolarHBondContact O-CG 3.43Å; I644-K648 PolarHBondContact O-N 3.3Å
645N41Very low34.5Very low86 Ų8652.3 Ų52.346%0.4630%0.303SS..Hα-helixtrans-69.8-32177.3-69.4-19.2000112.1S641 L643 I647 T649S641-N645 WeakPolarHBondContact O-CB 3.22Å; S641-N645 VanDerWaalsContact O-CG 3.26Å; S641-N645 PolarHBondContact O-N 3.14Å; S641-N645 PolarHBondContact O-ND2 2.75Å; L643-N645 PolarHBondContact O-N 2.92Å; N645-I647 VanDerWaalsContact C-N 3.34Å; N645-T649 WeakPolarHBondContact O-CB 3.27Å; N645-T649 VanDerWaalsContact O-CG2 3.31Å; N645-T649 WeakPolarHBondContact O-CG2 3.45Å; N645-T649 PolarHBondContact O-N 3.32Å; N645-T649 PolarHBondContact O-OG1 3.47Å
646T38Very low34.6Very low6 Ų653.7 Ų53.74%0.03731%0.309CS..Hα-helixtrans-66.2-35.5171.9-64.80000112L511 K515 S642 L643 I644 N650L511-T646 HydrophobicContact CB-CG2 4.44Å; L511-T646 HydrophobicContact CD2-CG2 3.7Å; L511-T646 HydrophobicContact CG-CG2 4.45Å; K515-T646 HydrophobicContact CD-CG2 4.44Å; K515-T646 WeakPolarHBondContact CE-OG1 3.44Å; K515-T646 HydrophobicContact CG-CG2 4.46Å; K515-T646 PolarHBondContact NZ-OG1 2.83Å; S642-T646 WeakPolarHBondContact O-CB 2.92Å; S642-T646 PolarHBondContact O-N 3.09Å; S642-T646 PolarHBondContact O-OG1 3.04Å; L643-T646 WeakPolarHBondContact O-CB 3.32Å; L643-T646 PolarHBondContact O-N 3.45Å; L643-T646 VanDerWaalsContact O-N 3.1Å; I644-T646 PolarHBondContact O-N 3.3Å; T646-N650 PolarHBondContact O-ND2 2.82Å
647I39.6Very low34.6Very low34 Ų3455.1 Ų55.117%0.17431%0.309CS..Hα-helixtrans-65.4-61.3171.6-66.1162.5000108.9Y399 L643 I644 N645 T649 N650 T651Y399-I647 HydrophobicContact CD1-CD1 4.3Å; Y399-I647 HydrophobicContact CD1-CG1 3.65Å; Y399-I647 HydrophobicContact CE1-CG1 3.62Å; L643-I647 HydrophobicContact CD1-CD1 3.88Å; L643-I647 HydrophobicContact CD1-CG1 4.32Å; L643-I647 HydrophobicContact CG-CD1 4.05Å; L643-I647 WeakPolarHBondContact O-CG1 3.28Å; L643-I647 PolarHBondContact O-N 3.2Å; I644-I647 PolarHBondContact O-N 3.4Å; N645-I647 VanDerWaalsContact C-N 3.34Å; I647-T649 VanDerWaalsContact C-N 3.33Å; I647-T649 PolarHBondContact O-N 3.35Å; I647-N650 PolarHBondContact O-N 3.09Å; I647-T651 HydrophobicContact CG2-CG2 3.98Å; I647-T651 PolarHBondContact O-N 3.12Å; I647-T651 PolarHBondContact O-OG1 3.22Å; I647-T651 VanDerWaalsContact O-OG1 3.11Å
648K39Very low34.6Very low121 Ų12150.6 Ų50.653%0.52630%0.296SS..Hα-helixtrans-50.3-45.1-177.4-73.2-180175.7-1740113.9I644 N650 T651I644-K648 HydrophobicContact CG2-CD 4.13Å; I644-K648 HydrophobicContact CG2-CG 4.45Å; I644-K648 WeakPolarHBondContact O-CG 3.43Å; I644-K648 PolarHBondContact O-N 3.3Å; K648-N650 VanDerWaalsContact C-N 3.31Å; K648-N650 PolarHBondContact O-N 3.15Å; K648-T651 WeakPolarHBondContact CA-OG1 3.3Å; K648-T651 PolarHBondContact O-OG1 3.5Å
649T41Very low34.5Very low91 Ų9150.1 Ų50.156%0.55828%0.284SS*.Hα-helixtrans-75.1-15.9-176.952.40000114.3N645 I647N645-T649 WeakPolarHBondContact O-CB 3.27Å; N645-T649 VanDerWaalsContact O-CG2 3.31Å; N645-T649 WeakPolarHBondContact O-CG2 3.45Å; N645-T649 PolarHBondContact O-N 3.32Å; N645-T649 PolarHBondContact O-OG1 3.47Å; I647-T649 VanDerWaalsContact C-N 3.33Å; I647-T649 PolarHBondContact O-N 3.35Å
650N38.6Very low34.4Very low18 Ų1850.8 Ų50.810%0.09629%0.29CS..Hα-helixtrans-110.2-20.4-179.6-67.2-79000113.3I518 T646 I647 K648 T652 T653 F654I518-N650 HydrophobicContact CD1-CB 3.84Å; T646-N650 PolarHBondContact O-ND2 2.82Å; I647-N650 PolarHBondContact O-N 3.09Å; K648-N650 VanDerWaalsContact C-N 3.31Å; K648-N650 PolarHBondContact O-N 3.15Å; N650-T652 PolarHBondContact O-N 2.99Å; N650-T652 VanDerWaalsContact O-N 3.11Å; N650-T653 WeakPolarHBondContact O-CB 3.26Å; N650-T653 PolarHBondContact O-N 3.16Å; N650-F654 HydrophobicContact CB-CE2 4.22Å; N650-F654 WeakPolarHBondContact O-CD2 3.43Å
651T36.4Very low34.1Very low19 Ų1950.1 Ų50.112%0.11729%0.285CS..Hα-helixtrans-53.1-30.517631.30000114.1I647 K648 T653 F654 M655 I682I647-T651 HydrophobicContact CG2-CG2 3.98Å; I647-T651 PolarHBondContact O-N 3.12Å; I647-T651 PolarHBondContact O-OG1 3.22Å; I647-T651 VanDerWaalsContact O-OG1 3.11Å; K648-T651 WeakPolarHBondContact CA-OG1 3.3Å; K648-T651 PolarHBondContact O-OG1 3.5Å; T651-T653 VanDerWaalsContact C-N 3.28Å; T651-T653 PolarHBondContact O-N 3.43Å; T651-F654 PolarHBondContact O-N 2.63Å; T651-F654 VanDerWaalsContact O-N 3.09Å; T651-M655 PolarHBondContact O-N 3.07Å; T651-M655 VanDerWaalsContact O-N 3.13Å; T651-I682 HydrophobicContact CG2-CD1 4.36Å
652T34.2Very low33.7Very low75 Ų7553.3 Ų53.346%0.4630%0.295SS..Hα-helixtrans-57-39.4171.251.90000112.6N650 F654 D656N650-T652 PolarHBondContact O-N 2.99Å; N650-T652 VanDerWaalsContact O-N 3.11Å; T652-F654 PolarHBondContact O-N 3.23Å; T652-D656 WeakPolarHBondContact O-CB 3.05Å; T652-D656 PolarHBondContact O-N 3.16Å; T652-D656 VanDerWaalsContact O-N 3.12Å
653T35.8Very low33.5Very low31 Ų3153.3 Ų53.319%0.1929%0.293CS..Hα-helixtrans-73.3-18.3179.8-450000112.4I518 K522 N650 T651I518-T653 HydrophobicContact CG2-CG2 4.13Å; K522-T653 HydrophobicContact CD-CG2 4.4Å; K522-T653 VanDerWaalsContact CE-CG2 3.44Å; K522-T653 WeakPolarHBondContact CE-OG1 3.44Å; K522-T653 HydrophobicContact CG-CG2 4Å; K522-T653 PolarHBondContact NZ-OG1 3.23Å; K522-T653 VanDerWaalsContact NZ-OG1 3.09Å; N650-T653 WeakPolarHBondContact O-CB 3.26Å; N650-T653 PolarHBondContact O-N 3.16Å; T651-T653 VanDerWaalsContact C-N 3.28Å; T651-T653 PolarHBondContact O-N 3.43Å
654F31.9Very low33.2Very low24 Ų2460.8 Ų60.811%0.10534%0.339CS..Hα-helixtrans-91.7-26.9178.3-70.1-74.5000114.1L395 Y399 I518 N650 T651 T652L395-F654 HydrophobicContact CB-CE1 3.4Å; L395-F654 HydrophobicContact CB-CZ 3.57Å; L395-F654 HydrophobicContact CD1-CE1 3.4Å; L395-F654 HydrophobicContact CD1-CZ 3.6Å; L395-F654 HydrophobicContact CD2-CZ 4.05Å; L395-F654 HydrophobicContact CG-CE1 3.84Å; L395-F654 HydrophobicContact CG-CZ 3.85Å; Y399-F654 AromaticContact CE2-CE2 3.78Å; Y399-F654 HydrophobicContact CE2-CE2 3.78Å; Y399-F654 AromaticContact CE2-CZ 3.98Å; Y399-F654 HydrophobicContact CE2-CZ 3.98Å; I518-F654 HydrophobicContact CD1-CE2 3.95Å; I518-F654 HydrophobicContact CD1-CZ 3.96Å; I518-F654 HydrophobicContact CG1-CE2 4.24Å; I518-F654 HydrophobicContact CG1-CZ 3.93Å; N650-F654 HydrophobicContact CB-CE2 4.22Å; N650-F654 WeakPolarHBondContact O-CD2 3.43Å; T651-F654 PolarHBondContact O-N 2.63Å; T651-F654 VanDerWaalsContact O-N 3.09Å; T652-F654 PolarHBondContact O-N 3.23Å
655M33.1Very low32.6Very low55 Ų5561.6 Ų61.627%0.27136%0.356SS..Hα-helixtrans-120.2-19.4-167.8-52.4-158.9-45.400115T651 L678 T679T651-M655 PolarHBondContact O-N 3.07Å; T651-M655 VanDerWaalsContact O-N 3.13Å; M655-L678 HydrophobicContact CE-CD2 4.44Å; M655-L678 HydrophobicContact CE-CG 4.25Å; M655-L678 HydrophobicContact SD-CD2 3.76Å; M655-L678 HydrophobicContact SD-CG 4.22Å; M655-T679 HydrophobicContact CE-CG2 4.48Å
656D30.9Very low32Very low90 Ų9060 Ų6048%0.48136%0.359SS..  trans-96.37.1-180-79.8-49.2000114.8T652 G658 R683T652-D656 WeakPolarHBondContact O-CB 3.05Å; T652-D656 PolarHBondContact O-N 3.16Å; T652-D656 VanDerWaalsContact O-N 3.12Å; D656-G658 PolarHBondContact O-N 3.11Å; D656-R683 IonicContact OD1-CZ 3.74Å; D656-R683 IonicContact OD1-NH2 2.64Å; D656-R683 PolarHBondContact OD1-NH2 2.84Å; D656-R683 IonicContact OD2-CZ 3.78Å; D656-R683 IonicContact OD2-NH2 2.7Å; D656-R683 PolarHBondContact OD2-NH2 3.2Å
657K29.3Very low31.4Very low62 Ų6266.6 Ų66.627%0.2739%0.388SS..  trans-70.581.6166.8-86-163.9172.1-170.60109.9E387 Y538 L659E387-K657 IonicContact OE1-NZ 2.63Å; E387-K657 PolarHBondContact OE1-NZ 2.83Å; E387-K657 IonicContact OE2-NZ 3.43Å; E387-K657 PolarHBondContact OE2-NZ 3.34Å; Y538-K657 PolarHBondContact OH-NZ 2.7Å; K657-L659 PolarHBondContact O-N 3.12Å
658G29.5Very low30.8Very low33 Ų3370 Ų7034%0.3441%0.406SS..  trans-56.2118.9163.800000109.3D656 V660D656-G658 PolarHBondContact O-N 3.11Å; G658-V660 PolarHBondContact O-N 3.37Å
659L27.3Very low30.2Very low30 Ų3066.8 Ų66.816%0.15740%0.397CS..EExtended strand (participates in β ladder)trans-75.897.1-174-73.3169.5000109.3I384 Y529 K657 A661 V669 F671I384-L659 HydrophobicContact CD1-CD2 4.06Å; I384-L659 HydrophobicContact CG1-CD2 4.28Å; Y529-L659 HydrophobicContact CE2-CD2 4.16Å; Y529-L659 WeakPolarHBondContact OH-CD2 3.41Å; K657-L659 PolarHBondContact O-N 3.12Å; L659-A661 PolarHBondContact O-N 2.92Å; L659-V669 VanDerWaalsContact O-O 3.07Å; L659-F671 HydrophobicContact CB-CB 4.12Å; L659-F671 PolarHBondContact N-O 3.04Å; L659-F671 PolarHBondContact O-N 3.32Å
660V25.5Very low29.5Very low74 Ų7466.6 Ų66.645%0.44840%0.395SS..EExtended strand (participates in β ladder)trans-73.294.2167.6-176.50000108.2G658 N668 T670G658-V660 PolarHBondContact O-N 3.37Å; V660-N668 HydrophobicContact CG1-CB 3.86Å; V660-T670 HydrophobicContact CG2-CG2 4.21Å
661A25.8Very low29Very low11 Ų1170.8 Ų70.89%0.09141%0.413CS..EExtended strand (participates in β ladder)trans-100.3138.4171.600000109.5L376 L659 V669 F671L376-A661 HydrophobicContact CD2-CB 4.47Å; L659-A661 PolarHBondContact O-N 2.92Å; A661-V669 PolarHBondContact N-O 2.73Å; A661-V669 PolarHBondContact O-N 2.64Å; A661-F671 HydrophobicContact CB-CD2 4.1Å; A661-F671 HydrophobicContact CB-CE2 3.95Å
662M24Very low28.7Very low125 Ų12574.2 Ų74.262%0.61644%0.438SS*.EExtended strand (participates in β ladder)trans-90.3128.1177.9-166.3-177.3-62.500109.3
663T27.6Very low28.4Very low60 Ų6074 Ų7437%0.36844%0.443SS..PPolyproline II helixtrans-70.4166.8175.6650000111.5A665 G666 K667 V669T663-A665 PolarHBondContact O-N 3.14Å; T663-A665 PolarHBondContact OG1-N 2.82Å; T663-G666 PolarHBondContact O-N 2.92Å; T663-K667 PolarHBondContact N-O 3.39Å; T663-K667 PolarHBondContact OG1-N 3.13Å; T663-K667 PolarHBondContact OG1-O 2.91Å; T663-V669 HydrophobicContact CG2-CB 4.47Å; T663-V669 HydrophobicContact CG2-CG2 3.59Å
664T28.3Very low27.9Very low161 Ų16177.5 Ų77.599%0.98847%0.467SS*.THydrogen-bonded Turntrans-55.9-17.6170.248.10000114
665A28.4Very low27.6Very low87 Ų8780.8 Ų80.872%0.71949%0.491SS*.THydrogen-bonded Turntrans-97.218.817400000113.5T663 K667T663-A665 PolarHBondContact O-N 3.14Å; T663-A665 PolarHBondContact OG1-N 2.82Å; A665-K667 PolarHBondContact O-N 3.49Å
666G27Very low27.3Very low52 Ų5281.5 Ų81.554%0.53650%0.498SS..SBendtrans71.112176.400000115.2T663T663-G666 PolarHBondContact O-N 2.92Å
667K26.1Very low27Very low146 Ų14684 Ų8464%0.63551%0.509SS*.  trans-98.2125.4-173.4-156.7174.7-172.8178.90110.7T663 A665 V669T663-K667 PolarHBondContact N-O 3.39Å; T663-K667 PolarHBondContact OG1-N 3.13Å; T663-K667 PolarHBondContact OG1-O 2.91Å; A665-K667 PolarHBondContact O-N 3.49Å; K667-V669 PolarHBondContact O-N 3.04Å
668N27.5Very low27Very low104 Ų10482.5 Ų82.556%0.55650%0.503SS*.EExtended strand (participates in β ladder)trans-65.6126.3173.7-73-7.8000110.5V660V660-N668 HydrophobicContact CG1-CB 3.86Å
669V25.1Very low26.9Very low54 Ų5481.6 Ų81.633%0.32749%0.492SS..EExtended strand (participates in β ladder)trans-122.2119.7172.71740000107.9L659 A661 T663 K667 F671L659-V669 VanDerWaalsContact O-O 3.07Å; A661-V669 PolarHBondContact N-O 2.73Å; A661-V669 PolarHBondContact O-N 2.64Å; T663-V669 HydrophobicContact CG2-CB 4.47Å; T663-V669 HydrophobicContact CG2-CG2 3.59Å; K667-V669 PolarHBondContact O-N 3.04Å; V669-F671 HydrophobicContact CB-CE2 4.03Å; V669-F671 HydrophobicContact CG1-CD2 3.99Å; V669-F671 HydrophobicContact CG1-CE2 3.59Å; V669-F671 HydrophobicContact CG1-CZ 3.91Å; V669-F671 PolarHBondContact O-N 2.98Å
670T26.9Very low26.8Very low87 Ų8784 Ų8453%0.53451%0.505SS..EExtended strand (participates in β ladder)trans-87.5102178.1-41.70000109.4V660 S672V660-T670 HydrophobicContact CG2-CG2 4.21Å; T670-S672 PolarHBondContact O-N 3.2Å; T670-S672 VanDerWaalsContact O-N 3.14Å
671F28.1Very low27Very low106 Ų10683.5 Ų83.547%0.46550%0.501SS..EExtended strand (participates in β ladder)trans-79.492.3167.3-61.8-98.7000108.3L659 A661 V669 A673L659-F671 HydrophobicContact CB-CB 4.12Å; L659-F671 PolarHBondContact N-O 3.04Å; L659-F671 PolarHBondContact O-N 3.32Å; A661-F671 HydrophobicContact CB-CD2 4.1Å; A661-F671 HydrophobicContact CB-CE2 3.95Å; V669-F671 HydrophobicContact CB-CE2 4.03Å; V669-F671 HydrophobicContact CG1-CD2 3.99Å; V669-F671 HydrophobicContact CG1-CE2 3.59Å; V669-F671 HydrophobicContact CG1-CZ 3.91Å; V669-F671 PolarHBondContact O-N 2.98Å; F671-A673 PolarHBondContact O-N 3.11Å
672S29.6Very low27.2Very low91 Ų9185.6 Ų85.664%0.63651%0.511SS*.PPolyproline II helixtrans-60.8125.3158.6-61.10000107.9T670T670-S672 PolarHBondContact O-N 3.2Å; T670-S672 VanDerWaalsContact O-N 3.14Å
673A28.1Very low27.5Very low70 Ų7085.4 Ų85.458%0.57950%0.503SS*.PPolyproline II helixtrans-56.6133.2161.500000107.6F671F671-A673 PolarHBondContact O-N 3.11Å
674P25.3Very low27.5Very low105 Ų10586.4 Ų86.468%0.68251%0.506SS*.PPolyproline II helixtrans-56.6132.9-179.622.6-32.5000108.9T676P674-T676 VanDerWaalsContact C-N 3.3Å; P674-T676 PolarHBondContact O-N 3.16Å
675P27Very low27.3Very low93 Ų9382 Ų8260%0.60449%0.493SS*.  trans-68.690.1-174.227.3-34.4000109.9
676T27Very low27.1Very low71 Ų7182 Ų8244%0.43649%0.493SS..  trans-58.6158176.164.60000110.5P674 L678 T679P674-T676 VanDerWaalsContact C-N 3.3Å; P674-T676 PolarHBondContact O-N 3.16Å; T676-L678 PolarHBondContact O-N 2.77Å; T676-L678 WeakPolarHBondContact OG1-CB 3.48Å; T676-T679 WeakPolarHBondContact O-CB 3.41Å; T676-T679 PolarHBondContact O-N 3.41Å
677M23.9Very low27Very low142 Ų14286.9 Ų86.970%0.750%0.495SS*.Hα-helixtrans-51.4-29.1175.5-159.5-165.7-150.500112.5N680 V681M677-N680 PolarHBondContact O-N 2.98Å; M677-V681 HydrophobicContact CG-CG2 4.28Å; M677-V681 WeakPolarHBondContact O-CB 3.36Å; M677-V681 VanDerWaalsContact O-CG2 3.23Å; M677-V681 WeakPolarHBondContact O-CG2 3.33Å; M677-V681 PolarHBondContact O-N 3.04Å
678L29.7Very low26.9Very low30 Ų3088.8 Ų88.816%0.15750%0.5CS..Hα-helixtrans-60.7-43.5173.6-17769.1000113.1Q359 M655 T676 N680 V681 I682Q359-L678 HydrophobicContact CB-CD1 4.13Å; Q359-L678 VanDerWaalsContact CD-CD1 3.47Å; Q359-L678 HydrophobicContact CG-CD1 4.11Å; M655-L678 HydrophobicContact CE-CD2 4.44Å; M655-L678 HydrophobicContact CE-CG 4.25Å; M655-L678 HydrophobicContact SD-CD2 3.76Å; M655-L678 HydrophobicContact SD-CG 4.22Å; T676-L678 PolarHBondContact O-N 2.77Å; T676-L678 WeakPolarHBondContact OG1-CB 3.48Å; L678-N680 VanDerWaalsContact C-N 3.34Å; L678-N680 PolarHBondContact O-N 3.02Å; L678-V681 PolarHBondContact O-N 3.43Å; L678-I682 HydrophobicContact CD1-CD1 3.52Å; L678-I682 HydrophobicContact CD1-CG1 4.13Å; L678-I682 HydrophobicContact CG-CD1 4Å; L678-I682 WeakPolarHBondContact O-CB 3.15Å; L678-I682 WeakPolarHBondContact O-CG1 3.43Å; L678-I682 PolarHBondContact O-N 3.19Å
679T25.9Very low26.5Very low15 Ų1587.7 Ų87.79%0.09251%0.505CS..Hα-helixtrans-61-45.5178.8-53.90000110.5M655 T676 R683M655-T679 HydrophobicContact CE-CG2 4.48Å; T676-T679 WeakPolarHBondContact O-CB 3.41Å; T676-T679 PolarHBondContact O-N 3.41Å; T679-R683 WeakPolarHBondContact O-CB 3.33Å; T679-R683 PolarHBondContact O-N 2.85Å; T679-R683 VanDerWaalsContact O-N 3.12Å
680N26.4Very low26.3Very low81 Ų8189.8 Ų89.843%0.43353%0.529SS..Hα-helixtrans-72.5-42.3179.5-66.3-8.5000112M677 L678 I682 R683 N684M677-N680 PolarHBondContact O-N 2.98Å; L678-N680 VanDerWaalsContact C-N 3.34Å; L678-N680 PolarHBondContact O-N 3.02Å; N680-I682 PolarHBondContact O-N 3.23Å; N680-R683 PolarHBondContact O-N 3.06Å; N680-N684 WeakPolarHBondContact O-CA 3.33Å; N680-N684 VanDerWaalsContact O-CB 3.28Å; N680-N684 WeakPolarHBondContact O-CB 3.43Å; N680-N684 PolarHBondContact O-N 2.82Å
681V29.6Very low26.3Very low62 Ų6291.5 Ų91.538%0.37654%0.541SS..Hα-helixtrans-68.1-34.2-179.4169.50000112.9M677 L678 G685M677-V681 HydrophobicContact CG-CG2 4.28Å; M677-V681 WeakPolarHBondContact O-CB 3.36Å; M677-V681 VanDerWaalsContact O-CG2 3.23Å; M677-V681 WeakPolarHBondContact O-CG2 3.33Å; M677-V681 PolarHBondContact O-N 3.04Å; L678-V681 PolarHBondContact O-N 3.43Å; V681-G685 WeakPolarHBondContact O-CA 3.41Å; V681-G685 PolarHBondContact O-N 2.8Å
682I30.6Very low25.9Very low56 Ų5693.2 Ų93.229%0.28756%0.56SS.*Hα-helixtrans-79.5-34.6176.8-66.9-179.2000111.8T651 L678 N680T651-I682 HydrophobicContact CG2-CD1 4.36Å; L678-I682 HydrophobicContact CD1-CD1 3.52Å; L678-I682 HydrophobicContact CD1-CG1 4.13Å; L678-I682 HydrophobicContact CG-CD1 4Å; L678-I682 WeakPolarHBondContact O-CB 3.15Å; L678-I682 WeakPolarHBondContact O-CG1 3.43Å; L678-I682 PolarHBondContact O-N 3.19Å; N680-I682 PolarHBondContact O-N 3.23Å
683R29.3Very low25.5Very low121 Ų12196.8 Ų96.846%0.45757%0.57SS.*Hα-helixtrans-81.5-42.4-178.3-171.5179.7-68.1164.1-1.4112.8D656 T679 N680D656-R683 IonicContact OD1-CZ 3.74Å; D656-R683 IonicContact OD1-NH2 2.64Å; D656-R683 PolarHBondContact OD1-NH2 2.84Å; D656-R683 IonicContact OD2-CZ 3.78Å; D656-R683 IonicContact OD2-NH2 2.7Å; D656-R683 PolarHBondContact OD2-NH2 3.2Å; T679-R683 WeakPolarHBondContact O-CB 3.33Å; T679-R683 PolarHBondContact O-N 2.85Å; T679-R683 VanDerWaalsContact O-N 3.12Å; N680-R683 PolarHBondContact O-N 3.06Å
684N27.8Very low25Very low80 Ų8096.7 Ų96.743%0.42858%0.576SS.*SBendtrans-104.719.1-177.1-55.615.3000112N680 A686N680-N684 WeakPolarHBondContact O-CA 3.33Å; N680-N684 VanDerWaalsContact O-CB 3.28Å; N680-N684 WeakPolarHBondContact O-CB 3.43Å; N680-N684 PolarHBondContact O-N 2.82Å; N684-A686 CarbonylContact O-C 3.43Å; N684-A686 PolarHBondContact O-N 3.12Å
685G24.1Very low24.8Very low70 Ų7097.1 Ų97.172%0.72258%0.581SS**SBendtrans-63.412.1168.700000114.6V681V681-G685 WeakPolarHBondContact O-CA 3.41Å; V681-G685 PolarHBondContact O-N 2.8Å
686A23.9Very low24.5Very low87 Ų8799.5 Ų99.572%0.71959%0.588SS**SBendtrans-132.2102.5156.800000108.3N684N684-A686 CarbonylContact O-C 3.43Å; N684-A686 PolarHBondContact O-N 3.12Å
687R25.6Very low24.4Very low153 Ų153104 Ų10458%0.57761%0.609SS**SBendtrans72.5127167.3-74.9-175.9172.31720.4120.5E211E211-R687 WeakPolarHBondContact OE1-CG 3.49Å; E211-R687 IonicContact OE1-CZ 3.25Å; E211-R687 IonicContact OE1-NE 2.78Å; E211-R687 PolarHBondContact OE1-NE 3.4Å; E211-R687 IonicContact OE1-NH2 2.67Å; E211-R687 PolarHBondContact OE1-NH2 3.24Å; E211-R687 VanDerWaalsContact OE1-NH2 3.08Å; E211-R687 IonicContact OE2-NH2 2.88Å; E211-R687 PolarHBondContact OE2-NH2 3.33Å; E211-R687 VanDerWaalsContact OE2-NH2 3.08Å
688Y22.7Very low24.3Very low186 Ų186101 Ų10173%0.72960%0.595SS**  trans70.6120.1163.3-49.9-58.4000118.4
689A19.7Very low24Very low81 Ų81106.9 Ų106.967%0.66962%0.62SS**  trans-88.2-175.8160.400000110.8
690A22.4Very low23.9Very low99 Ų99109.2 Ų109.282%0.81865%0.647SS**SBendtrans74.4153.1-168.600000114.9
691P25.4Very low23.8Very low123 Ų123110.9 Ų110.980%0.79966%0.655SS**  trans-105.6142.7-149.637.4-32.9000115.5
692V19.8Very low23.5Very low141 Ų141112.7 Ų112.786%0.85566%0.66SS**  trans-135.6133.5164.7178.90000110.3
693I20.7Very low23.3Very low167 Ų167114.3 Ų114.386%0.85667%0.672SS**  trans-89.6136.4176.6-64.9170.8000109.9
694G18.6Very low23.3Very low67 Ų67112.1 Ų112.169%0.69168%0.68SS**SBendtrans75.9101.4153.200000117.9
695S20.1Very low23.4Very low114 Ų114115.1 Ų115.180%0.79770%0.696SS**  trans175.4-21.5151.737.80000113.5L697S695-L697 PolarHBondContact O-N 3.11Å
696L20.4Very low23.5Very low144 Ų144115 Ų11575%0.75470%0.695SS**THydrogen-bonded Turntrans-7340.9-173.2-78.6166.6000116
697L24.9Very low23.6Very low166 Ų166119.7 Ų119.787%0.86970%0.702SS**THydrogen-bonded Turntrans-100-5.8-177.2-117.3171.5000115.6S695S695-L697 PolarHBondContact O-N 3.11Å
698D23.3Very low23.8Very low78 Ų78119.5 Ų119.542%0.41771%0.713SS.*SBendtrans-133.5-9.5-176.6-159.930.5000116.1G700 L701 Q702D698-G700 PolarHBondContact O-N 3.03Å; D698-L701 PolarHBondContact O-N 2.9Å; D698-L701 VanDerWaalsContact O-N 3.11Å; D698-Q702 PolarHBondContact O-N 2.83Å; D698-Q702 PolarHBondContact OD2-NE2 2.89Å
699F23.7Very low24Very low154 Ų154116.4 Ų116.468%0.67571%0.713SS**Hα-helixtrans-62.2-29.9-179.6-167.4-99.3000113.2L701 T703F699-L701 VanDerWaalsContact C-N 3.35Å; F699-T703 HydrophobicContact CD1-CG2 4.42Å; F699-T703 HydrophobicContact CE1-CG2 4.06Å; F699-T703 HydrophobicContact CE2-CG2 4.46Å; F699-T703 HydrophobicContact CZ-CG2 4.08Å; F699-T703 WeakPolarHBondContact O-CG2 3.33Å; F699-T703 PolarHBondContact O-OG1 3.37Å
700G22.8Very low24.3Very low64 Ų64114.8 Ų114.866%0.6670%0.704SS**Hα-helixtrans-77.8-12178.300000115.3D698D698-G700 PolarHBondContact O-N 3.03Å
701L24.6Very low24.4Very low116 Ų116116.2 Ų116.261%0.60770%0.698SS**Hα-helixtrans-98.4-46.3178.8-93.6160.3000111.7D698 F699 T703 A704D698-L701 PolarHBondContact O-N 2.9Å; D698-L701 VanDerWaalsContact O-N 3.11Å; F699-L701 VanDerWaalsContact C-N 3.35Å; L701-T703 VanDerWaalsContact C-N 3.34Å; L701-T703 PolarHBondContact O-N 3.41Å; L701-A704 WeakPolarHBondContact O-CB 3.42Å; L701-A704 PolarHBondContact O-N 3.4Å; L701-A704 VanDerWaalsContact O-N 3.12Å
702Q23.7Very low24.4Very low100 Ų100112.4 Ų112.447%0.46768%0.677SS.*Hα-helixtrans-65.5-36.3-179.3-59.5-169.115.600112.4D698 A704 N705 G706D698-Q702 PolarHBondContact O-N 2.83Å; D698-Q702 PolarHBondContact OD2-NE2 2.89Å; Q702-A704 PolarHBondContact O-N 3.05Å; Q702-N705 PolarHBondContact O-N 2.73Å; Q702-G706 PolarHBondContact O-N 3.3Å
703T26.9Very low24.6Very low90 Ų90112.4 Ų112.455%0.55267%0.671SS**Hα-helixtrans-67.6-15.7175.5510000114.2F699 L701F699-T703 HydrophobicContact CD1-CG2 4.42Å; F699-T703 HydrophobicContact CE1-CG2 4.06Å; F699-T703 HydrophobicContact CE2-CG2 4.46Å; F699-T703 HydrophobicContact CZ-CG2 4.08Å; F699-T703 WeakPolarHBondContact O-CG2 3.33Å; F699-T703 PolarHBondContact O-OG1 3.37Å; L701-T703 VanDerWaalsContact C-N 3.34Å; L701-T703 PolarHBondContact O-N 3.41Å
704A28.1Very low24.7Very low75 Ų75110.1 Ų110.162%0.6266%0.664SS**Hα-helixtrans-81.9-22175.500000113.4L701 Q702L701-A704 WeakPolarHBondContact O-CB 3.42Å; L701-A704 PolarHBondContact O-N 3.4Å; L701-A704 VanDerWaalsContact O-N 3.12Å; Q702-A704 PolarHBondContact O-N 3.05Å
705N30.2Very low25Very low142 Ų142115.6 Ų115.676%0.75967%0.669SS**Hα-helixtrans-105.9-5.3-176.1-74.7-12.8000114.5Q702Q702-N705 PolarHBondContact O-N 2.73Å
706G27.1Very low25.3Very low69 Ų69115.8 Ų115.871%0.71167%0.666SS**THydrogen-bonded Turntrans80.820.3158.600000117.7Q702Q702-G706 PolarHBondContact O-N 3.3Å
707E24.9Very low25.3Very low185 Ų185112.6 Ų112.686%0.86467%0.667SS**  trans-82.8165.2173.3-71.6-164.2128.500113.6
708N29.1Very low25Very low149 Ų149108 Ų10880%0.79765%0.654SS**  trans-84.1143.2-164.1-160.8-16.2000113G710N708-G710 PolarHBondContact O-N 3.24Å
709V27.9Very low24.9Very low120 Ų120113.5 Ų113.573%0.72768%0.677SS**THydrogen-bonded Turntrans-66.3-14.6-162.1-177.20000114.6
710G24.9Very low24.7Very low48 Ų48111.3 Ų111.350%0.49569%0.687SS.*THydrogen-bonded Turntrans-69.1-49.2-173.600000115.6N708N708-G710 PolarHBondContact O-N 3.24Å
711D25.3Very low24.5Very low128 Ų128112 Ų11268%0.68469%0.686SS**G310 helixtrans-81.3-21.4-163.7-86.213.9000114.4I713 V714D711-I713 PolarHBondContact O-N 3.45Å; D711-V714 PolarHBondContact O-N 3.28Å
712A26Very low24.3Very low44 Ų44115.1 Ų115.136%0.36470%0.702SS.*G310 helixtrans-64.3-23.2-176.300000113.7T716A712-T716 PolarHBondContact O-OG1 3.21Å
713I23.8Very low24.1Very low141 Ų141113.8 Ų113.872%0.72372%0.715SS**G310 helixtrans-74.1-31.7-178.9-66.1170.6000111.7D711D711-I713 PolarHBondContact O-N 3.45Å
714V22.8Very low23.7Very low118 Ų118117.1 Ų117.172%0.71574%0.735SS**THydrogen-bonded Turntrans-83.8-31-164.9-177.60000113.2D711D711-V714 PolarHBondContact O-N 3.28Å
715K24.9Very low23.3Very low183 Ų183117.2 Ų117.280%0.79674%0.743SS**THydrogen-bonded Turntrans-84.5-16.8-172.9-77.6178.1179.2165.50115.4G717K715-G717 VanDerWaalsContact C-N 3.3Å; K715-G717 PolarHBondContact O-N 3.2Å
716T25.2Very low22.9Very low117 Ų117115.3 Ų115.372%0.71875%0.747SS**THydrogen-bonded Turntrans-87.63.2-175-370000113.1A712 A718A712-T716 PolarHBondContact O-OG1 3.21Å; T716-A718 PolarHBondContact O-N 3.1Å; T716-A718 VanDerWaalsContact O-N 3.1Å
717G21.2Very low22.5Very low77 Ų77116.5 Ų116.579%0.79475%0.75SS**SBendtrans-76.117.5-177.300000116.6K715K715-G717 VanDerWaalsContact C-N 3.3Å; K715-G717 PolarHBondContact O-N 3.2Å
718A19.4Very low22.3Very low71 Ų71118 Ų11859%0.58775%0.754SS**  trans-143.5165.3-179.100000111.6T716T716-A718 PolarHBondContact O-N 3.1Å; T716-A718 VanDerWaalsContact O-N 3.1Å
719H20.8Very low21.9Very low193 Ų193116 Ų11689%0.89476%0.758SS**  trans73.533.4-176.5-63.4-92000117.2A721H719-A721 PolarHBondContact O-N 3.44Å
720A19.5Very low21.7Very low107 Ų107114.3 Ų114.388%0.88477%0.765SS**  trans-88.178.6150.800000110.6
721A19.1Very low21.5Very low79 Ų79116.7 Ų116.765%0.65378%0.78SS**  trans-165.5133.116900000114H719H719-A721 PolarHBondContact O-N 3.44Å
722I19.2Very low21.3Very low181 Ų181116.9 Ų116.993%0.92879%0.786SS**  trans65.5128.2156.2-58159.8000116.9
723G19.4Very low21.3Very low73 Ų73126.9 Ų126.975%0.75383%0.832SS**  trans177.6-6.8176.700000117.3G725G723-G725 PolarHBondContact O-N 3.45Å
724V18.7Very low21.2Very low159 Ų159126.2 Ų126.296%0.96484%0.838SS**  trans-75.2105.2174.3178.90000109.6
725G19.1Very low21.1Very low77 Ų77126.6 Ų126.679%0.79484%0.844SS**  trans160.355.5176.300000116.6G723G723-G725 PolarHBondContact O-N 3.45Å
726A21.8Very low20.9Very low102 Ų102123.5 Ų123.584%0.84385%0.847SS**  trans-145.238.9176.300000114.1
727A20Very low20.6Very low94 Ų94123.9 Ų123.978%0.77785%0.854SS**  trans-108.8140.8165.500000109.3
728K20.5Very low20.6Very low216 Ų216126.8 Ų126.894%0.93986%0.858SS**  trans77.679.8-171.3-57.8-179174.5-179.50116.9
729A20.9Very low20.7Very low107 Ų107130.5 Ų130.588%0.88488%0.876SS**  trans-153.3145.3137.300000108.1
730G23.7Very low20.7Very low85 Ų85126.1 Ų126.188%0.87688%0.875SS**  trans101.537.9178.900000116.5
731A20Very low20.8Very low99 Ų99127.5 Ų127.582%0.81887%0.874SS**  trans-133.644.2172.900000112.4
732T22Very low20.9Very low131 Ų131131.6 Ų131.680%0.80489%0.893SS**  trans-158.2118.1168.137.10000108.9
733L25.4Very low21Very low255 Ų255127.1 Ų127.1100%1.33589%0.89SS**  trans59.70177.5-58.5174.9000114.9

Retrieved 733 of 733 residues in 4705.8 ms (Link to these results)

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