A0A077ZGN2_TRITR Loading...

DnaJ like protein subfamily C member 13

AlphaFold DB , UniProt , Accession A0A077ZGN2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 932 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
1M63.4Low79.6Confident164 Ų16490.5 Ų90.581%0.80845%0.451SS*.  0-47.90-72.1-150.8-3800109.3E3 I4 D5M1-E3 VanDerWaalsContact C-N 3.33Å; M1-E3 PolarHBondContact O-N 3.23Å; M1-I4 WeakPolarHBondContact O-CA 3.44Å; M1-I4 WeakPolarHBondContact O-CB 3.44Å; M1-I4 PolarHBondContact O-N 3.33Å; M1-D5 PolarHBondContact O-N 2.89Å
2E73Confident80.3Confident162 Ų16283 Ų8376%0.75741%0.414SS*.Hα-helixtrans-46.6-49.3174.3-66.9174.5171.400113.5I4 D5 E6E2-I4 VanDerWaalsContact C-N 3.28Å; E2-I4 PolarHBondContact O-N 2.89Å; E2-D5 PolarHBondContact O-N 3.19Å; E2-D5 VanDerWaalsContact O-N 3.15Å; E2-E6 PolarHBondContact O-N 3.4Å
3E77.8Confident80.7Confident156 Ų15680.5 Ų80.573%0.72941%0.406SS*.Hα-helixtrans-61.9-29.7175.7-66.1178.4174.900114.4M1 L7M1-E3 VanDerWaalsContact C-N 3.33Å; M1-E3 PolarHBondContact O-N 3.23Å; E3-L7 WeakPolarHBondContact O-CG 3.41Å; E3-L7 PolarHBondContact O-N 3.35Å
4I77.7Confident81.2Confident72 Ų7282.1 Ų82.137%0.36942%0.415SS..Hα-helixtrans-77-37.7176.5-65.3176.2000110M1 E2 L7 R8 L33M1-I4 WeakPolarHBondContact O-CA 3.44Å; M1-I4 WeakPolarHBondContact O-CB 3.44Å; M1-I4 PolarHBondContact O-N 3.33Å; E2-I4 VanDerWaalsContact C-N 3.28Å; E2-I4 PolarHBondContact O-N 2.89Å; I4-L7 PolarHBondContact O-N 3.1Å; I4-R8 WeakPolarHBondContact O-CB 3.26Å; I4-R8 PolarHBondContact O-N 3.02Å; I4-L33 HydrophobicContact CG2-CD2 3.66Å
5D74.9Confident81.6Confident60 Ų6077.1 Ų77.132%0.32139%0.391SS..Hα-helixtrans-64.8-42177.1-63.2-40.4000110.5M1 E2 L7 R8M1-D5 PolarHBondContact O-N 2.89Å; E2-D5 PolarHBondContact O-N 3.19Å; E2-D5 VanDerWaalsContact O-N 3.15Å; D5-L7 VanDerWaalsContact C-N 3.32Å; D5-L7 PolarHBondContact O-N 3.15Å; D5-R8 WeakPolarHBondContact O-CB 3.36Å; D5-R8 PolarHBondContact O-N 3.37Å; D5-R8 IonicContact OD1-CZ 3.58Å; D5-R8 IonicContact OD1-NH1 3.52Å; D5-R8 PolarHBondContact OD1-NH1 3.36Å; D5-R8 IonicContact OD1-NH2 2.78Å; D5-R8 PolarHBondContact OD1-NH2 3.01Å
6E79.2Confident81.8Confident146 Ų14675.1 Ų75.168%0.68238%0.38SS*.Hα-helixtrans-61.2-37174.5-74.6-176.2173.900112.9E2E2-E6 PolarHBondContact O-N 3.4Å
7L84.1Confident81.9Confident97 Ų9778.5 Ų78.551%0.50840%0.399SS..Hα-helixtrans-88.9-12.7-178.4-66.7175.1000113.8E3 I4 D5 W9 S10 L11E3-L7 WeakPolarHBondContact O-CG 3.41Å; E3-L7 PolarHBondContact O-N 3.35Å; I4-L7 PolarHBondContact O-N 3.1Å; D5-L7 VanDerWaalsContact C-N 3.32Å; D5-L7 PolarHBondContact O-N 3.15Å; L7-W9 PolarHBondContact O-N 3.14Å; L7-S10 PolarHBondContact O-N 3.18Å; L7-L11 HydrophobicContact CB-CD1 4.21Å; L7-L11 HydrophobicContact CB-CG 4.47Å; L7-L11 WeakPolarHBondContact O-CB 3.33Å; L7-L11 VanDerWaalsContact O-CG 3.31Å; L7-L11 WeakPolarHBondContact O-CG 3.46Å; L7-L11 PolarHBondContact O-N 3.46Å
8R86Confident82Confident15 Ų1577.5 Ų77.56%0.05740%0.398CS..Hα-helixtrans-53.9-56.5-171.5173.6-176.9-70.5122.112.8112.1I4 D5 C12 L33 W35I4-R8 WeakPolarHBondContact O-CB 3.26Å; I4-R8 PolarHBondContact O-N 3.02Å; D5-R8 WeakPolarHBondContact O-CB 3.36Å; D5-R8 PolarHBondContact O-N 3.37Å; D5-R8 IonicContact OD1-CZ 3.58Å; D5-R8 IonicContact OD1-NH1 3.52Å; D5-R8 PolarHBondContact OD1-NH1 3.36Å; D5-R8 IonicContact OD1-NH2 2.78Å; D5-R8 PolarHBondContact OD1-NH2 3.01Å; R8-C12 PolarHBondContact O-N 3.11Å; R8-C12 VanDerWaalsContact O-N 3.1Å; R8-L33 HydrophobicContact CG-CB 4.41Å; R8-L33 PolarHBondContact NE-O 3.24Å; R8-W35 PolarHBondContact O-NE1 3.29Å; R8-W35 VanDerWaalsContact O-NE1 3.15Å
9W85.4Confident81.8Confident7 Ų776.8 Ų76.83%0.02741%0.405CS..Hα-helixtrans-80.6-31.3-174.5-60.5125.5000111.8L7 L11 C12 T13 E38 E39 N40 T41 E43 I44 L49L7-W9 PolarHBondContact O-N 3.14Å; W9-L11 PolarHBondContact O-N 2.99Å; W9-C12 HydrophobicContact CE3-CB 4.34Å; W9-C12 WeakPolarHBondContact O-CB 3.25Å; W9-C12 PolarHBondContact O-N 2.93Å; W9-T13 WeakPolarHBondContact O-CB 3.42Å; W9-T13 PolarHBondContact O-N 3.23Å; W9-T13 PolarHBondContact O-OG1 3.31Å; W9-E38 HydrophobicContact CZ2-CB 4.39Å; W9-E39 WeakPolarHBondContact CZ2-O 3.4Å; W9-N40 HydrophobicContact CH2-CB 4.25Å; W9-N40 HydrophobicContact CZ2-CB 4.39Å; W9-T41 VanDerWaalsContact CD1-OG1 3.31Å; W9-T41 PolarHBondContact NE1-OG1 2.82Å; W9-E43 HydrophobicContact CB-CB 4.14Å; W9-E43 WeakPolarHBondContact CB-OE2 3.37Å; W9-I44 HydrophobicContact CE3-CD1 4.1Å; W9-L49 HydrophobicContact CH2-CD2 4.33Å; W9-L49 HydrophobicContact CZ3-CD1 4.37Å; W9-L49 HydrophobicContact CZ3-CD2 3.88Å
10S86.2Confident81.8Confident54 Ų5476.4 Ų76.438%0.37840%0.4SS..Hα-helixtrans-59.5-45.4168.9-72.10000112.3L7 T13 I14L7-S10 PolarHBondContact O-N 3.18Å; S10-T13 PolarHBondContact O-N 3.21Å; S10-I14 VanDerWaalsContact O-CG1 3.31Å; S10-I14 WeakPolarHBondContact O-CG1 3.45Å; S10-I14 PolarHBondContact O-N 3.03Å
11L88.4Confident81.8Confident63 Ų6375.4 Ų75.433%0.3340%0.396SS..Hα-helixtrans-68.8-35.1175.7-73172.2000112.2L7 W9 I14 A15 L33L7-L11 HydrophobicContact CB-CD1 4.21Å; L7-L11 HydrophobicContact CB-CG 4.47Å; L7-L11 WeakPolarHBondContact O-CB 3.33Å; L7-L11 VanDerWaalsContact O-CG 3.31Å; L7-L11 WeakPolarHBondContact O-CG 3.46Å; L7-L11 PolarHBondContact O-N 3.46Å; W9-L11 PolarHBondContact O-N 2.99Å; L11-I14 HydrophobicContact CD2-CD1 4.43Å; L11-I14 PolarHBondContact O-N 2.7Å; L11-A15 WeakPolarHBondContact O-CB 3.44Å; L11-A15 PolarHBondContact O-N 2.91Å; L11-L33 HydrophobicContact CB-CD1 4.03Å; L11-L33 HydrophobicContact CD1-CD1 3.83Å
12C87.3Confident82.9Confident0 Ų068.7 Ų68.70%037%0.365CS..Hα-helixtrans-61.3-47.8172.8-167.50000110.8R8 W9 I14 A15 M16 W35 I44R8-C12 PolarHBondContact O-N 3.11Å; R8-C12 VanDerWaalsContact O-N 3.1Å; W9-C12 HydrophobicContact CE3-CB 4.34Å; W9-C12 WeakPolarHBondContact O-CB 3.25Å; W9-C12 PolarHBondContact O-N 2.93Å; C12-I14 VanDerWaalsContact C-N 3.34Å; C12-I14 PolarHBondContact O-N 3.5Å; C12-A15 WeakPolarHBondContact O-CB 3.17Å; C12-A15 PolarHBondContact O-N 2.91Å; C12-A15 VanDerWaalsContact O-N 3.11Å; C12-M16 WeakPolarHBondContact O-CG 3.26Å; C12-M16 PolarHBondContact O-N 3.42Å; C12-W35 VanDerWaalsContact CA-CZ2 3.42Å; C12-W35 HydrophobicContact CB-CD2 4.14Å; C12-W35 HydrophobicContact CB-CH2 4.26Å; C12-W35 HydrophobicContact CB-CZ2 3.7Å; C12-I44 HydrophobicContact CB-CD1 3.74Å
13T86.1Confident83.6Confident51 Ų5162.9 Ų62.931%0.31334%0.337SS..Hα-helixtrans-58.7-42.7175.5-56.10000111.8W9 S10 M16 N17W9-T13 WeakPolarHBondContact O-CB 3.42Å; W9-T13 PolarHBondContact O-N 3.23Å; W9-T13 PolarHBondContact O-OG1 3.31Å; S10-T13 PolarHBondContact O-N 3.21Å; T13-M16 PolarHBondContact O-N 2.94Å; T13-N17 WeakPolarHBondContact CG2-ND2 3.48Å; T13-N17 WeakPolarHBondContact O-CB 3.25Å; T13-N17 PolarHBondContact O-N 2.89Å; T13-N17 PolarHBondContact O-ND2 3.48Å
14I87.6Confident83.9Confident103 Ų10360.9 Ų60.953%0.52833%0.328SS..Hα-helixtrans-63.3-45175.7-68.8164.3000110.6S10 L11 C12 N17 T18S10-I14 VanDerWaalsContact O-CG1 3.31Å; S10-I14 WeakPolarHBondContact O-CG1 3.45Å; S10-I14 PolarHBondContact O-N 3.03Å; L11-I14 HydrophobicContact CD2-CD1 4.43Å; L11-I14 PolarHBondContact O-N 2.7Å; C12-I14 VanDerWaalsContact C-N 3.34Å; C12-I14 PolarHBondContact O-N 3.5Å; I14-N17 PolarHBondContact O-N 3.1Å; I14-T18 PolarHBondContact O-N 3.42Å; I14-T18 VanDerWaalsContact O-N 3.13Å; I14-T18 PolarHBondContact O-OG1 3.45Å
15A87.3Confident84.3Confident7 Ų761.1 Ų61.16%0.05834%0.335CS..Hα-helixtrans-63.1-43.6178.800000111.8L11 C12 N17 T18 L21 W35 F52L11-A15 WeakPolarHBondContact O-CB 3.44Å; L11-A15 PolarHBondContact O-N 2.91Å; C12-A15 WeakPolarHBondContact O-CB 3.17Å; C12-A15 PolarHBondContact O-N 2.91Å; C12-A15 VanDerWaalsContact O-N 3.11Å; A15-N17 VanDerWaalsContact C-N 3.3Å; A15-N17 PolarHBondContact O-N 2.85Å; A15-T18 PolarHBondContact O-N 2.95Å; A15-L21 HydrophobicContact CB-CD2 4.13Å; A15-W35 HydrophobicContact CB-CH2 3.89Å; A15-F52 HydrophobicContact CB-CE1 4.27Å; A15-F52 HydrophobicContact CB-CZ 3.92Å
16M84Confident84.9Confident45 Ų4558.4 Ų58.422%0.22232%0.32CS..Hα-helixtrans-60.1-38.3175.7-73.6172.169.100112.5C12 T13 T18 I44 E48 F52C12-M16 WeakPolarHBondContact O-CG 3.26Å; C12-M16 PolarHBondContact O-N 3.42Å; T13-M16 PolarHBondContact O-N 2.94Å; M16-T18 VanDerWaalsContact C-N 3.32Å; M16-I44 HydrophobicContact CE-CG2 3.72Å; M16-I44 HydrophobicContact SD-CD1 4.03Å; M16-I44 HydrophobicContact SD-CG2 3.77Å; M16-E48 HydrophobicContact CE-CB 3.66Å; M16-F52 HydrophobicContact CE-CB 4.33Å; M16-F52 HydrophobicContact CG-CB 4.01Å; M16-F52 HydrophobicContact CG-CD1 3.29Å; M16-F52 HydrophobicContact CG-CD2 3.85Å; M16-F52 HydrophobicContact CG-CE1 3.51Å; M16-F52 HydrophobicContact CG-CE2 4.06Å; M16-F52 HydrophobicContact CG-CG 3.46Å; M16-F52 VanDerWaalsContact CG-CG 3.46Å; M16-F52 HydrophobicContact CG-CZ 3.9Å; M16-F52 HydrophobicContact SD-CB 4.41Å; M16-F52 HydrophobicContact SD-CD1 4.09Å; M16-F52 HydrophobicContact SD-CG 4.37Å
17N83.5Confident85.4Confident132 Ų13253.7 Ų53.771%0.70630%0.302SS*.THydrogen-bonded Turntrans-85.6-0.4-180-71.8-58.2000114T13 I14 A15T13-N17 WeakPolarHBondContact CG2-ND2 3.48Å; T13-N17 WeakPolarHBondContact O-CB 3.25Å; T13-N17 PolarHBondContact O-N 2.89Å; T13-N17 PolarHBondContact O-ND2 3.48Å; I14-N17 PolarHBondContact O-N 3.1Å; A15-N17 VanDerWaalsContact C-N 3.3Å; A15-N17 PolarHBondContact O-N 2.85Å
18T84.8Confident85.5Confident61 Ų6154.7 Ų54.737%0.37431%0.307SS..  trans-95109.9179.8-59.20000110.2I14 A15 M16 L21I14-T18 PolarHBondContact O-N 3.42Å; I14-T18 VanDerWaalsContact O-N 3.13Å; I14-T18 PolarHBondContact O-OG1 3.45Å; A15-T18 PolarHBondContact O-N 2.95Å; M16-T18 VanDerWaalsContact C-N 3.32Å; T18-L21 HydrophobicContact CG2-CB 4.11Å; T18-L21 HydrophobicContact CG2-CD1 4.33Å
19A76.9Confident85.6Confident64 Ų6457 Ų5753%0.52932%0.32SS..SBendtrans-63.2-43.6-17500000114.4
20H83Confident85.7Confident68 Ų6857.1 Ų57.132%0.31532%0.323SS..SBendtrans-110.269.9-172.2-38.1-65.6000111.4N76 D80H20-N76 VanDerWaalsContact CD2-CG 3.45Å; H20-N76 PolarHBondContact CD2-ND2 3.49Å; H20-D80 IonicContact CE1-OD1 2.75Å; H20-D80 PolarHBondContact CE1-OD1 3.39Å; H20-D80 IonicContact CE1-OD2 3.38Å; H20-D80 PolarHBondContact CE1-OD2 3.47Å; H20-D80 IonicContact ND1-OD1 3.55Å; H20-D80 PolarHBondContact ND1-OD1 2.86Å; H20-D80 VanDerWaalsContact ND1-OD1 3.08Å
21L82Confident85.7Confident57 Ų5761 Ų6130%0.29834%0.335SS..  trans-122.1131.1-179.7-159.868.3000110.5A15 T18 F23 V26A15-L21 HydrophobicContact CB-CD2 4.13Å; T18-L21 HydrophobicContact CG2-CB 4.11Å; T18-L21 HydrophobicContact CG2-CD1 4.33Å; L21-F23 PolarHBondContact O-N 3.22Å; L21-V26 HydrophobicContact CB-CG2 4.41Å; L21-V26 HydrophobicContact CD2-CG2 3.25Å; L21-V26 HydrophobicContact CG-CG2 3.64Å
22S85.5Confident85.6Confident23 Ų2366.3 Ų66.316%0.16135%0.35CS..  trans-69.8121.1174.9173.50000110E24 C25 V26 N60S22-E24 PolarHBondContact O-N 2.9Å; S22-E24 PolarHBondContact OG-N 2.76Å; S22-C25 WeakPolarHBondContact O-CA 3.36Å; S22-C25 WeakPolarHBondContact O-CB 3.44Å; S22-C25 PolarHBondContact O-N 3.07Å; S22-V26 WeakPolarHBondContact O-CG2 3.49Å; S22-V26 PolarHBondContact O-N 3.08Å; S22-V26 VanDerWaalsContact O-N 3.1Å; S22-N60 PolarHBondContact OG-ND2 3.48Å
23F87Confident85.6Confident40 Ų4067 Ų6718%0.17535%0.354CS..Hα-helixtrans-60.9-30.3177.7-66.9-39.3000112.9L21 C25 V26 V27 F52 A55 I56 N60L21-F23 PolarHBondContact O-N 3.22Å; F23-C25 PolarHBondContact O-N 2.86Å; F23-V26 HydrophobicContact CD1-CG2 4.44Å; F23-V26 CarbonylContact O-C 2.99Å; F23-V26 WeakPolarHBondContact O-CA 3.48Å; F23-V26 PolarHBondContact O-N 3.12Å; F23-V27 WeakPolarHBondContact O-CG2 3.36Å; F23-V27 PolarHBondContact O-N 3.21Å; F23-F52 HydrophobicContact CE1-CE2 4.45Å; F23-A55 HydrophobicContact CZ-CB 4.22Å; F23-I56 HydrophobicContact CD1-CG1 3.92Å; F23-I56 HydrophobicContact CE1-CG1 4.37Å; F23-N60 PolarHBondContact N-OD1 3.33Å
24E84.1Confident85.5Confident113 Ų11369.2 Ų69.253%0.52836%0.356SS..Hα-helixtrans-58.4-37.8171.5-66.3177.2-178.600112.1S22S22-E24 PolarHBondContact O-N 2.9Å; S22-E24 PolarHBondContact OG-N 2.76Å
25C86.9Confident85.4Confident77 Ų7764.5 Ų64.552%0.5233%0.332SS..Hα-helixtrans-73.1-34.6174.4-59.60000111.7S22 F23 L28 L29S22-C25 WeakPolarHBondContact O-CA 3.36Å; S22-C25 WeakPolarHBondContact O-CB 3.44Å; S22-C25 PolarHBondContact O-N 3.07Å; F23-C25 PolarHBondContact O-N 2.86Å; C25-L28 PolarHBondContact O-N 3.47Å; C25-L29 PolarHBondContact O-N 3.02Å
26V88.4Confident84.9Confident3 Ų370.9 Ų70.92%0.01837%0.365CS..Hα-helixtrans-69.3-38.9177.3-173.40000111.7L21 S22 F23 L28 L29 A30 W35 F52 I56L21-V26 HydrophobicContact CB-CG2 4.41Å; L21-V26 HydrophobicContact CD2-CG2 3.25Å; L21-V26 HydrophobicContact CG-CG2 3.64Å; S22-V26 WeakPolarHBondContact O-CG2 3.49Å; S22-V26 PolarHBondContact O-N 3.08Å; S22-V26 VanDerWaalsContact O-N 3.1Å; F23-V26 HydrophobicContact CD1-CG2 4.44Å; F23-V26 CarbonylContact O-C 2.99Å; F23-V26 WeakPolarHBondContact O-CA 3.48Å; F23-V26 PolarHBondContact O-N 3.12Å; V26-L28 VanDerWaalsContact C-N 3.26Å; V26-L28 PolarHBondContact O-N 3.4Å; V26-L29 CarbonylContact O-C 3.53Å; V26-L29 WeakPolarHBondContact O-CA 3.39Å; V26-L29 WeakPolarHBondContact O-CB 3.5Å; V26-L29 PolarHBondContact O-N 3.44Å; V26-A30 WeakPolarHBondContact O-CB 2.86Å; V26-A30 PolarHBondContact O-N 3.42Å; V26-W35 HydrophobicContact CG1-CH2 4.24Å; V26-W35 HydrophobicContact CG1-CZ3 3.69Å; V26-F52 HydrophobicContact CG1-CE1 4.34Å; V26-F52 HydrophobicContact CG1-CZ 4.03Å; V26-I56 HydrophobicContact CB-CD1 4.42Å; V26-I56 HydrophobicContact CB-CG1 4.34Å; V26-I56 HydrophobicContact CG1-CD1 3.47Å; V26-I56 VanDerWaalsContact CG1-CD1 3.47Å; V26-I56 HydrophobicContact CG1-CG1 3.89Å
27V87.9Confident84.5Confident48 Ų4875.7 Ų75.729%0.29139%0.387SS..Hα-helixtrans-53.4-46.9174.3170.70000110F23 L29 A30 E31 I56F23-V27 WeakPolarHBondContact O-CG2 3.36Å; F23-V27 PolarHBondContact O-N 3.21Å; V27-L29 VanDerWaalsContact C-N 3.27Å; V27-L29 PolarHBondContact O-N 3.39Å; V27-A30 PolarHBondContact O-N 2.91Å; V27-E31 HydrophobicContact CG1-CG 4.2Å; V27-E31 WeakPolarHBondContact O-CB 3.29Å; V27-E31 WeakPolarHBondContact O-CG 3.43Å; V27-E31 PolarHBondContact O-N 2.79Å; V27-I56 HydrophobicContact CB-CG2 4.34Å; V27-I56 HydrophobicContact CG2-CG2 3.3Å
28L87.6Confident84Confident117 Ų11773.1 Ų73.161%0.61337%0.37SS*.Hα-helixtrans-59.9-38.3178-64.1173.1000112.3C25 V26 R32C25-L28 PolarHBondContact O-N 3.47Å; V26-L28 VanDerWaalsContact C-N 3.26Å; V26-L28 PolarHBondContact O-N 3.4Å; L28-R32 VanDerWaalsContact O-CB 3.28Å; L28-R32 WeakPolarHBondContact O-CB 3.12Å; L28-R32 PolarHBondContact O-N 3.22Å
29L88.8Confident83.3Confident64 Ų6478.9 Ų78.934%0.33539%0.393SS..Hα-helixtrans-72-44.6176.9-171.964.7000111.6C25 V26 V27 R32 L33 W35C25-L29 PolarHBondContact O-N 3.02Å; V26-L29 CarbonylContact O-C 3.53Å; V26-L29 WeakPolarHBondContact O-CA 3.39Å; V26-L29 WeakPolarHBondContact O-CB 3.5Å; V26-L29 PolarHBondContact O-N 3.44Å; V27-L29 VanDerWaalsContact C-N 3.27Å; V27-L29 PolarHBondContact O-N 3.39Å; L29-R32 PolarHBondContact O-N 2.94Å; L29-L33 HydrophobicContact CD1-CD1 3.75Å; L29-L33 HydrophobicContact CD1-CG 4.17Å; L29-L33 HydrophobicContact CG-CD1 3.85Å; L29-L33 HydrophobicContact CG-CG 4.47Å; L29-L33 WeakPolarHBondContact O-CB 3.37Å; L29-L33 WeakPolarHBondContact O-CG 3Å; L29-L33 PolarHBondContact O-N 3.09Å; L29-W35 HydrophobicContact CD2-CH2 3.84Å; L29-W35 HydrophobicContact CD2-CZ2 4.01Å; L29-W35 HydrophobicContact CG-CH2 4.11Å; L29-W35 HydrophobicContact CG-CZ2 4.08Å
30A87.5Confident83Confident10 Ų1077.2 Ų77.28%0.08338%0.375CS..Hα-helixtrans-63-42.7-179.800000112V26 V27 R34 W35V26-A30 WeakPolarHBondContact O-CB 2.86Å; V26-A30 PolarHBondContact O-N 3.42Å; V27-A30 PolarHBondContact O-N 2.91Å; A30-R34 WeakPolarHBondContact O-CA 3.19Å; A30-R34 PolarHBondContact O-N 3.04Å; A30-W35 HydrophobicContact CB-CD2 3.93Å; A30-W35 HydrophobicContact CB-CE3 3.32Å; A30-W35 HydrophobicContact CB-CG 4.45Å; A30-W35 HydrophobicContact CB-CZ3 3.82Å; A30-W35 PolarHBondContact O-N 2.84Å; A30-W35 VanDerWaalsContact O-N 3.08Å
31E86.1Confident82.4Confident135 Ų13578.8 Ų78.863%0.63139%0.389SS*.Hα-helixtrans-63.6-45.1173.3-74.6-179.3172.500111.2V27 L33 R34V27-E31 HydrophobicContact CG1-CG 4.2Å; V27-E31 WeakPolarHBondContact O-CB 3.29Å; V27-E31 WeakPolarHBondContact O-CG 3.43Å; V27-E31 PolarHBondContact O-N 2.79Å; E31-L33 PolarHBondContact O-N 3.17Å; E31-R34 PolarHBondContact O-N 3.32Å
32R86.3Confident81.8Confident175 Ų17579.2 Ų79.266%0.6641%0.408SS*.Hα-helixtrans-68.4-37.3-176.9-174.364.6-173.796.7-5.3112.7L28 L29L28-R32 VanDerWaalsContact O-CB 3.28Å; L28-R32 WeakPolarHBondContact O-CB 3.12Å; L28-R32 PolarHBondContact O-N 3.22Å; L29-R32 PolarHBondContact O-N 2.94Å
33L86.7Confident81.1Confident14 Ų1483.7 Ų83.77%0.07343%0.426CS..Hα-helixtrans-89.1-7.4178.3-66179.2000113.2I4 R8 L11 L29 E31 W35I4-L33 HydrophobicContact CG2-CD2 3.66Å; R8-L33 HydrophobicContact CG-CB 4.41Å; R8-L33 PolarHBondContact NE-O 3.24Å; L11-L33 HydrophobicContact CB-CD1 4.03Å; L11-L33 HydrophobicContact CD1-CD1 3.83Å; L29-L33 HydrophobicContact CD1-CD1 3.75Å; L29-L33 HydrophobicContact CD1-CG 4.17Å; L29-L33 HydrophobicContact CG-CD1 3.85Å; L29-L33 HydrophobicContact CG-CG 4.47Å; L29-L33 WeakPolarHBondContact O-CB 3.37Å; L29-L33 WeakPolarHBondContact O-CG 3Å; L29-L33 PolarHBondContact O-N 3.09Å; E31-L33 PolarHBondContact O-N 3.17Å; L33-W35 HydrophobicContact CD1-CZ2 3.81Å
34R83.6Confident80.7Confident97 Ų9782.4 Ų82.437%0.36642%0.421SS..THydrogen-bonded Turntrans61.541.3176.5-65.2-170.6-79.3-179.91.8114.3A30 E31 L36 Q37 E38A30-R34 WeakPolarHBondContact O-CA 3.19Å; A30-R34 PolarHBondContact O-N 3.04Å; E31-R34 PolarHBondContact O-N 3.32Å; R34-L36 PolarHBondContact O-N 3.49Å; R34-L36 VanDerWaalsContact O-N 3.14Å; R34-Q37 HydrophobicContact CB-CB 4.22Å; R34-Q37 PolarHBondContact O-N 2.9Å; R34-E38 HydrophobicContact CB-CG 4.26Å; R34-E38 PolarHBondContact O-N 3.36Å
35W85.2Confident80.6Confident4 Ų481.1 Ų81.12%0.01542%0.418CS..THydrogen-bonded Turntrans-59.4-25.3-178.7-64.4-22.4000114.6R8 C12 A15 V26 L29 A30 L33 F52 L53 I56R8-W35 PolarHBondContact O-NE1 3.29Å; R8-W35 VanDerWaalsContact O-NE1 3.15Å; C12-W35 VanDerWaalsContact CA-CZ2 3.42Å; C12-W35 HydrophobicContact CB-CD2 4.14Å; C12-W35 HydrophobicContact CB-CH2 4.26Å; C12-W35 HydrophobicContact CB-CZ2 3.7Å; A15-W35 HydrophobicContact CB-CH2 3.89Å; V26-W35 HydrophobicContact CG1-CH2 4.24Å; V26-W35 HydrophobicContact CG1-CZ3 3.69Å; L29-W35 HydrophobicContact CD2-CH2 3.84Å; L29-W35 HydrophobicContact CD2-CZ2 4.01Å; L29-W35 HydrophobicContact CG-CH2 4.11Å; L29-W35 HydrophobicContact CG-CZ2 4.08Å; A30-W35 HydrophobicContact CB-CD2 3.93Å; A30-W35 HydrophobicContact CB-CE3 3.32Å; A30-W35 HydrophobicContact CB-CG 4.45Å; A30-W35 HydrophobicContact CB-CZ3 3.82Å; A30-W35 PolarHBondContact O-N 2.84Å; A30-W35 VanDerWaalsContact O-N 3.08Å; L33-W35 HydrophobicContact CD1-CZ2 3.81Å; W35-F52 HydrophobicContact CE3-CE1 4.49Å; W35-F52 AromaticContact CZ3-CE1 3.88Å; W35-F52 HydrophobicContact CZ3-CE1 3.88Å; W35-L53 HydrophobicContact CB-CD2 4.22Å; W35-L53 HydrophobicContact CE3-CD2 4.5Å; W35-I56 HydrophobicContact CZ3-CD1 4.45Å
36L77.4Confident80.3Confident142 Ų14283.9 Ų83.974%0.74342%0.423SS*.THydrogen-bonded Turntrans-86.7-14.7176.7-80158.2000114.4R34 L53R34-L36 PolarHBondContact O-N 3.49Å; R34-L36 VanDerWaalsContact O-N 3.14Å; L36-L53 HydrophobicContact CD2-CD1 3.85Å; L36-L53 HydrophobicContact CG-CD1 4.22Å; L36-L53 HydrophobicContact CG-CD2 4.26Å
37Q76.2Confident80Confident146 Ų14691.2 Ų91.268%0.68246%0.457SS*.THydrogen-bonded Turntrans-111.5-15.1-168.1-59.9170.31.400113.1R34R34-Q37 HydrophobicContact CB-CB 4.22Å; R34-Q37 PolarHBondContact O-N 2.9Å
38E73Confident79.7Confident78 Ų7894.1 Ų94.136%0.36447%0.468SS..SBendtrans-109.5138-178-67-74.3171.700109.6W9 R34 N40W9-E38 HydrophobicContact CZ2-CB 4.39Å; R34-E38 HydrophobicContact CB-CG 4.26Å; R34-E38 PolarHBondContact O-N 3.36Å; E38-N40 PolarHBondContact O-N 2.9Å
39E70.2Confident79.5Confident182 Ų18289.2 Ų89.285%0.8544%0.442SS*.  trans-65.7128.3177.7-76.1178.6173.500110.3W9 T41W9-E39 WeakPolarHBondContact CZ2-O 3.4Å; E39-T41 PolarHBondContact O-N 2.9Å
40N70.4Confident79.3Confident28 Ų2892.9 Ų92.915%0.1546%0.458CS..  trans-58.6120.7173.417910.2000109.3W9 E38 G42 E43 I44 L49W9-N40 HydrophobicContact CH2-CB 4.25Å; W9-N40 HydrophobicContact CZ2-CB 4.39Å; E38-N40 PolarHBondContact O-N 2.9Å; N40-G42 PolarHBondContact O-N 2.91Å; N40-G42 PolarHBondContact OD1-N 3.26Å; N40-E43 PolarHBondContact OD1-N 3.42Å; N40-I44 PolarHBondContact ND2-O 2.91Å; N40-L49 HydrophobicContact CB-CD2 4.1Å
41T69.8Low79.1Confident101 Ų10196.2 Ų96.262%0.6248%0.48SS*.  trans-78.517.3-175.850.90000113.2W9 E39W9-T41 VanDerWaalsContact CD1-OG1 3.31Å; W9-T41 PolarHBondContact NE1-OG1 2.82Å; E39-T41 PolarHBondContact O-N 2.9Å
42G69.2Low79.1Confident67 Ų6791 Ų9169%0.69146%0.455SS*.SBendtrans80.315.5-176.800000114.6N40N40-G42 PolarHBondContact O-N 2.91Å; N40-G42 PolarHBondContact OD1-N 3.26Å
43E70.9Confident79Confident117 Ų11784 Ų8455%0.54743%0.431SS..SBendtrans-79.5-28.9177.1-74.2-165.6-179.400113W9 N40W9-E43 HydrophobicContact CB-CB 4.14Å; W9-E43 WeakPolarHBondContact CB-OE2 3.37Å; N40-E43 PolarHBondContact OD1-N 3.42Å
44I79.2Confident78.9Confident13 Ų1391.3 Ų91.37%0.06746%0.459CS..SBendtrans-120.6145.6-179.5-54178.2000107.2W9 C12 M16 N40 E46 L49W9-I44 HydrophobicContact CE3-CD1 4.1Å; C12-I44 HydrophobicContact CB-CD1 3.74Å; M16-I44 HydrophobicContact CE-CG2 3.72Å; M16-I44 HydrophobicContact SD-CD1 4.03Å; M16-I44 HydrophobicContact SD-CG2 3.77Å; N40-I44 PolarHBondContact ND2-O 2.91Å; I44-E46 PolarHBondContact O-N 3.4Å; I44-L49 HydrophobicContact CG2-CB 4.12Å
45D81.6Confident78.8Confident86 Ų8688.2 Ų88.246%0.4645%0.454SS..  trans-61.6135.3171.1-176.1-86.9000110.3E47 E48 L49D45-E47 VanDerWaalsContact C-N 3.32Å; D45-E47 PolarHBondContact O-N 3.49Å; D45-E47 WeakPolarHBondContact OD1-CA 3.35Å; D45-E47 WeakPolarHBondContact OD1-CB 3.26Å; D45-E47 PolarHBondContact OD1-N 3.39Å; D45-E48 HydrophobicContact CB-CB 4.07Å; D45-E48 HydrophobicContact CB-CG 3.92Å; D45-E48 PolarHBondContact O-N 3.49Å; D45-E48 PolarHBondContact OD1-N 3.16Å; D45-L49 PolarHBondContact O-N 3.41Å
46E80.9Confident78.7Confident135 Ų13588.5 Ų88.563%0.63146%0.456SS*.Hα-helixtrans-63.4-37.9-176.5-75.9-176.3171.300111.9I44 L49 E50I44-E46 PolarHBondContact O-N 3.4Å; E46-L49 PolarHBondContact O-N 3.27Å; E46-E50 WeakPolarHBondContact O-CB 3.44Å; E46-E50 WeakPolarHBondContact O-CG 3.26Å; E46-E50 PolarHBondContact O-N 3.04Å
47E81.4Confident78.9Confident156 Ų15685.9 Ų85.973%0.72946%0.455SS*.Hα-helixtrans-68.6-41.1178.4-60.6-174.817200110.8D45 L49 E50 S51D45-E47 VanDerWaalsContact C-N 3.32Å; D45-E47 PolarHBondContact O-N 3.49Å; D45-E47 WeakPolarHBondContact OD1-CA 3.35Å; D45-E47 WeakPolarHBondContact OD1-CB 3.26Å; D45-E47 PolarHBondContact OD1-N 3.39Å; E47-L49 PolarHBondContact O-N 3.47Å; E47-E50 PolarHBondContact O-N 3.1Å; E47-S51 VanDerWaalsContact O-CB 3.29Å; E47-S51 WeakPolarHBondContact O-CB 3.49Å; E47-S51 PolarHBondContact O-N 3.42Å
48E81.5Confident79.2Confident110 Ų11085.1 Ų85.151%0.51445%0.449SS..Hα-helixtrans-62-42.8175.5-70.4-17217100112.1M16 D45 F52M16-E48 HydrophobicContact CE-CB 3.66Å; D45-E48 HydrophobicContact CB-CB 4.07Å; D45-E48 HydrophobicContact CB-CG 3.92Å; D45-E48 PolarHBondContact O-N 3.49Å; D45-E48 PolarHBondContact OD1-N 3.16Å; E48-F52 WeakPolarHBondContact O-CB 3.28Å; E48-F52 PolarHBondContact O-N 3.14Å
49L83.9Confident79.8Confident14 Ų1482.8 Ų82.87%0.07345%0.445CS..Hα-helixtrans-66.1-46.7178.5179.865.3000111.4W9 N40 I44 D45 E46 E47 S51 F52 L53W9-L49 HydrophobicContact CH2-CD2 4.33Å; W9-L49 HydrophobicContact CZ3-CD1 4.37Å; W9-L49 HydrophobicContact CZ3-CD2 3.88Å; N40-L49 HydrophobicContact CB-CD2 4.1Å; I44-L49 HydrophobicContact CG2-CB 4.12Å; D45-L49 PolarHBondContact O-N 3.41Å; E46-L49 PolarHBondContact O-N 3.27Å; E47-L49 PolarHBondContact O-N 3.47Å; L49-S51 PolarHBondContact O-N 2.9Å; L49-F52 PolarHBondContact O-N 3Å; L49-L53 HydrophobicContact CD1-CD1 4.15Å; L49-L53 HydrophobicContact CD1-CG 4.21Å; L49-L53 HydrophobicContact CG-CD1 3.96Å; L49-L53 HydrophobicContact CG-CG 4.41Å; L49-L53 WeakPolarHBondContact O-CB 3.45Å; L49-L53 VanDerWaalsContact O-CG 3.3Å; L49-L53 WeakPolarHBondContact O-CG 3.25Å; L49-L53 PolarHBondContact O-N 3.38Å
50E84.9Confident80.7Confident141 Ų14174.7 Ų74.766%0.65941%0.408SS*.Hα-helixtrans-60.1-45.7177.3-78.2-170.3171.400111.5E46 E47 F52 L53 Y54E46-E50 WeakPolarHBondContact O-CB 3.44Å; E46-E50 WeakPolarHBondContact O-CG 3.26Å; E46-E50 PolarHBondContact O-N 3.04Å; E47-E50 PolarHBondContact O-N 3.1Å; E50-F52 VanDerWaalsContact C-N 3.32Å; E50-F52 PolarHBondContact O-N 3.29Å; E50-L53 PolarHBondContact O-N 3.15Å; E50-Y54 WeakPolarHBondContact O-CB 3.38Å; E50-Y54 PolarHBondContact O-N 3.46Å
51S83.6Confident81.4Confident80 Ų8074.7 Ų74.756%0.55941%0.409SS*.Hα-helixtrans-59.1-42.9175.61750000111.8E47 L49 Y54 A55E47-S51 VanDerWaalsContact O-CB 3.29Å; E47-S51 WeakPolarHBondContact O-CB 3.49Å; E47-S51 PolarHBondContact O-N 3.42Å; L49-S51 PolarHBondContact O-N 2.9Å; S51-Y54 PolarHBondContact O-N 3.1Å; S51-A55 WeakPolarHBondContact O-CB 3.19Å; S51-A55 PolarHBondContact O-N 3.42Å
52F85.4Confident82.4Confident25 Ų2570.1 Ų70.111%0.1138%0.381CS..Hα-helixtrans-66.2-44.7177.9-177.8-122.7000112.6A15 M16 F23 V26 W35 E48 L49 E50 Y54 A55 I56A15-F52 HydrophobicContact CB-CE1 4.27Å; A15-F52 HydrophobicContact CB-CZ 3.92Å; M16-F52 HydrophobicContact CE-CB 4.33Å; M16-F52 HydrophobicContact CG-CB 4.01Å; M16-F52 HydrophobicContact CG-CD1 3.29Å; M16-F52 HydrophobicContact CG-CD2 3.85Å; M16-F52 HydrophobicContact CG-CE1 3.51Å; M16-F52 HydrophobicContact CG-CE2 4.06Å; M16-F52 HydrophobicContact CG-CG 3.46Å; M16-F52 VanDerWaalsContact CG-CG 3.46Å; M16-F52 HydrophobicContact CG-CZ 3.9Å; M16-F52 HydrophobicContact SD-CB 4.41Å; M16-F52 HydrophobicContact SD-CD1 4.09Å; M16-F52 HydrophobicContact SD-CG 4.37Å; F23-F52 HydrophobicContact CE1-CE2 4.45Å; V26-F52 HydrophobicContact CG1-CE1 4.34Å; V26-F52 HydrophobicContact CG1-CZ 4.03Å; W35-F52 HydrophobicContact CE3-CE1 4.49Å; W35-F52 AromaticContact CZ3-CE1 3.88Å; W35-F52 HydrophobicContact CZ3-CE1 3.88Å; E48-F52 WeakPolarHBondContact O-CB 3.28Å; E48-F52 PolarHBondContact O-N 3.14Å; L49-F52 PolarHBondContact O-N 3Å; E50-F52 VanDerWaalsContact C-N 3.32Å; E50-F52 PolarHBondContact O-N 3.29Å; F52-Y54 VanDerWaalsContact C-N 3.32Å; F52-Y54 PolarHBondContact O-N 2.81Å; F52-A55 WeakPolarHBondContact O-CB 3.49Å; F52-A55 PolarHBondContact O-N 3.43Å; F52-I56 HydrophobicContact CD1-CD1 3.65Å; F52-I56 HydrophobicContact CD2-CD1 4.34Å; F52-I56 HydrophobicContact CE1-CD1 3.45Å; F52-I56 VanDerWaalsContact CE1-CD1 3.45Å; F52-I56 HydrophobicContact CE1-CG1 4.43Å; F52-I56 HydrophobicContact CE2-CD1 4.15Å; F52-I56 HydrophobicContact CE2-CG1 4.29Å; F52-I56 HydrophobicContact CG-CD1 4.12Å; F52-I56 HydrophobicContact CZ-CD1 3.71Å; F52-I56 HydrophobicContact CZ-CG1 4.25Å; F52-I56 VanDerWaalsContact O-CG1 3.3Å; F52-I56 WeakPolarHBondContact O-CG1 3.38Å; F52-I56 PolarHBondContact O-N 3.36Å
53L84.7Confident83.3Confident28 Ų2869.4 Ų69.415%0.14736%0.361CS..Hα-helixtrans-63.6-38.8177.2-69.4173.7000111.7W35 L36 L49 E50 I56 A57W35-L53 HydrophobicContact CB-CD2 4.22Å; W35-L53 HydrophobicContact CE3-CD2 4.5Å; L36-L53 HydrophobicContact CD2-CD1 3.85Å; L36-L53 HydrophobicContact CG-CD1 4.22Å; L36-L53 HydrophobicContact CG-CD2 4.26Å; L49-L53 HydrophobicContact CD1-CD1 4.15Å; L49-L53 HydrophobicContact CD1-CG 4.21Å; L49-L53 HydrophobicContact CG-CD1 3.96Å; L49-L53 HydrophobicContact CG-CG 4.41Å; L49-L53 WeakPolarHBondContact O-CB 3.45Å; L49-L53 VanDerWaalsContact O-CG 3.3Å; L49-L53 WeakPolarHBondContact O-CG 3.25Å; L49-L53 PolarHBondContact O-N 3.38Å; E50-L53 PolarHBondContact O-N 3.15Å; L53-I56 HydrophobicContact CD2-CD1 4.37Å; L53-I56 PolarHBondContact O-N 3.08Å; L53-A57 PolarHBondContact O-N 2.87Å
54Y84Confident84.2Confident167 Ų16765 Ų6566%0.65534%0.34SS*.Hα-helixtrans-62.4-43.9172.4-177.8-95.7000112.1E50 S51 F52 I56 A57 K58E50-Y54 WeakPolarHBondContact O-CB 3.38Å; E50-Y54 PolarHBondContact O-N 3.46Å; S51-Y54 PolarHBondContact O-N 3.1Å; F52-Y54 VanDerWaalsContact C-N 3.32Å; F52-Y54 PolarHBondContact O-N 2.81Å; Y54-I56 PolarHBondContact O-N 3.43Å; Y54-A57 PolarHBondContact O-N 2.77Å; Y54-K58 PolarHBondContact O-N 3Å; Y54-K58 VanDerWaalsContact O-N 3.07Å
55A82.1Confident84.6Confident32 Ų3270.8 Ų70.826%0.26437%0.367SS..Hα-helixtrans-62.1-42.1176.900000112.3F23 S51 F52 A57 K58 G59F23-A55 HydrophobicContact CZ-CB 4.22Å; S51-A55 WeakPolarHBondContact O-CB 3.19Å; S51-A55 PolarHBondContact O-N 3.42Å; F52-A55 WeakPolarHBondContact O-CB 3.49Å; F52-A55 PolarHBondContact O-N 3.43Å; A55-A57 VanDerWaalsContact C-N 3.34Å; A55-A57 PolarHBondContact O-N 3.48Å; A55-K58 PolarHBondContact O-N 3.35Å; A55-G59 PolarHBondContact O-N 3.41Å
56I83.4Confident85.1Confident11 Ų1168 Ų686%0.05635%0.353CS..Hα-helixtrans-60.9-43.8175.3-66.7160.4000110.8F23 V26 V27 W35 F52 L53 Y54 K58 G59F23-I56 HydrophobicContact CD1-CG1 3.92Å; F23-I56 HydrophobicContact CE1-CG1 4.37Å; V26-I56 HydrophobicContact CB-CD1 4.42Å; V26-I56 HydrophobicContact CB-CG1 4.34Å; V26-I56 HydrophobicContact CG1-CD1 3.47Å; V26-I56 VanDerWaalsContact CG1-CD1 3.47Å; V26-I56 HydrophobicContact CG1-CG1 3.89Å; V27-I56 HydrophobicContact CB-CG2 4.34Å; V27-I56 HydrophobicContact CG2-CG2 3.3Å; W35-I56 HydrophobicContact CZ3-CD1 4.45Å; F52-I56 HydrophobicContact CD1-CD1 3.65Å; F52-I56 HydrophobicContact CD2-CD1 4.34Å; F52-I56 HydrophobicContact CE1-CD1 3.45Å; F52-I56 VanDerWaalsContact CE1-CD1 3.45Å; F52-I56 HydrophobicContact CE1-CG1 4.43Å; F52-I56 HydrophobicContact CE2-CD1 4.15Å; F52-I56 HydrophobicContact CE2-CG1 4.29Å; F52-I56 HydrophobicContact CG-CD1 4.12Å; F52-I56 HydrophobicContact CZ-CD1 3.71Å; F52-I56 HydrophobicContact CZ-CG1 4.25Å; F52-I56 VanDerWaalsContact O-CG1 3.3Å; F52-I56 WeakPolarHBondContact O-CG1 3.38Å; F52-I56 PolarHBondContact O-N 3.36Å; L53-I56 HydrophobicContact CD2-CD1 4.37Å; L53-I56 PolarHBondContact O-N 3.08Å; Y54-I56 PolarHBondContact O-N 3.43Å; I56-K58 VanDerWaalsContact C-N 3.31Å; I56-K58 PolarHBondContact O-N 3.18Å; I56-G59 PolarHBondContact O-N 3.01Å; I56-G59 VanDerWaalsContact O-N 3.14Å
57A81.7Confident85.5Confident87 Ų8761.7 Ų61.772%0.71932%0.323SS*.Hα-helixtrans-64.7-32.8179.500000113.1L53 Y54 A55 G59L53-A57 PolarHBondContact O-N 2.87Å; Y54-A57 PolarHBondContact O-N 2.77Å; A55-A57 VanDerWaalsContact C-N 3.34Å; A55-A57 PolarHBondContact O-N 3.48Å; A57-G59 PolarHBondContact O-N 3.38Å
58K82.7Confident85.9Confident130 Ų13059.5 Ų59.557%0.56532%0.316SS*.Hα-helixtrans-67-24.3175.3-167.5176179179.50112.7Y54 A55 I56Y54-K58 PolarHBondContact O-N 3Å; Y54-K58 VanDerWaalsContact O-N 3.07Å; A55-K58 PolarHBondContact O-N 3.35Å; I56-K58 VanDerWaalsContact C-N 3.31Å; I56-K58 PolarHBondContact O-N 3.18Å
59G85.3Confident86.3Confident28 Ų2861.4 Ų61.429%0.28933%0.325SS..  trans76.6175.318000000113.9A55 I56 A57A55-G59 PolarHBondContact O-N 3.41Å; I56-G59 PolarHBondContact O-N 3.01Å; I56-G59 VanDerWaalsContact O-N 3.14Å; A57-G59 PolarHBondContact O-N 3.38Å
60N87.4Confident86.6Confident13 Ų1362.3 Ų62.37%0.0733%0.33CS..  trans-65.6151.3-179.4-62.9-47.6000111.8S22 F23 F62 F64S22-N60 PolarHBondContact OG-ND2 3.48Å; F23-N60 PolarHBondContact N-OD1 3.33Å; N60-F62 VanDerWaalsContact C-N 3.27Å; N60-F62 WeakPolarHBondContact CB-O 3.26Å; N60-F62 PolarHBondContact O-N 2.79Å; N60-F64 HydrophobicContact CB-CE1 4.3Å; N60-F64 HydrophobicContact CB-CZ 4.35Å
61V86.5Confident86.9Confident27 Ų2759.7 Ų59.716%0.16433%0.325CS..SBendtrans-62.6-36.2176.5-176.20000111.5Q83 A86 L114 W121V61-Q83 HydrophobicContact CG2-CG 4.17Å; V61-A86 HydrophobicContact CG1-CB 4.18Å; V61-A86 HydrophobicContact CG2-CB 3.84Å; V61-L114 HydrophobicContact CG1-CD1 4.22Å; V61-W121 HydrophobicContact CG1-CH2 3.97Å
62F90.7Very high87.1Confident6 Ų660.6 Ų60.63%0.02633%0.326CS..SBendtrans-150165.8175.367.2-86.6000110.3N60 F64 I67 T78 I79 Y82 P109 D111 L114N60-F62 VanDerWaalsContact C-N 3.27Å; N60-F62 WeakPolarHBondContact CB-O 3.26Å; N60-F62 PolarHBondContact O-N 2.79Å; F62-F64 HydrophobicContact CD1-CD1 4.43Å; F62-F64 HydrophobicContact CD1-CE1 4.19Å; F62-F64 HydrophobicContact CD2-CD1 4.05Å; F62-F64 HydrophobicContact CE1-CD1 4.1Å; F62-F64 AromaticContact CE1-CE1 3.83Å; F62-F64 HydrophobicContact CE1-CE1 3.83Å; F62-F64 AromaticContact CE2-CD1 3.68Å; F62-F64 HydrophobicContact CE2-CD1 3.68Å; F62-F64 HydrophobicContact CE2-CE1 4.27Å; F62-F64 HydrophobicContact CG-CD1 4.4Å; F62-F64 AromaticContact CZ-CD1 3.7Å; F62-F64 HydrophobicContact CZ-CD1 3.7Å; F62-F64 AromaticContact CZ-CE1 3.87Å; F62-F64 HydrophobicContact CZ-CE1 3.87Å; F62-F64 WeakPolarHBondContact O-CD1 3.49Å; F62-F64 PolarHBondContact O-N 2.73Å; F62-I67 HydrophobicContact CE2-CD1 3.85Å; F62-I67 HydrophobicContact CE2-CG1 4.06Å; F62-I67 HydrophobicContact CE2-CG2 4.05Å; F62-I67 HydrophobicContact CZ-CD1 3.82Å; F62-T78 HydrophobicContact CZ-CG2 4.2Å; F62-I79 HydrophobicContact CZ-CG1 4.06Å; F62-Y82 HydrophobicContact CD1-CD2 4.13Å; F62-Y82 HydrophobicContact CD1-CG 4.34Å; F62-Y82 AromaticContact CE1-CD2 3.75Å; F62-Y82 HydrophobicContact CE1-CD2 3.75Å; F62-Y82 HydrophobicContact CE1-CG 4.24Å; F62-Y82 HydrophobicContact CZ-CD2 4.43Å; F62-P109 HydrophobicContact CD1-CG 4.36Å; F62-P109 HydrophobicContact CD2-CB 3.51Å; F62-P109 HydrophobicContact CD2-CG 3.54Å; F62-P109 HydrophobicContact CE1-CG 4.28Å; F62-P109 HydrophobicContact CE2-CB 3.73Å; F62-P109 HydrophobicContact CE2-CG 3.43Å; F62-P109 VanDerWaalsContact CE2-CG 3.43Å; F62-P109 HydrophobicContact CG-CB 4.23Å; F62-P109 HydrophobicContact CG-CG 4.04Å; F62-P109 HydrophobicContact CZ-CG 3.83Å; F62-D111 HydrophobicContact CB-CB 4.23Å; F62-L114 HydrophobicContact CB-CB 3.82Å; F62-L114 HydrophobicContact CB-CD1 4.31Å; F62-L114 HydrophobicContact CB-CD2 3.74Å; F62-L114 HydrophobicContact CB-CG 4.16Å; F62-L114 HydrophobicContact CD1-CD2 4.21Å; F62-L114 HydrophobicContact CG-CD2 3.96Å
63N87.7Confident87.2Confident51 Ų5162.5 Ų62.527%0.27335%0.347SS..  trans-70109.5175.1-178.9-0.6000111.7Q65 T66 D111N63-Q65 PolarHBondContact O-N 2.83Å; N63-Q65 VanDerWaalsContact O-N 3.08Å; N63-Q65 WeakPolarHBondContact OD1-CB 3.3Å; N63-Q65 VanDerWaalsContact OD1-CG 3.29Å; N63-Q65 WeakPolarHBondContact OD1-CG 3.4Å; N63-Q65 PolarHBondContact OD1-N 3.3Å; N63-T66 HydrophobicContact CB-CG2 4.21Å; N63-T66 WeakPolarHBondContact O-CB 3.42Å; N63-T66 WeakPolarHBondContact O-CG2 3.34Å; N63-T66 PolarHBondContact O-N 3.45Å; N63-T66 VanDerWaalsContact O-N 3.14Å; N63-T66 PolarHBondContact O-OG1 2.89Å; N63-D111 VanDerWaalsContact CB-OD1 3.23Å; N63-D111 WeakPolarHBondContact CB-OD1 3.09Å; N63-D111 PolarHBondContact N-OD1 2.82Å
64F89.3Confident87.3Confident25 Ų2563.4 Ų63.411%0.1135%0.354CS..G310 helixtrans-62.9-16.1179.4-63.9-9.7000114.2N60 F62 T66 I67 I79N60-F64 HydrophobicContact CB-CE1 4.3Å; N60-F64 HydrophobicContact CB-CZ 4.35Å; F62-F64 HydrophobicContact CD1-CD1 4.43Å; F62-F64 HydrophobicContact CD1-CE1 4.19Å; F62-F64 HydrophobicContact CD2-CD1 4.05Å; F62-F64 HydrophobicContact CE1-CD1 4.1Å; F62-F64 AromaticContact CE1-CE1 3.83Å; F62-F64 HydrophobicContact CE1-CE1 3.83Å; F62-F64 AromaticContact CE2-CD1 3.68Å; F62-F64 HydrophobicContact CE2-CD1 3.68Å; F62-F64 HydrophobicContact CE2-CE1 4.27Å; F62-F64 HydrophobicContact CG-CD1 4.4Å; F62-F64 AromaticContact CZ-CD1 3.7Å; F62-F64 HydrophobicContact CZ-CD1 3.7Å; F62-F64 AromaticContact CZ-CE1 3.87Å; F62-F64 HydrophobicContact CZ-CE1 3.87Å; F62-F64 WeakPolarHBondContact O-CD1 3.49Å; F62-F64 PolarHBondContact O-N 2.73Å; F64-T66 PolarHBondContact O-N 3.39Å; F64-I67 WeakPolarHBondContact O-CG1 3.45Å; F64-I67 PolarHBondContact O-N 3.49Å; F64-I79 HydrophobicContact CD1-CD1 4.38Å; F64-I79 HydrophobicContact CD1-CG1 4.14Å; F64-I79 HydrophobicContact CD2-CD1 4.07Å; F64-I79 HydrophobicContact CE1-CD1 4.32Å; F64-I79 HydrophobicContact CE1-CG1 3.85Å; F64-I79 HydrophobicContact CE1-CG2 4.28Å; F64-I79 HydrophobicContact CE2-CD1 4Å; F64-I79 HydrophobicContact CE2-CG1 4.36Å; F64-I79 HydrophobicContact CE2-CG2 4.41Å; F64-I79 HydrophobicContact CG-CD1 4.27Å; F64-I79 HydrophobicContact CZ-CD1 4.13Å; F64-I79 HydrophobicContact CZ-CG1 3.97Å; F64-I79 HydrophobicContact CZ-CG2 3.79Å
65Q89.1Confident87.5Confident134 Ų13457 Ų5763%0.62633%0.33SS*.G310 helixtrans-61.3-27.7174.8-64.1-179.40.700112.7N63 I67 L68N63-Q65 PolarHBondContact O-N 2.83Å; N63-Q65 VanDerWaalsContact O-N 3.08Å; N63-Q65 WeakPolarHBondContact OD1-CB 3.3Å; N63-Q65 VanDerWaalsContact OD1-CG 3.29Å; N63-Q65 WeakPolarHBondContact OD1-CG 3.4Å; N63-Q65 PolarHBondContact OD1-N 3.3Å; Q65-I67 PolarHBondContact O-N 2.89Å; Q65-L68 HydrophobicContact CB-CD1 4.21Å; Q65-L68 HydrophobicContact CG-CD1 4.28Å; Q65-L68 PolarHBondContact O-N 2.99Å
66T90.2Very high87.8Confident28 Ų2857.6 Ų57.617%0.17233%0.329CS..G310 helixtrans-65.1-25.3-17958.80000112.9N63 F64 H69 P109 D110 D111N63-T66 HydrophobicContact CB-CG2 4.21Å; N63-T66 WeakPolarHBondContact O-CB 3.42Å; N63-T66 WeakPolarHBondContact O-CG2 3.34Å; N63-T66 PolarHBondContact O-N 3.45Å; N63-T66 VanDerWaalsContact O-N 3.14Å; N63-T66 PolarHBondContact O-OG1 2.89Å; F64-T66 PolarHBondContact O-N 3.39Å; T66-H69 PolarHBondContact O-CE1 3.12Å; T66-H69 PolarHBondContact O-ND1 3.17Å; T66-P109 VanDerWaalsContact OG1-CB 3.3Å; T66-P109 WeakPolarHBondContact OG1-CB 3.47Å; T66-D110 VanDerWaalsContact CG2-O 3.24Å; T66-D110 WeakPolarHBondContact CG2-O 3.34Å; T66-D111 HydrophobicContact CG2-CB 4.4Å
67I90.8Very high88Confident2 Ų262.4 Ų62.41%0.0135%0.354CS..G310 helixtrans-105.30.4-177.157.4166.7000113.9F62 F64 Q65 H69 L70 Q75 T78 I79 P109F62-I67 HydrophobicContact CE2-CD1 3.85Å; F62-I67 HydrophobicContact CE2-CG1 4.06Å; F62-I67 HydrophobicContact CE2-CG2 4.05Å; F62-I67 HydrophobicContact CZ-CD1 3.82Å; F64-I67 WeakPolarHBondContact O-CG1 3.45Å; F64-I67 PolarHBondContact O-N 3.49Å; Q65-I67 PolarHBondContact O-N 2.89Å; I67-H69 PolarHBondContact O-N 3.38Å; I67-L70 HydrophobicContact CB-CD1 3.92Å; I67-L70 HydrophobicContact CG2-CD1 4Å; I67-L70 VanDerWaalsContact O-CB 3.29Å; I67-L70 WeakPolarHBondContact O-CB 3.37Å; I67-L70 PolarHBondContact O-N 2.8Å; I67-Q75 HydrophobicContact CB-CG 4.46Å; I67-Q75 HydrophobicContact CD1-CB 3.99Å; I67-Q75 HydrophobicContact CD1-CG 4.25Å; I67-Q75 HydrophobicContact CG1-CG 4.38Å; I67-Q75 WeakPolarHBondContact O-CG 3.3Å; I67-T78 HydrophobicContact CG2-CG2 4.42Å; I67-I79 HydrophobicContact CD1-CD1 4.1Å; I67-I79 HydrophobicContact CD1-CG1 3.88Å; I67-P109 HydrophobicContact CG2-CB 3.99Å; I67-P109 HydrophobicContact CG2-CG 3.94Å
68L89.5Confident88.3Confident110 Ų11058.7 Ų58.758%0.57632%0.323SS*.THydrogen-bonded Turntrans-60.9-21.6-175.9-71.2176.2000114.4Q65 L70 Q75Q65-L68 HydrophobicContact CB-CD1 4.21Å; Q65-L68 HydrophobicContact CG-CD1 4.28Å; Q65-L68 PolarHBondContact O-N 2.99Å; L68-L70 PolarHBondContact O-N 3.13Å; L68-Q75 PolarHBondContact O-NE2 3.29Å
69H89.8Confident88.6Confident151 Ų15152.9 Ų52.970%0.69930%0.298SS*.THydrogen-bonded Turntrans-75.4-10.7177.266.3-84.8000113.1T66 I67T66-H69 PolarHBondContact O-CE1 3.12Å; T66-H69 PolarHBondContact O-ND1 3.17Å; I67-H69 PolarHBondContact O-N 3.38Å
70L91Very high88.6Confident33 Ų3354.7 Ų54.717%0.17330%0.301CS..SBendtrans-90.6160.3-178.7-58.2171.1000111.7I67 L68 V74 Q75 I107I67-L70 HydrophobicContact CB-CD1 3.92Å; I67-L70 HydrophobicContact CG2-CD1 4Å; I67-L70 VanDerWaalsContact O-CB 3.29Å; I67-L70 WeakPolarHBondContact O-CB 3.37Å; I67-L70 PolarHBondContact O-N 2.8Å; L68-L70 PolarHBondContact O-N 3.13Å; L70-V74 HydrophobicContact CB-CB 4.42Å; L70-V74 HydrophobicContact CB-CG1 4.29Å; L70-V74 HydrophobicContact CD1-CG1 4.17Å; L70-Q75 HydrophobicContact CB-CG 4.11Å; L70-Q75 PolarHBondContact O-NE2 2.82Å; L70-I107 HydrophobicContact CD1-CD1 3.66Å; L70-I107 HydrophobicContact CD1-CG2 3.95Å; L70-I107 HydrophobicContact CD2-CD1 4.13Å
71P90.9Very high88.5Confident86 Ų8655 Ų5556%0.55830%0.302SS*.  trans-60.5145.6171-21.933.7000112.3A73 V74 Q75P71-A73 VanDerWaalsContact C-N 3.28Å; P71-A73 PolarHBondContact O-N 2.71Å; P71-A73 VanDerWaalsContact O-N 3.17Å; P71-V74 HydrophobicContact CB-CG2 4.21Å; P71-V74 HydrophobicContact CG-CG2 4.25Å; P71-V74 WeakPolarHBondContact O-CA 2.87Å; P71-V74 WeakPolarHBondContact O-CB 3.47Å; P71-V74 PolarHBondContact O-N 3.41Å; P71-Q75 PolarHBondContact O-N 3.29Å
72V87.9Confident88.6Confident98 Ų9853.9 Ų53.959%0.59429%0.294SS*.Hα-helixtrans-53.6-40.2-177176.90000113.3V74 Q75 N76V72-V74 VanDerWaalsContact C-N 3.3Å; V72-V74 PolarHBondContact O-N 3.3Å; V72-Q75 WeakPolarHBondContact O-CB 3.34Å; V72-Q75 PolarHBondContact O-N 3.42Å; V72-N76 VanDerWaalsContact O-CG 3.3Å; V72-N76 PolarHBondContact O-N 3.01Å; V72-N76 PolarHBondContact O-OD1 3.04Å
73A86.1Confident88.4Confident66 Ų6656 Ų5655%0.54531%0.305SS..Hα-helixtrans-60.1-41.9177.300000112P71 N76 D77P71-A73 VanDerWaalsContact C-N 3.28Å; P71-A73 PolarHBondContact O-N 2.71Å; P71-A73 VanDerWaalsContact O-N 3.17Å; A73-N76 PolarHBondContact O-N 3.46Å; A73-D77 WeakPolarHBondContact O-CB 3.49Å; A73-D77 VanDerWaalsContact O-CG 3.28Å; A73-D77 PolarHBondContact O-N 3.26Å
74V87.2Confident88.2Confident47 Ų4757.8 Ų57.829%0.28531%0.312SS..Hα-helixtrans-69.9-38178.1179.90000110.9L70 P71 V72 T78 I107L70-V74 HydrophobicContact CB-CB 4.42Å; L70-V74 HydrophobicContact CB-CG1 4.29Å; L70-V74 HydrophobicContact CD1-CG1 4.17Å; P71-V74 HydrophobicContact CB-CG2 4.21Å; P71-V74 HydrophobicContact CG-CG2 4.25Å; P71-V74 WeakPolarHBondContact O-CA 2.87Å; P71-V74 WeakPolarHBondContact O-CB 3.47Å; P71-V74 PolarHBondContact O-N 3.41Å; V72-V74 VanDerWaalsContact C-N 3.3Å; V72-V74 PolarHBondContact O-N 3.3Å; V74-T78 WeakPolarHBondContact O-CB 3.38Å; V74-T78 PolarHBondContact O-N 3.48Å; V74-T78 PolarHBondContact O-OG1 3.01Å; V74-I107 HydrophobicContact CG1-CD1 3.24Å; V74-I107 HydrophobicContact CG1-CG1 4.48Å
75Q88.8Confident88Confident32 Ų3256.6 Ų56.615%0.1531%0.307CS..Hα-helixtrans-59.4-50.3174.6-65.8-178.828.900111I67 L68 L70 P71 V72 T78 I79I67-Q75 HydrophobicContact CB-CG 4.46Å; I67-Q75 HydrophobicContact CD1-CB 3.99Å; I67-Q75 HydrophobicContact CD1-CG 4.25Å; I67-Q75 HydrophobicContact CG1-CG 4.38Å; I67-Q75 WeakPolarHBondContact O-CG 3.3Å; L68-Q75 PolarHBondContact O-NE2 3.29Å; L70-Q75 HydrophobicContact CB-CG 4.11Å; L70-Q75 PolarHBondContact O-NE2 2.82Å; P71-Q75 PolarHBondContact O-N 3.29Å; V72-Q75 WeakPolarHBondContact O-CB 3.34Å; V72-Q75 PolarHBondContact O-N 3.42Å; Q75-T78 PolarHBondContact O-N 2.87Å; Q75-I79 VanDerWaalsContact O-CG1 3.3Å; Q75-I79 WeakPolarHBondContact O-CG1 3.46Å; Q75-I79 PolarHBondContact O-N 3.18Å
76N88.3Confident87.7Confident45 Ų4551 Ų5124%0.24128%0.284CS..Hα-helixtrans-62.1-47.6-179.5-67.61000111.5H20 V72 A73 T78 I79 D80H20-N76 VanDerWaalsContact CD2-CG 3.45Å; H20-N76 PolarHBondContact CD2-ND2 3.49Å; V72-N76 VanDerWaalsContact O-CG 3.3Å; V72-N76 PolarHBondContact O-N 3.01Å; V72-N76 PolarHBondContact O-OD1 3.04Å; A73-N76 PolarHBondContact O-N 3.46Å; N76-T78 VanDerWaalsContact C-N 3.26Å; N76-T78 PolarHBondContact O-N 3.32Å; N76-I79 PolarHBondContact O-N 3.5Å; N76-D80 PolarHBondContact O-N 2.95Å
77D86.3Confident87.4Confident111 Ų11156.7 Ų56.759%0.59430%0.302SS*.Hα-helixtrans-59.5-37.5177.2-72-13.6000111.9A73 F81A73-D77 WeakPolarHBondContact O-CB 3.49Å; A73-D77 VanDerWaalsContact O-CG 3.28Å; A73-D77 PolarHBondContact O-N 3.26Å; D77-F81 VanDerWaalsContact O-CB 3.31Å; D77-F81 WeakPolarHBondContact O-CB 3.49Å; D77-F81 PolarHBondContact O-N 3.32Å
78T88.4Confident87Confident9 Ų957.2 Ų57.26%0.05531%0.305CS..Hα-helixtrans-68.5-42.8177.4-55.40000111.3F62 I67 V74 Q75 N76 F81 Y82 P109F62-T78 HydrophobicContact CZ-CG2 4.2Å; I67-T78 HydrophobicContact CG2-CG2 4.42Å; V74-T78 WeakPolarHBondContact O-CB 3.38Å; V74-T78 PolarHBondContact O-N 3.48Å; V74-T78 PolarHBondContact O-OG1 3.01Å; Q75-T78 PolarHBondContact O-N 2.87Å; N76-T78 VanDerWaalsContact C-N 3.26Å; N76-T78 PolarHBondContact O-N 3.32Å; T78-F81 PolarHBondContact O-N 2.89Å; T78-Y82 HydrophobicContact CG2-CD2 3.86Å; T78-Y82 HydrophobicContact CG2-CE2 3.72Å; T78-Y82 VanDerWaalsContact O-CD2 3.23Å; T78-Y82 WeakPolarHBondContact O-CD2 3.36Å; T78-Y82 PolarHBondContact O-N 3.43Å; T78-P109 HydrophobicContact CG2-CG 4.08Å
79I88.6Confident86.5Confident8 Ų856.7 Ų56.74%0.04130%0.295CS..Hα-helixtrans-62.5-50.7177.3-69.4166.6000110.1F62 F64 I67 Q75 N76 F81 Y82 Q83F62-I79 HydrophobicContact CZ-CG1 4.06Å; F64-I79 HydrophobicContact CD1-CD1 4.38Å; F64-I79 HydrophobicContact CD1-CG1 4.14Å; F64-I79 HydrophobicContact CD2-CD1 4.07Å; F64-I79 HydrophobicContact CE1-CD1 4.32Å; F64-I79 HydrophobicContact CE1-CG1 3.85Å; F64-I79 HydrophobicContact CE1-CG2 4.28Å; F64-I79 HydrophobicContact CE2-CD1 4Å; F64-I79 HydrophobicContact CE2-CG1 4.36Å; F64-I79 HydrophobicContact CE2-CG2 4.41Å; F64-I79 HydrophobicContact CG-CD1 4.27Å; F64-I79 HydrophobicContact CZ-CD1 4.13Å; F64-I79 HydrophobicContact CZ-CG1 3.97Å; F64-I79 HydrophobicContact CZ-CG2 3.79Å; I67-I79 HydrophobicContact CD1-CD1 4.1Å; I67-I79 HydrophobicContact CD1-CG1 3.88Å; Q75-I79 VanDerWaalsContact O-CG1 3.3Å; Q75-I79 WeakPolarHBondContact O-CG1 3.46Å; Q75-I79 PolarHBondContact O-N 3.18Å; N76-I79 PolarHBondContact O-N 3.5Å; I79-F81 VanDerWaalsContact C-N 3.27Å; I79-F81 PolarHBondContact O-N 3.12Å; I79-Y82 PolarHBondContact O-N 3.27Å; I79-Q83 HydrophobicContact CG2-CG 4.13Å; I79-Q83 WeakPolarHBondContact O-CB 3.12Å; I79-Q83 WeakPolarHBondContact O-CG 3.48Å; I79-Q83 PolarHBondContact O-N 2.86Å
80D85.8Confident86Confident66 Ų6652.9 Ų52.935%0.35329%0.285SS..Hα-helixtrans-59.1-41.9-179.5-72.4-6.6000111.1H20 N76 M84H20-D80 IonicContact CE1-OD1 2.75Å; H20-D80 PolarHBondContact CE1-OD1 3.39Å; H20-D80 IonicContact CE1-OD2 3.38Å; H20-D80 PolarHBondContact CE1-OD2 3.47Å; H20-D80 IonicContact ND1-OD1 3.55Å; H20-D80 PolarHBondContact ND1-OD1 2.86Å; H20-D80 VanDerWaalsContact ND1-OD1 3.08Å; N76-D80 PolarHBondContact O-N 2.95Å; D80-M84 WeakPolarHBondContact O-CB 3.43Å; D80-M84 PolarHBondContact O-N 3.28Å
81F86.8Confident85.5Confident20 Ų2054.1 Ų54.19%0.08830%0.297CS..Hα-helixtrans-58.8-52.3178.2179.2-97.7000112D77 T78 I79 F85 Y99 V106D77-F81 VanDerWaalsContact O-CB 3.31Å; D77-F81 WeakPolarHBondContact O-CB 3.49Å; D77-F81 PolarHBondContact O-N 3.32Å; T78-F81 PolarHBondContact O-N 2.89Å; I79-F81 VanDerWaalsContact C-N 3.27Å; I79-F81 PolarHBondContact O-N 3.12Å; F81-F85 VanDerWaalsContact O-CB 3.23Å; F81-F85 WeakPolarHBondContact O-CB 3.05Å; F81-F85 PolarHBondContact O-N 3.28Å; F81-Y99 AromaticContact CD2-CE1 3.94Å; F81-Y99 HydrophobicContact CD2-CE1 3.94Å; F81-Y99 AromaticContact CD2-CZ 3.99Å; F81-Y99 WeakPolarHBondContact CD2-OH 3.35Å; F81-Y99 HydrophobicContact CE2-CD1 4.38Å; F81-Y99 AromaticContact CE2-CE1 3.5Å; F81-Y99 HydrophobicContact CE2-CE1 3.5Å; F81-Y99 VanDerWaalsContact CE2-CE1 3.5Å; F81-Y99 AromaticContact CE2-CZ 3.95Å; F81-Y99 HydrophobicContact CZ-CE1 4.03Å; F81-Y99 PolarHBondContact O-OH 2.83Å; F81-V106 HydrophobicContact CD1-CG1 3.64Å; F81-V106 HydrophobicContact CD1-CG2 4.16Å; F81-V106 HydrophobicContact CD2-CG2 4.31Å; F81-V106 HydrophobicContact CE1-CB 4.32Å; F81-V106 HydrophobicContact CE1-CG1 3.58Å; F81-V106 HydrophobicContact CE1-CG2 3.78Å; F81-V106 HydrophobicContact CE2-CG2 3.93Å; F81-V106 HydrophobicContact CG-CG1 4.43Å; F81-V106 HydrophobicContact CG-CG2 4.41Å; F81-V106 HydrophobicContact CZ-CG1 4.32Å; F81-V106 HydrophobicContact CZ-CG2 3.65Å
82Y88.1Confident84.9Confident3 Ų354.1 Ų54.11%0.01229%0.289CS..Hα-helixtrans-75.4-29.6-177.2-72.9-63.6000113.7F62 T78 I79 F85 A86 V106 I107 P109 L114 L118F62-Y82 HydrophobicContact CD1-CD2 4.13Å; F62-Y82 HydrophobicContact CD1-CG 4.34Å; F62-Y82 AromaticContact CE1-CD2 3.75Å; F62-Y82 HydrophobicContact CE1-CD2 3.75Å; F62-Y82 HydrophobicContact CE1-CG 4.24Å; F62-Y82 HydrophobicContact CZ-CD2 4.43Å; T78-Y82 HydrophobicContact CG2-CD2 3.86Å; T78-Y82 HydrophobicContact CG2-CE2 3.72Å; T78-Y82 VanDerWaalsContact O-CD2 3.23Å; T78-Y82 WeakPolarHBondContact O-CD2 3.36Å; T78-Y82 PolarHBondContact O-N 3.43Å; I79-Y82 PolarHBondContact O-N 3.27Å; Y82-F85 PolarHBondContact O-N 2.61Å; Y82-A86 WeakPolarHBondContact O-CB 3.26Å; Y82-A86 PolarHBondContact O-N 3.37Å; Y82-V106 HydrophobicContact CE2-CG1 4.17Å; Y82-V106 WeakPolarHBondContact OH-CG1 3.45Å; Y82-I107 PolarHBondContact OH-O 3Å; Y82-P109 HydrophobicContact CD2-CG 4.34Å; Y82-P109 VanDerWaalsContact CE2-CD 3.42Å; Y82-P109 HydrophobicContact CE2-CG 3.86Å; Y82-L114 HydrophobicContact CD1-CD1 3.91Å; Y82-L114 HydrophobicContact CD1-CD2 4.49Å; Y82-L114 HydrophobicContact CD2-CD2 4.4Å; Y82-L114 HydrophobicContact CE1-CD1 4.13Å; Y82-L114 HydrophobicContact CE1-CD2 4.23Å; Y82-L114 HydrophobicContact CE2-CD2 4.14Å; Y82-L114 HydrophobicContact CG-CD1 4.35Å; Y82-L118 HydrophobicContact CD1-CD2 4.31Å; Y82-L118 HydrophobicContact CE1-CD1 4Å; Y82-L118 HydrophobicContact CE1-CD2 3.63Å; Y82-L118 HydrophobicContact CE1-CG 4.27Å
83Q86Confident84.3Confident52 Ų5252.6 Ų52.624%0.24328%0.281CS..Hα-helixtrans-67.8-47.3172.4-76.5-178.1-14.900111.4V61 I79 F85 A86 R87V61-Q83 HydrophobicContact CG2-CG 4.17Å; I79-Q83 HydrophobicContact CG2-CG 4.13Å; I79-Q83 WeakPolarHBondContact O-CB 3.12Å; I79-Q83 WeakPolarHBondContact O-CG 3.48Å; I79-Q83 PolarHBondContact O-N 2.86Å; Q83-F85 PolarHBondContact O-N 2.64Å; Q83-A86 PolarHBondContact O-N 3.35Å; Q83-R87 WeakPolarHBondContact O-CB 3.21Å; Q83-R87 PolarHBondContact O-N 3.38Å
84M84Confident83.7Confident87 Ų8755 Ų5543%0.42928%0.281SS..Hα-helixtrans-58.1-42.9172.9-176.859.570.500110.1D80 R87 I88 Y99D80-M84 WeakPolarHBondContact O-CB 3.43Å; D80-M84 PolarHBondContact O-N 3.28Å; M84-R87 PolarHBondContact O-N 2.9Å; M84-I88 HydrophobicContact CG-CD1 3.92Å; M84-I88 HydrophobicContact CG-CG1 4.44Å; M84-I88 VanDerWaalsContact O-CG1 3.31Å; M84-I88 WeakPolarHBondContact O-CG1 3.38Å; M84-I88 PolarHBondContact O-N 2.56Å; M84-I88 HydrophobicContact SD-CD1 4.33Å; M84-I88 HydrophobicContact SD-CG1 4.36Å; M84-Y99 HydrophobicContact CG-CE2 3.84Å
85F84.4Confident83.3Confident0 Ų059.2 Ų59.20%029%0.292CS..Hα-helixtrans-62.8-46.7178.9-164.2-119.2000113.2F81 Y82 Q83 R87 I88 W89 L96 Y99 L100 L118 W121F81-F85 VanDerWaalsContact O-CB 3.23Å; F81-F85 WeakPolarHBondContact O-CB 3.05Å; F81-F85 PolarHBondContact O-N 3.28Å; Y82-F85 PolarHBondContact O-N 2.61Å; Q83-F85 PolarHBondContact O-N 2.64Å; F85-R87 VanDerWaalsContact C-N 3.26Å; F85-R87 PolarHBondContact O-N 2.94Å; F85-I88 PolarHBondContact O-N 2.88Å; F85-W89 WeakPolarHBondContact O-CB 3.47Å; F85-W89 PolarHBondContact O-N 3.22Å; F85-L96 HydrophobicContact CD2-CD1 4.01Å; F85-L96 HydrophobicContact CE1-CD1 4.29Å; F85-L96 HydrophobicContact CE2-CD1 3.24Å; F85-L96 HydrophobicContact CE2-CG 3.67Å; F85-L96 HydrophobicContact CZ-CD1 3.41Å; F85-L96 VanDerWaalsContact CZ-CD1 3.41Å; F85-L96 HydrophobicContact CZ-CD2 4.22Å; F85-L96 HydrophobicContact CZ-CG 3.78Å; F85-Y99 HydrophobicContact CB-CE1 4.23Å; F85-Y99 AromaticContact CD2-CD1 3.56Å; F85-Y99 HydrophobicContact CD2-CD1 3.56Å; F85-Y99 AromaticContact CD2-CE1 3.79Å; F85-Y99 HydrophobicContact CD2-CE1 3.79Å; F85-Y99 HydrophobicContact CE2-CD1 4.14Å; F85-Y99 HydrophobicContact CG-CE1 4.46Å; F85-L100 HydrophobicContact CD2-CD2 4.04Å; F85-L100 HydrophobicContact CE1-CD2 4.29Å; F85-L100 HydrophobicContact CE2-CD1 3.96Å; F85-L100 HydrophobicContact CE2-CD2 3.27Å; F85-L100 HydrophobicContact CE2-CG 3.45Å; F85-L100 VanDerWaalsContact CE2-CG 3.45Å; F85-L100 HydrophobicContact CZ-CD1 3.7Å; F85-L100 HydrophobicContact CZ-CD2 3.43Å; F85-L100 VanDerWaalsContact CZ-CD2 3.43Å; F85-L100 HydrophobicContact CZ-CG 3.69Å; F85-L118 HydrophobicContact CE1-CD2 4.38Å; F85-W121 AromaticContact CD1-CD2 3.79Å; F85-W121 HydrophobicContact CD1-CD2 3.79Å; F85-W121 AromaticContact CD1-CE3 3.29Å; F85-W121 HydrophobicContact CD1-CE3 3.29Å; F85-W121 HydrophobicContact CD1-CG 4.4Å; F85-W121 HydrophobicContact CD1-CH2 4.28Å; F85-W121 AromaticContact CD1-CZ3 3.55Å; F85-W121 HydrophobicContact CD1-CZ3 3.55Å; F85-W121 HydrophobicContact CE1-CB 3.41Å; F85-W121 VanDerWaalsContact CE1-CB 3.41Å; F85-W121 AromaticContact CE1-CD2 3.41Å; F85-W121 HydrophobicContact CE1-CD2 3.41Å; F85-W121 VanDerWaalsContact CE1-CD2 3.41Å; F85-W121 AromaticContact CE1-CE3 3.17Å; F85-W121 HydrophobicContact CE1-CE3 3.17Å; F85-W121 AromaticContact CE1-CG 3.6Å; F85-W121 HydrophobicContact CE1-CG 3.6Å; F85-W121 AromaticContact CE1-CZ3 3.95Å; F85-W121 HydrophobicContact CE1-CZ3 3.95Å; F85-W121 HydrophobicContact CZ-CB 3.68Å; F85-W121 HydrophobicContact CZ-CD2 4.44Å; F85-W121 HydrophobicContact CZ-CE3 4.46Å; F85-W121 HydrophobicContact CZ-CG 4.22Å
86A83.9Confident82.8Confident17 Ų1757.9 Ų57.914%0.1429%0.286CS..Hα-helixtrans-62.9-33.1175.500000112.5V61 Y82 Q83 S90 W121V61-A86 HydrophobicContact CG1-CB 4.18Å; V61-A86 HydrophobicContact CG2-CB 3.84Å; Y82-A86 WeakPolarHBondContact O-CB 3.26Å; Y82-A86 PolarHBondContact O-N 3.37Å; Q83-A86 PolarHBondContact O-N 3.35Å; A86-S90 PolarHBondContact O-N 3.28Å; A86-S90 VanDerWaalsContact O-N 3.09Å; A86-S90 PolarHBondContact O-OG 3Å; A86-W121 HydrophobicContact CB-CH2 4.2Å; A86-W121 HydrophobicContact CB-CZ2 4.3Å
87R82.9Confident82.2Confident147 Ų14759 Ų5956%0.55529%0.294SS*.Hα-helixtrans-72-43.3175.8-169.8175.8-175.9173.7-2.1111.7Q83 M84 F85 W89 S90 S91Q83-R87 WeakPolarHBondContact O-CB 3.21Å; Q83-R87 PolarHBondContact O-N 3.38Å; M84-R87 PolarHBondContact O-N 2.9Å; F85-R87 VanDerWaalsContact C-N 3.26Å; F85-R87 PolarHBondContact O-N 2.94Å; R87-W89 VanDerWaalsContact C-N 3.32Å; R87-W89 PolarHBondContact O-N 3.14Å; R87-S90 PolarHBondContact O-N 3.35Å; R87-S90 PolarHBondContact O-OG 2.82Å; R87-S90 VanDerWaalsContact O-OG 3.08Å; R87-S91 WeakPolarHBondContact O-CB 3.43Å; R87-S91 PolarHBondContact O-N 3.47Å; R87-S91 PolarHBondContact O-OG 3.37Å
88I81.5Confident81.8Confident13 Ų1359.8 Ų59.87%0.06730%0.298CS..Hα-helixtrans-58.6-48.9172.9-70.4168.9000109.2M84 F85 S90 S91 H92 W95 L96 Y99M84-I88 HydrophobicContact CG-CD1 3.92Å; M84-I88 HydrophobicContact CG-CG1 4.44Å; M84-I88 VanDerWaalsContact O-CG1 3.31Å; M84-I88 WeakPolarHBondContact O-CG1 3.38Å; M84-I88 PolarHBondContact O-N 2.56Å; M84-I88 HydrophobicContact SD-CD1 4.33Å; M84-I88 HydrophobicContact SD-CG1 4.36Å; F85-I88 PolarHBondContact O-N 2.88Å; I88-S90 VanDerWaalsContact C-N 3.31Å; I88-S90 PolarHBondContact O-N 3.09Å; I88-S91 PolarHBondContact O-N 2.79Å; I88-H92 VanDerWaalsContact CG2-O 3.32Å; I88-H92 WeakPolarHBondContact CG2-O 3.49Å; I88-H92 CarbonylContact O-C 3.56Å; I88-H92 WeakPolarHBondContact O-CA 3.32Å; I88-H92 PolarHBondContact O-N 2.88Å; I88-W95 HydrophobicContact CG2-CB 3.99Å; I88-L96 HydrophobicContact CG2-CB 4.37Å; I88-L96 HydrophobicContact CG2-CD1 4.11Å; I88-Y99 HydrophobicContact CD1-CD1 4Å; I88-Y99 HydrophobicContact CD1-CD2 3.47Å; I88-Y99 VanDerWaalsContact CD1-CD2 3.47Å; I88-Y99 HydrophobicContact CD1-CE1 4.36Å; I88-Y99 HydrophobicContact CD1-CE2 3.91Å; I88-Y99 HydrophobicContact CD1-CG 3.51Å
89W80.9Confident81.4Confident100 Ų10060.9 Ų60.938%0.37930%0.301SS..Hα-helixtrans-56.3-41.3177.5178.5-101.5000113.7F85 R87 L96 W121 A124F85-W89 WeakPolarHBondContact O-CB 3.47Å; F85-W89 PolarHBondContact O-N 3.22Å; R87-W89 VanDerWaalsContact C-N 3.32Å; R87-W89 PolarHBondContact O-N 3.14Å; W89-L96 HydrophobicContact CB-CD1 4.18Å; W89-L96 HydrophobicContact CE3-CD1 3.91Å; W89-L96 HydrophobicContact CE3-CD2 3.8Å; W89-L96 HydrophobicContact CE3-CG 4.47Å; W89-L96 HydrophobicContact CZ3-CD2 3.89Å; W89-W121 AromaticContact CD1-NE1 3.34Å; W89-W121 VanDerWaalsContact CD1-NE1 3.34Å; W89-W121 AromaticContact CD2-CD1 3.24Å; W89-W121 HydrophobicContact CD2-CG 4.34Å; W89-W121 AromaticContact CD2-NE1 3.38Å; W89-W121 AromaticContact CE2-CD1 3.52Å; W89-W121 AromaticContact CE2-NE1 3.57Å; W89-W121 AromaticContact CE3-CD1 3.49Å; W89-W121 VanDerWaalsContact CE3-CD1 3.49Å; W89-W121 HydrophobicContact CE3-CG 4.34Å; W89-W121 AromaticContact CG-CD1 3.6Å; W89-W121 AromaticContact CG-NE1 3.23Å; W89-W121 AromaticContact CZ3-CD1 3.98Å; W89-W121 AromaticContact NE1-CD1 3.98Å; W89-W121 AromaticContact NE1-NE1 3.52Å; W89-A124 HydrophobicContact CH2-CB 3.5Å; W89-A124 HydrophobicContact CZ3-CB 3.5Å; W89-A124 VanDerWaalsContact CZ3-CB 3.5Å
90S78.8Confident80.7Confident70 Ų7061.5 Ų61.549%0.4930%0.304SS..Hα-helixtrans-78.9-27.1-178.5610000114.5A86 R87 I88A86-S90 PolarHBondContact O-N 3.28Å; A86-S90 VanDerWaalsContact O-N 3.09Å; A86-S90 PolarHBondContact O-OG 3Å; R87-S90 PolarHBondContact O-N 3.35Å; R87-S90 PolarHBondContact O-OG 2.82Å; R87-S90 VanDerWaalsContact O-OG 3.08Å; I88-S90 VanDerWaalsContact C-N 3.31Å; I88-S90 PolarHBondContact O-N 3.09Å
91S79.3Confident79.8Confident59 Ų5961.4 Ų61.441%0.41331%0.313SS..Hα-helixtrans-117.6-35.9-165.3-20.50000113.3R87 I88R87-S91 WeakPolarHBondContact O-CB 3.43Å; R87-S91 PolarHBondContact O-N 3.47Å; R87-S91 PolarHBondContact O-OG 3.37Å; I88-S91 PolarHBondContact O-N 2.79Å
92H79.6Confident79.2Confident86 Ų8665 Ų6540%0.39833%0.33SS..  trans-144.462-174.7-60.398.5000110.3I88 E94 W95I88-H92 VanDerWaalsContact CG2-O 3.32Å; I88-H92 WeakPolarHBondContact CG2-O 3.49Å; I88-H92 CarbonylContact O-C 3.56Å; I88-H92 WeakPolarHBondContact O-CA 3.32Å; I88-H92 PolarHBondContact O-N 2.88Å; H92-E94 WeakPolarHBondContact CA-OE2 3.34Å; H92-E94 WeakPolarHBondContact CB-OE1 3.38Å; H92-E94 IonicContact CD2-OE1 3.47Å; H92-E94 PolarHBondContact CD2-OE1 3Å; H92-E94 IonicContact CG-OE1 2.88Å; H92-E94 PolarHBondContact O-N 3.11Å; H92-W95 HydrophobicContact CB-CD2 4.17Å; H92-W95 HydrophobicContact CB-CE3 4.4Å; H92-W95 HydrophobicContact CB-CG 4.26Å; H92-W95 PolarHBondContact O-N 3.38Å
93P73.9Confident77.6Confident66 Ų6674.4 Ų74.443%0.42937%0.374SS..G310 helixtrans-57.8-22.4-17724.4-34.6000113.3W95 L96P93-W95 PolarHBondContact O-N 3.32Å; P93-L96 WeakPolarHBondContact O-CB 3.38Å; P93-L96 PolarHBondContact O-N 3.26Å; P93-L96 VanDerWaalsContact O-N 3.14Å
94E73.8Confident76.7Confident117 Ų11779.3 Ų79.355%0.54739%0.39SS..G310 helixtrans-63.8-24173.767.4-76.2178.500113.9H92 L96H92-E94 WeakPolarHBondContact CA-OE2 3.34Å; H92-E94 WeakPolarHBondContact CB-OE1 3.38Å; H92-E94 IonicContact CD2-OE1 3.47Å; H92-E94 PolarHBondContact CD2-OE1 3Å; H92-E94 IonicContact CG-OE1 2.88Å; H92-E94 PolarHBondContact O-N 3.11Å; E94-L96 VanDerWaalsContact C-N 3.33Å
95W78.9Confident75.8Confident136 Ų13680.7 Ų80.752%0.51542%0.415SS..G310 helixtrans-84.4-9.6175.7-66.82.6000112.9I88 H92 P93 T97 L98 Y99I88-W95 HydrophobicContact CG2-CB 3.99Å; H92-W95 HydrophobicContact CB-CD2 4.17Å; H92-W95 HydrophobicContact CB-CE3 4.4Å; H92-W95 HydrophobicContact CB-CG 4.26Å; H92-W95 PolarHBondContact O-N 3.38Å; P93-W95 PolarHBondContact O-N 3.32Å; W95-T97 PolarHBondContact O-N 3.24Å; W95-L98 PolarHBondContact O-N 3.34Å; W95-Y99 WeakPolarHBondContact O-CB 3.28Å; W95-Y99 PolarHBondContact O-N 3.49Å
96L78.3Confident75.2Confident3 Ų382.9 Ų82.92%0.01643%0.428CS..Hα-helixtrans-57.3-47.4-174.5-160.389.5000111.9F85 I88 W89 P93 E94 L98 Y99 L100 W121F85-L96 HydrophobicContact CD2-CD1 4.01Å; F85-L96 HydrophobicContact CE1-CD1 4.29Å; F85-L96 HydrophobicContact CE2-CD1 3.24Å; F85-L96 HydrophobicContact CE2-CG 3.67Å; F85-L96 HydrophobicContact CZ-CD1 3.41Å; F85-L96 VanDerWaalsContact CZ-CD1 3.41Å; F85-L96 HydrophobicContact CZ-CD2 4.22Å; F85-L96 HydrophobicContact CZ-CG 3.78Å; I88-L96 HydrophobicContact CG2-CB 4.37Å; I88-L96 HydrophobicContact CG2-CD1 4.11Å; W89-L96 HydrophobicContact CB-CD1 4.18Å; W89-L96 HydrophobicContact CE3-CD1 3.91Å; W89-L96 HydrophobicContact CE3-CD2 3.8Å; W89-L96 HydrophobicContact CE3-CG 4.47Å; W89-L96 HydrophobicContact CZ3-CD2 3.89Å; P93-L96 WeakPolarHBondContact O-CB 3.38Å; P93-L96 PolarHBondContact O-N 3.26Å; P93-L96 VanDerWaalsContact O-N 3.14Å; E94-L96 VanDerWaalsContact C-N 3.33Å; L96-L98 PolarHBondContact O-N 3.4Å; L96-Y99 PolarHBondContact O-N 3.38Å; L96-L100 HydrophobicContact CD2-CD1 4.36Å; L96-L100 HydrophobicContact CG-CD1 4.27Å; L96-L100 WeakPolarHBondContact O-CB 3.44Å; L96-L100 WeakPolarHBondContact O-CG 3.3Å; L96-L100 PolarHBondContact O-N 3.18Å; L96-W121 HydrophobicContact CD2-CB 4.42Å; L96-W121 VanDerWaalsContact CD2-O 3.24Å; L96-W121 WeakPolarHBondContact CD2-O 3.39Å
97T75.9Confident75.1Confident68 Ų6885.1 Ų85.142%0.41744%0.437SS..Hα-helixtrans-62.6-42.7179.8-53.40000111.7W95 A101 L127W95-T97 PolarHBondContact O-N 3.24Å; T97-A101 WeakPolarHBondContact O-CB 3.12Å; T97-A101 PolarHBondContact O-N 3Å; T97-L127 HydrophobicContact CG2-CD1 4.32Å
98L77.8Confident75.1Confident128 Ų12880.5 Ų80.567%0.6742%0.423SS*.Hα-helixtrans-67-37.9177.3-73.8170.8000112.2W95 L96W95-L98 PolarHBondContact O-N 3.34Å; L96-L98 PolarHBondContact O-N 3.4Å
99Y79.7Confident75.5Confident33 Ų3380 Ų8013%0.12942%0.421CS..Hα-helixtrans-70.6-45.1179.5-173-96.8000111.6F81 M84 F85 I88 W95 L96 Q102F81-Y99 AromaticContact CD2-CE1 3.94Å; F81-Y99 HydrophobicContact CD2-CE1 3.94Å; F81-Y99 AromaticContact CD2-CZ 3.99Å; F81-Y99 WeakPolarHBondContact CD2-OH 3.35Å; F81-Y99 HydrophobicContact CE2-CD1 4.38Å; F81-Y99 AromaticContact CE2-CE1 3.5Å; F81-Y99 HydrophobicContact CE2-CE1 3.5Å; F81-Y99 VanDerWaalsContact CE2-CE1 3.5Å; F81-Y99 AromaticContact CE2-CZ 3.95Å; F81-Y99 HydrophobicContact CZ-CE1 4.03Å; F81-Y99 PolarHBondContact O-OH 2.83Å; M84-Y99 HydrophobicContact CG-CE2 3.84Å; F85-Y99 HydrophobicContact CB-CE1 4.23Å; F85-Y99 AromaticContact CD2-CD1 3.56Å; F85-Y99 HydrophobicContact CD2-CD1 3.56Å; F85-Y99 AromaticContact CD2-CE1 3.79Å; F85-Y99 HydrophobicContact CD2-CE1 3.79Å; F85-Y99 HydrophobicContact CE2-CD1 4.14Å; F85-Y99 HydrophobicContact CG-CE1 4.46Å; I88-Y99 HydrophobicContact CD1-CD1 4Å; I88-Y99 HydrophobicContact CD1-CD2 3.47Å; I88-Y99 VanDerWaalsContact CD1-CD2 3.47Å; I88-Y99 HydrophobicContact CD1-CE1 4.36Å; I88-Y99 HydrophobicContact CD1-CE2 3.91Å; I88-Y99 HydrophobicContact CD1-CG 3.51Å; W95-Y99 WeakPolarHBondContact O-CB 3.28Å; W95-Y99 PolarHBondContact O-N 3.49Å; L96-Y99 PolarHBondContact O-N 3.38Å; Y99-Q102 WeakPolarHBondContact O-CB 3.39Å; Y99-Q102 PolarHBondContact O-N 3.11Å
100L73.6Confident75.7Confident20 Ų2081.6 Ų81.611%0.10544%0.437CS..Hα-helixtrans-68.6-31.9176.4-71.7-179.5000113.1F85 L96 Q102 Y122 L127F85-L100 HydrophobicContact CD2-CD2 4.04Å; F85-L100 HydrophobicContact CE1-CD2 4.29Å; F85-L100 HydrophobicContact CE2-CD1 3.96Å; F85-L100 HydrophobicContact CE2-CD2 3.27Å; F85-L100 HydrophobicContact CE2-CG 3.45Å; F85-L100 VanDerWaalsContact CE2-CG 3.45Å; F85-L100 HydrophobicContact CZ-CD1 3.7Å; F85-L100 HydrophobicContact CZ-CD2 3.43Å; F85-L100 VanDerWaalsContact CZ-CD2 3.43Å; F85-L100 HydrophobicContact CZ-CG 3.69Å; L96-L100 HydrophobicContact CD2-CD1 4.36Å; L96-L100 HydrophobicContact CG-CD1 4.27Å; L96-L100 WeakPolarHBondContact O-CB 3.44Å; L96-L100 WeakPolarHBondContact O-CG 3.3Å; L96-L100 PolarHBondContact O-N 3.18Å; L100-Q102 PolarHBondContact O-N 3.34Å; L100-Q102 VanDerWaalsContact O-N 3.15Å; L100-Y122 HydrophobicContact CD1-CD1 4.14Å; L100-Y122 HydrophobicContact CD1-CD2 4.2Å; L100-Y122 HydrophobicContact CD1-CE1 4.18Å; L100-Y122 HydrophobicContact CD1-CE2 4.24Å; L100-Y122 HydrophobicContact CD1-CG 4.17Å; L100-Y122 HydrophobicContact CD2-CE1 4.26Å; L100-Y122 HydrophobicContact CD2-CE2 3.79Å; L100-L127 HydrophobicContact CB-CD1 3.48Å; L100-L127 VanDerWaalsContact CB-CD1 3.48Å; L100-L127 HydrophobicContact CD1-CD1 3.67Å; L100-L127 HydrophobicContact CG-CD1 4.24Å
101A67.9Low76.2Confident64 Ų6479.5 Ų79.553%0.52942%0.42SS..THydrogen-bonded Turntrans-65.6-12.3175.800000113.3T97 H103T97-A101 WeakPolarHBondContact O-CB 3.12Å; T97-A101 PolarHBondContact O-N 3Å; A101-H103 PolarHBondContact O-N 3.04Å
102Q73.2Confident76.5Confident95 Ų9579 Ų7944%0.44442%0.419SS..SBendtrans-71102.5171.9-60.3-177.320.300109.2Y99 L100 R104Y99-Q102 WeakPolarHBondContact O-CB 3.39Å; Y99-Q102 PolarHBondContact O-N 3.11Å; L100-Q102 PolarHBondContact O-N 3.34Å; L100-Q102 VanDerWaalsContact O-N 3.15Å; Q102-R104 PolarHBondContact O-N 3.01Å
103H54.6Low76.8Confident201 Ų20180.1 Ų80.193%0.93142%0.423SS*.  trans-55.896.5172.3-77-58.5000111.2A101A101-H103 PolarHBondContact O-N 3.04Å
104R67.6Low77.6Confident156 Ų15677 Ų7759%0.58940%0.402SS*.  trans-120.6141.1170-70.9-173.7-176.3-170.54.8108.5Q102 V106Q102-R104 PolarHBondContact O-N 3.01Å; R104-V106 HydrophobicContact CB-CG2 4.12Å; R104-V106 PolarHBondContact O-N 3.27Å
105A65.6Low78.4Confident115 Ų11572 Ų7295%0.9538%0.379SS*.  trans-71101.3166.900000107.8
106V71.2Confident78.8Confident47 Ų4769 Ų6929%0.28537%0.368SS..  trans-100.9129.1179.3-178.60000108.1F81 Y82 R104F81-V106 HydrophobicContact CD1-CG1 3.64Å; F81-V106 HydrophobicContact CD1-CG2 4.16Å; F81-V106 HydrophobicContact CD2-CG2 4.31Å; F81-V106 HydrophobicContact CE1-CB 4.32Å; F81-V106 HydrophobicContact CE1-CG1 3.58Å; F81-V106 HydrophobicContact CE1-CG2 3.78Å; F81-V106 HydrophobicContact CE2-CG2 3.93Å; F81-V106 HydrophobicContact CG-CG1 4.43Å; F81-V106 HydrophobicContact CG-CG2 4.41Å; F81-V106 HydrophobicContact CZ-CG1 4.32Å; F81-V106 HydrophobicContact CZ-CG2 3.65Å; Y82-V106 HydrophobicContact CE2-CG1 4.17Å; Y82-V106 WeakPolarHBondContact OH-CG1 3.45Å; R104-V106 HydrophobicContact CB-CG2 4.12Å; R104-V106 PolarHBondContact O-N 3.27Å
107I81.9Confident79.3Confident63 Ų6370.5 Ų70.532%0.32338%0.376SS..  trans-80.2129.3169.4-63.7177.6000107.2L70 V74 Y82 P109L70-I107 HydrophobicContact CD1-CD1 3.66Å; L70-I107 HydrophobicContact CD1-CG2 3.95Å; L70-I107 HydrophobicContact CD2-CD1 4.13Å; V74-I107 HydrophobicContact CG1-CD1 3.24Å; V74-I107 HydrophobicContact CG1-CG1 4.48Å; Y82-I107 PolarHBondContact OH-O 3Å; I107-P109 VanDerWaalsContact O-CD 3.24Å; I107-P109 WeakPolarHBondContact O-CD 3.45Å
108I84.2Confident79.9Confident50 Ų5067.3 Ų67.326%0.25636%0.356SS..  trans-91.9110.6174.1-54.6176.4000108.4L118 I129 E131 L132I108-L118 HydrophobicContact CG2-CD1 4.02Å; I108-I129 HydrophobicContact CD1-CD1 3.99Å; I108-E131 HydrophobicContact CD1-CB 3.86Å; I108-L132 HydrophobicContact CD1-CD2 4.35Å; I108-L132 HydrophobicContact CD1-CG 4.2Å; I108-L132 HydrophobicContact CG2-CD2 4.24Å
109P88.5Confident80.4Confident3 Ų361.2 Ų61.22%0.01932%0.324CS..  trans-61.7133.2171.5-17.928.4000110.9F62 T66 I67 T78 Y82 I107 D111 L114 H115F62-P109 HydrophobicContact CD1-CG 4.36Å; F62-P109 HydrophobicContact CD2-CB 3.51Å; F62-P109 HydrophobicContact CD2-CG 3.54Å; F62-P109 HydrophobicContact CE1-CG 4.28Å; F62-P109 HydrophobicContact CE2-CB 3.73Å; F62-P109 HydrophobicContact CE2-CG 3.43Å; F62-P109 VanDerWaalsContact CE2-CG 3.43Å; F62-P109 HydrophobicContact CG-CB 4.23Å; F62-P109 HydrophobicContact CG-CG 4.04Å; F62-P109 HydrophobicContact CZ-CG 3.83Å; T66-P109 VanDerWaalsContact OG1-CB 3.3Å; T66-P109 WeakPolarHBondContact OG1-CB 3.47Å; I67-P109 HydrophobicContact CG2-CB 3.99Å; I67-P109 HydrophobicContact CG2-CG 3.94Å; T78-P109 HydrophobicContact CG2-CG 4.08Å; Y82-P109 HydrophobicContact CD2-CG 4.34Å; Y82-P109 VanDerWaalsContact CE2-CD 3.42Å; Y82-P109 HydrophobicContact CE2-CG 3.86Å; I107-P109 VanDerWaalsContact O-CD 3.24Å; I107-P109 WeakPolarHBondContact O-CD 3.45Å; P109-D111 PolarHBondContact O-N 2.92Å; P109-L114 HydrophobicContact CB-CD2 3.93Å; P109-L114 VanDerWaalsContact CD-CD2 3.45Å; P109-L114 HydrophobicContact CG-CD2 3.6Å; P109-H115 PolarHBondContact O-NE2 3.38Å
110D86.4Confident80.8Confident134 Ų13464.1 Ų64.172%0.71734%0.335SS*.SBendtrans-72.175.9177.7-173.222.8000111.1T66 H115T66-D110 VanDerWaalsContact CG2-O 3.24Å; T66-D110 WeakPolarHBondContact CG2-O 3.34Å; D110-H115 IonicContact OD1-CE1 3.08Å
111D88.7Confident81.4Confident26 Ų2663.8 Ų63.814%0.13933%0.332CS..  trans-134.6116.2-177.3-178.9102.5000109.8F62 N63 T66 P109 K113 L114 H115F62-D111 HydrophobicContact CB-CB 4.23Å; N63-D111 VanDerWaalsContact CB-OD1 3.23Å; N63-D111 WeakPolarHBondContact CB-OD1 3.09Å; N63-D111 PolarHBondContact N-OD1 2.82Å; T66-D111 HydrophobicContact CG2-CB 4.4Å; P109-D111 PolarHBondContact O-N 2.92Å; D111-K113 PolarHBondContact O-N 2.69Å; D111-K113 WeakPolarHBondContact OD2-CA 3.28Å; D111-K113 VanDerWaalsContact OD2-CB 3.29Å; D111-K113 WeakPolarHBondContact OD2-CB 3.39Å; D111-K113 PolarHBondContact OD2-N 3.03Å; D111-L114 HydrophobicContact CB-CB 3.94Å; D111-L114 WeakPolarHBondContact O-CB 3.35Å; D111-L114 PolarHBondContact O-N 3.46Å; D111-L114 VanDerWaalsContact O-N 3.1Å; D111-L114 PolarHBondContact OD2-N 3.21Å; D111-H115 PolarHBondContact O-CD2 3.5Å; D111-H115 PolarHBondContact O-N 3.43Å
112A85.6Confident82.2Confident47 Ų4762.5 Ų62.539%0.38831%0.314SS..Hα-helixtrans-63.2-25.9-175.700000113.9R116 Y135A112-R116 WeakPolarHBondContact O-CG 3.47Å; A112-R116 PolarHBondContact O-N 2.83Å; A112-R116 PolarHBondContact O-NE 3Å; A112-R116 VanDerWaalsContact O-NE 3.16Å; A112-Y135 PolarHBondContact O-OH 3.39Å
113K86.4Confident82.8Confident110 Ų11058.1 Ų58.148%0.47829%0.294SS..Hα-helixtrans-74.9-41.9175.4-175.6-173.3177.3-170.30109.6D111 N117D111-K113 PolarHBondContact O-N 2.69Å; D111-K113 WeakPolarHBondContact OD2-CA 3.28Å; D111-K113 VanDerWaalsContact OD2-CB 3.29Å; D111-K113 WeakPolarHBondContact OD2-CB 3.39Å; D111-K113 PolarHBondContact OD2-N 3.03Å; K113-N117 PolarHBondContact O-N 3.26Å; K113-N117 VanDerWaalsContact O-N 3.07Å; K113-N117 PolarHBondContact O-ND2 3.16Å
114L89.7Confident84.2Confident0 Ų051.3 Ų51.30%027%0.272CS..Hα-helixtrans-63.7-46.6175.2-176.662.3000111.9V61 F62 Y82 P109 D111 R116 N117 L118 W121V61-L114 HydrophobicContact CG1-CD1 4.22Å; F62-L114 HydrophobicContact CB-CB 3.82Å; F62-L114 HydrophobicContact CB-CD1 4.31Å; F62-L114 HydrophobicContact CB-CD2 3.74Å; F62-L114 HydrophobicContact CB-CG 4.16Å; F62-L114 HydrophobicContact CD1-CD2 4.21Å; F62-L114 HydrophobicContact CG-CD2 3.96Å; Y82-L114 HydrophobicContact CD1-CD1 3.91Å; Y82-L114 HydrophobicContact CD1-CD2 4.49Å; Y82-L114 HydrophobicContact CD2-CD2 4.4Å; Y82-L114 HydrophobicContact CE1-CD1 4.13Å; Y82-L114 HydrophobicContact CE1-CD2 4.23Å; Y82-L114 HydrophobicContact CE2-CD2 4.14Å; Y82-L114 HydrophobicContact CG-CD1 4.35Å; P109-L114 HydrophobicContact CB-CD2 3.93Å; P109-L114 VanDerWaalsContact CD-CD2 3.45Å; P109-L114 HydrophobicContact CG-CD2 3.6Å; D111-L114 HydrophobicContact CB-CB 3.94Å; D111-L114 WeakPolarHBondContact O-CB 3.35Å; D111-L114 PolarHBondContact O-N 3.46Å; D111-L114 VanDerWaalsContact O-N 3.1Å; D111-L114 PolarHBondContact OD2-N 3.21Å; L114-R116 VanDerWaalsContact C-N 3.3Å; L114-R116 PolarHBondContact O-N 3.32Å; L114-N117 CarbonylContact O-C 3.57Å; L114-N117 PolarHBondContact O-N 3.41Å; L114-N117 VanDerWaalsContact O-N 3.1Å; L114-L118 HydrophobicContact CD1-CD1 4.28Å; L114-L118 HydrophobicContact CD1-CG 4.17Å; L114-L118 HydrophobicContact CD2-CD1 4.31Å; L114-L118 HydrophobicContact CG-CD1 3.84Å; L114-L118 HydrophobicContact CG-CG 4.19Å; L114-L118 WeakPolarHBondContact O-CG 2.83Å; L114-L118 PolarHBondContact O-N 3.38Å; L114-W121 HydrophobicContact CD1-CZ3 4.04Å
115H90.5Very high84.7Confident13 Ų1344.3 Ų44.36%0.0625%0.249CC..Hα-helixtrans-58.1-43.5179.5-63.3167.2000111.8P109 D110 D111 L118 L119 L132 Y135P109-H115 PolarHBondContact O-NE2 3.38Å; D110-H115 IonicContact OD1-CE1 3.08Å; D111-H115 PolarHBondContact O-CD2 3.5Å; D111-H115 PolarHBondContact O-N 3.43Å; H115-L118 PolarHBondContact O-N 3.01Å; H115-L119 WeakPolarHBondContact O-CG 3.25Å; H115-L119 PolarHBondContact O-N 3.5Å; H115-L132 HydrophobicContact CB-CD1 4.43Å; H115-L132 HydrophobicContact CB-CD2 4.41Å; H115-Y135 HydrophobicContact CB-CD1 3.58Å; H115-Y135 HydrophobicContact CB-CD2 4.25Å; H115-Y135 HydrophobicContact CB-CE1 3.32Å; H115-Y135 HydrophobicContact CB-CE2 4.02Å; H115-Y135 HydrophobicContact CB-CG 4.04Å; H115-Y135 AromaticContact ND1-CD2 3.36Å; H115-Y135 WeakPolarHBondContact ND1-CD2 3.36Å; H115-Y135 AromaticContact ND1-CE2 3.4Å; H115-Y135 WeakPolarHBondContact ND1-CE2 3.45Å; H115-Y135 AromaticContact ND1-CG 3.81Å; H115-Y135 AromaticContact ND1-CZ 3.89Å
116R88.6Confident85.5Confident72 Ų7245.2 Ų45.227%0.27223%0.228SC..Hα-helixtrans-62.4-42.9174.4-74.3-174.7-79.3-147.7-0.3112.5A112 L114 L118 L119 R120 Y135 W139 E143A112-R116 WeakPolarHBondContact O-CG 3.47Å; A112-R116 PolarHBondContact O-N 2.83Å; A112-R116 PolarHBondContact O-NE 3Å; A112-R116 VanDerWaalsContact O-NE 3.16Å; L114-R116 VanDerWaalsContact C-N 3.3Å; L114-R116 PolarHBondContact O-N 3.32Å; R116-L118 VanDerWaalsContact C-N 3.35Å; R116-L119 PolarHBondContact O-N 3.26Å; R116-R120 WeakPolarHBondContact O-CB 3.17Å; R116-R120 VanDerWaalsContact O-CG 3.28Å; R116-R120 WeakPolarHBondContact O-CG 3.17Å; R116-R120 PolarHBondContact O-N 3.18Å; R116-Y135 HydrophobicContact CG-CE1 4.26Å; R116-W139 HydrophobicContact CB-CH2 4.38Å; R116-W139 VanDerWaalsContact CD-CZ2 3.47Å; R116-W139 HydrophobicContact CG-CD2 4.11Å; R116-W139 HydrophobicContact CG-CE3 4.06Å; R116-W139 HydrophobicContact CG-CH2 3.84Å; R116-W139 HydrophobicContact CG-CZ2 3.89Å; R116-W139 HydrophobicContact CG-CZ3 3.92Å; R116-E143 IonicContact NH1-OE1 2.55Å; R116-E143 PolarHBondContact NH1-OE1 3.01Å; R116-E143 VanDerWaalsContact NH1-OE1 3.13Å; R116-E143 IonicContact NH1-OE2 3.16Å
117N88.2Confident86.1Confident35 Ų3544.9 Ų44.919%0.18722%0.224CC..Hα-helixtrans-64.3-40.1175.2-73.9-19.4000111.6K113 L114 R120 W121K113-N117 PolarHBondContact O-N 3.26Å; K113-N117 VanDerWaalsContact O-N 3.07Å; K113-N117 PolarHBondContact O-ND2 3.16Å; L114-N117 CarbonylContact O-C 3.57Å; L114-N117 PolarHBondContact O-N 3.41Å; L114-N117 VanDerWaalsContact O-N 3.1Å; N117-R120 WeakPolarHBondContact O-CB 3.4Å; N117-R120 PolarHBondContact O-N 3.34Å; N117-W121 HydrophobicContact CB-CD2 4.04Å; N117-W121 HydrophobicContact CB-CE3 3.9Å; N117-W121 HydrophobicContact CB-CH2 3.81Å; N117-W121 HydrophobicContact CB-CZ2 3.83Å; N117-W121 HydrophobicContact CB-CZ3 3.82Å; N117-W121 VanDerWaalsContact O-CB 3.31Å; N117-W121 WeakPolarHBondContact O-CB 3.4Å; N117-W121 PolarHBondContact O-N 3.31Å
118L88.8Confident86.2Confident2 Ų245.6 Ų45.61%0.0123%0.228CC..Hα-helixtrans-63.7-46.9176.9-73.4170000111.6Y82 F85 I108 L114 H115 R116 R120 W121 Y122 L132Y82-L118 HydrophobicContact CD1-CD2 4.31Å; Y82-L118 HydrophobicContact CE1-CD1 4Å; Y82-L118 HydrophobicContact CE1-CD2 3.63Å; Y82-L118 HydrophobicContact CE1-CG 4.27Å; F85-L118 HydrophobicContact CE1-CD2 4.38Å; I108-L118 HydrophobicContact CG2-CD1 4.02Å; L114-L118 HydrophobicContact CD1-CD1 4.28Å; L114-L118 HydrophobicContact CD1-CG 4.17Å; L114-L118 HydrophobicContact CD2-CD1 4.31Å; L114-L118 HydrophobicContact CG-CD1 3.84Å; L114-L118 HydrophobicContact CG-CG 4.19Å; L114-L118 WeakPolarHBondContact O-CG 2.83Å; L114-L118 PolarHBondContact O-N 3.38Å; H115-L118 PolarHBondContact O-N 3.01Å; R116-L118 VanDerWaalsContact C-N 3.35Å; L118-R120 VanDerWaalsContact C-N 3.26Å; L118-R120 PolarHBondContact O-N 3.49Å; L118-W121 HydrophobicContact CD2-CE3 3.8Å; L118-W121 HydrophobicContact CD2-CZ3 4.18Å; L118-W121 HydrophobicContact CG-CE3 4.25Å; L118-W121 PolarHBondContact O-N 3.35Å; L118-Y122 HydrophobicContact CD2-CD2 4.33Å; L118-Y122 HydrophobicContact CD2-CE2 3.95Å; L118-Y122 WeakPolarHBondContact O-CB 3.25Å; L118-Y122 WeakPolarHBondContact O-CD2 3.13Å; L118-Y122 PolarHBondContact O-N 3.07Å; L118-L132 HydrophobicContact CB-CD1 3.68Å; L118-L132 HydrophobicContact CD1-CD1 3.96Å; L118-L132 HydrophobicContact CG-CD1 4.48Å
119L88.3Confident86.2Confident0 Ų043.4 Ų43.40%022%0.217CC..Hα-helixtrans-56-43.5173.8-72.5174.2000111.5H115 R116 S123 I129 L132 Y135 A136 W139 Y152 Q156H115-L119 WeakPolarHBondContact O-CG 3.25Å; H115-L119 PolarHBondContact O-N 3.5Å; R116-L119 PolarHBondContact O-N 3.26Å; L119-S123 WeakPolarHBondContact O-CB 3.47Å; L119-S123 PolarHBondContact O-N 3.17Å; L119-S123 PolarHBondContact O-OG 2.88Å; L119-I129 HydrophobicContact CD2-CG2 4.46Å; L119-L132 HydrophobicContact CD2-CB 4.15Å; L119-Y135 HydrophobicContact CD1-CD1 3.95Å; L119-Y135 HydrophobicContact CD1-CE1 4.23Å; L119-A136 HydrophobicContact CD1-CB 3.97Å; L119-A136 HydrophobicContact CD2-CB 4.15Å; L119-W139 HydrophobicContact CD1-CE3 3.83Å; L119-W139 HydrophobicContact CD1-CZ3 4.04Å; L119-Y152 HydrophobicContact CB-CD1 4.36Å; L119-Y152 HydrophobicContact CB-CG 4.3Å; L119-Q156 HydrophobicContact CD2-CG 3.68Å
120R87.6Confident85.9Confident93 Ų9346.5 Ų46.535%0.35124%0.237SC..Hα-helixtrans-60.3-51174.9-75.9170.1172.9-169.5-3.3112.4R116 N117 L118 A124 D148 Y152R116-R120 WeakPolarHBondContact O-CB 3.17Å; R116-R120 VanDerWaalsContact O-CG 3.28Å; R116-R120 WeakPolarHBondContact O-CG 3.17Å; R116-R120 PolarHBondContact O-N 3.18Å; N117-R120 WeakPolarHBondContact O-CB 3.4Å; N117-R120 PolarHBondContact O-N 3.34Å; L118-R120 VanDerWaalsContact C-N 3.26Å; L118-R120 PolarHBondContact O-N 3.49Å; R120-A124 VanDerWaalsContact O-CB 3.31Å; R120-A124 WeakPolarHBondContact O-CB 3.44Å; R120-A124 PolarHBondContact O-N 3.04Å; R120-D148 IonicContact CZ-OD2 2.82Å; R120-D148 IonicContact NH2-OD2 2.75Å; R120-D148 PolarHBondContact NH2-OD2 3.29Å; R120-Y152 HydrophobicContact CB-CE1 4.23Å; R120-Y152 HydrophobicContact CG-CE1 3.72Å; R120-Y152 HydrophobicContact CG-CE2 3.87Å; R120-Y152 WeakPolarHBondContact CG-OH 3.39Å
121W86.2Confident85.7Confident13 Ų1346.7 Ų46.75%0.04923%0.234CC..Hα-helixtrans-67-47.7-175.5-62.9-30.3000112.4V61 F85 A86 W89 L96 L114 N117 L118 A124 G125V61-W121 HydrophobicContact CG1-CH2 3.97Å; F85-W121 AromaticContact CD1-CD2 3.79Å; F85-W121 HydrophobicContact CD1-CD2 3.79Å; F85-W121 AromaticContact CD1-CE3 3.29Å; F85-W121 HydrophobicContact CD1-CE3 3.29Å; F85-W121 HydrophobicContact CD1-CG 4.4Å; F85-W121 HydrophobicContact CD1-CH2 4.28Å; F85-W121 AromaticContact CD1-CZ3 3.55Å; F85-W121 HydrophobicContact CD1-CZ3 3.55Å; F85-W121 HydrophobicContact CE1-CB 3.41Å; F85-W121 VanDerWaalsContact CE1-CB 3.41Å; F85-W121 AromaticContact CE1-CD2 3.41Å; F85-W121 HydrophobicContact CE1-CD2 3.41Å; F85-W121 VanDerWaalsContact CE1-CD2 3.41Å; F85-W121 AromaticContact CE1-CE3 3.17Å; F85-W121 HydrophobicContact CE1-CE3 3.17Å; F85-W121 AromaticContact CE1-CG 3.6Å; F85-W121 HydrophobicContact CE1-CG 3.6Å; F85-W121 AromaticContact CE1-CZ3 3.95Å; F85-W121 HydrophobicContact CE1-CZ3 3.95Å; F85-W121 HydrophobicContact CZ-CB 3.68Å; F85-W121 HydrophobicContact CZ-CD2 4.44Å; F85-W121 HydrophobicContact CZ-CE3 4.46Å; F85-W121 HydrophobicContact CZ-CG 4.22Å; A86-W121 HydrophobicContact CB-CH2 4.2Å; A86-W121 HydrophobicContact CB-CZ2 4.3Å; W89-W121 AromaticContact CD1-NE1 3.34Å; W89-W121 VanDerWaalsContact CD1-NE1 3.34Å; W89-W121 AromaticContact CD2-CD1 3.24Å; W89-W121 HydrophobicContact CD2-CG 4.34Å; W89-W121 AromaticContact CD2-NE1 3.38Å; W89-W121 AromaticContact CE2-CD1 3.52Å; W89-W121 AromaticContact CE2-NE1 3.57Å; W89-W121 AromaticContact CE3-CD1 3.49Å; W89-W121 VanDerWaalsContact CE3-CD1 3.49Å; W89-W121 HydrophobicContact CE3-CG 4.34Å; W89-W121 AromaticContact CG-CD1 3.6Å; W89-W121 AromaticContact CG-NE1 3.23Å; W89-W121 AromaticContact CZ3-CD1 3.98Å; W89-W121 AromaticContact NE1-CD1 3.98Å; W89-W121 AromaticContact NE1-NE1 3.52Å; L96-W121 HydrophobicContact CD2-CB 4.42Å; L96-W121 VanDerWaalsContact CD2-O 3.24Å; L96-W121 WeakPolarHBondContact CD2-O 3.39Å; L114-W121 HydrophobicContact CD1-CZ3 4.04Å; N117-W121 HydrophobicContact CB-CD2 4.04Å; N117-W121 HydrophobicContact CB-CE3 3.9Å; N117-W121 HydrophobicContact CB-CH2 3.81Å; N117-W121 HydrophobicContact CB-CZ2 3.83Å; N117-W121 HydrophobicContact CB-CZ3 3.82Å; N117-W121 VanDerWaalsContact O-CB 3.31Å; N117-W121 WeakPolarHBondContact O-CB 3.4Å; N117-W121 PolarHBondContact O-N 3.31Å; L118-W121 HydrophobicContact CD2-CE3 3.8Å; L118-W121 HydrophobicContact CD2-CZ3 4.18Å; L118-W121 HydrophobicContact CG-CE3 4.25Å; L118-W121 PolarHBondContact O-N 3.35Å; W121-A124 PolarHBondContact O-N 3.18Å; W121-G125 PolarHBondContact O-N 3.18Å
122Y85.5Confident85.5Confident38 Ų3845.8 Ų45.815%0.14923%0.229CC..Hα-helixtrans-64.1-41.7176.9-85.9-100.8000111.5L100 L118 A124 G125 R126 L127 D128 I129L100-Y122 HydrophobicContact CD1-CD1 4.14Å; L100-Y122 HydrophobicContact CD1-CD2 4.2Å; L100-Y122 HydrophobicContact CD1-CE1 4.18Å; L100-Y122 HydrophobicContact CD1-CE2 4.24Å; L100-Y122 HydrophobicContact CD1-CG 4.17Å; L100-Y122 HydrophobicContact CD2-CE1 4.26Å; L100-Y122 HydrophobicContact CD2-CE2 3.79Å; L118-Y122 HydrophobicContact CD2-CD2 4.33Å; L118-Y122 HydrophobicContact CD2-CE2 3.95Å; L118-Y122 WeakPolarHBondContact O-CB 3.25Å; L118-Y122 WeakPolarHBondContact O-CD2 3.13Å; L118-Y122 PolarHBondContact O-N 3.07Å; Y122-A124 VanDerWaalsContact C-N 3.34Å; Y122-A124 PolarHBondContact O-N 3.43Å; Y122-G125 CarbonylContact O-C 2.88Å; Y122-G125 PolarHBondContact O-N 3.39Å; Y122-R126 PolarHBondContact O-N 3.39Å; Y122-L127 HydrophobicContact CD1-CB 3.89Å; Y122-L127 PolarHBondContact O-N 3.08Å; Y122-D128 WeakPolarHBondContact CD1-O 3.44Å; Y122-I129 HydrophobicContact CD1-CB 3.79Å; Y122-I129 HydrophobicContact CD1-CG2 4.17Å; Y122-I129 HydrophobicContact CD2-CB 4.39Å; Y122-I129 HydrophobicContact CD2-CD1 4.16Å; Y122-I129 HydrophobicContact CD2-CG2 4.3Å; Y122-I129 HydrophobicContact CE1-CB 3.98Å; Y122-I129 HydrophobicContact CE1-CD1 4.38Å; Y122-I129 HydrophobicContact CE2-CD1 3.77Å; Y122-I129 HydrophobicContact CG-CB 4Å; Y122-I129 HydrophobicContact CG-CG2 3.91Å
123S86Confident85.5Confident2 Ų245.3 Ų45.31%0.01422%0.22CC..Hα-helixtrans-67.2-35.4178.5-55.30000112.5L119 G125 R126 Q156 Y159L119-S123 WeakPolarHBondContact O-CB 3.47Å; L119-S123 PolarHBondContact O-N 3.17Å; L119-S123 PolarHBondContact O-OG 2.88Å; S123-G125 VanDerWaalsContact C-N 3.35Å; S123-R126 PolarHBondContact O-N 3.26Å; S123-Q156 PolarHBondContact OG-NE2 3.37Å; S123-Q156 VanDerWaalsContact OG-NE2 3.09Å; S123-Y159 PolarHBondContact O-OH 3.21Å
124A82.5Confident85.5Confident58 Ų5846.3 Ų46.348%0.47923%0.23SC..Hα-helixtrans-66.2-36.7172.600000112.3W89 R120 W121 Y122 R126W89-A124 HydrophobicContact CH2-CB 3.5Å; W89-A124 HydrophobicContact CZ3-CB 3.5Å; W89-A124 VanDerWaalsContact CZ3-CB 3.5Å; R120-A124 VanDerWaalsContact O-CB 3.31Å; R120-A124 WeakPolarHBondContact O-CB 3.44Å; R120-A124 PolarHBondContact O-N 3.04Å; W121-A124 PolarHBondContact O-N 3.18Å; Y122-A124 VanDerWaalsContact C-N 3.34Å; Y122-A124 PolarHBondContact O-N 3.43Å; A124-R126 PolarHBondContact O-N 3.28Å
125G79.1Confident85.4Confident9 Ų948.6 Ų48.69%0.09324%0.239CC..THydrogen-bonded Turntrans-74.6-5.4172.300000114.9W121 Y122 S123 L127W121-G125 PolarHBondContact O-N 3.18Å; Y122-G125 CarbonylContact O-C 2.88Å; Y122-G125 PolarHBondContact O-N 3.39Å; S123-G125 VanDerWaalsContact C-N 3.35Å; G125-L127 VanDerWaalsContact C-N 3.25Å; G125-L127 PolarHBondContact O-N 3.36Å
126R82.5Confident85.2Confident135 Ų13548 Ų4851%0.50924%0.237SC..THydrogen-bonded Turntrans54.838.3-170.2-53.2-174.3-177.4176.72.4113.4Y122 S123 A124 Y159Y122-R126 PolarHBondContact O-N 3.39Å; S123-R126 PolarHBondContact O-N 3.26Å; A124-R126 PolarHBondContact O-N 3.28Å; R126-Y159 HydrophobicContact CB-CD1 4.22Å; R126-Y159 HydrophobicContact CB-CE1 3.63Å; R126-Y159 HydrophobicContact CG-CE1 4.04Å
127L83.8Confident85.2Confident40 Ų4048.2 Ų48.221%0.20924%0.241CC..  trans-113.5150-178.2-68.8167.1000110.6T97 L100 Y122 G125 Q156T97-L127 HydrophobicContact CG2-CD1 4.32Å; L100-L127 HydrophobicContact CB-CD1 3.48Å; L100-L127 VanDerWaalsContact CB-CD1 3.48Å; L100-L127 HydrophobicContact CD1-CD1 3.67Å; L100-L127 HydrophobicContact CG-CD1 4.24Å; Y122-L127 HydrophobicContact CD1-CB 3.89Å; Y122-L127 PolarHBondContact O-N 3.08Å; G125-L127 VanDerWaalsContact C-N 3.25Å; G125-L127 PolarHBondContact O-N 3.36Å; L127-Q156 PolarHBondContact O-NE2 3.27Å
128D83.3Confident85.1Confident77 Ų7749 Ų4941%0.41225%0.249SC..  trans-85.1143.9175.161.2-65.6000112.4Y122Y122-D128 WeakPolarHBondContact CD1-O 3.44Å
129I84.3Confident85Confident5 Ų549.1 Ų49.13%0.02625%0.249CC..  trans-13380.9165-175.2162.3000109.5I108 L119 Y122 E131 L132I108-I129 HydrophobicContact CD1-CD1 3.99Å; L119-I129 HydrophobicContact CD2-CG2 4.46Å; Y122-I129 HydrophobicContact CD1-CB 3.79Å; Y122-I129 HydrophobicContact CD1-CG2 4.17Å; Y122-I129 HydrophobicContact CD2-CB 4.39Å; Y122-I129 HydrophobicContact CD2-CD1 4.16Å; Y122-I129 HydrophobicContact CD2-CG2 4.3Å; Y122-I129 HydrophobicContact CE1-CB 3.98Å; Y122-I129 HydrophobicContact CE1-CD1 4.38Å; Y122-I129 HydrophobicContact CE2-CD1 3.77Å; Y122-I129 HydrophobicContact CG-CB 4Å; Y122-I129 HydrophobicContact CG-CG2 3.91Å; I129-E131 PolarHBondContact O-N 3.26Å; I129-E131 VanDerWaalsContact O-N 3.08Å; I129-L132 HydrophobicContact CD1-CD1 3.82Å; I129-L132 HydrophobicContact CD1-CG 4.04Å; I129-L132 HydrophobicContact CG1-CB 4.39Å; I129-L132 HydrophobicContact CG1-CD1 4.41Å; I129-L132 HydrophobicContact CG1-CG 4.2Å; I129-L132 HydrophobicContact CG2-CB 4.26Å; I129-L132 HydrophobicContact CG2-CD1 4.5Å; I129-L132 PolarHBondContact O-N 2.59Å; I129-L132 VanDerWaalsContact O-N 3.1Å
130P82.2Confident84.9Confident67 Ų6753.2 Ų53.244%0.43526%0.264SS..G310 helixtrans-55.7-30-175.8-25.434.4000113.7L132 L133P130-L132 PolarHBondContact O-N 3.2Å; P130-L133 WeakPolarHBondContact O-CB 3.44Å; P130-L133 PolarHBondContact O-N 3.13Å
131E82.6Confident84.8Confident138 Ų13856.3 Ų56.365%0.64528%0.283SS*.G310 helixtrans-64.1-21.8-178.8-61.882.117900113.6I108 I129I108-E131 HydrophobicContact CD1-CB 3.86Å; I129-E131 PolarHBondContact O-N 3.26Å; I129-E131 VanDerWaalsContact O-N 3.08Å
132L83.9Confident84.9Confident7 Ų760.3 Ų60.34%0.03731%0.309CS..G310 helixtrans-105.17.4178.9-68.2-175.1000113.5I108 H115 L118 L119 I129 P130 Y135 A136I108-L132 HydrophobicContact CD1-CD2 4.35Å; I108-L132 HydrophobicContact CD1-CG 4.2Å; I108-L132 HydrophobicContact CG2-CD2 4.24Å; H115-L132 HydrophobicContact CB-CD1 4.43Å; H115-L132 HydrophobicContact CB-CD2 4.41Å; L118-L132 HydrophobicContact CB-CD1 3.68Å; L118-L132 HydrophobicContact CD1-CD1 3.96Å; L118-L132 HydrophobicContact CG-CD1 4.48Å; L119-L132 HydrophobicContact CD2-CB 4.15Å; I129-L132 HydrophobicContact CD1-CD1 3.82Å; I129-L132 HydrophobicContact CD1-CG 4.04Å; I129-L132 HydrophobicContact CG1-CB 4.39Å; I129-L132 HydrophobicContact CG1-CD1 4.41Å; I129-L132 HydrophobicContact CG1-CG 4.2Å; I129-L132 HydrophobicContact CG2-CB 4.26Å; I129-L132 HydrophobicContact CG2-CD1 4.5Å; I129-L132 PolarHBondContact O-N 2.59Å; I129-L132 VanDerWaalsContact O-N 3.1Å; P130-L132 PolarHBondContact O-N 3.2Å; L132-Y135 WeakPolarHBondContact O-CB 3.09Å; L132-Y135 PolarHBondContact O-N 3.07Å; L132-A136 PolarHBondContact O-N 2.96Å
133L86.2Confident84.8Confident38 Ų3861.9 Ų61.920%0.19932%0.318CS..Hα-helixtrans-64-44.4-179.7-171.565.5000112P130 Y135 A136 Q137 Q156 R157P130-L133 WeakPolarHBondContact O-CB 3.44Å; P130-L133 PolarHBondContact O-N 3.13Å; L133-Y135 PolarHBondContact O-N 3.11Å; L133-A136 PolarHBondContact O-N 2.63Å; L133-A136 VanDerWaalsContact O-N 3.13Å; L133-Q137 PolarHBondContact O-N 3.01Å; L133-Q156 HydrophobicContact CD1-CB 4.1Å; L133-R157 HydrophobicContact CD1-CG 3.76Å
134D85.3Confident84.5Confident130 Ų13066.3 Ų66.370%0.69535%0.347SS*.Hα-helixtrans-59.8-36174.8-68.7-13.6000111.3S138D134-S138 WeakPolarHBondContact O-CB 3.45Å; D134-S138 PolarHBondContact O-N 2.88Å
135Y88.1Confident84.4Confident49 Ų4971.2 Ų71.219%0.19237%0.365CS..Hα-helixtrans-69.7-41.6175.7179.5-91.4000111.8A112 H115 R116 L119 L132 L133 Q137 S138 W139A112-Y135 PolarHBondContact O-OH 3.39Å; H115-Y135 HydrophobicContact CB-CD1 3.58Å; H115-Y135 HydrophobicContact CB-CD2 4.25Å; H115-Y135 HydrophobicContact CB-CE1 3.32Å; H115-Y135 HydrophobicContact CB-CE2 4.02Å; H115-Y135 HydrophobicContact CB-CG 4.04Å; H115-Y135 AromaticContact ND1-CD2 3.36Å; H115-Y135 WeakPolarHBondContact ND1-CD2 3.36Å; H115-Y135 AromaticContact ND1-CE2 3.4Å; H115-Y135 WeakPolarHBondContact ND1-CE2 3.45Å; H115-Y135 AromaticContact ND1-CG 3.81Å; H115-Y135 AromaticContact ND1-CZ 3.89Å; R116-Y135 HydrophobicContact CG-CE1 4.26Å; L119-Y135 HydrophobicContact CD1-CD1 3.95Å; L119-Y135 HydrophobicContact CD1-CE1 4.23Å; L132-Y135 WeakPolarHBondContact O-CB 3.09Å; L132-Y135 PolarHBondContact O-N 3.07Å; L133-Y135 PolarHBondContact O-N 3.11Å; Y135-Q137 VanDerWaalsContact C-N 3.32Å; Y135-Q137 PolarHBondContact O-N 2.81Å; Y135-S138 PolarHBondContact O-N 3.31Å; Y135-W139 HydrophobicContact CE1-CB 4.4Å; Y135-W139 WeakPolarHBondContact O-CB 3.03Å; Y135-W139 PolarHBondContact O-N 2.9Å
136A87.1Confident84.6Confident1 Ų173 Ų731%0.00837%0.372CS..Hα-helixtrans-61.1-42.4176.600000111.5L119 L132 L133 W139 R140 E153L119-A136 HydrophobicContact CD1-CB 3.97Å; L119-A136 HydrophobicContact CD2-CB 4.15Å; L132-A136 PolarHBondContact O-N 2.96Å; L133-A136 PolarHBondContact O-N 2.63Å; L133-A136 VanDerWaalsContact O-N 3.13Å; A136-W139 PolarHBondContact O-N 3.34Å; A136-R140 PolarHBondContact O-N 3.22Å; A136-R140 VanDerWaalsContact O-N 3.1Å; A136-E153 HydrophobicContact CB-CB 4.26Å; A136-E153 HydrophobicContact CB-CG 4.47Å
137Q88.3Confident84.5Confident75 Ų7573.6 Ų73.635%0.3538%0.381SS..Hα-helixtrans-63-47.4173.8-69.5176.8-7.200111.5L133 Y135 W139 R140 E141 E153L133-Q137 PolarHBondContact O-N 3.01Å; Y135-Q137 VanDerWaalsContact C-N 3.32Å; Y135-Q137 PolarHBondContact O-N 2.81Å; Q137-W139 VanDerWaalsContact C-N 3.27Å; Q137-W139 PolarHBondContact O-N 2.96Å; Q137-R140 PolarHBondContact O-N 2.81Å; Q137-E141 WeakPolarHBondContact O-CG 3.33Å; Q137-E141 PolarHBondContact O-N 3.37Å; Q137-E153 HydrophobicContact CG-CG 4.06Å
138S86.3Confident84.6Confident51 Ų5173.9 Ų73.936%0.35738%0.382SS..Hα-helixtrans-60.8-36175.8-179.10000112.7D134 Y135 E141 T142D134-S138 WeakPolarHBondContact O-CB 3.45Å; D134-S138 PolarHBondContact O-N 2.88Å; Y135-S138 PolarHBondContact O-N 3.31Å; S138-E141 PolarHBondContact O-N 3.17Å; S138-T142 WeakPolarHBondContact O-CB 3.31Å; S138-T142 VanDerWaalsContact O-CG2 3.3Å; S138-T142 WeakPolarHBondContact O-CG2 3.33Å; S138-T142 PolarHBondContact O-N 2.8Å; S138-T142 PolarHBondContact O-OG1 2.71Å
139W86.8Confident84.7Confident5 Ų570.2 Ų70.22%0.01936%0.363CS..Hα-helixtrans-65-42.9176.9-175.618.6000111.2R116 L119 Y135 A136 Q137 E141 T142 E143 D148 A149 Y152R116-W139 HydrophobicContact CB-CH2 4.38Å; R116-W139 VanDerWaalsContact CD-CZ2 3.47Å; R116-W139 HydrophobicContact CG-CD2 4.11Å; R116-W139 HydrophobicContact CG-CE3 4.06Å; R116-W139 HydrophobicContact CG-CH2 3.84Å; R116-W139 HydrophobicContact CG-CZ2 3.89Å; R116-W139 HydrophobicContact CG-CZ3 3.92Å; L119-W139 HydrophobicContact CD1-CE3 3.83Å; L119-W139 HydrophobicContact CD1-CZ3 4.04Å; Y135-W139 HydrophobicContact CE1-CB 4.4Å; Y135-W139 WeakPolarHBondContact O-CB 3.03Å; Y135-W139 PolarHBondContact O-N 2.9Å; A136-W139 PolarHBondContact O-N 3.34Å; Q137-W139 VanDerWaalsContact C-N 3.27Å; Q137-W139 PolarHBondContact O-N 2.96Å; W139-E141 VanDerWaalsContact C-N 3.34Å; W139-E141 PolarHBondContact O-N 3.48Å; W139-T142 WeakPolarHBondContact CA-OG1 3.05Å; W139-T142 PolarHBondContact O-N 2.84Å; W139-T142 PolarHBondContact O-OG1 2.94Å; W139-T142 VanDerWaalsContact O-OG1 3.08Å; W139-E143 PolarHBondContact NE1-OE2 3.34Å; W139-E143 PolarHBondContact O-N 3.15Å; W139-D148 HydrophobicContact CH2-CB 4.21Å; W139-D148 HydrophobicContact CZ2-CB 4.46Å; W139-A149 HydrophobicContact CD2-CB 4.1Å; W139-A149 HydrophobicContact CG-CB 4.26Å; W139-Y152 AromaticContact CH2-CD2 3.8Å; W139-Y152 HydrophobicContact CH2-CD2 3.8Å; W139-Y152 HydrophobicContact CH2-CE2 4.27Å; W139-Y152 AromaticContact CZ3-CD2 3.6Å; W139-Y152 HydrophobicContact CZ3-CD2 3.6Å; W139-Y152 HydrophobicContact CZ3-CE2 4.46Å; W139-Y152 HydrophobicContact CZ3-CG 4.21Å
140R84.8Confident84.9Confident86 Ų8670.7 Ų70.733%0.32537%0.366SS..Hα-helixtrans-63-38.9173.3-175.3-179.5177.9-174.61.1112.7A136 Q137 P144 A149 E153 Y154A136-R140 PolarHBondContact O-N 3.22Å; A136-R140 VanDerWaalsContact O-N 3.1Å; Q137-R140 PolarHBondContact O-N 2.81Å; R140-P144 WeakPolarHBondContact O-CA 3.4Å; R140-A149 HydrophobicContact CB-CB 4.39Å; R140-E153 WeakPolarHBondContact CD-OE2 3.37Å; R140-E153 IonicContact CZ-OE2 3.42Å; R140-E153 IonicContact NE-OE2 2.98Å; R140-E153 IonicContact NH1-OE1 2.68Å; R140-E153 IonicContact NH1-OE2 2.84Å; R140-E153 PolarHBondContact NH1-OE2 3.46Å; R140-Y154 PolarHBondContact NH1-OH 2.9Å; R140-Y154 PolarHBondContact NH2-OH 2.95Å; R140-Y154 VanDerWaalsContact NH2-OH 3.12Å
141E87.1Confident85.3Confident159 Ų15968.4 Ų68.474%0.74335%0.349SS*.Hα-helixtrans-68.3-35.2177-71.3-178.6172.300112.9Q137 S138 W139Q137-E141 WeakPolarHBondContact O-CG 3.33Å; Q137-E141 PolarHBondContact O-N 3.37Å; S138-E141 PolarHBondContact O-N 3.17Å; W139-E141 VanDerWaalsContact C-N 3.34Å; W139-E141 PolarHBondContact O-N 3.48Å
142T86.7Confident85.7Confident97 Ų9762.9 Ų62.960%0.59532%0.322SS*.Hα-helixtrans-83.7-34-176.547.90000113.2S138 W139 P144S138-T142 WeakPolarHBondContact O-CB 3.31Å; S138-T142 VanDerWaalsContact O-CG2 3.3Å; S138-T142 WeakPolarHBondContact O-CG2 3.33Å; S138-T142 PolarHBondContact O-N 2.8Å; S138-T142 PolarHBondContact O-OG1 2.71Å; W139-T142 WeakPolarHBondContact CA-OG1 3.05Å; W139-T142 PolarHBondContact O-N 2.84Å; W139-T142 PolarHBondContact O-OG1 2.94Å; W139-T142 VanDerWaalsContact O-OG1 3.08Å; T142-P144 VanDerWaalsContact C-CD 3.5Å
143E85.2Confident86Confident71 Ų7163 Ų6333%0.33232%0.323SS..  trans-125.368179.4-63.5179.9-166.900110.9R116 W139 D145 N146R116-E143 IonicContact NH1-OE1 2.55Å; R116-E143 PolarHBondContact NH1-OE1 3.01Å; R116-E143 VanDerWaalsContact NH1-OE1 3.13Å; R116-E143 IonicContact NH1-OE2 3.16Å; W139-E143 PolarHBondContact NE1-OE2 3.34Å; W139-E143 PolarHBondContact O-N 3.15Å; E143-D145 PolarHBondContact O-N 3.1Å; E143-N146 HydrophobicContact CB-CB 3.88Å; E143-N146 WeakPolarHBondContact O-CB 3.47Å; E143-N146 PolarHBondContact O-N 2.88Å; E143-N146 VanDerWaalsContact O-N 3.09Å; E143-N146 PolarHBondContact OE2-ND2 3.24Å
144P78.4Confident86.4Confident95 Ų9561.8 Ų61.862%0.61732%0.315SS*.THydrogen-bonded Turntrans-66.9-23.4-176.327-35.6000113.8R140 T142 N146R140-P144 WeakPolarHBondContact O-CA 3.4Å; T142-P144 VanDerWaalsContact C-CD 3.5Å; P144-N146 VanDerWaalsContact C-N 3.26Å; P144-N146 PolarHBondContact O-N 3.47Å
145D80.6Confident86.7Confident161 Ų16155.6 Ų55.686%0.86128%0.282SS*.THydrogen-bonded Turntrans-79.9-6.1176.7-61.9-33.8000112.7E143 E147E143-D145 PolarHBondContact O-N 3.1Å; D145-E147 PolarHBondContact O-N 3.42Å
146N83.9Confident86.8Confident47 Ų4753.2 Ų53.225%0.25127%0.273SS..  trans-86.8111.3-178.1-169.9-15.1000110.7E143 P144 D148 A149 P150E143-N146 HydrophobicContact CB-CB 3.88Å; E143-N146 WeakPolarHBondContact O-CB 3.47Å; E143-N146 PolarHBondContact O-N 2.88Å; E143-N146 VanDerWaalsContact O-N 3.09Å; E143-N146 PolarHBondContact OE2-ND2 3.24Å; P144-N146 VanDerWaalsContact C-N 3.26Å; P144-N146 PolarHBondContact O-N 3.47Å; N146-D148 PolarHBondContact O-N 3.42Å; N146-D148 WeakPolarHBondContact OD1-CB 3.23Å; N146-D148 PolarHBondContact OD1-N 2.93Å; N146-D148 VanDerWaalsContact OD1-N 3.16Å; N146-A149 HydrophobicContact CB-CB 4.32Å; N146-A149 PolarHBondContact O-N 3.47Å; N146-P150 WeakPolarHBondContact O-CD 3.45Å
147E80.3Confident87.1Confident147 Ų14754 Ų5469%0.68728%0.276SS*.THydrogen-bonded Turntrans-60.9-26.2-178.5-63.3-178.817500113.5D145 P150D145-E147 PolarHBondContact O-N 3.42Å; E147-P150 WeakPolarHBondContact O-CD 3.36Å; E147-P150 WeakPolarHBondContact O-CG 3.35Å
148D84.9Confident87.3Confident46 Ų4650.4 Ų50.425%0.24626%0.259CS..Hα-helixtrans-71.4-37.1178.1-85.8-4.1000112.6R120 W139 N146 Y151 Y152R120-D148 IonicContact CZ-OD2 2.82Å; R120-D148 IonicContact NH2-OD2 2.75Å; R120-D148 PolarHBondContact NH2-OD2 3.29Å; W139-D148 HydrophobicContact CH2-CB 4.21Å; W139-D148 HydrophobicContact CZ2-CB 4.46Å; N146-D148 PolarHBondContact O-N 3.42Å; N146-D148 WeakPolarHBondContact OD1-CB 3.23Å; N146-D148 PolarHBondContact OD1-N 2.93Å; N146-D148 VanDerWaalsContact OD1-N 3.16Å; D148-Y151 WeakPolarHBondContact O-CB 3.35Å; D148-Y151 PolarHBondContact O-N 2.88Å; D148-Y152 HydrophobicContact CB-CD2 4.1Å; D148-Y152 HydrophobicContact CB-CE2 3.78Å; D148-Y152 WeakPolarHBondContact O-CD2 3.35Å; D148-Y152 PolarHBondContact O-N 3.32Å; D148-Y152 VanDerWaalsContact O-N 3.13Å
149A85.9Confident87.5Confident0 Ų049 Ų490%025%0.246CC..Hα-helixtrans-58.9-48.9-17200000113.6W139 R140 N146 Y151 Y152 E153W139-A149 HydrophobicContact CD2-CB 4.1Å; W139-A149 HydrophobicContact CG-CB 4.26Å; R140-A149 HydrophobicContact CB-CB 4.39Å; N146-A149 HydrophobicContact CB-CB 4.32Å; N146-A149 PolarHBondContact O-N 3.47Å; A149-Y151 VanDerWaalsContact C-N 3.32Å; A149-Y151 PolarHBondContact O-N 3.09Å; A149-Y152 PolarHBondContact O-N 2.93Å; A149-E153 PolarHBondContact O-N 2.92Å
150P87.8Confident87.5Confident15 Ų1551.2 Ų51.210%0.09726%0.262CS..Hα-helixtrans-64.7-35.6176.925.3-33.6000112.3N146 E147 E153 Y154 Y173N146-P150 WeakPolarHBondContact O-CD 3.45Å; E147-P150 WeakPolarHBondContact O-CD 3.36Å; E147-P150 WeakPolarHBondContact O-CG 3.35Å; P150-E153 PolarHBondContact O-N 3.27Å; P150-Y154 HydrophobicContact CB-CD2 4.41Å; P150-Y154 HydrophobicContact CB-CE2 4.19Å; P150-Y154 WeakPolarHBondContact O-CD2 3.3Å; P150-Y154 PolarHBondContact O-N 2.88Å; P150-Y173 HydrophobicContact CB-CD2 4.47Å; P150-Y173 HydrophobicContact CB-CE2 4.12Å; P150-Y173 HydrophobicContact CG-CE2 4.27Å
151Y91Very high87.5Confident18 Ų1848.7 Ų48.77%0.07126%0.263CS..Hα-helixtrans-59.5-51.3177.4170.4-107.2000111.5D148 A149 E153 Y154 A155 Y173 Q181 L185D148-Y151 WeakPolarHBondContact O-CB 3.35Å; D148-Y151 PolarHBondContact O-N 2.88Å; A149-Y151 VanDerWaalsContact C-N 3.32Å; A149-Y151 PolarHBondContact O-N 3.09Å; Y151-E153 VanDerWaalsContact C-N 3.35Å; Y151-E153 PolarHBondContact O-N 3.11Å; Y151-Y154 PolarHBondContact O-N 3.36Å; Y151-A155 HydrophobicContact CE2-CB 4.5Å; Y151-A155 WeakPolarHBondContact O-CB 3.39Å; Y151-A155 PolarHBondContact O-N 3.16Å; Y151-Y173 WeakPolarHBondContact CB-OH 3.41Å; Y151-Q181 HydrophobicContact CD2-CB 3.81Å; Y151-Q181 HydrophobicContact CD2-CG 4.46Å; Y151-Q181 HydrophobicContact CE1-CG 4.43Å; Y151-Q181 HydrophobicContact CE2-CB 3.47Å; Y151-Q181 VanDerWaalsContact CE2-CB 3.47Å; Y151-Q181 HydrophobicContact CE2-CG 3.93Å; Y151-L185 HydrophobicContact CD2-CD1 3.71Å; Y151-L185 HydrophobicContact CD2-CG 4.33Å; Y151-L185 HydrophobicContact CE2-CD1 3.72Å; Y151-L185 HydrophobicContact CE2-CD2 4.14Å; Y151-L185 HydrophobicContact CE2-CG 3.83Å
152Y90.9Very high87.7Confident23 Ų2343.6 Ų43.69%0.0924%0.239CC..Hα-helixtrans-69.1-31.5-176.9-68-63.3000113L119 R120 W139 D148 A149 Q156L119-Y152 HydrophobicContact CB-CD1 4.36Å; L119-Y152 HydrophobicContact CB-CG 4.3Å; R120-Y152 HydrophobicContact CB-CE1 4.23Å; R120-Y152 HydrophobicContact CG-CE1 3.72Å; R120-Y152 HydrophobicContact CG-CE2 3.87Å; R120-Y152 WeakPolarHBondContact CG-OH 3.39Å; W139-Y152 AromaticContact CH2-CD2 3.8Å; W139-Y152 HydrophobicContact CH2-CD2 3.8Å; W139-Y152 HydrophobicContact CH2-CE2 4.27Å; W139-Y152 AromaticContact CZ3-CD2 3.6Å; W139-Y152 HydrophobicContact CZ3-CD2 3.6Å; W139-Y152 HydrophobicContact CZ3-CE2 4.46Å; W139-Y152 HydrophobicContact CZ3-CG 4.21Å; D148-Y152 HydrophobicContact CB-CD2 4.1Å; D148-Y152 HydrophobicContact CB-CE2 3.78Å; D148-Y152 WeakPolarHBondContact O-CD2 3.35Å; D148-Y152 PolarHBondContact O-N 3.32Å; D148-Y152 VanDerWaalsContact O-N 3.13Å; A149-Y152 PolarHBondContact O-N 2.93Å; Y152-Q156 WeakPolarHBondContact O-CG 3.32Å; Y152-Q156 PolarHBondContact O-N 2.94Å; Y152-Q156 VanDerWaalsContact O-N 3.16Å
153E91Very high87.8Confident9 Ų939.9 Ų39.94%0.04222%0.22CC..Hα-helixtrans-62.2-55170.8-171.3-150.9139.600110.8A136 Q137 R140 A149 P150 Y151 A155 Q156 R157A136-E153 HydrophobicContact CB-CB 4.26Å; A136-E153 HydrophobicContact CB-CG 4.47Å; Q137-E153 HydrophobicContact CG-CG 4.06Å; R140-E153 WeakPolarHBondContact CD-OE2 3.37Å; R140-E153 IonicContact CZ-OE2 3.42Å; R140-E153 IonicContact NE-OE2 2.98Å; R140-E153 IonicContact NH1-OE1 2.68Å; R140-E153 IonicContact NH1-OE2 2.84Å; R140-E153 PolarHBondContact NH1-OE2 3.46Å; A149-E153 PolarHBondContact O-N 2.92Å; P150-E153 PolarHBondContact O-N 3.27Å; Y151-E153 VanDerWaalsContact C-N 3.35Å; Y151-E153 PolarHBondContact O-N 3.11Å; E153-A155 VanDerWaalsContact C-N 3.31Å; E153-A155 PolarHBondContact O-N 3.47Å; E153-Q156 PolarHBondContact O-N 3.19Å; E153-R157 WeakPolarHBondContact O-CG 3.4Å; E153-R157 PolarHBondContact O-N 3.2Å; E153-R157 WeakPolarHBondContact OE1-CD 3.26Å; E153-R157 IonicContact OE1-CZ 3Å; E153-R157 IonicContact OE1-NH1 3.11Å; E153-R157 PolarHBondContact OE1-NH1 3.15Å
154Y93.2Very high88Confident12 Ų1241.2 Ų41.25%0.04723%0.226CC..Hα-helixtrans-64.3-37.3-179.1-68.4-50.7000112.1R140 P150 Y151 Q156 R157 V158 L166 E169 Y173R140-Y154 PolarHBondContact NH1-OH 2.9Å; R140-Y154 PolarHBondContact NH2-OH 2.95Å; R140-Y154 VanDerWaalsContact NH2-OH 3.12Å; P150-Y154 HydrophobicContact CB-CD2 4.41Å; P150-Y154 HydrophobicContact CB-CE2 4.19Å; P150-Y154 WeakPolarHBondContact O-CD2 3.3Å; P150-Y154 PolarHBondContact O-N 2.88Å; Y151-Y154 PolarHBondContact O-N 3.36Å; Y154-Q156 PolarHBondContact O-N 3.04Å; Y154-R157 PolarHBondContact O-N 3.41Å; Y154-V158 WeakPolarHBondContact O-CB 3.15Å; Y154-V158 VanDerWaalsContact O-CG2 3.29Å; Y154-V158 WeakPolarHBondContact O-CG2 3.4Å; Y154-V158 PolarHBondContact O-N 3.17Å; Y154-L166 HydrophobicContact CD1-CD1 3.72Å; Y154-L166 HydrophobicContact CE1-CD1 4.1Å; Y154-E169 HydrophobicContact CE1-CB 3.97Å; Y154-Y173 AromaticContact CD2-CD1 3.84Å; Y154-Y173 HydrophobicContact CD2-CD1 3.84Å; Y154-Y173 AromaticContact CD2-CD2 3.82Å; Y154-Y173 HydrophobicContact CD2-CD2 3.82Å; Y154-Y173 HydrophobicContact CD2-CE1 4.28Å; Y154-Y173 HydrophobicContact CD2-CE2 4.27Å; Y154-Y173 AromaticContact CD2-CG 3.59Å; Y154-Y173 HydrophobicContact CD2-CG 3.59Å; Y154-Y173 HydrophobicContact CE2-CD1 4.27Å; Y154-Y173 AromaticContact CE2-CD2 3.6Å; Y154-Y173 HydrophobicContact CE2-CD2 3.6Å; Y154-Y173 HydrophobicContact CE2-CE2 4.37Å; Y154-Y173 AromaticContact CE2-CG 3.54Å; Y154-Y173 HydrophobicContact CE2-CG 3.54Å
155A91.6Very high88.6Confident0 Ų040.5 Ų40.50%022%0.223CC..Hα-helixtrans-57-49.2175.600000111.5Y151 E153 V158 Y159 L185Y151-A155 HydrophobicContact CE2-CB 4.5Å; Y151-A155 WeakPolarHBondContact O-CB 3.39Å; Y151-A155 PolarHBondContact O-N 3.16Å; E153-A155 VanDerWaalsContact C-N 3.31Å; E153-A155 PolarHBondContact O-N 3.47Å; A155-V158 PolarHBondContact O-N 3.45Å; A155-Y159 HydrophobicContact CB-CD2 4.34Å; A155-Y159 HydrophobicContact CB-CE2 3.88Å; A155-Y159 WeakPolarHBondContact O-CD2 3.38Å; A155-Y159 VanDerWaalsContact O-CG 3.26Å; A155-Y159 PolarHBondContact O-N 2.85Å; A155-L185 HydrophobicContact CB-CD1 4.28Å; A155-L185 HydrophobicContact CB-CD2 3.74Å
156Q90.8Very high89.2Confident0 Ų032.8 Ų32.80%018%0.182CC..Hα-helixtrans-66.6-38.9177.7-69.5-56.4-46.700112.5L119 S123 L127 L133 Y152 E153 Y154 V158 Y159 C160L119-Q156 HydrophobicContact CD2-CG 3.68Å; S123-Q156 PolarHBondContact OG-NE2 3.37Å; S123-Q156 VanDerWaalsContact OG-NE2 3.09Å; L127-Q156 PolarHBondContact O-NE2 3.27Å; L133-Q156 HydrophobicContact CD1-CB 4.1Å; Y152-Q156 WeakPolarHBondContact O-CG 3.32Å; Y152-Q156 PolarHBondContact O-N 2.94Å; Y152-Q156 VanDerWaalsContact O-N 3.16Å; E153-Q156 PolarHBondContact O-N 3.19Å; Y154-Q156 PolarHBondContact O-N 3.04Å; Q156-V158 VanDerWaalsContact C-N 3.33Å; Q156-V158 PolarHBondContact O-N 3.04Å; Q156-Y159 PolarHBondContact O-N 3.39Å; Q156-C160 WeakPolarHBondContact O-CB 3.23Å; Q156-C160 PolarHBondContact O-N 3.37Å; Q156-C160 PolarHBondContact O-SG 2.92Å
157R93.2Very high89.5Confident17 Ų1730.7 Ų30.76%0.06417%0.171CC..Hα-helixtrans-61-40.9174.2-67.2172.667.5-172.4-5.9112.3L133 E153 Y154 G161 E162 L166 E169L133-R157 HydrophobicContact CD1-CG 3.76Å; E153-R157 WeakPolarHBondContact O-CG 3.4Å; E153-R157 PolarHBondContact O-N 3.2Å; E153-R157 WeakPolarHBondContact OE1-CD 3.26Å; E153-R157 IonicContact OE1-CZ 3Å; E153-R157 IonicContact OE1-NH1 3.11Å; E153-R157 PolarHBondContact OE1-NH1 3.15Å; Y154-R157 PolarHBondContact O-N 3.41Å; R157-G161 PolarHBondContact O-N 3.11Å; R157-E162 HydrophobicContact CB-CB 4.43Å; R157-E162 IonicContact CZ-OE1 2.69Å; R157-E162 IonicContact CZ-OE2 2.79Å; R157-E162 IonicContact NE-OE1 3.38Å; R157-E162 IonicContact NE-OE2 3.92Å; R157-E162 PolarHBondContact NE-OE2 2.96Å; R157-E162 IonicContact NH2-OE1 3.15Å; R157-E162 PolarHBondContact NH2-OE1 2.99Å; R157-E162 IonicContact NH2-OE2 3.68Å; R157-E162 PolarHBondContact NH2-OE2 3.45Å; R157-E162 VanDerWaalsContact O-CB 3.29Å; R157-E162 WeakPolarHBondContact O-CB 3.42Å; R157-E162 PolarHBondContact O-N 3.44Å; R157-L166 HydrophobicContact CB-CD1 4.4Å; R157-L166 HydrophobicContact CB-CD2 3.84Å; R157-E169 IonicContact CZ-OE1 3.81Å; R157-E169 IonicContact CZ-OE2 3.39Å; R157-E169 IonicContact NH1-OE1 3.21Å; R157-E169 IonicContact NH1-OE2 3.79Å; R157-E169 PolarHBondContact NH1-OE2 3.26Å; R157-E169 IonicContact NH2-OE1 2.67Å; R157-E169 PolarHBondContact NH2-OE1 2.68Å; R157-E169 IonicContact NH2-OE2 3.27Å; R157-E169 PolarHBondContact NH2-OE2 2.78Å
158V92.7Very high90Very high0 Ų025.9 Ų25.90%016%0.156CC..Hα-helixtrans-65.8-48.4174.4172.30000111.2Y154 A155 Q156 C160 G161 L166 L170 L185 Q188 W189 Q192Y154-V158 WeakPolarHBondContact O-CB 3.15Å; Y154-V158 VanDerWaalsContact O-CG2 3.29Å; Y154-V158 WeakPolarHBondContact O-CG2 3.4Å; Y154-V158 PolarHBondContact O-N 3.17Å; A155-V158 PolarHBondContact O-N 3.45Å; Q156-V158 VanDerWaalsContact C-N 3.33Å; Q156-V158 PolarHBondContact O-N 3.04Å; V158-C160 VanDerWaalsContact C-N 3.34Å; V158-C160 PolarHBondContact O-N 3.5Å; V158-G161 WeakPolarHBondContact O-CA 3.36Å; V158-G161 PolarHBondContact O-N 3.42Å; V158-L166 HydrophobicContact CG2-CD2 3.67Å; V158-L170 HydrophobicContact CG2-CD1 4.3Å; V158-L170 HydrophobicContact CG2-CD2 4.12Å; V158-L185 HydrophobicContact CG2-CB 4.49Å; V158-Q188 HydrophobicContact CG1-CB 3.99Å; V158-Q188 HydrophobicContact CG1-CG 3.8Å; V158-W189 HydrophobicContact CG1-CB 4Å; V158-W189 HydrophobicContact CG2-CB 4.17Å; V158-Q192 PolarHBondContact O-NE2 2.99Å; V158-Q192 PolarHBondContact O-OE1 3.08Å
159Y89.8Confident90.3Very high20 Ų2027 Ų278%0.07816%0.16CC..Hα-helixtrans-68.4-33.3-178.1-60.3-45.9000112.7S123 R126 A155 Q156 G161 Q188S123-Y159 PolarHBondContact O-OH 3.21Å; R126-Y159 HydrophobicContact CB-CD1 4.22Å; R126-Y159 HydrophobicContact CB-CE1 3.63Å; R126-Y159 HydrophobicContact CG-CE1 4.04Å; A155-Y159 HydrophobicContact CB-CD2 4.34Å; A155-Y159 HydrophobicContact CB-CE2 3.88Å; A155-Y159 WeakPolarHBondContact O-CD2 3.38Å; A155-Y159 VanDerWaalsContact O-CG 3.26Å; A155-Y159 PolarHBondContact O-N 2.85Å; Q156-Y159 PolarHBondContact O-N 3.39Å; Y159-G161 PolarHBondContact O-N 3.45Å; Y159-Q188 HydrophobicContact CD1-CG 4.11Å; Y159-Q188 HydrophobicContact CE1-CG 3.84Å
160C87.6Confident90.6Very high53 Ų5327 Ų2736%0.35816%0.16SC..THydrogen-bonded Turntrans-66.7-7.4169-71.30000113.5Q156 V158Q156-C160 WeakPolarHBondContact O-CB 3.23Å; Q156-C160 PolarHBondContact O-N 3.37Å; Q156-C160 PolarHBondContact O-SG 2.92Å; V158-C160 VanDerWaalsContact C-N 3.34Å; V158-C160 PolarHBondContact O-N 3.5Å
161G85.6Confident90.7Very high33 Ų3326.3 Ų26.334%0.3416%0.156SC..THydrogen-bonded Turntrans7731176.300000114.3R157 V158 Y159 G163 H193R157-G161 PolarHBondContact O-N 3.11Å; V158-G161 WeakPolarHBondContact O-CA 3.36Å; V158-G161 PolarHBondContact O-N 3.42Å; Y159-G161 PolarHBondContact O-N 3.45Å; G161-G163 PolarHBondContact O-N 3.33Å; G161-H193 PolarHBondContact O-CE1 3.3Å
162E90.2Very high90.6Very high52 Ų5228.8 Ų28.824%0.24317%0.17CC..  trans-63.2116.5172.3-169-178.3157.200110.2R157 S165 L166 W189 H193R157-E162 HydrophobicContact CB-CB 4.43Å; R157-E162 IonicContact CZ-OE1 2.69Å; R157-E162 IonicContact CZ-OE2 2.79Å; R157-E162 IonicContact NE-OE1 3.38Å; R157-E162 IonicContact NE-OE2 3.92Å; R157-E162 PolarHBondContact NE-OE2 2.96Å; R157-E162 IonicContact NH2-OE1 3.15Å; R157-E162 PolarHBondContact NH2-OE1 2.99Å; R157-E162 IonicContact NH2-OE2 3.68Å; R157-E162 PolarHBondContact NH2-OE2 3.45Å; R157-E162 VanDerWaalsContact O-CB 3.29Å; R157-E162 WeakPolarHBondContact O-CB 3.42Å; R157-E162 PolarHBondContact O-N 3.44Å; E162-S165 WeakPolarHBondContact CG-OG 3.38Å; E162-S165 PolarHBondContact OE1-OG 3.48Å; E162-L166 HydrophobicContact CB-CB 4.3Å; E162-L166 HydrophobicContact CB-CD2 4.23Å; E162-L166 HydrophobicContact CG-CB 3.97Å; E162-W189 PolarHBondContact O-NE1 3.35Å; E162-H193 PolarHBondContact O-NE2 3.35Å
163G89.6Confident90.6Very high19 Ų1928.3 Ų28.320%0.19617%0.168CC..  trans-78.5-131.8-173.200000114.5G161 S165 L166 W189G161-G163 PolarHBondContact O-N 3.33Å; G163-S165 PolarHBondContact O-N 3.49Å; G163-S165 VanDerWaalsContact O-N 3.09Å; G163-L166 PolarHBondContact O-N 2.82Å; G163-L166 VanDerWaalsContact O-N 3.15Å; G163-W189 WeakPolarHBondContact O-CZ2 3.49Å; G163-W189 PolarHBondContact O-NE1 3.36Å
164E88.9Confident90.4Very high98 Ų9828.7 Ų28.746%0.45817%0.169SC..Hα-helixtrans-61.8-20.7-168.6-67.5-7515100115L166 L167 R194E164-L166 VanDerWaalsContact C-N 3.26Å; E164-L166 PolarHBondContact O-N 3.39Å; E164-L167 PolarHBondContact O-N 3.05Å; E164-R194 VanDerWaalsContact CD-NH2 3.3Å; E164-R194 IonicContact OE1-CZ 3.66Å; E164-R194 IonicContact OE1-NE 2.94Å; E164-R194 PolarHBondContact OE1-NE 3.07Å; E164-R194 IonicContact OE1-NH2 3.63Å; E164-R194 PolarHBondContact OE1-NH2 3.06Å; E164-R194 VanDerWaalsContact OE1-NH2 3.07Å; E164-R194 IonicContact OE2-CZ 3.73Å; E164-R194 IonicContact OE2-NE 2.64Å; E164-R194 IonicContact OE2-NH2 3.56Å; E164-R194 PolarHBondContact OE2-NH2 2.99Å
165S90.3Very high89.9Confident80 Ų8033.8 Ų33.856%0.55919%0.188SC*.Hα-helixtrans-62-35.917651.40000112.4E162 G163E162-S165 WeakPolarHBondContact CG-OG 3.38Å; E162-S165 PolarHBondContact OE1-OG 3.48Å; G163-S165 PolarHBondContact O-N 3.49Å; G163-S165 VanDerWaalsContact O-N 3.09Å
166L93.1Very high89.4Confident0 Ų040.5 Ų40.50%022%0.22CC..Hα-helixtrans-78.8-22-178176.760.5000112.7Y154 R157 V158 E162 G163 E164 A168 E169 L170Y154-L166 HydrophobicContact CD1-CD1 3.72Å; Y154-L166 HydrophobicContact CE1-CD1 4.1Å; R157-L166 HydrophobicContact CB-CD1 4.4Å; R157-L166 HydrophobicContact CB-CD2 3.84Å; V158-L166 HydrophobicContact CG2-CD2 3.67Å; E162-L166 HydrophobicContact CB-CB 4.3Å; E162-L166 HydrophobicContact CB-CD2 4.23Å; E162-L166 HydrophobicContact CG-CB 3.97Å; G163-L166 PolarHBondContact O-N 2.82Å; G163-L166 VanDerWaalsContact O-N 3.15Å; E164-L166 VanDerWaalsContact C-N 3.26Å; E164-L166 PolarHBondContact O-N 3.39Å; L166-A168 VanDerWaalsContact C-N 3.32Å; L166-A168 PolarHBondContact O-N 2.64Å; L166-E169 HydrophobicContact CD1-CB 4.33Å; L166-E169 PolarHBondContact O-N 3.28Å; L166-E169 VanDerWaalsContact O-N 3.15Å; L166-L170 HydrophobicContact CD1-CB 4.46Å; L166-L170 HydrophobicContact CG-CB 4.24Å; L166-L170 WeakPolarHBondContact O-CB 3.16Å; L166-L170 PolarHBondContact O-N 2.89Å
167L92.1Very high89Confident3 Ų345.7 Ų45.72%0.01624%0.24CC..Hα-helixtrans-58-41.6-167.6-177.157.5000113.4E164 C171 W189 L287E164-L167 PolarHBondContact O-N 3.05Å; L167-C171 WeakPolarHBondContact O-CB 3.47Å; L167-C171 PolarHBondContact O-N 2.93Å; L167-C171 PolarHBondContact O-SG 3.19Å; L167-W189 HydrophobicContact CB-CH2 3.93Å; L167-W189 HydrophobicContact CB-CZ2 3.86Å; L167-W189 HydrophobicContact CD1-CD2 4.32Å; L167-W189 HydrophobicContact CD1-CE3 3.76Å; L167-W189 HydrophobicContact CD1-CH2 3.55Å; L167-W189 HydrophobicContact CD1-CZ2 4.07Å; L167-W189 HydrophobicContact CD1-CZ3 3.36Å; L167-W189 HydrophobicContact CD2-CH2 3.78Å; L167-W189 HydrophobicContact CD2-CZ3 4.19Å; L167-W189 HydrophobicContact CG-CH2 3.94Å; L167-W189 HydrophobicContact CG-CZ2 4.37Å; L167-W189 HydrophobicContact CG-CZ3 4.24Å; L167-L287 HydrophobicContact CD1-CB 4.05Å; L167-L287 HydrophobicContact CD2-CB 4.28Å
168A89.1Confident88.3Confident45 Ų4548 Ų4837%0.37226%0.257SS..Hα-helixtrans-65.2-49.1179.300000111.1L166 L170 C171 D172 P286L166-A168 VanDerWaalsContact C-N 3.32Å; L166-A168 PolarHBondContact O-N 2.64Å; A168-L170 VanDerWaalsContact C-N 3.34Å; A168-L170 PolarHBondContact O-N 3.23Å; A168-C171 PolarHBondContact O-N 3.13Å; A168-D172 VanDerWaalsContact O-CG 3.32Å; A168-D172 PolarHBondContact O-N 2.93Å; A168-P286 HydrophobicContact CB-CG 4.11Å
169E92.3Very high87.8Confident70 Ų7049.8 Ų49.833%0.32727%0.269SS..Hα-helixtrans-61.4-41.9178-63.1178.3-11800111.8Y154 R157 L166 D172 Y173Y154-E169 HydrophobicContact CE1-CB 3.97Å; R157-E169 IonicContact CZ-OE1 3.81Å; R157-E169 IonicContact CZ-OE2 3.39Å; R157-E169 IonicContact NH1-OE1 3.21Å; R157-E169 IonicContact NH1-OE2 3.79Å; R157-E169 PolarHBondContact NH1-OE2 3.26Å; R157-E169 IonicContact NH2-OE1 2.67Å; R157-E169 PolarHBondContact NH2-OE1 2.68Å; R157-E169 IonicContact NH2-OE2 3.27Å; R157-E169 PolarHBondContact NH2-OE2 2.78Å; L166-E169 HydrophobicContact CD1-CB 4.33Å; L166-E169 PolarHBondContact O-N 3.28Å; L166-E169 VanDerWaalsContact O-N 3.15Å; E169-D172 PolarHBondContact O-N 3.03Å; E169-Y173 WeakPolarHBondContact O-CB 3.32Å; E169-Y173 PolarHBondContact O-N 3.32Å
170L92.6Very high87.5Confident1 Ų152.4 Ų52.41%0.00529%0.288CS..Hα-helixtrans-68.4-39179.6-167.668.9000111.9V158 L166 A168 W174 L185 M186 W189V158-L170 HydrophobicContact CG2-CD1 4.3Å; V158-L170 HydrophobicContact CG2-CD2 4.12Å; L166-L170 HydrophobicContact CD1-CB 4.46Å; L166-L170 HydrophobicContact CG-CB 4.24Å; L166-L170 WeakPolarHBondContact O-CB 3.16Å; L166-L170 PolarHBondContact O-N 2.89Å; A168-L170 VanDerWaalsContact C-N 3.34Å; A168-L170 PolarHBondContact O-N 3.23Å; L170-W174 WeakPolarHBondContact O-CB 3.48Å; L170-W174 PolarHBondContact O-N 2.72Å; L170-L185 HydrophobicContact CD1-CB 4.14Å; L170-L185 HydrophobicContact CD1-CD1 4.48Å; L170-M186 HydrophobicContact CB-SD 4.36Å; L170-M186 HydrophobicContact CD2-CG 4.4Å; L170-M186 HydrophobicContact CD2-SD 3.67Å; L170-M186 HydrophobicContact CG-CG 4.32Å; L170-M186 HydrophobicContact CG-SD 3.61Å; L170-W189 HydrophobicContact CD2-CB 3.73Å; L170-W189 HydrophobicContact CD2-CG 3.87Å
171C90.1Very high87.4Confident0 Ų053.3 Ų53.30%029%0.287CS..Hα-helixtrans-65.7-38.9173.8-72.90000111.9L167 A168 R175 P286L167-C171 WeakPolarHBondContact O-CB 3.47Å; L167-C171 PolarHBondContact O-N 2.93Å; L167-C171 PolarHBondContact O-SG 3.19Å; A168-C171 PolarHBondContact O-N 3.13Å; C171-R175 VanDerWaalsContact O-CG 3.31Å; C171-R175 WeakPolarHBondContact O-CG 3.33Å; C171-R175 PolarHBondContact O-N 3.47Å; C171-R175 VanDerWaalsContact O-N 3.1Å; C171-P286 HydrophobicContact CB-CB 3.99Å
172D88.2Confident87.6Confident70 Ų7051.8 Ų51.837%0.37427%0.271SS..Hα-helixtrans-70.1-42.5177.4-69.6-21.5000110.7A168 E169 W174 R175 E176A168-D172 VanDerWaalsContact O-CG 3.32Å; A168-D172 PolarHBondContact O-N 2.93Å; E169-D172 PolarHBondContact O-N 3.03Å; D172-W174 PolarHBondContact O-N 3.48Å; D172-R175 WeakPolarHBondContact O-CB 3.49Å; D172-R175 PolarHBondContact O-N 3.29Å; D172-R175 VanDerWaalsContact O-N 3.11Å; D172-R175 IonicContact OD1-CZ 3.59Å; D172-R175 IonicContact OD1-NH1 3.54Å; D172-R175 PolarHBondContact OD1-NH1 3.21Å; D172-R175 IonicContact OD1-NH2 3.59Å; D172-E176 WeakPolarHBondContact O-CG 3.3Å; D172-E176 PolarHBondContact O-N 3.23Å
173Y89.9Confident87.6Confident13 Ų1349.3 Ų49.35%0.05126%0.259CS..Hα-helixtrans-57.1-47.1171.9174-110.6000112.1P150 Y151 Y154 E169 R175 E176 Y177 A182 L185P150-Y173 HydrophobicContact CB-CD2 4.47Å; P150-Y173 HydrophobicContact CB-CE2 4.12Å; P150-Y173 HydrophobicContact CG-CE2 4.27Å; Y151-Y173 WeakPolarHBondContact CB-OH 3.41Å; Y154-Y173 AromaticContact CD2-CD1 3.84Å; Y154-Y173 HydrophobicContact CD2-CD1 3.84Å; Y154-Y173 AromaticContact CD2-CD2 3.82Å; Y154-Y173 HydrophobicContact CD2-CD2 3.82Å; Y154-Y173 HydrophobicContact CD2-CE1 4.28Å; Y154-Y173 HydrophobicContact CD2-CE2 4.27Å; Y154-Y173 AromaticContact CD2-CG 3.59Å; Y154-Y173 HydrophobicContact CD2-CG 3.59Å; Y154-Y173 HydrophobicContact CE2-CD1 4.27Å; Y154-Y173 AromaticContact CE2-CD2 3.6Å; Y154-Y173 HydrophobicContact CE2-CD2 3.6Å; Y154-Y173 HydrophobicContact CE2-CE2 4.37Å; Y154-Y173 AromaticContact CE2-CG 3.54Å; Y154-Y173 HydrophobicContact CE2-CG 3.54Å; E169-Y173 WeakPolarHBondContact O-CB 3.32Å; E169-Y173 PolarHBondContact O-N 3.32Å; Y173-R175 VanDerWaalsContact C-N 3.27Å; Y173-R175 PolarHBondContact O-N 3.02Å; Y173-E176 PolarHBondContact O-N 3.36Å; Y173-Y177 AromaticContact CD2-CD2 3.86Å; Y173-Y177 HydrophobicContact CD2-CD2 3.86Å; Y173-Y177 AromaticContact CE2-CD2 3.87Å; Y173-Y177 HydrophobicContact CE2-CD2 3.87Å; Y173-Y177 HydrophobicContact CE2-CG 4.17Å; Y173-Y177 PolarHBondContact O-N 3Å; Y173-A182 HydrophobicContact CD1-CB 4.31Å; Y173-A182 HydrophobicContact CE1-CB 3.78Å; Y173-L185 HydrophobicContact CE1-CD1 4.43Å
174W88.3Confident87.6Confident17 Ų1749.9 Ų49.96%0.06426%0.262CS..Hα-helixtrans-63.5-32.4177.5-172.493.1000112.5L170 D172 P178 D183 M186 M204 I205 L290L170-W174 WeakPolarHBondContact O-CB 3.48Å; L170-W174 PolarHBondContact O-N 2.72Å; D172-W174 PolarHBondContact O-N 3.48Å; W174-P178 WeakPolarHBondContact O-CA 3.4Å; W174-D183 PolarHBondContact NE1-OD1 2.83Å; W174-M186 HydrophobicContact CB-CG 4.04Å; W174-M186 HydrophobicContact CB-SD 4.43Å; W174-M186 HydrophobicContact CG-CG 3.96Å; W174-M204 HydrophobicContact CH2-SD 3.5Å; W174-M204 WeakPolarHBondContact CH2-SD 3.29Å; W174-M204 HydrophobicContact CZ2-SD 3.73Å; W174-M204 HydrophobicContact CZ3-SD 4.09Å; W174-I205 HydrophobicContact CZ2-CG1 4.28Å; W174-L290 HydrophobicContact CD2-CD2 4.29Å; W174-L290 HydrophobicContact CE3-CD1 3.95Å; W174-L290 HydrophobicContact CE3-CD2 3.74Å; W174-L290 HydrophobicContact CE3-CG 4.26Å; W174-L290 HydrophobicContact CZ3-CD1 3.91Å; W174-L290 HydrophobicContact CZ3-CD2 4.15Å; W174-L290 HydrophobicContact CZ3-CG 4.23Å
175R81.2Confident87.8Confident119 Ų11945.2 Ų45.245%0.44924%0.24SC..Hα-helixtrans-71.8-39.3174.8-74.6178.5-153.1144.112.6112.6C171 D172 Y173 L290C171-R175 VanDerWaalsContact O-CG 3.31Å; C171-R175 WeakPolarHBondContact O-CG 3.33Å; C171-R175 PolarHBondContact O-N 3.47Å; C171-R175 VanDerWaalsContact O-N 3.1Å; D172-R175 WeakPolarHBondContact O-CB 3.49Å; D172-R175 PolarHBondContact O-N 3.29Å; D172-R175 VanDerWaalsContact O-N 3.11Å; D172-R175 IonicContact OD1-CZ 3.59Å; D172-R175 IonicContact OD1-NH1 3.54Å; D172-R175 PolarHBondContact OD1-NH1 3.21Å; D172-R175 IonicContact OD1-NH2 3.59Å; Y173-R175 VanDerWaalsContact C-N 3.27Å; Y173-R175 PolarHBondContact O-N 3.02Å; R175-L290 HydrophobicContact CG-CD1 3.68Å
176E81.4Confident87.9Confident140 Ų14041.5 Ų41.565%0.65421%0.214SC*.Hα-helixtrans-75.7-40.8-179.2-71.4-179.2174.400111.8D172 Y173D172-E176 WeakPolarHBondContact O-CG 3.3Å; D172-E176 PolarHBondContact O-N 3.23Å; Y173-E176 PolarHBondContact O-N 3.36Å
177Y82.3Confident87.9Confident110 Ų11042 Ų4243%0.43122%0.217SC..SBendtrans-129.968.6-175.4-57.8-85000111.7Y173 S179 A182Y173-Y177 AromaticContact CD2-CD2 3.86Å; Y173-Y177 HydrophobicContact CD2-CD2 3.86Å; Y173-Y177 AromaticContact CE2-CD2 3.87Å; Y173-Y177 HydrophobicContact CE2-CD2 3.87Å; Y173-Y177 HydrophobicContact CE2-CG 4.17Å; Y173-Y177 PolarHBondContact O-N 3Å; Y177-S179 PolarHBondContact O-N 3.34Å; Y177-A182 WeakPolarHBondContact O-CB 3.31Å
178P79.3Confident87.8Confident66 Ų6643.7 Ų43.743%0.42923%0.225SC..  trans-68.2108.8176.927.8-33.2000110.4W174W174-P178 WeakPolarHBondContact O-CA 3.4Å
179S82.9Confident88.1Confident36 Ų3641.7 Ų41.725%0.25221%0.207SC..  trans-139163.8179.1680000111.2Y177 Q181 A182 D183Y177-S179 PolarHBondContact O-N 3.34Å; S179-Q181 PolarHBondContact O-N 3.36Å; S179-A182 PolarHBondContact O-N 3.42Å; S179-A182 VanDerWaalsContact O-N 3.09Å; S179-A182 PolarHBondContact OG-N 3.15Å; S179-D183 PolarHBondContact O-N 2.93Å
180T83.4Confident88.1Confident75 Ų7538.3 Ų38.346%0.4619%0.192SC..Hα-helixtrans-58.2-30.5172.951.30000112.4D183 A184T180-D183 WeakPolarHBondContact O-CB 3.5Å; T180-A184 PolarHBondContact O-N 2.98Å; T180-A184 VanDerWaalsContact O-N 3.13Å
181Q85.6Confident88Confident73 Ų7340.8 Ų40.834%0.34120%0.201SC..Hα-helixtrans-67.9-48.1172.3-82.1-178-10.100112Y151 S179 D183 A184 L185Y151-Q181 HydrophobicContact CD2-CB 3.81Å; Y151-Q181 HydrophobicContact CD2-CG 4.46Å; Y151-Q181 HydrophobicContact CE1-CG 4.43Å; Y151-Q181 HydrophobicContact CE2-CB 3.47Å; Y151-Q181 VanDerWaalsContact CE2-CB 3.47Å; Y151-Q181 HydrophobicContact CE2-CG 3.93Å; S179-Q181 PolarHBondContact O-N 3.36Å; Q181-D183 VanDerWaalsContact C-N 3.29Å; Q181-D183 PolarHBondContact O-N 3.4Å; Q181-A184 WeakPolarHBondContact O-CB 3.31Å; Q181-A184 PolarHBondContact O-N 3.39Å; Q181-L185 WeakPolarHBondContact O-CG 3.44Å; Q181-L185 PolarHBondContact O-N 2.97Å; Q181-L185 VanDerWaalsContact O-N 3.13Å
182A89Confident88Confident1 Ų143.3 Ų43.31%0.00821%0.213CC..Hα-helixtrans-63-36.4175.900000112Y173 Y177 S179 L185 M186Y173-A182 HydrophobicContact CD1-CB 4.31Å; Y173-A182 HydrophobicContact CE1-CB 3.78Å; Y177-A182 WeakPolarHBondContact O-CB 3.31Å; S179-A182 PolarHBondContact O-N 3.42Å; S179-A182 VanDerWaalsContact O-N 3.09Å; S179-A182 PolarHBondContact OG-N 3.15Å; A182-L185 PolarHBondContact O-N 2.84Å; A182-M186 WeakPolarHBondContact O-CG 3.36Å; A182-M186 PolarHBondContact O-N 2.83Å
183D90.5Very high88.2Confident0 Ų043.4 Ų43.40%021%0.211CC..Hα-helixtrans-59-47173.2-63.7-19.1000111.4W174 S179 T180 Q181 L185 M186 L187 I205 R208 R227W174-D183 PolarHBondContact NE1-OD1 2.83Å; S179-D183 PolarHBondContact O-N 2.93Å; T180-D183 WeakPolarHBondContact O-CB 3.5Å; Q181-D183 VanDerWaalsContact C-N 3.29Å; Q181-D183 PolarHBondContact O-N 3.4Å; D183-L185 VanDerWaalsContact C-N 3.3Å; D183-L185 PolarHBondContact O-N 3.26Å; D183-M186 PolarHBondContact O-N 3.05Å; D183-L187 WeakPolarHBondContact O-CB 3.41Å; D183-L187 VanDerWaalsContact O-CG 3.25Å; D183-L187 WeakPolarHBondContact O-CG 3.39Å; D183-L187 PolarHBondContact O-N 3.49Å; D183-I205 HydrophobicContact CB-CD1 3.92Å; D183-I205 HydrophobicContact CB-CG1 4.38Å; D183-I205 HydrophobicContact CB-CG2 3.9Å; D183-I205 VanDerWaalsContact OD2-CG2 3.25Å; D183-I205 WeakPolarHBondContact OD2-CG2 3.47Å; D183-R208 IonicContact OD1-CZ 3.43Å; D183-R208 IonicContact OD1-NH1 3.39Å; D183-R208 PolarHBondContact OD1-NH1 3.11Å; D183-R208 IonicContact OD1-NH2 2.86Å; D183-R208 IonicContact OD2-CZ 3.88Å; D183-R208 IonicContact OD2-NH1 2.74Å; D183-R208 PolarHBondContact OD2-NH1 3.37Å; D183-R208 IonicContact OD2-NH2 3.63Å; D183-R208 PolarHBondContact OD2-NH2 2.83Å; D183-R227 IonicContact OD2-NH2 3.86Å; D183-R227 PolarHBondContact OD2-NH2 3.5Å
184A89.2Confident88.2Confident31 Ų3145.5 Ų45.526%0.25622%0.219SC..Hα-helixtrans-61-40.4179.100000111.5T180 Q181 Q188T180-A184 PolarHBondContact O-N 2.98Å; T180-A184 VanDerWaalsContact O-N 3.13Å; Q181-A184 WeakPolarHBondContact O-CB 3.31Å; Q181-A184 PolarHBondContact O-N 3.39Å; A184-Q188 WeakPolarHBondContact O-CB 3.31Å; A184-Q188 PolarHBondContact O-N 2.85Å
185L91.9Very high88.4Confident0 Ų045.2 Ų45.20%022%0.219CC..Hα-helixtrans-65.6-46.5175.9-63.3-172.2000112.3Y151 A155 V158 L170 Y173 Q181 A182 D183 L187 Q188 W189Y151-L185 HydrophobicContact CD2-CD1 3.71Å; Y151-L185 HydrophobicContact CD2-CG 4.33Å; Y151-L185 HydrophobicContact CE2-CD1 3.72Å; Y151-L185 HydrophobicContact CE2-CD2 4.14Å; Y151-L185 HydrophobicContact CE2-CG 3.83Å; A155-L185 HydrophobicContact CB-CD1 4.28Å; A155-L185 HydrophobicContact CB-CD2 3.74Å; V158-L185 HydrophobicContact CG2-CB 4.49Å; L170-L185 HydrophobicContact CD1-CB 4.14Å; L170-L185 HydrophobicContact CD1-CD1 4.48Å; Y173-L185 HydrophobicContact CE1-CD1 4.43Å; Q181-L185 WeakPolarHBondContact O-CG 3.44Å; Q181-L185 PolarHBondContact O-N 2.97Å; Q181-L185 VanDerWaalsContact O-N 3.13Å; A182-L185 PolarHBondContact O-N 2.84Å; D183-L185 VanDerWaalsContact C-N 3.3Å; D183-L185 PolarHBondContact O-N 3.26Å; L185-L187 PolarHBondContact O-N 3.1Å; L185-Q188 PolarHBondContact O-N 3.44Å; L185-W189 WeakPolarHBondContact O-CB 3.33Å; L185-W189 PolarHBondContact O-N 3.41Å
186M92.9Very high88.7Confident2 Ų242.6 Ų42.61%0.0121%0.214CC..Hα-helixtrans-60.6-46.4177.4-78.5-70.5-7400111.4L170 W174 A182 D183 C190 L201 L287 L290L170-M186 HydrophobicContact CB-SD 4.36Å; L170-M186 HydrophobicContact CD2-CG 4.4Å; L170-M186 HydrophobicContact CD2-SD 3.67Å; L170-M186 HydrophobicContact CG-CG 4.32Å; L170-M186 HydrophobicContact CG-SD 3.61Å; W174-M186 HydrophobicContact CB-CG 4.04Å; W174-M186 HydrophobicContact CB-SD 4.43Å; W174-M186 HydrophobicContact CG-CG 3.96Å; A182-M186 WeakPolarHBondContact O-CG 3.36Å; A182-M186 PolarHBondContact O-N 2.83Å; D183-M186 PolarHBondContact O-N 3.05Å; M186-C190 WeakPolarHBondContact O-CB 3.34Å; M186-C190 PolarHBondContact O-N 3.25Å; M186-L201 HydrophobicContact CB-CD1 4.45Å; M186-L201 HydrophobicContact CB-CD2 4.11Å; M186-L201 HydrophobicContact CE-CD1 4.07Å; M186-L201 WeakPolarHBondContact O-CD2 3.32Å; M186-L287 HydrophobicContact CE-CD1 3.53Å; M186-L290 HydrophobicContact CE-CD2 3.84Å
187L92.8Very high89Confident9 Ų938.7 Ų38.75%0.04719%0.193CC..Hα-helixtrans-62.6-45.2177.1-72.4171.5000111.3D183 L185 C190 R191 Y198 L201 V202 I205D183-L187 WeakPolarHBondContact O-CB 3.41Å; D183-L187 VanDerWaalsContact O-CG 3.25Å; D183-L187 WeakPolarHBondContact O-CG 3.39Å; D183-L187 PolarHBondContact O-N 3.49Å; L185-L187 PolarHBondContact O-N 3.1Å; L187-C190 PolarHBondContact O-N 3.49Å; L187-R191 WeakPolarHBondContact O-CB 3.37Å; L187-R191 PolarHBondContact O-N 3.41Å; L187-Y198 HydrophobicContact CB-CE2 3.89Å; L187-Y198 HydrophobicContact CD2-CD2 4.23Å; L187-Y198 HydrophobicContact CD2-CE2 3.84Å; L187-Y198 HydrophobicContact CG-CE2 4.46Å; L187-Y198 WeakPolarHBondContact O-CD2 3.04Å; L187-Y198 VanDerWaalsContact O-CE2 3.28Å; L187-Y198 WeakPolarHBondContact O-CE2 3.44Å; L187-L201 HydrophobicContact CD2-CB 4.47Å; L187-L201 HydrophobicContact CD2-CD2 4.09Å; L187-L201 HydrophobicContact CD2-CG 3.97Å; L187-V202 HydrophobicContact CD2-CB 4.49Å; L187-V202 HydrophobicContact CD2-CG2 3.5Å; L187-V202 VanDerWaalsContact CD2-CG2 3.5Å; L187-I205 HydrophobicContact CD1-CD1 4.04Å; L187-I205 HydrophobicContact CD2-CD1 3.94Å; L187-I205 HydrophobicContact CG-CD1 3.69Å
188Q91.7Very high89.5Confident40 Ų4033.8 Ų33.819%0.18717%0.174CC..Hα-helixtrans-62.6-48.7178.9-175.370.711.400111.8V158 Y159 A184 L185 C190 R191 Q192V158-Q188 HydrophobicContact CG1-CB 3.99Å; V158-Q188 HydrophobicContact CG1-CG 3.8Å; Y159-Q188 HydrophobicContact CD1-CG 4.11Å; Y159-Q188 HydrophobicContact CE1-CG 3.84Å; A184-Q188 WeakPolarHBondContact O-CB 3.31Å; A184-Q188 PolarHBondContact O-N 2.85Å; L185-Q188 PolarHBondContact O-N 3.44Å; Q188-C190 VanDerWaalsContact C-N 3.33Å; Q188-C190 PolarHBondContact O-N 3.15Å; Q188-R191 PolarHBondContact O-N 3.32Å; Q188-Q192 WeakPolarHBondContact O-CG 3.47Å; Q188-Q192 PolarHBondContact O-N 3.04Å
189W94.5Very high89.9Confident2 Ų230.8 Ų30.81%0.00815%0.154CC..Hα-helixtrans-61-44177.9-173.891.9000111.3V158 E162 G163 L167 L170 L185 R191 Q192 H193 R194 L287V158-W189 HydrophobicContact CG1-CB 4Å; V158-W189 HydrophobicContact CG2-CB 4.17Å; E162-W189 PolarHBondContact O-NE1 3.35Å; G163-W189 WeakPolarHBondContact O-CZ2 3.49Å; G163-W189 PolarHBondContact O-NE1 3.36Å; L167-W189 HydrophobicContact CB-CH2 3.93Å; L167-W189 HydrophobicContact CB-CZ2 3.86Å; L167-W189 HydrophobicContact CD1-CD2 4.32Å; L167-W189 HydrophobicContact CD1-CE3 3.76Å; L167-W189 HydrophobicContact CD1-CH2 3.55Å; L167-W189 HydrophobicContact CD1-CZ2 4.07Å; L167-W189 HydrophobicContact CD1-CZ3 3.36Å; L167-W189 HydrophobicContact CD2-CH2 3.78Å; L167-W189 HydrophobicContact CD2-CZ3 4.19Å; L167-W189 HydrophobicContact CG-CH2 3.94Å; L167-W189 HydrophobicContact CG-CZ2 4.37Å; L167-W189 HydrophobicContact CG-CZ3 4.24Å; L170-W189 HydrophobicContact CD2-CB 3.73Å; L170-W189 HydrophobicContact CD2-CG 3.87Å; L185-W189 WeakPolarHBondContact O-CB 3.33Å; L185-W189 PolarHBondContact O-N 3.41Å; W189-R191 VanDerWaalsContact C-N 3.34Å; W189-R191 PolarHBondContact O-N 2.93Å; W189-Q192 PolarHBondContact O-N 3.35Å; W189-Q192 VanDerWaalsContact O-N 3.12Å; W189-H193 AromaticContact CD1-CD2 3.68Å; W189-H193 HydrophobicContact CD2-CB 4.48Å; W189-H193 AromaticContact CD2-CD2 3.94Å; W189-H193 AromaticContact CE2-CD2 3.55Å; W189-H193 HydrophobicContact CE3-CB 4.48Å; W189-H193 HydrophobicContact CH2-CB 3.91Å; W189-H193 HydrophobicContact CZ2-CB 3.93Å; W189-H193 HydrophobicContact CZ3-CB 4.2Å; W189-H193 AromaticContact NE1-CD2 3.42Å; W189-H193 PolarHBondContact NE1-CD2 3.17Å; W189-H193 AromaticContact NE1-NE2 3.98Å; W189-H193 PolarHBondContact O-CD2 2.95Å; W189-H193 PolarHBondContact O-N 2.91Å; W189-R194 HydrophobicContact CH2-CG 4.2Å; W189-R194 HydrophobicContact CZ3-CB 4.26Å; W189-R194 HydrophobicContact CZ3-CG 4.03Å; W189-L287 HydrophobicContact CZ3-CD2 4.49Å
190C93.4Very high90Very high0 Ų031.3 Ų31.30%015%0.154CC..Hα-helixtrans-62.3-41.2177.5-168.90000111.6M186 L187 Q188 Q192 R194 V195 Y198 L201M186-C190 WeakPolarHBondContact O-CB 3.34Å; M186-C190 PolarHBondContact O-N 3.25Å; L187-C190 PolarHBondContact O-N 3.49Å; Q188-C190 VanDerWaalsContact C-N 3.33Å; Q188-C190 PolarHBondContact O-N 3.15Å; C190-Q192 VanDerWaalsContact C-N 3.28Å; C190-Q192 PolarHBondContact O-N 3.19Å; C190-R194 CarbonylContact O-C 3.53Å; C190-R194 WeakPolarHBondContact O-CA 3.47Å; C190-R194 PolarHBondContact O-N 2.78Å; C190-R194 PolarHBondContact SG-O 3.13Å; C190-V195 PolarHBondContact O-N 3.25Å; C190-V195 VanDerWaalsContact O-N 3.14Å; C190-Y198 HydrophobicContact CB-CD2 4.39Å; C190-Y198 PolarHBondContact SG-N 2.93Å; C190-Y198 VanDerWaalsContact SG-N 3.4Å; C190-L201 HydrophobicContact CB-CD2 3.47Å; C190-L201 VanDerWaalsContact CB-CD2 3.47Å
191R90.4Very high90.3Very high52 Ų5227.8 Ų27.820%0.19613%0.132CC..Hα-helixtrans-62.6-32.8174.2-174.3175.5-179.4115.327.8112.6L187 Q188 W189 V195 Y198 E234 I235 D238L187-R191 WeakPolarHBondContact O-CB 3.37Å; L187-R191 PolarHBondContact O-N 3.41Å; Q188-R191 PolarHBondContact O-N 3.32Å; W189-R191 VanDerWaalsContact C-N 3.34Å; W189-R191 PolarHBondContact O-N 2.93Å; R191-V195 VanDerWaalsContact O-CG2 3.22Å; R191-V195 WeakPolarHBondContact O-CG2 3.31Å; R191-Y198 HydrophobicContact CB-CD2 3.91Å; R191-Y198 HydrophobicContact CB-CE2 3.92Å; R191-E234 IonicContact CZ-OE1 3.84Å; R191-E234 VanDerWaalsContact NH1-CD 3.33Å; R191-E234 PolarHBondContact NH1-O 3.43Å; R191-E234 IonicContact NH1-OE1 2.99Å; R191-E234 PolarHBondContact NH1-OE1 2.67Å; R191-E234 PolarHBondContact NH2-O 3.16Å; R191-I235 HydrophobicContact CG-CD1 3.96Å; R191-D238 IonicContact CZ-OD2 3.14Å; R191-D238 IonicContact NE-OD2 3.61Å; R191-D238 IonicContact NH2-OD2 2.73Å; R191-D238 PolarHBondContact NH2-OD2 3.49Å
192Q89.9Confident90.4Very high54 Ų5424.5 Ų24.525%0.25212%0.117SC..Hα-helixtrans-78-44179.4-71.7169.5-17.700112.4V158 Q188 W189 C190V158-Q192 PolarHBondContact O-NE2 2.99Å; V158-Q192 PolarHBondContact O-OE1 3.08Å; Q188-Q192 WeakPolarHBondContact O-CG 3.47Å; Q188-Q192 PolarHBondContact O-N 3.04Å; W189-Q192 PolarHBondContact O-N 3.35Å; W189-Q192 VanDerWaalsContact O-N 3.12Å; C190-Q192 VanDerWaalsContact C-N 3.28Å; C190-Q192 PolarHBondContact O-N 3.19Å
193H91.7Very high90Very high71 Ų7125.1 Ų25.133%0.32912%0.12SC..Hα-helixtrans-114.2-27.1-165.5-60.3-67.2000115.1G161 E162 W189G161-H193 PolarHBondContact O-CE1 3.3Å; E162-H193 PolarHBondContact O-NE2 3.35Å; W189-H193 AromaticContact CD1-CD2 3.68Å; W189-H193 HydrophobicContact CD2-CB 4.48Å; W189-H193 AromaticContact CD2-CD2 3.94Å; W189-H193 AromaticContact CE2-CD2 3.55Å; W189-H193 HydrophobicContact CE3-CB 4.48Å; W189-H193 HydrophobicContact CH2-CB 3.91Å; W189-H193 HydrophobicContact CZ2-CB 3.93Å; W189-H193 HydrophobicContact CZ3-CB 4.2Å; W189-H193 AromaticContact NE1-CD2 3.42Å; W189-H193 PolarHBondContact NE1-CD2 3.17Å; W189-H193 AromaticContact NE1-NE2 3.98Å; W189-H193 PolarHBondContact O-CD2 2.95Å; W189-H193 PolarHBondContact O-N 2.91Å
194R90.6Very high89.6Confident58 Ų5825.1 Ų25.122%0.21912%0.12CC..  trans-142.756.1-171.5-73.5-160.3179.5-136.57.9113.3E164 W189 C190 D196 Y197 C285E164-R194 VanDerWaalsContact CD-NH2 3.3Å; E164-R194 IonicContact OE1-CZ 3.66Å; E164-R194 IonicContact OE1-NE 2.94Å; E164-R194 PolarHBondContact OE1-NE 3.07Å; E164-R194 IonicContact OE1-NH2 3.63Å; E164-R194 PolarHBondContact OE1-NH2 3.06Å; E164-R194 VanDerWaalsContact OE1-NH2 3.07Å; E164-R194 IonicContact OE2-CZ 3.73Å; E164-R194 IonicContact OE2-NE 2.64Å; E164-R194 IonicContact OE2-NH2 3.56Å; E164-R194 PolarHBondContact OE2-NH2 2.99Å; W189-R194 HydrophobicContact CH2-CG 4.2Å; W189-R194 HydrophobicContact CZ3-CB 4.26Å; W189-R194 HydrophobicContact CZ3-CG 4.03Å; C190-R194 CarbonylContact O-C 3.53Å; C190-R194 WeakPolarHBondContact O-CA 3.47Å; C190-R194 PolarHBondContact O-N 2.78Å; C190-R194 PolarHBondContact SG-O 3.13Å; R194-D196 VanDerWaalsContact C-N 3.26Å; R194-D196 PolarHBondContact O-N 2.95Å; R194-D196 VanDerWaalsContact O-N 3.08Å; R194-Y197 HydrophobicContact CB-CD2 3.93Å; R194-Y197 HydrophobicContact CG-CD2 4.49Å; R194-Y197 PolarHBondContact O-N 2.96Å; R194-C285 PolarHBondContact NH1-SG 3.27Å; R194-C285 VanDerWaalsContact NH1-SG 3.38Å
195V90.9Very high89.3Confident10 Ų1023.8 Ų23.86%0.06111%0.109CC..G310 helixtrans-51.6-37.8-171.9-176.80000114.6C190 R191 Y197 Y198 I235 D238 K240 L241C190-V195 PolarHBondContact O-N 3.25Å; C190-V195 VanDerWaalsContact O-N 3.14Å; R191-V195 VanDerWaalsContact O-CG2 3.22Å; R191-V195 WeakPolarHBondContact O-CG2 3.31Å; V195-Y197 PolarHBondContact O-N 3.02Å; V195-Y198 WeakPolarHBondContact O-CB 3.37Å; V195-Y198 PolarHBondContact O-N 3.46Å; V195-I235 HydrophobicContact CG1-CD1 3.99Å; V195-I235 HydrophobicContact CG1-CG1 4.05Å; V195-D238 HydrophobicContact CG1-CB 4.48Å; V195-K240 HydrophobicContact CB-CB 4.01Å; V195-K240 HydrophobicContact CG1-CB 4.19Å; V195-K240 HydrophobicContact CG2-CB 3.61Å; V195-K240 HydrophobicContact CG2-CD 3.88Å; V195-K240 HydrophobicContact CG2-CG 4.43Å; V195-L241 HydrophobicContact CG1-CB 4Å; V195-L241 HydrophobicContact CG1-CD1 4.07Å
196D88Confident88.5Confident65 Ų6525.1 Ų25.135%0.34812%0.115SC..G310 helixtrans-63.8-23.9179.3-73.1-40.4000114.2R194 Y198 S242R194-D196 VanDerWaalsContact C-N 3.26Å; R194-D196 PolarHBondContact O-N 2.95Å; R194-D196 VanDerWaalsContact O-N 3.08Å; D196-Y198 VanDerWaalsContact C-N 3.34Å; D196-S242 VanDerWaalsContact CG-OG 3.23Å; D196-S242 WeakPolarHBondContact OD1-CA 3.43Å; D196-S242 WeakPolarHBondContact OD1-CB 3.47Å; D196-S242 PolarHBondContact OD1-N 2.89Å; D196-S242 PolarHBondContact OD1-OG 3.22Å
197Y89Confident87.2Confident58 Ų5825.1 Ų25.123%0.22712%0.115CC..G310 helixtrans-86.2-9.8175.6-65.8-90.7000112.3R194 V195 L200 L201 L287 E288 I291R194-Y197 HydrophobicContact CB-CD2 3.93Å; R194-Y197 HydrophobicContact CG-CD2 4.49Å; R194-Y197 PolarHBondContact O-N 2.96Å; V195-Y197 PolarHBondContact O-N 3.02Å; Y197-L200 HydrophobicContact CD1-CD1 4.26Å; Y197-L200 WeakPolarHBondContact O-CB 3.47Å; Y197-L200 PolarHBondContact O-N 2.9Å; Y197-L201 VanDerWaalsContact O-CB 3.31Å; Y197-L201 WeakPolarHBondContact O-CB 3.37Å; Y197-L201 PolarHBondContact O-N 3.22Å; Y197-L287 HydrophobicContact CG-CD2 4.28Å; Y197-E288 HydrophobicContact CD1-CG 4.44Å; Y197-E288 HydrophobicContact CE1-CG 3.54Å; Y197-E288 PolarHBondContact OH-OE1 2.68Å; Y197-I291 HydrophobicContact CD1-CD1 4.05Å
198Y91.5Very high86.1Confident7 Ų726.5 Ų26.53%0.02712%0.12CC..Hα-helixtrans-58.9-47.5-176.7-172-83.7000112.5L187 C190 R191 V195 D196 L200 L201 V202 H231 I235L187-Y198 HydrophobicContact CB-CE2 3.89Å; L187-Y198 HydrophobicContact CD2-CD2 4.23Å; L187-Y198 HydrophobicContact CD2-CE2 3.84Å; L187-Y198 HydrophobicContact CG-CE2 4.46Å; L187-Y198 WeakPolarHBondContact O-CD2 3.04Å; L187-Y198 VanDerWaalsContact O-CE2 3.28Å; L187-Y198 WeakPolarHBondContact O-CE2 3.44Å; C190-Y198 HydrophobicContact CB-CD2 4.39Å; C190-Y198 PolarHBondContact SG-N 2.93Å; C190-Y198 VanDerWaalsContact SG-N 3.4Å; R191-Y198 HydrophobicContact CB-CD2 3.91Å; R191-Y198 HydrophobicContact CB-CE2 3.92Å; V195-Y198 WeakPolarHBondContact O-CB 3.37Å; V195-Y198 PolarHBondContact O-N 3.46Å; D196-Y198 VanDerWaalsContact C-N 3.34Å; Y198-L200 VanDerWaalsContact C-N 3.3Å; Y198-L200 PolarHBondContact O-N 3.39Å; Y198-L201 PolarHBondContact O-N 2.74Å; Y198-V202 HydrophobicContact CD1-CG2 3.9Å; Y198-V202 HydrophobicContact CE1-CG2 3.63Å; Y198-V202 WeakPolarHBondContact O-CG2 3.37Å; Y198-V202 PolarHBondContact O-N 3.35Å; Y198-H231 HydrophobicContact CE1-CB 4.09Å; Y198-H231 PolarHBondContact OH-ND1 2.9Å; Y198-H231 VanDerWaalsContact OH-ND1 3.14Å; Y198-I235 HydrophobicContact CD1-CB 3.75Å; Y198-I235 HydrophobicContact CD1-CD1 4.04Å; Y198-I235 HydrophobicContact CD1-CG1 3.71Å; Y198-I235 HydrophobicContact CD1-CG2 3.92Å; Y198-I235 HydrophobicContact CD2-CD1 4.35Å; Y198-I235 HydrophobicContact CE1-CB 3.93Å; Y198-I235 HydrophobicContact CE1-CD1 4.35Å; Y198-I235 HydrophobicContact CE1-CG1 4.26Å; Y198-I235 HydrophobicContact CE1-CG2 4.31Å; Y198-I235 HydrophobicContact CG-CD1 4.04Å; Y198-I235 HydrophobicContact CG-CG1 4.01Å
199P88Confident84.6Confident2 Ų228 Ų281%0.01313%0.129CC..Hα-helixtrans-61-40176.8-21.734.3000112.4V202 M203 L232 I235 L241 L248 V249P199-V202 PolarHBondContact O-N 2.96Å; P199-M203 WeakPolarHBondContact O-CG 3.41Å; P199-M203 PolarHBondContact O-N 3.28Å; P199-M203 VanDerWaalsContact O-N 3.1Å; P199-L232 HydrophobicContact CB-CD2 3.81Å; P199-L232 HydrophobicContact CG-CD2 4.45Å; P199-I235 HydrophobicContact CG-CG2 4.46Å; P199-L241 HydrophobicContact CG-CD1 4.31Å; P199-L248 HydrophobicContact CB-CD2 4.1Å; P199-V249 HydrophobicContact CB-CG2 3.95Å; P199-V249 HydrophobicContact CG-CG2 3.47Å; P199-V249 VanDerWaalsContact CG-CG2 3.47Å
200L86.1Confident82.7Confident48 Ų4830.1 Ų30.125%0.25114%0.141SC..Hα-helixtrans-66.3-38.6177.8-62174.3000112Y197 Y198 M203 M204 L248 I291Y197-L200 HydrophobicContact CD1-CD1 4.26Å; Y197-L200 WeakPolarHBondContact O-CB 3.47Å; Y197-L200 PolarHBondContact O-N 2.9Å; Y198-L200 VanDerWaalsContact C-N 3.3Å; Y198-L200 PolarHBondContact O-N 3.39Å; L200-M203 HydrophobicContact CD2-CE 3.58Å; L200-M203 HydrophobicContact CG-CE 4.48Å; L200-M203 PolarHBondContact O-N 3.08Å; L200-M204 WeakPolarHBondContact O-CB 3.14Å; L200-M204 PolarHBondContact O-N 3.25Å; L200-L248 HydrophobicContact CD2-CD2 3.77Å; L200-L248 HydrophobicContact CG-CD2 4.23Å; L200-I291 HydrophobicContact CB-CD1 4.1Å; L200-I291 HydrophobicContact CB-CG2 3.97Å
201L88.4Confident80.7Confident0 Ų033.1 Ų33.10%016%0.159CC..Hα-helixtrans-68.2-42.7177.5179.958.7000111.6M186 L187 C190 Y197 Y198 M203 M204 I205 L287M186-L201 HydrophobicContact CB-CD1 4.45Å; M186-L201 HydrophobicContact CB-CD2 4.11Å; M186-L201 HydrophobicContact CE-CD1 4.07Å; M186-L201 WeakPolarHBondContact O-CD2 3.32Å; L187-L201 HydrophobicContact CD2-CB 4.47Å; L187-L201 HydrophobicContact CD2-CD2 4.09Å; L187-L201 HydrophobicContact CD2-CG 3.97Å; C190-L201 HydrophobicContact CB-CD2 3.47Å; C190-L201 VanDerWaalsContact CB-CD2 3.47Å; Y197-L201 VanDerWaalsContact O-CB 3.31Å; Y197-L201 WeakPolarHBondContact O-CB 3.37Å; Y197-L201 PolarHBondContact O-N 3.22Å; Y198-L201 PolarHBondContact O-N 2.74Å; L201-M203 VanDerWaalsContact C-N 3.29Å; L201-M203 PolarHBondContact O-N 2.99Å; L201-M204 HydrophobicContact CD1-CE 3.21Å; L201-M204 HydrophobicContact CD1-SD 4.21Å; L201-M204 PolarHBondContact O-N 3.46Å; L201-I205 HydrophobicContact CD1-CD1 3.98Å; L201-I205 HydrophobicContact CD1-CG1 4.28Å; L201-I205 HydrophobicContact CG-CD1 3.94Å; L201-I205 WeakPolarHBondContact O-CG1 3.49Å; L201-I205 PolarHBondContact O-N 3.12Å; L201-L287 HydrophobicContact CD1-CD1 4.17Å
202V87.8Confident78.8Confident4 Ų432.4 Ų32.42%0.02416%0.159CC..Hα-helixtrans-57-45.6172.5173.20000110.3L187 Y198 P199 M204 I205 E206 T228 H231L187-V202 HydrophobicContact CD2-CB 4.49Å; L187-V202 HydrophobicContact CD2-CG2 3.5Å; L187-V202 VanDerWaalsContact CD2-CG2 3.5Å; Y198-V202 HydrophobicContact CD1-CG2 3.9Å; Y198-V202 HydrophobicContact CE1-CG2 3.63Å; Y198-V202 WeakPolarHBondContact O-CG2 3.37Å; Y198-V202 PolarHBondContact O-N 3.35Å; P199-V202 PolarHBondContact O-N 2.96Å; V202-M204 PolarHBondContact O-N 3.04Å; V202-I205 PolarHBondContact O-N 2.99Å; V202-E206 PolarHBondContact O-N 3.45Å; V202-E206 VanDerWaalsContact O-N 3.1Å; V202-T228 HydrophobicContact CG1-CG2 3.88Å; V202-H231 HydrophobicContact CG1-CB 4.07Å; V202-H231 HydrophobicContact CG2-CB 3.73Å
203M80Confident76.4Confident15 Ų1536.9 Ų36.97%0.07419%0.185CC..Hα-helixtrans-63.3-40.7177.2-70.1-169.4-66.400112.6P199 L200 L201 A207 Y220 P222 L248 V252P199-M203 WeakPolarHBondContact O-CG 3.41Å; P199-M203 PolarHBondContact O-N 3.28Å; P199-M203 VanDerWaalsContact O-N 3.1Å; L200-M203 HydrophobicContact CD2-CE 3.58Å; L200-M203 HydrophobicContact CG-CE 4.48Å; L200-M203 PolarHBondContact O-N 3.08Å; L201-M203 VanDerWaalsContact C-N 3.29Å; L201-M203 PolarHBondContact O-N 2.99Å; M203-A207 WeakPolarHBondContact O-CB 3.31Å; M203-A207 PolarHBondContact O-N 3.24Å; M203-Y220 WeakPolarHBondContact CA-OH 3.38Å; M203-Y220 HydrophobicContact CB-CE1 3.87Å; M203-Y220 HydrophobicContact CG-CE1 4.16Å; M203-Y220 WeakPolarHBondContact CG-OH 3.35Å; M203-Y220 WeakPolarHBondContact O-CE1 3.47Å; M203-P222 HydrophobicContact CG-CB 4.32Å; M203-P222 HydrophobicContact SD-CB 3.63Å; M203-P222 HydrophobicContact SD-CG 3.84Å; M203-L248 HydrophobicContact CE-CD2 4.16Å; M203-V252 HydrophobicContact SD-CG2 4.29Å
204M82.3Confident74Confident0 Ų038 Ų380%019%0.19CC..Hα-helixtrans-67.3-35.6177.5175.4-98.1-8000113.4W174 L200 L201 V202 A207 L290 I291 R294W174-M204 HydrophobicContact CH2-SD 3.5Å; W174-M204 WeakPolarHBondContact CH2-SD 3.29Å; W174-M204 HydrophobicContact CZ2-SD 3.73Å; W174-M204 HydrophobicContact CZ3-SD 4.09Å; L200-M204 WeakPolarHBondContact O-CB 3.14Å; L200-M204 PolarHBondContact O-N 3.25Å; L201-M204 HydrophobicContact CD1-CE 3.21Å; L201-M204 HydrophobicContact CD1-SD 4.21Å; L201-M204 PolarHBondContact O-N 3.46Å; V202-M204 PolarHBondContact O-N 3.04Å; M204-A207 WeakPolarHBondContact O-CB 3.46Å; M204-L290 HydrophobicContact CE-CB 4.38Å; M204-L290 HydrophobicContact CE-CD2 3.57Å; M204-L290 HydrophobicContact CE-CG 3.73Å; M204-L290 HydrophobicContact SD-CG 4.49Å; M204-I291 HydrophobicContact CE-CG1 3.8Å; M204-R294 HydrophobicContact CG-CB 3.67Å; M204-R294 HydrophobicContact CG-CG 3.91Å
205I83.1Confident71.9Confident3 Ų337.7 Ų37.72%0.01521%0.205CC..Hα-helixtrans-70-47.8177.1-73.5163.5000110.5W174 D183 L187 L201 V202 A207 R208W174-I205 HydrophobicContact CZ2-CG1 4.28Å; D183-I205 HydrophobicContact CB-CD1 3.92Å; D183-I205 HydrophobicContact CB-CG1 4.38Å; D183-I205 HydrophobicContact CB-CG2 3.9Å; D183-I205 VanDerWaalsContact OD2-CG2 3.25Å; D183-I205 WeakPolarHBondContact OD2-CG2 3.47Å; L187-I205 HydrophobicContact CD1-CD1 4.04Å; L187-I205 HydrophobicContact CD2-CD1 3.94Å; L187-I205 HydrophobicContact CG-CD1 3.69Å; L201-I205 HydrophobicContact CD1-CD1 3.98Å; L201-I205 HydrophobicContact CD1-CG1 4.28Å; L201-I205 HydrophobicContact CG-CD1 3.94Å; L201-I205 WeakPolarHBondContact O-CG1 3.49Å; L201-I205 PolarHBondContact O-N 3.12Å; V202-I205 PolarHBondContact O-N 2.99Å; I205-A207 VanDerWaalsContact C-N 3.26Å; I205-A207 PolarHBondContact O-N 2.9Å; I205-R208 WeakPolarHBondContact O-CB 3.24Å; I205-R208 PolarHBondContact O-N 3.23Å
206E75.6Confident70Confident27 Ų2740.5 Ų40.513%0.12622%0.216CC..Hα-helixtrans-64.5-35.5179.7-162.276.3169.400111.8V202 R208 D209 L210 Y220 S225 R227V202-E206 PolarHBondContact O-N 3.45Å; V202-E206 VanDerWaalsContact O-N 3.1Å; E206-R208 PolarHBondContact O-N 3.05Å; E206-R208 VanDerWaalsContact O-N 3.1Å; E206-D209 PolarHBondContact O-N 2.95Å; E206-D209 VanDerWaalsContact O-N 3.16Å; E206-L210 HydrophobicContact CG-CD1 4.33Å; E206-L210 PolarHBondContact O-N 3.37Å; E206-Y220 HydrophobicContact CB-CD2 4.45Å; E206-Y220 HydrophobicContact CB-CE2 3.75Å; E206-Y220 HydrophobicContact CG-CD2 4.18Å; E206-Y220 HydrophobicContact CG-CE2 3.61Å; E206-S225 VanDerWaalsContact CD-OG 3.32Å; E206-S225 WeakPolarHBondContact OE1-CB 3.36Å; E206-S225 PolarHBondContact OE1-OG 3.26Å; E206-R227 IonicContact OE2-NH1 2.73Å
207A66.4Low68.1Low2 Ų238.8 Ų38.82%0.01721%0.209CC..Hα-helixtrans-57.9-16.517000000115M203 M204 I205 Y220 R294 Q298M203-A207 WeakPolarHBondContact O-CB 3.31Å; M203-A207 PolarHBondContact O-N 3.24Å; M204-A207 WeakPolarHBondContact O-CB 3.46Å; I205-A207 VanDerWaalsContact C-N 3.26Å; I205-A207 PolarHBondContact O-N 2.9Å; A207-Y220 HydrophobicContact CB-CD1 4.37Å; A207-R294 HydrophobicContact CB-CG 4.42Å; A207-R294 PolarHBondContact O-NH2 2.63Å; A207-Q298 VanDerWaalsContact CA-NE2 3.26Å; A207-Q298 HydrophobicContact CB-CG 4.03Å
208R68.6Low66.4Low38 Ų3839.6 Ų39.614%0.14322%0.217CC..Hα-helixtrans-76.3-49.7173.1-173-169.765.1-148-8.3111.3D183 I205 E206 L210D183-R208 IonicContact OD1-CZ 3.43Å; D183-R208 IonicContact OD1-NH1 3.39Å; D183-R208 PolarHBondContact OD1-NH1 3.11Å; D183-R208 IonicContact OD1-NH2 2.86Å; D183-R208 IonicContact OD2-CZ 3.88Å; D183-R208 IonicContact OD2-NH1 2.74Å; D183-R208 PolarHBondContact OD2-NH1 3.37Å; D183-R208 IonicContact OD2-NH2 3.63Å; D183-R208 PolarHBondContact OD2-NH2 2.83Å; I205-R208 WeakPolarHBondContact O-CB 3.24Å; I205-R208 PolarHBondContact O-N 3.23Å; E206-R208 PolarHBondContact O-N 3.05Å; E206-R208 VanDerWaalsContact O-N 3.1Å; R208-L210 PolarHBondContact O-N 2.95Å
209D60.1Low64.6Low72 Ų7242.3 Ų42.339%0.38523%0.231SC..Hα-helixtrans-76.2-15.3-167.4-60.1-18.8000111.9E206 V211 R227E206-D209 PolarHBondContact O-N 2.95Å; E206-D209 VanDerWaalsContact O-N 3.16Å; D209-V211 VanDerWaalsContact C-N 3.34Å; D209-V211 PolarHBondContact O-N 3.14Å; D209-R227 IonicContact OD2-NH1 3.74Å; D209-R227 PolarHBondContact OD2-NH1 2.94Å; D209-R227 VanDerWaalsContact OD2-NH1 3.14Å
210L54.6Low63.2Low47 Ų4742.9 Ų42.925%0.24623%0.233CC..  trans-84.971.4177.9-71.5168.3000111.6E206 R208 P217 L218 Y220E206-L210 HydrophobicContact CG-CD1 4.33Å; E206-L210 PolarHBondContact O-N 3.37Å; R208-L210 PolarHBondContact O-N 2.95Å; L210-P217 CarbonylContact O-C 3.6Å; L210-P217 VanDerWaalsContact O-CA 3.31Å; L210-P217 WeakPolarHBondContact O-CA 3.49Å; L210-L218 HydrophobicContact CB-CB 4.05Å; L210-L218 HydrophobicContact CD2-CB 4.42Å; L210-L218 HydrophobicContact CD2-CD1 4.38Å; L210-L218 PolarHBondContact O-N 2.77Å; L210-Y220 HydrophobicContact CD1-CD2 3.26Å; L210-Y220 HydrophobicContact CD1-CE2 4.25Å; L210-Y220 HydrophobicContact CD1-CG 3.79Å
211V52.3Low62Low63 Ų6341.4 Ų41.438%0.38223%0.226SC..BIsolated β-bridgetrans-116.5141161.8-71.20000108.8D209 K216D209-V211 VanDerWaalsContact C-N 3.34Å; D209-V211 PolarHBondContact O-N 3.14Å; V211-K216 CarbonylContact C-O 3.59Å; V211-K216 WeakPolarHBondContact CA-O 3.31Å
212N49.3Very low60.5Low36 Ų3642.6 Ų42.619%0.19323%0.234CC..  trans-74.8177.9173.573.7-0.5000110.2Q214 G215 K216 L218N212-Q214 PolarHBondContact O-N 2.82Å; N212-Q214 WeakPolarHBondContact OD1-CA 3.38Å; N212-Q214 WeakPolarHBondContact OD1-CB 3.41Å; N212-Q214 PolarHBondContact OD1-N 2.8Å; N212-G215 PolarHBondContact O-N 2.93Å; N212-G215 PolarHBondContact OD1-N 2.88Å; N212-K216 VanDerWaalsContact CG-O 3.3Å; N212-K216 PolarHBondContact N-O 3.48Å; N212-K216 WeakPolarHBondContact OD1-CA 3.37Å; N212-K216 WeakPolarHBondContact OD1-CB 3.37Å; N212-K216 PolarHBondContact OD1-N 2.87Å; N212-K216 PolarHBondContact OD1-O 3.41Å; N212-K216 VanDerWaalsContact OD1-O 3.06Å; N212-L218 HydrophobicContact CB-CD1 4.39Å; N212-L218 HydrophobicContact CB-CD2 3.76Å; N212-L218 HydrophobicContact CB-CG 3.9Å
213D40.9Very low59.4Low149 Ų14942.4 Ų42.480%0.79723%0.233SC*.THydrogen-bonded Turntrans-59.9-11.5-179.3-57.7-21.8000114.5
214Q41.3Very low58.5Low94 Ų9445.2 Ų45.244%0.43925%0.248SC..THydrogen-bonded Turntrans-94.71.8175.1-58.2177.3-5.900113.1N212 K216 L499N212-Q214 PolarHBondContact O-N 2.82Å; N212-Q214 WeakPolarHBondContact OD1-CA 3.38Å; N212-Q214 WeakPolarHBondContact OD1-CB 3.41Å; N212-Q214 PolarHBondContact OD1-N 2.8Å; Q214-K216 PolarHBondContact O-N 2.99Å; Q214-L499 HydrophobicContact CG-CD2 4.34Å
215G46.8Very low57.8Low52 Ų5246.3 Ų46.354%0.53626%0.256SS..SBendtrans71.49.7-169.500000113.3N212N212-G215 PolarHBondContact O-N 2.93Å; N212-G215 PolarHBondContact OD1-N 2.88Å
216K49Very low57.1Low68 Ų6849.3 Ų49.330%0.29628%0.281SS..PPolyproline II helixtrans-86.5128.4177.1-162.7159.7173.8-173.80108.5V211 N212 Q214 L218 E304 K305V211-K216 CarbonylContact C-O 3.59Å; V211-K216 WeakPolarHBondContact CA-O 3.31Å; N212-K216 VanDerWaalsContact CG-O 3.3Å; N212-K216 PolarHBondContact N-O 3.48Å; N212-K216 WeakPolarHBondContact OD1-CA 3.37Å; N212-K216 WeakPolarHBondContact OD1-CB 3.37Å; N212-K216 PolarHBondContact OD1-N 2.87Å; N212-K216 PolarHBondContact OD1-O 3.41Å; N212-K216 VanDerWaalsContact OD1-O 3.06Å; Q214-K216 PolarHBondContact O-N 2.99Å; K216-L218 PolarHBondContact O-N 3.22Å; K216-E304 IonicContact NZ-OE2 2.96Å; K216-E304 PolarHBondContact NZ-OE2 2.93Å; K216-K305 HydrophobicContact CD-CD 4.35Å
217P49.7Very low57Low30 Ų3051.9 Ų51.920%0.19529%0.29CS..BIsolated β-bridgetrans-54130.5-17915-29.2000112.5L210 N301L210-P217 CarbonylContact O-C 3.6Å; L210-P217 VanDerWaalsContact O-CA 3.31Å; L210-P217 WeakPolarHBondContact O-CA 3.49Å; P217-N301 HydrophobicContact CB-CB 4.46Å; P217-N301 VanDerWaalsContact CB-ND2 3.28Å; P217-N301 WeakPolarHBondContact CB-ND2 3.26Å; P217-N301 HydrophobicContact CG-CB 4.12Å; P217-N301 WeakPolarHBondContact CG-ND2 3.46Å; P217-N301 VanDerWaalsContact CG-OD1 3.3Å; P217-N301 WeakPolarHBondContact CG-OD1 3.47Å
218L53.2Low57.5Low74 Ų7451.8 Ų51.839%0.38729%0.289SS..PPolyproline II helixtrans-78.5154.9170.8-73.6166.2000110L210 N212 K216 Y220L210-L218 HydrophobicContact CB-CB 4.05Å; L210-L218 HydrophobicContact CD2-CB 4.42Å; L210-L218 HydrophobicContact CD2-CD1 4.38Å; L210-L218 PolarHBondContact O-N 2.77Å; N212-L218 HydrophobicContact CB-CD1 4.39Å; N212-L218 HydrophobicContact CB-CD2 3.76Å; N212-L218 HydrophobicContact CB-CG 3.9Å; K216-L218 PolarHBondContact O-N 3.22Å; L218-Y220 PolarHBondContact O-N 3.18Å; L218-Y220 VanDerWaalsContact O-N 3.14Å
219L52.6Low57.9Low65 Ų6552.4 Ų52.434%0.3429%0.291SS..  trans-62.6113.5174.7-159.994.3000109.6V221 F302 V308L219-V221 HydrophobicContact CD2-CG2 4.11Å; L219-F302 HydrophobicContact CD1-CD1 4.39Å; L219-F302 HydrophobicContact CD1-CD2 3.51Å; L219-F302 HydrophobicContact CD1-CE1 4.14Å; L219-F302 HydrophobicContact CD1-CE2 3.21Å; L219-F302 HydrophobicContact CD1-CG 4.08Å; L219-F302 HydrophobicContact CD1-CZ 3.52Å; L219-F302 HydrophobicContact CD2-CE2 4.01Å; L219-F302 HydrophobicContact CD2-CZ 4.02Å; L219-F302 HydrophobicContact CG-CD2 4.17Å; L219-F302 HydrophobicContact CG-CE2 3.54Å; L219-F302 HydrophobicContact CG-CZ 3.99Å; L219-V308 HydrophobicContact CD2-CG2 4.4Å
220Y58.9Low58.8Low14 Ų1455.2 Ų55.26%0.05530%0.3CS..  trans-92.4116.3172174.9-123000109.5M203 E206 A207 L210 L218 P222M203-Y220 WeakPolarHBondContact CA-OH 3.38Å; M203-Y220 HydrophobicContact CB-CE1 3.87Å; M203-Y220 HydrophobicContact CG-CE1 4.16Å; M203-Y220 WeakPolarHBondContact CG-OH 3.35Å; M203-Y220 WeakPolarHBondContact O-CE1 3.47Å; E206-Y220 HydrophobicContact CB-CD2 4.45Å; E206-Y220 HydrophobicContact CB-CE2 3.75Å; E206-Y220 HydrophobicContact CG-CD2 4.18Å; E206-Y220 HydrophobicContact CG-CE2 3.61Å; A207-Y220 HydrophobicContact CB-CD1 4.37Å; L210-Y220 HydrophobicContact CD1-CD2 3.26Å; L210-Y220 HydrophobicContact CD1-CE2 4.25Å; L210-Y220 HydrophobicContact CD1-CG 3.79Å; L218-Y220 PolarHBondContact O-N 3.18Å; L218-Y220 VanDerWaalsContact O-N 3.14Å; Y220-P222 HydrophobicContact CD1-CG 4.19Å; Y220-P222 HydrophobicContact CE1-CB 4.23Å; Y220-P222 HydrophobicContact CE1-CG 3.76Å; Y220-P222 WeakPolarHBondContact O-CD 3.43Å
221V60.2Low60.2Low16 Ų1654.4 Ų54.410%0.09730%0.295CS..  trans-96.7113.5164.5-177.30000107.5L219 G223 D224 K259L219-V221 HydrophobicContact CD2-CG2 4.11Å; V221-G223 PolarHBondContact O-N 3.27Å; V221-D224 HydrophobicContact CB-CB 4.37Å; V221-D224 PolarHBondContact O-N 3.02Å; V221-K259 HydrophobicContact CG1-CG 3.78Å; V221-K259 HydrophobicContact CG2-CG 4.39Å
222P58.7Low61.9Low25 Ų2551.5 Ų51.516%0.16228%0.278CS..THydrogen-bonded Turntrans-49.9125.8172.2-28.535.7000111.7M203 Y220 V252M203-P222 HydrophobicContact CG-CB 4.32Å; M203-P222 HydrophobicContact SD-CB 3.63Å; M203-P222 HydrophobicContact SD-CG 3.84Å; Y220-P222 HydrophobicContact CD1-CG 4.19Å; Y220-P222 HydrophobicContact CE1-CB 4.23Å; Y220-P222 HydrophobicContact CE1-CG 3.76Å; Y220-P222 WeakPolarHBondContact O-CD 3.43Å; P222-V252 HydrophobicContact CB-CG1 3.86Å; P222-V252 HydrophobicContact CB-CG2 4.14Å
223G63.9Low63.5Low1 Ų155.9 Ų55.91%0.0129%0.292CS..THydrogen-bonded Turntrans92.4-3.3175.300000116V221 R229V221-G223 PolarHBondContact O-N 3.27Å; G223-R229 VanDerWaalsContact O-CZ 3.25Å; G223-R229 PolarHBondContact O-NE 3.47Å; G223-R229 PolarHBondContact O-NH2 3.31Å
224D61.6Low65.5Low73 Ų7352.2 Ų52.239%0.3927%0.27SS..  trans-74.6-31.2173.3-90.7-7.6000112.2V221 K259V221-D224 HydrophobicContact CB-CB 4.37Å; V221-D224 PolarHBondContact O-N 3.02Å; D224-K259 WeakPolarHBondContact OD2-CE 3.44Å; D224-K259 IonicContact OD2-NZ 2.77Å
225S66.6Low67.8Low24 Ų2447.7 Ų47.717%0.16825%0.249CC..SBendtrans-76.6135.7-179.3130.70000112.8E206 R227 T228 R229E206-S225 VanDerWaalsContact CD-OG 3.32Å; E206-S225 WeakPolarHBondContact OE1-CB 3.36Å; E206-S225 PolarHBondContact OE1-OG 3.26Å; S225-R227 PolarHBondContact O-N 3.41Å; S225-R227 PolarHBondContact OG-N 3.03Å; S225-T228 PolarHBondContact O-N 2.8Å; S225-T228 PolarHBondContact OG-N 3.38Å; S225-T228 PolarHBondContact OG-OG1 3.38Å; S225-T228 VanDerWaalsContact OG-OG1 3.12Å; S225-R229 WeakPolarHBondContact O-CG 3.34Å; S225-R229 PolarHBondContact O-N 2.88Å
226A68.9Low69.6Low66 Ų6647.1 Ų47.155%0.54523%0.234SC..Hα-helixtrans-61.4-34.6174.600000111.7R229 F230A226-R229 PolarHBondContact O-N 3.07Å; A226-F230 WeakPolarHBondContact O-CB 3.43Å; A226-F230 PolarHBondContact O-N 3.39Å
227R73.4Confident71.1Confident81 Ų8148.9 Ų48.931%0.30626%0.255SS..Hα-helixtrans-64.8-48.3175.8-176.8-178.4178.6-1652.2111.2D183 E206 D209 S225 R229 F230 H231D183-R227 IonicContact OD2-NH2 3.86Å; D183-R227 PolarHBondContact OD2-NH2 3.5Å; E206-R227 IonicContact OE2-NH1 2.73Å; D209-R227 IonicContact OD2-NH1 3.74Å; D209-R227 PolarHBondContact OD2-NH1 2.94Å; D209-R227 VanDerWaalsContact OD2-NH1 3.14Å; S225-R227 PolarHBondContact O-N 3.41Å; S225-R227 PolarHBondContact OG-N 3.03Å; R227-R229 PolarHBondContact O-N 3.48Å; R227-F230 PolarHBondContact O-N 3.04Å; R227-H231 PolarHBondContact O-CD2 2.9Å; R227-H231 VanDerWaalsContact O-CD2 3.23Å; R227-H231 PolarHBondContact O-N 3.35Å; R227-H231 VanDerWaalsContact O-N 3.11Å
228T77.4Confident72.8Confident0 Ų048.8 Ų48.80%025%0.252CS..Hα-helixtrans-57.1-50.4174.6-57.80000110.4V202 S225 F230 H231 L232V202-T228 HydrophobicContact CG1-CG2 3.88Å; S225-T228 PolarHBondContact O-N 2.8Å; S225-T228 PolarHBondContact OG-N 3.38Å; S225-T228 PolarHBondContact OG-OG1 3.38Å; S225-T228 VanDerWaalsContact OG-OG1 3.12Å; T228-F230 VanDerWaalsContact C-N 3.34Å; T228-F230 PolarHBondContact O-N 3.42Å; T228-H231 PolarHBondContact O-N 3.46Å; T228-L232 HydrophobicContact CG2-CD1 3.7Å; T228-L232 HydrophobicContact CG2-CG 4.04Å; T228-L232 VanDerWaalsContact O-CB 3.3Å; T228-L232 WeakPolarHBondContact O-CB 3.35Å; T228-L232 WeakPolarHBondContact O-CG 3.47Å; T228-L232 PolarHBondContact O-N 3.36Å
229R76.2Confident74.3Confident50 Ų5054.3 Ų54.319%0.18928%0.276CS..Hα-helixtrans-56.5-46.9178.6-71.9169.6-180-97.5-39.7112.3G223 S225 A226 R227 L232 Y233 L253 K255G223-R229 VanDerWaalsContact O-CZ 3.25Å; G223-R229 PolarHBondContact O-NE 3.47Å; G223-R229 PolarHBondContact O-NH2 3.31Å; S225-R229 WeakPolarHBondContact O-CG 3.34Å; S225-R229 PolarHBondContact O-N 2.88Å; A226-R229 PolarHBondContact O-N 3.07Å; R227-R229 PolarHBondContact O-N 3.48Å; R229-L232 PolarHBondContact O-N 3.23Å; R229-Y233 HydrophobicContact CB-CD2 4.27Å; R229-Y233 HydrophobicContact CB-CE2 4.22Å; R229-Y233 WeakPolarHBondContact O-CB 3.45Å; R229-Y233 WeakPolarHBondContact O-CD2 3.49Å; R229-Y233 PolarHBondContact O-N 3.45Å; R229-L253 HydrophobicContact CB-CD2 4.18Å; R229-L253 HydrophobicContact CG-CD2 4.07Å; R229-K255 VanDerWaalsContact NH1-CE 3.34Å
230F78.9Confident76.1Confident131 Ų13157.7 Ų57.758%0.57529%0.288SS*.Hα-helixtrans-57.5-51.9179.5-179-91.1000111.4A226 R227 T228 L232 Y233 E234A226-F230 WeakPolarHBondContact O-CB 3.43Å; A226-F230 PolarHBondContact O-N 3.39Å; R227-F230 PolarHBondContact O-N 3.04Å; T228-F230 VanDerWaalsContact C-N 3.34Å; T228-F230 PolarHBondContact O-N 3.42Å; F230-L232 VanDerWaalsContact C-N 3.31Å; F230-L232 PolarHBondContact O-N 2.88Å; F230-Y233 PolarHBondContact O-N 2.91Å; F230-E234 WeakPolarHBondContact O-CB 3.25Å; F230-E234 PolarHBondContact O-N 2.96Å
231H85.3Confident77.5Confident30 Ų3057.2 Ų57.214%0.13929%0.287CS..Hα-helixtrans-60.9-39.4177.2-74.8-57.7000112.8Y198 V202 R227 T228 E234 I235Y198-H231 HydrophobicContact CE1-CB 4.09Å; Y198-H231 PolarHBondContact OH-ND1 2.9Å; Y198-H231 VanDerWaalsContact OH-ND1 3.14Å; V202-H231 HydrophobicContact CG1-CB 4.07Å; V202-H231 HydrophobicContact CG2-CB 3.73Å; R227-H231 PolarHBondContact O-CD2 2.9Å; R227-H231 VanDerWaalsContact O-CD2 3.23Å; R227-H231 PolarHBondContact O-N 3.35Å; R227-H231 VanDerWaalsContact O-N 3.11Å; T228-H231 PolarHBondContact O-N 3.46Å; H231-E234 PolarHBondContact O-N 2.92Å; H231-I235 PolarHBondContact O-N 2.94Å; H231-I235 VanDerWaalsContact O-N 3.12Å
232L86.2Confident78.8Confident2 Ų258.4 Ų58.41%0.0130%0.296CS..Hα-helixtrans-69.7-39.3179.1-72.3-169.1000112.6P199 T228 R229 F230 E234 I235 L236 V249 V252 L253P199-L232 HydrophobicContact CB-CD2 3.81Å; P199-L232 HydrophobicContact CG-CD2 4.45Å; T228-L232 HydrophobicContact CG2-CD1 3.7Å; T228-L232 HydrophobicContact CG2-CG 4.04Å; T228-L232 VanDerWaalsContact O-CB 3.3Å; T228-L232 WeakPolarHBondContact O-CB 3.35Å; T228-L232 WeakPolarHBondContact O-CG 3.47Å; T228-L232 PolarHBondContact O-N 3.36Å; R229-L232 PolarHBondContact O-N 3.23Å; F230-L232 VanDerWaalsContact C-N 3.31Å; F230-L232 PolarHBondContact O-N 2.88Å; L232-E234 VanDerWaalsContact C-N 3.34Å; L232-I235 WeakPolarHBondContact O-CG2 3.41Å; L232-I235 PolarHBondContact O-N 3.4Å; L232-L236 WeakPolarHBondContact O-CB 3.3Å; L232-L236 PolarHBondContact O-N 3.31Å; L232-V249 HydrophobicContact CB-CG1 4Å; L232-V249 HydrophobicContact CD2-CG2 4.21Å; L232-V249 WeakPolarHBondContact O-CG1 3.5Å; L232-V252 HydrophobicContact CD1-CB 3.88Å; L232-V252 HydrophobicContact CD1-CG1 3.4Å; L232-L253 HydrophobicContact CB-CD1 4.48Å; L232-L253 HydrophobicContact CB-CD2 3.98Å; L232-L253 HydrophobicContact CB-CG 4.27Å; L232-L253 HydrophobicContact CD1-CD2 4.49Å
233Y84.4Confident79.8Confident128 Ų12860.9 Ų60.950%0.50232%0.318SS..Hα-helixtrans-64.1-39.8171.6-80.4-60.8000111.8R229 F230 I235 L236 L253R229-Y233 HydrophobicContact CB-CD2 4.27Å; R229-Y233 HydrophobicContact CB-CE2 4.22Å; R229-Y233 WeakPolarHBondContact O-CB 3.45Å; R229-Y233 WeakPolarHBondContact O-CD2 3.49Å; R229-Y233 PolarHBondContact O-N 3.45Å; F230-Y233 PolarHBondContact O-N 2.91Å; Y233-I235 VanDerWaalsContact C-N 3.3Å; Y233-I235 PolarHBondContact O-N 3.29Å; Y233-L236 PolarHBondContact O-N 2.73Å; Y233-L253 HydrophobicContact CD1-CD1 3.8Å; Y233-L253 HydrophobicContact CD2-CD2 4.06Å; Y233-L253 HydrophobicContact CE1-CD1 3.71Å; Y233-L253 HydrophobicContact CE1-CD2 4.32Å; Y233-L253 HydrophobicContact CE2-CD2 3.78Å; Y233-L253 HydrophobicContact CG-CD1 4.3Å; Y233-L253 HydrophobicContact CG-CD2 4.42Å
234E83Confident80.5Confident72 Ų7267.8 Ų67.834%0.33635%0.354SS..Hα-helixtrans-65.7-31.2-180-157.5-160.3136.900112.8R191 F230 H231 L232R191-E234 IonicContact CZ-OE1 3.84Å; R191-E234 VanDerWaalsContact NH1-CD 3.33Å; R191-E234 PolarHBondContact NH1-O 3.43Å; R191-E234 IonicContact NH1-OE1 2.99Å; R191-E234 PolarHBondContact NH1-OE1 2.67Å; R191-E234 PolarHBondContact NH2-O 3.16Å; F230-E234 WeakPolarHBondContact O-CB 3.25Å; F230-E234 PolarHBondContact O-N 2.96Å; H231-E234 PolarHBondContact O-N 2.92Å; L232-E234 VanDerWaalsContact C-N 3.34Å
235I88.2Confident81.5Confident0 Ų064.6 Ų64.60%034%0.338CS..Hα-helixtrans-91-22.5178.5-151.168000113.3R191 V195 Y198 P199 H231 L232 Y233 S237 D238 L241 V249R191-I235 HydrophobicContact CG-CD1 3.96Å; V195-I235 HydrophobicContact CG1-CD1 3.99Å; V195-I235 HydrophobicContact CG1-CG1 4.05Å; Y198-I235 HydrophobicContact CD1-CB 3.75Å; Y198-I235 HydrophobicContact CD1-CD1 4.04Å; Y198-I235 HydrophobicContact CD1-CG1 3.71Å; Y198-I235 HydrophobicContact CD1-CG2 3.92Å; Y198-I235 HydrophobicContact CD2-CD1 4.35Å; Y198-I235 HydrophobicContact CE1-CB 3.93Å; Y198-I235 HydrophobicContact CE1-CD1 4.35Å; Y198-I235 HydrophobicContact CE1-CG1 4.26Å; Y198-I235 HydrophobicContact CE1-CG2 4.31Å; Y198-I235 HydrophobicContact CG-CD1 4.04Å; Y198-I235 HydrophobicContact CG-CG1 4.01Å; P199-I235 HydrophobicContact CG-CG2 4.46Å; H231-I235 PolarHBondContact O-N 2.94Å; H231-I235 VanDerWaalsContact O-N 3.12Å; L232-I235 WeakPolarHBondContact O-CG2 3.41Å; L232-I235 PolarHBondContact O-N 3.4Å; Y233-I235 VanDerWaalsContact C-N 3.3Å; Y233-I235 PolarHBondContact O-N 3.29Å; I235-S237 PolarHBondContact O-N 3.46Å; I235-S237 VanDerWaalsContact O-N 3.16Å; I235-D238 HydrophobicContact CD1-CB 4.02Å; I235-D238 HydrophobicContact CG1-CB 4.32Å; I235-D238 VanDerWaalsContact O-CB 3.24Å; I235-D238 WeakPolarHBondContact O-CB 3.38Å; I235-D238 PolarHBondContact O-N 2.92Å; I235-L241 HydrophobicContact CG2-CD2 4.47Å; I235-V249 HydrophobicContact CG2-CG2 4.03Å
236L85.1Confident82.3Confident40 Ų4066.9 Ų66.921%0.20934%0.344CS..Hα-helixtrans-56.7-34.9-178.3-175.263.7000112.5L232 Y233 D238 R246 V249 E250 L253L232-L236 WeakPolarHBondContact O-CB 3.3Å; L232-L236 PolarHBondContact O-N 3.31Å; Y233-L236 PolarHBondContact O-N 2.73Å; L236-D238 VanDerWaalsContact C-N 3.32Å; L236-R246 HydrophobicContact CD1-CG 3.91Å; L236-R246 PolarHBondContact O-NE 3.13Å; L236-R246 PolarHBondContact O-NH2 2.93Å; L236-V249 HydrophobicContact CB-CG1 4.07Å; L236-V249 HydrophobicContact CD1-CB 4.13Å; L236-V249 HydrophobicContact CD1-CG1 3.74Å; L236-V249 HydrophobicContact CG-CG1 4.39Å; L236-E250 HydrophobicContact CD1-CG 3.88Å; L236-L253 HydrophobicContact CD2-CD1 4.24Å
237S80.7Confident82.8Confident105 Ų10566.8 Ų66.873%0.73434%0.339SS*.THydrogen-bonded Turntrans-82.5-4.7178.8-54.10000113.8I235 E239I235-S237 PolarHBondContact O-N 3.46Å; I235-S237 VanDerWaalsContact O-N 3.16Å; S237-E239 PolarHBondContact O-N 3.03Å
238D85.8Confident83Confident27 Ų2765.1 Ų65.114%0.14434%0.335CS..  trans-75.7125.5-178.3-156.9-56.1000110.8R191 V195 I235 L236 K240 L241 R246R191-D238 IonicContact CZ-OD2 3.14Å; R191-D238 IonicContact NE-OD2 3.61Å; R191-D238 IonicContact NH2-OD2 2.73Å; R191-D238 PolarHBondContact NH2-OD2 3.49Å; V195-D238 HydrophobicContact CG1-CB 4.48Å; I235-D238 HydrophobicContact CD1-CB 4.02Å; I235-D238 HydrophobicContact CG1-CB 4.32Å; I235-D238 VanDerWaalsContact O-CB 3.24Å; I235-D238 WeakPolarHBondContact O-CB 3.38Å; I235-D238 PolarHBondContact O-N 2.92Å; L236-D238 VanDerWaalsContact C-N 3.32Å; D238-K240 PolarHBondContact O-N 2.95Å; D238-K240 WeakPolarHBondContact OD1-CB 3.41Å; D238-K240 PolarHBondContact OD1-N 2.95Å; D238-L241 WeakPolarHBondContact O-CB 3.34Å; D238-L241 PolarHBondContact O-N 3.5Å; D238-R246 PolarHBondContact O-NH2 3.48Å
239E85Confident83.2Confident191 Ų19165.1 Ų65.189%0.89334%0.335SS*.THydrogen-bonded Turntrans-67.4-23.2-179.4-64.6-175172.800112.6S237 L241S237-E239 PolarHBondContact O-N 3.03Å; E239-L241 PolarHBondContact O-N 3.34Å
240K89.7Confident83.5Confident135 Ų13566.9 Ų66.959%0.58735%0.346SS*.THydrogen-bonded Turntrans-77-12178.2-62.2177.5-178.1175.70112.8V195 D238 S242V195-K240 HydrophobicContact CB-CB 4.01Å; V195-K240 HydrophobicContact CG1-CB 4.19Å; V195-K240 HydrophobicContact CG2-CB 3.61Å; V195-K240 HydrophobicContact CG2-CD 3.88Å; V195-K240 HydrophobicContact CG2-CG 4.43Å; D238-K240 PolarHBondContact O-N 2.95Å; D238-K240 WeakPolarHBondContact OD1-CB 3.41Å; D238-K240 PolarHBondContact OD1-N 2.95Å; K240-S242 PolarHBondContact O-N 2.93Å
241L89.1Confident83.2Confident4 Ų464.5 Ų64.52%0.02134%0.337CS..SBendtrans-74119.3177.6-171.269000110V195 P199 I235 D238 E239 R246 V249V195-L241 HydrophobicContact CG1-CB 4Å; V195-L241 HydrophobicContact CG1-CD1 4.07Å; P199-L241 HydrophobicContact CG-CD1 4.31Å; I235-L241 HydrophobicContact CG2-CD2 4.47Å; D238-L241 WeakPolarHBondContact O-CB 3.34Å; D238-L241 PolarHBondContact O-N 3.5Å; E239-L241 PolarHBondContact O-N 3.34Å; L241-R246 HydrophobicContact CD2-CB 4Å; L241-R246 HydrophobicContact CG-CB 4.39Å; L241-R246 PolarHBondContact O-NH1 2.71Å; L241-R246 VanDerWaalsContact O-NH1 3.11Å; L241-V249 HydrophobicContact CD2-CG2 4.05Å
242S86.5Confident82.5Confident42 Ų4263.4 Ų63.429%0.29433%0.333SS..  trans-61.3163.3177.3700000111.9D196 K240 L244 G245 R246D196-S242 VanDerWaalsContact CG-OG 3.23Å; D196-S242 WeakPolarHBondContact OD1-CA 3.43Å; D196-S242 WeakPolarHBondContact OD1-CB 3.47Å; D196-S242 PolarHBondContact OD1-N 2.89Å; D196-S242 PolarHBondContact OD1-OG 3.22Å; K240-S242 PolarHBondContact O-N 2.93Å; S242-L244 PolarHBondContact O-N 3.37Å; S242-G245 PolarHBondContact O-N 3.48Å; S242-G245 PolarHBondContact OG-N 3.43Å; S242-G245 VanDerWaalsContact OG-N 3.1Å; S242-R246 WeakPolarHBondContact O-CB 3.37Å; S242-R246 PolarHBondContact O-N 3.19Å
243A80.4Confident81.9Confident76 Ų7664.1 Ų64.163%0.62834%0.337SS*.Hα-helixtrans-58.3-35.417500000112.6S247A243-S247 WeakPolarHBondContact O-CB 3.3Å; A243-S247 PolarHBondContact O-N 3.05Å; A243-S247 PolarHBondContact O-OG 2.81Å
244L78.6Confident81.2Confident146 Ų14664.5 Ų64.576%0.76434%0.343SS*.Hα-helixtrans-69.1-46.4177-171.277.7000111S242 R246 S247 L248S242-L244 PolarHBondContact O-N 3.37Å; L244-R246 VanDerWaalsContact C-N 3.34Å; L244-R246 PolarHBondContact O-N 3.11Å; L244-S247 PolarHBondContact O-N 3.15Å; L244-L248 PolarHBondContact O-N 3.43Å
245G81.7Confident79.8Confident6 Ų666.3 Ų66.36%0.06235%0.35CS..Hα-helixtrans-58.3-45.7174.600000111.7S242 S247 L248 V249S242-G245 PolarHBondContact O-N 3.48Å; S242-G245 PolarHBondContact OG-N 3.43Å; S242-G245 VanDerWaalsContact OG-N 3.1Å; G245-S247 PolarHBondContact O-N 3.34Å; G245-L248 WeakPolarHBondContact O-CB 3.49Å; G245-L248 PolarHBondContact O-N 2.55Å; G245-V249 VanDerWaalsContact O-CG2 3.31Å; G245-V249 WeakPolarHBondContact O-CG2 3.29Å; G245-V249 PolarHBondContact O-N 3.48Å
246R83Confident78Confident73 Ų7368 Ų6828%0.27537%0.367SS..Hα-helixtrans-60.9-45.1176.5-178.6168.3-75101.13.1112.3L236 D238 L241 S242 L244 L248 V249 E250L236-R246 HydrophobicContact CD1-CG 3.91Å; L236-R246 PolarHBondContact O-NE 3.13Å; L236-R246 PolarHBondContact O-NH2 2.93Å; D238-R246 PolarHBondContact O-NH2 3.48Å; L241-R246 HydrophobicContact CD2-CB 4Å; L241-R246 HydrophobicContact CG-CB 4.39Å; L241-R246 PolarHBondContact O-NH1 2.71Å; L241-R246 VanDerWaalsContact O-NH1 3.11Å; S242-R246 WeakPolarHBondContact O-CB 3.37Å; S242-R246 PolarHBondContact O-N 3.19Å; L244-R246 VanDerWaalsContact C-N 3.34Å; L244-R246 PolarHBondContact O-N 3.11Å; R246-L248 VanDerWaalsContact C-N 3.3Å; R246-L248 PolarHBondContact O-N 3.04Å; R246-V249 PolarHBondContact O-N 3.22Å; R246-V249 VanDerWaalsContact O-N 3.14Å; R246-E250 HydrophobicContact CG-CG 4.48Å; R246-E250 WeakPolarHBondContact CG-OE1 3.4Å; R246-E250 WeakPolarHBondContact O-CG 3.39Å; R246-E250 PolarHBondContact O-N 3.49Å
247S79.4Confident76Confident63 Ų6370.3 Ų70.344%0.44138%0.379SS..Hα-helixtrans-60.3-40.2176.6-57.40000111.8A243 L244 G245 M251A243-S247 WeakPolarHBondContact O-CB 3.3Å; A243-S247 PolarHBondContact O-N 3.05Å; A243-S247 PolarHBondContact O-OG 2.81Å; L244-S247 PolarHBondContact O-N 3.15Å; G245-S247 PolarHBondContact O-N 3.34Å; S247-M251 WeakPolarHBondContact O-CB 3.44Å; S247-M251 PolarHBondContact O-N 2.97Å
248L78.5Confident74.2Confident46 Ų4665.7 Ų65.724%0.24135%0.348CS..Hα-helixtrans-63.6-43.9174.8176.765.1000111.6P199 L200 M203 L244 G245 R246 M251 V252P199-L248 HydrophobicContact CB-CD2 4.1Å; L200-L248 HydrophobicContact CD2-CD2 3.77Å; L200-L248 HydrophobicContact CG-CD2 4.23Å; M203-L248 HydrophobicContact CE-CD2 4.16Å; L244-L248 PolarHBondContact O-N 3.43Å; G245-L248 WeakPolarHBondContact O-CB 3.49Å; G245-L248 PolarHBondContact O-N 2.55Å; R246-L248 VanDerWaalsContact C-N 3.3Å; R246-L248 PolarHBondContact O-N 3.04Å; L248-M251 PolarHBondContact O-N 3.49Å; L248-V252 HydrophobicContact CD1-CG2 4.18Å; L248-V252 VanDerWaalsContact O-CG2 3.24Å; L248-V252 WeakPolarHBondContact O-CG2 3.44Å; L248-V252 PolarHBondContact O-N 2.89Å
249V82.3Confident72.3Confident0 Ų068.5 Ų68.50%036%0.359CS..Hα-helixtrans-61.6-49.6178.1175.80000111.2P199 L232 I235 L236 L241 G245 R246 M251 V252 L253P199-V249 HydrophobicContact CB-CG2 3.95Å; P199-V249 HydrophobicContact CG-CG2 3.47Å; P199-V249 VanDerWaalsContact CG-CG2 3.47Å; L232-V249 HydrophobicContact CB-CG1 4Å; L232-V249 HydrophobicContact CD2-CG2 4.21Å; L232-V249 WeakPolarHBondContact O-CG1 3.5Å; I235-V249 HydrophobicContact CG2-CG2 4.03Å; L236-V249 HydrophobicContact CB-CG1 4.07Å; L236-V249 HydrophobicContact CD1-CB 4.13Å; L236-V249 HydrophobicContact CD1-CG1 3.74Å; L236-V249 HydrophobicContact CG-CG1 4.39Å; L241-V249 HydrophobicContact CD2-CG2 4.05Å; G245-V249 VanDerWaalsContact O-CG2 3.31Å; G245-V249 WeakPolarHBondContact O-CG2 3.29Å; G245-V249 PolarHBondContact O-N 3.48Å; R246-V249 PolarHBondContact O-N 3.22Å; R246-V249 VanDerWaalsContact O-N 3.14Å; V249-M251 VanDerWaalsContact C-N 3.33Å; V249-M251 PolarHBondContact O-N 2.94Å; V249-V252 PolarHBondContact O-N 3.42Å; V249-L253 HydrophobicContact CG1-CD1 3.83Å; V249-L253 HydrophobicContact CG1-CG 4.37Å; V249-L253 WeakPolarHBondContact O-CG 3.49Å; V249-L253 PolarHBondContact O-N 3.41Å
250E81.8Confident70.4Confident87 Ų8764.4 Ų64.441%0.40734%0.339SS..Hα-helixtrans-59.3-45.8178.2-71.8169.9-178.100111L236 R246 V252 L253 H254L236-E250 HydrophobicContact CD1-CG 3.88Å; R246-E250 HydrophobicContact CG-CG 4.48Å; R246-E250 WeakPolarHBondContact CG-OE1 3.4Å; R246-E250 WeakPolarHBondContact O-CG 3.39Å; R246-E250 PolarHBondContact O-N 3.49Å; E250-V252 VanDerWaalsContact C-N 3.33Å; E250-V252 PolarHBondContact O-N 3.5Å; E250-L253 PolarHBondContact O-N 2.97Å; E250-H254 PolarHBondContact O-CD2 2.78Å; E250-H254 PolarHBondContact O-N 2.94Å; E250-H254 VanDerWaalsContact O-N 3.11Å
251M72.3Confident68.2Low81 Ų8161.1 Ų61.140%0.39933%0.328SS..Hα-helixtrans-56.1-45.9175.9-176.3-165.3-5900112.1S247 L248 V249 L257 L261S247-M251 WeakPolarHBondContact O-CB 3.44Å; S247-M251 PolarHBondContact O-N 2.97Å; L248-M251 PolarHBondContact O-N 3.49Å; V249-M251 VanDerWaalsContact C-N 3.33Å; V249-M251 PolarHBondContact O-N 2.94Å; M251-L257 HydrophobicContact CG-CD2 4.09Å; M251-L261 HydrophobicContact CG-CD1 4.3Å; M251-L261 HydrophobicContact SD-CD1 3.97Å
252V71.8Confident66.2Low8 Ų862.7 Ų62.75%0.04834%0.337CS..Hα-helixtrans-71.7-34.4-178.5174.10000112.1M203 P222 L232 L248 V249 E250M203-V252 HydrophobicContact SD-CG2 4.29Å; P222-V252 HydrophobicContact CB-CG1 3.86Å; P222-V252 HydrophobicContact CB-CG2 4.14Å; L232-V252 HydrophobicContact CD1-CB 3.88Å; L232-V252 HydrophobicContact CD1-CG1 3.4Å; L248-V252 HydrophobicContact CD1-CG2 4.18Å; L248-V252 VanDerWaalsContact O-CG2 3.24Å; L248-V252 WeakPolarHBondContact O-CG2 3.44Å; L248-V252 PolarHBondContact O-N 2.89Å; V249-V252 PolarHBondContact O-N 3.42Å; E250-V252 VanDerWaalsContact C-N 3.33Å; E250-V252 PolarHBondContact O-N 3.5Å
253L73.6Confident64.3Low17 Ų1767.7 Ų67.79%0.08936%0.356CS..Hα-helixtrans-70.3-31.9178.1-71.7173.5000112.6R229 L232 Y233 L236 V249 E250 K255R229-L253 HydrophobicContact CB-CD2 4.18Å; R229-L253 HydrophobicContact CG-CD2 4.07Å; L232-L253 HydrophobicContact CB-CD1 4.48Å; L232-L253 HydrophobicContact CB-CD2 3.98Å; L232-L253 HydrophobicContact CB-CG 4.27Å; L232-L253 HydrophobicContact CD1-CD2 4.49Å; Y233-L253 HydrophobicContact CD1-CD1 3.8Å; Y233-L253 HydrophobicContact CD2-CD2 4.06Å; Y233-L253 HydrophobicContact CE1-CD1 3.71Å; Y233-L253 HydrophobicContact CE1-CD2 4.32Å; Y233-L253 HydrophobicContact CE2-CD2 3.78Å; Y233-L253 HydrophobicContact CG-CD1 4.3Å; Y233-L253 HydrophobicContact CG-CD2 4.42Å; L236-L253 HydrophobicContact CD2-CD1 4.24Å; V249-L253 HydrophobicContact CG1-CD1 3.83Å; V249-L253 HydrophobicContact CG1-CG 4.37Å; V249-L253 WeakPolarHBondContact O-CG 3.49Å; V249-L253 PolarHBondContact O-N 3.41Å; E250-L253 PolarHBondContact O-N 2.97Å; L253-K255 PolarHBondContact O-N 3.24Å; L253-K255 VanDerWaalsContact O-N 3.07Å
254H68.7Low62.4Low135 Ų13568 Ų6863%0.62536%0.358SS*.SBendtrans-76.489.9174.6-77.1-67.2000111.8E250 G256 L257E250-H254 PolarHBondContact O-CD2 2.78Å; E250-H254 PolarHBondContact O-N 2.94Å; E250-H254 VanDerWaalsContact O-N 3.11Å; H254-G256 PolarHBondContact O-N 3.25Å; H254-L257 PolarHBondContact O-N 3.39Å; H254-L257 VanDerWaalsContact O-N 3.1Å
255K54.3Low60.4Low110 Ų11064.7 Ų64.748%0.47835%0.347SS..Hα-helixtrans-39.3-44.1-176.9-75.9-168.8173.9-173.40115.4R229 L253 L257R229-K255 VanDerWaalsContact NH1-CE 3.34Å; L253-K255 PolarHBondContact O-N 3.24Å; L253-K255 VanDerWaalsContact O-N 3.07Å; K255-L257 PolarHBondContact O-N 2.64Å
256G49.3Very low58.7Low36 Ų3671.4 Ų71.437%0.37138%0.377SS..Hα-helixtrans-65.3-38.6-173.100000113.1H254 Q260H254-G256 PolarHBondContact O-N 3.25Å; G256-Q260 WeakPolarHBondContact O-CB 3.35Å; G256-Q260 WeakPolarHBondContact O-CG 3.39Å; G256-Q260 PolarHBondContact O-N 2.84Å
257L43Very low57.1Low88 Ų8870.8 Ų70.846%0.46138%0.382SS..Hα-helixtrans-79.3-37.5-175.5-142.486000111.8M251 H254 K255 Q260 L261M251-L257 HydrophobicContact CG-CD2 4.09Å; H254-L257 PolarHBondContact O-N 3.39Å; H254-L257 VanDerWaalsContact O-N 3.1Å; K255-L257 PolarHBondContact O-N 2.64Å; L257-Q260 PolarHBondContact O-N 2.89Å; L257-L261 HydrophobicContact CB-CD1 4.49Å; L257-L261 HydrophobicContact CD2-CD1 3.68Å; L257-L261 HydrophobicContact CG-CD1 3.84Å; L257-L261 HydrophobicContact CG-CG 4.34Å; L257-L261 WeakPolarHBondContact O-CB 3.32Å; L257-L261 VanDerWaalsContact O-CG 3.26Å; L257-L261 WeakPolarHBondContact O-CG 3.31Å; L257-L261 PolarHBondContact O-N 3.47Å
258A44.1Very low55.6Low9 Ų972 Ų727%0.07439%0.387CS..Hα-helixtrans-64.3-48-178.400000112V262A258-V262 WeakPolarHBondContact O-CB 3.38Å; A258-V262 WeakPolarHBondContact O-CG2 3.48Å; A258-V262 PolarHBondContact O-N 3.21Å
259K46.1Very low54.2Low86 Ų8677.6 Ų77.637%0.37441%0.412SS..Hα-helixtrans-63.1-44.7175-86.3-169.6175.7-179.40112.3V221 D224 V262 Q263V221-K259 HydrophobicContact CG1-CG 3.78Å; V221-K259 HydrophobicContact CG2-CG 4.39Å; D224-K259 WeakPolarHBondContact OD2-CE 3.44Å; D224-K259 IonicContact OD2-NZ 2.77Å; K259-V262 PolarHBondContact O-N 3.36Å; K259-Q263 WeakPolarHBondContact O-CB 3.15Å; K259-Q263 WeakPolarHBondContact O-CG 3.36Å; K259-Q263 PolarHBondContact O-N 3.39Å
260Q45.3Very low52.7Low104 Ų10485.6 Ų85.649%0.48645%0.449SS..Hα-helixtrans-64.3-42.8179.8-74.8177.2-10.300112.2G256 L257 A264G256-Q260 WeakPolarHBondContact O-CB 3.35Å; G256-Q260 WeakPolarHBondContact O-CG 3.39Å; G256-Q260 PolarHBondContact O-N 2.84Å; L257-Q260 PolarHBondContact O-N 2.89Å; Q260-A264 WeakPolarHBondContact O-CB 3.37Å; Q260-A264 PolarHBondContact O-N 2.91Å
261L43.6Very low51.4Low67 Ų6784.1 Ų84.135%0.35145%0.448SS..Hα-helixtrans-69.7-40176.5-76167.4000112M251 L257 Q263 A264 C265M251-L261 HydrophobicContact CG-CD1 4.3Å; M251-L261 HydrophobicContact SD-CD1 3.97Å; L257-L261 HydrophobicContact CB-CD1 4.49Å; L257-L261 HydrophobicContact CD2-CD1 3.68Å; L257-L261 HydrophobicContact CG-CD1 3.84Å; L257-L261 HydrophobicContact CG-CG 4.34Å; L257-L261 WeakPolarHBondContact O-CB 3.32Å; L257-L261 VanDerWaalsContact O-CG 3.26Å; L257-L261 WeakPolarHBondContact O-CG 3.31Å; L257-L261 PolarHBondContact O-N 3.47Å; L261-Q263 VanDerWaalsContact C-N 3.29Å; L261-Q263 PolarHBondContact O-N 3.44Å; L261-A264 PolarHBondContact O-N 2.9Å; L261-C265 VanDerWaalsContact O-CB 3.22Å; L261-C265 WeakPolarHBondContact O-CB 3.17Å; L261-C265 PolarHBondContact O-N 3.28Å
262V46.3Very low50.4Low36 Ų3682.2 Ų82.222%0.21844%0.44CS..Hα-helixtrans-66-33.5177.8166.10000111.3A258 K259 F302A258-V262 WeakPolarHBondContact O-CB 3.38Å; A258-V262 WeakPolarHBondContact O-CG2 3.48Å; A258-V262 PolarHBondContact O-N 3.21Å; K259-V262 PolarHBondContact O-N 3.36Å; V262-F302 HydrophobicContact CG1-CD2 4.38Å; V262-F302 HydrophobicContact CG1-CE1 4.05Å; V262-F302 HydrophobicContact CG1-CE2 3.29Å; V262-F302 HydrophobicContact CG1-CZ 3.11Å
263Q45.9Very low49.6Very low148 Ų14886.6 Ų86.669%0.69246%0.461SS*.Hα-helixtrans-76.9-36.2170.9-73.1176.6-1700113K259 L261K259-Q263 WeakPolarHBondContact O-CB 3.15Å; K259-Q263 WeakPolarHBondContact O-CG 3.36Å; K259-Q263 PolarHBondContact O-N 3.39Å; L261-Q263 VanDerWaalsContact C-N 3.29Å; L261-Q263 PolarHBondContact O-N 3.44Å
264A40.5Very low48.9Very low81 Ų8189.7 Ų89.767%0.66948%0.482SS*.Hα-helixtrans-82.4-26-176.300000114.1Q260 L261Q260-A264 WeakPolarHBondContact O-CB 3.37Å; Q260-A264 PolarHBondContact O-N 2.91Å; L261-A264 PolarHBondContact O-N 2.9Å
265C37.4Very low48.4Very low78 Ų7886.7 Ų86.753%0.52747%0.47SS..  trans-105.782.8-179.2-66.80000110.2L261 P267L261-C265 VanDerWaalsContact O-CB 3.22Å; L261-C265 WeakPolarHBondContact O-CB 3.17Å; L261-C265 PolarHBondContact O-N 3.28Å; C265-P267 WeakPolarHBondContact O-CD 3.38Å
266Q46Very low48.4Very low146 Ų14684 Ų8468%0.68246%0.462SS*.  trans-67114.7149.1-70.6-170.3-7.400106.8T268Q266-T268 PolarHBondContact O-N 3.34Å
267P48.8Very low48.9Very low60 Ų6085.3 Ų85.339%0.3947%0.466SS..  trans-65.4113.1175.726.3-30.6000108C265 S271 L272 A299C265-P267 WeakPolarHBondContact O-CD 3.38Å; P267-S271 WeakPolarHBondContact CA-OG 3.38Å; P267-S271 WeakPolarHBondContact CB-OG 3.15Å; P267-L272 HydrophobicContact CB-CD1 4.34Å; P267-L272 HydrophobicContact CB-CD2 3.81Å; P267-L272 HydrophobicContact CB-CG 3.97Å; P267-L272 HydrophobicContact CG-CD1 4.32Å; P267-L272 HydrophobicContact CG-CD2 4.19Å; P267-L272 HydrophobicContact CG-CG 4.43Å; P267-A299 HydrophobicContact CG-CB 4.17Å
268T47.8Very low49.7Very low88 Ų8888.2 Ų88.254%0.5447%0.471SS..  trans-59.5150174.450.50000109.8Q266 E270 S271 L272Q266-T268 PolarHBondContact O-N 3.34Å; T268-E270 PolarHBondContact O-N 2.89Å; T268-E270 VanDerWaalsContact O-N 3.09Å; T268-S271 PolarHBondContact N-OG 3.48Å; T268-S271 VanDerWaalsContact N-OG 3.17Å; T268-S271 WeakPolarHBondContact O-CA 3.23Å; T268-S271 WeakPolarHBondContact O-CB 3.3Å; T268-S271 PolarHBondContact O-N 3.34Å; T268-S271 PolarHBondContact O-OG 3.2Å; T268-L272 PolarHBondContact O-N 2.95Å
269E48.5Very low50.2Low165 Ų16589.1 Ų89.177%0.77147%0.474SS*.Hα-helixtrans-52.5-35177.1-164.2178.6-174.200111.7S271 L272 M273E269-S271 PolarHBondContact O-N 3.28Å; E269-L272 PolarHBondContact O-N 3.28Å; E269-M273 PolarHBondContact O-N 3.15Å
270E51.6Low50.7Low168 Ų16891.1 Ų91.179%0.78549%0.489SS*.Hα-helixtrans-61.7-38.1173.4-67-170.2160.900113.8T268 P274T268-E270 PolarHBondContact O-N 2.89Å; T268-E270 VanDerWaalsContact O-N 3.09Å; E270-P274 WeakPolarHBondContact O-CD 3.44Å
271S55.3Low51.5Low55 Ų5588.5 Ų88.539%0.38549%0.485SS..Hα-helixtrans-72.3-29.7177.272.70000112.6P267 T268 E269P267-S271 WeakPolarHBondContact CA-OG 3.38Å; P267-S271 WeakPolarHBondContact CB-OG 3.15Å; T268-S271 PolarHBondContact N-OG 3.48Å; T268-S271 VanDerWaalsContact N-OG 3.17Å; T268-S271 WeakPolarHBondContact O-CA 3.23Å; T268-S271 WeakPolarHBondContact O-CB 3.3Å; T268-S271 PolarHBondContact O-N 3.34Å; T268-S271 PolarHBondContact O-OG 3.2Å; E269-S271 PolarHBondContact O-N 3.28Å
272L51.6Low51.9Low42 Ų4294.6 Ų94.622%0.2251%0.512CS..Hα-helixtrans-82.5-32.2179.3-65.2179.2000112.6P267 T268 E269 I275 V276 L296P267-L272 HydrophobicContact CB-CD1 4.34Å; P267-L272 HydrophobicContact CB-CD2 3.81Å; P267-L272 HydrophobicContact CB-CG 3.97Å; P267-L272 HydrophobicContact CG-CD1 4.32Å; P267-L272 HydrophobicContact CG-CD2 4.19Å; P267-L272 HydrophobicContact CG-CG 4.43Å; T268-L272 PolarHBondContact O-N 2.95Å; E269-L272 PolarHBondContact O-N 3.28Å; L272-I275 CarbonylContact O-C 3.55Å; L272-I275 WeakPolarHBondContact O-CA 3.29Å; L272-I275 WeakPolarHBondContact O-CB 3.3Å; L272-I275 PolarHBondContact O-N 3.47Å; L272-V276 WeakPolarHBondContact O-CG2 3.42Å; L272-V276 PolarHBondContact O-N 3.34Å; L272-L296 HydrophobicContact CD1-CD2 4.39Å; L272-L296 HydrophobicContact CD2-CD2 3.75Å; L272-L296 HydrophobicContact CG-CD2 4.47Å
273M53.8Low52.3Low99 Ų99100.8 Ų100.849%0.48854%0.544SS..Hα-helixtrans-55.7-40.7-174.3-93.4-58.1-72.400115.4E269 I275 V276 S277E269-M273 PolarHBondContact O-N 3.15Å; M273-I275 VanDerWaalsContact C-N 3.29Å; M273-I275 PolarHBondContact O-N 3.06Å; M273-V276 PolarHBondContact O-N 2.95Å; M273-S277 VanDerWaalsContact O-CB 3.26Å; M273-S277 WeakPolarHBondContact O-CB 3.2Å; M273-S277 PolarHBondContact O-N 3.05Å; M273-S277 PolarHBondContact O-OG 3.41Å
274P58.1Low53.3Low82 Ų8299.5 Ų99.553%0.53253%0.533SS..Hα-helixtrans-62-36.4173.1-23.733.6000112.9E270 R278E270-P274 WeakPolarHBondContact O-CD 3.44Å; P274-R278 WeakPolarHBondContact O-CG 3.29Å; P274-R278 PolarHBondContact O-N 2.95Å; P274-R278 VanDerWaalsContact O-N 3.12Å
275I58.4Low55.3Low72 Ų7296.4 Ų96.437%0.36951%0.506SS..Hα-helixtrans-71.9-44.5179.7-59.9173000110L272 M273 R278 L279 I292L272-I275 CarbonylContact O-C 3.55Å; L272-I275 WeakPolarHBondContact O-CA 3.29Å; L272-I275 WeakPolarHBondContact O-CB 3.3Å; L272-I275 PolarHBondContact O-N 3.47Å; M273-I275 VanDerWaalsContact C-N 3.29Å; M273-I275 PolarHBondContact O-N 3.06Å; I275-R278 WeakPolarHBondContact O-CB 3.24Å; I275-R278 PolarHBondContact O-N 3.37Å; I275-L279 PolarHBondContact O-N 2.93Å; I275-I292 HydrophobicContact CG2-CD1 4.34Å; I275-I292 HydrophobicContact CG2-CG1 4.31Å; I275-I292 HydrophobicContact CG2-CG2 3.43Å; I275-I292 VanDerWaalsContact CG2-CG2 3.43Å
276V54.1Low57.4Low53 Ų5394.5 Ų94.532%0.32149%0.492SS..Hα-helixtrans-64.2-40174.1177.80000110.9L272 M273 R278 L279 L296L272-V276 WeakPolarHBondContact O-CG2 3.42Å; L272-V276 PolarHBondContact O-N 3.34Å; M273-V276 PolarHBondContact O-N 2.95Å; V276-R278 VanDerWaalsContact C-N 3.27Å; V276-R278 PolarHBondContact O-N 3.44Å; V276-L279 WeakPolarHBondContact O-CA 3.3Å; V276-L279 WeakPolarHBondContact O-CB 3.09Å; V276-L279 PolarHBondContact O-N 3.48Å; V276-L296 HydrophobicContact CG2-CD1 3.98Å; V276-L296 HydrophobicContact CG2-CD2 4.33Å
277S61.7Low59.3Low64 Ų6487.6 Ų87.645%0.44846%0.46SS..Hα-helixtrans-63.2-33176-580000112.3M273 L279 D280M273-S277 VanDerWaalsContact O-CB 3.26Å; M273-S277 WeakPolarHBondContact O-CB 3.2Å; M273-S277 PolarHBondContact O-N 3.05Å; M273-S277 PolarHBondContact O-OG 3.41Å; S277-L279 VanDerWaalsContact C-N 3.26Å; S277-L279 PolarHBondContact O-N 2.84Å; S277-D280 PolarHBondContact O-N 2.79Å
278R58.3Low60.8Low149 Ų14986.7 Ų86.756%0.56245%0.451SS*.Hα-helixtrans-68.2-25.2171.6-75-174.372.1175.9-3.7112.6P274 I275 V276 D280 E288P274-R278 WeakPolarHBondContact O-CG 3.29Å; P274-R278 PolarHBondContact O-N 2.95Å; P274-R278 VanDerWaalsContact O-N 3.12Å; I275-R278 WeakPolarHBondContact O-CB 3.24Å; I275-R278 PolarHBondContact O-N 3.37Å; V276-R278 VanDerWaalsContact C-N 3.27Å; V276-R278 PolarHBondContact O-N 3.44Å; R278-D280 PolarHBondContact O-N 3.04Å; R278-E288 IonicContact NH2-OE1 3.3Å; R278-E288 PolarHBondContact NH2-OE1 3.13Å; R278-E288 IonicContact NH2-OE2 3.41Å; R278-E288 PolarHBondContact NH2-OE2 3.42Å
279L54.2Low62.2Low29 Ų2983.4 Ų83.415%0.15243%0.433CS..THydrogen-bonded Turntrans-68.2-11.4171.6-70.3174.1000113.2I275 V276 S277 R284 I292 L296I275-L279 PolarHBondContact O-N 2.93Å; V276-L279 WeakPolarHBondContact O-CA 3.3Å; V276-L279 WeakPolarHBondContact O-CB 3.09Å; V276-L279 PolarHBondContact O-N 3.48Å; S277-L279 VanDerWaalsContact C-N 3.26Å; S277-L279 PolarHBondContact O-N 2.84Å; L279-R284 PolarHBondContact O-NE 3.11Å; L279-R284 PolarHBondContact O-NH1 3.16Å; L279-R284 PolarHBondContact O-NH2 2.93Å; L279-R284 VanDerWaalsContact O-NH2 3.08Å; L279-I292 HydrophobicContact CD1-CG2 3.88Å; L279-I292 HydrophobicContact CD2-CB 3.92Å; L279-I292 HydrophobicContact CD2-CG2 3.67Å; L279-I292 HydrophobicContact CG-CG2 3.72Å; L279-L296 HydrophobicContact CD1-CD1 3.49Å; L279-L296 VanDerWaalsContact CD1-CD1 3.49Å
280D56.6Low63.8Low127 Ų12776.3 Ų76.368%0.67940%0.4SS*.THydrogen-bonded Turntrans-103.1-5.8-179.6-73.9-32.4000114.4S277 R278 R284S277-D280 PolarHBondContact O-N 2.79Å; R278-D280 PolarHBondContact O-N 3.04Å; D280-R284 VanDerWaalsContact C-NH2 3.26Å; D280-R284 PolarHBondContact O-NH2 2.81Å
281A62.2Low65.1Low50 Ų5068.6 Ų68.641%0.41336%0.364SS..  trans-67.3142.1-17600000114.2N283 R284A281-N283 PolarHBondContact O-N 2.94Å; A281-R284 WeakPolarHBondContact O-CG 3.43Å; A281-R284 PolarHBondContact O-NE 3.27Å; A281-R284 PolarHBondContact O-NH2 2.9Å
282E52.4Low65.9Low194 Ų19467.6 Ų67.691%0.90735%0.354SS*.SBendtrans-68.9-30.1-178-72-178.3158.900114.5R284E282-R284 PolarHBondContact O-N 2.75Å
283N55.8Low66.6Low167 Ų16774.1 Ų74.189%0.89338%0.376SS*.SBendtrans-96.547.8-176.2-74.6-20.1000113.5A281A281-N283 PolarHBondContact O-N 2.94Å
284R67.1Low67.4Low121 Ų12172.6 Ų72.646%0.45737%0.365SS..  trans-74.7143-171.7-97.1174.8-82.7-178.3-20.6114.2L279 D280 A281 E282L279-R284 PolarHBondContact O-NE 3.11Å; L279-R284 PolarHBondContact O-NH1 3.16Å; L279-R284 PolarHBondContact O-NH2 2.93Å; L279-R284 VanDerWaalsContact O-NH2 3.08Å; D280-R284 VanDerWaalsContact C-NH2 3.26Å; D280-R284 PolarHBondContact O-NH2 2.81Å; A281-R284 WeakPolarHBondContact O-CG 3.43Å; A281-R284 PolarHBondContact O-NE 3.27Å; A281-R284 PolarHBondContact O-NH2 2.9Å; E282-R284 PolarHBondContact O-N 2.75Å
285C80.8Confident67.8Low16 Ų1671.3 Ų71.311%0.10835%0.353CS..  trans-77124.3160.5176.40000109.4R194 L287 E288 A289R194-C285 PolarHBondContact NH1-SG 3.27Å; R194-C285 VanDerWaalsContact NH1-SG 3.38Å; C285-L287 VanDerWaalsContact C-N 3.26Å; C285-L287 PolarHBondContact O-N 3.29Å; C285-E288 HydrophobicContact CB-CB 4.05Å; C285-E288 HydrophobicContact CB-CG 3.79Å; C285-E288 PolarHBondContact O-N 3.15Å; C285-A289 PolarHBondContact O-N 2.69Å; C285-A289 VanDerWaalsContact O-N 3.16Å
286P81.9Confident67.9Low37 Ų3769.5 Ų69.524%0.2434%0.344CS..Hα-helixtrans-56.3-37.4-179.1-27.535.1000113.9A168 C171 L290A168-P286 HydrophobicContact CB-CG 4.11Å; C171-P286 HydrophobicContact CB-CB 3.99Å; P286-L290 WeakPolarHBondContact O-CB 3.33Å; P286-L290 PolarHBondContact O-N 2.88Å; P286-L290 VanDerWaalsContact O-N 3.1Å
287L85.5Confident68.2Low1 Ų170.5 Ų70.51%0.00535%0.346CS..Hα-helixtrans-69.1-45179.4-179.364.3000112.3L167 M186 W189 Y197 L201 C285 A289 L290 I291L167-L287 HydrophobicContact CD1-CB 4.05Å; L167-L287 HydrophobicContact CD2-CB 4.28Å; M186-L287 HydrophobicContact CE-CD1 3.53Å; W189-L287 HydrophobicContact CZ3-CD2 4.49Å; Y197-L287 HydrophobicContact CG-CD2 4.28Å; L201-L287 HydrophobicContact CD1-CD1 4.17Å; C285-L287 VanDerWaalsContact C-N 3.26Å; C285-L287 PolarHBondContact O-N 3.29Å; L287-A289 VanDerWaalsContact C-N 3.32Å; L287-A289 PolarHBondContact O-N 2.76Å; L287-L290 WeakPolarHBondContact O-CB 3.29Å; L287-L290 PolarHBondContact O-N 3.23Å; L287-I291 HydrophobicContact CD1-CD1 4.04Å; L287-I291 HydrophobicContact CD1-CG1 4.37Å; L287-I291 HydrophobicContact CG-CD1 3.89Å; L287-I291 WeakPolarHBondContact O-CG1 3.17Å; L287-I291 PolarHBondContact O-N 3.34Å
288E82.3Confident68Low42 Ų4268.8 Ų68.820%0.19633%0.331CS..Hα-helixtrans-59.3-46.1176.8-70.3-166.5141.800111.2Y197 R278 C285 L290 I291 I292Y197-E288 HydrophobicContact CD1-CG 4.44Å; Y197-E288 HydrophobicContact CE1-CG 3.54Å; Y197-E288 PolarHBondContact OH-OE1 2.68Å; R278-E288 IonicContact NH2-OE1 3.3Å; R278-E288 PolarHBondContact NH2-OE1 3.13Å; R278-E288 IonicContact NH2-OE2 3.41Å; R278-E288 PolarHBondContact NH2-OE2 3.42Å; C285-E288 HydrophobicContact CB-CB 4.05Å; C285-E288 HydrophobicContact CB-CG 3.79Å; C285-E288 PolarHBondContact O-N 3.15Å; E288-L290 VanDerWaalsContact C-N 3.29Å; E288-L290 PolarHBondContact O-N 3.48Å; E288-I291 PolarHBondContact O-N 3.33Å; E288-I292 WeakPolarHBondContact O-CB 3.34Å; E288-I292 VanDerWaalsContact O-CG1 3.26Å; E288-I292 WeakPolarHBondContact O-CG1 3.22Å; E288-I292 PolarHBondContact O-N 2.78Å
289A76.9Confident67.9Low19 Ų1962.9 Ų62.916%0.15732%0.315CS..Hα-helixtrans-61.5-39.6178.700000111.6C285 L287 R293C285-A289 PolarHBondContact O-N 2.69Å; C285-A289 VanDerWaalsContact O-N 3.16Å; L287-A289 VanDerWaalsContact C-N 3.32Å; L287-A289 PolarHBondContact O-N 2.76Å; A289-R293 WeakPolarHBondContact O-CB 3.42Å; A289-R293 PolarHBondContact O-N 3Å; A289-R293 VanDerWaalsContact O-N 3.08Å
290L80.3Confident67.7Low16 Ų1664.1 Ų64.18%0.08433%0.329CS..Hα-helixtrans-64.2-48.8177.3-170.170.3000111.7W174 R175 M186 M204 P286 L287 E288 R294W174-L290 HydrophobicContact CD2-CD2 4.29Å; W174-L290 HydrophobicContact CE3-CD1 3.95Å; W174-L290 HydrophobicContact CE3-CD2 3.74Å; W174-L290 HydrophobicContact CE3-CG 4.26Å; W174-L290 HydrophobicContact CZ3-CD1 3.91Å; W174-L290 HydrophobicContact CZ3-CD2 4.15Å; W174-L290 HydrophobicContact CZ3-CG 4.23Å; R175-L290 HydrophobicContact CG-CD1 3.68Å; M186-L290 HydrophobicContact CE-CD2 3.84Å; M204-L290 HydrophobicContact CE-CB 4.38Å; M204-L290 HydrophobicContact CE-CD2 3.57Å; M204-L290 HydrophobicContact CE-CG 3.73Å; M204-L290 HydrophobicContact SD-CG 4.49Å; P286-L290 WeakPolarHBondContact O-CB 3.33Å; P286-L290 PolarHBondContact O-N 2.88Å; P286-L290 VanDerWaalsContact O-N 3.1Å; L287-L290 WeakPolarHBondContact O-CB 3.29Å; L287-L290 PolarHBondContact O-N 3.23Å; E288-L290 VanDerWaalsContact C-N 3.29Å; E288-L290 PolarHBondContact O-N 3.48Å; L290-R294 PolarHBondContact O-N 3.21Å
291I79.3Confident67.3Low5 Ų559.9 Ų59.93%0.02631%0.306CS..Hα-helixtrans-61-53.5179-69.9168.6000110.7Y197 L200 M204 L287 E288 R293 R294 L295Y197-I291 HydrophobicContact CD1-CD1 4.05Å; L200-I291 HydrophobicContact CB-CD1 4.1Å; L200-I291 HydrophobicContact CB-CG2 3.97Å; M204-I291 HydrophobicContact CE-CG1 3.8Å; L287-I291 HydrophobicContact CD1-CD1 4.04Å; L287-I291 HydrophobicContact CD1-CG1 4.37Å; L287-I291 HydrophobicContact CG-CD1 3.89Å; L287-I291 WeakPolarHBondContact O-CG1 3.17Å; L287-I291 PolarHBondContact O-N 3.34Å; E288-I291 PolarHBondContact O-N 3.33Å; I291-R293 PolarHBondContact O-N 2.92Å; I291-R294 PolarHBondContact O-N 3.16Å; I291-L295 HydrophobicContact CG2-CD1 3.68Å; I291-L295 HydrophobicContact CG2-CG 4.3Å; I291-L295 WeakPolarHBondContact O-CG 3.4Å; I291-L295 PolarHBondContact O-N 3.31Å
292I72.1Confident66.6Low34 Ų3460.7 Ų60.717%0.17430%0.301CS..Hα-helixtrans-60.9-46.3-176.3-68168.9000110.5I275 L279 E288 R294 L295 L296I275-I292 HydrophobicContact CG2-CD1 4.34Å; I275-I292 HydrophobicContact CG2-CG1 4.31Å; I275-I292 HydrophobicContact CG2-CG2 3.43Å; I275-I292 VanDerWaalsContact CG2-CG2 3.43Å; L279-I292 HydrophobicContact CD1-CG2 3.88Å; L279-I292 HydrophobicContact CD2-CB 3.92Å; L279-I292 HydrophobicContact CD2-CG2 3.67Å; L279-I292 HydrophobicContact CG-CG2 3.72Å; E288-I292 WeakPolarHBondContact O-CB 3.34Å; E288-I292 VanDerWaalsContact O-CG1 3.26Å; E288-I292 WeakPolarHBondContact O-CG1 3.22Å; E288-I292 PolarHBondContact O-N 2.78Å; I292-R294 PolarHBondContact O-N 3.02Å; I292-L295 PolarHBondContact O-N 2.93Å; I292-L296 HydrophobicContact CG2-CD1 3.71Å; I292-L296 HydrophobicContact CG2-CG 4.16Å; I292-L296 WeakPolarHBondContact O-CB 3.47Å; I292-L296 VanDerWaalsContact O-CG 3.31Å; I292-L296 WeakPolarHBondContact O-CG 3.49Å; I292-L296 PolarHBondContact O-N 3.44Å
293R67.4Low66.2Low179 Ų17956.4 Ų56.468%0.67529%0.287SS*.Hα-helixtrans-60.2-36.8-178.3-163.1174.5-165.7165.13.3111.7A289 I291 I297A289-R293 WeakPolarHBondContact O-CB 3.42Å; A289-R293 PolarHBondContact O-N 3Å; A289-R293 VanDerWaalsContact O-N 3.08Å; I291-R293 PolarHBondContact O-N 2.92Å; R293-I297 WeakPolarHBondContact O-CD1 3.5Å; R293-I297 VanDerWaalsContact O-CG1 3.26Å; R293-I297 WeakPolarHBondContact O-CG1 3.38Å; R293-I297 PolarHBondContact O-N 3.39Å
294R70Confident65.3Low68 Ų6854.8 Ų54.826%0.25728%0.275SS..Hα-helixtrans-76.8-43.1178.4-163.369.4-178.6179.45.1112.8M204 A207 L290 I291 I292 L296 I297 Q298M204-R294 HydrophobicContact CG-CB 3.67Å; M204-R294 HydrophobicContact CG-CG 3.91Å; A207-R294 HydrophobicContact CB-CG 4.42Å; A207-R294 PolarHBondContact O-NH2 2.63Å; L290-R294 PolarHBondContact O-N 3.21Å; I291-R294 PolarHBondContact O-N 3.16Å; I292-R294 PolarHBondContact O-N 3.02Å; R294-L296 VanDerWaalsContact C-N 3.28Å; R294-L296 PolarHBondContact O-N 3.08Å; R294-I297 WeakPolarHBondContact O-CB 3.41Å; R294-I297 PolarHBondContact O-N 3.2Å; R294-Q298 PolarHBondContact O-N 3.11Å
295L66Low63.9Low54 Ų5451.5 Ų51.528%0.28326%0.264SS..Hα-helixtrans-63.3-35.1176.4-68.2177.3000111.8I291 I292 Q298 A299I291-L295 HydrophobicContact CG2-CD1 3.68Å; I291-L295 HydrophobicContact CG2-CG 4.3Å; I291-L295 WeakPolarHBondContact O-CG 3.4Å; I291-L295 PolarHBondContact O-N 3.31Å; I292-L295 PolarHBondContact O-N 2.93Å; L295-Q298 PolarHBondContact O-N 3.39Å; L295-A299 PolarHBondContact O-N 3.28Å
296L61.3Low61.6Low35 Ų3560.4 Ų60.418%0.18330%0.304CS..Hα-helixtrans-66.2-41.1172.4-74.8173000112.8L272 V276 L279 I292 R294 Q298 A299 A300L272-L296 HydrophobicContact CD1-CD2 4.39Å; L272-L296 HydrophobicContact CD2-CD2 3.75Å; L272-L296 HydrophobicContact CG-CD2 4.47Å; V276-L296 HydrophobicContact CG2-CD1 3.98Å; V276-L296 HydrophobicContact CG2-CD2 4.33Å; L279-L296 HydrophobicContact CD1-CD1 3.49Å; L279-L296 VanDerWaalsContact CD1-CD1 3.49Å; I292-L296 HydrophobicContact CG2-CD1 3.71Å; I292-L296 HydrophobicContact CG2-CG 4.16Å; I292-L296 WeakPolarHBondContact O-CB 3.47Å; I292-L296 VanDerWaalsContact O-CG 3.31Å; I292-L296 WeakPolarHBondContact O-CG 3.49Å; I292-L296 PolarHBondContact O-N 3.44Å; R294-L296 VanDerWaalsContact C-N 3.28Å; R294-L296 PolarHBondContact O-N 3.08Å; L296-Q298 PolarHBondContact O-N 3.3Å; L296-A299 PolarHBondContact O-N 3.04Å; L296-A300 WeakPolarHBondContact O-CB 3.09Å; L296-A300 PolarHBondContact O-N 3.44Å
297I60.5Low59.3Low73 Ų7362.6 Ų62.637%0.37432%0.316SS..Hα-helixtrans-57.3-42.9173.2-71.5163.5000109.6R293 R294 A300 N301R293-I297 WeakPolarHBondContact O-CD1 3.5Å; R293-I297 VanDerWaalsContact O-CG1 3.26Å; R293-I297 WeakPolarHBondContact O-CG1 3.38Å; R293-I297 PolarHBondContact O-N 3.39Å; R294-I297 WeakPolarHBondContact O-CB 3.41Å; R294-I297 PolarHBondContact O-N 3.2Å; I297-A300 PolarHBondContact O-N 2.94Å; I297-N301 PolarHBondContact O-N 2.97Å; I297-N301 PolarHBondContact O-ND2 3.47Å
298Q57.1Low56.7Low29 Ų2968 Ų6814%0.13635%0.349CS..Hα-helixtrans-66-44.7176.8-69.1-159.5-53.700113.8A207 R294 L295 L296 A300 N301 F302A207-Q298 VanDerWaalsContact CA-NE2 3.26Å; A207-Q298 HydrophobicContact CB-CG 4.03Å; R294-Q298 PolarHBondContact O-N 3.11Å; L295-Q298 PolarHBondContact O-N 3.39Å; L296-Q298 PolarHBondContact O-N 3.3Å; Q298-A300 PolarHBondContact O-N 2.86Å; Q298-N301 WeakPolarHBondContact O-CB 3.41Å; Q298-N301 PolarHBondContact O-N 3.21Å; Q298-F302 PolarHBondContact O-N 3.43Å
299A55.6Low54.1Low25 Ų2574.3 Ų74.321%0.20738%0.379CS..Hα-helixtrans-57.9-41.317600000111.2P267 L295 L296 N301 F302 T303P267-A299 HydrophobicContact CG-CB 4.17Å; L295-A299 PolarHBondContact O-N 3.28Å; L296-A299 PolarHBondContact O-N 3.04Å; A299-N301 VanDerWaalsContact C-N 3.35Å; A299-N301 PolarHBondContact O-N 3.38Å; A299-F302 VanDerWaalsContact O-CB 3.27Å; A299-F302 WeakPolarHBondContact O-CB 3.15Å; A299-F302 PolarHBondContact O-N 3.39Å; A299-T303 PolarHBondContact O-N 2.91Å
300A51.3Low51.9Low55 Ų5578.9 Ų78.946%0.45541%0.407SS..Hα-helixtrans-66.5-32.1174.900000113.4L296 I297 Q298 F302 T303L296-A300 WeakPolarHBondContact O-CB 3.09Å; L296-A300 PolarHBondContact O-N 3.44Å; I297-A300 PolarHBondContact O-N 2.94Å; Q298-A300 PolarHBondContact O-N 2.86Å; A300-F302 VanDerWaalsContact C-N 3.33Å; A300-T303 PolarHBondContact O-OG1 3.47Å
301N48.5Very low49.5Very low37 Ų3784.9 Ų84.920%0.19844%0.435CS..Hα-helixtrans-72.5-29.8173.3-60.5-42.3000112.2P217 I297 Q298 A299 T303 E304 K305P217-N301 HydrophobicContact CB-CB 4.46Å; P217-N301 VanDerWaalsContact CB-ND2 3.28Å; P217-N301 WeakPolarHBondContact CB-ND2 3.26Å; P217-N301 HydrophobicContact CG-CB 4.12Å; P217-N301 WeakPolarHBondContact CG-ND2 3.46Å; P217-N301 VanDerWaalsContact CG-OD1 3.3Å; P217-N301 WeakPolarHBondContact CG-OD1 3.47Å; I297-N301 PolarHBondContact O-N 2.97Å; I297-N301 PolarHBondContact O-ND2 3.47Å; Q298-N301 WeakPolarHBondContact O-CB 3.41Å; Q298-N301 PolarHBondContact O-N 3.21Å; A299-N301 VanDerWaalsContact C-N 3.35Å; A299-N301 PolarHBondContact O-N 3.38Å; N301-T303 VanDerWaalsContact C-N 3.28Å; N301-T303 PolarHBondContact O-N 2.97Å; N301-E304 PolarHBondContact O-N 3.36Å; N301-E304 VanDerWaalsContact O-N 3.08Å; N301-K305 PolarHBondContact O-N 3.41Å
302F47.4Very low47.2Very low68 Ų6890.3 Ų90.330%0.29847%0.47SS..Hα-helixtrans-63.4-35.5178.9-141.2-82000111.8L219 V262 Q298 A299 A300 E304L219-F302 HydrophobicContact CD1-CD1 4.39Å; L219-F302 HydrophobicContact CD1-CD2 3.51Å; L219-F302 HydrophobicContact CD1-CE1 4.14Å; L219-F302 HydrophobicContact CD1-CE2 3.21Å; L219-F302 HydrophobicContact CD1-CG 4.08Å; L219-F302 HydrophobicContact CD1-CZ 3.52Å; L219-F302 HydrophobicContact CD2-CE2 4.01Å; L219-F302 HydrophobicContact CD2-CZ 4.02Å; L219-F302 HydrophobicContact CG-CD2 4.17Å; L219-F302 HydrophobicContact CG-CE2 3.54Å; L219-F302 HydrophobicContact CG-CZ 3.99Å; V262-F302 HydrophobicContact CG1-CD2 4.38Å; V262-F302 HydrophobicContact CG1-CE1 4.05Å; V262-F302 HydrophobicContact CG1-CE2 3.29Å; V262-F302 HydrophobicContact CG1-CZ 3.11Å; Q298-F302 PolarHBondContact O-N 3.43Å; A299-F302 VanDerWaalsContact O-CB 3.27Å; A299-F302 WeakPolarHBondContact O-CB 3.15Å; A299-F302 PolarHBondContact O-N 3.39Å; A300-F302 VanDerWaalsContact C-N 3.33Å; F302-E304 PolarHBondContact O-N 3.3Å
303T43.6Very low45.3Very low103 Ų10396.6 Ų96.663%0.63250%0.499SS*.THydrogen-bonded Turntrans-69.8-17174.141.20000113.8A299 A300 N301A299-T303 PolarHBondContact O-N 2.91Å; A300-T303 PolarHBondContact O-OG1 3.47Å; N301-T303 VanDerWaalsContact C-N 3.28Å; N301-T303 PolarHBondContact O-N 2.97Å
304E37.4Very low43.8Very low133 Ų13390.2 Ų90.262%0.62148%0.481SS*.THydrogen-bonded Turntrans-104.3-11.9-174.8-89.8-165.1-169.900115.7K216 N301 F302K216-E304 IonicContact NZ-OE2 2.96Å; K216-E304 PolarHBondContact NZ-OE2 2.93Å; N301-E304 PolarHBondContact O-N 3.36Å; N301-E304 VanDerWaalsContact O-N 3.08Å; F302-E304 PolarHBondContact O-N 3.3Å
305K36.3Very low42.4Very low52 Ų5295.5 Ų95.523%0.22651%0.508CS..  trans-148.298.7-171.9-77.2-170.4176.1-1310114.8K216 N301 T307K216-K305 HydrophobicContact CD-CD 4.35Å; N301-K305 PolarHBondContact O-N 3.41Å; K305-T307 VanDerWaalsContact C-N 3.31Å; K305-T307 PolarHBondContact O-N 3.14Å
306Q32.9Very low41.1Very low203 Ų20395.9 Ų95.995%0.94951%0.514SS*.  trans-80.678.3148-70.1-175.4-0.400108.8
307T32.9Very low40Very low83 Ų8399.3 Ų99.351%0.50953%0.53SS..  trans-144.287.517138.50000110.5K305K305-T307 VanDerWaalsContact C-N 3.31Å; K305-T307 PolarHBondContact O-N 3.14Å
308V32.8Very low39.2Very low115 Ų11597.7 Ų97.770%0.69753%0.525SS*.  trans-96.1126.5156.7179.90000104.9L219L219-V308 HydrophobicContact CD2-CG2 4.4Å
309E27.6Very low38.9Very low175 Ų17598.9 Ų98.982%0.81853%0.533SS*.  trans-45.4128.8168.8-80.5-177.4146.100108.3E311E309-E311 PolarHBondContact O-N 3.26Å
310P29.1Very low39Very low115 Ų11599.9 Ų99.975%0.74754%0.536SS*.  trans-60.9111.8174.323.4-29.1000106.7
311E30.5Very low39.2Very low142 Ų142101.6 Ų101.666%0.66454%0.537SS*.  trans-45.7135.2156.1-84.2-174.9152.500105.8E309 Q313E309-E311 PolarHBondContact O-N 3.26Å; E311-Q313 PolarHBondContact O-N 3.33Å
312P30.7Very low39.5Very low119 Ų119104.2 Ų104.277%0.77355%0.548SS*.  trans-51111.2179.520-30.6000106.7P314P312-P314 VanDerWaalsContact O-CD 3.24Å; P312-P314 WeakPolarHBondContact O-CD 3.4Å
313Q32.8Very low40Very low166 Ų166104.6 Ų104.678%0.77655%0.547SS*.  trans-52.1115.4-177.4-77.4-175.1-9.300105E311 Q315E311-Q313 PolarHBondContact O-N 3.33Å; Q313-Q315 PolarHBondContact O-N 2.96Å; Q313-Q315 VanDerWaalsContact O-N 3.11Å
314P36Very low41Very low45 Ų45104.1 Ų104.129%0.29254%0.537SS..PPolyproline II helixtrans-56.3130.417521.1-27.5000105.2P312 P316 Y644P312-P314 VanDerWaalsContact O-CD 3.24Å; P312-P314 WeakPolarHBondContact O-CD 3.4Å; P314-P316 VanDerWaalsContact O-N 3.11Å; P314-Y644 VanDerWaalsContact CG-O 3.28Å; P314-Y644 WeakPolarHBondContact CG-O 3.46Å
315Q40.8Very low42.2Very low178 Ų178100.7 Ų100.783%0.83253%0.531SS*.PPolyproline II helixtrans-48.2128.8171.8-77.5-172.6-16.300106.5Q313 M317Q313-Q315 PolarHBondContact O-N 2.96Å; Q313-Q315 VanDerWaalsContact O-N 3.11Å; Q315-M317 PolarHBondContact O-N 3.49Å
316P37.2Very low43.5Very low62 Ų62102.9 Ų102.940%0.40355%0.545SS..PPolyproline II helixtrans-53.1131.5-175.118.1-29.3000108.4P314 P318 R643 Y644P314-P316 VanDerWaalsContact O-N 3.11Å; P316-P318 VanDerWaalsContact O-CD 3.3Å; P316-P318 WeakPolarHBondContact O-CD 3.49Å; P316-P318 VanDerWaalsContact O-N 3.11Å; P316-R643 WeakPolarHBondContact CA-O 3.42Å; P316-R643 HydrophobicContact CB-CG 3.8Å; P316-R643 VanDerWaalsContact CB-O 3.32Å; P316-R643 WeakPolarHBondContact CB-O 3.39Å; P316-Y644 HydrophobicContact CB-CD1 4.14Å; P316-Y644 HydrophobicContact CB-CE1 4.24Å; P316-Y644 HydrophobicContact CG-CE1 4.46Å
317M40Very low44.9Very low107 Ų10796.1 Ų96.153%0.52751%0.514SS..PPolyproline II helixtrans-59.3122173.6-83.2-126.3-6600106.5Q315 V319 R643 P646Q315-M317 PolarHBondContact O-N 3.49Å; M317-V319 PolarHBondContact O-N 3.31Å; M317-R643 PolarHBondContact N-O 2.81Å; M317-P646 HydrophobicContact CE-CB 4.37Å; M317-P646 HydrophobicContact CG-CB 4.2Å; M317-P646 HydrophobicContact CG-CG 4.2Å
318P42.5Very low46.4Very low40 Ų4096.4 Ų96.426%0.2653%0.525SS..PPolyproline II helixtrans-61.4127.9178-10.821.2000107.7P316 E322 W323P316-P318 VanDerWaalsContact O-CD 3.3Å; P316-P318 WeakPolarHBondContact O-CD 3.49Å; P316-P318 VanDerWaalsContact O-N 3.11Å; P318-E322 WeakPolarHBondContact CA-OE2 3.44Å; P318-E322 HydrophobicContact CB-CB 3.71Å; P318-W323 HydrophobicContact CB-CB 4.17Å; P318-W323 HydrophobicContact CB-CG 4.13Å; P318-W323 VanDerWaalsContact CG-CD1 3.49Å; P318-W323 HydrophobicContact CG-CG 4.34Å
319V51.7Low47.9Very low53 Ų5394.3 Ų94.332%0.32153%0.527SS..PPolyproline II helixtrans-58.6151170.1-168.90000107.8M317 D321 E322 W323M317-V319 PolarHBondContact O-N 3.31Å; V319-D321 CarbonylContact O-C 3.6Å; V319-D321 PolarHBondContact O-N 2.89Å; V319-E322 HydrophobicContact CB-CG 4.49Å; V319-E322 PolarHBondContact N-OE2 2.71Å; V319-E322 CarbonylContact O-C 3.58Å; V319-E322 VanDerWaalsContact O-CA 3.31Å; V319-E322 WeakPolarHBondContact O-CA 3.25Å; V319-E322 WeakPolarHBondContact O-CB 3.47Å; V319-E322 PolarHBondContact O-N 3.32Å; V319-W323 PolarHBondContact O-N 3.15Å
320D56.5Low49.9Very low47 Ų4787.5 Ų87.525%0.25150%0.504SS..Hα-helixtrans-45.9-37.1-175.8-82.4-39.4000114.6W323 K324 Y705D320-W323 PolarHBondContact O-N 3.31Å; D320-K324 VanDerWaalsContact O-CB 3.25Å; D320-K324 WeakPolarHBondContact O-CB 3.31Å; D320-K324 WeakPolarHBondContact O-CG 3.32Å; D320-K324 PolarHBondContact O-N 3.49Å; D320-Y705 PolarHBondContact OD2-OH 3.2Å
321D55.6Low52.4Low91 Ų9185.9 Ų85.949%0.48750%0.495SS..Hα-helixtrans-69-38.5176.9-60.6-54.7000112.2V319 A325 R673V319-D321 CarbonylContact O-C 3.6Å; V319-D321 PolarHBondContact O-N 2.89Å; D321-A325 VanDerWaalsContact O-CB 3.24Å; D321-A325 WeakPolarHBondContact O-CB 3.46Å; D321-A325 PolarHBondContact O-N 3.3Å; D321-R673 IonicContact OD2-CZ 3.69Å; D321-R673 IonicContact OD2-NH1 3.58Å; D321-R673 PolarHBondContact OD2-NH1 2.78Å; D321-R673 VanDerWaalsContact OD2-NH1 3.08Å; D321-R673 IonicContact OD2-NH2 2.88Å
322E55.7Low54.9Low92 Ų9283.3 Ų83.343%0.4348%0.483SS..Hα-helixtrans-70.6-34.3170-64.1174.8164.600111.8P318 V319 A325 L326P318-E322 WeakPolarHBondContact CA-OE2 3.44Å; P318-E322 HydrophobicContact CB-CB 3.71Å; V319-E322 HydrophobicContact CB-CG 4.49Å; V319-E322 PolarHBondContact N-OE2 2.71Å; V319-E322 CarbonylContact O-C 3.58Å; V319-E322 VanDerWaalsContact O-CA 3.31Å; V319-E322 WeakPolarHBondContact O-CA 3.25Å; V319-E322 WeakPolarHBondContact O-CB 3.47Å; V319-E322 PolarHBondContact O-N 3.32Å; E322-A325 CarbonylContact O-C 3.5Å; E322-A325 PolarHBondContact O-N 2.84Å; E322-L326 WeakPolarHBondContact O-CB 3.3Å; E322-L326 PolarHBondContact O-N 3.46Å
323W57.7Low57.5Low75 Ų7580.9 Ų80.928%0.28446%0.459SS..Hα-helixtrans-68.2-43.6175.6-13299.8000110.4P318 V319 D320 A325 L326 I327 T338P318-W323 HydrophobicContact CB-CB 4.17Å; P318-W323 HydrophobicContact CB-CG 4.13Å; P318-W323 VanDerWaalsContact CG-CD1 3.49Å; P318-W323 HydrophobicContact CG-CG 4.34Å; V319-W323 PolarHBondContact O-N 3.15Å; D320-W323 PolarHBondContact O-N 3.31Å; W323-A325 VanDerWaalsContact C-N 3.34Å; W323-L326 PolarHBondContact O-N 3.09Å; W323-I327 HydrophobicContact CE3-CD1 3.42Å; W323-I327 VanDerWaalsContact CE3-CD1 3.42Å; W323-I327 HydrophobicContact CE3-CG1 3.83Å; W323-I327 HydrophobicContact CZ3-CD1 3.6Å; W323-I327 HydrophobicContact CZ3-CG1 3.99Å; W323-I327 WeakPolarHBondContact O-CB 3.24Å; W323-I327 VanDerWaalsContact O-CG1 3.23Å; W323-I327 WeakPolarHBondContact O-CG1 3.23Å; W323-I327 PolarHBondContact O-N 3.34Å; W323-T338 HydrophobicContact CE3-CG2 4.22Å; W323-T338 HydrophobicContact CH2-CG2 3.28Å; W323-T338 HydrophobicContact CZ3-CG2 3.1Å
324K64.7Low59.9Low94 Ų9474.1 Ų74.141%0.40943%0.433SS..Hα-helixtrans-62.6-40.2170.7-75172-176.5177.90110.8D320 A328 D701D320-K324 VanDerWaalsContact O-CB 3.25Å; D320-K324 WeakPolarHBondContact O-CB 3.31Å; D320-K324 WeakPolarHBondContact O-CG 3.32Å; D320-K324 PolarHBondContact O-N 3.49Å; K324-A328 WeakPolarHBondContact O-CB 3.48Å; K324-A328 PolarHBondContact O-N 2.94Å; K324-D701 VanDerWaalsContact NZ-CG 3.29Å; K324-D701 IonicContact NZ-OD1 2.96Å; K324-D701 PolarHBondContact NZ-OD1 2.82Å; K324-D701 IonicContact NZ-OD2 3.67Å; K324-D701 PolarHBondContact NZ-OD2 3.34Å
325A62.7Low62.3Low61 Ų6175.1 Ų75.150%0.50444%0.436SS..Hα-helixtrans-68.1-39.2175.100000112.6D321 E322 W323 A328 G329D321-A325 VanDerWaalsContact O-CB 3.24Å; D321-A325 WeakPolarHBondContact O-CB 3.46Å; D321-A325 PolarHBondContact O-N 3.3Å; E322-A325 CarbonylContact O-C 3.5Å; E322-A325 PolarHBondContact O-N 2.84Å; W323-A325 VanDerWaalsContact C-N 3.34Å; A325-A328 PolarHBondContact O-N 2.9Å; A325-G329 PolarHBondContact O-N 3.34Å
326L62.2Low64.5Low98 Ų9866.9 Ų66.951%0.51340%0.397SS..Hα-helixtrans-66.9-39.4176.3-173.8117.6000111E322 W323 G330E322-L326 WeakPolarHBondContact O-CB 3.3Å; E322-L326 PolarHBondContact O-N 3.46Å; W323-L326 PolarHBondContact O-N 3.09Å; L326-G330 VanDerWaalsContact O-CA 3.25Å; L326-G330 WeakPolarHBondContact O-CA 3.37Å; L326-G330 PolarHBondContact O-N 3.42Å
327I63.5Low66.9Low60 Ų6066.2 Ų66.231%0.30839%0.387SS..Hα-helixtrans-60.5-52.1167.4-74.2172.2000109.8W323 G329 G330 L335 T338W323-I327 HydrophobicContact CE3-CD1 3.42Å; W323-I327 VanDerWaalsContact CE3-CD1 3.42Å; W323-I327 HydrophobicContact CE3-CG1 3.83Å; W323-I327 HydrophobicContact CZ3-CD1 3.6Å; W323-I327 HydrophobicContact CZ3-CG1 3.99Å; W323-I327 WeakPolarHBondContact O-CB 3.24Å; W323-I327 VanDerWaalsContact O-CG1 3.23Å; W323-I327 WeakPolarHBondContact O-CG1 3.23Å; W323-I327 PolarHBondContact O-N 3.34Å; I327-G329 VanDerWaalsContact C-N 3.31Å; I327-G329 PolarHBondContact O-N 2.98Å; I327-G330 PolarHBondContact O-N 3.19Å; I327-G330 VanDerWaalsContact O-N 3.12Å; I327-L335 HydrophobicContact CB-CD2 4.06Å; I327-L335 HydrophobicContact CG1-CD2 4.36Å; I327-L335 HydrophobicContact CG2-CD2 3.42Å; I327-L335 VanDerWaalsContact CG2-CD2 3.42Å; I327-L335 WeakPolarHBondContact O-CD2 3.28Å; I327-T338 HydrophobicContact CD1-CG2 3.96Å; I327-T338 HydrophobicContact CG1-CG2 3.81Å
328A64.5Low69Low89 Ų8962.4 Ų62.474%0.73637%0.37SS*.Hα-helixtrans-65.5-32.6-17400000113.2K324 A325K324-A328 WeakPolarHBondContact O-CB 3.48Å; K324-A328 PolarHBondContact O-N 2.94Å; A325-A328 PolarHBondContact O-N 2.9Å
329G64.3Low71.1Confident72 Ų7264.2 Ų64.274%0.74238%0.375SS*.THydrogen-bonded Turntrans-92.5-4.3174.500000114.3A325 I327A325-G329 PolarHBondContact O-N 3.34Å; I327-G329 VanDerWaalsContact C-N 3.31Å; I327-G329 PolarHBondContact O-N 2.98Å
330G69.1Low72.9Confident31 Ų3162 Ų6232%0.3236%0.361SS..SBendtrans-73.4150.7-171.900000113.6L326 I327L326-G330 VanDerWaalsContact O-CA 3.25Å; L326-G330 WeakPolarHBondContact O-CA 3.37Å; L326-G330 PolarHBondContact O-N 3.42Å; I327-G330 PolarHBondContact O-N 3.19Å; I327-G330 VanDerWaalsContact O-N 3.12Å
331S81.8Confident74.4Confident81 Ų8163.3 Ų63.357%0.56637%0.371SS*.  trans-62.5154165.268.10000110.5R333 G334 L335S331-R333 PolarHBondContact O-N 2.58Å; S331-R333 VanDerWaalsContact O-N 3.11Å; S331-G334 WeakPolarHBondContact O-CA 3.36Å; S331-G334 PolarHBondContact O-N 3.27Å; S331-G334 PolarHBondContact OG-N 2.99Å; S331-G334 VanDerWaalsContact OG-N 3.12Å; S331-L335 PolarHBondContact O-N 3.46Å; S331-L335 VanDerWaalsContact O-N 3.07Å
332E83.7Confident75.8Confident89 Ų8960.6 Ų60.642%0.41636%0.361SS..Hα-helixtrans-52.6-36.5174.5-177.3-174.9-168.400111.8L335 I336 N419 R423E332-L335 WeakPolarHBondContact O-CB 3.48Å; E332-L335 PolarHBondContact O-N 3.03Å; E332-I336 WeakPolarHBondContact O-CG1 3.3Å; E332-I336 PolarHBondContact O-N 3.14Å; E332-N419 HydrophobicContact CG-CB 4.45Å; E332-N419 PolarHBondContact OE2-ND2 2.81Å; E332-R423 IonicContact OE1-CZ 3.45Å; E332-R423 IonicContact OE1-NH1 3.76Å; E332-R423 PolarHBondContact OE1-NH1 3.18Å; E332-R423 IonicContact OE1-NH2 3.41Å; E332-R423 PolarHBondContact OE1-NH2 3.28Å
333R84.8Confident77.3Confident68 Ų6857.1 Ų57.126%0.25734%0.344SS..Hα-helixtrans-65-39.2175.4-166.1166.7-175.2151.42.6112.7S331 I336 Y337 S414 C416 L422S331-R333 PolarHBondContact O-N 2.58Å; S331-R333 VanDerWaalsContact O-N 3.11Å; R333-I336 PolarHBondContact O-N 3.43Å; R333-Y337 HydrophobicContact CG-CD2 4.37Å; R333-Y337 HydrophobicContact CG-CE2 3.77Å; R333-Y337 PolarHBondContact NE-OH 2.88Å; R333-Y337 PolarHBondContact NH2-OH 3.33Å; R333-Y337 WeakPolarHBondContact O-CD2 3.38Å; R333-Y337 PolarHBondContact O-N 3.34Å; R333-S414 PolarHBondContact NH2-O 3.43Å; R333-C416 PolarHBondContact NH1-O 3.05Å; R333-C416 PolarHBondContact NH2-O 3.03Å; R333-L422 HydrophobicContact CG-CD2 3.59Å
334G83.7Confident78.8Confident23 Ų2353.7 Ų53.724%0.23733%0.332CS..Hα-helixtrans-60-43.817300000112.1S331 I336 Y337 T338S331-G334 WeakPolarHBondContact O-CA 3.36Å; S331-G334 PolarHBondContact O-N 3.27Å; S331-G334 PolarHBondContact OG-N 2.99Å; S331-G334 VanDerWaalsContact OG-N 3.12Å; G334-I336 VanDerWaalsContact C-N 3.3Å; G334-I336 PolarHBondContact O-N 2.95Å; G334-Y337 PolarHBondContact O-N 3.49Å; G334-T338 WeakPolarHBondContact O-CB 3.07Å; G334-T338 PolarHBondContact O-N 3.19Å; G334-T338 PolarHBondContact O-OG1 2.96Å
335L85Confident79.9Confident67 Ų6751.3 Ų51.335%0.35133%0.33SS..Hα-helixtrans-59.4-39.6176-67.3175.6000112.6I327 S331 E332 T338 Q339I327-L335 HydrophobicContact CB-CD2 4.06Å; I327-L335 HydrophobicContact CG1-CD2 4.36Å; I327-L335 HydrophobicContact CG2-CD2 3.42Å; I327-L335 VanDerWaalsContact CG2-CD2 3.42Å; I327-L335 WeakPolarHBondContact O-CD2 3.28Å; S331-L335 PolarHBondContact O-N 3.46Å; S331-L335 VanDerWaalsContact O-N 3.07Å; E332-L335 WeakPolarHBondContact O-CB 3.48Å; E332-L335 PolarHBondContact O-N 3.03Å; L335-T338 WeakPolarHBondContact O-CB 3.49Å; L335-T338 PolarHBondContact O-N 3.48Å; L335-Q339 WeakPolarHBondContact O-CB 3.4Å; L335-Q339 PolarHBondContact O-N 3.05Å
336I87.1Confident81Confident4 Ų450.3 Ų50.32%0.02132%0.315CS..Hα-helixtrans-63.1-45.6176.8-64.3163.9000110.7E332 R333 G334 Q339 F340 N419 L422 R423 L426E332-I336 WeakPolarHBondContact O-CG1 3.3Å; E332-I336 PolarHBondContact O-N 3.14Å; R333-I336 PolarHBondContact O-N 3.43Å; G334-I336 VanDerWaalsContact C-N 3.3Å; G334-I336 PolarHBondContact O-N 2.95Å; I336-Q339 PolarHBondContact O-N 3.08Å; I336-F340 PolarHBondContact O-N 2.83Å; I336-N419 HydrophobicContact CD1-CB 3.84Å; I336-N419 VanDerWaalsContact CD1-O 3.24Å; I336-N419 WeakPolarHBondContact CD1-O 3.47Å; I336-L422 HydrophobicContact CB-CD2 4.5Å; I336-L422 HydrophobicContact CD1-CD2 4.26Å; I336-L422 HydrophobicContact CG2-CD2 4.2Å; I336-L422 HydrophobicContact CG2-CG 4.04Å; I336-R423 HydrophobicContact CD1-CB 3.96Å; I336-R423 HydrophobicContact CG1-CB 4.14Å; I336-R423 HydrophobicContact CG1-CG 4.47Å; I336-R423 HydrophobicContact CG2-CB 4.3Å; I336-L426 HydrophobicContact CG2-CD1 3.98Å
337Y88.3Confident82.2Confident49 Ų4945.9 Ų45.919%0.19229%0.292CS..Hα-helixtrans-66.8-39.7177.5-64.6-42.5000112.6R333 G334 Q339 F340 V341 Y410 L422 L426R333-Y337 HydrophobicContact CG-CD2 4.37Å; R333-Y337 HydrophobicContact CG-CE2 3.77Å; R333-Y337 PolarHBondContact NE-OH 2.88Å; R333-Y337 PolarHBondContact NH2-OH 3.33Å; R333-Y337 WeakPolarHBondContact O-CD2 3.38Å; R333-Y337 PolarHBondContact O-N 3.34Å; G334-Y337 PolarHBondContact O-N 3.49Å; Y337-Q339 VanDerWaalsContact C-N 3.33Å; Y337-Q339 PolarHBondContact O-N 2.96Å; Y337-F340 WeakPolarHBondContact O-CB 3.37Å; Y337-F340 PolarHBondContact O-N 3.14Å; Y337-V341 WeakPolarHBondContact O-CG2 3.37Å; Y337-V341 PolarHBondContact O-N 3.49Å; Y337-Y410 HydrophobicContact CD1-CD2 4.05Å; Y337-Y410 AromaticContact CD1-CE2 3.57Å; Y337-Y410 HydrophobicContact CD1-CE2 3.57Å; Y337-Y410 HydrophobicContact CE1-CD2 4.06Å; Y337-Y410 AromaticContact CE1-CE2 3.52Å; Y337-Y410 HydrophobicContact CE1-CE2 3.52Å; Y337-Y410 HydrophobicContact CG-CE2 4.18Å; Y337-L422 HydrophobicContact CE1-CD1 4.04Å; Y337-L422 HydrophobicContact CE1-CD2 3.94Å; Y337-L422 HydrophobicContact CE1-CG 4.44Å; Y337-L426 HydrophobicContact CD1-CD1 3.79Å; Y337-L426 HydrophobicContact CE1-CD1 3.95Å
338T84.3Confident83.2Confident26 Ų2643.1 Ų43.116%0.1628%0.278CS..Hα-helixtrans-57-45.6172.8-80.50000111.6W323 I327 G334 L335 V341 A342W323-T338 HydrophobicContact CE3-CG2 4.22Å; W323-T338 HydrophobicContact CH2-CG2 3.28Å; W323-T338 HydrophobicContact CZ3-CG2 3.1Å; I327-T338 HydrophobicContact CD1-CG2 3.96Å; I327-T338 HydrophobicContact CG1-CG2 3.81Å; G334-T338 WeakPolarHBondContact O-CB 3.07Å; G334-T338 PolarHBondContact O-N 3.19Å; G334-T338 PolarHBondContact O-OG1 2.96Å; L335-T338 WeakPolarHBondContact O-CB 3.49Å; L335-T338 PolarHBondContact O-N 3.48Å; T338-V341 PolarHBondContact O-N 2.92Å; T338-A342 PolarHBondContact O-N 2.83Å
339Q85.8Confident83.9Confident78 Ų7840.5 Ų40.536%0.36426%0.26SS..Hα-helixtrans-63.3-43.4176.6-175.8177.1400111.5L335 I336 Y337 A342 Q343L335-Q339 WeakPolarHBondContact O-CB 3.4Å; L335-Q339 PolarHBondContact O-N 3.05Å; I336-Q339 PolarHBondContact O-N 3.08Å; Y337-Q339 VanDerWaalsContact C-N 3.33Å; Y337-Q339 PolarHBondContact O-N 2.96Å; Q339-A342 PolarHBondContact O-N 3.06Å; Q339-Q343 HydrophobicContact CG-CG 4.49Å; Q339-Q343 WeakPolarHBondContact O-CB 3.3Å; Q339-Q343 WeakPolarHBondContact O-CG 3.34Å; Q339-Q343 PolarHBondContact O-N 3.26Å
340F89.5Confident84.4Confident6 Ų642.7 Ų42.73%0.02625%0.25CS..Hα-helixtrans-56.6-51.3174.5172.7-98.6000111.2I336 Y337 A342 Q343 T344 L406 Y410 L426 Y429I336-F340 PolarHBondContact O-N 2.83Å; Y337-F340 WeakPolarHBondContact O-CB 3.37Å; Y337-F340 PolarHBondContact O-N 3.14Å; F340-A342 PolarHBondContact O-N 3.28Å; F340-Q343 PolarHBondContact O-N 3.21Å; F340-T344 HydrophobicContact CD2-CG2 4.06Å; F340-T344 HydrophobicContact CE2-CG2 3.82Å; F340-T344 HydrophobicContact CZ-CG2 4.09Å; F340-T344 WeakPolarHBondContact O-CB 3.35Å; F340-T344 WeakPolarHBondContact O-CG2 3.49Å; F340-T344 PolarHBondContact O-N 3.29Å; F340-T344 PolarHBondContact O-OG1 3.09Å; F340-L406 HydrophobicContact CZ-CB 4.27Å; F340-Y410 HydrophobicContact CE1-CD2 4.45Å; F340-L426 HydrophobicContact CB-CD1 4.23Å; F340-L426 HydrophobicContact CD2-CB 4.1Å; F340-L426 HydrophobicContact CD2-CD1 4.49Å; F340-L426 HydrophobicContact CD2-CD2 3.7Å; F340-L426 HydrophobicContact CD2-CG 4.31Å; F340-L426 HydrophobicContact CE2-CD2 3.82Å; F340-L426 HydrophobicContact CG-CD1 4.38Å; F340-L426 HydrophobicContact CG-CD2 4.27Å; F340-L426 HydrophobicContact CZ-CD2 4.5Å; F340-Y429 HydrophobicContact CD2-CD1 4.33Å; F340-Y429 AromaticContact CD2-CE1 3.52Å; F340-Y429 HydrophobicContact CD2-CE1 3.52Å; F340-Y429 AromaticContact CE2-CD1 3.95Å; F340-Y429 HydrophobicContact CE2-CD1 3.95Å; F340-Y429 AromaticContact CE2-CE1 3.48Å; F340-Y429 HydrophobicContact CE2-CE1 3.48Å; F340-Y429 VanDerWaalsContact CE2-CE1 3.48Å
341V87.7Confident85Confident76 Ų7641.2 Ų41.246%0.46124%0.236SC..Hα-helixtrans-56.1-49.5178.3170.40000111.1Y337 T338 Q343 T344 A345Y337-V341 WeakPolarHBondContact O-CG2 3.37Å; Y337-V341 PolarHBondContact O-N 3.49Å; T338-V341 PolarHBondContact O-N 2.92Å; V341-Q343 VanDerWaalsContact C-N 3.34Å; V341-Q343 PolarHBondContact O-N 2.94Å; V341-T344 PolarHBondContact O-N 3.43Å; V341-T344 PolarHBondContact O-OG1 3.32Å; V341-A345 WeakPolarHBondContact O-CB 3.09Å; V341-A345 PolarHBondContact O-N 3.24Å
342A84.8Confident85.3Confident34 Ų3438.7 Ų38.728%0.28122%0.222SC..Hα-helixtrans-59-45.618000000111.7T338 Q339 F340 T344 T733T338-A342 PolarHBondContact O-N 2.83Å; Q339-A342 PolarHBondContact O-N 3.06Å; F340-A342 PolarHBondContact O-N 3.28Å; A342-T344 VanDerWaalsContact C-N 3.34Å; A342-T344 PolarHBondContact O-N 3.08Å; A342-T733 HydrophobicContact CB-CG2 4.23Å; A342-T733 WeakPolarHBondContact O-CG2 3.47Å
343Q88Confident85.8Confident18 Ų1836.6 Ų36.68%0.08421%0.213CC..Hα-helixtrans-69.9-31.1-177.4-73.1175.9-23.700112.5Q339 F340 V341 Y429 T733 R780Q339-Q343 HydrophobicContact CG-CG 4.49Å; Q339-Q343 WeakPolarHBondContact O-CB 3.3Å; Q339-Q343 WeakPolarHBondContact O-CG 3.34Å; Q339-Q343 PolarHBondContact O-N 3.26Å; F340-Q343 PolarHBondContact O-N 3.21Å; V341-Q343 VanDerWaalsContact C-N 3.34Å; V341-Q343 PolarHBondContact O-N 2.94Å; Q343-Y429 WeakPolarHBondContact CB-OH 3.47Å; Q343-Y429 PolarHBondContact OE1-OH 3.36Å; Q343-T733 HydrophobicContact CG-CG2 4.24Å; Q343-R780 PolarHBondContact O-NE 2.76Å
344T90.1Very high86.1Confident4 Ų437.5 Ų37.53%0.02522%0.219CC..Hα-helixtrans-97.2-10.6-176.660.80000114.7F340 V341 A342 M346 C347 C348 L406 Y429F340-T344 HydrophobicContact CD2-CG2 4.06Å; F340-T344 HydrophobicContact CE2-CG2 3.82Å; F340-T344 HydrophobicContact CZ-CG2 4.09Å; F340-T344 WeakPolarHBondContact O-CB 3.35Å; F340-T344 WeakPolarHBondContact O-CG2 3.49Å; F340-T344 PolarHBondContact O-N 3.29Å; F340-T344 PolarHBondContact O-OG1 3.09Å; V341-T344 PolarHBondContact O-N 3.43Å; V341-T344 PolarHBondContact O-OG1 3.32Å; A342-T344 VanDerWaalsContact C-N 3.34Å; A342-T344 PolarHBondContact O-N 3.08Å; T344-M346 PolarHBondContact O-N 3.3Å; T344-M346 VanDerWaalsContact O-N 3.15Å; T344-C347 WeakPolarHBondContact O-CB 3.34Å; T344-C347 PolarHBondContact O-N 3.48Å; T344-C348 PolarHBondContact O-N 2.85Å; T344-L406 HydrophobicContact CG2-CD1 4.16Å; T344-L406 HydrophobicContact CG2-CD2 3.78Å; T344-L406 HydrophobicContact CG2-CG 4.47Å; T344-Y429 HydrophobicContact CG2-CD1 4.44Å; T344-Y429 HydrophobicContact CG2-CE1 3.54Å
345A87.1Confident86.6Confident44 Ų4436.4 Ų36.436%0.36421%0.208SC..Hα-helixtrans-52.7-38.2-17700000113.2V341 C347 C348 G349V341-A345 WeakPolarHBondContact O-CB 3.09Å; V341-A345 PolarHBondContact O-N 3.24Å; A345-C347 VanDerWaalsContact C-N 3.27Å; A345-C347 PolarHBondContact O-N 3.31Å; A345-C348 PolarHBondContact O-N 2.76Å; A345-G349 PolarHBondContact O-N 2.78Å
346M86.3Confident87Confident40 Ų4034.6 Ų34.620%0.19720%0.196CC..Hα-helixtrans-61-33.7176.8-174.7-177.9-65.300113.1T344 N737 L740 Q741 L784T344-M346 PolarHBondContact O-N 3.3Å; T344-M346 VanDerWaalsContact O-N 3.15Å; M346-N737 HydrophobicContact CE-CB 3.63Å; M346-N737 WeakPolarHBondContact CE-OD1 3.34Å; M346-L740 HydrophobicContact CE-CB 3.77Å; M346-L740 HydrophobicContact CE-CD1 3.86Å; M346-L740 HydrophobicContact CE-CG 4.46Å; M346-L740 HydrophobicContact SD-CB 4.15Å; M346-L740 HydrophobicContact SD-CD1 3.91Å; M346-Q741 HydrophobicContact CE-CG 4.45Å; M346-L784 HydrophobicContact CG-CD2 4.12Å; M346-L784 HydrophobicContact SD-CD2 3.79Å
347C87.9Confident87.2Confident5 Ų538.3 Ų38.33%0.03422%0.216CC..Hα-helixtrans-83.5-36.6179.5-54.60000112.1T344 A345 H399 S402 L406T344-C347 WeakPolarHBondContact O-CB 3.34Å; T344-C347 PolarHBondContact O-N 3.48Å; A345-C347 VanDerWaalsContact C-N 3.27Å; A345-C347 PolarHBondContact O-N 3.31Å; C347-H399 PolarHBondContact O-CD2 3Å; C347-S402 VanDerWaalsContact O-CB 3.3Å; C347-S402 WeakPolarHBondContact O-CB 3.24Å; C347-L406 HydrophobicContact CB-CD1 3.69Å
348C84.6Confident87.4Confident2 Ų236.9 Ų36.91%0.01421%0.211CC..Hα-helixtrans-91.6-23.7-170.5-79.70000114.4T344 A345 G352 H399 L406T344-C348 PolarHBondContact O-N 2.85Å; A345-C348 PolarHBondContact O-N 2.76Å; C348-G352 VanDerWaalsContact CB-O 3.23Å; C348-G352 WeakPolarHBondContact CB-O 3.47Å; C348-G352 PolarHBondContact SG-O 3.46Å; C348-G352 VanDerWaalsContact SG-O 3.4Å; C348-H399 PolarHBondContact O-CD2 3.36Å; C348-H399 PolarHBondContact O-NE2 3.32Å; C348-L406 WeakPolarHBondContact SG-CD1 3.33Å
349G78.4Confident87.7Confident33 Ų3337.8 Ų37.834%0.3422%0.216SC..  trans54.3-160.8-171.900000113.8A345 G351 G352 H399A345-G349 PolarHBondContact O-N 2.78Å; G349-G351 VanDerWaalsContact C-N 3.29Å; G349-G351 PolarHBondContact O-N 3.21Å; G349-G352 PolarHBondContact O-N 2.88Å; G349-H399 WeakPolarHBondContact CA-NE2 3.34Å; G349-H399 PolarHBondContact N-NE2 3.24Å
350E75.6Confident87.9Confident118 Ų11838.5 Ų38.555%0.55122%0.215SC*.THydrogen-bonded Turntrans-63.7-31.1-175.2-65.4172.9-179.900113.3G352E350-G352 PolarHBondContact O-N 3.31Å; E350-G352 VanDerWaalsContact O-N 3.14Å
351G80.8Confident87.7Confident1 Ų142.3 Ų42.31%0.0123%0.234CC..THydrogen-bonded Turntrans-63-16.3173.500000114.8G349 I353 K354 Y394G349-G351 VanDerWaalsContact C-N 3.29Å; G349-G351 PolarHBondContact O-N 3.21Å; G351-I353 PolarHBondContact O-N 2.93Å; G351-K354 WeakPolarHBondContact O-CB 3.39Å; G351-K354 WeakPolarHBondContact O-CD 3.49Å; G351-K354 WeakPolarHBondContact O-CG 3.47Å; G351-K354 PolarHBondContact O-N 2.88Å; G351-Y394 PolarHBondContact O-OH 2.86Å
352G88.9Confident87.7Confident27 Ų2739 Ų3928%0.27822%0.216SC..THydrogen-bonded Turntrans58.6-123.2-178.500000111.4C348 G349 E350 A403C348-G352 VanDerWaalsContact CB-O 3.23Å; C348-G352 WeakPolarHBondContact CB-O 3.47Å; C348-G352 PolarHBondContact SG-O 3.46Å; C348-G352 VanDerWaalsContact SG-O 3.4Å; G349-G352 PolarHBondContact O-N 2.88Å; E350-G352 PolarHBondContact O-N 3.31Å; E350-G352 VanDerWaalsContact O-N 3.14Å; G352-A403 WeakPolarHBondContact O-CB 3.34Å
353I92.5Very high87.8Confident46 Ų4642.8 Ų42.824%0.23623%0.226CC..THydrogen-bonded Turntrans-109.513.1-178.860.1166.9000113.8G351 A355 W356 L406 Y410G351-I353 PolarHBondContact O-N 2.93Å; I353-A355 PolarHBondContact O-N 3.1Å; I353-W356 WeakPolarHBondContact O-CB 3.24Å; I353-W356 PolarHBondContact O-N 3.23Å; I353-L406 HydrophobicContact CG2-CB 4.3Å; I353-Y410 HydrophobicContact CD1-CD1 3.54Å; I353-Y410 HydrophobicContact CD1-CE1 4.16Å; I353-Y410 HydrophobicContact CD1-CG 3.83Å
354K91.8Very high87.6Confident86 Ų8647.2 Ų47.237%0.37425%0.25SC..Hα-helixtrans-56.6-25.4-177.5-64.8171.5-168.7-71.40113.3G351 W356 D357 Y358 Y393 Y394G351-K354 WeakPolarHBondContact O-CB 3.39Å; G351-K354 WeakPolarHBondContact O-CD 3.49Å; G351-K354 WeakPolarHBondContact O-CG 3.47Å; G351-K354 PolarHBondContact O-N 2.88Å; K354-W356 PolarHBondContact O-N 2.62Å; K354-D357 PolarHBondContact O-N 3.48Å; K354-Y358 HydrophobicContact CB-CD2 4.49Å; K354-Y358 HydrophobicContact CB-CE1 4.45Å; K354-Y358 HydrophobicContact CB-CE2 3.86Å; K354-Y358 PolarHBondContact O-N 3.03Å; K354-Y393 HydrophobicContact CD-CD2 3.96Å; K354-Y393 HydrophobicContact CD-CE2 3.97Å; K354-Y393 HydrophobicContact CD-CG 4.31Å; K354-Y394 PolarHBondContact N-OH 3.25Å; K354-Y394 VanDerWaalsContact N-OH 3.13Å
355A93.9Very high87.3Confident0 Ų047.4 Ų47.40%025%0.251CS..Hα-helixtrans-58.2-29.5176.600000112.8I353 Y358 V359 Y394 Y400 A403I353-A355 PolarHBondContact O-N 3.1Å; A355-Y358 PolarHBondContact O-N 3.19Å; A355-V359 WeakPolarHBondContact O-CG2 3.28Å; A355-V359 PolarHBondContact O-N 2.9Å; A355-Y394 HydrophobicContact CB-CE2 3.91Å; A355-Y394 PolarHBondContact N-OH 3.49Å; A355-Y400 HydrophobicContact CB-CD2 3.83Å; A355-Y400 HydrophobicContact CB-CE1 4.49Å; A355-Y400 HydrophobicContact CB-CE2 3.73Å; A355-Y400 HydrophobicContact CB-CG 4.28Å; A355-Y400 VanDerWaalsContact CB-O 3.3Å; A355-Y400 WeakPolarHBondContact CB-O 3.37Å; A355-A403 HydrophobicContact CB-CB 3.65Å
356W93.3Very high87.3Confident30 Ų3050.9 Ų50.911%0.11426%0.255CS..Hα-helixtrans-59.8-45.8171.9174.1-115.6000112.1I353 K354 R360 Y404 R408 W411I353-W356 WeakPolarHBondContact O-CB 3.24Å; I353-W356 PolarHBondContact O-N 3.23Å; K354-W356 PolarHBondContact O-N 2.62Å; W356-R360 HydrophobicContact CZ2-CG 4.4Å; W356-R360 WeakPolarHBondContact O-CG 3.38Å; W356-R360 PolarHBondContact O-N 3.23Å; W356-Y404 AromaticContact CE3-CD2 3.79Å; W356-Y404 HydrophobicContact CE3-CD2 3.79Å; W356-Y404 AromaticContact CE3-CE2 3.45Å; W356-Y404 HydrophobicContact CE3-CE2 3.45Å; W356-Y404 VanDerWaalsContact CE3-CE2 3.45Å; W356-Y404 HydrophobicContact CZ3-CD2 4.36Å; W356-Y404 AromaticContact CZ3-CE2 3.57Å; W356-Y404 HydrophobicContact CZ3-CE2 3.57Å; W356-R408 HydrophobicContact CD2-CB 4.23Å; W356-R408 HydrophobicContact CE3-CB 3.6Å; W356-R408 HydrophobicContact CE3-CG 4.1Å; W356-R408 HydrophobicContact CH2-CB 4.16Å; W356-R408 HydrophobicContact CH2-CG 3.77Å; W356-R408 HydrophobicContact CZ3-CB 3.58Å; W356-R408 HydrophobicContact CZ3-CG 3.53Å; W356-W411 AromaticContact CE2-CG 3.98Å; W356-W411 HydrophobicContact CZ2-CB 4.14Å; W356-W411 AromaticContact CZ2-CD1 3.93Å; W356-W411 AromaticContact CZ2-CG 3.94Å; W356-W411 HydrophobicContact CZ2-CG 3.94Å; W356-W411 AromaticContact NE1-CD2 3.72Å; W356-W411 AromaticContact NE1-CE3 3.87Å; W356-W411 AromaticContact NE1-CG 3.55Å
357D91.3Very high87.1Confident82 Ų8250.7 Ų50.744%0.43926%0.256SS..Hα-helixtrans-68.6-41.3178.8-60.5-38.2000111K354 V359 R360 M361K354-D357 PolarHBondContact O-N 3.48Å; D357-V359 PolarHBondContact O-N 3.14Å; D357-R360 CarbonylContact O-C 3.6Å; D357-R360 PolarHBondContact O-N 3.08Å; D357-R360 VanDerWaalsContact O-N 3.15Å; D357-M361 VanDerWaalsContact O-CG 3.32Å; D357-M361 WeakPolarHBondContact O-CG 3.41Å; D357-M361 PolarHBondContact O-N 2.92Å
358Y92.5Very high86.5Confident19 Ų1950.6 Ų50.68%0.07526%0.256CS..Hα-helixtrans-59-45.8176.8-64-20.6000112.8K354 A355 R360 M361 G362 V386 R389 A390 Y393 Y394 Y400K354-Y358 HydrophobicContact CB-CD2 4.49Å; K354-Y358 HydrophobicContact CB-CE1 4.45Å; K354-Y358 HydrophobicContact CB-CE2 3.86Å; K354-Y358 PolarHBondContact O-N 3.03Å; A355-Y358 PolarHBondContact O-N 3.19Å; Y358-R360 VanDerWaalsContact C-N 3.31Å; Y358-R360 PolarHBondContact O-N 3Å; Y358-M361 HydrophobicContact CD1-SD 4.44Å; Y358-M361 PolarHBondContact O-N 3.27Å; Y358-G362 PolarHBondContact O-N 3Å; Y358-V386 HydrophobicContact CD1-CG1 4.43Å; Y358-V386 HydrophobicContact CG-CG1 4.14Å; Y358-R389 HydrophobicContact CE1-CB 4.01Å; Y358-R389 HydrophobicContact CE2-CB 4.27Å; Y358-A390 HydrophobicContact CD2-CB 4.12Å; Y358-A390 HydrophobicContact CE2-CB 4.47Å; Y358-Y393 VanDerWaalsContact OH-CD2 3.27Å; Y358-Y393 WeakPolarHBondContact OH-CD2 3.49Å; Y358-Y393 WeakPolarHBondContact OH-CE2 3.36Å; Y358-Y394 HydrophobicContact CD2-CE2 4.2Å; Y358-Y394 AromaticContact CE2-CE2 3.94Å; Y358-Y394 HydrophobicContact CE2-CE2 3.94Å; Y358-Y400 WeakPolarHBondContact CB-OH 3.46Å; Y358-Y400 HydrophobicContact CD2-CE2 4.03Å
359V90.7Very high86.4Confident45 Ų4552.1 Ų52.127%0.27327%0.265SS..Hα-helixtrans-63.6-38.4176.3171.90000111.2A355 D357 G362 F363 Y400 Y404A355-V359 WeakPolarHBondContact O-CG2 3.28Å; A355-V359 PolarHBondContact O-N 2.9Å; D357-V359 PolarHBondContact O-N 3.14Å; V359-G362 PolarHBondContact O-N 2.92Å; V359-F363 WeakPolarHBondContact O-CB 3.34Å; V359-F363 PolarHBondContact O-N 2.91Å; V359-Y400 HydrophobicContact CG2-CE1 3.98Å; V359-Y404 HydrophobicContact CB-CD2 3.78Å; V359-Y404 HydrophobicContact CB-CE2 3.86Å; V359-Y404 HydrophobicContact CG1-CD2 4.07Å; V359-Y404 HydrophobicContact CG1-CE2 3.64Å; V359-Y404 HydrophobicContact CG2-CD2 3.59Å; V359-Y404 HydrophobicContact CG2-CE2 4.05Å; V359-Y404 HydrophobicContact CG2-CG 4.33Å
360R89.5Confident87Confident92 Ų9257.4 Ų57.435%0.34729%0.285SS..Hα-helixtrans-68.4-39.6176.1-73.1-179.567.51752.5112.7W356 D357 Y358 G362 F363 L364W356-R360 HydrophobicContact CZ2-CG 4.4Å; W356-R360 WeakPolarHBondContact O-CG 3.38Å; W356-R360 PolarHBondContact O-N 3.23Å; D357-R360 CarbonylContact O-C 3.6Å; D357-R360 PolarHBondContact O-N 3.08Å; D357-R360 VanDerWaalsContact O-N 3.15Å; Y358-R360 VanDerWaalsContact C-N 3.31Å; Y358-R360 PolarHBondContact O-N 3Å; R360-G362 VanDerWaalsContact C-N 3.33Å; R360-F363 PolarHBondContact O-N 3.3Å; R360-L364 WeakPolarHBondContact O-CB 3.23Å; R360-L364 WeakPolarHBondContact O-CG 3.36Å; R360-L364 PolarHBondContact O-N 3.21Å
361M87.1Confident87.3Confident86 Ų8655.8 Ų55.842%0.42428%0.28SS..Hα-helixtrans-58.9-46.9172.4-71.1178.676.300110.4D357 Y358 F363 L364 S365 V386D357-M361 VanDerWaalsContact O-CG 3.32Å; D357-M361 WeakPolarHBondContact O-CG 3.41Å; D357-M361 PolarHBondContact O-N 2.92Å; Y358-M361 HydrophobicContact CD1-SD 4.44Å; Y358-M361 PolarHBondContact O-N 3.27Å; M361-F363 VanDerWaalsContact C-N 3.35Å; M361-F363 PolarHBondContact O-N 3.44Å; M361-L364 PolarHBondContact O-N 3.22Å; M361-S365 WeakPolarHBondContact O-CB 3.46Å; M361-S365 PolarHBondContact O-N 3.42Å; M361-V386 HydrophobicContact CB-CG2 3.89Å; M361-V386 HydrophobicContact CE-CG2 4.17Å; M361-V386 HydrophobicContact SD-CG2 4.27Å
362G87.5Confident87.3Confident7 Ų764.6 Ų64.67%0.07232%0.318CS..Hα-helixtrans-61-40.8174.800000112.9Y358 V359 R360 S365 R366Y358-G362 PolarHBondContact O-N 3Å; V359-G362 PolarHBondContact O-N 2.92Å; R360-G362 VanDerWaalsContact C-N 3.33Å; G362-S365 PolarHBondContact O-N 2.9Å; G362-R366 WeakPolarHBondContact O-CG 3.38Å; G362-R366 PolarHBondContact O-N 2.66Å
363F86.2Confident86.7Confident114 Ų11472.5 Ų72.550%0.534%0.339SS..Hα-helixtrans-62.3-49.5174.3173.9-98000112.3V359 R360 M361 S365 R366 V367V359-F363 WeakPolarHBondContact O-CB 3.34Å; V359-F363 PolarHBondContact O-N 2.91Å; R360-F363 PolarHBondContact O-N 3.3Å; M361-F363 VanDerWaalsContact C-N 3.35Å; M361-F363 PolarHBondContact O-N 3.44Å; F363-S365 VanDerWaalsContact C-N 3.28Å; F363-S365 PolarHBondContact O-N 2.91Å; F363-R366 PolarHBondContact O-N 3.36Å; F363-V367 HydrophobicContact CD1-CG2 4.12Å; F363-V367 HydrophobicContact CD2-CG2 4.34Å; F363-V367 HydrophobicContact CE1-CG2 3.67Å; F363-V367 HydrophobicContact CE2-CG2 3.91Å; F363-V367 HydrophobicContact CG-CG2 4.44Å; F363-V367 HydrophobicContact CZ-CG2 3.55Å; F363-V367 WeakPolarHBondContact O-CG2 3.24Å; F363-V367 PolarHBondContact O-N 3.06Å
364L84.2Confident85.9Confident111 Ų11172.5 Ų72.558%0.58134%0.339SS*.Hα-helixtrans-61.5-38.1178.2-72174.2000111.7R360 M361 V367 G368R360-L364 WeakPolarHBondContact O-CB 3.23Å; R360-L364 WeakPolarHBondContact O-CG 3.36Å; R360-L364 PolarHBondContact O-N 3.21Å; M361-L364 PolarHBondContact O-N 3.22Å; L364-V367 PolarHBondContact O-N 3.4Å; L364-G368 PolarHBondContact O-N 3.3Å
365S82.2Confident85.4Confident7 Ų771.9 Ų71.95%0.04934%0.343CS..Hα-helixtrans-60.7-48.3174.5-175.70000111.5M361 G362 F363 V367 G368 V369 S379M361-S365 WeakPolarHBondContact O-CB 3.46Å; M361-S365 PolarHBondContact O-N 3.42Å; G362-S365 PolarHBondContact O-N 2.9Å; F363-S365 VanDerWaalsContact C-N 3.28Å; F363-S365 PolarHBondContact O-N 2.91Å; S365-V367 PolarHBondContact O-N 3.45Å; S365-G368 WeakPolarHBondContact O-CA 3.37Å; S365-G368 PolarHBondContact O-N 3Å; S365-G368 VanDerWaalsContact O-N 3.15Å; S365-V369 PolarHBondContact O-N 3.42Å; S365-S379 WeakPolarHBondContact OG-CA 3.16Å; S365-S379 WeakPolarHBondContact OG-CB 3.37Å; S365-S379 PolarHBondContact OG-OG 2.91Å
366R87Confident85.1Confident117 Ų11778.8 Ų78.844%0.44238%0.375SS..Hα-helixtrans-63.3-39.9174.5-68.6-171.2-59.1-92.13.3113.2G362 F363 G368 V369 L370G362-R366 WeakPolarHBondContact O-CG 3.38Å; G362-R366 PolarHBondContact O-N 2.66Å; F363-R366 PolarHBondContact O-N 3.36Å; R366-G368 VanDerWaalsContact C-N 3.29Å; R366-G368 PolarHBondContact O-N 2.86Å; R366-V369 PolarHBondContact O-N 3.01Å; R366-L370 WeakPolarHBondContact O-CG 3.36Å; R366-L370 PolarHBondContact O-N 2.85Å
367V82.6Confident84.6Confident36 Ų3683.2 Ų83.222%0.21840%0.397CS..Hα-helixtrans-63.5-38.1174171.50000110.8F363 L364 S365 V369 L370 N371F363-V367 HydrophobicContact CD1-CG2 4.12Å; F363-V367 HydrophobicContact CD2-CG2 4.34Å; F363-V367 HydrophobicContact CE1-CG2 3.67Å; F363-V367 HydrophobicContact CE2-CG2 3.91Å; F363-V367 HydrophobicContact CG-CG2 4.44Å; F363-V367 HydrophobicContact CZ-CG2 3.55Å; F363-V367 WeakPolarHBondContact O-CG2 3.24Å; F363-V367 PolarHBondContact O-N 3.06Å; L364-V367 PolarHBondContact O-N 3.4Å; S365-V367 PolarHBondContact O-N 3.45Å; V367-V369 VanDerWaalsContact C-N 3.35Å; V367-L370 PolarHBondContact O-N 3.4Å; V367-N371 WeakPolarHBondContact CG1-ND2 3.29Å; V367-N371 WeakPolarHBondContact O-CB 3.42Å; V367-N371 PolarHBondContact O-N 3.41Å; V367-N371 PolarHBondContact O-ND2 3.36Å
368G76.8Confident84.1Confident3 Ų380.6 Ų80.63%0.03138%0.383CS..Hα-helixtrans-58.5-44.9173.300000111.9L364 S365 R366 N371 K372 W373 L374L364-G368 PolarHBondContact O-N 3.3Å; S365-G368 WeakPolarHBondContact O-CA 3.37Å; S365-G368 PolarHBondContact O-N 3Å; S365-G368 VanDerWaalsContact O-N 3.15Å; R366-G368 VanDerWaalsContact C-N 3.29Å; R366-G368 PolarHBondContact O-N 2.86Å; G368-N371 CarbonylContact O-C 2.98Å; G368-N371 PolarHBondContact O-N 2.96Å; G368-K372 CarbonylContact O-C 3.49Å; G368-K372 PolarHBondContact O-N 2.67Å; G368-W373 PolarHBondContact O-N 3.22Å; G368-L374 PolarHBondContact O-N 2.99Å
369V81.4Confident83.7Confident35 Ų3580 Ų8021%0.21238%0.381CS..Hα-helixtrans-62.1-49.3174.11790000111.7S365 R366 V367 N371 K372 L374 E376S365-V369 PolarHBondContact O-N 3.42Å; R366-V369 PolarHBondContact O-N 3.01Å; V367-V369 VanDerWaalsContact C-N 3.35Å; V369-N371 PolarHBondContact O-N 2.91Å; V369-K372 WeakPolarHBondContact O-CA 3.3Å; V369-K372 PolarHBondContact O-N 3.15Å; V369-L374 WeakPolarHBondContact CA-O 3.21Å; V369-L374 HydrophobicContact CG2-CB 4.29Å; V369-E376 HydrophobicContact CG1-CG 3.88Å
370L90.7Very high83.4Confident144 Ų14482.6 Ų82.675%0.75439%0.393SS*.Hα-helixtrans-58.5-36.4179.6-72171.5000112.6R366 V367 K372R366-L370 WeakPolarHBondContact O-CG 3.36Å; R366-L370 PolarHBondContact O-N 2.85Å; V367-L370 PolarHBondContact O-N 3.4Å; L370-K372 VanDerWaalsContact C-N 3.32Å
371N82.4Confident83Confident84 Ų8481.3 Ų81.345%0.44939%0.388SS..THydrogen-bonded Turntrans-88.53.2176.5-69.9-81.8000113.5V367 G368 V369 W373V367-N371 WeakPolarHBondContact CG1-ND2 3.29Å; V367-N371 WeakPolarHBondContact O-CB 3.42Å; V367-N371 PolarHBondContact O-N 3.41Å; V367-N371 PolarHBondContact O-ND2 3.36Å; G368-N371 CarbonylContact O-C 2.98Å; G368-N371 PolarHBondContact O-N 2.96Å; V369-N371 PolarHBondContact O-N 2.91Å; N371-W373 HydrophobicContact CB-CD2 3.84Å; N371-W373 HydrophobicContact CB-CE3 4.32Å; N371-W373 HydrophobicContact CB-CG 4.15Å; N371-W373 HydrophobicContact CB-CZ2 4.06Å; N371-W373 PolarHBondContact O-N 2.81Å
372K80.9Confident82.7Confident186 Ų18680 Ų8081%0.80938%0.383SS*.THydrogen-bonded Turntrans58.927.4-177.7-50.3179.3-179.8-176.70114.1G368 V369 L370G368-K372 CarbonylContact O-C 3.49Å; G368-K372 PolarHBondContact O-N 2.67Å; V369-K372 WeakPolarHBondContact O-CA 3.3Å; V369-K372 PolarHBondContact O-N 3.15Å; L370-K372 VanDerWaalsContact C-N 3.32Å
373W77.2Confident82.6Confident193 Ų19382.8 Ų82.873%0.73139%0.394SS*.SBendtrans-83.4-24.1171-58.5-19.4000112.4G368 N371G368-W373 PolarHBondContact O-N 3.22Å; N371-W373 HydrophobicContact CB-CD2 3.84Å; N371-W373 HydrophobicContact CB-CE3 4.32Å; N371-W373 HydrophobicContact CB-CG 4.15Å; N371-W373 HydrophobicContact CB-CZ2 4.06Å; N371-W373 PolarHBondContact O-N 2.81Å
374L74.7Confident82.5Confident45 Ų4577.7 Ų77.724%0.23637%0.372CS..SBendtrans-125.7145.2174-64.3173.6000108.6G368 V369 E378 L382G368-L374 PolarHBondContact O-N 2.99Å; V369-L374 WeakPolarHBondContact CA-O 3.21Å; V369-L374 HydrophobicContact CG2-CB 4.29Å; L374-E378 WeakPolarHBondContact CA-OE2 3.24Å; L374-E378 HydrophobicContact CB-CB 4.38Å; L374-E378 HydrophobicContact CD2-CB 4.24Å; L374-L382 HydrophobicContact CD1-CD1 3.87Å; L374-L382 HydrophobicContact CD2-CD1 4.42Å
375T81.4Confident82.3Confident73 Ų7377.6 Ų77.645%0.44836%0.364SS..  trans-73.3162.6163.971.60000110.3E377 E378 S379T375-E377 PolarHBondContact O-N 2.76Å; T375-E377 PolarHBondContact OG1-N 2.9Å; T375-E378 PolarHBondContact N-OE2 3.22Å; T375-E378 PolarHBondContact O-N 3.27Å; T375-E378 WeakPolarHBondContact OG1-CG 3.48Å; T375-E378 PolarHBondContact OG1-N 3.35Å; T375-E378 PolarHBondContact OG1-OE2 2.97Å; T375-S379 WeakPolarHBondContact O-CB 3.46Å; T375-S379 PolarHBondContact O-N 3.48Å
376E87.1Confident82.4Confident146 Ų14677.9 Ų77.968%0.68237%0.365SS*.Hα-helixtrans-59.7-36.3172.3-70.4-178.1179.200111.4V369 S379 L380V369-E376 HydrophobicContact CG1-CG 3.88Å; E376-S379 WeakPolarHBondContact O-CB 3.33Å; E376-S379 PolarHBondContact O-N 2.67Å; E376-L380 WeakPolarHBondContact O-CB 3.34Å; E376-L380 VanDerWaalsContact O-CG 3.25Å; E376-L380 WeakPolarHBondContact O-CG 3.43Å; E376-L380 PolarHBondContact O-N 3.06Å
377E83.7Confident82.4Confident122 Ų12274.8 Ų74.857%0.5735%0.354SS*.Hα-helixtrans-65.8-45.7178-161.3-175.516700112.2T375 S379 L380 W381 P465T375-E377 PolarHBondContact O-N 2.76Å; T375-E377 PolarHBondContact OG1-N 2.9Å; E377-S379 VanDerWaalsContact C-N 3.31Å; E377-S379 PolarHBondContact O-N 2.92Å; E377-L380 PolarHBondContact O-N 3.31Å; E377-W381 PolarHBondContact O-N 3.48Å; E377-P465 HydrophobicContact CB-CG 4.3Å; E377-P465 HydrophobicContact CG-CG 3.93Å
378E80.3Confident82.4Confident28 Ų2875.5 Ų75.513%0.13136%0.358CS..Hα-helixtrans-61.2-40.8173.9-72175.2131.600111.8L374 T375 W381 L382 P465 T467L374-E378 WeakPolarHBondContact CA-OE2 3.24Å; L374-E378 HydrophobicContact CB-CB 4.38Å; L374-E378 HydrophobicContact CD2-CB 4.24Å; T375-E378 PolarHBondContact N-OE2 3.22Å; T375-E378 PolarHBondContact O-N 3.27Å; T375-E378 WeakPolarHBondContact OG1-CG 3.48Å; T375-E378 PolarHBondContact OG1-N 3.35Å; T375-E378 PolarHBondContact OG1-OE2 2.97Å; E378-W381 PolarHBondContact O-N 2.97Å; E378-L382 WeakPolarHBondContact O-CB 3.22Å; E378-L382 VanDerWaalsContact O-CG 3.31Å; E378-L382 WeakPolarHBondContact O-CG 3.4Å; E378-L382 PolarHBondContact O-N 3.44Å; E378-P465 HydrophobicContact CB-CG 4.41Å; E378-P465 HydrophobicContact CG-CB 3.82Å; E378-P465 HydrophobicContact CG-CG 3.87Å; E378-T467 HydrophobicContact CG-CG2 4.35Å; E378-T467 VanDerWaalsContact OE1-CB 3.29Å; E378-T467 WeakPolarHBondContact OE1-CB 3.49Å; E378-T467 WeakPolarHBondContact OE1-CG2 3.4Å; E378-T467 PolarHBondContact OE1-OG1 3.4Å
379S83.4Confident82.7Confident7 Ų780.5 Ų80.55%0.04938%0.377CS..Hα-helixtrans-64.8-44.1175.91760000112.4S365 T375 E376 E377 W381 L382 Q383S365-S379 WeakPolarHBondContact OG-CA 3.16Å; S365-S379 WeakPolarHBondContact OG-CB 3.37Å; S365-S379 PolarHBondContact OG-OG 2.91Å; T375-S379 WeakPolarHBondContact O-CB 3.46Å; T375-S379 PolarHBondContact O-N 3.48Å; E376-S379 WeakPolarHBondContact O-CB 3.33Å; E376-S379 PolarHBondContact O-N 2.67Å; E377-S379 VanDerWaalsContact C-N 3.31Å; E377-S379 PolarHBondContact O-N 2.92Å; S379-W381 VanDerWaalsContact C-N 3.35Å; S379-L382 PolarHBondContact O-N 3.15Å; S379-Q383 WeakPolarHBondContact O-CB 3.5Å; S379-Q383 VanDerWaalsContact O-CG 3.31Å; S379-Q383 WeakPolarHBondContact O-CG 3.4Å; S379-Q383 PolarHBondContact O-N 2.92Å; S379-Q383 PolarHBondContact OG-NE2 3.18Å
380L85.9Confident83.1Confident98 Ų9879.1 Ų79.151%0.51337%0.369SS..Hα-helixtrans-62.5-42.4176.3-75.5170.4000111.4E376 E377 Q383 S384E376-L380 WeakPolarHBondContact O-CB 3.34Å; E376-L380 VanDerWaalsContact O-CG 3.25Å; E376-L380 WeakPolarHBondContact O-CG 3.43Å; E376-L380 PolarHBondContact O-N 3.06Å; E377-L380 PolarHBondContact O-N 3.31Å; L380-Q383 PolarHBondContact O-N 3.38Å; L380-S384 WeakPolarHBondContact O-CB 3.01Å; L380-S384 PolarHBondContact O-N 2.97Å
381W80.4Confident82.9Confident65 Ų6575.1 Ų75.125%0.24635%0.346CS..Hα-helixtrans-61.6-48.5173.8-17978.8000112.7E377 E378 S379 Q383 S384 R385 S462 C464 P465E377-W381 PolarHBondContact O-N 3.48Å; E378-W381 PolarHBondContact O-N 2.97Å; S379-W381 VanDerWaalsContact C-N 3.35Å; W381-Q383 VanDerWaalsContact C-N 3.3Å; W381-Q383 PolarHBondContact O-N 2.85Å; W381-S384 PolarHBondContact O-N 2.87Å; W381-S384 VanDerWaalsContact O-N 3.14Å; W381-S384 PolarHBondContact O-OG 3.24Å; W381-R385 HydrophobicContact CD2-CG 4.37Å; W381-R385 HydrophobicContact CH2-CG 4.45Å; W381-R385 HydrophobicContact CZ2-CG 4.11Å; W381-R385 WeakPolarHBondContact O-CG 3.38Å; W381-R385 PolarHBondContact O-N 3.35Å; W381-R385 VanDerWaalsContact O-N 3.07Å; W381-S462 VanDerWaalsContact CD1-O 3.28Å; W381-C464 HydrophobicContact CD2-CB 4.35Å; W381-C464 HydrophobicContact CZ2-CB 3.95Å; W381-C464 VanDerWaalsContact CZ2-SG 3.5Å; W381-C464 VanDerWaalsContact NE1-CA 3.31Å; W381-P465 HydrophobicContact CB-CG 4.35Å
382L80.2Confident82.9Confident60 Ų6075.9 Ų75.931%0.31435%0.347SS..Hα-helixtrans-59.6-42.1176.4-73.6170.8000111.8L374 E378 S379 S384 R385 V386L374-L382 HydrophobicContact CD1-CD1 3.87Å; L374-L382 HydrophobicContact CD2-CD1 4.42Å; E378-L382 WeakPolarHBondContact O-CB 3.22Å; E378-L382 VanDerWaalsContact O-CG 3.31Å; E378-L382 WeakPolarHBondContact O-CG 3.4Å; E378-L382 PolarHBondContact O-N 3.44Å; S379-L382 PolarHBondContact O-N 3.15Å; L382-S384 VanDerWaalsContact C-N 3.35Å; L382-R385 PolarHBondContact O-N 3.49Å; L382-V386 WeakPolarHBondContact O-CG2 3.47Å; L382-V386 PolarHBondContact O-N 3.4Å
383Q86.5Confident83.1Confident65 Ų6569.2 Ų69.230%0.30432%0.317SS..Hα-helixtrans-66.2-35.4176.8-74.1-17370.900112.3S379 L380 W381 R385 V386 Y387S379-Q383 WeakPolarHBondContact O-CB 3.5Å; S379-Q383 VanDerWaalsContact O-CG 3.31Å; S379-Q383 WeakPolarHBondContact O-CG 3.4Å; S379-Q383 PolarHBondContact O-N 2.92Å; S379-Q383 PolarHBondContact OG-NE2 3.18Å; L380-Q383 PolarHBondContact O-N 3.38Å; W381-Q383 VanDerWaalsContact C-N 3.3Å; W381-Q383 PolarHBondContact O-N 2.85Å; Q383-R385 VanDerWaalsContact C-N 3.31Å; Q383-R385 PolarHBondContact O-N 2.96Å; Q383-V386 PolarHBondContact O-N 2.72Å; Q383-Y387 VanDerWaalsContact O-CB 3.31Å; Q383-Y387 WeakPolarHBondContact O-CB 3.46Å; Q383-Y387 PolarHBondContact O-N 3.42Å
384S83.4Confident83.6Confident7 Ų760 Ų605%0.04928%0.282CS..Hα-helixtrans-62.7-38.5173.489.10000111.2L380 W381 L382 Y387 V388L380-S384 WeakPolarHBondContact O-CB 3.01Å; L380-S384 PolarHBondContact O-N 2.97Å; W381-S384 PolarHBondContact O-N 2.87Å; W381-S384 VanDerWaalsContact O-N 3.14Å; W381-S384 PolarHBondContact O-OG 3.24Å; L382-S384 VanDerWaalsContact C-N 3.35Å; S384-Y387 WeakPolarHBondContact O-CB 3.38Å; S384-Y387 PolarHBondContact O-N 3.33Å; S384-V388 WeakPolarHBondContact O-CG2 3.43Å; S384-V388 PolarHBondContact O-N 3.42Å
385R80.5Confident84.2Confident108 Ų10864.1 Ų64.141%0.40830%0.3SS..Hα-helixtrans-69-37.8174.8-60.4-49.9-58.5-111.80.9113.1W381 L382 Q383 Y387 R389W381-R385 HydrophobicContact CD2-CG 4.37Å; W381-R385 HydrophobicContact CH2-CG 4.45Å; W381-R385 HydrophobicContact CZ2-CG 4.11Å; W381-R385 WeakPolarHBondContact O-CG 3.38Å; W381-R385 PolarHBondContact O-N 3.35Å; W381-R385 VanDerWaalsContact O-N 3.07Å; L382-R385 PolarHBondContact O-N 3.49Å; Q383-R385 VanDerWaalsContact C-N 3.31Å; Q383-R385 PolarHBondContact O-N 2.96Å; R385-Y387 VanDerWaalsContact C-N 3.32Å; R385-R389 WeakPolarHBondContact O-CG 3.33Å; R385-R389 PolarHBondContact O-N 3.35Å
386V84.5Confident84.5Confident13 Ų1362.9 Ų62.98%0.07929%0.294CS..Hα-helixtrans-62.3-44.3171.9172.40000110Y358 M361 L382 Q383 R389 A390Y358-V386 HydrophobicContact CD1-CG1 4.43Å; Y358-V386 HydrophobicContact CG-CG1 4.14Å; M361-V386 HydrophobicContact CB-CG2 3.89Å; M361-V386 HydrophobicContact CE-CG2 4.17Å; M361-V386 HydrophobicContact SD-CG2 4.27Å; L382-V386 WeakPolarHBondContact O-CG2 3.47Å; L382-V386 PolarHBondContact O-N 3.4Å; Q383-V386 PolarHBondContact O-N 2.72Å; V386-R389 PolarHBondContact O-N 2.96Å; V386-A390 WeakPolarHBondContact O-CB 3.39Å; V386-A390 PolarHBondContact O-N 3.42Å
387Y85.9Confident84.6Confident52 Ų5259.6 Ų59.620%0.20428%0.275CS..Hα-helixtrans-58.9-48.1176.9159.8-91.4000112.1Q383 S384 R385 R389 A390 H391 Q456 P457 L458Q383-Y387 VanDerWaalsContact O-CB 3.31Å; Q383-Y387 WeakPolarHBondContact O-CB 3.46Å; Q383-Y387 PolarHBondContact O-N 3.42Å; S384-Y387 WeakPolarHBondContact O-CB 3.38Å; S384-Y387 PolarHBondContact O-N 3.33Å; R385-Y387 VanDerWaalsContact C-N 3.32Å; Y387-R389 VanDerWaalsContact C-N 3.28Å; Y387-R389 PolarHBondContact O-N 3.25Å; Y387-A390 PolarHBondContact O-N 3.07Å; Y387-A390 VanDerWaalsContact O-N 3.16Å; Y387-H391 HydrophobicContact CE2-CB 4.22Å; Y387-H391 AromaticContact CZ-CD2 3.94Å; Y387-H391 WeakPolarHBondContact O-CB 3.48Å; Y387-H391 PolarHBondContact O-N 3.35Å; Y387-H391 PolarHBondContact OH-CD2 2.88Å; Y387-Q456 PolarHBondContact OH-O 2.79Å; Y387-P457 WeakPolarHBondContact OH-CA 3.36Å; Y387-L458 HydrophobicContact CD1-CB 4.34Å; Y387-L458 HydrophobicContact CD1-CD1 3.53Å; Y387-L458 HydrophobicContact CD1-CG 3.96Å; Y387-L458 HydrophobicContact CD2-CD1 4.06Å; Y387-L458 HydrophobicContact CD2-CG 4.19Å; Y387-L458 HydrophobicContact CE1-CB 3.77Å; Y387-L458 HydrophobicContact CE1-CD1 3.8Å; Y387-L458 HydrophobicContact CE1-CG 3.69Å; Y387-L458 HydrophobicContact CE2-CD1 4.27Å; Y387-L458 HydrophobicContact CE2-CG 3.9Å; Y387-L458 HydrophobicContact CG-CD1 3.7Å; Y387-L458 HydrophobicContact CG-CG 4.23Å; Y387-L458 PolarHBondContact OH-N 2.83Å
388V82.2Confident84.8Confident51 Ų5154.5 Ų54.531%0.30925%0.252SS..Hα-helixtrans-57.6-42.3178.3169.80000111.1S384 H392S384-V388 WeakPolarHBondContact O-CG2 3.43Å; S384-V388 PolarHBondContact O-N 3.42Å; V388-H392 WeakPolarHBondContact O-CB 3.33Å; V388-H392 PolarHBondContact O-N 2.91Å
389R84.6Confident85.2Confident109 Ų10954.5 Ų54.541%0.41125%0.252SS..Hα-helixtrans-68.4-41.6176.8-68-179.8178.1112.9-3.7112.5Y358 R385 V386 Y387 H392 Y393Y358-R389 HydrophobicContact CE1-CB 4.01Å; Y358-R389 HydrophobicContact CE2-CB 4.27Å; R385-R389 WeakPolarHBondContact O-CG 3.33Å; R385-R389 PolarHBondContact O-N 3.35Å; V386-R389 PolarHBondContact O-N 2.96Å; Y387-R389 VanDerWaalsContact C-N 3.28Å; Y387-R389 PolarHBondContact O-N 3.25Å; R389-H392 WeakPolarHBondContact O-CB 3.44Å; R389-H392 PolarHBondContact O-N 3.15Å; R389-Y393 WeakPolarHBondContact O-CD2 3.12Å; R389-Y393 PolarHBondContact O-N 3.1Å
390A89.2Confident85.7Confident6 Ų655.4 Ų55.45%0.0525%0.254CS..Hα-helixtrans-62.4-45.7176.300000111.7Y358 V386 Y387 H392 Y393 Y394 Y400Y358-A390 HydrophobicContact CD2-CB 4.12Å; Y358-A390 HydrophobicContact CE2-CB 4.47Å; V386-A390 WeakPolarHBondContact O-CB 3.39Å; V386-A390 PolarHBondContact O-N 3.42Å; Y387-A390 PolarHBondContact O-N 3.07Å; Y387-A390 VanDerWaalsContact O-N 3.16Å; A390-H392 PolarHBondContact O-N 2.62Å; A390-Y393 PolarHBondContact O-N 3.29Å; A390-Y394 WeakPolarHBondContact O-CB 3.23Å; A390-Y394 VanDerWaalsContact O-CD2 3.31Å; A390-Y394 WeakPolarHBondContact O-CD2 3.3Å; A390-Y394 PolarHBondContact O-N 3.08Å; A390-Y400 HydrophobicContact CB-CD2 3.96Å; A390-Y400 HydrophobicContact CB-CE2 3.49Å; A390-Y400 VanDerWaalsContact CB-CE2 3.49Å
391H86.7Confident86Confident60 Ų6050.8 Ų50.828%0.27823%0.23SC..Hα-helixtrans-68.2-24.4177.9-167.7-66.2000112.5Y387 W455Y387-H391 HydrophobicContact CE2-CB 4.22Å; Y387-H391 AromaticContact CZ-CD2 3.94Å; Y387-H391 WeakPolarHBondContact O-CB 3.48Å; Y387-H391 PolarHBondContact O-N 3.35Å; Y387-H391 PolarHBondContact OH-CD2 2.88Å; H391-W455 AromaticContact CD2-NE1 3.92Å
392H82.6Confident86.6Confident99 Ų9948.1 Ų48.146%0.45822%0.221SC..Hα-helixtrans-71-46.1174179.377.1000112.3V388 R389 A390 D647V388-H392 WeakPolarHBondContact O-CB 3.33Å; V388-H392 PolarHBondContact O-N 2.91Å; R389-H392 WeakPolarHBondContact O-CB 3.44Å; R389-H392 PolarHBondContact O-N 3.15Å; A390-H392 PolarHBondContact O-N 2.62Å; H392-D647 IonicContact NE2-OD2 3.69Å
393Y83.5Confident87.2Confident46 Ų4645.2 Ų45.218%0.1821%0.206CC..Hα-helixtrans-91.7-17.2-172.9-74-63.4000115.4K354 Y358 R389 A390K354-Y393 HydrophobicContact CD-CD2 3.96Å; K354-Y393 HydrophobicContact CD-CE2 3.97Å; K354-Y393 HydrophobicContact CD-CG 4.31Å; Y358-Y393 VanDerWaalsContact OH-CD2 3.27Å; Y358-Y393 WeakPolarHBondContact OH-CD2 3.49Å; Y358-Y393 WeakPolarHBondContact OH-CE2 3.36Å; R389-Y393 WeakPolarHBondContact O-CD2 3.12Å; R389-Y393 PolarHBondContact O-N 3.1Å; A390-Y393 PolarHBondContact O-N 3.29Å
394Y88.8Confident87.6Confident0 Ų043.6 Ų43.60%020%0.197CC..  trans-128.3147.9-173.9-54.5-75.2000111.9G351 K354 A355 Y358 A390 H399 Y400 A403 W455G351-Y394 PolarHBondContact O-OH 2.86Å; K354-Y394 PolarHBondContact N-OH 3.25Å; K354-Y394 VanDerWaalsContact N-OH 3.13Å; A355-Y394 HydrophobicContact CB-CE2 3.91Å; A355-Y394 PolarHBondContact N-OH 3.49Å; Y358-Y394 HydrophobicContact CD2-CE2 4.2Å; Y358-Y394 AromaticContact CE2-CE2 3.94Å; Y358-Y394 HydrophobicContact CE2-CE2 3.94Å; A390-Y394 WeakPolarHBondContact O-CB 3.23Å; A390-Y394 VanDerWaalsContact O-CD2 3.31Å; A390-Y394 WeakPolarHBondContact O-CD2 3.3Å; A390-Y394 PolarHBondContact O-N 3.08Å; Y394-H399 AromaticContact CD1-CD2 3.99Å; Y394-H399 AromaticContact CD1-CE1 3.88Å; Y394-H399 AromaticContact CD1-NE2 3.88Å; Y394-Y400 AromaticContact CD2-CD2 3.54Å; Y394-Y400 HydrophobicContact CD2-CD2 3.54Å; Y394-Y400 HydrophobicContact CD2-CE2 4.22Å; Y394-Y400 AromaticContact CE2-CD2 3.95Å; Y394-Y400 HydrophobicContact CE2-CD2 3.95Å; Y394-Y400 HydrophobicContact CE2-CE2 4.32Å; Y394-Y400 HydrophobicContact CG-CD2 4.1Å; Y394-A403 HydrophobicContact CD1-CB 4.18Å; Y394-A403 HydrophobicContact CE1-CB 3.29Å; Y394-W455 WeakPolarHBondContact O-CZ2 3.09Å; Y394-W455 PolarHBondContact O-NE1 3.34Å
395H86.7Confident88Confident132 Ų13243.5 Ų43.561%0.61120%0.197SC*.SBendtrans-112-5.7-169.9-55.3100.5000114.2H399 W455H395-H399 PolarHBondContact N-ND1 2.94Å; H395-H399 AromaticContact ND1-CE1 3.76Å; H395-H399 AromaticContact ND1-ND1 3.65Å; H395-W455 VanDerWaalsContact C-CD1 3.5Å
396S88Confident88.6Confident46 Ų4638.4 Ų38.432%0.32218%0.177SC..SBendtrans-159.8161.7176.466.90000111M398 H399 Y400S396-M398 VanDerWaalsContact C-N 3.25Å; S396-M398 PolarHBondContact O-N 2.9Å; S396-H399 WeakPolarHBondContact O-CB 3.5Å; S396-H399 PolarHBondContact O-N 3.27Å; S396-H399 VanDerWaalsContact O-N 3.15Å; S396-H399 VanDerWaalsContact OG-CB 3.3Å; S396-H399 WeakPolarHBondContact OG-CB 3.46Å; S396-H399 PolarHBondContact OG-N 3.47Å; S396-H399 VanDerWaalsContact OG-N 3.09Å; S396-Y400 PolarHBondContact O-N 3.19Å
397W89.4Confident89Confident78 Ų7837.8 Ų37.830%0.29517%0.174SC..Hα-helixtrans-58.2-37.9172.6-72.7110.2000112.7Y400 F401 Y450 L453 P454 W455W397-Y400 PolarHBondContact O-N 3.47Å; W397-F401 VanDerWaalsContact O-CB 3.24Å; W397-F401 WeakPolarHBondContact O-CB 3.34Å; W397-F401 PolarHBondContact O-N 3.47Å; W397-Y450 HydrophobicContact CB-CD1 3.53Å; W397-Y450 HydrophobicContact CB-CE1 4.19Å; W397-Y450 HydrophobicContact CB-CG 3.81Å; W397-Y450 HydrophobicContact CD2-CD1 4.23Å; W397-Y450 HydrophobicContact CD2-CE1 4.34Å; W397-Y450 HydrophobicContact CE3-CD1 4.28Å; W397-Y450 AromaticContact CE3-CE1 3.93Å; W397-Y450 HydrophobicContact CE3-CE1 3.93Å; W397-Y450 AromaticContact CG-CD1 3.95Å; W397-Y450 HydrophobicContact CG-CD1 3.95Å; W397-Y450 HydrophobicContact CG-CE1 4.48Å; W397-L453 HydrophobicContact CG-CB 4.42Å; W397-P454 PolarHBondContact NE1-O 3.48Å; W397-W455 HydrophobicContact CB-CE3 4.36Å; W397-W455 AromaticContact CD1-CE3 3.88Å; W397-W455 AromaticContact CD2-CE3 3.51Å; W397-W455 HydrophobicContact CD2-CE3 3.51Å; W397-W455 AromaticContact CD2-CZ3 3.62Å; W397-W455 HydrophobicContact CD2-CZ3 3.62Å; W397-W455 AromaticContact CE2-CE3 3.6Å; W397-W455 AromaticContact CE2-CZ3 3.96Å; W397-W455 AromaticContact CE3-CE3 3.99Å; W397-W455 HydrophobicContact CE3-CE3 3.99Å; W397-W455 AromaticContact CE3-CZ3 3.57Å; W397-W455 HydrophobicContact CE3-CZ3 3.57Å; W397-W455 AromaticContact CG-CE3 3.69Å; W397-W455 HydrophobicContact CG-CE3 3.69Å; W397-W455 HydrophobicContact CG-CZ3 4.15Å; W397-W455 HydrophobicContact CH2-CZ3 4.16Å; W397-W455 HydrophobicContact CZ2-CE3 4.13Å; W397-W455 HydrophobicContact CZ2-CZ3 4.22Å; W397-W455 HydrophobicContact CZ3-CE3 4.46Å; W397-W455 AromaticContact CZ3-CZ3 3.84Å; W397-W455 HydrophobicContact CZ3-CZ3 3.84Å; W397-W455 AromaticContact NE1-CE3 3.81Å
398M88Confident89.3Confident15 Ų1536.8 Ų36.87%0.07417%0.17CC..Hα-helixtrans-65.1-39.5175.8-81.2-56.6-60.700112.5S396 F401 S402 A443 Y450 A786 H790S396-M398 VanDerWaalsContact C-N 3.25Å; S396-M398 PolarHBondContact O-N 2.9Å; M398-F401 PolarHBondContact O-N 2.93Å; M398-S402 VanDerWaalsContact O-CB 3.32Å; M398-S402 WeakPolarHBondContact O-CB 3.46Å; M398-S402 PolarHBondContact O-N 2.98Å; M398-S402 PolarHBondContact O-OG 3.4Å; M398-A443 HydrophobicContact CE-CB 4.12Å; M398-A443 HydrophobicContact SD-CB 3.88Å; M398-Y450 HydrophobicContact SD-CD2 4.28Å; M398-A786 HydrophobicContact CE-CB 3.5Å; M398-A786 VanDerWaalsContact CE-CB 3.5Å; M398-H790 VanDerWaalsContact CG-ND1 3.3Å; M398-H790 WeakPolarHBondContact CG-ND1 3.44Å; M398-H790 PolarHBondContact SD-CE1 2.62Å
399H89.5Confident89.6Confident28 Ų2835.1 Ų35.113%0.1316%0.159CC..Hα-helixtrans-66.7-46176.9-172.7-159.8000111C347 C348 G349 Y394 H395 S396 F401 S402 A403C347-H399 PolarHBondContact O-CD2 3Å; C348-H399 PolarHBondContact O-CD2 3.36Å; C348-H399 PolarHBondContact O-NE2 3.32Å; G349-H399 WeakPolarHBondContact CA-NE2 3.34Å; G349-H399 PolarHBondContact N-NE2 3.24Å; Y394-H399 AromaticContact CD1-CD2 3.99Å; Y394-H399 AromaticContact CD1-CE1 3.88Å; Y394-H399 AromaticContact CD1-NE2 3.88Å; H395-H399 PolarHBondContact N-ND1 2.94Å; H395-H399 AromaticContact ND1-CE1 3.76Å; H395-H399 AromaticContact ND1-ND1 3.65Å; S396-H399 WeakPolarHBondContact O-CB 3.5Å; S396-H399 PolarHBondContact O-N 3.27Å; S396-H399 VanDerWaalsContact O-N 3.15Å; S396-H399 VanDerWaalsContact OG-CB 3.3Å; S396-H399 WeakPolarHBondContact OG-CB 3.46Å; S396-H399 PolarHBondContact OG-N 3.47Å; S396-H399 VanDerWaalsContact OG-N 3.09Å; H399-F401 PolarHBondContact O-N 3.11Å; H399-S402 PolarHBondContact O-N 3.28Å; H399-A403 PolarHBondContact O-N 3.08Å; H399-A403 VanDerWaalsContact O-N 3.07Å
400Y92.4Very high89.9Confident25 Ų2533.5 Ų33.510%0.09815%0.153CC..Hα-helixtrans-59.5-44.6173.8-175.8-97.7000112.5A355 Y358 V359 A390 Y394 S396 W397 A403 Y404 W455A355-Y400 HydrophobicContact CB-CD2 3.83Å; A355-Y400 HydrophobicContact CB-CE1 4.49Å; A355-Y400 HydrophobicContact CB-CE2 3.73Å; A355-Y400 HydrophobicContact CB-CG 4.28Å; A355-Y400 VanDerWaalsContact CB-O 3.3Å; A355-Y400 WeakPolarHBondContact CB-O 3.37Å; Y358-Y400 WeakPolarHBondContact CB-OH 3.46Å; Y358-Y400 HydrophobicContact CD2-CE2 4.03Å; V359-Y400 HydrophobicContact CG2-CE1 3.98Å; A390-Y400 HydrophobicContact CB-CD2 3.96Å; A390-Y400 HydrophobicContact CB-CE2 3.49Å; A390-Y400 VanDerWaalsContact CB-CE2 3.49Å; Y394-Y400 AromaticContact CD2-CD2 3.54Å; Y394-Y400 HydrophobicContact CD2-CD2 3.54Å; Y394-Y400 HydrophobicContact CD2-CE2 4.22Å; Y394-Y400 AromaticContact CE2-CD2 3.95Å; Y394-Y400 HydrophobicContact CE2-CD2 3.95Å; Y394-Y400 HydrophobicContact CE2-CE2 4.32Å; Y394-Y400 HydrophobicContact CG-CD2 4.1Å; S396-Y400 PolarHBondContact O-N 3.19Å; W397-Y400 PolarHBondContact O-N 3.47Å; Y400-A403 PolarHBondContact O-N 3.32Å; Y400-Y404 PolarHBondContact O-N 3.07Å; Y400-W455 HydrophobicContact CD2-CH2 4.04Å; Y400-W455 HydrophobicContact CG-CH2 4.05Å; Y400-W455 HydrophobicContact CG-CZ3 4.36Å
401F92Very high89.9Confident2 Ų238.5 Ų38.51%0.00917%0.171CC..Hα-helixtrans-69.2-35.8179.1178.6-110.2000113.1W397 M398 H399 Y404 S405 M438 F439 L442 A443 Y450 L783W397-F401 VanDerWaalsContact O-CB 3.24Å; W397-F401 WeakPolarHBondContact O-CB 3.34Å; W397-F401 PolarHBondContact O-N 3.47Å; M398-F401 PolarHBondContact O-N 2.93Å; H399-F401 PolarHBondContact O-N 3.11Å; F401-Y404 HydrophobicContact CD2-CD1 4.03Å; F401-Y404 HydrophobicContact CE2-CD1 4.05Å; F401-Y404 HydrophobicContact CE2-CE1 4.39Å; F401-Y404 PolarHBondContact O-N 3.25Å; F401-S405 WeakPolarHBondContact CZ-OG 3.24Å; F401-S405 WeakPolarHBondContact O-CB 3.4Å; F401-S405 PolarHBondContact O-N 2.99Å; F401-S405 PolarHBondContact O-OG 3.14Å; F401-M438 HydrophobicContact CE2-CB 4.39Å; F401-M438 HydrophobicContact CZ-CB 4.42Å; F401-F439 HydrophobicContact CE1-CB 4.4Å; F401-F439 AromaticContact CE1-CD2 3.99Å; F401-F439 HydrophobicContact CE1-CD2 3.99Å; F401-F439 HydrophobicContact CZ-CB 4.33Å; F401-L442 HydrophobicContact CD2-CD1 4.35Å; F401-L442 HydrophobicContact CE2-CD1 3.94Å; F401-A443 HydrophobicContact CE1-CB 4.27Å; F401-Y450 HydrophobicContact CB-CD2 4.03Å; F401-Y450 HydrophobicContact CB-CE2 3.44Å; F401-Y450 VanDerWaalsContact CB-CE2 3.44Å; F401-Y450 HydrophobicContact CD1-CD2 4.43Å; F401-Y450 HydrophobicContact CD1-CE2 4.04Å; F401-Y450 AromaticContact CD2-CE2 3.55Å; F401-Y450 HydrophobicContact CD2-CE2 3.55Å; F401-Y450 HydrophobicContact CE2-CE2 4.29Å; F401-Y450 HydrophobicContact CG-CD2 4.13Å; F401-Y450 AromaticContact CG-CE2 3.4Å; F401-Y450 HydrophobicContact CG-CE2 3.4Å; F401-L783 HydrophobicContact CD1-CD2 3.97Å; F401-L783 HydrophobicContact CE1-CD2 4.07Å
402S92.8Very high89.9Confident8 Ų838.8 Ų38.86%0.05617%0.172CC..Hα-helixtrans-60.7-49173.7-620000110.4C347 M398 H399 Y404 S405 L406C347-S402 VanDerWaalsContact O-CB 3.3Å; C347-S402 WeakPolarHBondContact O-CB 3.24Å; M398-S402 VanDerWaalsContact O-CB 3.32Å; M398-S402 WeakPolarHBondContact O-CB 3.46Å; M398-S402 PolarHBondContact O-N 2.98Å; M398-S402 PolarHBondContact O-OG 3.4Å; H399-S402 PolarHBondContact O-N 3.28Å; S402-Y404 VanDerWaalsContact C-N 3.34Å; S402-Y404 PolarHBondContact O-N 3.48Å; S402-S405 PolarHBondContact O-N 3.39Å; S402-L406 WeakPolarHBondContact O-CB 3.31Å; S402-L406 WeakPolarHBondContact O-CD1 3.33Å; S402-L406 WeakPolarHBondContact O-CG 3.37Å; S402-L406 PolarHBondContact O-N 3.42Å
403A94.5Very high90.1Very high0 Ų034.3 Ų34.30%015%0.152CC..Hα-helixtrans-59.3-41.8175.400000112.8G352 A355 Y394 H399 Y400 G407G352-A403 WeakPolarHBondContact O-CB 3.34Å; A355-A403 HydrophobicContact CB-CB 3.65Å; Y394-A403 HydrophobicContact CD1-CB 4.18Å; Y394-A403 HydrophobicContact CE1-CB 3.29Å; H399-A403 PolarHBondContact O-N 3.08Å; H399-A403 VanDerWaalsContact O-N 3.07Å; Y400-A403 PolarHBondContact O-N 3.32Å; A403-G407 PolarHBondContact O-N 3.16Å
404Y93.6Very high89.9Confident30 Ų3034.4 Ų34.412%0.11816%0.16CC..Hα-helixtrans-62.4-49.3174.5164.5-96.5000111.8W356 V359 Y400 F401 S402 L406 G407 R408 M438W356-Y404 AromaticContact CE3-CD2 3.79Å; W356-Y404 HydrophobicContact CE3-CD2 3.79Å; W356-Y404 AromaticContact CE3-CE2 3.45Å; W356-Y404 HydrophobicContact CE3-CE2 3.45Å; W356-Y404 VanDerWaalsContact CE3-CE2 3.45Å; W356-Y404 HydrophobicContact CZ3-CD2 4.36Å; W356-Y404 AromaticContact CZ3-CE2 3.57Å; W356-Y404 HydrophobicContact CZ3-CE2 3.57Å; V359-Y404 HydrophobicContact CB-CD2 3.78Å; V359-Y404 HydrophobicContact CB-CE2 3.86Å; V359-Y404 HydrophobicContact CG1-CD2 4.07Å; V359-Y404 HydrophobicContact CG1-CE2 3.64Å; V359-Y404 HydrophobicContact CG2-CD2 3.59Å; V359-Y404 HydrophobicContact CG2-CE2 4.05Å; V359-Y404 HydrophobicContact CG2-CG 4.33Å; Y400-Y404 PolarHBondContact O-N 3.07Å; F401-Y404 HydrophobicContact CD2-CD1 4.03Å; F401-Y404 HydrophobicContact CE2-CD1 4.05Å; F401-Y404 HydrophobicContact CE2-CE1 4.39Å; F401-Y404 PolarHBondContact O-N 3.25Å; S402-Y404 VanDerWaalsContact C-N 3.34Å; S402-Y404 PolarHBondContact O-N 3.48Å; Y404-L406 VanDerWaalsContact C-N 3.35Å; Y404-L406 PolarHBondContact O-N 3.44Å; Y404-G407 PolarHBondContact O-N 3.42Å; Y404-R408 WeakPolarHBondContact O-CB 3.37Å; Y404-R408 PolarHBondContact O-N 3.4Å; Y404-M438 HydrophobicContact CE1-CE 3.95Å; Y404-M438 HydrophobicContact CE1-SD 4.09Å
405S92.4Very high89.4Confident6 Ų641.8 Ų41.84%0.04219%0.194CC..Hα-helixtrans-59.7-46.1-177.6-68.90000111.4F401 S402 R408 L409 Y431F401-S405 WeakPolarHBondContact CZ-OG 3.24Å; F401-S405 WeakPolarHBondContact O-CB 3.4Å; F401-S405 PolarHBondContact O-N 2.99Å; F401-S405 PolarHBondContact O-OG 3.14Å; S402-S405 PolarHBondContact O-N 3.39Å; S405-R408 PolarHBondContact O-N 3.38Å; S405-L409 WeakPolarHBondContact O-CG 3.41Å; S405-L409 PolarHBondContact O-N 3.02Å; S405-Y431 PolarHBondContact OG-OH 3.1Å
406L93.6Very high89.2Confident0 Ų036.8 Ų36.80%017%0.174CC..Hα-helixtrans-74.5-37-178.6-67.5163000111.7F340 T344 C347 C348 I353 S402 Y404 R408 L409 Y410 Y429 L783F340-L406 HydrophobicContact CZ-CB 4.27Å; T344-L406 HydrophobicContact CG2-CD1 4.16Å; T344-L406 HydrophobicContact CG2-CD2 3.78Å; T344-L406 HydrophobicContact CG2-CG 4.47Å; C347-L406 HydrophobicContact CB-CD1 3.69Å; C348-L406 WeakPolarHBondContact SG-CD1 3.33Å; I353-L406 HydrophobicContact CG2-CB 4.3Å; S402-L406 WeakPolarHBondContact O-CB 3.31Å; S402-L406 WeakPolarHBondContact O-CD1 3.33Å; S402-L406 WeakPolarHBondContact O-CG 3.37Å; S402-L406 PolarHBondContact O-N 3.42Å; Y404-L406 VanDerWaalsContact C-N 3.35Å; Y404-L406 PolarHBondContact O-N 3.44Å; L406-R408 VanDerWaalsContact C-N 3.31Å; L406-R408 PolarHBondContact O-N 3.06Å; L406-L409 HydrophobicContact CD2-CD1 4.31Å; L406-L409 PolarHBondContact O-N 2.91Å; L406-Y410 PolarHBondContact O-N 3.45Å; L406-Y429 HydrophobicContact CD2-CD1 4.16Å; L406-Y429 HydrophobicContact CD2-CE1 4.49Å; L406-L783 HydrophobicContact CD1-CD1 3.95Å; L406-L783 HydrophobicContact CD2-CD1 4.42Å; L406-L783 HydrophobicContact CG-CD1 3.96Å
407G93.2Very high89Confident0 Ų043.6 Ų43.60%020%0.2CC..Hα-helixtrans-63.1-36.3172.800000113.4A403 Y404 Y410 W411A403-G407 PolarHBondContact O-N 3.16Å; Y404-G407 PolarHBondContact O-N 3.42Å; G407-Y410 PolarHBondContact O-N 3.25Å; G407-W411 WeakPolarHBondContact O-CB 3.31Å; G407-W411 PolarHBondContact O-N 2.77Å
408R91.3Very high88.9Confident32 Ų3243.1 Ų43.112%0.12120%0.204CC..Hα-helixtrans-63.4-45172.6-175.3170-179.1-91.4-1.4112.1W356 Y404 S405 L406 W411 Q412 D432W356-R408 HydrophobicContact CD2-CB 4.23Å; W356-R408 HydrophobicContact CE3-CB 3.6Å; W356-R408 HydrophobicContact CE3-CG 4.1Å; W356-R408 HydrophobicContact CH2-CB 4.16Å; W356-R408 HydrophobicContact CH2-CG 3.77Å; W356-R408 HydrophobicContact CZ3-CB 3.58Å; W356-R408 HydrophobicContact CZ3-CG 3.53Å; Y404-R408 WeakPolarHBondContact O-CB 3.37Å; Y404-R408 PolarHBondContact O-N 3.4Å; S405-R408 PolarHBondContact O-N 3.38Å; L406-R408 VanDerWaalsContact C-N 3.31Å; L406-R408 PolarHBondContact O-N 3.06Å; R408-W411 PolarHBondContact O-N 3.39Å; R408-Q412 WeakPolarHBondContact O-CG 3.38Å; R408-Q412 PolarHBondContact O-N 3.01Å; R408-D432 IonicContact CZ-OD1 3.19Å; R408-D432 IonicContact CZ-OD2 3.85Å; R408-D432 VanDerWaalsContact CZ-OD2 3.27Å; R408-D432 IonicContact NH1-OD1 2.86Å; R408-D432 PolarHBondContact NH1-OD1 3.08Å; R408-D432 IonicContact NH1-OD2 3.05Å; R408-D432 PolarHBondContact NH1-OD2 2.8Å; R408-D432 VanDerWaalsContact NH1-OD2 3.15Å; R408-D432 IonicContact NH2-OD1 2.91Å; R408-D432 PolarHBondContact NH2-OD1 2.63Å; R408-D432 IonicContact NH2-OD2 3.6Å; R408-D432 PolarHBondContact NH2-OD2 3.15Å
409L89.6Confident88.9Confident15 Ų1544.4 Ų44.48%0.07921%0.211CC..Hα-helixtrans-62.4-45.9176.4-71.8171.2000111.5S405 L406 W411 Q412 S413 K430 A779S405-L409 WeakPolarHBondContact O-CG 3.41Å; S405-L409 PolarHBondContact O-N 3.02Å; L406-L409 HydrophobicContact CD2-CD1 4.31Å; L406-L409 PolarHBondContact O-N 2.91Å; L409-W411 VanDerWaalsContact C-N 3.32Å; L409-W411 PolarHBondContact O-N 3.17Å; L409-Q412 PolarHBondContact O-N 3.12Å; L409-S413 WeakPolarHBondContact O-CB 3.47Å; L409-S413 PolarHBondContact O-N 3.02Å; L409-K430 WeakPolarHBondContact CD2-O 3.35Å; L409-A779 HydrophobicContact CD1-CB 3.57Å
410Y90.9Very high88.8Confident76 Ų7646 Ų4630%0.29822%0.223SC..Hα-helixtrans-54.2-49.8172.8168.8-98000111.2Y337 F340 I353 L406 G407 Q412 S413 S414Y337-Y410 HydrophobicContact CD1-CD2 4.05Å; Y337-Y410 AromaticContact CD1-CE2 3.57Å; Y337-Y410 HydrophobicContact CD1-CE2 3.57Å; Y337-Y410 HydrophobicContact CE1-CD2 4.06Å; Y337-Y410 AromaticContact CE1-CE2 3.52Å; Y337-Y410 HydrophobicContact CE1-CE2 3.52Å; Y337-Y410 HydrophobicContact CG-CE2 4.18Å; F340-Y410 HydrophobicContact CE1-CD2 4.45Å; I353-Y410 HydrophobicContact CD1-CD1 3.54Å; I353-Y410 HydrophobicContact CD1-CE1 4.16Å; I353-Y410 HydrophobicContact CD1-CG 3.83Å; L406-Y410 PolarHBondContact O-N 3.45Å; G407-Y410 PolarHBondContact O-N 3.25Å; Y410-Q412 PolarHBondContact O-N 3.49Å; Y410-S413 PolarHBondContact O-N 3.11Å; Y410-S413 PolarHBondContact O-OG 3.32Å; Y410-S414 PolarHBondContact O-N 2.86Å; Y410-S414 VanDerWaalsContact O-N 3.12Å
411W88.9Confident88.5Confident111 Ų11147.2 Ų47.242%0.4224%0.235SC..Hα-helixtrans-61.1-41.9179.2-176.5-88.5000112.7W356 G407 R408 L409 S414W356-W411 AromaticContact CE2-CG 3.98Å; W356-W411 HydrophobicContact CZ2-CB 4.14Å; W356-W411 AromaticContact CZ2-CD1 3.93Å; W356-W411 AromaticContact CZ2-CG 3.94Å; W356-W411 HydrophobicContact CZ2-CG 3.94Å; W356-W411 AromaticContact NE1-CD2 3.72Å; W356-W411 AromaticContact NE1-CE3 3.87Å; W356-W411 AromaticContact NE1-CG 3.55Å; G407-W411 WeakPolarHBondContact O-CB 3.31Å; G407-W411 PolarHBondContact O-N 2.77Å; R408-W411 PolarHBondContact O-N 3.39Å; L409-W411 VanDerWaalsContact C-N 3.32Å; L409-W411 PolarHBondContact O-N 3.17Å; W411-S414 WeakPolarHBondContact O-CB 3.42Å; W411-S414 PolarHBondContact O-N 2.99Å; W411-S414 PolarHBondContact O-OG 2.92Å
412Q86.7Confident88.4Confident66 Ų6647.1 Ų47.131%0.30823%0.234SC..Hα-helixtrans-65-40.3176.9-73.1175-39.200111.8R408 L409 Y410 S414 Q415 D432R408-Q412 WeakPolarHBondContact O-CG 3.38Å; R408-Q412 PolarHBondContact O-N 3.01Å; L409-Q412 PolarHBondContact O-N 3.12Å; Y410-Q412 PolarHBondContact O-N 3.49Å; Q412-S414 PolarHBondContact O-N 3.46Å; Q412-Q415 PolarHBondContact O-N 3.4Å; Q412-D432 PolarHBondContact NE2-OD2 2.94Å
413S85.4Confident88.2Confident5 Ų548.8 Ų48.84%0.03524%0.239CC..Hα-helixtrans-66.3-21.9177.381.80000113.4L409 Y410 Q415 C416 L422 L426L409-S413 WeakPolarHBondContact O-CB 3.47Å; L409-S413 PolarHBondContact O-N 3.02Å; Y410-S413 PolarHBondContact O-N 3.11Å; Y410-S413 PolarHBondContact O-OG 3.32Å; S413-Q415 PolarHBondContact O-N 3.23Å; S413-C416 VanDerWaalsContact O-CB 3.24Å; S413-C416 WeakPolarHBondContact O-CB 3.23Å; S413-C416 PolarHBondContact O-N 3.18Å; S413-C416 PolarHBondContact O-SG 2.84Å; S413-C416 VanDerWaalsContact O-SG 3.35Å; S413-L422 VanDerWaalsContact O-CD1 3.25Å; S413-L422 WeakPolarHBondContact O-CD1 3.24Å; S413-L426 WeakPolarHBondContact OG-CD2 3.49Å
414S79.5Confident88Confident48 Ų4852.2 Ų52.234%0.33626%0.256SS..THydrogen-bonded Turntrans-60.3-20.817874.20000113.1R333 Y410 W411 Q412 C416R333-S414 PolarHBondContact NH2-O 3.43Å; Y410-S414 PolarHBondContact O-N 2.86Å; Y410-S414 VanDerWaalsContact O-N 3.12Å; W411-S414 WeakPolarHBondContact O-CB 3.42Å; W411-S414 PolarHBondContact O-N 2.99Å; W411-S414 PolarHBondContact O-OG 2.92Å; Q412-S414 PolarHBondContact O-N 3.46Å; S414-C416 VanDerWaalsContact C-N 3.29Å
415Q78.6Confident87.7Confident154 Ų15452.9 Ų52.972%0.7227%0.267SS*.THydrogen-bonded Turntrans-76.9-11.2175.8-57.8-177.72.800113.5Q412 S413 E417Q412-Q415 PolarHBondContact O-N 3.4Å; S413-Q415 PolarHBondContact O-N 3.23Å; Q415-E417 PolarHBondContact O-N 3.2Å
416C83.4Confident87.6Confident28 Ų2852.8 Ų52.819%0.18927%0.266CS..  trans-65.8122.6174.5-64.20000110.1R333 S413 S414 L422R333-C416 PolarHBondContact NH1-O 3.05Å; R333-C416 PolarHBondContact NH2-O 3.03Å; S413-C416 VanDerWaalsContact O-CB 3.24Å; S413-C416 WeakPolarHBondContact O-CB 3.23Å; S413-C416 PolarHBondContact O-N 3.18Å; S413-C416 PolarHBondContact O-SG 2.84Å; S413-C416 VanDerWaalsContact O-SG 3.35Å; S414-C416 VanDerWaalsContact C-N 3.29Å; C416-L422 HydrophobicContact CB-CB 3.88Å; C416-L422 HydrophobicContact CB-CD1 4.19Å
417E82.4Confident87.4Confident188 Ų18853 Ų5388%0.87927%0.268SS*.SBendtrans-74.5-38.1179.1-64.7-173.3171.900111.5Q415Q415-E417 PolarHBondContact O-N 3.2Å
418D88Confident87Confident68 Ų6854.3 Ų54.336%0.36427%0.274SS..SBendtrans-107.9152.1-17774.698.7000113.5T420 S421 L422D418-T420 VanDerWaalsContact C-N 3.29Å; D418-T420 PolarHBondContact O-N 2.82Å; D418-T420 WeakPolarHBondContact OD1-CA 3.41Å; D418-T420 VanDerWaalsContact OD1-CB 3.29Å; D418-T420 WeakPolarHBondContact OD1-CB 3.29Å; D418-T420 PolarHBondContact OD1-N 3.33Å; D418-T420 VanDerWaalsContact OD1-N 3.08Å; D418-S421 VanDerWaalsContact CG-OG 3.24Å; D418-S421 PolarHBondContact OD1-N 2.77Å; D418-S421 PolarHBondContact OD1-OG 3.25Å; D418-S421 WeakPolarHBondContact OD2-CB 3.24Å; D418-S421 PolarHBondContact OD2-OG 3.1Å; D418-L422 WeakPolarHBondContact O-CB 3.16Å; D418-L422 PolarHBondContact O-N 3.35Å; D418-L422 VanDerWaalsContact O-N 3.12Å
419N87.9Confident86.7Confident42 Ų4253 Ų5323%0.22527%0.269CS..Hα-helixtrans-67.9-26.6-178.2-70.3-17000113E332 I336 R423E332-N419 HydrophobicContact CG-CB 4.45Å; E332-N419 PolarHBondContact OE2-ND2 2.81Å; I336-N419 HydrophobicContact CD1-CB 3.84Å; I336-N419 VanDerWaalsContact CD1-O 3.24Å; I336-N419 WeakPolarHBondContact CD1-O 3.47Å; N419-R423 VanDerWaalsContact O-CB 3.27Å; N419-R423 WeakPolarHBondContact O-CB 3.42Å; N419-R423 PolarHBondContact O-N 2.82Å
420T88.1Confident86.5Confident63 Ų6357.9 Ų57.939%0.38729%0.29SS..Hα-helixtrans-71.5-53.1-179-46.50000109.9D418 L422 R423 E424D418-T420 VanDerWaalsContact C-N 3.29Å; D418-T420 PolarHBondContact O-N 2.82Å; D418-T420 WeakPolarHBondContact OD1-CA 3.41Å; D418-T420 VanDerWaalsContact OD1-CB 3.29Å; D418-T420 WeakPolarHBondContact OD1-CB 3.29Å; D418-T420 PolarHBondContact OD1-N 3.33Å; D418-T420 VanDerWaalsContact OD1-N 3.08Å; T420-L422 VanDerWaalsContact C-N 3.27Å; T420-L422 PolarHBondContact O-N 3.26Å; T420-R423 PolarHBondContact O-N 3.1Å; T420-R423 VanDerWaalsContact O-N 3.15Å; T420-E424 WeakPolarHBondContact O-CG 3.24Å; T420-E424 PolarHBondContact O-N 3.29Å
421S86.5Confident86.1Confident50 Ų5055.7 Ų55.735%0.3528%0.281SS..Hα-helixtrans-59.2-39.2175-57.60000111.8D418 A425D418-S421 VanDerWaalsContact CG-OG 3.24Å; D418-S421 PolarHBondContact OD1-N 2.77Å; D418-S421 PolarHBondContact OD1-OG 3.25Å; D418-S421 WeakPolarHBondContact OD2-CB 3.24Å; D418-S421 PolarHBondContact OD2-OG 3.1Å; S421-A425 VanDerWaalsContact O-CB 3.24Å; S421-A425 WeakPolarHBondContact O-CB 3.45Å; S421-A425 PolarHBondContact O-N 3.07Å
422L89.3Confident85.9Confident0 Ų052.9 Ų52.90%027%0.274CS..Hα-helixtrans-62.4-47.1175.4-179.767.5000111.7R333 I336 Y337 S413 C416 D418 T420 A425 L426R333-L422 HydrophobicContact CG-CD2 3.59Å; I336-L422 HydrophobicContact CB-CD2 4.5Å; I336-L422 HydrophobicContact CD1-CD2 4.26Å; I336-L422 HydrophobicContact CG2-CD2 4.2Å; I336-L422 HydrophobicContact CG2-CG 4.04Å; Y337-L422 HydrophobicContact CE1-CD1 4.04Å; Y337-L422 HydrophobicContact CE1-CD2 3.94Å; Y337-L422 HydrophobicContact CE1-CG 4.44Å; S413-L422 VanDerWaalsContact O-CD1 3.25Å; S413-L422 WeakPolarHBondContact O-CD1 3.24Å; C416-L422 HydrophobicContact CB-CB 3.88Å; C416-L422 HydrophobicContact CB-CD1 4.19Å; D418-L422 WeakPolarHBondContact O-CB 3.16Å; D418-L422 PolarHBondContact O-N 3.35Å; D418-L422 VanDerWaalsContact O-N 3.12Å; T420-L422 VanDerWaalsContact C-N 3.27Å; T420-L422 PolarHBondContact O-N 3.26Å; L422-A425 PolarHBondContact O-N 3.18Å; L422-L426 HydrophobicContact CD1-CD1 3.91Å; L422-L426 HydrophobicContact CD1-CG 4.3Å; L422-L426 HydrophobicContact CG-CD1 4.2Å; L422-L426 WeakPolarHBondContact O-CB 3.24Å; L422-L426 WeakPolarHBondContact O-CG 3.37Å; L422-L426 PolarHBondContact O-N 2.85Å
423R89Confident85.8Confident42 Ų4254.3 Ų54.316%0.15829%0.292CS..Hα-helixtrans-61.5-47.4178.4-176.3177.4-73.2131.63.3110.7E332 I336 N419 T420 L426 T427E332-R423 IonicContact OE1-CZ 3.45Å; E332-R423 IonicContact OE1-NH1 3.76Å; E332-R423 PolarHBondContact OE1-NH1 3.18Å; E332-R423 IonicContact OE1-NH2 3.41Å; E332-R423 PolarHBondContact OE1-NH2 3.28Å; I336-R423 HydrophobicContact CD1-CB 3.96Å; I336-R423 HydrophobicContact CG1-CB 4.14Å; I336-R423 HydrophobicContact CG1-CG 4.47Å; I336-R423 HydrophobicContact CG2-CB 4.3Å; N419-R423 VanDerWaalsContact O-CB 3.27Å; N419-R423 WeakPolarHBondContact O-CB 3.42Å; N419-R423 PolarHBondContact O-N 2.82Å; T420-R423 PolarHBondContact O-N 3.1Å; T420-R423 VanDerWaalsContact O-N 3.15Å; R423-L426 PolarHBondContact O-N 3.07Å; R423-T427 VanDerWaalsContact O-CB 3.24Å; R423-T427 WeakPolarHBondContact O-CB 3.27Å; R423-T427 PolarHBondContact O-N 3.44Å; R423-T427 PolarHBondContact O-OG1 3.4Å
424E88.9Confident85.7Confident73 Ų7355.8 Ų55.834%0.34130%0.304SS..Hα-helixtrans-60.5-46.9177-72.7-179.7-171.200111.9T420 L426 T427 L428 L771T420-E424 WeakPolarHBondContact O-CG 3.24Å; T420-E424 PolarHBondContact O-N 3.29Å; E424-L426 PolarHBondContact O-N 3.48Å; E424-T427 PolarHBondContact O-N 2.88Å; E424-L428 WeakPolarHBondContact O-CB 3.4Å; E424-L428 VanDerWaalsContact O-CG 3.3Å; E424-L428 WeakPolarHBondContact O-CG 3.41Å; E424-L428 PolarHBondContact O-N 2.81Å; E424-L771 HydrophobicContact CG-CD2 4.16Å
425A88Confident86.1Confident43 Ų4353.6 Ų53.636%0.35529%0.29SS..Hα-helixtrans-59.8-45179.400000112.3S421 L422 T427 Y429S421-A425 VanDerWaalsContact O-CB 3.24Å; S421-A425 WeakPolarHBondContact O-CB 3.45Å; S421-A425 PolarHBondContact O-N 3.07Å; L422-A425 PolarHBondContact O-N 3.18Å; A425-T427 VanDerWaalsContact C-N 3.35Å; A425-Y429 PolarHBondContact O-N 3.08Å
426L90.5Very high86.5Confident5 Ų547.5 Ų47.53%0.02626%0.264CS..Hα-helixtrans-78.3-15.8179.5-68.4-178.6000113.9I336 Y337 F340 S413 L422 R423 E424 Y429I336-L426 HydrophobicContact CG2-CD1 3.98Å; Y337-L426 HydrophobicContact CD1-CD1 3.79Å; Y337-L426 HydrophobicContact CE1-CD1 3.95Å; F340-L426 HydrophobicContact CB-CD1 4.23Å; F340-L426 HydrophobicContact CD2-CB 4.1Å; F340-L426 HydrophobicContact CD2-CD1 4.49Å; F340-L426 HydrophobicContact CD2-CD2 3.7Å; F340-L426 HydrophobicContact CD2-CG 4.31Å; F340-L426 HydrophobicContact CE2-CD2 3.82Å; F340-L426 HydrophobicContact CG-CD1 4.38Å; F340-L426 HydrophobicContact CG-CD2 4.27Å; F340-L426 HydrophobicContact CZ-CD2 4.5Å; S413-L426 WeakPolarHBondContact OG-CD2 3.49Å; L422-L426 HydrophobicContact CD1-CD1 3.91Å; L422-L426 HydrophobicContact CD1-CG 4.3Å; L422-L426 HydrophobicContact CG-CD1 4.2Å; L422-L426 WeakPolarHBondContact O-CB 3.24Å; L422-L426 WeakPolarHBondContact O-CG 3.37Å; L422-L426 PolarHBondContact O-N 2.85Å; R423-L426 PolarHBondContact O-N 3.07Å; E424-L426 PolarHBondContact O-N 3.48Å; L426-Y429 WeakPolarHBondContact O-CE1 3.47Å; L426-Y429 WeakPolarHBondContact O-CE2 3.48Å
427T88.5Confident86.6Confident5 Ų552.9 Ų52.93%0.03128%0.28CS..Hα-helixtrans-86-37.8173.5-58.20000111.7R423 E424 A425 Y429 S762 M763 L771R423-T427 VanDerWaalsContact O-CB 3.24Å; R423-T427 WeakPolarHBondContact O-CB 3.27Å; R423-T427 PolarHBondContact O-N 3.44Å; R423-T427 PolarHBondContact O-OG1 3.4Å; E424-T427 PolarHBondContact O-N 2.88Å; A425-T427 VanDerWaalsContact C-N 3.35Å; T427-Y429 WeakPolarHBondContact O-CD2 3.25Å; T427-Y429 VanDerWaalsContact O-CE2 3.3Å; T427-Y429 WeakPolarHBondContact O-CE2 3.44Å; T427-S762 VanDerWaalsContact CG2-O 3.24Å; T427-S762 WeakPolarHBondContact CG2-O 3.31Å; T427-M763 HydrophobicContact CG2-SD 4.33Å; T427-M763 WeakPolarHBondContact O-CE 3.46Å; T427-L771 HydrophobicContact CG2-CD1 3.79Å
428L86.4Confident86.9Confident27 Ų2746.1 Ų46.114%0.14125%0.249CC..Hα-helixtrans-76-29.2-179.2-71.2169.1000112.9E424 K430 M763 L771 S778E424-L428 WeakPolarHBondContact O-CB 3.4Å; E424-L428 VanDerWaalsContact O-CG 3.3Å; E424-L428 WeakPolarHBondContact O-CG 3.41Å; E424-L428 PolarHBondContact O-N 2.81Å; L428-K430 HydrophobicContact CB-CD 4.42Å; L428-K430 HydrophobicContact CB-CG 4.12Å; L428-K430 HydrophobicContact CD1-CD 4.4Å; L428-K430 PolarHBondContact O-N 3.22Å; L428-K430 VanDerWaalsContact O-N 3.11Å; L428-M763 HydrophobicContact CD2-SD 3.98Å; L428-L771 HydrophobicContact CD2-CB 4.45Å; L428-L771 HydrophobicContact CD2-CD1 4.43Å; L428-L771 HydrophobicContact CG-CD1 4.48Å; L428-S778 WeakPolarHBondContact O-CB 3.34Å
429Y85.1Confident87Confident4 Ų443 Ų432%0.01623%0.232CC..  trans47.936.4-175.3-52-87.1000113.9F340 Q343 T344 L406 A425 L426 T427 Y431 A779 R780F340-Y429 HydrophobicContact CD2-CD1 4.33Å; F340-Y429 AromaticContact CD2-CE1 3.52Å; F340-Y429 HydrophobicContact CD2-CE1 3.52Å; F340-Y429 AromaticContact CE2-CD1 3.95Å; F340-Y429 HydrophobicContact CE2-CD1 3.95Å; F340-Y429 AromaticContact CE2-CE1 3.48Å; F340-Y429 HydrophobicContact CE2-CE1 3.48Å; F340-Y429 VanDerWaalsContact CE2-CE1 3.48Å; Q343-Y429 WeakPolarHBondContact CB-OH 3.47Å; Q343-Y429 PolarHBondContact OE1-OH 3.36Å; T344-Y429 HydrophobicContact CG2-CD1 4.44Å; T344-Y429 HydrophobicContact CG2-CE1 3.54Å; L406-Y429 HydrophobicContact CD2-CD1 4.16Å; L406-Y429 HydrophobicContact CD2-CE1 4.49Å; A425-Y429 PolarHBondContact O-N 3.08Å; L426-Y429 WeakPolarHBondContact O-CE1 3.47Å; L426-Y429 WeakPolarHBondContact O-CE2 3.48Å; T427-Y429 WeakPolarHBondContact O-CD2 3.25Å; T427-Y429 VanDerWaalsContact O-CE2 3.3Å; T427-Y429 WeakPolarHBondContact O-CE2 3.44Å; Y429-Y431 PolarHBondContact O-N 3.19Å; Y429-A779 WeakPolarHBondContact O-CB 3.43Å; Y429-A779 PolarHBondContact O-N 2.91Å; Y429-R780 HydrophobicContact CD2-CB 4.28Å; Y429-R780 HydrophobicContact CE2-CB 4.48Å; Y429-R780 HydrophobicContact CG-CB 4.34Å
430K84.3Confident87Confident117 Ų11745.2 Ų45.251%0.50924%0.242SC..BIsolated β-bridgetrans-65.9121.9-176.5-79.8176.5-178.8-179.70110.3L409 L428 D432L409-K430 WeakPolarHBondContact CD2-O 3.35Å; L428-K430 HydrophobicContact CB-CD 4.42Å; L428-K430 HydrophobicContact CB-CG 4.12Å; L428-K430 HydrophobicContact CD1-CD 4.4Å; L428-K430 PolarHBondContact O-N 3.22Å; L428-K430 VanDerWaalsContact O-N 3.11Å; K430-D432 PolarHBondContact O-N 3.21Å
431Y83.4Confident86.8Confident31 Ų3148.1 Ų48.112%0.12225%0.251CS..  trans-61136.6164-81.1-57.7000109.7S405 Y429 F439 A779 R782S405-Y431 PolarHBondContact OG-OH 3.1Å; Y429-Y431 PolarHBondContact O-N 3.19Å; Y431-F439 HydrophobicContact CE2-CB 4.1Å; Y431-F439 HydrophobicContact CE2-CD2 4.11Å; Y431-F439 HydrophobicContact CE2-CG 4.11Å; Y431-A779 HydrophobicContact CD1-CB 4.15Å; Y431-A779 HydrophobicContact CD2-CB 3.9Å; Y431-A779 HydrophobicContact CE1-CB 3.79Å; Y431-A779 VanDerWaalsContact CE2-CA 3.49Å; Y431-A779 HydrophobicContact CE2-CB 3.51Å; Y431-A779 HydrophobicContact CG-CB 4.2Å; Y431-A779 VanDerWaalsContact CZ-CB 3.45Å; Y431-R782 HydrophobicContact CE2-CB 4.43Å
432D84.5Confident86.8Confident51 Ų5147.8 Ų47.827%0.27325%0.245SC..  trans-74.6175.4159.269.35.6000110.6R408 Q412 K430 A434 G435 S436R408-D432 IonicContact CZ-OD1 3.19Å; R408-D432 IonicContact CZ-OD2 3.85Å; R408-D432 VanDerWaalsContact CZ-OD2 3.27Å; R408-D432 IonicContact NH1-OD1 2.86Å; R408-D432 PolarHBondContact NH1-OD1 3.08Å; R408-D432 IonicContact NH1-OD2 3.05Å; R408-D432 PolarHBondContact NH1-OD2 2.8Å; R408-D432 VanDerWaalsContact NH1-OD2 3.15Å; R408-D432 IonicContact NH2-OD1 2.91Å; R408-D432 PolarHBondContact NH2-OD1 2.63Å; R408-D432 IonicContact NH2-OD2 3.6Å; R408-D432 PolarHBondContact NH2-OD2 3.15Å; Q412-D432 PolarHBondContact NE2-OD2 2.94Å; K430-D432 PolarHBondContact O-N 3.21Å; D432-A434 PolarHBondContact O-N 3.12Å; D432-A434 PolarHBondContact OD1-N 3.35Å; D432-G435 PolarHBondContact O-N 3.01Å; D432-G435 VanDerWaalsContact O-N 3.16Å; D432-G435 PolarHBondContact OD1-N 3.15Å; D432-S436 PolarHBondContact O-N 3.39Å
433S83.4Confident86.6Confident96 Ų9647.8 Ų47.867%0.67125%0.245SC*.Hα-helixtrans-60.1-31.6-176.260.40000113.8R437S433-R437 WeakPolarHBondContact O-CB 3.2Å; S433-R437 PolarHBondContact O-N 3.34Å
434A84.9Confident86.3Confident36 Ų3645.9 Ų45.930%0.29824%0.238SC..Hα-helixtrans-76.2-41.9176.500000111.6D432 R437 M438D432-A434 PolarHBondContact O-N 3.12Å; D432-A434 PolarHBondContact OD1-N 3.35Å; A434-R437 PolarHBondContact O-N 3.01Å; A434-M438 WeakPolarHBondContact O-CG 3.29Å; A434-M438 PolarHBondContact O-N 2.93Å
435G86.5Confident85.4Confident3 Ų343.1 Ų43.13%0.03123%0.229CC..Hα-helixtrans-62.3-44.8176.200000112.5D432 R437 M438 F439D432-G435 PolarHBondContact O-N 3.01Å; D432-G435 VanDerWaalsContact O-N 3.16Å; D432-G435 PolarHBondContact OD1-N 3.15Å; G435-R437 VanDerWaalsContact C-N 3.34Å; G435-R437 PolarHBondContact O-N 3.34Å; G435-M438 PolarHBondContact O-N 3.43Å; G435-F439 WeakPolarHBondContact O-CB 3.48Å; G435-F439 PolarHBondContact O-N 2.69Å
436S87.2Confident84.3Confident26 Ų2645.8 Ų45.818%0.18225%0.245CC..Hα-helixtrans-61.5-44.7176.8-164.30000110.9D432 F439 E440 R782D432-S436 PolarHBondContact O-N 3.39Å; S436-F439 PolarHBondContact O-N 3.19Å; S436-E440 WeakPolarHBondContact O-CB 3.39Å; S436-E440 VanDerWaalsContact O-CG 3.26Å; S436-E440 WeakPolarHBondContact O-CG 3.36Å; S436-E440 PolarHBondContact O-N 2.92Å; S436-E440 PolarHBondContact OG-OE1 3.2Å; S436-R782 PolarHBondContact OG-NH1 2.67Å
437R87Confident83.3Confident141 Ų14151.7 Ų51.753%0.53228%0.277SS..Hα-helixtrans-62.3-45.9178.6-164-168.2-43.3171.67.4112.3S433 A434 G435 F439 E440 E441S433-R437 WeakPolarHBondContact O-CB 3.2Å; S433-R437 PolarHBondContact O-N 3.34Å; A434-R437 PolarHBondContact O-N 3.01Å; G435-R437 VanDerWaalsContact C-N 3.34Å; G435-R437 PolarHBondContact O-N 3.34Å; R437-F439 VanDerWaalsContact C-N 3.33Å; R437-F439 PolarHBondContact O-N 3.36Å; R437-E440 PolarHBondContact O-N 3.34Å; R437-E441 WeakPolarHBondContact CD-OE1 3.44Å; R437-E441 WeakPolarHBondContact CG-OE1 3.21Å; R437-E441 WeakPolarHBondContact O-CB 3.41Å; R437-E441 WeakPolarHBondContact O-CG 3.34Å; R437-E441 PolarHBondContact O-N 3.31Å
438M88.5Confident82.4Confident46 Ų4653.8 Ų53.823%0.22728%0.284CS..Hα-helixtrans-61-42.5176.3-73.9-175.3-67.600111.7F401 Y404 A434 G435 E441 L442F401-M438 HydrophobicContact CE2-CB 4.39Å; F401-M438 HydrophobicContact CZ-CB 4.42Å; Y404-M438 HydrophobicContact CE1-CE 3.95Å; Y404-M438 HydrophobicContact CE1-SD 4.09Å; A434-M438 WeakPolarHBondContact O-CG 3.29Å; A434-M438 PolarHBondContact O-N 2.93Å; G435-M438 PolarHBondContact O-N 3.43Å; M438-E441 PolarHBondContact O-N 3.29Å; M438-L442 HydrophobicContact CB-CD1 4.3Å; M438-L442 VanDerWaalsContact O-CB 3.23Å; M438-L442 WeakPolarHBondContact O-CB 3.43Å; M438-L442 VanDerWaalsContact O-CG 3.28Å; M438-L442 WeakPolarHBondContact O-CG 3.44Å; M438-L442 PolarHBondContact O-N 2.93Å
439F89.5Confident81.9Confident1 Ų157.5 Ų57.50%0.00430%0.3CS..Hα-helixtrans-60.9-46175.1177.9-87.2000111.3F401 Y431 G435 S436 R437 E441 A443 A444 R782 L783 A786 F806F401-F439 HydrophobicContact CE1-CB 4.4Å; F401-F439 AromaticContact CE1-CD2 3.99Å; F401-F439 HydrophobicContact CE1-CD2 3.99Å; F401-F439 HydrophobicContact CZ-CB 4.33Å; Y431-F439 HydrophobicContact CE2-CB 4.1Å; Y431-F439 HydrophobicContact CE2-CD2 4.11Å; Y431-F439 HydrophobicContact CE2-CG 4.11Å; G435-F439 WeakPolarHBondContact O-CB 3.48Å; G435-F439 PolarHBondContact O-N 2.69Å; S436-F439 PolarHBondContact O-N 3.19Å; R437-F439 VanDerWaalsContact C-N 3.33Å; R437-F439 PolarHBondContact O-N 3.36Å; F439-E441 PolarHBondContact O-N 3.22Å; F439-A443 HydrophobicContact CD2-CB 4.07Å; F439-A443 HydrophobicContact CE2-CB 3.97Å; F439-A443 HydrophobicContact CZ-CB 4.37Å; F439-A443 WeakPolarHBondContact O-CA 3.4Å; F439-A443 WeakPolarHBondContact O-CB 3.42Å; F439-A443 PolarHBondContact O-N 2.77Å; F439-A444 HydrophobicContact CD1-CB 4.03Å; F439-A444 HydrophobicContact CE1-CB 3.7Å; F439-A444 PolarHBondContact O-N 2.89Å; F439-R782 HydrophobicContact CD2-CB 4.41Å; F439-R782 HydrophobicContact CE1-CB 4.07Å; F439-R782 HydrophobicContact CE2-CB 3.79Å; F439-R782 HydrophobicContact CZ-CB 3.61Å; F439-R782 HydrophobicContact CZ-CG 4.49Å; F439-R782 WeakPolarHBondContact CZ-O 3.33Å; F439-L783 HydrophobicContact CD2-CD2 4.21Å; F439-L783 HydrophobicContact CE2-CD2 4.17Å; F439-A786 HydrophobicContact CE2-CB 4.13Å; F439-A786 HydrophobicContact CZ-CB 4.04Å; F439-F806 HydrophobicContact CE1-CD1 4.12Å; F439-F806 AromaticContact CE1-CE1 3.89Å; F439-F806 HydrophobicContact CE1-CE1 3.89Å; F439-F806 HydrophobicContact CE1-CE2 4.39Å; F439-F806 HydrophobicContact CE1-CG 4.48Å; F439-F806 HydrophobicContact CE1-CZ 4.04Å; F439-F806 AromaticContact CZ-CE1 3.88Å; F439-F806 HydrophobicContact CZ-CE1 3.88Å; F439-F806 HydrophobicContact CZ-CE2 4.16Å; F439-F806 AromaticContact CZ-CZ 3.66Å; F439-F806 HydrophobicContact CZ-CZ 3.66Å
440E87.2Confident81.7Confident90 Ų9059 Ų5942%0.42131%0.306SS..Iπ-helixtrans-61.1-44.1179.2-74.9164.1-147.200112.2S436 R437 A444 G445S436-E440 WeakPolarHBondContact O-CB 3.39Å; S436-E440 VanDerWaalsContact O-CG 3.26Å; S436-E440 WeakPolarHBondContact O-CG 3.36Å; S436-E440 PolarHBondContact O-N 2.92Å; S436-E440 PolarHBondContact OG-OE1 3.2Å; R437-E440 PolarHBondContact O-N 3.34Å; E440-A444 CarbonylContact O-C 3.49Å; E440-G445 WeakPolarHBondContact O-CA 3.38Å; E440-G445 PolarHBondContact O-N 3.23Å
441E85.4Confident81.3Confident124 Ų12455.9 Ų55.958%0.57930%0.301SS*.Iπ-helixtrans-73.5-41-178.8-71.5171.5-174.700112.7R437 M438 F439R437-E441 WeakPolarHBondContact CD-OE1 3.44Å; R437-E441 WeakPolarHBondContact CG-OE1 3.21Å; R437-E441 WeakPolarHBondContact O-CB 3.41Å; R437-E441 WeakPolarHBondContact O-CG 3.34Å; R437-E441 PolarHBondContact O-N 3.31Å; M438-E441 PolarHBondContact O-N 3.29Å; F439-E441 PolarHBondContact O-N 3.22Å
442L86.3Confident81.1Confident42 Ų4258.9 Ų58.922%0.2232%0.323CS..Iπ-helixtrans-97.5-35.5-167.7-59.5169.4000114F401 M438 F449 Y450F401-L442 HydrophobicContact CD2-CD1 4.35Å; F401-L442 HydrophobicContact CE2-CD1 3.94Å; M438-L442 HydrophobicContact CB-CD1 4.3Å; M438-L442 VanDerWaalsContact O-CB 3.23Å; M438-L442 WeakPolarHBondContact O-CB 3.43Å; M438-L442 VanDerWaalsContact O-CG 3.28Å; M438-L442 WeakPolarHBondContact O-CG 3.44Å; M438-L442 PolarHBondContact O-N 2.93Å; L442-F449 HydrophobicContact CD2-CD1 4.28Å; L442-Y450 HydrophobicContact CB-CD2 3.71Å; L442-Y450 HydrophobicContact CB-CE2 3.43Å; L442-Y450 VanDerWaalsContact CB-CE2 3.43Å; L442-Y450 HydrophobicContact CB-CG 4.5Å; L442-Y450 HydrophobicContact CD1-CE2 3.94Å; L442-Y450 HydrophobicContact CG-CE2 4.18Å; L442-Y450 PolarHBondContact O-N 3.41Å
443A84.8Confident81.1Confident0 Ų059.3 Ų59.30%033%0.325CS..Iπ-helixtrans-110.4-41.5-174.400000112.7M398 F401 F439 A786 H790M398-A443 HydrophobicContact CE-CB 4.12Å; M398-A443 HydrophobicContact SD-CB 3.88Å; F401-A443 HydrophobicContact CE1-CB 4.27Å; F439-A443 HydrophobicContact CD2-CB 4.07Å; F439-A443 HydrophobicContact CE2-CB 3.97Å; F439-A443 HydrophobicContact CZ-CB 4.37Å; F439-A443 WeakPolarHBondContact O-CA 3.4Å; F439-A443 WeakPolarHBondContact O-CB 3.42Å; F439-A443 PolarHBondContact O-N 2.77Å; A443-A786 HydrophobicContact CB-CB 4.42Å; A443-H790 PolarHBondContact O-CE1 2.99Å; A443-H790 PolarHBondContact O-NE2 3.36Å
444A82.3Confident81.1Confident2 Ų258.5 Ų58.52%0.01732%0.318CS..Iπ-helixtrans-89.4-28.2-172.400000114.1F439 E440 F806 F807F439-A444 HydrophobicContact CD1-CB 4.03Å; F439-A444 HydrophobicContact CE1-CB 3.7Å; F439-A444 PolarHBondContact O-N 2.89Å; E440-A444 CarbonylContact O-C 3.49Å; A444-F806 HydrophobicContact CB-CB 4.08Å; A444-F806 HydrophobicContact CB-CD2 3.85Å; A444-F806 HydrophobicContact CB-CG 4.05Å; A444-F807 VanDerWaalsContact O-CE1 3.25Å; A444-F807 WeakPolarHBondContact O-CE1 3.47Å; A444-F807 WeakPolarHBondContact O-CZ 3.46Å
445G68.9Low81.3Confident16 Ų1659.5 Ų59.517%0.16531%0.313CS..SBendtrans-50.2157.3-170.800000115.1E440 D447 R448E440-G445 WeakPolarHBondContact O-CA 3.38Å; E440-G445 PolarHBondContact O-N 3.23Å; G445-D447 PolarHBondContact O-N 3.46Å; G445-D447 VanDerWaalsContact O-N 3.13Å; G445-R448 WeakPolarHBondContact O-CA 3.31Å; G445-R448 WeakPolarHBondContact O-CG 3.4Å; G445-R448 PolarHBondContact O-N 3.41Å
446S65.4Low81.1Confident98 Ų9865.6 Ų65.669%0.68534%0.341SS*.THydrogen-bonded Turntrans-55.4-33.6178.754.90000112.7R448S446-R448 VanDerWaalsContact C-N 3.32Å
447D69.2Low80.6Confident130 Ų13068.5 Ų68.570%0.69536%0.359SS*.THydrogen-bonded Turntrans-94.35.9-176.8-56.2-4.3000111.6G445 F449 T452G445-D447 PolarHBondContact O-N 3.46Å; G445-D447 VanDerWaalsContact O-N 3.13Å; D447-F449 VanDerWaalsContact C-N 3.32Å; D447-F449 PolarHBondContact O-N 3.29Å; D447-T452 VanDerWaalsContact O-CG2 3.3Å; D447-T452 WeakPolarHBondContact O-CG2 3.32Å
448R71.1Confident79.9Confident48 Ų4866 Ų6618%0.18136%0.356CS..  trans25.365.5177.4-59.5179.7-173.1177.34.3112.7G445 S446 Y450 A451 T452 L789 E803G445-R448 WeakPolarHBondContact O-CA 3.31Å; G445-R448 WeakPolarHBondContact O-CG 3.4Å; G445-R448 PolarHBondContact O-N 3.41Å; S446-R448 VanDerWaalsContact C-N 3.32Å; R448-Y450 VanDerWaalsContact C-N 3.3Å; R448-Y450 PolarHBondContact O-N 3.48Å; R448-Y450 VanDerWaalsContact O-N 3.11Å; R448-A451 HydrophobicContact CB-CB 3.74Å; R448-A451 WeakPolarHBondContact O-CA 3.39Å; R448-A451 WeakPolarHBondContact O-CB 3.42Å; R448-A451 PolarHBondContact O-N 2.92Å; R448-T452 PolarHBondContact O-N 3.25Å; R448-T452 VanDerWaalsContact O-N 3.15Å; R448-L789 PolarHBondContact NH1-O 3.47Å; R448-E803 IonicContact NH2-OE1 3.43Å; R448-E803 PolarHBondContact NH2-OE1 2.92Å
449F75.9Confident79.2Confident106 Ų10670.2 Ų70.247%0.46539%0.385SS..Hα-helixtrans-49.8-48.4-165.9-173.2-108.3000112.9L442 D447 A451 T452 L453L442-F449 HydrophobicContact CD2-CD1 4.28Å; D447-F449 VanDerWaalsContact C-N 3.32Å; D447-F449 PolarHBondContact O-N 3.29Å; F449-A451 VanDerWaalsContact C-N 3.33Å; F449-A451 PolarHBondContact O-N 3.25Å; F449-T452 PolarHBondContact O-N 3.19Å; F449-T452 PolarHBondContact O-OG1 2.92Å; F449-L453 HydrophobicContact CD1-CD1 3.72Å; F449-L453 HydrophobicContact CD1-CG 4.29Å; F449-L453 HydrophobicContact CE1-CD1 3.24Å; F449-L453 HydrophobicContact CE1-CD2 4.48Å; F449-L453 HydrophobicContact CE1-CG 4.01Å; F449-L453 HydrophobicContact CE2-CD1 4.48Å; F449-L453 HydrophobicContact CE2-CD2 4.38Å; F449-L453 HydrophobicContact CE2-CG 4.45Å; F449-L453 HydrophobicContact CZ-CD1 3.68Å; F449-L453 HydrophobicContact CZ-CD2 4.08Å; F449-L453 HydrophobicContact CZ-CG 4.09Å; F449-L453 PolarHBondContact O-N 3.04Å; F449-L453 VanDerWaalsContact O-N 3.13Å
450Y81.3Confident78.4Confident36 Ų3675.7 Ų75.714%0.14142%0.418CS..Hα-helixtrans-64.5-30.8177-75.4-35.4000115.3W397 M398 F401 L442 R448 T452 L453W397-Y450 HydrophobicContact CB-CD1 3.53Å; W397-Y450 HydrophobicContact CB-CE1 4.19Å; W397-Y450 HydrophobicContact CB-CG 3.81Å; W397-Y450 HydrophobicContact CD2-CD1 4.23Å; W397-Y450 HydrophobicContact CD2-CE1 4.34Å; W397-Y450 HydrophobicContact CE3-CD1 4.28Å; W397-Y450 AromaticContact CE3-CE1 3.93Å; W397-Y450 HydrophobicContact CE3-CE1 3.93Å; W397-Y450 AromaticContact CG-CD1 3.95Å; W397-Y450 HydrophobicContact CG-CD1 3.95Å; W397-Y450 HydrophobicContact CG-CE1 4.48Å; M398-Y450 HydrophobicContact SD-CD2 4.28Å; F401-Y450 HydrophobicContact CB-CD2 4.03Å; F401-Y450 HydrophobicContact CB-CE2 3.44Å; F401-Y450 VanDerWaalsContact CB-CE2 3.44Å; F401-Y450 HydrophobicContact CD1-CD2 4.43Å; F401-Y450 HydrophobicContact CD1-CE2 4.04Å; F401-Y450 AromaticContact CD2-CE2 3.55Å; F401-Y450 HydrophobicContact CD2-CE2 3.55Å; F401-Y450 HydrophobicContact CE2-CE2 4.29Å; F401-Y450 HydrophobicContact CG-CD2 4.13Å; F401-Y450 AromaticContact CG-CE2 3.4Å; F401-Y450 HydrophobicContact CG-CE2 3.4Å; L442-Y450 HydrophobicContact CB-CD2 3.71Å; L442-Y450 HydrophobicContact CB-CE2 3.43Å; L442-Y450 VanDerWaalsContact CB-CE2 3.43Å; L442-Y450 HydrophobicContact CB-CG 4.5Å; L442-Y450 HydrophobicContact CD1-CE2 3.94Å; L442-Y450 HydrophobicContact CG-CE2 4.18Å; L442-Y450 PolarHBondContact O-N 3.41Å; R448-Y450 VanDerWaalsContact C-N 3.3Å; R448-Y450 PolarHBondContact O-N 3.48Å; R448-Y450 VanDerWaalsContact O-N 3.11Å; Y450-T452 PolarHBondContact O-N 2.92Å; Y450-L453 HydrophobicContact CD1-CD1 4.45Å
451A74.2Confident77.3Confident51 Ų5176 Ų7642%0.42142%0.419SS..Hα-helixtrans-71.3-24174.700000112R448 F449 H790R448-A451 HydrophobicContact CB-CB 3.74Å; R448-A451 WeakPolarHBondContact O-CA 3.39Å; R448-A451 WeakPolarHBondContact O-CB 3.42Å; R448-A451 PolarHBondContact O-N 2.92Å; F449-A451 VanDerWaalsContact C-N 3.33Å; F449-A451 PolarHBondContact O-N 3.25Å; A451-H790 HydrophobicContact CB-CB 4.48Å
452T79.7Confident76.3Confident93 Ų9372.3 Ų72.357%0.57141%0.407SS*.Hα-helixtrans-88.7-20.6179.267.30000113.6D447 R448 F449 Y450D447-T452 VanDerWaalsContact O-CG2 3.3Å; D447-T452 WeakPolarHBondContact O-CG2 3.32Å; R448-T452 PolarHBondContact O-N 3.25Å; R448-T452 VanDerWaalsContact O-N 3.15Å; F449-T452 PolarHBondContact O-N 3.19Å; F449-T452 PolarHBondContact O-OG1 2.92Å; Y450-T452 PolarHBondContact O-N 2.92Å
453L84.4Confident75.3Confident60 Ų6077.2 Ų77.231%0.31443%0.429SS..SBendtrans-83.8131.2-178.4-73.4-178.2000112W397 F449 Y450W397-L453 HydrophobicContact CG-CB 4.42Å; F449-L453 HydrophobicContact CD1-CD1 3.72Å; F449-L453 HydrophobicContact CD1-CG 4.29Å; F449-L453 HydrophobicContact CE1-CD1 3.24Å; F449-L453 HydrophobicContact CE1-CD2 4.48Å; F449-L453 HydrophobicContact CE1-CG 4.01Å; F449-L453 HydrophobicContact CE2-CD1 4.48Å; F449-L453 HydrophobicContact CE2-CD2 4.38Å; F449-L453 HydrophobicContact CE2-CG 4.45Å; F449-L453 HydrophobicContact CZ-CD1 3.68Å; F449-L453 HydrophobicContact CZ-CD2 4.08Å; F449-L453 HydrophobicContact CZ-CG 4.09Å; F449-L453 PolarHBondContact O-N 3.04Å; F449-L453 VanDerWaalsContact O-N 3.13Å; Y450-L453 HydrophobicContact CD1-CD1 4.45Å
454P84.4Confident74.3Confident80 Ų8080.6 Ų80.652%0.51945%0.452SS..  trans-67.7136.7172.327.8-32.4000110.8W397 Q456W397-P454 PolarHBondContact NE1-O 3.48Å; P454-Q456 HydrophobicContact CB-CG 3.94Å
455W87.5Confident73.1Confident56 Ų5681.3 Ų81.321%0.21246%0.456CS..  trans-94.492.4165.1-172.3-97.3000107.8H391 Y394 H395 W397 Y400H391-W455 AromaticContact CD2-NE1 3.92Å; Y394-W455 WeakPolarHBondContact O-CZ2 3.09Å; Y394-W455 PolarHBondContact O-NE1 3.34Å; H395-W455 VanDerWaalsContact C-CD1 3.5Å; W397-W455 HydrophobicContact CB-CE3 4.36Å; W397-W455 AromaticContact CD1-CE3 3.88Å; W397-W455 AromaticContact CD2-CE3 3.51Å; W397-W455 HydrophobicContact CD2-CE3 3.51Å; W397-W455 AromaticContact CD2-CZ3 3.62Å; W397-W455 HydrophobicContact CD2-CZ3 3.62Å; W397-W455 AromaticContact CE2-CE3 3.6Å; W397-W455 AromaticContact CE2-CZ3 3.96Å; W397-W455 AromaticContact CE3-CE3 3.99Å; W397-W455 HydrophobicContact CE3-CE3 3.99Å; W397-W455 AromaticContact CE3-CZ3 3.57Å; W397-W455 HydrophobicContact CE3-CZ3 3.57Å; W397-W455 AromaticContact CG-CE3 3.69Å; W397-W455 HydrophobicContact CG-CE3 3.69Å; W397-W455 HydrophobicContact CG-CZ3 4.15Å; W397-W455 HydrophobicContact CH2-CZ3 4.16Å; W397-W455 HydrophobicContact CZ2-CE3 4.13Å; W397-W455 HydrophobicContact CZ2-CZ3 4.22Å; W397-W455 HydrophobicContact CZ3-CE3 4.46Å; W397-W455 AromaticContact CZ3-CZ3 3.84Å; W397-W455 HydrophobicContact CZ3-CZ3 3.84Å; W397-W455 AromaticContact NE1-CE3 3.81Å; Y400-W455 HydrophobicContact CD2-CH2 4.04Å; Y400-W455 HydrophobicContact CG-CH2 4.05Å; Y400-W455 HydrophobicContact CG-CZ3 4.36Å
456Q82.6Confident72.5Confident132 Ų13285.5 Ų85.562%0.61748%0.479SS*.  trans-132.6150.6-171.8-76.6177.8-1.200112.2Y387 P454 L458Y387-Q456 PolarHBondContact OH-O 2.79Å; P454-Q456 HydrophobicContact CB-CG 3.94Å; Q456-L458 PolarHBondContact O-N 3.44Å
457P77.2Confident72.1Confident86 Ų8683.6 Ų83.656%0.55846%0.463SS*.  trans-58.8128.1173.721.7-30.4000111.8Y387 T459Y387-P457 WeakPolarHBondContact OH-CA 3.36Å; P457-T459 PolarHBondContact O-N 2.92Å
458L72.8Confident71.1Confident90 Ų9083.4 Ų83.447%0.47146%0.461SS..  trans-59.4127166.2-70.7179.1000109.6Y387 Q456Y387-L458 HydrophobicContact CD1-CB 4.34Å; Y387-L458 HydrophobicContact CD1-CD1 3.53Å; Y387-L458 HydrophobicContact CD1-CG 3.96Å; Y387-L458 HydrophobicContact CD2-CD1 4.06Å; Y387-L458 HydrophobicContact CD2-CG 4.19Å; Y387-L458 HydrophobicContact CE1-CB 3.77Å; Y387-L458 HydrophobicContact CE1-CD1 3.8Å; Y387-L458 HydrophobicContact CE1-CG 3.69Å; Y387-L458 HydrophobicContact CE2-CD1 4.27Å; Y387-L458 HydrophobicContact CE2-CG 3.9Å; Y387-L458 HydrophobicContact CG-CD1 3.7Å; Y387-L458 HydrophobicContact CG-CG 4.23Å; Y387-L458 PolarHBondContact OH-N 2.83Å; Q456-L458 PolarHBondContact O-N 3.44Å
459T72.2Confident70.1Confident134 Ų13487.1 Ų87.182%0.82248%0.479SS*.SBendtrans-77.4-25.2179.650.10000113P457P457-T459 PolarHBondContact O-N 2.92Å
460V72.7Confident69.3Low116 Ų11685.9 Ų85.970%0.70348%0.477SS*.SBendtrans-122125.1178.8-177.40000108.2
461Q64.6Low68.6Low96 Ų9687 Ų8745%0.44949%0.494SS..PPolyproline II helixtrans-102.4139.8171.3-63.7-1620.300109.6
462S65.1Low68.2Low47 Ų4786.5 Ų86.533%0.32948%0.481SS..PPolyproline II helixtrans-63.5138171.5-54.60000110.1W381W381-S462 VanDerWaalsContact CD1-O 3.28Å
463E66Low67.8Low144 Ų14485.9 Ų85.967%0.67347%0.474SS*.PPolyproline II helixtrans-74.7153.7173.9-66.3-179.9-178.300110.8P465E463-P465 VanDerWaalsContact O-CD 3.28Å; E463-P465 WeakPolarHBondContact O-CD 3.42Å
464C63.3Low67.3Low71 Ų7186.4 Ų86.448%0.4849%0.487SS..PPolyproline II helixtrans-72.2120.7179.5-172.10000110.4W381W381-C464 HydrophobicContact CD2-CB 4.35Å; W381-C464 HydrophobicContact CZ2-CB 3.95Å; W381-C464 VanDerWaalsContact CZ2-SG 3.5Å; W381-C464 VanDerWaalsContact NE1-CA 3.31Å
465P56.6Low66.9Low17 Ų1790.3 Ų90.311%0.1149%0.491CS..PPolyproline II helixtrans-70.7142.3176.6-22.238000111.2E377 E378 W381 E463 T467E377-P465 HydrophobicContact CB-CG 4.3Å; E377-P465 HydrophobicContact CG-CG 3.93Å; E378-P465 HydrophobicContact CB-CG 4.41Å; E378-P465 HydrophobicContact CG-CB 3.82Å; E378-P465 HydrophobicContact CG-CG 3.87Å; W381-P465 HydrophobicContact CB-CG 4.35Å; E463-P465 VanDerWaalsContact O-CD 3.28Å; E463-P465 WeakPolarHBondContact O-CD 3.42Å; P465-T467 HydrophobicContact CB-CG2 4.44Å; P465-T467 PolarHBondContact O-N 3.1Å
466V56.6Low66.3Low105 Ų10590.1 Ų90.164%0.63649%0.494SS*.  trans-77.245.9-166-1600000113.3K469V466-K469 HydrophobicContact CG1-CB 4.42Å
467T57.1Low66.1Low58 Ų5888.4 Ų88.436%0.35650%0.495SS..Hα-helixtrans-90.4-6.7-164.257.70000117.6E378 P465 D470 A471E378-T467 HydrophobicContact CG-CG2 4.35Å; E378-T467 VanDerWaalsContact OE1-CB 3.29Å; E378-T467 WeakPolarHBondContact OE1-CB 3.49Å; E378-T467 WeakPolarHBondContact OE1-CG2 3.4Å; E378-T467 PolarHBondContact OE1-OG1 3.4Å; P465-T467 HydrophobicContact CB-CG2 4.44Å; P465-T467 PolarHBondContact O-N 3.1Å; T467-D470 PolarHBondContact O-N 3.29Å; T467-A471 WeakPolarHBondContact O-CB 3.35Å; T467-A471 PolarHBondContact O-N 3.3Å
468L47.7Very low66Low125 Ų12591 Ų9165%0.65450%0.503SS*.Hα-helixtrans-68-37.8169-108.3155.6000112.2
469K49.4Very low66.1Low126 Ų12688 Ų8855%0.54849%0.489SS..Hα-helixtrans-73.7-37.9176-154.8174.9-175.3177.20110.8V466 Y472 L473V466-K469 HydrophobicContact CG1-CB 4.42Å; K469-Y472 PolarHBondContact O-N 3.07Å; K469-L473 HydrophobicContact CG-CD1 4.09Å; K469-L473 HydrophobicContact CG-CG 4.5Å; K469-L473 WeakPolarHBondContact O-CB 3.4Å; K469-L473 WeakPolarHBondContact O-CG 3.31Å; K469-L473 PolarHBondContact O-N 3.02Å
470D60.5Low66.2Low80 Ų8085.7 Ų85.743%0.42847%0.469SS..Hα-helixtrans-68.3-34.1178.3-65-23.2000112.7T467 Y472 L473 A474T467-D470 PolarHBondContact O-N 3.29Å; D470-Y472 PolarHBondContact O-N 3.33Å; D470-L473 CarbonylContact O-C 3.56Å; D470-L473 PolarHBondContact O-N 2.93Å; D470-A474 WeakPolarHBondContact O-CA 3.39Å; D470-A474 WeakPolarHBondContact O-CB 3.08Å; D470-A474 PolarHBondContact O-N 3.05Å
471A65.2Low66.1Low60 Ų6082.9 Ų82.950%0.49645%0.453SS..Hα-helixtrans-64.1-39.5174.300000112.7T467 R475T467-A471 WeakPolarHBondContact O-CB 3.35Å; T467-A471 PolarHBondContact O-N 3.3Å; A471-R475 PolarHBondContact O-N 3.38Å
472Y67Low66.4Low40 Ų4086.4 Ų86.416%0.15747%0.469CS..Hα-helixtrans-68-47.2172174.7-101.2000111.2K469 D470 A474 R475 L476 L491 Y495K469-Y472 PolarHBondContact O-N 3.07Å; D470-Y472 PolarHBondContact O-N 3.33Å; Y472-A474 PolarHBondContact O-N 3.27Å; Y472-R475 PolarHBondContact O-N 3.15Å; Y472-L476 HydrophobicContact CE1-CD1 3.99Å; Y472-L476 HydrophobicContact CE2-CD1 4.38Å; Y472-L476 PolarHBondContact O-N 3.34Å; Y472-L491 HydrophobicContact CD2-CD2 4.48Å; Y472-L491 HydrophobicContact CD2-CG 4.18Å; Y472-L491 HydrophobicContact CE2-CD2 4.42Å; Y472-L491 HydrophobicContact CE2-CG 4.16Å; Y472-Y495 HydrophobicContact CD2-CD1 4.33Å; Y472-Y495 AromaticContact CD2-CD2 3.91Å; Y472-Y495 HydrophobicContact CD2-CD2 3.91Å; Y472-Y495 AromaticContact CD2-CG 3.74Å; Y472-Y495 HydrophobicContact CD2-CG 3.74Å; Y472-Y495 HydrophobicContact CE2-CD1 4.31Å; Y472-Y495 HydrophobicContact CE2-CG 4.08Å; Y472-Y495 AromaticContact CG-CD2 3.99Å; Y472-Y495 HydrophobicContact CG-CD2 3.99Å; Y472-Y495 HydrophobicContact CG-CE2 4.28Å; Y472-Y495 HydrophobicContact CG-CG 4.2Å
473L71.3Confident67.2Low81 Ų8189.5 Ų89.542%0.42449%0.487SS..Hα-helixtrans-65.1-33.5179.2-71.3172.1000112.9K469 D470 L476 P477K469-L473 HydrophobicContact CG-CD1 4.09Å; K469-L473 HydrophobicContact CG-CG 4.5Å; K469-L473 WeakPolarHBondContact O-CB 3.4Å; K469-L473 WeakPolarHBondContact O-CG 3.31Å; K469-L473 PolarHBondContact O-N 3.02Å; D470-L473 CarbonylContact O-C 3.56Å; D470-L473 PolarHBondContact O-N 2.93Å; L473-L476 HydrophobicContact CD2-CD2 4.35Å; L473-L476 WeakPolarHBondContact O-CB 3.41Å; L473-L476 PolarHBondContact O-N 3.26Å; L473-P477 WeakPolarHBondContact O-CD 3.06Å
474A73.7Confident67.8Low71 Ų7185.6 Ų85.659%0.58747%0.471SS*.Hα-helixtrans-72.9-29.2177.900000112.5D470 Y472 P477D470-A474 WeakPolarHBondContact O-CA 3.39Å; D470-A474 WeakPolarHBondContact O-CB 3.08Å; D470-A474 PolarHBondContact O-N 3.05Å; Y472-A474 PolarHBondContact O-N 3.27Å; A474-P477 WeakPolarHBondContact O-CD 3.37Å
475R75.5Confident68.5Low162 Ų16286.1 Ų86.161%0.61147%0.473SS*.Hα-helixtrans-85.1-21.4173.7-75.1-168.5170.1-176.6-0.1113.4A471 Y472 P477 L478 C479 L491A471-R475 PolarHBondContact O-N 3.38Å; Y472-R475 PolarHBondContact O-N 3.15Å; R475-P477 VanDerWaalsContact C-CD 3.5Å; R475-L478 WeakPolarHBondContact O-CB 3.44Å; R475-L478 PolarHBondContact O-N 3.14Å; R475-C479 PolarHBondContact O-N 3.02Å; R475-L491 HydrophobicContact CB-CD1 3.8Å; R475-L491 HydrophobicContact CB-CD2 3.74Å; R475-L491 HydrophobicContact CB-CG 4.45Å; R475-L491 HydrophobicContact CG-CD1 4.48Å
476L75.9Confident69.6Low51 Ų5193.2 Ų93.227%0.26751%0.505SS..G310 helixtrans-54.4-41.4-179.1-15671.1000113.7Y472 L473 L478 C479 F488 L491Y472-L476 HydrophobicContact CE1-CD1 3.99Å; Y472-L476 HydrophobicContact CE2-CD1 4.38Å; Y472-L476 PolarHBondContact O-N 3.34Å; L473-L476 HydrophobicContact CD2-CD2 4.35Å; L473-L476 WeakPolarHBondContact O-CB 3.41Å; L473-L476 PolarHBondContact O-N 3.26Å; L476-L478 VanDerWaalsContact C-N 3.33Å; L476-L478 PolarHBondContact O-N 3.01Å; L476-C479 CarbonylContact O-C 3.44Å; L476-C479 PolarHBondContact O-N 3.21Å; L476-F488 HydrophobicContact CD1-CD2 4.21Å; L476-F488 HydrophobicContact CD1-CE2 3.67Å; L476-L491 HydrophobicContact CD1-CD2 4.48Å
477P77.1Confident70.7Confident97 Ų9789 Ų8963%0.6348%0.483SS*.G310 helixtrans-67.2-28.9176.7-21.933.1000114.2L473 A474 R475 C479L473-P477 WeakPolarHBondContact O-CD 3.06Å; A474-P477 WeakPolarHBondContact O-CD 3.37Å; R475-P477 VanDerWaalsContact C-CD 3.5Å; P477-C479 VanDerWaalsContact C-N 3.3Å
478L76.7Confident72Confident139 Ų13988.3 Ų88.373%0.72848%0.475SS*.G310 helixtrans-73-26.9-180-65.7170000111.9R475 L476R475-L478 WeakPolarHBondContact O-CB 3.44Å; R475-L478 PolarHBondContact O-N 3.14Å; L476-L478 VanDerWaalsContact C-N 3.33Å; L476-L478 PolarHBondContact O-N 3.01Å
479C74.7Confident73.7Confident27 Ų2788.6 Ų88.618%0.18247%0.471CS..G310 helixtrans-122.958.8-175.4-60.90000109.8R475 L476 P477 F488 L491R475-C479 PolarHBondContact O-N 3.02Å; L476-C479 CarbonylContact O-C 3.44Å; L476-C479 PolarHBondContact O-N 3.21Å; P477-C479 VanDerWaalsContact C-N 3.3Å; C479-F488 WeakPolarHBondContact O-CB 3.34Å; C479-F488 VanDerWaalsContact O-CD2 3.3Å; C479-F488 WeakPolarHBondContact O-CD2 3.48Å; C479-L491 HydrophobicContact CB-CD2 4.39Å
480H73.6Confident75.2Confident87 Ų8785.3 Ų85.340%0.40347%0.467SS..  trans-70.4137.3-176.9-168.7-93.7000111.1E482 T483 D484H480-E482 IonicContact CE1-OE2 3.93Å; H480-E482 PolarHBondContact ND1-N 2.95Å; H480-E482 PolarHBondContact O-N 3.03Å; H480-T483 WeakPolarHBondContact CB-OG1 3.3Å; H480-T483 PolarHBondContact O-N 3.13Å; H480-T483 PolarHBondContact O-OG1 3.42Å; H480-D484 CarbonylContact O-C 3.56Å; H480-D484 PolarHBondContact O-N 3Å
481P69.8Low76.1Confident57 Ų5782.7 Ų82.737%0.3745%0.453SS..THydrogen-bonded Turntrans-54.8-29.7-174.4-24.930.5000115P485 F488P481-P485 WeakPolarHBondContact O-CG 3.45Å; P481-F488 HydrophobicContact CB-CD1 4.42Å; P481-F488 HydrophobicContact CB-CG 4.36Å; P481-F488 HydrophobicContact CG-CD1 4.17Å; P481-F488 HydrophobicContact CG-CD2 3.72Å; P481-F488 HydrophobicContact CG-CE1 4.19Å; P481-F488 HydrophobicContact CG-CE2 3.71Å; P481-F488 HydrophobicContact CG-CG 3.94Å; P481-F488 HydrophobicContact CG-CZ 3.96Å
482E72.5Confident77Confident169 Ų16985.5 Ų85.579%0.7945%0.451SS*.THydrogen-bonded Turntrans-83.9-29.3-178.6-61.8-175.7166.400113.6H480H480-E482 IonicContact CE1-OE2 3.93Å; H480-E482 PolarHBondContact ND1-N 2.95Å; H480-E482 PolarHBondContact O-N 3.03Å
483T80.1Confident77.7Confident112 Ų11288.7 Ų88.769%0.68747%0.467SS*.THydrogen-bonded Turntrans-100.1-34.5-175.753.40000112.7H480H480-T483 WeakPolarHBondContact CB-OG1 3.3Å; H480-T483 PolarHBondContact O-N 3.13Å; H480-T483 PolarHBondContact O-OG1 3.42Å
484D79.9Confident77.9Confident63 Ų6387.8 Ų87.834%0.33747%0.471SS..  trans-14078177.5-1746.9000111.3H480 Q486 G487 F488H480-D484 CarbonylContact O-C 3.56Å; H480-D484 PolarHBondContact O-N 3Å; D484-Q486 PolarHBondContact O-N 3.45Å; D484-Q486 PolarHBondContact OD1-N 3.14Å; D484-G487 VanDerWaalsContact CG-N 3.33Å; D484-G487 PolarHBondContact O-N 3.21Å; D484-G487 PolarHBondContact OD1-N 3.03Å; D484-G487 WeakPolarHBondContact OD2-CA 3.31Å; D484-F488 WeakPolarHBondContact O-CB 3.45Å; D484-F488 PolarHBondContact O-N 2.92Å
485P77.4Confident78.1Confident82 Ų8288 Ų8853%0.53246%0.457SS..Hα-helixtrans-60.3-30.2178.6-18.627.7000113.1P481 K489P481-P485 WeakPolarHBondContact O-CG 3.45Å; P485-K489 WeakPolarHBondContact O-CB 3.48Å; P485-K489 PolarHBondContact O-N 3.31Å; P485-K489 VanDerWaalsContact O-N 3.16Å
486Q80Confident78.2Confident166 Ų16684.8 Ų84.878%0.77645%0.449SS*.Hα-helixtrans-76.3-45.7-179.3-75.7-176.8-7.600111.2D484 F488 K489 A490D484-Q486 PolarHBondContact O-N 3.45Å; D484-Q486 PolarHBondContact OD1-N 3.14Å; Q486-F488 VanDerWaalsContact C-N 3.35Å; Q486-F488 PolarHBondContact O-N 2.92Å; Q486-K489 PolarHBondContact O-N 2.87Å; Q486-A490 PolarHBondContact O-N 3.49Å
487G79.7Confident78Confident17 Ų1786.1 Ų86.118%0.17545%0.454CS..Hα-helixtrans-61.1-41.2173.800000112.5D484 K489 A490 L491D484-G487 VanDerWaalsContact CG-N 3.33Å; D484-G487 PolarHBondContact O-N 3.21Å; D484-G487 PolarHBondContact OD1-N 3.03Å; D484-G487 WeakPolarHBondContact OD2-CA 3.31Å; G487-K489 PolarHBondContact O-N 3.43Å; G487-A490 PolarHBondContact O-N 2.78Å; G487-L491 WeakPolarHBondContact O-CB 3.38Å; G487-L491 PolarHBondContact O-N 2.84Å
488F83.1Confident77.6Confident43 Ų4384.1 Ų84.119%0.18945%0.446CS..Hα-helixtrans-60.9-46.1175.1-177.4-100.8000111.9L476 C479 P481 D484 Q486 A490 L491 R492L476-F488 HydrophobicContact CD1-CD2 4.21Å; L476-F488 HydrophobicContact CD1-CE2 3.67Å; C479-F488 WeakPolarHBondContact O-CB 3.34Å; C479-F488 VanDerWaalsContact O-CD2 3.3Å; C479-F488 WeakPolarHBondContact O-CD2 3.48Å; P481-F488 HydrophobicContact CB-CD1 4.42Å; P481-F488 HydrophobicContact CB-CG 4.36Å; P481-F488 HydrophobicContact CG-CD1 4.17Å; P481-F488 HydrophobicContact CG-CD2 3.72Å; P481-F488 HydrophobicContact CG-CE1 4.19Å; P481-F488 HydrophobicContact CG-CE2 3.71Å; P481-F488 HydrophobicContact CG-CG 3.94Å; P481-F488 HydrophobicContact CG-CZ 3.96Å; D484-F488 WeakPolarHBondContact O-CB 3.45Å; D484-F488 PolarHBondContact O-N 2.92Å; Q486-F488 VanDerWaalsContact C-N 3.35Å; Q486-F488 PolarHBondContact O-N 2.92Å; F488-A490 PolarHBondContact O-N 2.82Å; F488-L491 PolarHBondContact O-N 3.19Å; F488-R492 WeakPolarHBondContact O-CB 3.4Å; F488-R492 PolarHBondContact O-N 3.38Å
489K83.8Confident77Confident131 Ų13180.3 Ų80.357%0.5743%0.426SS*.Hα-helixtrans-62-42.8178.4-174.4177.4-179.7-1770111.6P485 Q486 G487 R492 Q493P485-K489 WeakPolarHBondContact O-CB 3.48Å; P485-K489 PolarHBondContact O-N 3.31Å; P485-K489 VanDerWaalsContact O-N 3.16Å; Q486-K489 PolarHBondContact O-N 2.87Å; G487-K489 PolarHBondContact O-N 3.43Å; K489-R492 PolarHBondContact O-N 3.01Å; K489-Q493 WeakPolarHBondContact O-CB 3.42Å; K489-Q493 VanDerWaalsContact O-CG 3.3Å; K489-Q493 WeakPolarHBondContact O-CG 3.12Å; K489-Q493 PolarHBondContact O-N 3.21Å
490A82.1Confident76.5Confident57 Ų5786 Ų8647%0.47144%0.444SS..Hα-helixtrans-65.9-44178.200000112.3Q486 G487 F488 R492 Q493 A494Q486-A490 PolarHBondContact O-N 3.49Å; G487-A490 PolarHBondContact O-N 2.78Å; F488-A490 PolarHBondContact O-N 2.82Å; A490-R492 VanDerWaalsContact C-N 3.33Å; A490-R492 PolarHBondContact O-N 3.36Å; A490-Q493 PolarHBondContact O-N 3.39Å; A490-A494 WeakPolarHBondContact O-CB 3.45Å; A490-A494 PolarHBondContact O-N 3.03Å
491L79.4Confident75.8Confident25 Ų2587.7 Ų87.713%0.13146%0.455CS..Hα-helixtrans-60.7-43.4176.2-178.665.6000111.5Y472 R475 L476 C479 G487 F488 A494 Y495Y472-L491 HydrophobicContact CD2-CD2 4.48Å; Y472-L491 HydrophobicContact CD2-CG 4.18Å; Y472-L491 HydrophobicContact CE2-CD2 4.42Å; Y472-L491 HydrophobicContact CE2-CG 4.16Å; R475-L491 HydrophobicContact CB-CD1 3.8Å; R475-L491 HydrophobicContact CB-CD2 3.74Å; R475-L491 HydrophobicContact CB-CG 4.45Å; R475-L491 HydrophobicContact CG-CD1 4.48Å; L476-L491 HydrophobicContact CD1-CD2 4.48Å; C479-L491 HydrophobicContact CB-CD2 4.39Å; G487-L491 WeakPolarHBondContact O-CB 3.38Å; G487-L491 PolarHBondContact O-N 2.84Å; F488-L491 PolarHBondContact O-N 3.19Å; L491-A494 PolarHBondContact O-N 3.37Å; L491-Y495 PolarHBondContact O-N 3.16Å; L491-Y495 VanDerWaalsContact O-N 3.08Å
492R82.6Confident75Confident119 Ų11988.9 Ų88.945%0.44947%0.469SS..Hα-helixtrans-67.4-42.9178-174.6162.5-177.6153.23.4112.6F488 K489 A490 A494 Y495 E496F488-R492 WeakPolarHBondContact O-CB 3.4Å; F488-R492 PolarHBondContact O-N 3.38Å; K489-R492 PolarHBondContact O-N 3.01Å; A490-R492 VanDerWaalsContact C-N 3.33Å; A490-R492 PolarHBondContact O-N 3.36Å; R492-A494 VanDerWaalsContact C-N 3.34Å; R492-A494 PolarHBondContact O-N 2.83Å; R492-Y495 PolarHBondContact O-N 2.88Å; R492-E496 HydrophobicContact CG-CG 4.38Å; R492-E496 WeakPolarHBondContact CG-OE1 3.21Å; R492-E496 IonicContact CZ-OE1 3.27Å; R492-E496 IonicContact NE-OE1 3.74Å; R492-E496 PolarHBondContact NE-OE1 3.18Å; R492-E496 IonicContact NH2-OE1 3.45Å; R492-E496 WeakPolarHBondContact O-CB 3.28Å; R492-E496 WeakPolarHBondContact O-CG 3.36Å; R492-E496 PolarHBondContact O-N 3.31Å
493Q82.3Confident74Confident106 Ų10683.9 Ų83.950%0.49545%0.45SS..Hα-helixtrans-62.4-40174.8-78.2-179.1-31.600112.1K489 A490 Y495 E496 E497K489-Q493 WeakPolarHBondContact O-CB 3.42Å; K489-Q493 VanDerWaalsContact O-CG 3.3Å; K489-Q493 WeakPolarHBondContact O-CG 3.12Å; K489-Q493 PolarHBondContact O-N 3.21Å; A490-Q493 PolarHBondContact O-N 3.39Å; Q493-Y495 VanDerWaalsContact C-N 3.34Å; Q493-E496 PolarHBondContact O-N 3.28Å; Q493-E497 VanDerWaalsContact O-CB 3.22Å; Q493-E497 WeakPolarHBondContact O-CB 2.95Å; Q493-E497 PolarHBondContact O-N 3.39Å
494A75.8Confident72.1Confident62 Ų6283.1 Ų83.151%0.51244%0.442SS..Hα-helixtrans-64.3-39.3175.800000112.2A490 L491 R492 A498A490-A494 WeakPolarHBondContact O-CB 3.45Å; A490-A494 PolarHBondContact O-N 3.03Å; L491-A494 PolarHBondContact O-N 3.37Å; R492-A494 VanDerWaalsContact C-N 3.34Å; R492-A494 PolarHBondContact O-N 2.83Å; A494-A498 VanDerWaalsContact O-CB 3.3Å; A494-A498 WeakPolarHBondContact O-CB 3.2Å; A494-A498 PolarHBondContact O-N 2.86Å
495Y77.3Confident70.1Confident77 Ų7785.6 Ų85.630%0.30246%0.461SS..Hα-helixtrans-66.6-43.9174.6-178.6-105.2000112.1Y472 L491 R492 Q493 A498 L499Y472-Y495 HydrophobicContact CD2-CD1 4.33Å; Y472-Y495 AromaticContact CD2-CD2 3.91Å; Y472-Y495 HydrophobicContact CD2-CD2 3.91Å; Y472-Y495 AromaticContact CD2-CG 3.74Å; Y472-Y495 HydrophobicContact CD2-CG 3.74Å; Y472-Y495 HydrophobicContact CE2-CD1 4.31Å; Y472-Y495 HydrophobicContact CE2-CG 4.08Å; Y472-Y495 AromaticContact CG-CD2 3.99Å; Y472-Y495 HydrophobicContact CG-CD2 3.99Å; Y472-Y495 HydrophobicContact CG-CE2 4.28Å; Y472-Y495 HydrophobicContact CG-CG 4.2Å; L491-Y495 PolarHBondContact O-N 3.16Å; L491-Y495 VanDerWaalsContact O-N 3.08Å; R492-Y495 PolarHBondContact O-N 2.88Å; Q493-Y495 VanDerWaalsContact C-N 3.34Å; Y495-A498 PolarHBondContact O-N 3.49Å; Y495-L499 HydrophobicContact CD1-CD1 3.87Å; Y495-L499 HydrophobicContact CE1-CD1 3.51Å; Y495-L499 HydrophobicContact CE1-CG 4.45Å; Y495-L499 WeakPolarHBondContact O-CG 3.41Å; Y495-L499 PolarHBondContact O-N 3.14Å
496E78.4Confident68.1Low94 Ų9487.3 Ų87.344%0.43947%0.47SS..Hα-helixtrans-67-37.7176.3-73170.5-17600112.2R492 Q493 L499 R500R492-E496 HydrophobicContact CG-CG 4.38Å; R492-E496 WeakPolarHBondContact CG-OE1 3.21Å; R492-E496 IonicContact CZ-OE1 3.27Å; R492-E496 IonicContact NE-OE1 3.74Å; R492-E496 PolarHBondContact NE-OE1 3.18Å; R492-E496 IonicContact NH2-OE1 3.45Å; R492-E496 WeakPolarHBondContact O-CB 3.28Å; R492-E496 WeakPolarHBondContact O-CG 3.36Å; R492-E496 PolarHBondContact O-N 3.31Å; Q493-E496 PolarHBondContact O-N 3.28Å; E496-L499 WeakPolarHBondContact O-CB 3.28Å; E496-L499 PolarHBondContact O-N 2.94Å; E496-R500 WeakPolarHBondContact O-CB 3.29Å; E496-R500 PolarHBondContact O-N 3.1Å
497E71.4Confident65.6Low79 Ų7987.8 Ų87.837%0.36947%0.472SS..Hα-helixtrans-70.5-39.5176-170.969.4-173.900111.5Q493 L499 R500 L501Q493-E497 VanDerWaalsContact O-CB 3.22Å; Q493-E497 WeakPolarHBondContact O-CB 2.95Å; Q493-E497 PolarHBondContact O-N 3.39Å; E497-L499 VanDerWaalsContact C-N 3.3Å; E497-L499 PolarHBondContact O-N 3.46Å; E497-R500 PolarHBondContact O-N 3.12Å; E497-R500 VanDerWaalsContact O-N 3.15Å; E497-R500 IonicContact OE1-CZ 3.88Å; E497-R500 IonicContact OE1-NE 3.89Å; E497-R500 IonicContact OE1-NH2 3.81Å; E497-R500 PolarHBondContact OE1-NH2 3.2Å; E497-R500 IonicContact OE2-CZ 3.61Å; E497-R500 IonicContact OE2-NE 3.08Å; E497-R500 PolarHBondContact OE2-NE 3.44Å; E497-R500 IonicContact OE2-NH2 3.59Å; E497-L501 HydrophobicContact CG-CD1 4.26Å; E497-L501 WeakPolarHBondContact O-CB 3.41Å; E497-L501 WeakPolarHBondContact O-CG 3.06Å; E497-L501 PolarHBondContact O-N 3.19Å
498A68.6Low63.2Low55 Ų5593.3 Ų93.346%0.45549%0.494SS..Hα-helixtrans-61.4-40.1171.900000111.3A494 Y495 A502A494-A498 VanDerWaalsContact O-CB 3.3Å; A494-A498 WeakPolarHBondContact O-CB 3.2Å; A494-A498 PolarHBondContact O-N 2.86Å; Y495-A498 PolarHBondContact O-N 3.49Å; A498-A502 VanDerWaalsContact O-CB 3.31Å; A498-A502 WeakPolarHBondContact O-CB 3.13Å; A498-A502 PolarHBondContact O-N 3.07Å; A498-A502 VanDerWaalsContact O-N 3.1Å
499L64.8Low60.7Low58 Ų5895.5 Ų95.530%0.30452%0.52SS..Hα-helixtrans-64.6-40.6171.3-74.9169.2000112Q214 Y495 E496 E497 A502 V503Q214-L499 HydrophobicContact CG-CD2 4.34Å; Y495-L499 HydrophobicContact CD1-CD1 3.87Å; Y495-L499 HydrophobicContact CE1-CD1 3.51Å; Y495-L499 HydrophobicContact CE1-CG 4.45Å; Y495-L499 WeakPolarHBondContact O-CG 3.41Å; Y495-L499 PolarHBondContact O-N 3.14Å; E496-L499 WeakPolarHBondContact O-CB 3.28Å; E496-L499 PolarHBondContact O-N 2.94Å; E497-L499 VanDerWaalsContact C-N 3.3Å; E497-L499 PolarHBondContact O-N 3.46Å; L499-A502 PolarHBondContact O-N 3.47Å; L499-V503 WeakPolarHBondContact O-CB 3.48Å; L499-V503 WeakPolarHBondContact O-CG2 3.22Å; L499-V503 PolarHBondContact O-N 3.28Å; L499-V503 VanDerWaalsContact O-N 3.17Å
500R64.6Low57.9Low148 Ų14897 Ų9756%0.55853%0.534SS*.Hα-helixtrans-65.8-46.6179.6-164.4-168.272.7158.7-1.4111.7E496 E497 A502 V503 N504E496-R500 WeakPolarHBondContact O-CB 3.29Å; E496-R500 PolarHBondContact O-N 3.1Å; E497-R500 PolarHBondContact O-N 3.12Å; E497-R500 VanDerWaalsContact O-N 3.15Å; E497-R500 IonicContact OE1-CZ 3.88Å; E497-R500 IonicContact OE1-NE 3.89Å; E497-R500 IonicContact OE1-NH2 3.81Å; E497-R500 PolarHBondContact OE1-NH2 3.2Å; E497-R500 IonicContact OE2-CZ 3.61Å; E497-R500 IonicContact OE2-NE 3.08Å; E497-R500 PolarHBondContact OE2-NE 3.44Å; E497-R500 IonicContact OE2-NH2 3.59Å; R500-A502 PolarHBondContact O-N 2.95Å; R500-V503 PolarHBondContact O-N 3.49Å; R500-N504 PolarHBondContact O-N 3.34Å; R500-N504 VanDerWaalsContact O-N 3.09Å
501L58.7Low55.3Low121 Ų121101.2 Ų101.263%0.63455%0.549SS*.Hα-helixtrans-63.9-29.9176.4-70.6170000112.3E497 V503E497-L501 HydrophobicContact CG-CD1 4.26Å; E497-L501 WeakPolarHBondContact O-CB 3.41Å; E497-L501 WeakPolarHBondContact O-CG 3.06Å; E497-L501 PolarHBondContact O-N 3.19Å; L501-V503 VanDerWaalsContact C-N 3.32Å
502A52.7Low52.9Low82 Ų82108.9 Ų108.968%0.67858%0.584SS**Hα-helixtrans-77.3-14.5173.600000113.8A498 L499 R500A498-A502 VanDerWaalsContact O-CB 3.31Å; A498-A502 WeakPolarHBondContact O-CB 3.13Å; A498-A502 PolarHBondContact O-N 3.07Å; A498-A502 VanDerWaalsContact O-N 3.1Å; L499-A502 PolarHBondContact O-N 3.47Å; R500-A502 PolarHBondContact O-N 2.95Å
503V50.9Low50.5Low64 Ų64112.6 Ų112.639%0.38861%0.606SS.*Hα-helixtrans-105-38.3-173.5170.10000113.3L499 R500 L501L499-V503 WeakPolarHBondContact O-CB 3.48Å; L499-V503 WeakPolarHBondContact O-CG2 3.22Å; L499-V503 PolarHBondContact O-N 3.28Å; L499-V503 VanDerWaalsContact O-N 3.17Å; R500-V503 PolarHBondContact O-N 3.49Å; L501-V503 VanDerWaalsContact C-N 3.32Å
504N40.8Very low48Very low96 Ų96116.5 Ų116.551%0.51362%0.621SS.*  trans-144.8106.9-173.5-90.9-5.2000113.2R500R500-N504 PolarHBondContact O-N 3.34Å; R500-N504 VanDerWaalsContact O-N 3.09Å
505P37.3Very low46.1Very low115 Ų115120.5 Ų120.575%0.74763%0.634SS**SBendtrans-86.6120.514427.7-15.1000109
506V35Very low44.1Very low118 Ų118122.4 Ų122.472%0.71567%0.666SS**  trans67.2106.4170.9-165.10000115.6E508V506-E508 HydrophobicContact CG1-CG 4.21Å; V506-E508 PolarHBondContact O-N 3.38Å
507E28.9Very low42.5Very low176 Ų176121.4 Ų121.482%0.82267%0.673SS**  trans-71.6112.5162.6-67.6177.2158.500107.8
508E28.4Very low41.7Very low134 Ų134122.3 Ų122.363%0.62670%0.695SS**  trans-100.1132.9159-69.8-148.4139.200109.9V506 D510V506-E508 HydrophobicContact CG1-CG 4.21Å; V506-E508 PolarHBondContact O-N 3.38Å; E508-D510 PolarHBondContact O-N 2.96Å
509A30.3Very low41.8Very low89 Ų89123.3 Ų123.374%0.73669%0.69SS**  trans-76.1118.1-169.700000110.4D511A509-D511 VanDerWaalsContact C-N 3.27Å; A509-D511 PolarHBondContact O-N 2.92Å
510D25.5Very low42.6Very low163 Ų163123.5 Ų123.587%0.87269%0.689SS**  trans-63.487.9158.8-76.2-39.6000109.1E508E508-D510 PolarHBondContact O-N 2.96Å
511D27.4Very low43.6Very low145 Ų145122.2 Ų122.278%0.77569%0.69SS**  trans-149.575.6165.9-93.4-35.7000109.1A509A509-D511 VanDerWaalsContact C-N 3.27Å; A509-D511 PolarHBondContact O-N 2.92Å
512E30.4Very low45Very low185 Ų185116.5 Ų116.586%0.86466%0.659SS**  trans-157.764.2158.3-113.8173.8-131.500113.1
513E30.7Very low46.8Very low197 Ų197113.8 Ų113.892%0.92163%0.634SS**  trans-124.350160.9-145.6-176.8-150.100110.8
514K30.3Very low48.5Very low188 Ų188116 Ų11682%0.81764%0.635SS**  trans-151.493.1167.5-75.6-171.5-176.1153.20111.6
515D34.8Very low50.9Low147 Ų147112.7 Ų112.779%0.78662%0.621SS**  16984.3123-86.8-19.5000110.2A517D515-A517 HydrophobicContact CB-CB 4.34Å; D515-A517 PolarHBondContact O-N 3.23Å
516A37Very low53.6Low117 Ų117107.2 Ų107.297%0.96759%0.585SS**  trans-73.542158.300000111.2A518A516-A518 PolarHBondContact O-N 3.46Å
517A43.2Very low56.3Low72 Ų72106.5 Ų106.560%0.59557%0.57SS**SBendtrans-83.5109.9173.700000108.6D515 E519D515-A517 HydrophobicContact CB-CB 4.34Å; D515-A517 PolarHBondContact O-N 3.23Å; A517-E519 PolarHBondContact O-N 3.33Å; A517-E519 VanDerWaalsContact O-N 3.16Å
518A56Low59.2Low99 Ų99102.4 Ų102.482%0.81856%0.557SS**  trans30.471.1167.500000114.7A516 H520A516-A518 PolarHBondContact O-N 3.46Å; A518-H520 PolarHBondContact O-N 3.26Å
519E70.1Confident62.3Low76 Ų7696.9 Ų96.936%0.35553%0.531SS..  trans-41.8129.5176.7177.4-165.9-146.400111.2A517 L523 R524 R527A517-E519 PolarHBondContact O-N 3.33Å; A517-E519 VanDerWaalsContact O-N 3.16Å; E519-L523 HydrophobicContact CG-CB 4.19Å; E519-R524 PolarHBondContact O-NH2 2.81Å; E519-R524 IonicContact OE2-CZ 3.81Å; E519-R524 IonicContact OE2-NE 3.29Å; E519-R524 PolarHBondContact OE2-NE 2.95Å; E519-R524 IonicContact OE2-NH2 2.79Å; E519-R524 PolarHBondContact OE2-NH2 3.38Å; E519-R527 WeakPolarHBondContact OE1-CD 3.5Å; E519-R527 IonicContact OE1-NE 3.42Å; E519-R527 PolarHBondContact OE1-NE 3.45Å
520H80.8Confident65.1Low61 Ų6193.7 Ų93.728%0.28250%0.502SS..  trans-59.5138.4-176.1-167-81.9000111.1A518 I522 L523 R524 W552 L560A518-H520 PolarHBondContact O-N 3.26Å; H520-I522 PolarHBondContact ND1-N 3.11Å; H520-I522 PolarHBondContact O-N 3.31Å; H520-I522 VanDerWaalsContact O-N 3.16Å; H520-L523 HydrophobicContact CB-CB 4.49Å; H520-L523 HydrophobicContact CB-CD1 3.91Å; H520-L523 HydrophobicContact CB-CG 3.99Å; H520-L523 PolarHBondContact O-N 2.75Å; H520-R524 PolarHBondContact O-N 3.5Å; H520-R524 VanDerWaalsContact O-N 3.13Å; H520-W552 AromaticContact CE1-CE3 3.96Å; H520-W552 AromaticContact CE1-CH2 3.36Å; H520-W552 WeakPolarHBondContact CE1-CH2 3.38Å; H520-W552 AromaticContact CE1-CZ3 3.31Å; H520-W552 WeakPolarHBondContact CE1-CZ3 3.32Å; H520-W552 AromaticContact NE2-CH2 3.64Å; H520-W552 AromaticContact NE2-CZ3 3.3Å; H520-W552 VanDerWaalsContact NE2-CZ3 3.3Å; H520-W552 WeakPolarHBondContact NE2-CZ3 3.38Å; H520-L560 HydrophobicContact CB-CD2 4.12Å
521E85.8Confident68Low122 Ų12292 Ų9257%0.5749%0.493SS*.Hα-helixtrans-56.2-37.6-173.7-173.7178.6177.600112.9R524 A525E521-R524 PolarHBondContact O-N 2.9Å; E521-A525 WeakPolarHBondContact O-CB 3.35Å; E521-A525 PolarHBondContact O-N 3.14Å
522I88.5Confident70.9Confident0 Ų086.3 Ų86.30%047%0.465CS..Hα-helixtrans-65.9-39.6175.9-65.8-65.6000112.6H520 R524 A525 F526 F545 Q548 L549 W552 L560 L564H520-I522 PolarHBondContact ND1-N 3.11Å; H520-I522 PolarHBondContact O-N 3.31Å; H520-I522 VanDerWaalsContact O-N 3.16Å; I522-R524 VanDerWaalsContact C-N 3.32Å; I522-A525 PolarHBondContact O-N 3.37Å; I522-F526 WeakPolarHBondContact O-CB 3.41Å; I522-F526 PolarHBondContact O-N 3.31Å; I522-F545 HydrophobicContact CG2-CE2 4.18Å; I522-F545 HydrophobicContact CG2-CZ 3.78Å; I522-Q548 HydrophobicContact CD1-CG 4.29Å; I522-L549 HydrophobicContact CG2-CD1 3.92Å; I522-W552 HydrophobicContact CD1-CZ2 4.45Å; I522-W552 HydrophobicContact CG1-CD2 4.41Å; I522-W552 HydrophobicContact CG1-CZ2 4.01Å; I522-L560 HydrophobicContact CB-CD1 4.08Å; I522-L560 HydrophobicContact CG1-CD1 4.31Å; I522-L560 HydrophobicContact CG2-CD1 4.14Å; I522-L564 HydrophobicContact CG2-CD1 4.41Å; I522-L564 HydrophobicContact CG2-CD2 4.42Å
523L89.8Confident73.2Confident26 Ų2683.6 Ų83.614%0.13645%0.452CS..Hα-helixtrans-65.4-41.2177.8-60.7176.5000110.2E519 H520 F526 R527 L560 P563 L564 I567E519-L523 HydrophobicContact CG-CB 4.19Å; H520-L523 HydrophobicContact CB-CB 4.49Å; H520-L523 HydrophobicContact CB-CD1 3.91Å; H520-L523 HydrophobicContact CB-CG 3.99Å; H520-L523 PolarHBondContact O-N 2.75Å; L523-F526 PolarHBondContact O-N 3Å; L523-R527 PolarHBondContact O-N 3.14Å; L523-L560 HydrophobicContact CD1-CD2 4.27Å; L523-L560 HydrophobicContact CD2-CD2 4.01Å; L523-L560 HydrophobicContact CG-CD2 3.97Å; L523-P563 HydrophobicContact CD1-CB 4.13Å; L523-P563 HydrophobicContact CD2-CB 3.8Å; L523-L564 HydrophobicContact CD2-CD2 3.81Å; L523-L564 HydrophobicContact CD2-CG 3.92Å; L523-I567 HydrophobicContact CB-CD1 3.98Å; L523-I567 HydrophobicContact CD2-CD1 3.76Å; L523-I567 HydrophobicContact CG-CD1 4.34Å
524R88.3Confident75.5Confident111 Ų11177 Ų7742%0.41943%0.428SS..Hα-helixtrans-63.8-42.6173.6-168-179.6-57.1107.79.8112.5E519 H520 E521 I522 F526 R527 T528E519-R524 PolarHBondContact O-NH2 2.81Å; E519-R524 IonicContact OE2-CZ 3.81Å; E519-R524 IonicContact OE2-NE 3.29Å; E519-R524 PolarHBondContact OE2-NE 2.95Å; E519-R524 IonicContact OE2-NH2 2.79Å; E519-R524 PolarHBondContact OE2-NH2 3.38Å; H520-R524 PolarHBondContact O-N 3.5Å; H520-R524 VanDerWaalsContact O-N 3.13Å; E521-R524 PolarHBondContact O-N 2.9Å; I522-R524 VanDerWaalsContact C-N 3.32Å; R524-F526 VanDerWaalsContact C-N 3.27Å; R524-F526 PolarHBondContact O-N 3.24Å; R524-R527 PolarHBondContact O-N 2.94Å; R524-T528 WeakPolarHBondContact O-CB 3.4Å; R524-T528 PolarHBondContact O-N 3.36Å; R524-T528 PolarHBondContact O-OG1 3.31Å
525A90.7Very high78.3Confident26 Ų2671.3 Ų71.322%0.21541%0.406CS..Hα-helixtrans-62.8-36.7175.800000111.5E521 I522 T528 L529 F545E521-A525 WeakPolarHBondContact O-CB 3.35Å; E521-A525 PolarHBondContact O-N 3.14Å; I522-A525 PolarHBondContact O-N 3.37Å; A525-T528 PolarHBondContact O-N 3.37Å; A525-L529 PolarHBondContact O-N 2.86Å; A525-F545 HydrophobicContact CB-CE2 4.21Å
526F93.9Very high80.9Confident0 Ų064.7 Ų64.70%037%0.37CS..Hα-helixtrans-68.1-46.6175.8-170.5-127.3000112.2I522 L523 R524 T528 L529 L530 W542 F545 L564 I567 A568 L582I522-F526 WeakPolarHBondContact O-CB 3.41Å; I522-F526 PolarHBondContact O-N 3.31Å; L523-F526 PolarHBondContact O-N 3Å; R524-F526 VanDerWaalsContact C-N 3.27Å; R524-F526 PolarHBondContact O-N 3.24Å; F526-T528 VanDerWaalsContact C-N 3.28Å; F526-T528 PolarHBondContact O-N 3.28Å; F526-L529 HydrophobicContact CD2-CD2 4.36Å; F526-L529 WeakPolarHBondContact O-CB 3.41Å; F526-L529 PolarHBondContact O-N 3.47Å; F526-L529 VanDerWaalsContact O-N 3.09Å; F526-L530 HydrophobicContact CD1-CD1 4.07Å; F526-L530 HydrophobicContact CE1-CD1 3.76Å; F526-L530 HydrophobicContact CE2-CD1 4.48Å; F526-L530 HydrophobicContact CE2-CD2 4.43Å; F526-L530 HydrophobicContact CE2-CG 4.39Å; F526-L530 HydrophobicContact CZ-CD1 3.97Å; F526-L530 HydrophobicContact CZ-CD2 4.32Å; F526-L530 HydrophobicContact CZ-CG 4.32Å; F526-L530 WeakPolarHBondContact O-CG 3.29Å; F526-L530 PolarHBondContact O-N 3.22Å; F526-W542 HydrophobicContact CE2-CE3 4.44Å; F526-W542 AromaticContact CE2-CH2 3.55Å; F526-W542 HydrophobicContact CE2-CH2 3.55Å; F526-W542 HydrophobicContact CE2-CZ2 4.24Å; F526-W542 AromaticContact CE2-CZ3 3.69Å; F526-W542 HydrophobicContact CE2-CZ3 3.69Å; F526-W542 AromaticContact CZ-CH2 3.7Å; F526-W542 HydrophobicContact CZ-CH2 3.7Å; F526-W542 HydrophobicContact CZ-CZ3 4.01Å; F526-F545 HydrophobicContact CB-CE1 4.48Å; F526-F545 HydrophobicContact CB-CE2 3.86Å; F526-F545 HydrophobicContact CB-CZ 3.66Å; F526-F545 HydrophobicContact CD2-CD1 4.28Å; F526-F545 AromaticContact CD2-CE1 3.81Å; F526-F545 HydrophobicContact CD2-CE1 3.81Å; F526-F545 HydrophobicContact CD2-CE2 4.3Å; F526-F545 AromaticContact CD2-CZ 3.83Å; F526-F545 HydrophobicContact CD2-CZ 3.83Å; F526-F545 HydrophobicContact CE2-CE1 4.47Å; F526-F545 HydrophobicContact CG-CE1 4.39Å; F526-F545 HydrophobicContact CG-CZ 4.03Å; F526-L564 HydrophobicContact CB-CD2 3.73Å; F526-L564 HydrophobicContact CD1-CD2 3.54Å; F526-L564 HydrophobicContact CD2-CD2 4.42Å; F526-L564 HydrophobicContact CE1-CD2 4.25Å; F526-L564 HydrophobicContact CG-CD2 3.64Å; F526-I567 HydrophobicContact CD1-CB 3.98Å; F526-I567 HydrophobicContact CD1-CD1 4.49Å; F526-I567 HydrophobicContact CD1-CG2 3.56Å; F526-I567 HydrophobicContact CE1-CB 4.04Å; F526-I567 HydrophobicContact CE1-CG2 3.74Å; F526-A568 HydrophobicContact CE1-CB 4.21Å; F526-A568 HydrophobicContact CZ-CB 4.24Å; F526-L582 HydrophobicContact CE2-CD2 3.81Å; F526-L582 HydrophobicContact CZ-CD2 3.82Å
527R91.3Very high83.5Confident103 Ų10359.2 Ų59.239%0.38932%0.324SS..Hα-helixtrans-57.4-42.2172.3-69.2-174.7-175.9-86.3-0.1111.5E519 L523 R524 L529 L530 D531 I567 E570E519-R527 WeakPolarHBondContact OE1-CD 3.5Å; E519-R527 IonicContact OE1-NE 3.42Å; E519-R527 PolarHBondContact OE1-NE 3.45Å; L523-R527 PolarHBondContact O-N 3.14Å; R524-R527 PolarHBondContact O-N 2.94Å; R527-L529 VanDerWaalsContact C-N 3.33Å; R527-L529 PolarHBondContact O-N 3.22Å; R527-L530 PolarHBondContact O-N 2.98Å; R527-L530 VanDerWaalsContact O-N 3.16Å; R527-D531 WeakPolarHBondContact O-CB 3.44Å; R527-D531 VanDerWaalsContact O-CG 3.28Å; R527-D531 PolarHBondContact O-N 2.88Å; R527-I567 HydrophobicContact CG-CD1 4.4Å; R527-I567 HydrophobicContact CG-CG2 4.04Å; R527-E570 IonicContact NH2-OE2 2.77Å
528T90.9Very high85.8Confident89 Ų8958.5 Ų58.555%0.54631%0.309SS..Hα-helixtrans-62.6-37.2175.9-51.80000112.6R524 A525 F526 S532R524-T528 WeakPolarHBondContact O-CB 3.4Å; R524-T528 PolarHBondContact O-N 3.36Å; R524-T528 PolarHBondContact O-OG1 3.31Å; A525-T528 PolarHBondContact O-N 3.37Å; F526-T528 VanDerWaalsContact C-N 3.28Å; F526-T528 PolarHBondContact O-N 3.28Å; T528-S532 PolarHBondContact O-N 3.44Å; T528-S532 VanDerWaalsContact O-N 3.14Å
529L92.3Very high87.6Confident18 Ų1856.2 Ų56.29%0.09429%0.286CS..Hα-helixtrans-64.5-44.1174174.265.5000111.1A525 F526 R527 D531 S532 D535 R536 A541 W542 F545A525-L529 PolarHBondContact O-N 2.86Å; F526-L529 HydrophobicContact CD2-CD2 4.36Å; F526-L529 WeakPolarHBondContact O-CB 3.41Å; F526-L529 PolarHBondContact O-N 3.47Å; F526-L529 VanDerWaalsContact O-N 3.09Å; R527-L529 VanDerWaalsContact C-N 3.33Å; R527-L529 PolarHBondContact O-N 3.22Å; L529-D531 VanDerWaalsContact C-N 3.34Å; L529-S532 WeakPolarHBondContact O-CB 3.21Å; L529-S532 PolarHBondContact O-N 3.25Å; L529-D535 HydrophobicContact CD1-CB 3.62Å; L529-R536 WeakPolarHBondContact O-CB 3.2Å; L529-A541 HydrophobicContact CD1-CB 3.93Å; L529-W542 HydrophobicContact CD2-CD2 4.14Å; L529-W542 HydrophobicContact CD2-CG 4.19Å; L529-F545 HydrophobicContact CD2-CB 3.95Å; L529-F545 HydrophobicContact CD2-CG 4.17Å
530L89.8Confident88.7Confident22 Ų2255.3 Ų55.312%0.11529%0.287CS..Hα-helixtrans-67.3-33.8178.8-65.8173.7000112.5F526 R527 S532 R536 W542 I567 A571 L574F526-L530 HydrophobicContact CD1-CD1 4.07Å; F526-L530 HydrophobicContact CE1-CD1 3.76Å; F526-L530 HydrophobicContact CE2-CD1 4.48Å; F526-L530 HydrophobicContact CE2-CD2 4.43Å; F526-L530 HydrophobicContact CE2-CG 4.39Å; F526-L530 HydrophobicContact CZ-CD1 3.97Å; F526-L530 HydrophobicContact CZ-CD2 4.32Å; F526-L530 HydrophobicContact CZ-CG 4.32Å; F526-L530 WeakPolarHBondContact O-CG 3.29Å; F526-L530 PolarHBondContact O-N 3.22Å; R527-L530 PolarHBondContact O-N 2.98Å; R527-L530 VanDerWaalsContact O-N 3.16Å; L530-S532 VanDerWaalsContact C-N 3.31Å; L530-R536 WeakPolarHBondContact O-CD 3.43Å; L530-W542 HydrophobicContact CD2-CH2 4.12Å; L530-W542 HydrophobicContact CD2-CZ2 3.71Å; L530-I567 HydrophobicContact CD1-CG2 3.78Å; L530-A571 HydrophobicContact CD1-CB 3.96Å; L530-L574 HydrophobicContact CD2-CD1 3.88Å
531D86.8Confident89.3Confident129 Ų12952.7 Ų52.769%0.6928%0.277SS*.Hα-helixtrans-77.2-15.4175.6-69-27.3000113.3R527 L529 E533R527-D531 WeakPolarHBondContact O-CB 3.44Å; R527-D531 VanDerWaalsContact O-CG 3.28Å; R527-D531 PolarHBondContact O-N 2.88Å; L529-D531 VanDerWaalsContact C-N 3.34Å; D531-E533 PolarHBondContact O-N 2.9Å
532S87.2Confident89.7Confident25 Ų2546.9 Ų46.918%0.17525%0.25CC..  trans-64.8134.9-179.1179.10000111.5T528 L529 L530 S534 D535 R536T528-S532 PolarHBondContact O-N 3.44Å; T528-S532 VanDerWaalsContact O-N 3.14Å; L529-S532 WeakPolarHBondContact O-CB 3.21Å; L529-S532 PolarHBondContact O-N 3.25Å; L530-S532 VanDerWaalsContact C-N 3.31Å; S532-S534 PolarHBondContact O-N 3.39Å; S532-D535 WeakPolarHBondContact OG-CB 3.45Å; S532-D535 PolarHBondContact OG-N 2.64Å; S532-D535 PolarHBondContact OG-OD2 3.03Å; S532-R536 WeakPolarHBondContact O-CD 3.4Å; S532-R536 VanDerWaalsContact O-CG 3.27Å; S532-R536 WeakPolarHBondContact O-CG 3.43Å; S532-R536 PolarHBondContact O-NH1 3.34Å
533E78Confident90Very high127 Ų12751.5 Ų51.559%0.59327%0.271SS*.THydrogen-bonded Turntrans-63-29.9-177.3-48.6-163.9170.200113.2D531 R536 I625D531-E533 PolarHBondContact O-N 2.9Å; E533-R536 VanDerWaalsContact CA-NH1 3.28Å; E533-R536 PolarHBondContact O-NH1 3.41Å; E533-I625 HydrophobicContact CB-CD1 4.03Å; E533-I625 HydrophobicContact CB-CG1 4.04Å; E533-I625 VanDerWaalsContact CD-CD1 3.43Å; E533-I625 HydrophobicContact CG-CD1 3.39Å; E533-I625 HydrophobicContact CG-CG1 3.93Å; E533-I625 WeakPolarHBondContact OE1-CD1 3.36Å
534S80.9Confident90.1Very high60 Ų6056.5 Ų56.542%0.4229%0.292SS..THydrogen-bonded Turntrans-123.1-34.4-172.157.50000113.3S532 Q538S532-S534 PolarHBondContact O-N 3.39Å; S534-Q538 VanDerWaalsContact O-CG 3.25Å; S534-Q538 WeakPolarHBondContact O-CG 3.39Å
535D89Confident90.4Very high67 Ų6751.6 Ų51.636%0.35827%0.274SS..G310 helixtrans-75.2-29.1-173.1-63-54.5000112.7L529 S532 F537 Q538 A541L529-D535 HydrophobicContact CD1-CB 3.62Å; S532-D535 WeakPolarHBondContact OG-CB 3.45Å; S532-D535 PolarHBondContact OG-N 2.64Å; S532-D535 PolarHBondContact OG-OD2 3.03Å; D535-F537 PolarHBondContact O-N 3.09Å; D535-F537 VanDerWaalsContact O-N 3.08Å; D535-Q538 PolarHBondContact O-N 2.92Å; D535-A541 HydrophobicContact CB-CB 3.63Å; D535-A541 WeakPolarHBondContact O-CB 3.38Å
536R89.5Confident90.5Very high8 Ų851.3 Ų51.33%0.0327%0.268CS..G310 helixtrans-58.2-27.3-175.970.4177-173.7-89.6-1.5113.8L529 L530 S532 E533 W542 N629L529-R536 WeakPolarHBondContact O-CB 3.2Å; L530-R536 WeakPolarHBondContact O-CD 3.43Å; S532-R536 WeakPolarHBondContact O-CD 3.4Å; S532-R536 VanDerWaalsContact O-CG 3.27Å; S532-R536 WeakPolarHBondContact O-CG 3.43Å; S532-R536 PolarHBondContact O-NH1 3.34Å; E533-R536 VanDerWaalsContact CA-NH1 3.28Å; E533-R536 PolarHBondContact O-NH1 3.41Å; R536-W542 PolarHBondContact O-NE1 2.96Å; R536-N629 PolarHBondContact NH2-OD1 3.49Å; R536-N629 VanDerWaalsContact NH2-OD1 3.15Å
537F90.7Very high90.4Very high3 Ų357.3 Ų57.31%0.01330%0.296CS..G310 helixtrans-104.7-3179.1-56.1-33000113.9D535 P539 F617 L618 L621 V632D535-F537 PolarHBondContact O-N 3.09Å; D535-F537 VanDerWaalsContact O-N 3.08Å; F537-P539 WeakPolarHBondContact O-CD 3.37Å; F537-F617 HydrophobicContact CB-CB 3.93Å; F537-F617 HydrophobicContact CD1-CB 4.16Å; F537-F617 AromaticContact CD1-CD2 3.38Å; F537-F617 HydrophobicContact CD1-CD2 3.38Å; F537-F617 HydrophobicContact CD1-CE2 4.13Å; F537-F617 HydrophobicContact CD1-CG 4.23Å; F537-F617 HydrophobicContact CD2-CB 3.9Å; F537-F617 HydrophobicContact CD2-CD2 4.39Å; F537-F617 AromaticContact CE1-CD2 3.43Å; F537-F617 HydrophobicContact CE1-CD2 3.43Å; F537-F617 VanDerWaalsContact CE1-CD2 3.43Å; F537-F617 AromaticContact CE1-CE2 3.8Å; F537-F617 HydrophobicContact CE1-CE2 3.8Å; F537-F617 HydrophobicContact CE1-CG 4.37Å; F537-F617 HydrophobicContact CE2-CB 4.4Å; F537-F617 HydrophobicContact CE2-CD2 4.43Å; F537-F617 HydrophobicContact CG-CB 3.75Å; F537-F617 AromaticContact CG-CD2 3.88Å; F537-F617 HydrophobicContact CG-CD2 3.88Å; F537-F617 HydrophobicContact CG-CG 4.31Å; F537-F617 AromaticContact CZ-CD2 3.97Å; F537-F617 HydrophobicContact CZ-CD2 3.97Å; F537-F617 HydrophobicContact CZ-CE2 4.38Å; F537-L618 WeakPolarHBondContact O-CD2 3.36Å; F537-L621 HydrophobicContact CD2-CD2 4.47Å; F537-V632 HydrophobicContact CZ-CG2 4.49Å
538Q91.8Very high90.4Very high56 Ų5656.3 Ų56.326%0.26230%0.296SS..  trans-92.4115.4-176.5-76.7-75.5-16.600110.9S534 D535 S540 A541 W542 L618 L621S534-Q538 VanDerWaalsContact O-CG 3.25Å; S534-Q538 WeakPolarHBondContact O-CG 3.39Å; D535-Q538 PolarHBondContact O-N 2.92Å; Q538-S540 PolarHBondContact O-N 2.59Å; Q538-A541 HydrophobicContact CB-CB 4.16Å; Q538-A541 PolarHBondContact O-N 3.42Å; Q538-W542 PolarHBondContact O-N 3.07Å; Q538-L618 HydrophobicContact CG-CD2 4.25Å; Q538-L618 VanDerWaalsContact NE2-CD2 3.34Å; Q538-L621 HydrophobicContact CG-CD1 4.49Å
539P92.5Very high90.3Very high52 Ų5252 Ų5234%0.33827%0.27SS..Hα-helixtrans-56.5-32.1177.9-26.735.4000112.8F537 A541 W542 Q543 L581F537-P539 WeakPolarHBondContact O-CD 3.37Å; P539-A541 VanDerWaalsContact C-N 3.33Å; P539-A541 PolarHBondContact O-N 2.81Å; P539-W542 PolarHBondContact O-N 2.98Å; P539-Q543 VanDerWaalsContact O-CG 3.3Å; P539-Q543 WeakPolarHBondContact O-CG 3.37Å; P539-Q543 PolarHBondContact O-N 3.2Å; P539-L581 HydrophobicContact CB-CD1 4.17Å
540S93.8Very high90.2Very high56 Ų5655.1 Ų55.139%0.39229%0.286SS..Hα-helixtrans-66.2-31177.869.60000113.7Q538 K544Q538-S540 PolarHBondContact O-N 2.59Å; S540-K544 VanDerWaalsContact O-CG 3.32Å; S540-K544 WeakPolarHBondContact O-CG 3.25Å; S540-K544 PolarHBondContact O-N 3.45Å; S540-K544 VanDerWaalsContact O-N 3.13Å
541A93.2Very high90.1Very high7 Ų759.3 Ų59.36%0.05831%0.313CS..Hα-helixtrans-74.8-40.8176.400000111.3L529 D535 Q538 P539 Q543 K544 F545L529-A541 HydrophobicContact CD1-CB 3.93Å; D535-A541 HydrophobicContact CB-CB 3.63Å; D535-A541 WeakPolarHBondContact O-CB 3.38Å; Q538-A541 HydrophobicContact CB-CB 4.16Å; Q538-A541 PolarHBondContact O-N 3.42Å; P539-A541 VanDerWaalsContact C-N 3.33Å; P539-A541 PolarHBondContact O-N 2.81Å; A541-Q543 VanDerWaalsContact C-N 3.34Å; A541-Q543 PolarHBondContact O-N 3.12Å; A541-K544 WeakPolarHBondContact O-CB 3.2Å; A541-K544 PolarHBondContact O-N 3Å; A541-K544 VanDerWaalsContact O-N 3.14Å; A541-F545 PolarHBondContact O-N 3.14Å
542W94.7Very high90.1Very high0 Ų057 Ų570%030%0.295CS..Hα-helixtrans-61.6-40.9172.1-77.572.9000112.2F526 L529 L530 R536 Q538 P539 K544 F545 I546 L574 C578 L581 L582F526-W542 HydrophobicContact CE2-CE3 4.44Å; F526-W542 AromaticContact CE2-CH2 3.55Å; F526-W542 HydrophobicContact CE2-CH2 3.55Å; F526-W542 HydrophobicContact CE2-CZ2 4.24Å; F526-W542 AromaticContact CE2-CZ3 3.69Å; F526-W542 HydrophobicContact CE2-CZ3 3.69Å; F526-W542 AromaticContact CZ-CH2 3.7Å; F526-W542 HydrophobicContact CZ-CH2 3.7Å; F526-W542 HydrophobicContact CZ-CZ3 4.01Å; L529-W542 HydrophobicContact CD2-CD2 4.14Å; L529-W542 HydrophobicContact CD2-CG 4.19Å; L530-W542 HydrophobicContact CD2-CH2 4.12Å; L530-W542 HydrophobicContact CD2-CZ2 3.71Å; R536-W542 PolarHBondContact O-NE1 2.96Å; Q538-W542 PolarHBondContact O-N 3.07Å; P539-W542 PolarHBondContact O-N 2.98Å; W542-K544 VanDerWaalsContact C-N 3.34Å; W542-K544 PolarHBondContact O-N 2.95Å; W542-F545 WeakPolarHBondContact O-CB 3.35Å; W542-F545 PolarHBondContact O-N 2.82Å; W542-I546 WeakPolarHBondContact O-CG1 3.4Å; W542-I546 PolarHBondContact O-N 3.37Å; W542-L574 HydrophobicContact CH2-CD1 3.4Å; W542-L574 HydrophobicContact CZ2-CD1 3.45Å; W542-L574 VanDerWaalsContact CZ2-CD1 3.45Å; W542-C578 HydrophobicContact CB-CB 4.49Å; W542-C578 HydrophobicContact CD2-CB 3.59Å; W542-C578 HydrophobicContact CE3-CB 4.21Å; W542-C578 VanDerWaalsContact CE3-O 3.27Å; W542-C578 HydrophobicContact CG-CB 3.69Å; W542-C578 HydrophobicContact CZ2-CB 4.15Å; W542-L581 HydrophobicContact CB-CD1 4.32Å; W542-L582 HydrophobicContact CE3-CB 4.12Å; W542-L582 HydrophobicContact CZ3-CB 3.92Å; W542-L582 HydrophobicContact CZ3-CD2 3.92Å
543Q94.5Very high90.1Very high97 Ų9759.8 Ų59.845%0.45331%0.307SS..Hα-helixtrans-62.5-38172.6-74.4174.6-2.600112.7P539 A541 I546 Q547 L581P539-Q543 VanDerWaalsContact O-CG 3.3Å; P539-Q543 WeakPolarHBondContact O-CG 3.37Å; P539-Q543 PolarHBondContact O-N 3.2Å; A541-Q543 VanDerWaalsContact C-N 3.34Å; A541-Q543 PolarHBondContact O-N 3.12Å; Q543-I546 PolarHBondContact O-N 3.06Å; Q543-Q547 VanDerWaalsContact O-CG 3.27Å; Q543-Q547 WeakPolarHBondContact O-CG 3.31Å; Q543-Q547 PolarHBondContact O-N 3.47Å; Q543-L581 HydrophobicContact CG-CD1 4.23Å
544K93Very high90.3Very high130 Ų13061.9 Ų61.957%0.56532%0.319SS*.Hα-helixtrans-65.1-41.5173.4-71.7168.8-170.5167.10111.6S540 A541 W542 Q547 Q548S540-K544 VanDerWaalsContact O-CG 3.32Å; S540-K544 WeakPolarHBondContact O-CG 3.25Å; S540-K544 PolarHBondContact O-N 3.45Å; S540-K544 VanDerWaalsContact O-N 3.13Å; A541-K544 WeakPolarHBondContact O-CB 3.2Å; A541-K544 PolarHBondContact O-N 3Å; A541-K544 VanDerWaalsContact O-N 3.14Å; W542-K544 VanDerWaalsContact C-N 3.34Å; W542-K544 PolarHBondContact O-N 2.95Å; K544-Q547 WeakPolarHBondContact O-CB 3.34Å; K544-Q547 PolarHBondContact O-N 3.45Å; K544-Q548 PolarHBondContact O-N 3.43Å
545F94.3Very high90.3Very high9 Ų966.2 Ų66.24%0.03933%0.333CS..Hα-helixtrans-61.4-44.6174.1176.4-97.7000111.4I522 A525 F526 L529 A541 W542 Q547 Q548 L549 L564 L582I522-F545 HydrophobicContact CG2-CE2 4.18Å; I522-F545 HydrophobicContact CG2-CZ 3.78Å; A525-F545 HydrophobicContact CB-CE2 4.21Å; F526-F545 HydrophobicContact CB-CE1 4.48Å; F526-F545 HydrophobicContact CB-CE2 3.86Å; F526-F545 HydrophobicContact CB-CZ 3.66Å; F526-F545 HydrophobicContact CD2-CD1 4.28Å; F526-F545 AromaticContact CD2-CE1 3.81Å; F526-F545 HydrophobicContact CD2-CE1 3.81Å; F526-F545 HydrophobicContact CD2-CE2 4.3Å; F526-F545 AromaticContact CD2-CZ 3.83Å; F526-F545 HydrophobicContact CD2-CZ 3.83Å; F526-F545 HydrophobicContact CE2-CE1 4.47Å; F526-F545 HydrophobicContact CG-CE1 4.39Å; F526-F545 HydrophobicContact CG-CZ 4.03Å; L529-F545 HydrophobicContact CD2-CB 3.95Å; L529-F545 HydrophobicContact CD2-CG 4.17Å; A541-F545 PolarHBondContact O-N 3.14Å; W542-F545 WeakPolarHBondContact O-CB 3.35Å; W542-F545 PolarHBondContact O-N 2.82Å; F545-Q547 VanDerWaalsContact C-N 3.3Å; F545-Q547 PolarHBondContact O-N 2.87Å; F545-Q548 WeakPolarHBondContact O-CB 3.24Å; F545-Q548 PolarHBondContact O-N 3.45Å; F545-Q548 VanDerWaalsContact O-N 3.11Å; F545-L549 PolarHBondContact O-N 2.89Å; F545-L564 HydrophobicContact CE1-CD2 4.49Å; F545-L564 HydrophobicContact CZ-CD2 4.09Å; F545-L582 HydrophobicContact CD1-CD1 4.46Å; F545-L582 HydrophobicContact CE1-CD1 4.21Å
546I92.5Very high90.1Very high20 Ų2065.2 Ų65.210%0.10333%0.328CS..Hα-helixtrans-60.9-38.8174.2-69.9166.4000111.4W542 Q543 L549 N550 L581 L582 R585W542-I546 WeakPolarHBondContact O-CG1 3.4Å; W542-I546 PolarHBondContact O-N 3.37Å; Q543-I546 PolarHBondContact O-N 3.06Å; I546-L549 WeakPolarHBondContact O-CB 3.23Å; I546-L549 PolarHBondContact O-N 3.33Å; I546-N550 PolarHBondContact O-N 3.33Å; I546-N550 PolarHBondContact O-ND2 3.38Å; I546-L581 HydrophobicContact CD1-CB 3.87Å; I546-L582 HydrophobicContact CG1-CD1 4.04Å; I546-R585 HydrophobicContact CG2-CB 4.45Å; I546-R585 HydrophobicContact CG2-CG 3.89Å
547Q91.7Very high89.9Confident125 Ų12565.3 Ų65.358%0.58433%0.329SS*.Hα-helixtrans-64.2-39.1174-73.8169.714.500112.3Q543 K544 F545 N550Q543-Q547 VanDerWaalsContact O-CG 3.27Å; Q543-Q547 WeakPolarHBondContact O-CG 3.31Å; Q543-Q547 PolarHBondContact O-N 3.47Å; K544-Q547 WeakPolarHBondContact O-CB 3.34Å; K544-Q547 PolarHBondContact O-N 3.45Å; F545-Q547 VanDerWaalsContact C-N 3.3Å; F545-Q547 PolarHBondContact O-N 2.87Å; Q547-N550 PolarHBondContact O-N 3.16Å
548Q90.8Very high89.7Confident82 Ų8269 Ų6938%0.38335%0.349SS..Hα-helixtrans-64.2-44.6173-177.5-178.9-1.900111I522 K544 F545 N550 T551I522-Q548 HydrophobicContact CD1-CG 4.29Å; K544-Q548 PolarHBondContact O-N 3.43Å; F545-Q548 WeakPolarHBondContact O-CB 3.24Å; F545-Q548 PolarHBondContact O-N 3.45Å; F545-Q548 VanDerWaalsContact O-N 3.11Å; Q548-N550 VanDerWaalsContact C-N 3.27Å; Q548-N550 PolarHBondContact O-N 3.18Å; Q548-T551 WeakPolarHBondContact O-CB 3.3Å; Q548-T551 PolarHBondContact O-N 3.48Å; Q548-T551 PolarHBondContact O-OG1 3.42Å
549L90.1Very high89.4Confident0 Ų073.3 Ų73.30%037%0.369CS..Hα-helixtrans-58.8-38.4175.6-173.970000112I522 F545 I546 T551 W552 V557 L564 L582 L586I522-L549 HydrophobicContact CG2-CD1 3.92Å; F545-L549 PolarHBondContact O-N 2.89Å; I546-L549 WeakPolarHBondContact O-CB 3.23Å; I546-L549 PolarHBondContact O-N 3.33Å; L549-T551 PolarHBondContact O-N 3.39Å; L549-T551 VanDerWaalsContact O-N 3.12Å; L549-W552 PolarHBondContact O-N 3.28Å; L549-W552 VanDerWaalsContact O-N 3.15Å; L549-V557 HydrophobicContact CD1-CG1 4.42Å; L549-V557 HydrophobicContact CD1-CG2 4.07Å; L549-V557 HydrophobicContact CD2-CG1 4.29Å; L549-V557 HydrophobicContact CG-CG1 4.26Å; L549-V557 HydrophobicContact CG-CG2 4.16Å; L549-L564 HydrophobicContact CD1-CD1 4.46Å; L549-L582 HydrophobicContact CD2-CD1 4.36Å; L549-L586 HydrophobicContact CD2-CD2 3.97Å; L549-L586 HydrophobicContact CD2-CG 4.4Å
550N88.9Confident89.2Confident82 Ų8271.2 Ų71.244%0.43936%0.355SS..THydrogen-bonded Turntrans-65.7-10.5176.4-70.8-25.9000114.5I546 Q547 Q548 W552 R585I546-N550 PolarHBondContact O-N 3.33Å; I546-N550 PolarHBondContact O-ND2 3.38Å; Q547-N550 PolarHBondContact O-N 3.16Å; Q548-N550 VanDerWaalsContact C-N 3.27Å; Q548-N550 PolarHBondContact O-N 3.18Å; N550-W552 VanDerWaalsContact C-N 3.28Å; N550-R585 VanDerWaalsContact OD1-CZ 3.23Å; N550-R585 PolarHBondContact OD1-NE 3.39Å; N550-R585 PolarHBondContact OD1-NH2 2.9Å
551T88.6Confident88.9Confident110 Ų11070.4 Ų70.468%0.67534%0.343SS*.THydrogen-bonded Turntrans-79.6-12.7174.667.20000113.3Q548 L549Q548-T551 WeakPolarHBondContact O-CB 3.3Å; Q548-T551 PolarHBondContact O-N 3.48Å; Q548-T551 PolarHBondContact O-OG1 3.42Å; L549-T551 PolarHBondContact O-N 3.39Å; L549-T551 VanDerWaalsContact O-N 3.12Å
552W86.7Confident88.6Confident82 Ų8271.7 Ų71.731%0.31135%0.347SS..SBendtrans-89.6162.3-179.9-69.863.9000111.8H520 I522 L549 N550 D556 V557H520-W552 AromaticContact CE1-CE3 3.96Å; H520-W552 AromaticContact CE1-CH2 3.36Å; H520-W552 WeakPolarHBondContact CE1-CH2 3.38Å; H520-W552 AromaticContact CE1-CZ3 3.31Å; H520-W552 WeakPolarHBondContact CE1-CZ3 3.32Å; H520-W552 AromaticContact NE2-CH2 3.64Å; H520-W552 AromaticContact NE2-CZ3 3.3Å; H520-W552 VanDerWaalsContact NE2-CZ3 3.3Å; H520-W552 WeakPolarHBondContact NE2-CZ3 3.38Å; I522-W552 HydrophobicContact CD1-CZ2 4.45Å; I522-W552 HydrophobicContact CG1-CD2 4.41Å; I522-W552 HydrophobicContact CG1-CZ2 4.01Å; L549-W552 PolarHBondContact O-N 3.28Å; L549-W552 VanDerWaalsContact O-N 3.15Å; N550-W552 VanDerWaalsContact C-N 3.28Å; W552-D556 HydrophobicContact CE3-CB 4.03Å; W552-V557 HydrophobicContact CB-CG2 3.98Å
553N86.3Confident88.3Confident82 Ų8274.1 Ų74.144%0.43936%0.362SS..  trans-71.2160.5177.87742.9000110.5E555 D556 V557N553-E555 VanDerWaalsContact C-N 3.33Å; N553-E555 PolarHBondContact O-N 3.19Å; N553-E555 PolarHBondContact OD1-N 3.18Å; N553-D556 PolarHBondContact ND2-OD1 3.39Å; N553-D556 PolarHBondContact ND2-OD2 3.11Å; N553-D556 WeakPolarHBondContact OD1-CB 3.35Å; N553-D556 PolarHBondContact OD1-N 3.13Å; N553-D556 PolarHBondContact OD1-OD1 2.89Å; N553-D556 PolarHBondContact OD1-OD2 3.31Å; N553-V557 WeakPolarHBondContact O-CG2 3.49Å; N553-V557 PolarHBondContact O-N 3.01Å
554M82.1Confident88.2Confident172 Ų17269.5 Ų69.585%0.84734%0.341SS*.Hα-helixtrans-67.7-29.6-175.8-72.3-163.6-68.100113.8D558M554-D558 WeakPolarHBondContact O-CB 3.48Å; M554-D558 PolarHBondContact O-N 3.19Å; M554-D558 VanDerWaalsContact O-N 3.09Å
555E82.5Confident88.1Confident151 Ų15163.3 Ų63.371%0.70631%0.314SS*.Hα-helixtrans-71.5-42.5-179.4-68.1176.7-177.700111.4N553 V557 D558 Q559N553-E555 VanDerWaalsContact C-N 3.33Å; N553-E555 PolarHBondContact O-N 3.19Å; N553-E555 PolarHBondContact OD1-N 3.18Å; E555-V557 VanDerWaalsContact C-N 3.34Å; E555-V557 PolarHBondContact O-N 3.3Å; E555-D558 PolarHBondContact O-N 3.32Å; E555-Q559 WeakPolarHBondContact O-CG 3.34Å; E555-Q559 PolarHBondContact O-N 3.28Å; E555-Q559 VanDerWaalsContact O-N 3.1Å
556D84.7Confident87.8Confident46 Ų4664.4 Ų64.425%0.24632%0.324CS..Hα-helixtrans-64.1-40.5175.9-60.9-14.9000110.7W552 N553 D558 Q559 L560W552-D556 HydrophobicContact CE3-CB 4.03Å; N553-D556 PolarHBondContact ND2-OD1 3.39Å; N553-D556 PolarHBondContact ND2-OD2 3.11Å; N553-D556 WeakPolarHBondContact OD1-CB 3.35Å; N553-D556 PolarHBondContact OD1-N 3.13Å; N553-D556 PolarHBondContact OD1-OD1 2.89Å; N553-D556 PolarHBondContact OD1-OD2 3.31Å; D556-D558 VanDerWaalsContact C-N 3.33Å; D556-D558 PolarHBondContact O-N 3.42Å; D556-Q559 PolarHBondContact O-N 3.02Å; D556-L560 WeakPolarHBondContact O-CD1 3.48Å; D556-L560 VanDerWaalsContact O-CG 3.25Å; D556-L560 WeakPolarHBondContact O-CG 3.45Å; D556-L560 PolarHBondContact O-N 2.84Å
557V85.6Confident87.7Confident10 Ų1063.9 Ų63.96%0.06132%0.322CS..Hα-helixtrans-66.7-36.1177.5174.40000111.4L549 W552 N553 E555 L560 R561 L586L549-V557 HydrophobicContact CD1-CG1 4.42Å; L549-V557 HydrophobicContact CD1-CG2 4.07Å; L549-V557 HydrophobicContact CD2-CG1 4.29Å; L549-V557 HydrophobicContact CG-CG1 4.26Å; L549-V557 HydrophobicContact CG-CG2 4.16Å; W552-V557 HydrophobicContact CB-CG2 3.98Å; N553-V557 WeakPolarHBondContact O-CG2 3.49Å; N553-V557 PolarHBondContact O-N 3.01Å; E555-V557 VanDerWaalsContact C-N 3.34Å; E555-V557 PolarHBondContact O-N 3.3Å; V557-L560 PolarHBondContact O-N 2.92Å; V557-R561 PolarHBondContact O-N 3.12Å; V557-L586 HydrophobicContact CG1-CD2 3.68Å
558D84.9Confident87.7Confident80 Ų8058 Ų5843%0.42830%0.295SS..Hα-helixtrans-65.7-41.6176.5-158.861.2000111.4M554 E555 D556 L560 R561M554-D558 WeakPolarHBondContact O-CB 3.48Å; M554-D558 PolarHBondContact O-N 3.19Å; M554-D558 VanDerWaalsContact O-N 3.09Å; E555-D558 PolarHBondContact O-N 3.32Å; D556-D558 VanDerWaalsContact C-N 3.33Å; D556-D558 PolarHBondContact O-N 3.42Å; D558-L560 VanDerWaalsContact C-N 3.25Å; D558-L560 PolarHBondContact O-N 2.82Å; D558-R561 VanDerWaalsContact O-CB 3.24Å; D558-R561 WeakPolarHBondContact O-CB 3.34Å; D558-R561 PolarHBondContact O-N 3.07Å; D558-R561 IonicContact OD1-CZ 2.92Å; D558-R561 IonicContact OD1-NH1 3.76Å; D558-R561 PolarHBondContact OD1-NH1 2.88Å; D558-R561 IonicContact OD1-NH2 3.04Å; D558-R561 PolarHBondContact OD1-NH2 3.28Å
559Q85.9Confident87.6Confident146 Ų14655.6 Ų55.668%0.68228%0.284SS*.Hα-helixtrans-63.5-28.8173.9-69.9176.418.700113.3E555 D556 P563E555-Q559 WeakPolarHBondContact O-CG 3.34Å; E555-Q559 PolarHBondContact O-N 3.28Å; E555-Q559 VanDerWaalsContact O-N 3.1Å; D556-Q559 PolarHBondContact O-N 3.02Å; Q559-P563 WeakPolarHBondContact O-CD 3.48Å
560L88Confident87.4Confident8 Ų861.8 Ų61.84%0.04231%0.313CS..Hα-helixtrans-87.6-8.4178.8-65.6168000113.4H520 I522 L523 D556 V557 D558 W562 L564H520-L560 HydrophobicContact CB-CD2 4.12Å; I522-L560 HydrophobicContact CB-CD1 4.08Å; I522-L560 HydrophobicContact CG1-CD1 4.31Å; I522-L560 HydrophobicContact CG2-CD1 4.14Å; L523-L560 HydrophobicContact CD1-CD2 4.27Å; L523-L560 HydrophobicContact CD2-CD2 4.01Å; L523-L560 HydrophobicContact CG-CD2 3.97Å; D556-L560 WeakPolarHBondContact O-CD1 3.48Å; D556-L560 VanDerWaalsContact O-CG 3.25Å; D556-L560 WeakPolarHBondContact O-CG 3.45Å; D556-L560 PolarHBondContact O-N 2.84Å; V557-L560 PolarHBondContact O-N 2.92Å; D558-L560 VanDerWaalsContact C-N 3.25Å; D558-L560 PolarHBondContact O-N 2.82Å; L560-W562 PolarHBondContact O-N 3.22Å; L560-L564 HydrophobicContact CB-CD1 4.15Å; L560-L564 VanDerWaalsContact O-CB 3.32Å; L560-L564 WeakPolarHBondContact O-CB 3.33Å; L560-L564 WeakPolarHBondContact O-CD1 3.44Å; L560-L564 VanDerWaalsContact O-CG 3.26Å; L560-L564 WeakPolarHBondContact O-CG 3.47Å; L560-L564 PolarHBondContact O-N 3.37Å
561R87.7Confident87.3Confident40 Ų4059 Ų5915%0.15130%0.301CS..Hα-helixtrans-52.4-56.3-175.7174.7-175.7-73133.713.8111.9V557 D558 C565 L586 W588V557-R561 PolarHBondContact O-N 3.12Å; D558-R561 VanDerWaalsContact O-CB 3.24Å; D558-R561 WeakPolarHBondContact O-CB 3.34Å; D558-R561 PolarHBondContact O-N 3.07Å; D558-R561 IonicContact OD1-CZ 2.92Å; D558-R561 IonicContact OD1-NH1 3.76Å; D558-R561 PolarHBondContact OD1-NH1 2.88Å; D558-R561 IonicContact OD1-NH2 3.04Å; D558-R561 PolarHBondContact OD1-NH2 3.28Å; R561-C565 PolarHBondContact O-N 3.07Å; R561-L586 HydrophobicContact CG-CB 4.37Å; R561-L586 PolarHBondContact NE-O 2.88Å; R561-W588 PolarHBondContact O-NE1 3.22Å; R561-W588 VanDerWaalsContact O-NE1 3.12Å
562W87.5Confident86.9Confident34 Ų3462.5 Ų62.513%0.12930%0.302CS..Hα-helixtrans-80.5-38.6-174.1-56.5122.5000113.3L560 L564 C565 A566 D593 M597L560-W562 PolarHBondContact O-N 3.22Å; W562-L564 VanDerWaalsContact C-N 3.28Å; W562-L564 PolarHBondContact O-N 3.12Å; W562-C565 HydrophobicContact CE3-CB 4.23Å; W562-C565 CarbonylContact O-C 3.59Å; W562-C565 WeakPolarHBondContact O-CA 3.4Å; W562-C565 WeakPolarHBondContact O-CB 3.46Å; W562-C565 PolarHBondContact O-N 3.25Å; W562-A566 PolarHBondContact O-N 3.29Å; W562-D593 PolarHBondContact NE1-O 2.88Å; W562-M597 HydrophobicContact CE3-SD 4.36Å
563P89Confident86.8Confident50 Ų5061 Ų6133%0.32530%0.297SS..Hα-helixtrans-56.7-38.3169.5-29.636.6000113.7L523 Q559 I567L523-P563 HydrophobicContact CD1-CB 4.13Å; L523-P563 HydrophobicContact CD2-CB 3.8Å; Q559-P563 WeakPolarHBondContact O-CD 3.48Å; P563-I567 VanDerWaalsContact O-CG1 3.26Å; P563-I567 WeakPolarHBondContact O-CG1 3.27Å; P563-I567 PolarHBondContact O-N 3.12Å; P563-I567 VanDerWaalsContact O-N 3.08Å
564L92.1Very high86.9Confident0 Ų057.8 Ų57.80%028%0.279CS..Hα-helixtrans-68.7-35.9174.1-73.9169.5000112.4I522 L523 F526 F545 L549 L560 W562 A568 L586 W588I522-L564 HydrophobicContact CG2-CD1 4.41Å; I522-L564 HydrophobicContact CG2-CD2 4.42Å; L523-L564 HydrophobicContact CD2-CD2 3.81Å; L523-L564 HydrophobicContact CD2-CG 3.92Å; F526-L564 HydrophobicContact CB-CD2 3.73Å; F526-L564 HydrophobicContact CD1-CD2 3.54Å; F526-L564 HydrophobicContact CD2-CD2 4.42Å; F526-L564 HydrophobicContact CE1-CD2 4.25Å; F526-L564 HydrophobicContact CG-CD2 3.64Å; F545-L564 HydrophobicContact CE1-CD2 4.49Å; F545-L564 HydrophobicContact CZ-CD2 4.09Å; L549-L564 HydrophobicContact CD1-CD1 4.46Å; L560-L564 HydrophobicContact CB-CD1 4.15Å; L560-L564 VanDerWaalsContact O-CB 3.32Å; L560-L564 WeakPolarHBondContact O-CB 3.33Å; L560-L564 WeakPolarHBondContact O-CD1 3.44Å; L560-L564 VanDerWaalsContact O-CG 3.26Å; L560-L564 WeakPolarHBondContact O-CG 3.47Å; L560-L564 PolarHBondContact O-N 3.37Å; W562-L564 VanDerWaalsContact C-N 3.28Å; W562-L564 PolarHBondContact O-N 3.12Å; L564-A568 WeakPolarHBondContact O-CB 3.24Å; L564-A568 PolarHBondContact O-N 2.84Å; L564-A568 VanDerWaalsContact O-N 3.09Å; L564-L586 HydrophobicContact CB-CD1 4.12Å; L564-L586 HydrophobicContact CD1-CD1 3.72Å; L564-W588 HydrophobicContact CB-CZ2 4.39Å
565C90.1Very high87.3Confident0 Ų049.8 Ų49.80%024%0.24CC..Hα-helixtrans-64.3-46.7174-167.30000110.9R561 W562 I567 A568 I569 W588 M597R561-C565 PolarHBondContact O-N 3.07Å; W562-C565 HydrophobicContact CE3-CB 4.23Å; W562-C565 CarbonylContact O-C 3.59Å; W562-C565 WeakPolarHBondContact O-CA 3.4Å; W562-C565 WeakPolarHBondContact O-CB 3.46Å; W562-C565 PolarHBondContact O-N 3.25Å; C565-I567 PolarHBondContact O-N 3.28Å; C565-A568 WeakPolarHBondContact O-CB 3.48Å; C565-A568 PolarHBondContact O-N 2.84Å; C565-A568 VanDerWaalsContact O-N 3.07Å; C565-I569 WeakPolarHBondContact O-CG1 3.35Å; C565-I569 PolarHBondContact O-N 3.35Å; C565-W588 HydrophobicContact CB-CD2 4.16Å; C565-W588 HydrophobicContact CB-CG 4.49Å; C565-W588 HydrophobicContact CB-CZ2 4.01Å; C565-M597 HydrophobicContact CB-CE 3.95Å; C565-M597 HydrophobicContact CB-SD 4.47Å
566A88.4Confident87.8Confident32 Ų3243.3 Ų43.326%0.26421%0.21SC..Hα-helixtrans-59.8-46.9178.500000111.3W562 A568 I569 E570 M597W562-A566 PolarHBondContact O-N 3.29Å; A566-A568 PolarHBondContact O-N 3.33Å; A566-I569 PolarHBondContact O-N 2.6Å; A566-I569 VanDerWaalsContact O-N 3.16Å; A566-E570 WeakPolarHBondContact O-CB 3.3Å; A566-E570 WeakPolarHBondContact O-CG 3.28Å; A566-E570 PolarHBondContact O-N 2.91Å; A566-M597 HydrophobicContact CB-CE 3.78Å
567I90.5Very high88.1Confident10 Ų1045 Ų455%0.05122%0.219CC..Hα-helixtrans-60.2-36.4175.4-65.8169.5000111.7L523 F526 R527 L530 P563 C565 A571L523-I567 HydrophobicContact CB-CD1 3.98Å; L523-I567 HydrophobicContact CD2-CD1 3.76Å; L523-I567 HydrophobicContact CG-CD1 4.34Å; F526-I567 HydrophobicContact CD1-CB 3.98Å; F526-I567 HydrophobicContact CD1-CD1 4.49Å; F526-I567 HydrophobicContact CD1-CG2 3.56Å; F526-I567 HydrophobicContact CE1-CB 4.04Å; F526-I567 HydrophobicContact CE1-CG2 3.74Å; R527-I567 HydrophobicContact CG-CD1 4.4Å; R527-I567 HydrophobicContact CG-CG2 4.04Å; L530-I567 HydrophobicContact CD1-CG2 3.78Å; P563-I567 VanDerWaalsContact O-CG1 3.26Å; P563-I567 WeakPolarHBondContact O-CG1 3.27Å; P563-I567 PolarHBondContact O-N 3.12Å; P563-I567 VanDerWaalsContact O-N 3.08Å; C565-I567 PolarHBondContact O-N 3.28Å; I567-A571 WeakPolarHBondContact O-CB 3.28Å; I567-A571 PolarHBondContact O-N 3.05Å; I567-A571 VanDerWaalsContact O-N 3.13Å
568A91.1Very high88.5Confident1 Ų144.5 Ų44.51%0.00822%0.216CC..Hα-helixtrans-70.7-38.4177.700000112.2F526 L564 C565 A566 A571 L574 W588 F605F526-A568 HydrophobicContact CE1-CB 4.21Å; F526-A568 HydrophobicContact CZ-CB 4.24Å; L564-A568 WeakPolarHBondContact O-CB 3.24Å; L564-A568 PolarHBondContact O-N 2.84Å; L564-A568 VanDerWaalsContact O-N 3.09Å; C565-A568 WeakPolarHBondContact O-CB 3.48Å; C565-A568 PolarHBondContact O-N 2.84Å; C565-A568 VanDerWaalsContact O-N 3.07Å; A566-A568 PolarHBondContact O-N 3.33Å; A568-A571 WeakPolarHBondContact O-CB 3.35Å; A568-A571 PolarHBondContact O-N 2.76Å; A568-L574 HydrophobicContact CB-CD2 4.1Å; A568-L574 WeakPolarHBondContact O-CD2 3.39Å; A568-W588 HydrophobicContact CB-CH2 3.88Å; A568-W588 HydrophobicContact CB-CZ3 4.4Å; A568-F605 HydrophobicContact CB-CE1 4.16Å; A568-F605 HydrophobicContact CB-CZ 3.93Å
569I87.9Confident88.9Confident32 Ų3240.7 Ų40.716%0.16420%0.196CC..Hα-helixtrans-64.8-43.9174.8-69.6171.3000110.6C565 A566 A571 M597 E601 F605C565-I569 WeakPolarHBondContact O-CG1 3.35Å; C565-I569 PolarHBondContact O-N 3.35Å; A566-I569 PolarHBondContact O-N 2.6Å; A566-I569 VanDerWaalsContact O-N 3.16Å; I569-A571 PolarHBondContact O-N 3.08Å; I569-M597 HydrophobicContact CD1-CE 3.65Å; I569-M597 HydrophobicContact CD1-SD 3.9Å; I569-E601 HydrophobicContact CG2-CG 3.9Å; I569-E601 WeakPolarHBondContact CG2-OE1 3.2Å; I569-F605 HydrophobicContact CD1-CB 4.27Å; I569-F605 HydrophobicContact CD1-CD1 4.05Å; I569-F605 HydrophobicContact CD1-CG 4.3Å; I569-F605 HydrophobicContact CG1-CB 3.98Å; I569-F605 HydrophobicContact CG1-CD1 3.46Å; I569-F605 VanDerWaalsContact CG1-CD1 3.46Å; I569-F605 HydrophobicContact CG1-CD2 4.12Å; I569-F605 HydrophobicContact CG1-CE1 3.85Å; I569-F605 HydrophobicContact CG1-CE2 4.48Å; I569-F605 HydrophobicContact CG1-CG 3.59Å; I569-F605 HydrophobicContact CG1-CZ 4.35Å
570E86.6Confident89.3Confident129 Ų12935.7 Ų35.760%0.60318%0.177SC*.SBendtrans-67.4-16175.7-70.1172.4-170.100113.4R527 A566 R572R527-E570 IonicContact NH2-OE2 2.77Å; A566-E570 WeakPolarHBondContact O-CB 3.3Å; A566-E570 WeakPolarHBondContact O-CG 3.28Å; A566-E570 PolarHBondContact O-N 2.91Å; E570-R572 PolarHBondContact O-N 3.34Å; E570-R572 VanDerWaalsContact O-N 3.1Å
571A87Confident89.6Confident23 Ų2337.5 Ų37.519%0.1919%0.187CC..  trans-72.6107.3-174.800000111.3L530 I567 A568 I569 Y573 L574L530-A571 HydrophobicContact CD1-CB 3.96Å; I567-A571 WeakPolarHBondContact O-CB 3.28Å; I567-A571 PolarHBondContact O-N 3.05Å; I567-A571 VanDerWaalsContact O-N 3.13Å; A568-A571 WeakPolarHBondContact O-CB 3.35Å; A568-A571 PolarHBondContact O-N 2.76Å; I569-A571 PolarHBondContact O-N 3.08Å; A571-Y573 PolarHBondContact O-N 2.77Å; A571-Y573 VanDerWaalsContact O-N 3.16Å; A571-L574 HydrophobicContact CB-CB 4.24Å
572R80.2Confident89.8Confident184 Ų18435.6 Ų35.669%0.69418%0.179SC*.SBendtrans-58.3-28.2178.9-171.3171.4175.3157.91.3114.7E570 E633E570-R572 PolarHBondContact O-N 3.34Å; E570-R572 VanDerWaalsContact O-N 3.1Å; R572-E633 IonicContact CZ-OE1 3.76Å; R572-E633 IonicContact NE-OE1 3.32Å; R572-E633 PolarHBondContact NE-OE1 3.4Å; R572-E633 IonicContact NH2-OE1 2.72Å; R572-E633 PolarHBondContact NH2-OE1 2.83Å; R572-E633 IonicContact NH2-OE2 2.67Å
573Y85.2Confident90Very high51 Ų5134 Ų3420%0.217%0.173CC..SBendtrans-131.991.5-179.6-51.8-78.6000110.6A571 N629 V632 E633A571-Y573 PolarHBondContact O-N 2.77Å; A571-Y573 VanDerWaalsContact O-N 3.16Å; Y573-N629 HydrophobicContact CD1-CB 4Å; Y573-N629 HydrophobicContact CE1-CB 3.34Å; Y573-N629 WeakPolarHBondContact CE1-O 3.4Å; Y573-N629 HydrophobicContact CE2-CB 4.21Å; Y573-N629 VanDerWaalsContact CE2-ND2 3.33Å; Y573-N629 WeakPolarHBondContact CE2-ND2 3.5Å; Y573-N629 VanDerWaalsContact CZ-CB 3.48Å; Y573-N629 VanDerWaalsContact CZ-CG 3.5Å; Y573-V632 HydrophobicContact CD1-CG1 4.39Å; Y573-E633 HydrophobicContact CE1-CG 3.79Å; Y573-E633 PolarHBondContact OH-OE1 2.76Å
574L88Confident90.2Very high14 Ų1438.9 Ų38.97%0.07319%0.192CC..  trans-126.7131-175.7178.863.8000110.8L530 W542 A568 A571 L576 A579 F605L530-L574 HydrophobicContact CD2-CD1 3.88Å; W542-L574 HydrophobicContact CH2-CD1 3.4Å; W542-L574 HydrophobicContact CZ2-CD1 3.45Å; W542-L574 VanDerWaalsContact CZ2-CD1 3.45Å; A568-L574 HydrophobicContact CB-CD2 4.1Å; A568-L574 WeakPolarHBondContact O-CD2 3.39Å; A571-L574 HydrophobicContact CB-CB 4.24Å; L574-L576 PolarHBondContact O-N 3.22Å; L574-A579 HydrophobicContact CD1-CB 4.23Å; L574-A579 HydrophobicContact CD2-CB 3.87Å; L574-A579 HydrophobicContact CG-CB 4.15Å; L574-F605 HydrophobicContact CD2-CE2 3.8Å; L574-F605 HydrophobicContact CD2-CZ 3.59Å
575S91.3Very high90.1Very high4 Ų443.6 Ų43.63%0.02821%0.21CC..  trans-76.1115.2163.6166.60000108.7N577 C578 A579 D613S575-N577 PolarHBondContact O-N 3.45Å; S575-N577 PolarHBondContact OG-N 3.06Å; S575-C578 WeakPolarHBondContact O-CB 3.31Å; S575-C578 PolarHBondContact O-N 3.25Å; S575-C578 VanDerWaalsContact O-N 3.15Å; S575-C578 PolarHBondContact OG-N 3.18Å; S575-C578 VanDerWaalsContact OG-N 3.14Å; S575-A579 WeakPolarHBondContact O-CB 3.4Å; S575-A579 PolarHBondContact O-N 2.84Å; S575-D613 WeakPolarHBondContact CA-OD1 3.47Å; S575-D613 PolarHBondContact OG-OD2 3.4Å
576L91.6Very high90.2Very high15 Ų1543.8 Ų43.88%0.07921%0.211CC..Hα-helixtrans-62.3-34.5174.7-62.9173.1000111.1L574 A579 S580 F605 A608 I609 G612 D613 F636L574-L576 PolarHBondContact O-N 3.22Å; L576-A579 PolarHBondContact O-N 3.04Å; L576-S580 WeakPolarHBondContact O-CB 3.31Å; L576-S580 PolarHBondContact O-N 3.02Å; L576-F605 HydrophobicContact CD2-CE2 4.23Å; L576-A608 HydrophobicContact CD1-CB 4.28Å; L576-A608 WeakPolarHBondContact CD1-O 3.31Å; L576-A608 HydrophobicContact CD2-CB 4.29Å; L576-I609 HydrophobicContact CD2-CG1 4.11Å; L576-G612 WeakPolarHBondContact CD1-O 3.35Å; L576-D613 WeakPolarHBondContact CB-OD1 3.47Å; L576-D613 PolarHBondContact N-OD1 2.99Å; L576-F636 HydrophobicContact CD1-CE1 3.96Å; L576-F636 HydrophobicContact CD1-CZ 4.22Å
577N91.9Very high90.1Very high81 Ų8146.2 Ų46.243%0.43322%0.22SC..Hα-helixtrans-63.7-42172.9-68.5-40.6000111.5S575 S580 D613S575-N577 PolarHBondContact O-N 3.45Å; S575-N577 PolarHBondContact OG-N 3.06Å; N577-S580 WeakPolarHBondContact O-CB 3.45Å; N577-S580 PolarHBondContact O-N 2.81Å; N577-S580 PolarHBondContact O-OG 3.15Å; N577-D613 WeakPolarHBondContact CB-OD2 3.49Å; N577-D613 VanDerWaalsContact CG-OD2 3.29Å; N577-D613 PolarHBondContact N-OD2 3.1Å; N577-D613 WeakPolarHBondContact ND2-CB 3.43Å; N577-D613 VanDerWaalsContact ND2-CG 3.32Å; N577-D613 PolarHBondContact ND2-OD2 3.18Å
578C93.2Very high90Very high0 Ų045.8 Ų45.80%022%0.217CC..Hα-helixtrans-69.5-40.9174.2-73.40000112.1W542 S575 S580 L581W542-C578 HydrophobicContact CB-CB 4.49Å; W542-C578 HydrophobicContact CD2-CB 3.59Å; W542-C578 HydrophobicContact CE3-CB 4.21Å; W542-C578 VanDerWaalsContact CE3-O 3.27Å; W542-C578 HydrophobicContact CG-CB 3.69Å; W542-C578 HydrophobicContact CZ2-CB 4.15Å; S575-C578 WeakPolarHBondContact O-CB 3.31Å; S575-C578 PolarHBondContact O-N 3.25Å; S575-C578 VanDerWaalsContact O-N 3.15Å; S575-C578 PolarHBondContact OG-N 3.18Å; S575-C578 VanDerWaalsContact OG-N 3.14Å; C578-S580 PolarHBondContact O-N 3.43Å; C578-L581 WeakPolarHBondContact O-CB 3.37Å; C578-L581 PolarHBondContact O-N 2.83Å; C578-L581 VanDerWaalsContact O-N 3.14Å
579A93.3Very high89.6Confident0 Ų049.4 Ų49.40%023%0.234CC..Hα-helixtrans-59-36.217500000111.8L574 S575 L576 L581 L582 A583 I609L574-A579 HydrophobicContact CD1-CB 4.23Å; L574-A579 HydrophobicContact CD2-CB 3.87Å; L574-A579 HydrophobicContact CG-CB 4.15Å; S575-A579 WeakPolarHBondContact O-CB 3.4Å; S575-A579 PolarHBondContact O-N 2.84Å; L576-A579 PolarHBondContact O-N 3.04Å; A579-L581 PolarHBondContact O-N 2.82Å; A579-L582 PolarHBondContact O-N 3.33Å; A579-A583 WeakPolarHBondContact O-CB 3.4Å; A579-A583 PolarHBondContact O-N 2.98Å; A579-I609 HydrophobicContact CB-CD1 3.98Å; A579-I609 HydrophobicContact CB-CG1 4.18Å
580S94Very high89.2Confident41 Ų4149.2 Ų49.229%0.28724%0.235SC..Hα-helixtrans-57-36.3176.481.30000113L576 N577 C578 L582 A583 E584L576-S580 WeakPolarHBondContact O-CB 3.31Å; L576-S580 PolarHBondContact O-N 3.02Å; N577-S580 WeakPolarHBondContact O-CB 3.45Å; N577-S580 PolarHBondContact O-N 2.81Å; N577-S580 PolarHBondContact O-OG 3.15Å; C578-S580 PolarHBondContact O-N 3.43Å; S580-L582 VanDerWaalsContact C-N 3.31Å; S580-L582 PolarHBondContact O-N 2.81Å; S580-A583 PolarHBondContact O-N 3.32Å; S580-E584 WeakPolarHBondContact O-CB 3.38Å; S580-E584 PolarHBondContact O-N 3.45Å
581L94Very high88Confident46 Ų4649.2 Ų49.224%0.24123%0.234CC..Hα-helixtrans-64.1-38.9177-59.2174.1000111.4P539 W542 Q543 I546 C578 A579 R585P539-L581 HydrophobicContact CB-CD1 4.17Å; W542-L581 HydrophobicContact CB-CD1 4.32Å; Q543-L581 HydrophobicContact CG-CD1 4.23Å; I546-L581 HydrophobicContact CD1-CB 3.87Å; C578-L581 WeakPolarHBondContact O-CB 3.37Å; C578-L581 PolarHBondContact O-N 2.83Å; C578-L581 VanDerWaalsContact O-N 3.14Å; A579-L581 PolarHBondContact O-N 2.82Å; L581-R585 WeakPolarHBondContact O-CB 3.38Å; L581-R585 PolarHBondContact O-N 3.17Å
582L93.8Very high86.8Confident0 Ų055 Ų550%026%0.261CS..Hα-helixtrans-76.7-40.4178.3-170.763.3000111F526 W542 F545 I546 L549 A579 S580 E584 R585 L586 W588F526-L582 HydrophobicContact CE2-CD2 3.81Å; F526-L582 HydrophobicContact CZ-CD2 3.82Å; W542-L582 HydrophobicContact CE3-CB 4.12Å; W542-L582 HydrophobicContact CZ3-CB 3.92Å; W542-L582 HydrophobicContact CZ3-CD2 3.92Å; F545-L582 HydrophobicContact CD1-CD1 4.46Å; F545-L582 HydrophobicContact CE1-CD1 4.21Å; I546-L582 HydrophobicContact CG1-CD1 4.04Å; L549-L582 HydrophobicContact CD2-CD1 4.36Å; A579-L582 PolarHBondContact O-N 3.33Å; S580-L582 VanDerWaalsContact C-N 3.31Å; S580-L582 PolarHBondContact O-N 2.81Å; L582-E584 PolarHBondContact O-N 2.88Å; L582-R585 PolarHBondContact O-N 3.06Å; L582-L586 HydrophobicContact CD1-CD1 3.74Å; L582-L586 HydrophobicContact CD1-CG 4.12Å; L582-L586 HydrophobicContact CD2-CD1 4.42Å; L582-L586 HydrophobicContact CG-CD1 3.84Å; L582-L586 HydrophobicContact CG-CG 4.46Å; L582-L586 WeakPolarHBondContact O-CB 3.48Å; L582-L586 PolarHBondContact O-N 3.34Å; L582-W588 HydrophobicContact CB-CH2 4.28Å; L582-W588 HydrophobicContact CD2-CH2 3.78Å; L582-W588 HydrophobicContact CD2-CZ2 3.76Å; L582-W588 HydrophobicContact CG-CH2 4.02Å; L582-W588 HydrophobicContact CG-CZ2 3.86Å
583A91.8Very high85.8Confident0 Ų051.2 Ų51.20%026%0.255CS..Hα-helixtrans-60-43.117600000112.5A579 S580 N587 W588 I609A579-A583 WeakPolarHBondContact O-CB 3.4Å; A579-A583 PolarHBondContact O-N 2.98Å; S580-A583 PolarHBondContact O-N 3.32Å; A583-N587 WeakPolarHBondContact O-CA 3.25Å; A583-N587 PolarHBondContact O-N 3.47Å; A583-W588 VanDerWaalsContact CA-CE3 3.48Å; A583-W588 HydrophobicContact CB-CB 4.33Å; A583-W588 HydrophobicContact CB-CD2 3.93Å; A583-W588 HydrophobicContact CB-CE3 3.33Å; A583-W588 HydrophobicContact CB-CG 4.36Å; A583-W588 HydrophobicContact CB-CZ3 3.94Å; A583-W588 PolarHBondContact O-N 3.36Å; A583-I609 HydrophobicContact CB-CD1 4.15Å
584E91.9Very high84.4Confident154 Ų15449.9 Ų49.972%0.7225%0.253SS*.Hα-helixtrans-65.2-45174.7-173.1-178.1-177.600110.7S580 L582 N587S580-E584 WeakPolarHBondContact O-CB 3.38Å; S580-E584 PolarHBondContact O-N 3.45Å; L582-E584 PolarHBondContact O-N 2.88Å; E584-N587 PolarHBondContact O-N 3.46Å
585R91.3Very high83.1Confident99 Ų9958.1 Ų58.137%0.37429%0.291SS..Hα-helixtrans-66.3-41.1-179.1174.959.3-173.583.91.6113I546 N550 L581 L582I546-R585 HydrophobicContact CG2-CB 4.45Å; I546-R585 HydrophobicContact CG2-CG 3.89Å; N550-R585 VanDerWaalsContact OD1-CZ 3.23Å; N550-R585 PolarHBondContact OD1-NE 3.39Å; N550-R585 PolarHBondContact OD1-NH2 2.9Å; L581-R585 WeakPolarHBondContact O-CB 3.38Å; L581-R585 PolarHBondContact O-N 3.17Å; L582-R585 PolarHBondContact O-N 3.06Å
586L90.4Very high81.8Confident3 Ų361.6 Ų61.62%0.01633%0.328CS..Hα-helixtrans-90.7-4.5-177.6-73.3177.6000112.9L549 V557 R561 L564 L582 W588L549-L586 HydrophobicContact CD2-CD2 3.97Å; L549-L586 HydrophobicContact CD2-CG 4.4Å; V557-L586 HydrophobicContact CG1-CD2 3.68Å; R561-L586 HydrophobicContact CG-CB 4.37Å; R561-L586 PolarHBondContact NE-O 2.88Å; L564-L586 HydrophobicContact CB-CD1 4.12Å; L564-L586 HydrophobicContact CD1-CD1 3.72Å; L582-L586 HydrophobicContact CD1-CD1 3.74Å; L582-L586 HydrophobicContact CD1-CG 4.12Å; L582-L586 HydrophobicContact CD2-CD1 4.42Å; L582-L586 HydrophobicContact CG-CD1 3.84Å; L582-L586 HydrophobicContact CG-CG 4.46Å; L582-L586 WeakPolarHBondContact O-CB 3.48Å; L582-L586 PolarHBondContact O-N 3.34Å; L586-W588 HydrophobicContact CD1-CZ2 4.05Å
587N87.2Confident80.9Confident84 Ų8462.3 Ų62.345%0.44933%0.331SS..THydrogen-bonded Turntrans56.847.6-178.4-165.438.9000113.2A583 E584 H589 S590A583-N587 WeakPolarHBondContact O-CA 3.25Å; A583-N587 PolarHBondContact O-N 3.47Å; E584-N587 PolarHBondContact O-N 3.46Å; N587-H589 PolarHBondContact O-N 3.39Å; N587-S590 WeakPolarHBondContact ND2-CB 3.42Å; N587-S590 PolarHBondContact O-N 2.98Å; N587-S590 VanDerWaalsContact O-N 3.15Å; N587-S590 PolarHBondContact O-OG 3.49Å; N587-S590 VanDerWaalsContact O-OG 3.09Å
588W89.2Confident80.2Confident0 Ų060.7 Ų60.70%032%0.322CS..THydrogen-bonded Turntrans-60.3-16.6179.5-67.4-20.7000113.9R561 L564 C565 A568 L582 A583 L586 S590 F605 L606 I609R561-W588 PolarHBondContact O-NE1 3.22Å; R561-W588 VanDerWaalsContact O-NE1 3.12Å; L564-W588 HydrophobicContact CB-CZ2 4.39Å; C565-W588 HydrophobicContact CB-CD2 4.16Å; C565-W588 HydrophobicContact CB-CG 4.49Å; C565-W588 HydrophobicContact CB-CZ2 4.01Å; A568-W588 HydrophobicContact CB-CH2 3.88Å; A568-W588 HydrophobicContact CB-CZ3 4.4Å; L582-W588 HydrophobicContact CB-CH2 4.28Å; L582-W588 HydrophobicContact CD2-CH2 3.78Å; L582-W588 HydrophobicContact CD2-CZ2 3.76Å; L582-W588 HydrophobicContact CG-CH2 4.02Å; L582-W588 HydrophobicContact CG-CZ2 3.86Å; A583-W588 VanDerWaalsContact CA-CE3 3.48Å; A583-W588 HydrophobicContact CB-CB 4.33Å; A583-W588 HydrophobicContact CB-CD2 3.93Å; A583-W588 HydrophobicContact CB-CE3 3.33Å; A583-W588 HydrophobicContact CB-CG 4.36Å; A583-W588 HydrophobicContact CB-CZ3 3.94Å; A583-W588 PolarHBondContact O-N 3.36Å; L586-W588 HydrophobicContact CD1-CZ2 4.05Å; W588-S590 VanDerWaalsContact C-N 3.28Å; W588-S590 PolarHBondContact O-N 3.27Å; W588-F605 HydrophobicContact CE3-CE1 4.28Å; W588-F605 AromaticContact CZ3-CE1 3.85Å; W588-F605 HydrophobicContact CZ3-CE1 3.85Å; W588-L606 HydrophobicContact CB-CD2 3.88Å; W588-I609 HydrophobicContact CE3-CD1 4.14Å; W588-I609 HydrophobicContact CZ3-CD1 4.05Å
589H82.6Confident79.4Confident77 Ų7765.9 Ų65.936%0.35635%0.346SS..THydrogen-bonded Turntrans-74.8-5.5177.1-55.391000114.7N587N587-H589 PolarHBondContact O-N 3.39Å
590S78.1Confident78.7Confident29 Ų2973.2 Ų73.220%0.20338%0.381CS..  trans-82.8125.2179.360.90000112.8N587 W588 N592N587-S590 WeakPolarHBondContact ND2-CB 3.42Å; N587-S590 PolarHBondContact O-N 2.98Å; N587-S590 VanDerWaalsContact O-N 3.15Å; N587-S590 PolarHBondContact O-OG 3.49Å; N587-S590 VanDerWaalsContact O-OG 3.09Å; W588-S590 VanDerWaalsContact C-N 3.28Å; W588-S590 PolarHBondContact O-N 3.27Å; S590-N592 PolarHBondContact O-N 2.84Å
591F62.2Low78.1Confident128 Ų12876.4 Ų76.456%0.56139%0.391SS*.  trans-75-17.9-176.6-70.1-85000115.9D593F591-D593 PolarHBondContact O-N 2.6Å
592N61.3Low77.5Confident144 Ų14474.3 Ų74.377%0.7738%0.38SS*.THydrogen-bonded Turntrans-76.7-19.6-158.6-77.6-5.9000116.3S590S590-N592 PolarHBondContact O-N 2.84Å
593D58.9Low77.1Confident106 Ų10678.6 Ų78.657%0.56740%0.4SS*.THydrogen-bonded Turntrans-142.732.6-164.3-60.2-54.1000114.7W562 F591 E595W562-D593 PolarHBondContact NE1-O 2.88Å; F591-D593 PolarHBondContact O-N 2.6Å; D593-E595 VanDerWaalsContact C-N 3.28Å; D593-E595 PolarHBondContact O-N 3.5Å; D593-E595 VanDerWaalsContact O-N 3.09Å
594S57.4Low76.7Confident22 Ų2281.3 Ų81.315%0.15442%0.422CS..  trans-8369.1172.459.90000111.5G596 R602S594-G596 PolarHBondContact O-N 3.21Å; S594-R602 PolarHBondContact OG-NH1 3.3Å
595E58.7Low76.5Confident188 Ų18875.1 Ų75.188%0.87939%0.393SS*.THydrogen-bonded Turntrans-68117.8168.7-70.8-172.5162.900109.3D593D593-E595 VanDerWaalsContact C-N 3.28Å; D593-E595 PolarHBondContact O-N 3.5Å; D593-E595 VanDerWaalsContact O-N 3.09Å
596G65.5Low76.3Confident77 Ų7771.2 Ų71.279%0.79438%0.38SS*.THydrogen-bonded Turntrans93.63.617000000117.3S594S594-G596 PolarHBondContact O-N 3.21Å
597M71.9Confident76.1Confident29 Ų2977 Ų7714%0.14341%0.407CS..SBendtrans-112136.6174.5178.2172.4-86.300110.2W562 C565 A566 I569 E599 R602W562-M597 HydrophobicContact CE3-SD 4.36Å; C565-M597 HydrophobicContact CB-CE 3.95Å; C565-M597 HydrophobicContact CB-SD 4.47Å; A566-M597 HydrophobicContact CB-CE 3.78Å; I569-M597 HydrophobicContact CD1-CE 3.65Å; I569-M597 HydrophobicContact CD1-SD 3.9Å; M597-E599 PolarHBondContact O-N 3.48Å; M597-R602 HydrophobicContact CG-CB 4.21Å; M597-R602 HydrophobicContact SD-CB 3.92Å; M597-R602 HydrophobicContact SD-CG 4Å
598D77.2Confident76Confident48 Ų4874.7 Ų74.726%0.25740%0.399SS..  trans-56.4124.6172.5-179.6-47000109.7E600 E601 R602D598-E600 VanDerWaalsContact OD1-CA 3.29Å; D598-E600 WeakPolarHBondContact OD1-CA 3.24Å; D598-E600 VanDerWaalsContact OD1-CB 3.32Å; D598-E600 WeakPolarHBondContact OD1-CB 3.19Å; D598-E600 PolarHBondContact OD1-N 3.07Å; D598-E601 HydrophobicContact CB-CB 3.97Å; D598-E601 PolarHBondContact OD1-N 3.08Å; D598-R602 WeakPolarHBondContact O-CB 3.41Å; D598-R602 PolarHBondContact O-N 2.97Å; D598-R602 VanDerWaalsContact O-N 3.13Å
599E77.6Confident76Confident108 Ų10875.2 Ų75.251%0.50540%0.402SS..Hα-helixtrans-67.9-37.8-179.1-75.6-161.8123.500112.6M597 R602 E603M597-E599 PolarHBondContact O-N 3.48Å; E599-R602 IonicContact OE1-NH2 3.01Å; E599-R602 PolarHBondContact OE1-NH2 3.26Å; E599-E603 WeakPolarHBondContact O-CB 3.33Å; E599-E603 WeakPolarHBondContact O-CG 3.32Å; E599-E603 PolarHBondContact O-N 2.85Å
600E77.6Confident76.2Confident155 Ų15578.2 Ų78.272%0.72442%0.416SS*.Hα-helixtrans-68.3-44.7179.6-61-171.4176.400110.9D598 E603 A604D598-E600 VanDerWaalsContact OD1-CA 3.29Å; D598-E600 WeakPolarHBondContact OD1-CA 3.24Å; D598-E600 VanDerWaalsContact OD1-CB 3.32Å; D598-E600 WeakPolarHBondContact OD1-CB 3.19Å; D598-E600 PolarHBondContact OD1-N 3.07Å; E600-E603 PolarHBondContact O-N 3.32Å; E600-A604 WeakPolarHBondContact O-CB 3.25Å; E600-A604 PolarHBondContact O-N 3Å
601E81.4Confident76.4Confident107 Ų10779.9 Ų79.950%0.543%0.431SS..Hα-helixtrans-63.7-43177.4-169.7177.9-148.400111.2I569 D598 A604 F605I569-E601 HydrophobicContact CG2-CG 3.9Å; I569-E601 WeakPolarHBondContact CG2-OE1 3.2Å; D598-E601 HydrophobicContact CB-CB 3.97Å; D598-E601 PolarHBondContact OD1-N 3.08Å; E601-A604 PolarHBondContact O-N 3.45Å; E601-F605 WeakPolarHBondContact O-CB 3.34Å; E601-F605 PolarHBondContact O-N 3.24Å
602R82.4Confident77.6Confident3 Ų374.5 Ų74.51%0.01141%0.412CS..Hα-helixtrans-61.9-48175.2-177.6-165.765-167.8-12.2111.6S594 M597 D598 E599 F605 L606S594-R602 PolarHBondContact OG-NH1 3.3Å; M597-R602 HydrophobicContact CG-CB 4.21Å; M597-R602 HydrophobicContact SD-CB 3.92Å; M597-R602 HydrophobicContact SD-CG 4Å; D598-R602 WeakPolarHBondContact O-CB 3.41Å; D598-R602 PolarHBondContact O-N 2.97Å; D598-R602 VanDerWaalsContact O-N 3.13Å; E599-R602 IonicContact OE1-NH2 3.01Å; E599-R602 PolarHBondContact OE1-NH2 3.26Å; R602-F605 PolarHBondContact O-N 3.12Å; R602-L606 HydrophobicContact CG-CD1 4.14Å; R602-L606 HydrophobicContact CG-CG 4.49Å; R602-L606 WeakPolarHBondContact O-CG 3.49Å; R602-L606 PolarHBondContact O-N 2.88Å
603E85.1Confident79Confident89 Ų8968.7 Ų68.742%0.41638%0.381SS..Hα-helixtrans-60.6-46.8179-80.5-173.2178.800111E599 E600 F605 L606 E607E599-E603 WeakPolarHBondContact O-CB 3.33Å; E599-E603 WeakPolarHBondContact O-CG 3.32Å; E599-E603 PolarHBondContact O-N 2.85Å; E600-E603 PolarHBondContact O-N 3.32Å; E603-F605 VanDerWaalsContact C-N 3.29Å; E603-F605 PolarHBondContact O-N 3.28Å; E603-L606 PolarHBondContact O-N 3.36Å; E603-E607 WeakPolarHBondContact O-CG 3.5Å; E603-E607 PolarHBondContact O-N 3.36Å
604A82.8Confident80.3Confident57 Ų5763.7 Ų63.747%0.47135%0.354SS..Hα-helixtrans-59-39.5176.300000112.4E600 E601 A608E600-A604 WeakPolarHBondContact O-CB 3.25Å; E600-A604 PolarHBondContact O-N 3Å; E601-A604 PolarHBondContact O-N 3.45Å; A604-A608 WeakPolarHBondContact O-CB 3.41Å; A604-A608 PolarHBondContact O-N 3.36Å
605F88Confident81.9Confident24 Ų2462.9 Ų62.911%0.10535%0.348CS..Hα-helixtrans-68.1-41.7176.5-177.2-121000112.8A568 I569 L574 L576 W588 E601 R602 E603 A608 I609A568-F605 HydrophobicContact CB-CE1 4.16Å; A568-F605 HydrophobicContact CB-CZ 3.93Å; I569-F605 HydrophobicContact CD1-CB 4.27Å; I569-F605 HydrophobicContact CD1-CD1 4.05Å; I569-F605 HydrophobicContact CD1-CG 4.3Å; I569-F605 HydrophobicContact CG1-CB 3.98Å; I569-F605 HydrophobicContact CG1-CD1 3.46Å; I569-F605 VanDerWaalsContact CG1-CD1 3.46Å; I569-F605 HydrophobicContact CG1-CD2 4.12Å; I569-F605 HydrophobicContact CG1-CE1 3.85Å; I569-F605 HydrophobicContact CG1-CE2 4.48Å; I569-F605 HydrophobicContact CG1-CG 3.59Å; I569-F605 HydrophobicContact CG1-CZ 4.35Å; L574-F605 HydrophobicContact CD2-CE2 3.8Å; L574-F605 HydrophobicContact CD2-CZ 3.59Å; L576-F605 HydrophobicContact CD2-CE2 4.23Å; W588-F605 HydrophobicContact CE3-CE1 4.28Å; W588-F605 AromaticContact CZ3-CE1 3.85Å; W588-F605 HydrophobicContact CZ3-CE1 3.85Å; E601-F605 WeakPolarHBondContact O-CB 3.34Å; E601-F605 PolarHBondContact O-N 3.24Å; R602-F605 PolarHBondContact O-N 3.12Å; E603-F605 VanDerWaalsContact C-N 3.29Å; E603-F605 PolarHBondContact O-N 3.28Å; F605-A608 WeakPolarHBondContact O-CB 3.48Å; F605-A608 PolarHBondContact O-N 3.21Å; F605-I609 HydrophobicContact CD1-CD1 3.96Å; F605-I609 HydrophobicContact CE1-CD1 3.54Å; F605-I609 HydrophobicContact CE1-CG1 4.38Å; F605-I609 HydrophobicContact CE2-CD1 4.42Å; F605-I609 HydrophobicContact CE2-CG1 4.44Å; F605-I609 HydrophobicContact CZ-CD1 3.8Å; F605-I609 HydrophobicContact CZ-CG1 4.26Å; F605-I609 WeakPolarHBondContact O-CG1 3.5Å; F605-I609 PolarHBondContact O-N 3.01Å
606L87.3Confident83.4Confident17 Ų1757.4 Ų57.49%0.08933%0.325CS..Hα-helixtrans-66.4-38.6176.4-69.8175.5000111.9W588 R602 E603 A608 I609 Q610W588-L606 HydrophobicContact CB-CD2 3.88Å; R602-L606 HydrophobicContact CG-CD1 4.14Å; R602-L606 HydrophobicContact CG-CG 4.49Å; R602-L606 WeakPolarHBondContact O-CG 3.49Å; R602-L606 PolarHBondContact O-N 2.88Å; E603-L606 PolarHBondContact O-N 3.36Å; L606-A608 VanDerWaalsContact C-N 3.32Å; L606-I609 HydrophobicContact CD2-CD1 4.49Å; L606-I609 PolarHBondContact O-N 2.66Å; L606-Q610 WeakPolarHBondContact O-CG 3.38Å; L606-Q610 PolarHBondContact O-N 2.93Å
607E86.1Confident84.5Confident126 Ų12653.9 Ų53.959%0.58929%0.288SS*.Hα-helixtrans-60.8-41.6170.8-74.4-172.217000111.5E603 Q610 A611E603-E607 WeakPolarHBondContact O-CG 3.5Å; E603-E607 PolarHBondContact O-N 3.36Å; E607-Q610 PolarHBondContact O-N 3.07Å; E607-A611 PolarHBondContact O-N 3.14Å
608A85.1Confident85.4Confident35 Ų3555.4 Ų55.429%0.28930%0.296SS..Hα-helixtrans-62.3-44.6174.400000111.9L576 A604 F605 L606 Q610 A611 G612L576-A608 HydrophobicContact CD1-CB 4.28Å; L576-A608 WeakPolarHBondContact CD1-O 3.31Å; L576-A608 HydrophobicContact CD2-CB 4.29Å; A604-A608 WeakPolarHBondContact O-CB 3.41Å; A604-A608 PolarHBondContact O-N 3.36Å; F605-A608 WeakPolarHBondContact O-CB 3.48Å; F605-A608 PolarHBondContact O-N 3.21Å; L606-A608 VanDerWaalsContact C-N 3.32Å; A608-Q610 VanDerWaalsContact C-N 3.28Å; A608-Q610 PolarHBondContact O-N 2.84Å; A608-A611 WeakPolarHBondContact O-CB 3.12Å; A608-A611 PolarHBondContact O-N 2.85Å; A608-A611 VanDerWaalsContact O-N 3.12Å; A608-G612 PolarHBondContact O-N 3.28Å
609I88.8Confident86Confident10 Ų1054.7 Ų54.75%0.05130%0.295CS..Hα-helixtrans-57.7-42.3175.2-72.1176.4000111.3L576 A579 A583 W588 F605 L606 A611 G612L576-I609 HydrophobicContact CD2-CG1 4.11Å; A579-I609 HydrophobicContact CB-CD1 3.98Å; A579-I609 HydrophobicContact CB-CG1 4.18Å; A583-I609 HydrophobicContact CB-CD1 4.15Å; W588-I609 HydrophobicContact CE3-CD1 4.14Å; W588-I609 HydrophobicContact CZ3-CD1 4.05Å; F605-I609 HydrophobicContact CD1-CD1 3.96Å; F605-I609 HydrophobicContact CE1-CD1 3.54Å; F605-I609 HydrophobicContact CE1-CG1 4.38Å; F605-I609 HydrophobicContact CE2-CD1 4.42Å; F605-I609 HydrophobicContact CE2-CG1 4.44Å; F605-I609 HydrophobicContact CZ-CD1 3.8Å; F605-I609 HydrophobicContact CZ-CG1 4.26Å; F605-I609 WeakPolarHBondContact O-CG1 3.5Å; F605-I609 PolarHBondContact O-N 3.01Å; L606-I609 HydrophobicContact CD2-CD1 4.49Å; L606-I609 PolarHBondContact O-N 2.66Å; I609-A611 VanDerWaalsContact C-N 3.34Å; I609-G612 PolarHBondContact O-N 3.36Å
610Q86.6Confident86.6Confident141 Ų14149.5 Ų49.566%0.65927%0.271SS*.Hα-helixtrans-66.1-35.1177.4-71.6177.418.300112.6L606 E607 A608 G612L606-Q610 WeakPolarHBondContact O-CG 3.38Å; L606-Q610 PolarHBondContact O-N 2.93Å; E607-Q610 PolarHBondContact O-N 3.07Å; A608-Q610 VanDerWaalsContact C-N 3.28Å; A608-Q610 PolarHBondContact O-N 2.84Å; Q610-G612 VanDerWaalsContact C-N 3.29Å; Q610-G612 PolarHBondContact O-N 2.84Å
611A82.6Confident87.1Confident63 Ų6344.6 Ų44.652%0.52125%0.249SC..Hα-helixtrans-68.4-28.5174.900000112.9E607 A608 I609E607-A611 PolarHBondContact O-N 3.14Å; A608-A611 WeakPolarHBondContact O-CB 3.12Å; A608-A611 PolarHBondContact O-N 2.85Å; A608-A611 VanDerWaalsContact O-N 3.12Å; I609-A611 VanDerWaalsContact C-N 3.34Å
612G87.6Confident87.4Confident15 Ų1548.1 Ų48.116%0.15527%0.265CS..  trans76.8-179.1179.400000114L576 A608 I609 Q610L576-G612 WeakPolarHBondContact CD1-O 3.35Å; A608-G612 PolarHBondContact O-N 3.28Å; I609-G612 PolarHBondContact O-N 3.36Å; Q610-G612 VanDerWaalsContact C-N 3.29Å; Q610-G612 PolarHBondContact O-N 2.84Å
613D89.8Confident87.6Confident22 Ų2252.3 Ų52.312%0.11828%0.282CS..  trans-66.6146.1-177.4-66-37.4000112.9S575 L576 N577 F615S575-D613 WeakPolarHBondContact CA-OD1 3.47Å; S575-D613 PolarHBondContact OG-OD2 3.4Å; L576-D613 WeakPolarHBondContact CB-OD1 3.47Å; L576-D613 PolarHBondContact N-OD1 2.99Å; N577-D613 WeakPolarHBondContact CB-OD2 3.49Å; N577-D613 VanDerWaalsContact CG-OD2 3.29Å; N577-D613 PolarHBondContact N-OD2 3.1Å; N577-D613 WeakPolarHBondContact ND2-CB 3.43Å; N577-D613 VanDerWaalsContact ND2-CG 3.32Å; N577-D613 PolarHBondContact ND2-OD2 3.18Å; D613-F615 VanDerWaalsContact C-N 3.26Å; D613-F615 WeakPolarHBondContact CB-O 3.36Å; D613-F615 PolarHBondContact O-N 2.83Å
614C85.9Confident87.8Confident2 Ų252.5 Ų52.51%0.01429%0.291CS..SBendtrans-64.8-30.5179.663.70000113.2F636 E639 K670C614-F636 HydrophobicContact CB-CD2 4.45Å; C614-F636 HydrophobicContact CB-CE2 4.14Å; C614-F636 HydrophobicContact CB-CZ 4.49Å; C614-F636 WeakPolarHBondContact SG-CD2 3.09Å; C614-F636 WeakPolarHBondContact SG-CE2 3.29Å; C614-E639 WeakPolarHBondContact CA-OE2 3.45Å; C614-E639 WeakPolarHBondContact CB-OE2 3.43Å; C614-K670 PolarHBondContact O-NZ 3.11Å
615F91.3Very high87.8Confident4 Ų452.3 Ų52.32%0.01828%0.282CS..SBendtrans-155.3168.417363.6-95.3000110D613 F617 L620 T631 V632 Y635 P662 D664 L667D613-F615 VanDerWaalsContact C-N 3.26Å; D613-F615 WeakPolarHBondContact CB-O 3.36Å; D613-F615 PolarHBondContact O-N 2.83Å; F615-F617 AromaticContact CD2-CD1 3.95Å; F615-F617 HydrophobicContact CD2-CD1 3.95Å; F615-F617 HydrophobicContact CD2-CE1 4.48Å; F615-F617 HydrophobicContact CE1-CD1 4.42Å; F615-F617 HydrophobicContact CE1-CE1 4.11Å; F615-F617 AromaticContact CE2-CD1 3.55Å; F615-F617 HydrophobicContact CE2-CD1 3.55Å; F615-F617 HydrophobicContact CE2-CE1 4.05Å; F615-F617 AromaticContact CZ-CD1 3.79Å; F615-F617 HydrophobicContact CZ-CD1 3.79Å; F615-F617 AromaticContact CZ-CE1 3.82Å; F615-F617 HydrophobicContact CZ-CE1 3.82Å; F615-F617 WeakPolarHBondContact O-CD1 3.35Å; F615-F617 PolarHBondContact O-N 3.01Å; F615-F617 VanDerWaalsContact O-N 3.13Å; F615-L620 HydrophobicContact CE2-CD1 3.51Å; F615-L620 HydrophobicContact CE2-CD2 4.37Å; F615-L620 HydrophobicContact CE2-CG 3.8Å; F615-L620 HydrophobicContact CZ-CD1 3.65Å; F615-L620 HydrophobicContact CZ-CG 4.38Å; F615-T631 HydrophobicContact CZ-CG2 4.26Å; F615-V632 HydrophobicContact CZ-CG2 4.04Å; F615-Y635 HydrophobicContact CD1-CD2 4.09Å; F615-Y635 HydrophobicContact CD1-CG 4.26Å; F615-Y635 AromaticContact CE1-CD2 3.63Å; F615-Y635 HydrophobicContact CE1-CD2 3.63Å; F615-Y635 HydrophobicContact CE1-CG 4.06Å; F615-Y635 HydrophobicContact CZ-CD2 4.38Å; F615-P662 HydrophobicContact CD1-CG 4.2Å; F615-P662 HydrophobicContact CD2-CB 3.6Å; F615-P662 HydrophobicContact CD2-CG 3.56Å; F615-P662 HydrophobicContact CE1-CG 4.18Å; F615-P662 HydrophobicContact CE2-CB 3.97Å; F615-P662 HydrophobicContact CE2-CG 3.51Å; F615-P662 HydrophobicContact CG-CB 4.1Å; F615-P662 HydrophobicContact CG-CG 3.95Å; F615-P662 HydrophobicContact CZ-CG 3.86Å; F615-D664 WeakPolarHBondContact CA-OD2 3.48Å; F615-D664 HydrophobicContact CB-CB 4.1Å; F615-L667 HydrophobicContact CB-CB 3.75Å; F615-L667 HydrophobicContact CB-CD1 4.34Å; F615-L667 HydrophobicContact CB-CD2 3.86Å; F615-L667 HydrophobicContact CB-CG 4.18Å; F615-L667 HydrophobicContact CD1-CD1 4.35Å; F615-L667 HydrophobicContact CD1-CD2 3.96Å; F615-L667 HydrophobicContact CG-CD2 3.96Å
616D90.2Very high87.7Confident74 Ų7454.8 Ų54.840%0.39631%0.306SS..  trans-70106.8176.6-176.67.2000111.9L618 S619D616-L618 PolarHBondContact O-N 3.47Å; D616-L618 VanDerWaalsContact O-N 3.15Å; D616-L618 VanDerWaalsContact OD1-CB 3.23Å; D616-L618 WeakPolarHBondContact OD1-CB 3.34Å; D616-L618 VanDerWaalsContact OD1-CG 3.24Å; D616-L618 WeakPolarHBondContact OD1-CG 3.43Å; D616-L618 PolarHBondContact OD1-N 2.76Å; D616-S619 VanDerWaalsContact O-CB 3.3Å; D616-S619 WeakPolarHBondContact O-CB 3.35Å; D616-S619 PolarHBondContact O-N 2.63Å; D616-S619 VanDerWaalsContact O-N 3.09Å; D616-S619 PolarHBondContact O-OG 3.33Å
617F90.2Very high87.6Confident2 Ų256.5 Ų56.51%0.00932%0.315CS..G310 helixtrans-63.4-18.3178.2-69.2-3.3000114F537 F615 S619 L620 V632 F636F537-F617 HydrophobicContact CB-CB 3.93Å; F537-F617 HydrophobicContact CD1-CB 4.16Å; F537-F617 AromaticContact CD1-CD2 3.38Å; F537-F617 HydrophobicContact CD1-CD2 3.38Å; F537-F617 HydrophobicContact CD1-CE2 4.13Å; F537-F617 HydrophobicContact CD1-CG 4.23Å; F537-F617 HydrophobicContact CD2-CB 3.9Å; F537-F617 HydrophobicContact CD2-CD2 4.39Å; F537-F617 AromaticContact CE1-CD2 3.43Å; F537-F617 HydrophobicContact CE1-CD2 3.43Å; F537-F617 VanDerWaalsContact CE1-CD2 3.43Å; F537-F617 AromaticContact CE1-CE2 3.8Å; F537-F617 HydrophobicContact CE1-CE2 3.8Å; F537-F617 HydrophobicContact CE1-CG 4.37Å; F537-F617 HydrophobicContact CE2-CB 4.4Å; F537-F617 HydrophobicContact CE2-CD2 4.43Å; F537-F617 HydrophobicContact CG-CB 3.75Å; F537-F617 AromaticContact CG-CD2 3.88Å; F537-F617 HydrophobicContact CG-CD2 3.88Å; F537-F617 HydrophobicContact CG-CG 4.31Å; F537-F617 AromaticContact CZ-CD2 3.97Å; F537-F617 HydrophobicContact CZ-CD2 3.97Å; F537-F617 HydrophobicContact CZ-CE2 4.38Å; F615-F617 AromaticContact CD2-CD1 3.95Å; F615-F617 HydrophobicContact CD2-CD1 3.95Å; F615-F617 HydrophobicContact CD2-CE1 4.48Å; F615-F617 HydrophobicContact CE1-CD1 4.42Å; F615-F617 HydrophobicContact CE1-CE1 4.11Å; F615-F617 AromaticContact CE2-CD1 3.55Å; F615-F617 HydrophobicContact CE2-CD1 3.55Å; F615-F617 HydrophobicContact CE2-CE1 4.05Å; F615-F617 AromaticContact CZ-CD1 3.79Å; F615-F617 HydrophobicContact CZ-CD1 3.79Å; F615-F617 AromaticContact CZ-CE1 3.82Å; F615-F617 HydrophobicContact CZ-CE1 3.82Å; F615-F617 WeakPolarHBondContact O-CD1 3.35Å; F615-F617 PolarHBondContact O-N 3.01Å; F615-F617 VanDerWaalsContact O-N 3.13Å; F617-S619 PolarHBondContact O-N 3.26Å; F617-L620 WeakPolarHBondContact O-CB 3.41Å; F617-L620 PolarHBondContact O-N 3.39Å; F617-V632 HydrophobicContact CD1-CG2 4.22Å; F617-V632 HydrophobicContact CE1-CG1 4.29Å; F617-V632 HydrophobicContact CE1-CG2 3.87Å; F617-V632 HydrophobicContact CE2-CG1 4.43Å; F617-V632 HydrophobicContact CE2-CG2 4.42Å; F617-V632 HydrophobicContact CZ-CG1 3.78Å; F617-V632 HydrophobicContact CZ-CG2 3.96Å; F617-F636 AromaticContact CE1-CE2 3.74Å; F617-F636 HydrophobicContact CE1-CE2 3.74Å; F617-F636 HydrophobicContact CE1-CZ 4.46Å; F617-F636 HydrophobicContact CZ-CD2 4.45Å; F617-F636 AromaticContact CZ-CE2 3.38Å; F617-F636 HydrophobicContact CZ-CE2 3.38Å; F617-F636 AromaticContact CZ-CZ 3.84Å; F617-F636 HydrophobicContact CZ-CZ 3.84Å
618L90.7Very high87.6Confident61 Ų6150.8 Ų50.832%0.31929%0.289SS..G310 helixtrans-62.1-26.9174.4-59.6-177.5000112F537 Q538 D616 L620 L621F537-L618 WeakPolarHBondContact O-CD2 3.36Å; Q538-L618 HydrophobicContact CG-CD2 4.25Å; Q538-L618 VanDerWaalsContact NE2-CD2 3.34Å; D616-L618 PolarHBondContact O-N 3.47Å; D616-L618 VanDerWaalsContact O-N 3.15Å; D616-L618 VanDerWaalsContact OD1-CB 3.23Å; D616-L618 WeakPolarHBondContact OD1-CB 3.34Å; D616-L618 VanDerWaalsContact OD1-CG 3.24Å; D616-L618 WeakPolarHBondContact OD1-CG 3.43Å; D616-L618 PolarHBondContact OD1-N 2.76Å; L618-L620 PolarHBondContact O-N 3.12Å; L618-L621 HydrophobicContact CB-CD1 4.38Å; L618-L621 HydrophobicContact CD2-CD1 3.76Å; L618-L621 WeakPolarHBondContact O-CG 3.32Å; L618-L621 PolarHBondContact O-N 2.95Å
619S90Very high87.7Confident33 Ų3350.4 Ų50.423%0.23128%0.282CS..G310 helixtrans-63.5-16.3174.468.40000113.7D616 F617 P662D616-S619 VanDerWaalsContact O-CB 3.3Å; D616-S619 WeakPolarHBondContact O-CB 3.35Å; D616-S619 PolarHBondContact O-N 2.63Å; D616-S619 VanDerWaalsContact O-N 3.09Å; D616-S619 PolarHBondContact O-OG 3.33Å; F617-S619 PolarHBondContact O-N 3.26Å; S619-P662 WeakPolarHBondContact OG-CB 3.48Å
620L89.8Confident87.5Confident0 Ų054.3 Ų54.30%030%0.3CS..G310 helixtrans-94-9.7-178.4-64.7-178.3000114.2F615 F617 L618 E622 Y623 Q628 T631 V632 L660 P662F615-L620 HydrophobicContact CE2-CD1 3.51Å; F615-L620 HydrophobicContact CE2-CD2 4.37Å; F615-L620 HydrophobicContact CE2-CG 3.8Å; F615-L620 HydrophobicContact CZ-CD1 3.65Å; F615-L620 HydrophobicContact CZ-CG 4.38Å; F617-L620 WeakPolarHBondContact O-CB 3.41Å; F617-L620 PolarHBondContact O-N 3.39Å; L618-L620 PolarHBondContact O-N 3.12Å; L620-E622 PolarHBondContact O-N 3Å; L620-E622 VanDerWaalsContact O-N 3.1Å; L620-Y623 WeakPolarHBondContact O-CB 3.25Å; L620-Y623 PolarHBondContact O-N 3.44Å; L620-Q628 HydrophobicContact CB-CB 4.31Å; L620-Q628 HydrophobicContact CB-CG 4.03Å; L620-Q628 HydrophobicContact CD1-CB 4.34Å; L620-Q628 WeakPolarHBondContact O-CG 3.13Å; L620-Q628 PolarHBondContact O-NE2 3.2Å; L620-T631 HydrophobicContact CD1-CG2 4.42Å; L620-T631 HydrophobicContact CD2-CG2 4.03Å; L620-V632 HydrophobicContact CD1-CG2 3.79Å; L620-L660 HydrophobicContact CD2-CD2 3.56Å; L620-P662 HydrophobicContact CD2-CG 4.17Å
621L88.3Confident87.5Confident51 Ų5147.9 Ų47.927%0.26727%0.27SS..THydrogen-bonded Turntrans-64.1-22-168.8-70.4176000114.5F537 Q538 L618 Y623F537-L621 HydrophobicContact CD2-CD2 4.47Å; Q538-L621 HydrophobicContact CG-CD1 4.49Å; L618-L621 HydrophobicContact CB-CD1 4.38Å; L618-L621 HydrophobicContact CD2-CD1 3.76Å; L618-L621 WeakPolarHBondContact O-CG 3.32Å; L618-L621 PolarHBondContact O-N 2.95Å; L621-Y623 PolarHBondContact O-N 2.96Å
622E86.4Confident87.8Confident181 Ų18145.2 Ų45.285%0.84625%0.247SC*.THydrogen-bonded Turntrans-77.4-11.2177.3-58.5-169.5165.300113L620L620-E622 PolarHBondContact O-N 3Å; L620-E622 VanDerWaalsContact O-N 3.1Å
623Y87.9Confident87.6Confident91 Ų9147.7 Ų47.736%0.35726%0.255SS..SBendtrans-102155.6-174.5-60.4-79.9000112.7L620 L621 L627 Q628 L660L620-Y623 WeakPolarHBondContact O-CB 3.25Å; L620-Y623 PolarHBondContact O-N 3.44Å; L621-Y623 PolarHBondContact O-N 2.96Å; Y623-L627 HydrophobicContact CD1-CD2 3.8Å; Y623-L627 HydrophobicContact CG-CD2 4.18Å; Y623-Q628 PolarHBondContact O-NE2 3.35Å; Y623-L660 HydrophobicContact CD1-CD2 4.3Å; Y623-L660 HydrophobicContact CD2-CD2 3.82Å; Y623-L660 HydrophobicContact CE1-CD1 4.06Å; Y623-L660 HydrophobicContact CE1-CD2 4.33Å; Y623-L660 HydrophobicContact CE2-CD1 4.33Å; Y623-L660 HydrophobicContact CE2-CD2 3.86Å; Y623-L660 HydrophobicContact CG-CD2 4.04Å
624P87.8Confident87.5Confident93 Ų9347.4 Ų47.460%0.60425%0.252SS*.  trans-61.5146.3175.2-21.432.9000112.7A626 L627 Q628P624-A626 VanDerWaalsContact C-N 3.25Å; P624-A626 PolarHBondContact O-N 3.29Å; P624-A626 VanDerWaalsContact O-N 3.09Å; P624-L627 WeakPolarHBondContact O-CB 3.35Å; P624-L627 PolarHBondContact O-N 3.01Å; P624-Q628 WeakPolarHBondContact O-CG 3.24Å; P624-Q628 PolarHBondContact O-N 3.48Å
625I83.9Confident87.6Confident54 Ų5447.5 Ų47.528%0.27725%0.252SS..Hα-helixtrans-48.3-45-177.3-55.8173.7000112.9E533 L627 Q628 N629E533-I625 HydrophobicContact CB-CD1 4.03Å; E533-I625 HydrophobicContact CB-CG1 4.04Å; E533-I625 VanDerWaalsContact CD-CD1 3.43Å; E533-I625 HydrophobicContact CG-CD1 3.39Å; E533-I625 HydrophobicContact CG-CG1 3.93Å; E533-I625 WeakPolarHBondContact OE1-CD1 3.36Å; I625-L627 PolarHBondContact O-N 3.1Å; I625-Q628 WeakPolarHBondContact O-CB 3.23Å; I625-Q628 PolarHBondContact O-N 2.93Å; I625-Q628 VanDerWaalsContact O-N 3.13Å; I625-N629 WeakPolarHBondContact CG2-ND2 3.08Å; I625-N629 VanDerWaalsContact O-CB 3.28Å; I625-N629 WeakPolarHBondContact O-CB 3.32Å; I625-N629 VanDerWaalsContact O-CG 3.26Å; I625-N629 PolarHBondContact O-N 3.13Å; I625-N629 PolarHBondContact O-OD1 3.23Å
626A84.8Confident87.4Confident76 Ų7650.6 Ų50.663%0.62827%0.266SS*.Hα-helixtrans-57.4-39.7-178.700000112P624 Q630P624-A626 VanDerWaalsContact C-N 3.25Å; P624-A626 PolarHBondContact O-N 3.29Å; P624-A626 VanDerWaalsContact O-N 3.09Å; A626-Q630 VanDerWaalsContact O-CB 3.31Å; A626-Q630 WeakPolarHBondContact O-CB 3.34Å; A626-Q630 PolarHBondContact O-N 3.42Å
627L85.6Confident87.1Confident53 Ų5349 Ų4928%0.27726%0.263SS..Hα-helixtrans-74.5-39.2177.3-17361.2000111.5Y623 P624 I625 N629 T631 L660Y623-L627 HydrophobicContact CD1-CD2 3.8Å; Y623-L627 HydrophobicContact CG-CD2 4.18Å; P624-L627 WeakPolarHBondContact O-CB 3.35Å; P624-L627 PolarHBondContact O-N 3.01Å; I625-L627 PolarHBondContact O-N 3.1Å; L627-N629 VanDerWaalsContact C-N 3.35Å; L627-N629 PolarHBondContact O-N 3.2Å; L627-T631 VanDerWaalsContact O-CB 3.31Å; L627-T631 WeakPolarHBondContact O-CB 3.37Å; L627-T631 PolarHBondContact O-N 2.87Å; L627-T631 PolarHBondContact O-OG1 3.23Å; L627-L660 HydrophobicContact CD2-CD2 4.24Å; L627-L660 HydrophobicContact CG-CD2 4.29Å
628Q86.4Confident86.9Confident6 Ų649 Ų493%0.02826%0.263CS..Hα-helixtrans-57.3-51.8174.5-55.9-178.42.200110.3L620 Y623 P624 I625 T631 V632L620-Q628 HydrophobicContact CB-CB 4.31Å; L620-Q628 HydrophobicContact CB-CG 4.03Å; L620-Q628 HydrophobicContact CD1-CB 4.34Å; L620-Q628 WeakPolarHBondContact O-CG 3.13Å; L620-Q628 PolarHBondContact O-NE2 3.2Å; Y623-Q628 PolarHBondContact O-NE2 3.35Å; P624-Q628 WeakPolarHBondContact O-CG 3.24Å; P624-Q628 PolarHBondContact O-N 3.48Å; I625-Q628 WeakPolarHBondContact O-CB 3.23Å; I625-Q628 PolarHBondContact O-N 2.93Å; I625-Q628 VanDerWaalsContact O-N 3.13Å; Q628-T631 PolarHBondContact O-N 3.41Å; Q628-V632 WeakPolarHBondContact O-CG2 3.28Å; Q628-V632 PolarHBondContact O-N 2.75Å
629N86.4Confident86.7Confident26 Ų2647.7 Ų47.714%0.13926%0.255CS..Hα-helixtrans-61.3-47.9-178.1-769.4000111.9R536 Y573 I625 L627 T631 V632 E633R536-N629 PolarHBondContact NH2-OD1 3.49Å; R536-N629 VanDerWaalsContact NH2-OD1 3.15Å; Y573-N629 HydrophobicContact CD1-CB 4Å; Y573-N629 HydrophobicContact CE1-CB 3.34Å; Y573-N629 WeakPolarHBondContact CE1-O 3.4Å; Y573-N629 HydrophobicContact CE2-CB 4.21Å; Y573-N629 VanDerWaalsContact CE2-ND2 3.33Å; Y573-N629 WeakPolarHBondContact CE2-ND2 3.5Å; Y573-N629 VanDerWaalsContact CZ-CB 3.48Å; Y573-N629 VanDerWaalsContact CZ-CG 3.5Å; I625-N629 WeakPolarHBondContact CG2-ND2 3.08Å; I625-N629 VanDerWaalsContact O-CB 3.28Å; I625-N629 WeakPolarHBondContact O-CB 3.32Å; I625-N629 VanDerWaalsContact O-CG 3.26Å; I625-N629 PolarHBondContact O-N 3.13Å; I625-N629 PolarHBondContact O-OD1 3.23Å; L627-N629 VanDerWaalsContact C-N 3.35Å; L627-N629 PolarHBondContact O-N 3.2Å; N629-T631 VanDerWaalsContact C-N 3.28Å; N629-T631 PolarHBondContact O-N 3.13Å; N629-V632 PolarHBondContact O-N 3.1Å; N629-E633 WeakPolarHBondContact O-CB 3.42Å; N629-E633 WeakPolarHBondContact O-CG 2.97Å; N629-E633 PolarHBondContact O-N 3.31Å
630Q85.5Confident86.4Confident93 Ų9354 Ų5444%0.43527%0.274SS..Hα-helixtrans-60.8-38.7176.3-175-179.58.100112.1A626 Y634A626-Q630 VanDerWaalsContact O-CB 3.31Å; A626-Q630 WeakPolarHBondContact O-CB 3.34Å; A626-Q630 PolarHBondContact O-N 3.42Å; Q630-Y634 WeakPolarHBondContact O-CB 3.48Å; Q630-Y634 PolarHBondContact O-N 3.2Å
631T87.2Confident86Confident6 Ų654.5 Ų54.54%0.03728%0.277CS..Hα-helixtrans-67.9-45.1179.3-54.90000111.3F615 L620 L627 Q628 N629 Y634 Y635 L660 P662F615-T631 HydrophobicContact CZ-CG2 4.26Å; L620-T631 HydrophobicContact CD1-CG2 4.42Å; L620-T631 HydrophobicContact CD2-CG2 4.03Å; L627-T631 VanDerWaalsContact O-CB 3.31Å; L627-T631 WeakPolarHBondContact O-CB 3.37Å; L627-T631 PolarHBondContact O-N 2.87Å; L627-T631 PolarHBondContact O-OG1 3.23Å; Q628-T631 PolarHBondContact O-N 3.41Å; N629-T631 VanDerWaalsContact C-N 3.28Å; N629-T631 PolarHBondContact O-N 3.13Å; T631-Y634 PolarHBondContact O-N 3.5Å; T631-Y635 HydrophobicContact CG2-CD2 3.76Å; T631-Y635 HydrophobicContact CG2-CE2 3.6Å; T631-Y635 VanDerWaalsContact O-CD2 3.24Å; T631-Y635 WeakPolarHBondContact O-CD2 3.46Å; T631-Y635 PolarHBondContact O-N 2.96Å; T631-Y635 VanDerWaalsContact O-N 3.16Å; T631-L660 HydrophobicContact CG2-CB 4.22Å; T631-L660 HydrophobicContact CG2-CD2 4.48Å; T631-P662 HydrophobicContact CG2-CG 3.97Å
632V87.3Confident85.7Confident6 Ų653 Ų534%0.03627%0.27CS..Hα-helixtrans-59.7-50.7174.7172.10000110.3F537 Y573 F615 F617 L620 Q628 N629 Y634 Y635 F636F537-V632 HydrophobicContact CZ-CG2 4.49Å; Y573-V632 HydrophobicContact CD1-CG1 4.39Å; F615-V632 HydrophobicContact CZ-CG2 4.04Å; F617-V632 HydrophobicContact CD1-CG2 4.22Å; F617-V632 HydrophobicContact CE1-CG1 4.29Å; F617-V632 HydrophobicContact CE1-CG2 3.87Å; F617-V632 HydrophobicContact CE2-CG1 4.43Å; F617-V632 HydrophobicContact CE2-CG2 4.42Å; F617-V632 HydrophobicContact CZ-CG1 3.78Å; F617-V632 HydrophobicContact CZ-CG2 3.96Å; L620-V632 HydrophobicContact CD1-CG2 3.79Å; Q628-V632 WeakPolarHBondContact O-CG2 3.28Å; Q628-V632 PolarHBondContact O-N 2.75Å; N629-V632 PolarHBondContact O-N 3.1Å; V632-Y634 VanDerWaalsContact C-N 3.3Å; V632-Y634 PolarHBondContact O-N 2.93Å; V632-Y635 PolarHBondContact O-N 2.88Å; V632-F636 HydrophobicContact CG1-CD2 3.74Å; V632-F636 HydrophobicContact CG1-CE2 3.93Å; V632-F636 WeakPolarHBondContact O-CB 3.43Å; V632-F636 VanDerWaalsContact O-CD2 3.28Å; V632-F636 WeakPolarHBondContact O-CD2 3.45Å; V632-F636 PolarHBondContact O-N 3.35Å
633E85.2Confident85.2Confident67 Ų6746.9 Ų46.931%0.31324%0.24SC..Hα-helixtrans-55.8-44.9178.5-82.1178.3165.900112.6R572 Y573 N629 A637R572-E633 IonicContact CZ-OE1 3.76Å; R572-E633 IonicContact NE-OE1 3.32Å; R572-E633 PolarHBondContact NE-OE1 3.4Å; R572-E633 IonicContact NH2-OE1 2.72Å; R572-E633 PolarHBondContact NH2-OE1 2.83Å; R572-E633 IonicContact NH2-OE2 2.67Å; Y573-E633 HydrophobicContact CE1-CG 3.79Å; Y573-E633 PolarHBondContact OH-OE1 2.76Å; N629-E633 WeakPolarHBondContact O-CB 3.42Å; N629-E633 WeakPolarHBondContact O-CG 2.97Å; N629-E633 PolarHBondContact O-N 3.31Å; E633-A637 WeakPolarHBondContact O-CB 3.24Å; E633-A637 PolarHBondContact O-N 3.45Å
634Y87.1Confident84.6Confident16 Ų1646.7 Ų46.76%0.06324%0.239CC..Hα-helixtrans-61.6-52.1-179.2178-99.9000112.2Q630 T631 V632 A637 L638 F652 W659Q630-Y634 WeakPolarHBondContact O-CB 3.48Å; Q630-Y634 PolarHBondContact O-N 3.2Å; T631-Y634 PolarHBondContact O-N 3.5Å; V632-Y634 VanDerWaalsContact C-N 3.3Å; V632-Y634 PolarHBondContact O-N 2.93Å; Y634-A637 PolarHBondContact O-N 2.8Å; Y634-L638 HydrophobicContact CE1-CD2 4.13Å; Y634-L638 WeakPolarHBondContact O-CB 3.3Å; Y634-L638 PolarHBondContact O-N 3.16Å; Y634-F652 AromaticContact CD2-CE1 3.84Å; Y634-F652 HydrophobicContact CD2-CE1 3.84Å; Y634-F652 HydrophobicContact CD2-CZ 4.23Å; Y634-F652 HydrophobicContact CE2-CD1 4.13Å; Y634-F652 AromaticContact CE2-CE1 3.4Å; Y634-F652 HydrophobicContact CE2-CE1 3.4Å; Y634-F652 VanDerWaalsContact CE2-CE1 3.4Å; Y634-F652 HydrophobicContact CE2-CZ 4.19Å; Y634-F652 AromaticContact CZ-CE1 3.89Å; Y634-W659 HydrophobicContact CD1-CD2 4.31Å; Y634-W659 HydrophobicContact CD1-CE3 4.08Å; Y634-W659 AromaticContact CD2-CD2 3.88Å; Y634-W659 HydrophobicContact CD2-CD2 3.88Å; Y634-W659 AromaticContact CD2-CE2 3.94Å; Y634-W659 AromaticContact CD2-CE3 3.57Å; Y634-W659 HydrophobicContact CD2-CE3 3.57Å; Y634-W659 AromaticContact CD2-CH2 3.44Å; Y634-W659 HydrophobicContact CD2-CH2 3.44Å; Y634-W659 VanDerWaalsContact CD2-CH2 3.44Å; Y634-W659 AromaticContact CD2-CZ2 3.75Å; Y634-W659 HydrophobicContact CD2-CZ2 3.75Å; Y634-W659 AromaticContact CD2-CZ3 3.34Å; Y634-W659 HydrophobicContact CD2-CZ3 3.34Å; Y634-W659 HydrophobicContact CE1-CD2 4.24Å; Y634-W659 HydrophobicContact CE1-CE3 4.47Å; Y634-W659 HydrophobicContact CE1-CG 4.31Å; Y634-W659 AromaticContact CE2-CD2 3.79Å; Y634-W659 HydrophobicContact CE2-CD2 3.79Å; Y634-W659 AromaticContact CE2-CE2 3.55Å; Y634-W659 AromaticContact CE2-CE3 4Å; Y634-W659 HydrophobicContact CE2-CE3 4Å; Y634-W659 HydrophobicContact CE2-CG 4.48Å; Y634-W659 AromaticContact CE2-CH2 3.81Å; Y634-W659 HydrophobicContact CE2-CH2 3.81Å; Y634-W659 AromaticContact CE2-CZ2 3.58Å; Y634-W659 HydrophobicContact CE2-CZ2 3.58Å; Y634-W659 HydrophobicContact CE2-CZ3 4.01Å; Y634-W659 HydrophobicContact CG-CD2 4.13Å; Y634-W659 AromaticContact CG-CE3 3.6Å; Y634-W659 HydrophobicContact CG-CE3 3.6Å; Y634-W659 HydrophobicContact CG-CH2 4.25Å; Y634-W659 AromaticContact CG-CZ3 3.68Å; Y634-W659 HydrophobicContact CG-CZ3 3.68Å; Y634-W659 AromaticContact CZ-CD2 3.99Å; Y634-W659 AromaticContact CZ-CE2 3.99Å
635Y88.6Confident84Confident5 Ų546 Ų462%0.0223%0.228CC..Hα-helixtrans-73.7-31.3-175.9-72.3-65.7000113.3F615 T631 V632 L638 E639 L660 P662 L667 L671 W674F615-Y635 HydrophobicContact CD1-CD2 4.09Å; F615-Y635 HydrophobicContact CD1-CG 4.26Å; F615-Y635 AromaticContact CE1-CD2 3.63Å; F615-Y635 HydrophobicContact CE1-CD2 3.63Å; F615-Y635 HydrophobicContact CE1-CG 4.06Å; F615-Y635 HydrophobicContact CZ-CD2 4.38Å; T631-Y635 HydrophobicContact CG2-CD2 3.76Å; T631-Y635 HydrophobicContact CG2-CE2 3.6Å; T631-Y635 VanDerWaalsContact O-CD2 3.24Å; T631-Y635 WeakPolarHBondContact O-CD2 3.46Å; T631-Y635 PolarHBondContact O-N 2.96Å; T631-Y635 VanDerWaalsContact O-N 3.16Å; V632-Y635 PolarHBondContact O-N 2.88Å; Y635-L638 HydrophobicContact CD1-CD2 4.29Å; Y635-L638 PolarHBondContact O-N 3.32Å; Y635-E639 WeakPolarHBondContact O-CB 3.31Å; Y635-E639 PolarHBondContact O-N 3.45Å; Y635-L660 VanDerWaalsContact CE2-O 3.28Å; Y635-L660 WeakPolarHBondContact CE2-O 3.48Å; Y635-L660 PolarHBondContact OH-O 3.13Å; Y635-P662 HydrophobicContact CD2-CG 4.44Å; Y635-P662 VanDerWaalsContact CE2-CD 3.47Å; Y635-P662 HydrophobicContact CE2-CG 4.04Å; Y635-L667 HydrophobicContact CD1-CD1 3.83Å; Y635-L667 HydrophobicContact CD1-CD2 4.41Å; Y635-L667 HydrophobicContact CD2-CD2 4.32Å; Y635-L667 HydrophobicContact CE1-CD1 4.11Å; Y635-L667 HydrophobicContact CE1-CD2 4.17Å; Y635-L667 HydrophobicContact CE2-CD2 4.08Å; Y635-L667 HydrophobicContact CG-CD1 4.25Å; Y635-L667 HydrophobicContact CG-CD2 4.5Å; Y635-L671 HydrophobicContact CE1-CD2 3.95Å; Y635-W674 HydrophobicContact CD1-CZ3 4.44Å
636F86.3Confident83.3Confident69 Ų6944.5 Ų44.530%0.30322%0.222SC..Hα-helixtrans-65.7-44.1170.6-89.1-99.6000111.5L576 C614 F617 V632 L638 E639 R640L576-F636 HydrophobicContact CD1-CE1 3.96Å; L576-F636 HydrophobicContact CD1-CZ 4.22Å; C614-F636 HydrophobicContact CB-CD2 4.45Å; C614-F636 HydrophobicContact CB-CE2 4.14Å; C614-F636 HydrophobicContact CB-CZ 4.49Å; C614-F636 WeakPolarHBondContact SG-CD2 3.09Å; C614-F636 WeakPolarHBondContact SG-CE2 3.29Å; F617-F636 AromaticContact CE1-CE2 3.74Å; F617-F636 HydrophobicContact CE1-CE2 3.74Å; F617-F636 HydrophobicContact CE1-CZ 4.46Å; F617-F636 HydrophobicContact CZ-CD2 4.45Å; F617-F636 AromaticContact CZ-CE2 3.38Å; F617-F636 HydrophobicContact CZ-CE2 3.38Å; F617-F636 AromaticContact CZ-CZ 3.84Å; F617-F636 HydrophobicContact CZ-CZ 3.84Å; V632-F636 HydrophobicContact CG1-CD2 3.74Å; V632-F636 HydrophobicContact CG1-CE2 3.93Å; V632-F636 WeakPolarHBondContact O-CB 3.43Å; V632-F636 VanDerWaalsContact O-CD2 3.28Å; V632-F636 WeakPolarHBondContact O-CD2 3.45Å; V632-F636 PolarHBondContact O-N 3.35Å; F636-L638 VanDerWaalsContact C-N 3.31Å; F636-L638 PolarHBondContact O-N 3.13Å; F636-E639 PolarHBondContact O-N 3.4Å; F636-R640 VanDerWaalsContact O-CB 3.3Å; F636-R640 WeakPolarHBondContact O-CB 3.18Å; F636-R640 PolarHBondContact O-N 3.01Å
637A84.8Confident82.4Confident41 Ų4143.4 Ų43.434%0.33921%0.205SC..Hα-helixtrans-63-39.9175.100000111.4E633 Y634 C641 F652E633-A637 WeakPolarHBondContact O-CB 3.24Å; E633-A637 PolarHBondContact O-N 3.45Å; Y634-A637 PolarHBondContact O-N 2.8Å; A637-C641 WeakPolarHBondContact O-CB 3.16Å; A637-C641 PolarHBondContact O-N 3.22Å; A637-F652 HydrophobicContact CB-CE2 4.11Å; A637-F652 HydrophobicContact CB-CZ 3.76Å
638L85.4Confident81.8Confident0 Ų045.1 Ų45.10%021%0.208CC..Hα-helixtrans-65.5-46.5176.317956.3000112Y634 Y635 F636 R640 C641 C642 F652 L653 L671 W674Y634-L638 HydrophobicContact CE1-CD2 4.13Å; Y634-L638 WeakPolarHBondContact O-CB 3.3Å; Y634-L638 PolarHBondContact O-N 3.16Å; Y635-L638 HydrophobicContact CD1-CD2 4.29Å; Y635-L638 PolarHBondContact O-N 3.32Å; F636-L638 VanDerWaalsContact C-N 3.31Å; F636-L638 PolarHBondContact O-N 3.13Å; L638-R640 PolarHBondContact O-N 2.93Å; L638-C641 WeakPolarHBondContact O-CB 3.2Å; L638-C641 PolarHBondContact O-N 3.08Å; L638-C642 WeakPolarHBondContact O-CB 3.33Å; L638-C642 PolarHBondContact O-N 3.2Å; L638-C642 PolarHBondContact O-SG 3.07Å; L638-F652 HydrophobicContact CB-CD1 4.21Å; L638-F652 HydrophobicContact CB-CE1 3.74Å; L638-F652 HydrophobicContact CB-CZ 4.4Å; L638-F652 HydrophobicContact CD1-CD1 3.67Å; L638-F652 HydrophobicContact CD1-CE1 4.11Å; L638-F652 HydrophobicContact CD1-CG 4.39Å; L638-F652 HydrophobicContact CG-CD1 4.45Å; L638-F652 HydrophobicContact CG-CE1 4.43Å; L638-L653 HydrophobicContact CD1-CD2 3.69Å; L638-L653 HydrophobicContact CD1-CG 4.19Å; L638-L653 HydrophobicContact CD2-CD2 3.86Å; L638-L653 HydrophobicContact CG-CD2 4.45Å; L638-L671 HydrophobicContact CD2-CD2 4.49Å; L638-W674 HydrophobicContact CD2-CD2 4.48Å; L638-W674 HydrophobicContact CD2-CE3 3.52Å; L638-W674 HydrophobicContact CD2-CZ3 3.55Å; L638-W674 HydrophobicContact CG-CD2 4.44Å; L638-W674 HydrophobicContact CG-CE3 3.85Å; L638-W674 HydrophobicContact CG-CH2 4.39Å; L638-W674 HydrophobicContact CG-CZ3 3.83Å
639E86.5Confident81.4Confident34 Ų3445.2 Ų45.216%0.15921%0.209CC..Hα-helixtrans-63.1-43.4178.2179.2156.7-160.300111.3C614 Y635 F636 C641 C642 R643 K670 W674C614-E639 WeakPolarHBondContact CA-OE2 3.45Å; C614-E639 WeakPolarHBondContact CB-OE2 3.43Å; Y635-E639 WeakPolarHBondContact O-CB 3.31Å; Y635-E639 PolarHBondContact O-N 3.45Å; F636-E639 PolarHBondContact O-N 3.4Å; E639-C641 VanDerWaalsContact C-N 3.33Å; E639-C641 PolarHBondContact O-N 3.26Å; E639-C642 PolarHBondContact O-N 2.79Å; E639-R643 WeakPolarHBondContact O-CB 3.48Å; E639-R643 PolarHBondContact O-N 3.03Å; E639-R643 IonicContact OE1-NH2 3.22Å; E639-R643 PolarHBondContact OE1-NH2 3.15Å; E639-K670 IonicContact OE1-NZ 3.82Å; E639-K670 PolarHBondContact OE1-NZ 2.8Å; E639-K670 IonicContact OE2-NZ 2.67Å; E639-K670 PolarHBondContact OE2-NZ 3.05Å; E639-W674 HydrophobicContact CB-CH2 4.06Å; E639-W674 HydrophobicContact CB-CZ2 3.97Å; E639-W674 HydrophobicContact CG-CZ2 4.25Å
640R82.8Confident81.1Confident167 Ų16747.1 Ų47.163%0.6322%0.222SC*.Hα-helixtrans-62.1-41.5173.5-170.6-177.2175.5170.60.7111.4F636 L638 R643 Y644F636-R640 VanDerWaalsContact O-CB 3.3Å; F636-R640 WeakPolarHBondContact O-CB 3.18Å; F636-R640 PolarHBondContact O-N 3.01Å; L638-R640 PolarHBondContact O-N 2.93Å; R640-R643 PolarHBondContact O-N 3.3Å; R640-Y644 HydrophobicContact CB-CD2 4.44Å; R640-Y644 HydrophobicContact CG-CD2 3.62Å; R640-Y644 HydrophobicContact CG-CE2 4.13Å; R640-Y644 WeakPolarHBondContact O-CD2 3.47Å; R640-Y644 PolarHBondContact O-N 3.4Å
641C81.7Confident80.7Confident10 Ų1045.8 Ų45.87%0.06823%0.227CC..Hα-helixtrans-62.8-46.7176.3-178.40000110.9A637 L638 E639 R643 H645 F652A637-C641 WeakPolarHBondContact O-CB 3.16Å; A637-C641 PolarHBondContact O-N 3.22Å; L638-C641 WeakPolarHBondContact O-CB 3.2Å; L638-C641 PolarHBondContact O-N 3.08Å; E639-C641 VanDerWaalsContact C-N 3.33Å; E639-C641 PolarHBondContact O-N 3.26Å; C641-R643 VanDerWaalsContact C-N 3.3Å; C641-R643 PolarHBondContact O-N 2.87Å; C641-H645 CarbonylContact O-C 3.54Å; C641-H645 WeakPolarHBondContact O-CA 3.5Å; C641-H645 PolarHBondContact O-N 3.09Å; C641-H645 PolarHBondContact SG-O 3.46Å; C641-F652 HydrophobicContact CB-CD2 4.4Å
642C81.9Confident80.4Confident18 Ų1847.3 Ų47.312%0.12223%0.233CC..Hα-helixtrans-62.4-36.8177.3-65.70000112.7L638 E639 V649L638-C642 WeakPolarHBondContact O-CB 3.33Å; L638-C642 PolarHBondContact O-N 3.2Å; L638-C642 PolarHBondContact O-SG 3.07Å; E639-C642 PolarHBondContact O-N 2.79Å; C642-V649 HydrophobicContact CB-CG2 4.26Å
643R76.5Confident80.2Confident54 Ų5447.6 Ų47.620%0.20423%0.234CC..Hα-helixtrans-77.4-51.3-178.4-170173-65.6169.95.1112.3P316 M317 E639 R640 C641P316-R643 WeakPolarHBondContact CA-O 3.42Å; P316-R643 HydrophobicContact CB-CG 3.8Å; P316-R643 VanDerWaalsContact CB-O 3.32Å; P316-R643 WeakPolarHBondContact CB-O 3.39Å; M317-R643 PolarHBondContact N-O 2.81Å; E639-R643 WeakPolarHBondContact O-CB 3.48Å; E639-R643 PolarHBondContact O-N 3.03Å; E639-R643 IonicContact OE1-NH2 3.22Å; E639-R643 PolarHBondContact OE1-NH2 3.15Å; R640-R643 PolarHBondContact O-N 3.3Å; C641-R643 VanDerWaalsContact C-N 3.3Å; C641-R643 PolarHBondContact O-N 2.87Å
644Y75.6Confident80Confident86 Ų8647.9 Ų47.934%0.33725%0.248SC..Hα-helixtrans-109.6-13.1-167.9-55.4-75.8000114.5P314 P316 R640P314-Y644 VanDerWaalsContact CG-O 3.28Å; P314-Y644 WeakPolarHBondContact CG-O 3.46Å; P316-Y644 HydrophobicContact CB-CD1 4.14Å; P316-Y644 HydrophobicContact CB-CE1 4.24Å; P316-Y644 HydrophobicContact CG-CE1 4.46Å; R640-Y644 HydrophobicContact CB-CD2 4.44Å; R640-Y644 HydrophobicContact CG-CD2 3.62Å; R640-Y644 HydrophobicContact CG-CE2 4.13Å; R640-Y644 WeakPolarHBondContact O-CD2 3.47Å; R640-Y644 PolarHBondContact O-N 3.4Å
645H74.2Confident79.6Confident79 Ų7950.3 Ų50.337%0.36626%0.261SS..  trans-138.355.2-174.6-62.1-62.9000111.3C641 D647 Y648C641-H645 CarbonylContact O-C 3.54Å; C641-H645 WeakPolarHBondContact O-CA 3.5Å; C641-H645 PolarHBondContact O-N 3.09Å; C641-H645 PolarHBondContact SG-O 3.46Å; H645-D647 PolarHBondContact O-N 3.38Å; H645-D647 VanDerWaalsContact O-N 3.12Å; H645-Y648 HydrophobicContact CB-CD2 3.88Å; H645-Y648 PolarHBondContact O-N 2.75Å
646P68.8Low78.9Confident23 Ų2359.5 Ų59.515%0.14930%0.304CS..G310 helixtrans-55.7-33.4-174.423.1-34.3000112.7M317 Y648 V649M317-P646 HydrophobicContact CE-CB 4.37Å; M317-P646 HydrophobicContact CG-CB 4.2Å; M317-P646 HydrophobicContact CG-CG 4.2Å; P646-Y648 PolarHBondContact O-N 3.47Å; P646-Y648 VanDerWaalsContact O-N 3.08Å; P646-V649 WeakPolarHBondContact O-CB 3.48Å; P646-V649 WeakPolarHBondContact O-CG2 3.41Å; P646-V649 PolarHBondContact O-N 2.88Å
647D66.5Low78.1Confident52 Ų5258 Ų5828%0.27831%0.308SS..G310 helixtrans-59.8-20.7178.4-57.2-24.3000113.3H392 H645H392-D647 IonicContact NE2-OD2 3.69Å; H645-D647 PolarHBondContact O-N 3.38Å; H645-D647 VanDerWaalsContact O-N 3.12Å
648Y74.1Confident77.5Confident89 Ų8962 Ų6235%0.34933%0.331SS..G310 helixtrans-101.1-8-179.8-64.6-85.2000113.6H645 P646 T650 A651 F652H645-Y648 HydrophobicContact CB-CD2 3.88Å; H645-Y648 PolarHBondContact O-N 2.75Å; P646-Y648 PolarHBondContact O-N 3.47Å; P646-Y648 VanDerWaalsContact O-N 3.08Å; Y648-T650 VanDerWaalsContact C-N 3.35Å; Y648-T650 PolarHBondContact O-N 2.95Å; Y648-A651 PolarHBondContact O-N 3.46Å; Y648-A651 VanDerWaalsContact O-N 3.14Å; Y648-F652 WeakPolarHBondContact O-CB 3.5Å; Y648-F652 PolarHBondContact O-N 3.32Å
649V77.6Confident77.3Confident8 Ų865.9 Ų65.95%0.04835%0.345CS..Hα-helixtrans-60.1-44.8-173.91760000111.3C642 P646 A651 F652 L653 V678C642-V649 HydrophobicContact CB-CG2 4.26Å; P646-V649 WeakPolarHBondContact O-CB 3.48Å; P646-V649 WeakPolarHBondContact O-CG2 3.41Å; P646-V649 PolarHBondContact O-N 2.88Å; V649-A651 VanDerWaalsContact C-N 3.32Å; V649-A651 PolarHBondContact O-N 2.96Å; V649-F652 PolarHBondContact O-N 3.05Å; V649-L653 HydrophobicContact CG1-CD1 3.7Å; V649-L653 HydrophobicContact CG1-CG 4.12Å; V649-L653 WeakPolarHBondContact O-CB 3.31Å; V649-L653 WeakPolarHBondContact O-CG 3.48Å; V649-L653 PolarHBondContact O-N 3.28Å; V649-V678 HydrophobicContact CB-CG1 4.31Å; V649-V678 HydrophobicContact CG1-CG1 3.77Å
650T79Confident77.1Confident66 Ų6665.8 Ų65.841%0.40535%0.346SS..Hα-helixtrans-58.8-43.9177.6-56.60000111.7Y648 A654 V678Y648-T650 VanDerWaalsContact C-N 3.35Å; Y648-T650 PolarHBondContact O-N 2.95Å; T650-A654 VanDerWaalsContact O-CB 3.24Å; T650-A654 WeakPolarHBondContact O-CB 3.49Å; T650-A654 PolarHBondContact O-N 2.81Å; T650-A654 VanDerWaalsContact O-N 3.12Å; T650-V678 VanDerWaalsContact OG1-CG1 3.32Å; T650-V678 WeakPolarHBondContact OG1-CG1 3.13Å
651A78.5Confident77.3Confident65 Ų6561.7 Ų61.754%0.53734%0.335SS..Hα-helixtrans-69.5-37.1178.200000112.1Y648 V649 A654 M655Y648-A651 PolarHBondContact O-N 3.46Å; Y648-A651 VanDerWaalsContact O-N 3.14Å; V649-A651 VanDerWaalsContact C-N 3.32Å; V649-A651 PolarHBondContact O-N 2.96Å; A651-A654 PolarHBondContact O-N 2.8Å; A651-M655 PolarHBondContact O-N 3.1Å
652F79.5Confident77.7Confident38 Ų3861.3 Ų61.317%0.16733%0.333CS..Hα-helixtrans-68.1-45.8179.1-160.6-74.8000111.5Y634 A637 L638 C641 Y648 V649 A654 M655Y634-F652 AromaticContact CD2-CE1 3.84Å; Y634-F652 HydrophobicContact CD2-CE1 3.84Å; Y634-F652 HydrophobicContact CD2-CZ 4.23Å; Y634-F652 HydrophobicContact CE2-CD1 4.13Å; Y634-F652 AromaticContact CE2-CE1 3.4Å; Y634-F652 HydrophobicContact CE2-CE1 3.4Å; Y634-F652 VanDerWaalsContact CE2-CE1 3.4Å; Y634-F652 HydrophobicContact CE2-CZ 4.19Å; Y634-F652 AromaticContact CZ-CE1 3.89Å; A637-F652 HydrophobicContact CB-CE2 4.11Å; A637-F652 HydrophobicContact CB-CZ 3.76Å; L638-F652 HydrophobicContact CB-CD1 4.21Å; L638-F652 HydrophobicContact CB-CE1 3.74Å; L638-F652 HydrophobicContact CB-CZ 4.4Å; L638-F652 HydrophobicContact CD1-CD1 3.67Å; L638-F652 HydrophobicContact CD1-CE1 4.11Å; L638-F652 HydrophobicContact CD1-CG 4.39Å; L638-F652 HydrophobicContact CG-CD1 4.45Å; L638-F652 HydrophobicContact CG-CE1 4.43Å; C641-F652 HydrophobicContact CB-CD2 4.4Å; Y648-F652 WeakPolarHBondContact O-CB 3.5Å; Y648-F652 PolarHBondContact O-N 3.32Å; V649-F652 PolarHBondContact O-N 3.05Å; F652-A654 VanDerWaalsContact C-N 3.25Å; F652-A654 PolarHBondContact O-N 2.78Å; F652-M655 HydrophobicContact CD2-SD 4.48Å; F652-M655 VanDerWaalsContact O-CB 3.31Å; F652-M655 WeakPolarHBondContact O-CB 3.46Å; F652-M655 WeakPolarHBondContact O-CG 3.36Å; F652-M655 PolarHBondContact O-N 3.34Å
653L82.8Confident77.9Confident13 Ų1367.3 Ų67.37%0.06836%0.364CS..Hα-helixtrans-69-23.3177-69.6177.8000113L638 V649 M655 W674 Y675 V678L638-L653 HydrophobicContact CD1-CD2 3.69Å; L638-L653 HydrophobicContact CD1-CG 4.19Å; L638-L653 HydrophobicContact CD2-CD2 3.86Å; L638-L653 HydrophobicContact CG-CD2 4.45Å; V649-L653 HydrophobicContact CG1-CD1 3.7Å; V649-L653 HydrophobicContact CG1-CG 4.12Å; V649-L653 WeakPolarHBondContact O-CB 3.31Å; V649-L653 WeakPolarHBondContact O-CG 3.48Å; V649-L653 PolarHBondContact O-N 3.28Å; L653-M655 VanDerWaalsContact C-N 3.29Å; L653-W674 HydrophobicContact CD1-CB 4.34Å; L653-Y675 HydrophobicContact CB-CE1 4.01Å; L653-Y675 HydrophobicContact CD1-CD1 4.17Å; L653-Y675 HydrophobicContact CD1-CE1 4.25Å; L653-Y675 HydrophobicContact CD2-CE1 4.07Å; L653-Y675 HydrophobicContact CD2-CE2 4.08Å; L653-Y675 HydrophobicContact CG-CE1 4.34Å; L653-V678 HydrophobicContact CD1-CG1 4.31Å; L653-V678 HydrophobicContact CD1-CG2 3.7Å
654A82.3Confident78.6Confident73 Ų7365.9 Ų65.960%0.60336%0.36SS*.THydrogen-bonded Turntrans-81.2-2.7174.300000113.8T650 A651 F652 E656T650-A654 VanDerWaalsContact O-CB 3.24Å; T650-A654 WeakPolarHBondContact O-CB 3.49Å; T650-A654 PolarHBondContact O-N 2.81Å; T650-A654 VanDerWaalsContact O-N 3.12Å; A651-A654 PolarHBondContact O-N 2.8Å; F652-A654 VanDerWaalsContact C-N 3.25Å; F652-A654 PolarHBondContact O-N 2.78Å; A654-E656 PolarHBondContact O-N 2.93Å
655M78Confident79.1Confident67 Ų6764.4 Ų64.433%0.3337%0.366SS..  trans-65.3116.2177.1-71-179.159.400111.2A651 F652 L653 G657 W659A651-M655 PolarHBondContact O-N 3.1Å; F652-M655 HydrophobicContact CD2-SD 4.48Å; F652-M655 VanDerWaalsContact O-CB 3.31Å; F652-M655 WeakPolarHBondContact O-CB 3.46Å; F652-M655 WeakPolarHBondContact O-CG 3.36Å; F652-M655 PolarHBondContact O-N 3.34Å; L653-M655 VanDerWaalsContact C-N 3.29Å; M655-G657 PolarHBondContact O-N 2.71Å; M655-W659 PolarHBondContact O-NE1 3.17Å
656E73.2Confident79.8Confident198 Ų19868.1 Ų68.193%0.92538%0.381SS*.  trans-69.4125.8174.5-63.4-174.617700110.6A654A654-E656 PolarHBondContact O-N 2.93Å
657G71.3Confident80.9Confident38 Ų3867 Ų6739%0.39237%0.374SS..SBendtrans-178153.3177.500000112.8M655 W659M655-G657 PolarHBondContact O-N 2.71Å; G657-W659 PolarHBondContact O-N 3.19Å; G657-W659 VanDerWaalsContact O-N 3.1Å; G657-W659 PolarHBondContact O-NE1 3.25Å
658P72.5Confident82.1Confident124 Ų12466 Ų6681%0.80537%0.367SS*.  trans-75.694.5171.231.1-32000109.3
659W79.9Confident82.9Confident81 Ų8164.7 Ų64.731%0.30736%0.361SS..  trans-94.2129.2177.8-54.2113.3000110.5Y634 M655 G657Y634-W659 HydrophobicContact CD1-CD2 4.31Å; Y634-W659 HydrophobicContact CD1-CE3 4.08Å; Y634-W659 AromaticContact CD2-CD2 3.88Å; Y634-W659 HydrophobicContact CD2-CD2 3.88Å; Y634-W659 AromaticContact CD2-CE2 3.94Å; Y634-W659 AromaticContact CD2-CE3 3.57Å; Y634-W659 HydrophobicContact CD2-CE3 3.57Å; Y634-W659 AromaticContact CD2-CH2 3.44Å; Y634-W659 HydrophobicContact CD2-CH2 3.44Å; Y634-W659 VanDerWaalsContact CD2-CH2 3.44Å; Y634-W659 AromaticContact CD2-CZ2 3.75Å; Y634-W659 HydrophobicContact CD2-CZ2 3.75Å; Y634-W659 AromaticContact CD2-CZ3 3.34Å; Y634-W659 HydrophobicContact CD2-CZ3 3.34Å; Y634-W659 HydrophobicContact CE1-CD2 4.24Å; Y634-W659 HydrophobicContact CE1-CE3 4.47Å; Y634-W659 HydrophobicContact CE1-CG 4.31Å; Y634-W659 AromaticContact CE2-CD2 3.79Å; Y634-W659 HydrophobicContact CE2-CD2 3.79Å; Y634-W659 AromaticContact CE2-CE2 3.55Å; Y634-W659 AromaticContact CE2-CE3 4Å; Y634-W659 HydrophobicContact CE2-CE3 4Å; Y634-W659 HydrophobicContact CE2-CG 4.48Å; Y634-W659 AromaticContact CE2-CH2 3.81Å; Y634-W659 HydrophobicContact CE2-CH2 3.81Å; Y634-W659 AromaticContact CE2-CZ2 3.58Å; Y634-W659 HydrophobicContact CE2-CZ2 3.58Å; Y634-W659 HydrophobicContact CE2-CZ3 4.01Å; Y634-W659 HydrophobicContact CG-CD2 4.13Å; Y634-W659 AromaticContact CG-CE3 3.6Å; Y634-W659 HydrophobicContact CG-CE3 3.6Å; Y634-W659 HydrophobicContact CG-CH2 4.25Å; Y634-W659 AromaticContact CG-CZ3 3.68Å; Y634-W659 HydrophobicContact CG-CZ3 3.68Å; Y634-W659 AromaticContact CZ-CD2 3.99Å; Y634-W659 AromaticContact CZ-CE2 3.99Å; M655-W659 PolarHBondContact O-NE1 3.17Å; G657-W659 PolarHBondContact O-N 3.19Å; G657-W659 VanDerWaalsContact O-N 3.1Å; G657-W659 PolarHBondContact O-NE1 3.25Å
660L82.9Confident83.6Confident33 Ų3366.4 Ų66.417%0.17337%0.368CS..  trans-73.3133.3168.9-178.466.3000108.3L620 Y623 L627 T631 Y635 P662L620-L660 HydrophobicContact CD2-CD2 3.56Å; Y623-L660 HydrophobicContact CD1-CD2 4.3Å; Y623-L660 HydrophobicContact CD2-CD2 3.82Å; Y623-L660 HydrophobicContact CE1-CD1 4.06Å; Y623-L660 HydrophobicContact CE1-CD2 4.33Å; Y623-L660 HydrophobicContact CE2-CD1 4.33Å; Y623-L660 HydrophobicContact CE2-CD2 3.86Å; Y623-L660 HydrophobicContact CG-CD2 4.04Å; L627-L660 HydrophobicContact CD2-CD2 4.24Å; L627-L660 HydrophobicContact CG-CD2 4.29Å; T631-L660 HydrophobicContact CG2-CB 4.22Å; T631-L660 HydrophobicContact CG2-CD2 4.48Å; Y635-L660 VanDerWaalsContact CE2-O 3.28Å; Y635-L660 WeakPolarHBondContact CE2-O 3.48Å; Y635-L660 PolarHBondContact OH-O 3.13Å; L660-P662 VanDerWaalsContact O-CD 3.28Å; L660-P662 WeakPolarHBondContact O-CD 3.17Å
661I86.9Confident84.2Confident80 Ų8063.6 Ų63.641%0.4135%0.351SS..  trans-102.8105.6170.3-57177.4000107.2L671I661-L671 HydrophobicContact CG2-CD1 3.97Å
662P89.3Confident84.9Confident3 Ų360.5 Ų60.52%0.01933%0.325CS..  trans-50.8135.1169.5-28.333.2000111.7F615 S619 L620 T631 Y635 L660 D664 L667 H668F615-P662 HydrophobicContact CD1-CG 4.2Å; F615-P662 HydrophobicContact CD2-CB 3.6Å; F615-P662 HydrophobicContact CD2-CG 3.56Å; F615-P662 HydrophobicContact CE1-CG 4.18Å; F615-P662 HydrophobicContact CE2-CB 3.97Å; F615-P662 HydrophobicContact CE2-CG 3.51Å; F615-P662 HydrophobicContact CG-CB 4.1Å; F615-P662 HydrophobicContact CG-CG 3.95Å; F615-P662 HydrophobicContact CZ-CG 3.86Å; S619-P662 WeakPolarHBondContact OG-CB 3.48Å; L620-P662 HydrophobicContact CD2-CG 4.17Å; T631-P662 HydrophobicContact CG2-CG 3.97Å; Y635-P662 HydrophobicContact CD2-CG 4.44Å; Y635-P662 VanDerWaalsContact CE2-CD 3.47Å; Y635-P662 HydrophobicContact CE2-CG 4.04Å; L660-P662 VanDerWaalsContact O-CD 3.28Å; L660-P662 WeakPolarHBondContact O-CD 3.17Å; P662-D664 PolarHBondContact O-N 3.11Å; P662-L667 HydrophobicContact CB-CD2 3.8Å; P662-L667 HydrophobicContact CG-CD2 3.62Å; P662-H668 PolarHBondContact O-NE2 2.86Å; P662-H668 VanDerWaalsContact O-NE2 3.14Å
663D87.1Confident85.4Confident144 Ų14460.7 Ų60.777%0.7733%0.325SS*.SBendtrans-75.173.6174.3-171.422.7000110.2H668D663-H668 IonicContact OD1-CE1 2.73Å
664D90.2Very high85.7Confident24 Ų2461.3 Ų61.313%0.12833%0.326CS..  trans-132.3119.2179.7173.255.3000110.1F615 P662 K666 L667 H668F615-D664 WeakPolarHBondContact CA-OD2 3.48Å; F615-D664 HydrophobicContact CB-CB 4.1Å; P662-D664 PolarHBondContact O-N 3.11Å; D664-K666 PolarHBondContact O-N 3.13Å; D664-K666 WeakPolarHBondContact OD2-CB 3.33Å; D664-K666 PolarHBondContact OD2-N 2.93Å; D664-L667 HydrophobicContact CB-CB 4.09Å; D664-L667 PolarHBondContact O-N 2.82Å; D664-L667 WeakPolarHBondContact OD2-CB 3.47Å; D664-L667 PolarHBondContact OD2-N 3.33Å; D664-H668 WeakPolarHBondContact O-CB 3.38Å; D664-H668 PolarHBondContact O-N 3.38Å; D664-H668 PolarHBondContact O-ND1 2.91Å
665A87.7Confident86.1Confident54 Ų5459.2 Ų59.245%0.44630%0.303SS..Hα-helixtrans-61.3-31-177.500000112.8R669A665-R669 WeakPolarHBondContact O-CG 3.26Å; A665-R669 PolarHBondContact O-N 3.48Å; A665-R669 VanDerWaalsContact O-N 3.1Å
666K88Confident86.7Confident157 Ų15756.2 Ų56.268%0.68329%0.288SS*.Hα-helixtrans-69.6-46.3177.4-64.8178.6179.6177.50110.9D664 R669 K670D664-K666 PolarHBondContact O-N 3.13Å; D664-K666 WeakPolarHBondContact OD2-CB 3.33Å; D664-K666 PolarHBondContact OD2-N 2.93Å; K666-R669 PolarHBondContact O-N 2.91Å; K666-K670 PolarHBondContact O-N 2.84Å
667L91.5Very high87.3Confident0 Ų050 Ų500%027%0.267CS..Hα-helixtrans-60.1-46.9174.7-174.960.9000111.8F615 Y635 P662 D664 R669 K670 L671 W674F615-L667 HydrophobicContact CB-CB 3.75Å; F615-L667 HydrophobicContact CB-CD1 4.34Å; F615-L667 HydrophobicContact CB-CD2 3.86Å; F615-L667 HydrophobicContact CB-CG 4.18Å; F615-L667 HydrophobicContact CD1-CD1 4.35Å; F615-L667 HydrophobicContact CD1-CD2 3.96Å; F615-L667 HydrophobicContact CG-CD2 3.96Å; Y635-L667 HydrophobicContact CD1-CD1 3.83Å; Y635-L667 HydrophobicContact CD1-CD2 4.41Å; Y635-L667 HydrophobicContact CD2-CD2 4.32Å; Y635-L667 HydrophobicContact CE1-CD1 4.11Å; Y635-L667 HydrophobicContact CE1-CD2 4.17Å; Y635-L667 HydrophobicContact CE2-CD2 4.08Å; Y635-L667 HydrophobicContact CG-CD1 4.25Å; Y635-L667 HydrophobicContact CG-CD2 4.5Å; P662-L667 HydrophobicContact CB-CD2 3.8Å; P662-L667 HydrophobicContact CG-CD2 3.62Å; D664-L667 HydrophobicContact CB-CB 4.09Å; D664-L667 PolarHBondContact O-N 2.82Å; D664-L667 WeakPolarHBondContact OD2-CB 3.47Å; D664-L667 PolarHBondContact OD2-N 3.33Å; L667-R669 VanDerWaalsContact C-N 3.26Å; L667-R669 PolarHBondContact O-N 2.86Å; L667-K670 CarbonylContact O-C 3.45Å; L667-K670 WeakPolarHBondContact O-CA 3.21Å; L667-K670 WeakPolarHBondContact O-CB 3.31Å; L667-K670 PolarHBondContact O-N 3.15Å; L667-L671 HydrophobicContact CG-CD1 4.25Å; L667-L671 HydrophobicContact CG-CG 4.39Å; L667-L671 WeakPolarHBondContact O-CG 3.2Å; L667-L671 PolarHBondContact O-N 3.01Å; L667-W674 HydrophobicContact CD1-CZ3 4.36Å
668H92.3Very high87.9Confident30 Ų3049.2 Ų49.214%0.13925%0.254CS..Hα-helixtrans-55.3-42.4177-72.8167000112.3P662 D663 D664 L671 L672 V688P662-H668 PolarHBondContact O-NE2 2.86Å; P662-H668 VanDerWaalsContact O-NE2 3.14Å; D663-H668 IonicContact OD1-CE1 2.73Å; D664-H668 WeakPolarHBondContact O-CB 3.38Å; D664-H668 PolarHBondContact O-N 3.38Å; D664-H668 PolarHBondContact O-ND1 2.91Å; H668-L671 PolarHBondContact O-N 2.9Å; H668-L672 PolarHBondContact O-N 3.4Å; H668-V688 HydrophobicContact CB-CG1 3.62Å
669R90.8Very high88.7Confident62 Ų6248.7 Ų48.723%0.23424%0.241CC..Hα-helixtrans-67.6-39.8173.8-67.4170.9-170.3-156.1-0.9111.9A665 K666 L667 L672 R673 W692 E695 E696A665-R669 WeakPolarHBondContact O-CG 3.26Å; A665-R669 PolarHBondContact O-N 3.48Å; A665-R669 VanDerWaalsContact O-N 3.1Å; K666-R669 PolarHBondContact O-N 2.91Å; L667-R669 VanDerWaalsContact C-N 3.26Å; L667-R669 PolarHBondContact O-N 2.86Å; R669-L672 WeakPolarHBondContact O-CB 3.12Å; R669-L672 PolarHBondContact O-N 3.36Å; R669-R673 VanDerWaalsContact O-CG 3.29Å; R669-R673 WeakPolarHBondContact O-CG 3.33Å; R669-R673 PolarHBondContact O-N 3.37Å; R669-W692 HydrophobicContact CB-CH2 4.43Å; R669-W692 HydrophobicContact CB-CZ3 4.19Å; R669-W692 HydrophobicContact CG-CD2 4.02Å; R669-W692 HydrophobicContact CG-CE3 3.78Å; R669-W692 HydrophobicContact CG-CH2 4.13Å; R669-W692 HydrophobicContact CG-CZ2 4.36Å; R669-W692 HydrophobicContact CG-CZ3 3.83Å; R669-E695 IonicContact NH2-OE2 3.92Å; R669-E696 IonicContact CZ-OE1 3.51Å; R669-E696 IonicContact NH1-OE1 3.47Å; R669-E696 PolarHBondContact NH1-OE1 3.06Å; R669-E696 IonicContact NH2-OE1 2.73Å; R669-E696 PolarHBondContact NH2-OE1 3.13Å
670K91Very high89.2Confident44 Ų4447.4 Ų47.419%0.19124%0.242CC..Hα-helixtrans-60.8-42.4172.4-73.8-177.6177.4-178.10112C614 E639 K666 L667 R673 W674C614-K670 PolarHBondContact O-NZ 3.11Å; E639-K670 IonicContact OE1-NZ 3.82Å; E639-K670 PolarHBondContact OE1-NZ 2.8Å; E639-K670 IonicContact OE2-NZ 2.67Å; E639-K670 PolarHBondContact OE2-NZ 3.05Å; K666-K670 PolarHBondContact O-N 2.84Å; L667-K670 CarbonylContact O-C 3.45Å; L667-K670 WeakPolarHBondContact O-CA 3.21Å; L667-K670 WeakPolarHBondContact O-CB 3.31Å; L667-K670 PolarHBondContact O-N 3.15Å; K670-R673 WeakPolarHBondContact O-CB 2.96Å; K670-R673 PolarHBondContact O-N 2.94Å; K670-R673 VanDerWaalsContact O-N 3.15Å; K670-W674 HydrophobicContact CB-CD2 4.34Å; K670-W674 HydrophobicContact CB-CE3 4.35Å; K670-W674 HydrophobicContact CB-CH2 3.97Å; K670-W674 HydrophobicContact CB-CZ2 3.94Å; K670-W674 HydrophobicContact CB-CZ3 4.17Å; K670-W674 HydrophobicContact CD-CH2 4.02Å; K670-W674 HydrophobicContact CD-CZ2 3.94Å; K670-W674 HydrophobicContact CG-CZ2 4.33Å; K670-W674 VanDerWaalsContact O-CG 3.23Å; K670-W674 PolarHBondContact O-N 3.23Å
671L92.4Very high89.5Confident7 Ų746.9 Ų46.94%0.03725%0.245CC..Hα-helixtrans-62.4-45.2176.4-72.6173.8000111.5Y635 L638 I661 L667 H668 R673 W674 Y675 L685Y635-L671 HydrophobicContact CE1-CD2 3.95Å; L638-L671 HydrophobicContact CD2-CD2 4.49Å; I661-L671 HydrophobicContact CG2-CD1 3.97Å; L667-L671 HydrophobicContact CG-CD1 4.25Å; L667-L671 HydrophobicContact CG-CG 4.39Å; L667-L671 WeakPolarHBondContact O-CG 3.2Å; L667-L671 PolarHBondContact O-N 3.01Å; H668-L671 PolarHBondContact O-N 2.9Å; L671-R673 PolarHBondContact O-N 3.24Å; L671-W674 HydrophobicContact CD2-CE3 3.86Å; L671-W674 HydrophobicContact CD2-CZ3 4.11Å; L671-W674 PolarHBondContact O-N 3.25Å; L671-Y675 HydrophobicContact CB-CD2 4.49Å; L671-Y675 HydrophobicContact CD2-CE2 4.15Å; L671-Y675 WeakPolarHBondContact O-CB 3.38Å; L671-Y675 WeakPolarHBondContact O-CD2 3.05Å; L671-Y675 PolarHBondContact O-N 3.09Å; L671-L685 HydrophobicContact CB-CD1 4.09Å; L671-L685 HydrophobicContact CB-CD2 4.09Å; L671-L685 HydrophobicContact CD1-CD2 4.45Å
672L92.6Very high89.7Confident0 Ų045.6 Ų45.60%024%0.238CC..Hα-helixtrans-54.7-43.3172.7-78.7171.3000111.6H668 R669 S676 L685 V688 A689 W692 Y705 Q709H668-L672 PolarHBondContact O-N 3.4Å; R669-L672 WeakPolarHBondContact O-CB 3.12Å; R669-L672 PolarHBondContact O-N 3.36Å; L672-S676 WeakPolarHBondContact O-CB 3.45Å; L672-S676 PolarHBondContact O-N 3.18Å; L672-S676 VanDerWaalsContact O-N 3.1Å; L672-S676 PolarHBondContact O-OG 3.15Å; L672-L685 HydrophobicContact CD2-CB 3.7Å; L672-L685 HydrophobicContact CD2-CD1 4.29Å; L672-L685 HydrophobicContact CG-CB 4.44Å; L672-V688 HydrophobicContact CD1-CG1 3.92Å; L672-V688 HydrophobicContact CG-CG1 4.48Å; L672-A689 HydrophobicContact CD1-CB 4Å; L672-A689 HydrophobicContact CD2-CB 3.99Å; L672-W692 HydrophobicContact CD1-CE3 3.92Å; L672-W692 HydrophobicContact CD1-CZ3 4.23Å; L672-Y705 HydrophobicContact CB-CD1 4.37Å; L672-Y705 HydrophobicContact CB-CG 4.23Å; L672-Q709 HydrophobicContact CD2-CG 3.63Å
673R89.9Confident89.8Confident43 Ų4348.1 Ų48.116%0.16226%0.259CS..Hα-helixtrans-62.2-55.5176.5-67.6168.7178.9-172.1-2.2111.4D321 R669 K670 L671 S676 S677 Y705D321-R673 IonicContact OD2-CZ 3.69Å; D321-R673 IonicContact OD2-NH1 3.58Å; D321-R673 PolarHBondContact OD2-NH1 2.78Å; D321-R673 VanDerWaalsContact OD2-NH1 3.08Å; D321-R673 IonicContact OD2-NH2 2.88Å; R669-R673 VanDerWaalsContact O-CG 3.29Å; R669-R673 WeakPolarHBondContact O-CG 3.33Å; R669-R673 PolarHBondContact O-N 3.37Å; K670-R673 WeakPolarHBondContact O-CB 2.96Å; K670-R673 PolarHBondContact O-N 2.94Å; K670-R673 VanDerWaalsContact O-N 3.15Å; L671-R673 PolarHBondContact O-N 3.24Å; R673-S676 PolarHBondContact O-N 3.04Å; R673-S677 PolarHBondContact O-N 3Å; R673-S677 PolarHBondContact O-OG 3.33Å; R673-Y705 HydrophobicContact CB-CE1 4.43Å; R673-Y705 HydrophobicContact CG-CE1 4.07Å; R673-Y705 HydrophobicContact CG-CE2 4.04Å; R673-Y705 WeakPolarHBondContact CG-OH 3.48Å
674W90.4Very high89.9Confident26 Ų2647.6 Ų47.610%0.09825%0.252CS..Hα-helixtrans-64-42.9-175.3-60.9-31000113.3Y635 L638 E639 L653 L667 K670 L671 S677 V678Y635-W674 HydrophobicContact CD1-CZ3 4.44Å; L638-W674 HydrophobicContact CD2-CD2 4.48Å; L638-W674 HydrophobicContact CD2-CE3 3.52Å; L638-W674 HydrophobicContact CD2-CZ3 3.55Å; L638-W674 HydrophobicContact CG-CD2 4.44Å; L638-W674 HydrophobicContact CG-CE3 3.85Å; L638-W674 HydrophobicContact CG-CH2 4.39Å; L638-W674 HydrophobicContact CG-CZ3 3.83Å; E639-W674 HydrophobicContact CB-CH2 4.06Å; E639-W674 HydrophobicContact CB-CZ2 3.97Å; E639-W674 HydrophobicContact CG-CZ2 4.25Å; L653-W674 HydrophobicContact CD1-CB 4.34Å; L667-W674 HydrophobicContact CD1-CZ3 4.36Å; K670-W674 HydrophobicContact CB-CD2 4.34Å; K670-W674 HydrophobicContact CB-CE3 4.35Å; K670-W674 HydrophobicContact CB-CH2 3.97Å; K670-W674 HydrophobicContact CB-CZ2 3.94Å; K670-W674 HydrophobicContact CB-CZ3 4.17Å; K670-W674 HydrophobicContact CD-CH2 4.02Å; K670-W674 HydrophobicContact CD-CZ2 3.94Å; K670-W674 HydrophobicContact CG-CZ2 4.33Å; K670-W674 VanDerWaalsContact O-CG 3.23Å; K670-W674 PolarHBondContact O-N 3.23Å; L671-W674 HydrophobicContact CD2-CE3 3.86Å; L671-W674 HydrophobicContact CD2-CZ3 4.11Å; L671-W674 PolarHBondContact O-N 3.25Å; W674-S677 PolarHBondContact O-N 2.85Å; W674-S677 PolarHBondContact O-OG 3.43Å; W674-V678 PolarHBondContact O-N 2.94Å
675Y90.8Very high90Very high29 Ų2946.7 Ų46.711%0.11425%0.247CC..Hα-helixtrans-69.4-36.8176.6-83.2-72.3000112.2L653 L671 V678 Q679 T680 M682 L685L653-Y675 HydrophobicContact CB-CE1 4.01Å; L653-Y675 HydrophobicContact CD1-CD1 4.17Å; L653-Y675 HydrophobicContact CD1-CE1 4.25Å; L653-Y675 HydrophobicContact CD2-CE1 4.07Å; L653-Y675 HydrophobicContact CD2-CE2 4.08Å; L653-Y675 HydrophobicContact CG-CE1 4.34Å; L671-Y675 HydrophobicContact CB-CD2 4.49Å; L671-Y675 HydrophobicContact CD2-CE2 4.15Å; L671-Y675 WeakPolarHBondContact O-CB 3.38Å; L671-Y675 WeakPolarHBondContact O-CD2 3.05Å; L671-Y675 PolarHBondContact O-N 3.09Å; Y675-V678 WeakPolarHBondContact O-CG2 3.42Å; Y675-Q679 PolarHBondContact O-N 3.48Å; Y675-T680 CarbonylContact C-O 3.6Å; Y675-T680 HydrophobicContact CD1-CG2 4.14Å; Y675-T680 PolarHBondContact O-N 3.31Å; Y675-T680 VanDerWaalsContact O-O 3.09Å; Y675-M682 HydrophobicContact CD1-CE 3.85Å; Y675-M682 HydrophobicContact CD1-CG 3.52Å; Y675-M682 HydrophobicContact CD2-CG 4.02Å; Y675-M682 HydrophobicContact CE1-CE 3.16Å; Y675-M682 HydrophobicContact CE1-CG 3.55Å; Y675-M682 HydrophobicContact CE1-SD 4.12Å; Y675-M682 HydrophobicContact CE2-CG 4Å; Y675-M682 HydrophobicContact CG-CG 3.76Å; Y675-L685 HydrophobicContact CD2-CD1 3.69Å; Y675-L685 HydrophobicContact CE2-CD1 4.44Å; Y675-L685 HydrophobicContact CG-CD1 4.25Å
676S90.9Very high90.3Very high3 Ų345.6 Ų45.62%0.02123%0.234CC..Hα-helixtrans-71.3-31.5177.5-56.20000112.7L672 R673 V678 Q679 Q709L672-S676 WeakPolarHBondContact O-CB 3.45Å; L672-S676 PolarHBondContact O-N 3.18Å; L672-S676 VanDerWaalsContact O-N 3.1Å; L672-S676 PolarHBondContact O-OG 3.15Å; R673-S676 PolarHBondContact O-N 3.04Å; S676-V678 VanDerWaalsContact C-N 3.31Å; S676-V678 PolarHBondContact O-N 3.43Å; S676-Q679 PolarHBondContact O-N 2.83Å; S676-Q679 VanDerWaalsContact O-N 3.08Å; S676-Q709 PolarHBondContact OG-NE2 2.83Å
677S84.5Confident90.5Very high68 Ų6841.7 Ų41.748%0.47622%0.224SC..Hα-helixtrans-66-34.2177.663.70000112.3R673 W674 Q679R673-S677 PolarHBondContact O-N 3Å; R673-S677 PolarHBondContact O-OG 3.33Å; W674-S677 PolarHBondContact O-N 2.85Å; W674-S677 PolarHBondContact O-OG 3.43Å; S677-Q679 VanDerWaalsContact C-N 3.28Å
678V85.2Confident90.6Very high21 Ų2143 Ų4313%0.12723%0.232CC..THydrogen-bonded Turntrans-90.313.5172.9-57.40000113.3V649 T650 L653 W674 Y675 S676 T680V649-V678 HydrophobicContact CB-CG1 4.31Å; V649-V678 HydrophobicContact CG1-CG1 3.77Å; T650-V678 VanDerWaalsContact OG1-CG1 3.32Å; T650-V678 WeakPolarHBondContact OG1-CG1 3.13Å; L653-V678 HydrophobicContact CD1-CG1 4.31Å; L653-V678 HydrophobicContact CD1-CG2 3.7Å; W674-V678 PolarHBondContact O-N 2.94Å; Y675-V678 WeakPolarHBondContact O-CG2 3.42Å; S676-V678 VanDerWaalsContact C-N 3.31Å; S676-V678 PolarHBondContact O-N 3.43Å; V678-T680 PolarHBondContact O-N 2.82Å; V678-T680 VanDerWaalsContact O-N 3.11Å; V678-T680 PolarHBondContact O-OG1 3.36Å
679Q88.9Confident90.7Very high113 Ų11341.6 Ų41.653%0.52823%0.226SC..THydrogen-bonded Turntrans52.633.8179.2-53.6-176.511.200114.2Y675 S676 S677 Y712Y675-Q679 PolarHBondContact O-N 3.48Å; S676-Q679 PolarHBondContact O-N 2.83Å; S676-Q679 VanDerWaalsContact O-N 3.08Å; S677-Q679 VanDerWaalsContact C-N 3.28Å; Q679-Y712 HydrophobicContact CB-CD1 4.06Å; Q679-Y712 HydrophobicContact CB-CE1 3.65Å; Q679-Y712 HydrophobicContact CB-CE2 4.35Å; Q679-Y712 HydrophobicContact CG-CE1 4.02Å; Q679-Y712 WeakPolarHBondContact O-CD1 3.35Å
680T89.9Confident90.9Very high54 Ų5443.2 Ų43.233%0.33124%0.236SC..  trans-109131.3-178.3-61.80000110.1Y675 V678 M682 Q709Y675-T680 CarbonylContact C-O 3.6Å; Y675-T680 HydrophobicContact CD1-CG2 4.14Å; Y675-T680 PolarHBondContact O-N 3.31Å; Y675-T680 VanDerWaalsContact O-O 3.09Å; V678-T680 PolarHBondContact O-N 2.82Å; V678-T680 VanDerWaalsContact O-N 3.11Å; V678-T680 PolarHBondContact O-OG1 3.36Å; T680-M682 HydrophobicContact CG2-CE 4.12Å; T680-Q709 PolarHBondContact O-NE2 2.73Å; T680-Q709 VanDerWaalsContact O-NE2 3.15Å
681G90.4Very high91Very high22 Ų2246.7 Ų46.723%0.22725%0.253CS..  trans-93.8125.5-179.400000111.5Y712G681-Y712 VanDerWaalsContact N-CB 3.29Å
682M90.4Very high91.1Very high53 Ų5346.8 Ų46.826%0.26125%0.253SS..  trans-112.7113.1170.5-70.6-60.9170.500109.2Y675 T680 E684 L685Y675-M682 HydrophobicContact CD1-CE 3.85Å; Y675-M682 HydrophobicContact CD1-CG 3.52Å; Y675-M682 HydrophobicContact CD2-CG 4.02Å; Y675-M682 HydrophobicContact CE1-CE 3.16Å; Y675-M682 HydrophobicContact CE1-CG 3.55Å; Y675-M682 HydrophobicContact CE1-SD 4.12Å; Y675-M682 HydrophobicContact CE2-CG 4Å; Y675-M682 HydrophobicContact CG-CG 3.76Å; T680-M682 HydrophobicContact CG2-CE 4.12Å; M682-E684 PolarHBondContact O-N 2.96Å; M682-L685 HydrophobicContact CB-CB 4.37Å; M682-L685 HydrophobicContact CB-CD1 3.91Å; M682-L685 HydrophobicContact CB-CG 3.91Å; M682-L685 WeakPolarHBondContact O-CB 3.12Å; M682-L685 PolarHBondContact O-N 2.81Å
683A90.9Very high91.1Very high57 Ų5748.2 Ų48.247%0.47126%0.259SS..THydrogen-bonded Turntrans-61.1-31.7-173.300000112L685 I686 P687A683-L685 PolarHBondContact O-N 3.24Å; A683-I686 WeakPolarHBondContact O-CB 3.4Å; A683-I686 PolarHBondContact O-N 2.75Å; A683-P687 WeakPolarHBondContact O-CD 3.25Å
684E89.4Confident91.3Very high133 Ų13351.5 Ų51.562%0.62128%0.284SS*.THydrogen-bonded Turntrans-65.4-23177.3-63.676.4-170.500112.9M682 P687M682-E684 PolarHBondContact O-N 2.96Å; E684-P687 WeakPolarHBondContact O-CD 3.36Å
685L91.4Very high91.5Very high5 Ų555.2 Ų55.23%0.02630%0.303CS..Hα-helixtrans-87.4-11.9176.9-62.5-177.9000113.2L671 L672 Y675 M682 A683 V688 A689L671-L685 HydrophobicContact CB-CD1 4.09Å; L671-L685 HydrophobicContact CB-CD2 4.09Å; L671-L685 HydrophobicContact CD1-CD2 4.45Å; L672-L685 HydrophobicContact CD2-CB 3.7Å; L672-L685 HydrophobicContact CD2-CD1 4.29Å; L672-L685 HydrophobicContact CG-CB 4.44Å; Y675-L685 HydrophobicContact CD2-CD1 3.69Å; Y675-L685 HydrophobicContact CE2-CD1 4.44Å; Y675-L685 HydrophobicContact CG-CD1 4.25Å; M682-L685 HydrophobicContact CB-CB 4.37Å; M682-L685 HydrophobicContact CB-CD1 3.91Å; M682-L685 HydrophobicContact CB-CG 3.91Å; M682-L685 WeakPolarHBondContact O-CB 3.12Å; M682-L685 PolarHBondContact O-N 2.81Å; A683-L685 PolarHBondContact O-N 3.24Å; L685-V688 WeakPolarHBondContact O-CB 3.39Å; L685-V688 PolarHBondContact O-N 3.46Å; L685-A689 PolarHBondContact O-N 3.1Å
686I93.9Very high91.5Very high31 Ų3157.2 Ų57.216%0.15931%0.313CS..Hα-helixtrans-63.1-48.3177.7-63.4173.2000111.4A683 V688 A689 Q690 L706 Q709 R710 C713A683-I686 WeakPolarHBondContact O-CB 3.4Å; A683-I686 PolarHBondContact O-N 2.75Å; I686-V688 VanDerWaalsContact C-N 3.25Å; I686-V688 PolarHBondContact O-N 2.99Å; I686-A689 PolarHBondContact O-N 3.35Å; I686-Q690 HydrophobicContact CG2-CG 4.39Å; I686-Q690 WeakPolarHBondContact O-CG 3.45Å; I686-Q690 PolarHBondContact O-N 3.38Å; I686-L706 HydrophobicContact CG2-CD1 4.4Å; I686-Q709 HydrophobicContact CG1-CB 4.24Å; I686-R710 HydrophobicContact CD1-CG 4.3Å; I686-R710 HydrophobicContact CG1-CG 4.5Å; I686-R710 HydrophobicContact CG2-CG 4.3Å; I686-C713 HydrophobicContact CD1-CB 4.27Å
687P93.6Very high91.4Very high75 Ų7560.2 Ų60.249%0.48733%0.333SS..Hα-helixtrans-58.4-37.4175.2-24.934.8000113A683 E684 Q690 Q691A683-P687 WeakPolarHBondContact O-CD 3.25Å; E684-P687 WeakPolarHBondContact O-CD 3.36Å; P687-Q690 PolarHBondContact O-N 3.2Å; P687-Q691 WeakPolarHBondContact O-CB 3.48Å; P687-Q691 PolarHBondContact O-N 2.92Å
688V92.9Very high91.6Very high28 Ų2864.2 Ų64.217%0.1734%0.344CS..Hα-helixtrans-61-48.6175.5172.10000110.7H668 L672 L685 I686 Q690 Q691 W692H668-V688 HydrophobicContact CB-CG1 3.62Å; L672-V688 HydrophobicContact CD1-CG1 3.92Å; L672-V688 HydrophobicContact CG-CG1 4.48Å; L685-V688 WeakPolarHBondContact O-CB 3.39Å; L685-V688 PolarHBondContact O-N 3.46Å; I686-V688 VanDerWaalsContact C-N 3.25Å; I686-V688 PolarHBondContact O-N 2.99Å; V688-Q690 VanDerWaalsContact C-N 3.34Å; V688-Q690 PolarHBondContact O-N 2.97Å; V688-Q691 PolarHBondContact O-N 3.37Å; V688-W692 PolarHBondContact O-N 3.16Å
689A93.8Very high91.7Very high0 Ų064.2 Ų64.20%035%0.345CS..Hα-helixtrans-64.9-37.4178.300000112.3L672 L685 I686 W692 Q693 L706L672-A689 HydrophobicContact CD1-CB 4Å; L672-A689 HydrophobicContact CD2-CB 3.99Å; L685-A689 PolarHBondContact O-N 3.1Å; I686-A689 PolarHBondContact O-N 3.35Å; A689-W692 PolarHBondContact O-N 2.93Å; A689-Q693 WeakPolarHBondContact O-CB 3.45Å; A689-Q693 PolarHBondContact O-N 3.4Å; A689-L706 HydrophobicContact CB-CB 3.96Å; A689-L706 HydrophobicContact CB-CD1 3.96Å
690Q95Very high91.7Very high95 Ų9562.1 Ų62.144%0.44434%0.335SS..Hα-helixtrans-63.6-42.5174.6-72.2174.8-14.100112I686 P687 V688 Q693 T694 L706I686-Q690 HydrophobicContact CG2-CG 4.39Å; I686-Q690 WeakPolarHBondContact O-CG 3.45Å; I686-Q690 PolarHBondContact O-N 3.38Å; P687-Q690 PolarHBondContact O-N 3.2Å; V688-Q690 VanDerWaalsContact C-N 3.34Å; V688-Q690 PolarHBondContact O-N 2.97Å; Q690-Q693 PolarHBondContact O-N 3.01Å; Q690-T694 WeakPolarHBondContact O-CB 3.41Å; Q690-T694 PolarHBondContact O-N 3.47Å; Q690-T694 PolarHBondContact O-OG1 3.01Å; Q690-L706 HydrophobicContact CG-CD1 3.6Å; Q690-L706 HydrophobicContact CG-CD2 4.42Å
691Q93.7Very high91.6Very high117 Ų11760.8 Ų60.855%0.54733%0.326SS..Hα-helixtrans-62.8-47.6175.9-178.5177.7-13.100110.6P687 V688 Q693 T694 E695P687-Q691 WeakPolarHBondContact O-CB 3.48Å; P687-Q691 PolarHBondContact O-N 2.92Å; V688-Q691 PolarHBondContact O-N 3.37Å; Q691-Q693 VanDerWaalsContact C-N 3.34Å; Q691-Q693 PolarHBondContact O-N 2.93Å; Q691-T694 WeakPolarHBondContact O-CA 3.41Å; Q691-T694 WeakPolarHBondContact O-CB 3.12Å; Q691-T694 PolarHBondContact O-N 2.91Å; Q691-E695 HydrophobicContact CG-CG 4.43Å; Q691-E695 WeakPolarHBondContact CG-OE1 3.42Å; Q691-E695 PolarHBondContact NE2-OE1 3.47Å; Q691-E695 WeakPolarHBondContact O-CG 3.34Å; Q691-E695 PolarHBondContact O-N 3.07Å
692W94.1Very high91.7Very high9 Ų959.8 Ų59.83%0.03432%0.315CS..Hα-helixtrans-59.5-43.5177.2-174.112000112R669 L672 V688 A689 T694 E695 E696 D701 A702 Y705R669-W692 HydrophobicContact CB-CH2 4.43Å; R669-W692 HydrophobicContact CB-CZ3 4.19Å; R669-W692 HydrophobicContact CG-CD2 4.02Å; R669-W692 HydrophobicContact CG-CE3 3.78Å; R669-W692 HydrophobicContact CG-CH2 4.13Å; R669-W692 HydrophobicContact CG-CZ2 4.36Å; R669-W692 HydrophobicContact CG-CZ3 3.83Å; L672-W692 HydrophobicContact CD1-CE3 3.92Å; L672-W692 HydrophobicContact CD1-CZ3 4.23Å; V688-W692 PolarHBondContact O-N 3.16Å; A689-W692 PolarHBondContact O-N 2.93Å; W692-T694 PolarHBondContact O-N 3.43Å; W692-E695 PolarHBondContact O-N 3.4Å; W692-E696 PolarHBondContact NE1-OE1 3.31Å; W692-E696 PolarHBondContact NE1-OE2 2.9Å; W692-E696 PolarHBondContact O-N 3.38Å; W692-D701 HydrophobicContact CH2-CB 3.99Å; W692-D701 HydrophobicContact CZ2-CB 4.17Å; W692-A702 HydrophobicContact CB-CB 4.42Å; W692-A702 HydrophobicContact CD2-CB 3.76Å; W692-A702 HydrophobicContact CE3-CB 4.3Å; W692-A702 HydrophobicContact CG-CB 3.81Å; W692-Y705 AromaticContact CH2-CD2 3.97Å; W692-Y705 HydrophobicContact CH2-CD2 3.97Å; W692-Y705 HydrophobicContact CH2-CE2 4.16Å; W692-Y705 AromaticContact CZ3-CD2 3.54Å; W692-Y705 HydrophobicContact CZ3-CD2 3.54Å; W692-Y705 HydrophobicContact CZ3-CE2 4.12Å; W692-Y705 HydrophobicContact CZ3-CG 4.47Å
693Q92.9Very high91.7Very high30 Ų3060.3 Ų60.314%0.1431%0.314CS..Hα-helixtrans-63.5-29.3175.1-177.959.447.900113A689 Q690 Q691 E696 P697 A702 R703 L706A689-Q693 WeakPolarHBondContact O-CB 3.45Å; A689-Q693 PolarHBondContact O-N 3.4Å; Q690-Q693 PolarHBondContact O-N 3.01Å; Q691-Q693 VanDerWaalsContact C-N 3.34Å; Q691-Q693 PolarHBondContact O-N 2.93Å; Q693-E696 CarbonylContact O-C 3.59Å; Q693-P697 PolarHBondContact NE2-O 3.26Å; Q693-P697 VanDerWaalsContact O-CA 3.29Å; Q693-P697 WeakPolarHBondContact O-CA 3.34Å; Q693-A702 HydrophobicContact CB-CB 4.41Å; Q693-R703 VanDerWaalsContact OE1-CB 3.25Å; Q693-L706 HydrophobicContact CB-CD2 4.2Å; Q693-L706 HydrophobicContact CG-CD2 4.24Å
694T94.4Very high91.9Very high112 Ų11259 Ų5969%0.68730%0.297SS*.Hα-helixtrans-76.7-39.3177-56.70000111.4Q690 Q691 W692Q690-T694 WeakPolarHBondContact O-CB 3.41Å; Q690-T694 PolarHBondContact O-N 3.47Å; Q690-T694 PolarHBondContact O-OG1 3.01Å; Q691-T694 WeakPolarHBondContact O-CA 3.41Å; Q691-T694 WeakPolarHBondContact O-CB 3.12Å; Q691-T694 PolarHBondContact O-N 2.91Å; W692-T694 PolarHBondContact O-N 3.43Å
695E93.6Very high92.1Very high104 Ų10453.1 Ų53.149%0.48627%0.27SS..Hα-helixtrans-69.5-38.6176.3-70.7171.3-177.200111.9R669 Q691 W692R669-E695 IonicContact NH2-OE2 3.92Å; Q691-E695 HydrophobicContact CG-CG 4.43Å; Q691-E695 WeakPolarHBondContact CG-OE1 3.42Å; Q691-E695 PolarHBondContact NE2-OE1 3.47Å; Q691-E695 WeakPolarHBondContact O-CG 3.34Å; Q691-E695 PolarHBondContact O-N 3.07Å; W692-E695 PolarHBondContact O-N 3.4Å
696E91.9Very high92.3Very high72 Ų7254 Ų5434%0.33627%0.274SS..  trans-127.774.7-177.4-61.2173.8-151.100111.4R669 W692 Q693 E698 S699R669-E696 IonicContact CZ-OE1 3.51Å; R669-E696 IonicContact NH1-OE1 3.47Å; R669-E696 PolarHBondContact NH1-OE1 3.06Å; R669-E696 IonicContact NH2-OE1 2.73Å; R669-E696 PolarHBondContact NH2-OE1 3.13Å; W692-E696 PolarHBondContact NE1-OE1 3.31Å; W692-E696 PolarHBondContact NE1-OE2 2.9Å; W692-E696 PolarHBondContact O-N 3.38Å; Q693-E696 CarbonylContact O-C 3.59Å; E696-E698 PolarHBondContact O-N 3.09Å; E696-E698 VanDerWaalsContact O-N 3.16Å; E696-S699 WeakPolarHBondContact O-CB 3.05Å; E696-S699 PolarHBondContact O-N 3.5Å
697P89.3Confident92.4Very high66 Ų6652.7 Ų52.743%0.42927%0.268SS..THydrogen-bonded Turntrans-61-28-174.5-26.135.6000115.7Q693 R703Q693-P697 PolarHBondContact NE2-O 3.26Å; Q693-P697 VanDerWaalsContact O-CA 3.29Å; Q693-P697 WeakPolarHBondContact O-CA 3.34Å; P697-R703 PolarHBondContact O-NH2 2.91Å; P697-R703 VanDerWaalsContact O-NH2 3.14Å
698E87.6Confident92.4Very high151 Ų15149.1 Ų49.171%0.70625%0.245SC*.THydrogen-bonded Turntrans-90.3-2.6-179-57.9-60.3142.900112.9E696 E700E696-E698 PolarHBondContact O-N 3.09Å; E696-E698 VanDerWaalsContact O-N 3.16Å; E698-E700 PolarHBondContact O-N 3.05Å
699S88.7Confident92.6Very high22 Ų2247.8 Ų47.815%0.15424%0.237CC..  trans-76.2115.4-179.8-178.10000110.7E696 D701 A702 R703E696-S699 WeakPolarHBondContact O-CB 3.05Å; E696-S699 PolarHBondContact O-N 3.5Å; S699-D701 VanDerWaalsContact C-N 3.33Å; S699-A702 PolarHBondContact O-N 2.83Å; S699-A702 PolarHBondContact OG-N 3.5Å; S699-R703 PolarHBondContact O-N 3.39Å
700E87.2Confident92.7Very high68 Ų6849.1 Ų49.132%0.31824%0.242SC..Hα-helixtrans-60.7-44174.1-175.1-180178.100110.7E698 A702 R703 Y704 Y726 Y730 S732E698-E700 PolarHBondContact O-N 3.05Å; E700-A702 PolarHBondContact O-N 2.9Å; E700-R703 PolarHBondContact O-N 3.19Å; E700-Y704 WeakPolarHBondContact O-CB 3.3Å; E700-Y704 PolarHBondContact O-N 3.34Å; E700-Y726 HydrophobicContact CG-CE2 4.32Å; E700-Y730 HydrophobicContact CG-CG 4.5Å; E700-S732 WeakPolarHBondContact OE1-CB 3.26Å; E700-S732 PolarHBondContact OE1-OG 2.66Å
701D88.9Confident92.8Very high27 Ų2744.9 Ų44.914%0.14422%0.222CC..Hα-helixtrans-57.5-47.1179.5-66.80.2000110.9K324 W692 S699 R703 Y704 Y705K324-D701 VanDerWaalsContact NZ-CG 3.29Å; K324-D701 IonicContact NZ-OD1 2.96Å; K324-D701 PolarHBondContact NZ-OD1 2.82Å; K324-D701 IonicContact NZ-OD2 3.67Å; K324-D701 PolarHBondContact NZ-OD2 3.34Å; W692-D701 HydrophobicContact CH2-CB 3.99Å; W692-D701 HydrophobicContact CZ2-CB 4.17Å; S699-D701 VanDerWaalsContact C-N 3.33Å; D701-R703 VanDerWaalsContact C-N 3.32Å; D701-R703 PolarHBondContact O-N 3.07Å; D701-Y704 WeakPolarHBondContact O-CB 3.39Å; D701-Y704 PolarHBondContact O-N 3.14Å; D701-Y705 HydrophobicContact CB-CD2 4.43Å; D701-Y705 HydrophobicContact CB-CE2 4.14Å; D701-Y705 WeakPolarHBondContact O-CD2 2.85Å; D701-Y705 PolarHBondContact O-N 3.45Å
702A91.3Very high92.8Very high0 Ų041 Ų410%020%0.203CC..Hα-helixtrans-60.7-42.3179.800000111.8W692 Q693 S699 E700 L706W692-A702 HydrophobicContact CB-CB 4.42Å; W692-A702 HydrophobicContact CD2-CB 3.76Å; W692-A702 HydrophobicContact CE3-CB 4.3Å; W692-A702 HydrophobicContact CG-CB 3.81Å; Q693-A702 HydrophobicContact CB-CB 4.41Å; S699-A702 PolarHBondContact O-N 2.83Å; S699-A702 PolarHBondContact OG-N 3.5Å; E700-A702 PolarHBondContact O-N 2.9Å; A702-L706 WeakPolarHBondContact O-CB 3.49Å; A702-L706 PolarHBondContact O-N 3.23Å; A702-L706 VanDerWaalsContact O-N 3.11Å
703R92.1Very high92.8Very high64 Ų6443.2 Ų43.224%0.24222%0.219CC..Hα-helixtrans-69.3-40.4179.9-164.9172.7-70.3178.67111.4Q693 P697 S699 E700 D701 C707 Y726 S729Q693-R703 VanDerWaalsContact OE1-CB 3.25Å; P697-R703 PolarHBondContact O-NH2 2.91Å; P697-R703 VanDerWaalsContact O-NH2 3.14Å; S699-R703 PolarHBondContact O-N 3.39Å; E700-R703 PolarHBondContact O-N 3.19Å; D701-R703 VanDerWaalsContact C-N 3.32Å; D701-R703 PolarHBondContact O-N 3.07Å; R703-C707 PolarHBondContact O-N 3.1Å; R703-C707 VanDerWaalsContact O-N 3.08Å; R703-C707 PolarHBondContact O-SG 3.4Å; R703-Y726 HydrophobicContact CB-CD2 4.23Å; R703-Y726 HydrophobicContact CB-CE2 4.31Å; R703-Y726 VanDerWaalsContact CD-CD2 3.43Å; R703-Y726 HydrophobicContact CG-CD2 3.69Å; R703-Y726 HydrophobicContact CG-CE2 4.26Å; R703-Y726 HydrophobicContact CG-CG 4.11Å; R703-S729 PolarHBondContact NH1-OG 3.5Å
704Y93.7Very high92.7Very high30 Ų3042.9 Ų42.912%0.11822%0.224CC..Hα-helixtrans-58.3-56.8174.8169.9-105.8000111.3E700 D701 L706 C707 A708 Y726 Q734 L738E700-Y704 WeakPolarHBondContact O-CB 3.3Å; E700-Y704 PolarHBondContact O-N 3.34Å; D701-Y704 WeakPolarHBondContact O-CB 3.39Å; D701-Y704 PolarHBondContact O-N 3.14Å; Y704-L706 VanDerWaalsContact C-N 3.29Å; Y704-L706 PolarHBondContact O-N 3.49Å; Y704-C707 PolarHBondContact O-N 2.93Å; Y704-C707 VanDerWaalsContact O-N 3.14Å; Y704-A708 HydrophobicContact CE2-CB 4.47Å; Y704-A708 VanDerWaalsContact O-CB 3.31Å; Y704-A708 WeakPolarHBondContact O-CB 3.34Å; Y704-A708 PolarHBondContact O-N 3.39Å; Y704-Y726 HydrophobicContact CD2-CE1 4.47Å; Y704-Q734 HydrophobicContact CD2-CB 3.77Å; Y704-Q734 HydrophobicContact CD2-CG 4.42Å; Y704-Q734 HydrophobicContact CE2-CB 3.7Å; Y704-Q734 HydrophobicContact CE2-CG 4.13Å; Y704-L738 HydrophobicContact CD2-CD1 3.61Å; Y704-L738 HydrophobicContact CD2-CG 4.3Å; Y704-L738 HydrophobicContact CE2-CD1 3.7Å; Y704-L738 HydrophobicContact CE2-CD2 4.18Å; Y704-L738 HydrophobicContact CE2-CG 3.9Å
705Y94.6Very high92.6Very high9 Ų940 Ų404%0.03520%0.202CC..Hα-helixtrans-64.8-33.3-176.5-69-61.1000112.7D320 L672 R673 W692 D701 A708 Q709D320-Y705 PolarHBondContact OD2-OH 3.2Å; L672-Y705 HydrophobicContact CB-CD1 4.37Å; L672-Y705 HydrophobicContact CB-CG 4.23Å; R673-Y705 HydrophobicContact CB-CE1 4.43Å; R673-Y705 HydrophobicContact CG-CE1 4.07Å; R673-Y705 HydrophobicContact CG-CE2 4.04Å; R673-Y705 WeakPolarHBondContact CG-OH 3.48Å; W692-Y705 AromaticContact CH2-CD2 3.97Å; W692-Y705 HydrophobicContact CH2-CD2 3.97Å; W692-Y705 HydrophobicContact CH2-CE2 4.16Å; W692-Y705 AromaticContact CZ3-CD2 3.54Å; W692-Y705 HydrophobicContact CZ3-CD2 3.54Å; W692-Y705 HydrophobicContact CZ3-CE2 4.12Å; W692-Y705 HydrophobicContact CZ3-CG 4.47Å; D701-Y705 HydrophobicContact CB-CD2 4.43Å; D701-Y705 HydrophobicContact CB-CE2 4.14Å; D701-Y705 WeakPolarHBondContact O-CD2 2.85Å; D701-Y705 PolarHBondContact O-N 3.45Å; Y705-A708 PolarHBondContact O-N 2.73Å; Y705-Q709 WeakPolarHBondContact O-CB 3.34Å; Y705-Q709 WeakPolarHBondContact O-CG 3.41Å; Y705-Q709 PolarHBondContact O-N 3.2Å
706L95.4Very high92.4Very high23 Ų2335.9 Ų35.912%0.1219%0.188CC..Hα-helixtrans-61.7-48.5172.5177.958000111.7I686 A689 Q690 Q693 A702 Y704 R710I686-L706 HydrophobicContact CG2-CD1 4.4Å; A689-L706 HydrophobicContact CB-CB 3.96Å; A689-L706 HydrophobicContact CB-CD1 3.96Å; Q690-L706 HydrophobicContact CG-CD1 3.6Å; Q690-L706 HydrophobicContact CG-CD2 4.42Å; Q693-L706 HydrophobicContact CB-CD2 4.2Å; Q693-L706 HydrophobicContact CG-CD2 4.24Å; A702-L706 WeakPolarHBondContact O-CB 3.49Å; A702-L706 PolarHBondContact O-N 3.23Å; A702-L706 VanDerWaalsContact O-N 3.11Å; Y704-L706 VanDerWaalsContact C-N 3.29Å; Y704-L706 PolarHBondContact O-N 3.49Å; L706-R710 HydrophobicContact CD1-CG 4.43Å; L706-R710 WeakPolarHBondContact O-CB 3.39Å; L706-R710 WeakPolarHBondContact O-CD 3.25Å; L706-R710 VanDerWaalsContact O-CG 3.25Å; L706-R710 WeakPolarHBondContact O-CG 3.37Å; L706-R710 PolarHBondContact O-N 3.19Å
707C95.5Very high92.4Very high5 Ų540.3 Ų40.33%0.03421%0.209CC..Hα-helixtrans-66.3-41.2177.9-66.10000111.7R703 Y704 L711 L723 L738R703-C707 PolarHBondContact O-N 3.1Å; R703-C707 VanDerWaalsContact O-N 3.08Å; R703-C707 PolarHBondContact O-SG 3.4Å; Y704-C707 PolarHBondContact O-N 2.93Å; Y704-C707 VanDerWaalsContact O-N 3.14Å; C707-L711 WeakPolarHBondContact O-CB 3.38Å; C707-L711 PolarHBondContact O-N 3.42Å; C707-L723 HydrophobicContact CB-CD1 4.44Å; C707-L738 HydrophobicContact CB-CD1 3.83Å
708A94.9Very high92.5Very high0 Ų040.8 Ų40.80%021%0.214CC..Hα-helixtrans-62.3-50.8-179.400000111.8Y704 Y705 R710 L711 Y712 L738Y704-A708 HydrophobicContact CE2-CB 4.47Å; Y704-A708 VanDerWaalsContact O-CB 3.31Å; Y704-A708 WeakPolarHBondContact O-CB 3.34Å; Y704-A708 PolarHBondContact O-N 3.39Å; Y705-A708 PolarHBondContact O-N 2.73Å; A708-R710 PolarHBondContact O-N 2.89Å; A708-L711 WeakPolarHBondContact O-CB 3.28Å; A708-L711 PolarHBondContact O-N 3.43Å; A708-Y712 HydrophobicContact CB-CD2 4.34Å; A708-Y712 HydrophobicContact CB-CE2 3.83Å; A708-Y712 WeakPolarHBondContact O-CD2 3.47Å; A708-Y712 PolarHBondContact O-N 3.2Å; A708-L738 HydrophobicContact CB-CD1 4.34Å; A708-L738 HydrophobicContact CB-CD2 3.91Å
709Q95.5Very high92.9Very high0 Ų033.6 Ų33.60%018%0.181CC..Hα-helixtrans-64.4-39.8179.9-73.8-61.8-50.800112.4L672 S676 T680 I686 Y705 L711 Y712 C713L672-Q709 HydrophobicContact CD2-CG 3.63Å; S676-Q709 PolarHBondContact OG-NE2 2.83Å; T680-Q709 PolarHBondContact O-NE2 2.73Å; T680-Q709 VanDerWaalsContact O-NE2 3.15Å; I686-Q709 HydrophobicContact CG1-CB 4.24Å; Y705-Q709 WeakPolarHBondContact O-CB 3.34Å; Y705-Q709 WeakPolarHBondContact O-CG 3.41Å; Y705-Q709 PolarHBondContact O-N 3.2Å; Q709-L711 PolarHBondContact O-N 3.19Å; Q709-Y712 PolarHBondContact O-N 3.49Å; Q709-C713 WeakPolarHBondContact O-CB 3.37Å; Q709-C713 PolarHBondContact O-N 2.89Å; Q709-C713 PolarHBondContact O-SG 3.41Å
710R96.7Very high93.2Very high28 Ų2833 Ų3311%0.10618%0.175CC..Hα-helixtrans-60.3-44.4173.3-72.617268.8-168.6-1.2112.1I686 L706 A708 G714 E715 L719 D722I686-R710 HydrophobicContact CD1-CG 4.3Å; I686-R710 HydrophobicContact CG1-CG 4.5Å; I686-R710 HydrophobicContact CG2-CG 4.3Å; L706-R710 HydrophobicContact CD1-CG 4.43Å; L706-R710 WeakPolarHBondContact O-CB 3.39Å; L706-R710 WeakPolarHBondContact O-CD 3.25Å; L706-R710 VanDerWaalsContact O-CG 3.25Å; L706-R710 WeakPolarHBondContact O-CG 3.37Å; L706-R710 PolarHBondContact O-N 3.19Å; A708-R710 PolarHBondContact O-N 2.89Å; R710-G714 PolarHBondContact O-N 3.09Å; R710-E715 HydrophobicContact CB-CB 4.4Å; R710-E715 WeakPolarHBondContact CB-OE2 3Å; R710-E715 WeakPolarHBondContact CG-OE2 3.29Å; R710-E715 IonicContact CZ-OE1 3.92Å; R710-E715 IonicContact CZ-OE2 2.77Å; R710-E715 IonicContact NE-OE1 3.53Å; R710-E715 IonicContact NE-OE2 2.68Å; R710-E715 PolarHBondContact NE-OE2 3.03Å; R710-E715 IonicContact NH2-OE1 2.69Å; R710-E715 PolarHBondContact NH2-OE1 3.06Å; R710-E715 IonicContact NH2-OE2 3.69Å; R710-E715 VanDerWaalsContact O-CB 3.23Å; R710-E715 WeakPolarHBondContact O-CB 3.28Å; R710-E715 PolarHBondContact O-N 2.89Å; R710-L719 HydrophobicContact CB-CD1 3.97Å; R710-L719 HydrophobicContact CB-CD2 4.09Å; R710-D722 IonicContact CZ-OD2 3.36Å; R710-D722 VanDerWaalsContact CZ-OD2 3.3Å; R710-D722 IonicContact NH1-OD2 3.5Å; R710-D722 PolarHBondContact NH1-OD2 3.26Å; R710-D722 IonicContact NH2-OD2 3.07Å; R710-D722 PolarHBondContact NH2-OD2 2.91Å
711L96Very high93.5Very high6 Ų632.8 Ų32.83%0.03119%0.186CC..Hα-helixtrans-60.2-48.9175.4174.266.9000111.6C707 A708 Q709 G714 L719 L738 Q741 W742C707-L711 WeakPolarHBondContact O-CB 3.38Å; C707-L711 PolarHBondContact O-N 3.42Å; A708-L711 WeakPolarHBondContact O-CB 3.28Å; A708-L711 PolarHBondContact O-N 3.43Å; Q709-L711 PolarHBondContact O-N 3.19Å; L711-G714 WeakPolarHBondContact O-CA 3.46Å; L711-G714 PolarHBondContact O-N 3.16Å; L711-L719 HydrophobicContact CB-CD2 3.82Å; L711-L719 HydrophobicContact CD1-CD2 4.48Å; L711-L738 HydrophobicContact CD2-CB 4.42Å; L711-L738 HydrophobicContact CD2-CD2 3.71Å; L711-Q741 HydrophobicContact CD2-CB 3.94Å; L711-W742 HydrophobicContact CD1-CB 3.73Å; L711-W742 HydrophobicContact CD1-CG 4.08Å
712Y94.3Very high93.7Very high35 Ų3535.1 Ų35.114%0.13720%0.198CC..Hα-helixtrans-71.6-29.6-176.1-57.9-38.9000112.7Q679 G681 A708 Q709 G714Q679-Y712 HydrophobicContact CB-CD1 4.06Å; Q679-Y712 HydrophobicContact CB-CE1 3.65Å; Q679-Y712 HydrophobicContact CB-CE2 4.35Å; Q679-Y712 HydrophobicContact CG-CE1 4.02Å; Q679-Y712 WeakPolarHBondContact O-CD1 3.35Å; G681-Y712 VanDerWaalsContact N-CB 3.29Å; A708-Y712 HydrophobicContact CB-CD2 4.34Å; A708-Y712 HydrophobicContact CB-CE2 3.83Å; A708-Y712 WeakPolarHBondContact O-CD2 3.47Å; A708-Y712 PolarHBondContact O-N 3.2Å; Q709-Y712 PolarHBondContact O-N 3.49Å; Y712-G714 PolarHBondContact O-N 2.85Å
713C94.3Very high93.8Very high55 Ų5535.2 Ų35.237%0.37220%0.199SC..THydrogen-bonded Turntrans-69.2-6166.8-70.50000113.3I686 Q709I686-C713 HydrophobicContact CD1-CB 4.27Å; Q709-C713 WeakPolarHBondContact O-CB 3.37Å; Q709-C713 PolarHBondContact O-N 2.89Å; Q709-C713 PolarHBondContact O-SG 3.41Å
714G90.8Very high93.9Very high24 Ų2432.7 Ų32.725%0.24719%0.19CC..THydrogen-bonded Turntrans87.423.2173.600000115R710 L711 Y712 G716R710-G714 PolarHBondContact O-N 3.09Å; L711-G714 WeakPolarHBondContact O-CA 3.46Å; L711-G714 PolarHBondContact O-N 3.16Å; Y712-G714 PolarHBondContact O-N 2.85Å; G714-G716 PolarHBondContact O-N 2.55Å
715E92.1Very high93.8Very high50 Ų5033.7 Ų33.723%0.23421%0.205CC..  trans-64126174.8-166.5176.5160.800111.3R710 S718 L719 W742R710-E715 HydrophobicContact CB-CB 4.4Å; R710-E715 WeakPolarHBondContact CB-OE2 3Å; R710-E715 WeakPolarHBondContact CG-OE2 3.29Å; R710-E715 IonicContact CZ-OE1 3.92Å; R710-E715 IonicContact CZ-OE2 2.77Å; R710-E715 IonicContact NE-OE1 3.53Å; R710-E715 IonicContact NE-OE2 2.68Å; R710-E715 PolarHBondContact NE-OE2 3.03Å; R710-E715 IonicContact NH2-OE1 2.69Å; R710-E715 PolarHBondContact NH2-OE1 3.06Å; R710-E715 IonicContact NH2-OE2 3.69Å; R710-E715 VanDerWaalsContact O-CB 3.23Å; R710-E715 WeakPolarHBondContact O-CB 3.28Å; R710-E715 PolarHBondContact O-N 2.89Å; E715-S718 VanDerWaalsContact CD-OG 3.31Å; E715-S718 WeakPolarHBondContact CG-OG 3.45Å; E715-S718 WeakPolarHBondContact OE1-CB 3.45Å; E715-S718 PolarHBondContact OE1-OG 3.44Å; E715-L719 HydrophobicContact CB-CB 4.3Å; E715-L719 HydrophobicContact CG-CB 4.05Å; E715-W742 PolarHBondContact O-NE1 2.78Å
716G90.3Very high93.7Very high19 Ų1933.3 Ų33.320%0.19620%0.203CC..  trans-87.5-124.4-175.500000113.8G714 S718 L719 W742G714-G716 PolarHBondContact O-N 2.55Å; G716-S718 VanDerWaalsContact C-N 3.26Å; G716-S718 PolarHBondContact O-N 2.98Å; G716-L719 PolarHBondContact O-N 2.85Å; G716-W742 WeakPolarHBondContact O-CZ2 3.47Å; G716-W742 PolarHBondContact O-NE1 3.16Å
717E90.5Very high93.6Very high164 Ų16433.5 Ų33.577%0.76620%0.203SC*.Hα-helixtrans-59.5-28.5-172.5-69.7-173.5168.600114.8L719 L720E717-L719 PolarHBondContact O-N 3.14Å; E717-L720 WeakPolarHBondContact O-CB 3.28Å; E717-L720 PolarHBondContact O-N 3.32Å; E717-L720 VanDerWaalsContact O-N 3.13Å
718S92.5Very high93.4Very high77 Ų7737.8 Ų37.854%0.53822%0.222SC..Hα-helixtrans-64.2-25.5178.853.40000113.5E715 G716E715-S718 VanDerWaalsContact CD-OG 3.31Å; E715-S718 WeakPolarHBondContact CG-OG 3.45Å; E715-S718 WeakPolarHBondContact OE1-CB 3.45Å; E715-S718 PolarHBondContact OE1-OG 3.44Å; G716-S718 VanDerWaalsContact C-N 3.26Å; G716-S718 PolarHBondContact O-N 2.98Å
719L95Very high93.1Very high0 Ų040.2 Ų40.20%024%0.239CC..Hα-helixtrans-79.5-23.6176.7178.659.8000112.6R710 L711 E715 G716 E717 A721 D722 L723R710-L719 HydrophobicContact CB-CD1 3.97Å; R710-L719 HydrophobicContact CB-CD2 4.09Å; L711-L719 HydrophobicContact CB-CD2 3.82Å; L711-L719 HydrophobicContact CD1-CD2 4.48Å; E715-L719 HydrophobicContact CB-CB 4.3Å; E715-L719 HydrophobicContact CG-CB 4.05Å; G716-L719 PolarHBondContact O-N 2.85Å; E717-L719 PolarHBondContact O-N 3.14Å; L719-A721 VanDerWaalsContact C-N 3.32Å; L719-A721 PolarHBondContact O-N 2.81Å; L719-D722 PolarHBondContact O-N 3.33Å; L719-L723 HydrophobicContact CG-CB 4.42Å; L719-L723 WeakPolarHBondContact O-CB 3.33Å; L719-L723 PolarHBondContact O-N 3.08Å
720L95.4Very high92.6Very high8 Ų843.2 Ų43.24%0.04225%0.251CS..Hα-helixtrans-59.8-41.1-169.2178.360.5000112.8E717 L723 C724 W742 H863 P864 L865E717-L720 WeakPolarHBondContact O-CB 3.28Å; E717-L720 PolarHBondContact O-N 3.32Å; E717-L720 VanDerWaalsContact O-N 3.13Å; L720-L723 PolarHBondContact O-N 3.32Å; L720-C724 VanDerWaalsContact CD1-SG 3.58Å; L720-C724 WeakPolarHBondContact O-CB 3.35Å; L720-C724 PolarHBondContact O-N 3.47Å; L720-C724 PolarHBondContact O-SG 3.21Å; L720-W742 HydrophobicContact CB-CH2 3.97Å; L720-W742 HydrophobicContact CB-CZ2 3.91Å; L720-W742 HydrophobicContact CB-CZ3 4.48Å; L720-W742 HydrophobicContact CD1-CD2 4.43Å; L720-W742 HydrophobicContact CD1-CE3 3.9Å; L720-W742 HydrophobicContact CD1-CH2 4.01Å; L720-W742 HydrophobicContact CD1-CZ3 3.66Å; L720-W742 HydrophobicContact CD2-CH2 3.83Å; L720-W742 HydrophobicContact CD2-CZ3 4.08Å; L720-W742 HydrophobicContact CG-CH2 4.14Å; L720-W742 HydrophobicContact CG-CZ3 4.28Å; L720-H863 VanDerWaalsContact CD2-CE1 3.47Å; L720-H863 WeakPolarHBondContact CD2-CE1 3.44Å; L720-P864 HydrophobicContact CD2-CB 4.12Å; L720-P864 HydrophobicContact CD2-CG 4Å; L720-P864 HydrophobicContact CG-CB 4.25Å; L720-P864 HydrophobicContact CG-CG 4.39Å; L720-L865 HydrophobicContact CD1-CD1 4.46Å; L720-L865 HydrophobicContact CD1-CD2 3.79Å; L720-L865 HydrophobicContact CD1-CG 4.04Å
721A93.2Very high92Very high65 Ų6545 Ų4554%0.53727%0.266SS..Hα-helixtrans-63.3-4618000000111.6L719 L723 C724 A725L719-A721 VanDerWaalsContact C-N 3.32Å; L719-A721 PolarHBondContact O-N 2.81Å; A721-L723 VanDerWaalsContact C-N 3.35Å; A721-C724 PolarHBondContact O-N 3.47Å; A721-A725 WeakPolarHBondContact O-CB 3.06Å; A721-A725 PolarHBondContact O-N 3.35Å
722D93Very high91.6Very high76 Ų7645.7 Ų45.741%0.40627%0.272SS..Hα-helixtrans-66.9-38.6178.4-62.7-35.6000111.3R710 L719 A725 Y726R710-D722 IonicContact CZ-OD2 3.36Å; R710-D722 VanDerWaalsContact CZ-OD2 3.3Å; R710-D722 IonicContact NH1-OD2 3.5Å; R710-D722 PolarHBondContact NH1-OD2 3.26Å; R710-D722 IonicContact NH2-OD2 3.07Å; R710-D722 PolarHBondContact NH2-OD2 2.91Å; L719-D722 PolarHBondContact O-N 3.33Å; D722-A725 PolarHBondContact O-N 2.75Å; D722-Y726 WeakPolarHBondContact O-CB 3.4Å; D722-Y726 PolarHBondContact O-N 3.12Å
723L94.7Very high91.2Very high2 Ų245.6 Ų45.61%0.0128%0.275CS..Hα-helixtrans-67.4-41.7178-17460.7000112.2C707 L719 L720 A721 Y726 W727 L738 L739 W742C707-L723 HydrophobicContact CB-CD1 4.44Å; L719-L723 HydrophobicContact CG-CB 4.42Å; L719-L723 WeakPolarHBondContact O-CB 3.33Å; L719-L723 PolarHBondContact O-N 3.08Å; L720-L723 PolarHBondContact O-N 3.32Å; A721-L723 VanDerWaalsContact C-N 3.35Å; L723-Y726 PolarHBondContact O-N 3.26Å; L723-W727 WeakPolarHBondContact O-CB 3.46Å; L723-W727 PolarHBondContact O-N 2.79Å; L723-L738 HydrophobicContact CD1-CB 3.67Å; L723-L738 HydrophobicContact CD1-CD1 4.4Å; L723-L739 HydrophobicContact CD2-CD1 3.94Å; L723-L739 HydrophobicContact CG-CD1 4.02Å; L723-W742 HydrophobicContact CD2-CB 3.6Å; L723-W742 HydrophobicContact CD2-CG 3.86Å
724C94.4Very high90.9Very high10 Ų1046 Ų467%0.06827%0.271CS..Hα-helixtrans-65.8-43.8173.8-67.20000111.1L720 A721 Y726 W727 E728 I868L720-C724 VanDerWaalsContact CD1-SG 3.58Å; L720-C724 WeakPolarHBondContact O-CB 3.35Å; L720-C724 PolarHBondContact O-N 3.47Å; L720-C724 PolarHBondContact O-SG 3.21Å; A721-C724 PolarHBondContact O-N 3.47Å; C724-Y726 VanDerWaalsContact C-N 3.34Å; C724-Y726 PolarHBondContact O-N 3.38Å; C724-W727 PolarHBondContact O-N 2.82Å; C724-E728 WeakPolarHBondContact O-CB 3.22Å; C724-E728 WeakPolarHBondContact O-CG 3.39Å; C724-E728 PolarHBondContact O-N 3.15Å; C724-I868 HydrophobicContact CB-CD1 4.3Å
725A91.6Very high90.9Very high51 Ų5144.9 Ų44.942%0.42126%0.259SS..Hα-helixtrans-62.1-41.6176.700000111.7A721 D722 S729A721-A725 WeakPolarHBondContact O-CB 3.06Å; A721-A725 PolarHBondContact O-N 3.35Å; D722-A725 PolarHBondContact O-N 2.75Å; A725-S729 VanDerWaalsContact O-CB 3.31Å; A725-S729 WeakPolarHBondContact O-CB 3.41Å; A725-S729 PolarHBondContact O-N 2.75Å; A725-S729 PolarHBondContact O-OG 2.78Å
726Y92.5Very high91Very high1 Ų142.8 Ų42.80%0.00425%0.25CC..Hα-helixtrans-58.5-53.5173172-133000110.9E700 R703 Y704 D722 L723 C724 E728 S729 Y730 A735 L738E700-Y726 HydrophobicContact CG-CE2 4.32Å; R703-Y726 HydrophobicContact CB-CD2 4.23Å; R703-Y726 HydrophobicContact CB-CE2 4.31Å; R703-Y726 VanDerWaalsContact CD-CD2 3.43Å; R703-Y726 HydrophobicContact CG-CD2 3.69Å; R703-Y726 HydrophobicContact CG-CE2 4.26Å; R703-Y726 HydrophobicContact CG-CG 4.11Å; Y704-Y726 HydrophobicContact CD2-CE1 4.47Å; D722-Y726 WeakPolarHBondContact O-CB 3.4Å; D722-Y726 PolarHBondContact O-N 3.12Å; L723-Y726 PolarHBondContact O-N 3.26Å; C724-Y726 VanDerWaalsContact C-N 3.34Å; C724-Y726 PolarHBondContact O-N 3.38Å; Y726-E728 VanDerWaalsContact C-N 3.34Å; Y726-E728 PolarHBondContact O-N 3.32Å; Y726-S729 WeakPolarHBondContact CA-OG 3.5Å; Y726-S729 PolarHBondContact O-N 2.92Å; Y726-S729 VanDerWaalsContact O-N 3.12Å; Y726-S729 PolarHBondContact O-OG 3.26Å; Y726-Y730 HydrophobicContact CD2-CD2 4.38Å; Y726-Y730 HydrophobicContact CE2-CD2 4.43Å; Y726-Y730 PolarHBondContact O-N 3.07Å; Y726-A735 HydrophobicContact CD1-CB 4.02Å; Y726-A735 HydrophobicContact CE1-CB 3.55Å; Y726-L738 HydrophobicContact CE1-CD1 4.19Å
727W93.1Very high91.1Very high27 Ų2743.3 Ų43.310%0.10225%0.248CC..Hα-helixtrans-60.1-39.4-179.3-173.288.7000113.2L723 C724 P731 A735 D736 L739 V757 I868L723-W727 WeakPolarHBondContact O-CB 3.46Å; L723-W727 PolarHBondContact O-N 2.79Å; C724-W727 PolarHBondContact O-N 2.82Å; W727-P731 WeakPolarHBondContact O-CA 3.41Å; W727-P731 WeakPolarHBondContact O-CB 3.41Å; W727-A735 HydrophobicContact CB-CB 4.44Å; W727-A735 HydrophobicContact CG-CB 4.48Å; W727-D736 PolarHBondContact NE1-OD1 3.02Å; W727-L739 HydrophobicContact CD2-CD2 4.25Å; W727-L739 HydrophobicContact CG-CD2 4.04Å; W727-V757 HydrophobicContact CH2-CG1 3.79Å; W727-V757 HydrophobicContact CZ2-CG1 4.07Å; W727-I868 HydrophobicContact CE3-CD1 4.32Å; W727-I868 HydrophobicContact CH2-CG2 4.14Å; W727-I868 HydrophobicContact CZ3-CG2 4Å
728E90.7Very high91.2Very high95 Ų9535.6 Ų35.644%0.44421%0.212SC..Hα-helixtrans-70.1-34.4176.1-72.6-176.4161.200112.6C724 Y726 R871C724-E728 WeakPolarHBondContact O-CB 3.22Å; C724-E728 WeakPolarHBondContact O-CG 3.39Å; C724-E728 PolarHBondContact O-N 3.15Å; Y726-E728 VanDerWaalsContact C-N 3.34Å; Y726-E728 PolarHBondContact O-N 3.32Å; E728-R871 IonicContact OE1-CZ 2.79Å; E728-R871 IonicContact OE1-NH1 3.69Å; E728-R871 PolarHBondContact OE1-NH1 3.21Å; E728-R871 IonicContact OE1-NH2 3.54Å
729S88.9Confident91.4Very high52 Ų5232 Ų3236%0.36419%0.187SC..Hα-helixtrans-78.1-40.8-179.562.70000113.8R703 A725 Y726R703-S729 PolarHBondContact NH1-OG 3.5Å; A725-S729 VanDerWaalsContact O-CB 3.31Å; A725-S729 WeakPolarHBondContact O-CB 3.41Å; A725-S729 PolarHBondContact O-N 2.75Å; A725-S729 PolarHBondContact O-OG 2.78Å; Y726-S729 WeakPolarHBondContact CA-OG 3.5Å; Y726-S729 PolarHBondContact O-N 2.92Å; Y726-S729 VanDerWaalsContact O-N 3.12Å; Y726-S729 PolarHBondContact O-OG 3.26Å
730Y85.1Confident91.4Very high62 Ų6232 Ų3224%0.24319%0.187CC..SBendtrans-136.180-178.1-60.5-81.2000109.3E700 Y726 S732E700-Y730 HydrophobicContact CG-CG 4.5Å; Y726-Y730 HydrophobicContact CD2-CD2 4.38Å; Y726-Y730 HydrophobicContact CE2-CD2 4.43Å; Y726-Y730 PolarHBondContact O-N 3.07Å; Y730-S732 PolarHBondContact O-N 3.12Å
731P83.4Confident91.3Very high65 Ų6533.5 Ų33.542%0.42219%0.194SC..  trans-71.897.2-179.630.6-36000109.6W727 R761W727-P731 WeakPolarHBondContact O-CA 3.41Å; W727-P731 WeakPolarHBondContact O-CB 3.41Å; P731-R761 VanDerWaalsContact C-NH1 3.3Å; P731-R761 PolarHBondContact O-NH1 3Å
732S87.1Confident91.5Very high22 Ų2230.6 Ų30.615%0.15417%0.169CC..  trans-124.7163.9-179.870.90000111.6E700 Y730 Q734 A735 D736 R761E700-S732 WeakPolarHBondContact OE1-CB 3.26Å; E700-S732 PolarHBondContact OE1-OG 2.66Å; Y730-S732 PolarHBondContact O-N 3.12Å; S732-Q734 PolarHBondContact O-N 2.68Å; S732-A735 PolarHBondContact O-N 3.14Å; S732-A735 VanDerWaalsContact O-N 3.13Å; S732-A735 PolarHBondContact OG-N 3.45Å; S732-D736 VanDerWaalsContact O-CG 3.3Å; S732-D736 PolarHBondContact O-N 2.89Å; S732-R761 PolarHBondContact O-NH2 3.48Å
733T86.3Confident91.6Very high33 Ų3327 Ų2720%0.20215%0.149CC..Hα-helixtrans-60.7-30.8176.6-49.80000111.8A342 Q343 N737A342-T733 HydrophobicContact CB-CG2 4.23Å; A342-T733 WeakPolarHBondContact O-CG2 3.47Å; Q343-T733 HydrophobicContact CG-CG2 4.24Å; T733-N737 WeakPolarHBondContact O-CB 3.44Å; T733-N737 PolarHBondContact O-N 3.27Å; T733-N737 PolarHBondContact O-ND2 3.15Å; T733-N737 PolarHBondContact O-OD1 2.84Å
734Q88.4Confident91.6Very high63 Ų6329.5 Ų29.529%0.29416%0.161SC..Hα-helixtrans-67.1-44.9173.7-73179.6-13.700111.7Y704 S732 N737 L738Y704-Q734 HydrophobicContact CD2-CB 3.77Å; Y704-Q734 HydrophobicContact CD2-CG 4.42Å; Y704-Q734 HydrophobicContact CE2-CB 3.7Å; Y704-Q734 HydrophobicContact CE2-CG 4.13Å; S732-Q734 PolarHBondContact O-N 2.68Å; Q734-N737 PolarHBondContact O-N 2.77Å; Q734-L738 PolarHBondContact O-N 2.82Å
735A91.7Very high91.5Very high0 Ų035.9 Ų35.90%018%0.183CC..Hα-helixtrans-62.2-42.5175.400000111.9Y726 W727 S732 N737 L738 L739Y726-A735 HydrophobicContact CD1-CB 4.02Å; Y726-A735 HydrophobicContact CE1-CB 3.55Å; W727-A735 HydrophobicContact CB-CB 4.44Å; W727-A735 HydrophobicContact CG-CB 4.48Å; S732-A735 PolarHBondContact O-N 3.14Å; S732-A735 VanDerWaalsContact O-N 3.13Å; S732-A735 PolarHBondContact OG-N 3.45Å; A735-N737 VanDerWaalsContact C-N 3.27Å; A735-N737 PolarHBondContact O-N 3.3Å; A735-L738 PolarHBondContact O-N 3.42Å; A735-L739 WeakPolarHBondContact O-CB 3.46Å; A735-L739 PolarHBondContact O-N 2.68Å
736D93.4Very high91.6Very high6 Ų636.7 Ų36.73%0.03218%0.178CC..Hα-helixtrans-55.5-45.6173.3-67.8-18.9000111.1W727 S732 L739 L740 I758 R761W727-D736 PolarHBondContact NE1-OD1 3.02Å; S732-D736 VanDerWaalsContact O-CG 3.3Å; S732-D736 PolarHBondContact O-N 2.89Å; D736-L739 PolarHBondContact O-N 2.73Å; D736-L740 WeakPolarHBondContact O-CB 3.37Å; D736-L740 VanDerWaalsContact O-CG 3.31Å; D736-L740 WeakPolarHBondContact O-CG 3.44Å; D736-L740 PolarHBondContact O-N 3.26Å; D736-I758 HydrophobicContact CB-CD1 3.78Å; D736-I758 HydrophobicContact CB-CG1 4.1Å; D736-I758 HydrophobicContact CB-CG2 4.08Å; D736-I758 VanDerWaalsContact OD2-CG2 3.31Å; D736-I758 WeakPolarHBondContact OD2-CG2 3.47Å; D736-R761 IonicContact OD1-CZ 3.3Å; D736-R761 IonicContact OD1-NE 2.99Å; D736-R761 IonicContact OD1-NH2 3.72Å; D736-R761 PolarHBondContact OD1-NH2 3.48Å; D736-R761 IonicContact OD2-CZ 2.88Å; D736-R761 IonicContact OD2-NH2 3.35Å; D736-R761 PolarHBondContact OD2-NH2 3.4Å
737N91.7Very high91.6Very high30 Ų3037.8 Ų37.816%0.1619%0.185CC..Hα-helixtrans-65.4-43.8-177-70.3-18.3000112.2M346 T733 Q734 A735 L740 Q741M346-N737 HydrophobicContact CE-CB 3.63Å; M346-N737 WeakPolarHBondContact CE-OD1 3.34Å; T733-N737 WeakPolarHBondContact O-CB 3.44Å; T733-N737 PolarHBondContact O-N 3.27Å; T733-N737 PolarHBondContact O-ND2 3.15Å; T733-N737 PolarHBondContact O-OD1 2.84Å; Q734-N737 PolarHBondContact O-N 2.77Å; A735-N737 VanDerWaalsContact C-N 3.27Å; A735-N737 PolarHBondContact O-N 3.3Å; N737-L740 PolarHBondContact O-N 3.45Å; N737-Q741 WeakPolarHBondContact O-CB 3.48Å; N737-Q741 VanDerWaalsContact O-CG 3.25Å; N737-Q741 WeakPolarHBondContact O-CG 3.45Å; N737-Q741 PolarHBondContact O-N 2.94Å
738L93.9Very high91.6Very high2 Ų237.4 Ų37.41%0.0119%0.187CC..Hα-helixtrans-63.2-43.3176.3-66.5-178.3000111.8Y704 C707 A708 L711 L723 Y726 Q734 A735 Q741 W742Y704-L738 HydrophobicContact CD2-CD1 3.61Å; Y704-L738 HydrophobicContact CD2-CG 4.3Å; Y704-L738 HydrophobicContact CE2-CD1 3.7Å; Y704-L738 HydrophobicContact CE2-CD2 4.18Å; Y704-L738 HydrophobicContact CE2-CG 3.9Å; C707-L738 HydrophobicContact CB-CD1 3.83Å; A708-L738 HydrophobicContact CB-CD1 4.34Å; A708-L738 HydrophobicContact CB-CD2 3.91Å; L711-L738 HydrophobicContact CD2-CB 4.42Å; L711-L738 HydrophobicContact CD2-CD2 3.71Å; L723-L738 HydrophobicContact CD1-CB 3.67Å; L723-L738 HydrophobicContact CD1-CD1 4.4Å; Y726-L738 HydrophobicContact CE1-CD1 4.19Å; Q734-L738 PolarHBondContact O-N 2.82Å; A735-L738 PolarHBondContact O-N 3.42Å; L738-Q741 PolarHBondContact O-N 2.92Å; L738-W742 WeakPolarHBondContact O-CB 3.48Å; L738-W742 PolarHBondContact O-N 3.14Å
739L95.3Very high91.8Very high1 Ų134.4 Ų34.41%0.00517%0.173CC..Hα-helixtrans-64-44.1179.1-17164.7000112.2L723 W727 A735 D736 S743 L754 L865 I868L723-L739 HydrophobicContact CD2-CD1 3.94Å; L723-L739 HydrophobicContact CG-CD1 4.02Å; W727-L739 HydrophobicContact CD2-CD2 4.25Å; W727-L739 HydrophobicContact CG-CD2 4.04Å; A735-L739 WeakPolarHBondContact O-CB 3.46Å; A735-L739 PolarHBondContact O-N 2.68Å; D736-L739 PolarHBondContact O-N 2.73Å; L739-S743 WeakPolarHBondContact O-CB 3.46Å; L739-S743 PolarHBondContact O-N 2.83Å; L739-L754 HydrophobicContact CD2-CD2 4.12Å; L739-L754 HydrophobicContact CG-CD1 4.28Å; L739-L865 HydrophobicContact CD1-CD2 3.76Å; L739-L865 HydrophobicContact CG-CD2 4.5Å; L739-I868 HydrophobicContact CD2-CD1 4.47Å
740L95.5Very high92.1Very high0 Ų033.3 Ų33.30%016%0.162CC..Hα-helixtrans-64.8-44.4176.1-74.8177.6000112M346 D736 N737 S743 K744 F751 L754 V755 I758M346-L740 HydrophobicContact CE-CB 3.77Å; M346-L740 HydrophobicContact CE-CD1 3.86Å; M346-L740 HydrophobicContact CE-CG 4.46Å; M346-L740 HydrophobicContact SD-CB 4.15Å; M346-L740 HydrophobicContact SD-CD1 3.91Å; D736-L740 WeakPolarHBondContact O-CB 3.37Å; D736-L740 VanDerWaalsContact O-CG 3.31Å; D736-L740 WeakPolarHBondContact O-CG 3.44Å; D736-L740 PolarHBondContact O-N 3.26Å; N737-L740 PolarHBondContact O-N 3.45Å; L740-S743 PolarHBondContact O-N 3.27Å; L740-K744 VanDerWaalsContact O-CB 3.3Å; L740-K744 WeakPolarHBondContact O-CB 3.49Å; L740-K744 PolarHBondContact O-N 3.41Å; L740-F751 HydrophobicContact CB-CD2 4.42Å; L740-F751 HydrophobicContact CB-CE2 3.87Å; L740-F751 HydrophobicContact CD2-CD2 4.08Å; L740-F751 HydrophobicContact CD2-CE2 3.99Å; L740-F751 HydrophobicContact CD2-CZ 4.42Å; L740-F751 HydrophobicContact CG-CE2 4.45Å; L740-F751 WeakPolarHBondContact O-CD2 3.49Å; L740-F751 WeakPolarHBondContact O-CE2 3.5Å; L740-L754 HydrophobicContact CD2-CB 3.88Å; L740-V755 HydrophobicContact CD1-CG2 4.34Å; L740-V755 HydrophobicContact CD2-CG2 3.63Å; L740-I758 HydrophobicContact CD1-CD1 3.58Å; L740-I758 HydrophobicContact CD2-CD1 3.79Å; L740-I758 HydrophobicContact CG-CD1 3.47Å; L740-I758 VanDerWaalsContact CG-CD1 3.47Å
741Q94.1Very high92.6Very high40 Ų4030.3 Ų30.319%0.18715%0.15CC..Hα-helixtrans-63.2-43.3177.3-76.1178-0.100112M346 L711 N737 L738 K744 R745M346-Q741 HydrophobicContact CE-CG 4.45Å; L711-Q741 HydrophobicContact CD2-CB 3.94Å; N737-Q741 WeakPolarHBondContact O-CB 3.48Å; N737-Q741 VanDerWaalsContact O-CG 3.25Å; N737-Q741 WeakPolarHBondContact O-CG 3.45Å; N737-Q741 PolarHBondContact O-N 2.94Å; L738-Q741 PolarHBondContact O-N 2.92Å; Q741-K744 PolarHBondContact O-N 3.35Å; Q741-R745 PolarHBondContact O-N 3.42Å; Q741-R745 VanDerWaalsContact O-N 3.16Å
742W96.2Very high93.1Very high4 Ų427.2 Ų27.22%0.01513%0.13CC..Hα-helixtrans-60.5-48.9175-170.691.8000111.1L711 E715 G716 L720 L723 L738 K744 R745 H746 C747 L865L711-W742 HydrophobicContact CD1-CB 3.73Å; L711-W742 HydrophobicContact CD1-CG 4.08Å; E715-W742 PolarHBondContact O-NE1 2.78Å; G716-W742 WeakPolarHBondContact O-CZ2 3.47Å; G716-W742 PolarHBondContact O-NE1 3.16Å; L720-W742 HydrophobicContact CB-CH2 3.97Å; L720-W742 HydrophobicContact CB-CZ2 3.91Å; L720-W742 HydrophobicContact CB-CZ3 4.48Å; L720-W742 HydrophobicContact CD1-CD2 4.43Å; L720-W742 HydrophobicContact CD1-CE3 3.9Å; L720-W742 HydrophobicContact CD1-CH2 4.01Å; L720-W742 HydrophobicContact CD1-CZ3 3.66Å; L720-W742 HydrophobicContact CD2-CH2 3.83Å; L720-W742 HydrophobicContact CD2-CZ3 4.08Å; L720-W742 HydrophobicContact CG-CH2 4.14Å; L720-W742 HydrophobicContact CG-CZ3 4.28Å; L723-W742 HydrophobicContact CD2-CB 3.6Å; L723-W742 HydrophobicContact CD2-CG 3.86Å; L738-W742 WeakPolarHBondContact O-CB 3.48Å; L738-W742 PolarHBondContact O-N 3.14Å; W742-K744 PolarHBondContact O-N 2.96Å; W742-R745 PolarHBondContact O-N 3.33Å; W742-R745 VanDerWaalsContact O-N 3.11Å; W742-H746 AromaticContact CD1-CD2 3.67Å; W742-H746 HydrophobicContact CD2-CB 4.33Å; W742-H746 AromaticContact CD2-CD2 3.95Å; W742-H746 AromaticContact CE2-CD2 3.6Å; W742-H746 AromaticContact CE2-CG 3.97Å; W742-H746 HydrophobicContact CE3-CB 4.39Å; W742-H746 AromaticContact CG-CD2 3.97Å; W742-H746 HydrophobicContact CH2-CB 3.91Å; W742-H746 HydrophobicContact CZ2-CB 3.84Å; W742-H746 HydrophobicContact CZ3-CB 4.2Å; W742-H746 AromaticContact NE1-CD2 3.45Å; W742-H746 PolarHBondContact NE1-CD2 3.1Å; W742-H746 AromaticContact NE1-NE2 4Å; W742-H746 PolarHBondContact O-CD2 3.06Å; W742-H746 PolarHBondContact O-N 3.43Å; W742-C747 WeakPolarHBondContact CZ3-SG 3.42Å; W742-L865 HydrophobicContact CZ3-CD1 4.04Å
743S95.8Very high93.5Very high0 Ų026.2 Ų26.20%012%0.123CC..Hα-helixtrans-60.8-43.2177.9172.50000111.9L739 L740 R745 H746 C747 P748 F751L739-S743 WeakPolarHBondContact O-CB 3.46Å; L739-S743 PolarHBondContact O-N 2.83Å; L740-S743 PolarHBondContact O-N 3.27Å; S743-R745 PolarHBondContact O-N 2.92Å; S743-H746 PolarHBondContact O-N 3.23Å; S743-C747 CarbonylContact O-C 3.48Å; S743-C747 WeakPolarHBondContact O-CA 3.5Å; S743-C747 PolarHBondContact O-N 3.25Å; S743-C747 VanDerWaalsContact O-O 3.12Å; S743-C747 PolarHBondContact OG-O 3.1Å; S743-P748 WeakPolarHBondContact O-CA 3.34Å; S743-P748 VanDerWaalsContact O-N 3.08Å; S743-F751 WeakPolarHBondContact OG-CA 3.44Å; S743-F751 PolarHBondContact OG-N 3.49Å
744K94.1Very high93.9Very high56 Ų5624.7 Ų24.724%0.24311%0.113CC..Hα-helixtrans-58.3-31.5176.6-176.7173.8-178.4-173.30112.8L740 Q741 W742 F751 E787 I788L740-K744 VanDerWaalsContact O-CB 3.3Å; L740-K744 WeakPolarHBondContact O-CB 3.49Å; L740-K744 PolarHBondContact O-N 3.41Å; Q741-K744 PolarHBondContact O-N 3.35Å; W742-K744 PolarHBondContact O-N 2.96Å; K744-F751 HydrophobicContact CB-CD2 3.73Å; K744-F751 HydrophobicContact CB-CE2 3.84Å; K744-F751 HydrophobicContact CD-CE2 4.25Å; K744-F751 HydrophobicContact CG-CE2 4.43Å; K744-E787 VanDerWaalsContact NZ-CD 3.34Å; K744-E787 IonicContact NZ-OE1 3.96Å; K744-E787 PolarHBondContact NZ-OE1 3.08Å; K744-E787 IonicContact NZ-OE2 3.85Å; K744-I788 HydrophobicContact CG-CD1 3.91Å
745R92.4Very high94.2Very high143 Ų14321.7 Ų21.754%0.5410%0.099SC..Hα-helixtrans-86-44.1-179.3-173173.3-176.5164.90.2112.9Q741 W742 S743Q741-R745 PolarHBondContact O-N 3.42Å; Q741-R745 VanDerWaalsContact O-N 3.16Å; W742-R745 PolarHBondContact O-N 3.33Å; W742-R745 VanDerWaalsContact O-N 3.11Å; S743-R745 PolarHBondContact O-N 2.92Å
746H93.1Very high94.3Very high69 Ų6921.7 Ų21.732%0.31910%0.099SC..Hα-helixtrans-106.7-33.7-167.8-64.5-73000114.3W742 S743W742-H746 AromaticContact CD1-CD2 3.67Å; W742-H746 HydrophobicContact CD2-CB 4.33Å; W742-H746 AromaticContact CD2-CD2 3.95Å; W742-H746 AromaticContact CE2-CD2 3.6Å; W742-H746 AromaticContact CE2-CG 3.97Å; W742-H746 HydrophobicContact CE3-CB 4.39Å; W742-H746 AromaticContact CG-CD2 3.97Å; W742-H746 HydrophobicContact CH2-CB 3.91Å; W742-H746 HydrophobicContact CZ2-CB 3.84Å; W742-H746 HydrophobicContact CZ3-CB 4.2Å; W742-H746 AromaticContact NE1-CD2 3.45Å; W742-H746 PolarHBondContact NE1-CD2 3.1Å; W742-H746 AromaticContact NE1-NE2 4Å; W742-H746 PolarHBondContact O-CD2 3.06Å; W742-H746 PolarHBondContact O-N 3.43Å; S743-H746 PolarHBondContact O-N 3.23Å
747C93.1Very high94.3Very high23 Ų2321.8 Ų21.816%0.15510%0.1CC..  trans-144.670.1-177.864.60000111W742 S743 D749 Y750 L865W742-C747 WeakPolarHBondContact CZ3-SG 3.42Å; S743-C747 CarbonylContact O-C 3.48Å; S743-C747 WeakPolarHBondContact O-CA 3.5Å; S743-C747 PolarHBondContact O-N 3.25Å; S743-C747 VanDerWaalsContact O-O 3.12Å; S743-C747 PolarHBondContact OG-O 3.1Å; C747-D749 PolarHBondContact O-N 3.11Å; C747-D749 VanDerWaalsContact O-N 3.11Å; C747-Y750 HydrophobicContact CB-CD2 3.99Å; C747-Y750 PolarHBondContact O-N 3.34Å; C747-Y750 VanDerWaalsContact O-N 3.07Å; C747-L865 WeakPolarHBondContact SG-CD1 3.43Å
748P94.5Very high94.3Very high20 Ų2020.5 Ų20.513%0.139%0.093CC..Hα-helixtrans-60.9-26-168.924-35.6000113.5S743 Y750 F751 I788 K793 L794S743-P748 WeakPolarHBondContact O-CA 3.34Å; S743-P748 VanDerWaalsContact O-N 3.08Å; P748-Y750 VanDerWaalsContact C-N 3.3Å; P748-Y750 PolarHBondContact O-N 2.82Å; P748-F751 WeakPolarHBondContact O-CB 3.44Å; P748-F751 PolarHBondContact O-N 3.09Å; P748-I788 HydrophobicContact CB-CD1 4.05Å; P748-K793 HydrophobicContact CB-CB 3.95Å; P748-K793 HydrophobicContact CG-CB 3.97Å; P748-K793 WeakPolarHBondContact CG-O 3.43Å; P748-L794 HydrophobicContact CB-CD2 4.37Å; P748-L794 VanDerWaalsContact O-CD2 3.28Å; P748-L794 WeakPolarHBondContact O-CD2 3.27Å
749D93.1Very high94.2Very high31 Ų3120.5 Ų20.517%0.1669%0.093CC..Hα-helixtrans-64.4-32177.5-67.7-66.3000113C747 F751 S795 F829 Y833C747-D749 PolarHBondContact O-N 3.11Å; C747-D749 VanDerWaalsContact O-N 3.11Å; D749-F751 PolarHBondContact O-N 3.4Å; D749-S795 VanDerWaalsContact CG-OG 3.25Å; D749-S795 WeakPolarHBondContact OD1-CA 3.35Å; D749-S795 WeakPolarHBondContact OD1-CB 3.21Å; D749-S795 PolarHBondContact OD1-N 2.92Å; D749-S795 PolarHBondContact OD1-OG 3.43Å; D749-S795 WeakPolarHBondContact OD2-CB 3.4Å; D749-F829 HydrophobicContact CB-CE1 3.81Å; D749-F829 HydrophobicContact CB-CZ 3.45Å; D749-F829 VanDerWaalsContact CB-CZ 3.45Å; D749-Y833 VanDerWaalsContact C-OH 3.25Å; D749-Y833 WeakPolarHBondContact CA-OH 3.45Å; D749-Y833 WeakPolarHBondContact CB-OH 3.26Å; D749-Y833 PolarHBondContact O-OH 2.86Å
750Y95.3Very high93.9Very high29 Ų2921.3 Ų21.311%0.11410%0.1CC..Hα-helixtrans-72.5-17.5174-75.2-82.4000113.3C747 P748 A752 L753 L754 F829 L832 L865 E866C747-Y750 HydrophobicContact CB-CD2 3.99Å; C747-Y750 PolarHBondContact O-N 3.34Å; C747-Y750 VanDerWaalsContact O-N 3.07Å; P748-Y750 VanDerWaalsContact C-N 3.3Å; P748-Y750 PolarHBondContact O-N 2.82Å; Y750-A752 PolarHBondContact O-N 3.24Å; Y750-L753 PolarHBondContact O-N 3.1Å; Y750-L754 WeakPolarHBondContact O-CG 3.31Å; Y750-L754 PolarHBondContact O-N 2.92Å; Y750-F829 HydrophobicContact CD1-CE2 4.14Å; Y750-F829 HydrophobicContact CD2-CE2 4.14Å; Y750-F829 HydrophobicContact CD2-CZ 4.45Å; Y750-F829 HydrophobicContact CE1-CD2 4.22Å; Y750-F829 AromaticContact CE1-CE2 3.68Å; Y750-F829 HydrophobicContact CE1-CE2 3.68Å; Y750-F829 HydrophobicContact CE2-CD2 4.42Å; Y750-F829 AromaticContact CE2-CE2 3.69Å; Y750-F829 HydrophobicContact CE2-CE2 3.69Å; Y750-F829 HydrophobicContact CE2-CZ 4.24Å; Y750-F829 HydrophobicContact CG-CE2 4.36Å; Y750-F829 AromaticContact CZ-CD2 3.87Å; Y750-F829 AromaticContact CZ-CE2 3.43Å; Y750-F829 VanDerWaalsContact CZ-CE2 3.43Å; Y750-L832 HydrophobicContact CD1-CD2 4.37Å; Y750-L832 HydrophobicContact CE1-CD2 3.86Å; Y750-L865 HydrophobicContact CD1-CB 3.75Å; Y750-L865 HydrophobicContact CD2-CD1 4.17Å; Y750-L865 HydrophobicContact CE1-CB 4.07Å; Y750-L865 HydrophobicContact CG-CB 4.01Å; Y750-L865 HydrophobicContact CG-CD1 3.95Å; Y750-E866 HydrophobicContact CE1-CB 4.19Å
751F96Very high93.5Very high0 Ų025.1 Ų25.10%011%0.114CC..Hα-helixtrans-57.4-51.4-171.1-176.6-89.7000111.8L740 S743 K744 P748 D749 L753 L754 V755 L784 I788L740-F751 HydrophobicContact CB-CD2 4.42Å; L740-F751 HydrophobicContact CB-CE2 3.87Å; L740-F751 HydrophobicContact CD2-CD2 4.08Å; L740-F751 HydrophobicContact CD2-CE2 3.99Å; L740-F751 HydrophobicContact CD2-CZ 4.42Å; L740-F751 HydrophobicContact CG-CE2 4.45Å; L740-F751 WeakPolarHBondContact O-CD2 3.49Å; L740-F751 WeakPolarHBondContact O-CE2 3.5Å; S743-F751 WeakPolarHBondContact OG-CA 3.44Å; S743-F751 PolarHBondContact OG-N 3.49Å; K744-F751 HydrophobicContact CB-CD2 3.73Å; K744-F751 HydrophobicContact CB-CE2 3.84Å; K744-F751 HydrophobicContact CD-CE2 4.25Å; K744-F751 HydrophobicContact CG-CE2 4.43Å; P748-F751 WeakPolarHBondContact O-CB 3.44Å; P748-F751 PolarHBondContact O-N 3.09Å; D749-F751 PolarHBondContact O-N 3.4Å; F751-L753 VanDerWaalsContact C-N 3.27Å; F751-L753 PolarHBondContact O-N 3.44Å; F751-L754 PolarHBondContact O-N 3.16Å; F751-V755 HydrophobicContact CD1-CG2 4.05Å; F751-V755 HydrophobicContact CE1-CG2 3.8Å; F751-V755 HydrophobicContact CZ-CG2 4.28Å; F751-V755 WeakPolarHBondContact O-CG2 3.21Å; F751-V755 PolarHBondContact O-N 3.26Å; F751-L784 HydrophobicContact CE1-CB 4.15Å; F751-L784 HydrophobicContact CZ-CD2 4.39Å; F751-I788 HydrophobicContact CB-CD1 4.32Å; F751-I788 HydrophobicContact CB-CG1 4.15Å; F751-I788 HydrophobicContact CD1-CB 3.64Å; F751-I788 HydrophobicContact CD1-CD1 4.31Å; F751-I788 HydrophobicContact CD1-CG1 3.89Å; F751-I788 HydrophobicContact CD1-CG2 3.68Å; F751-I788 HydrophobicContact CE1-CB 3.9Å; F751-I788 HydrophobicContact CE1-CG2 4.08Å; F751-I788 HydrophobicContact CG-CB 4.34Å; F751-I788 HydrophobicContact CG-CD1 4.17Å; F751-I788 HydrophobicContact CG-CG1 4.11Å
752A94.3Very high93.2Very high0 Ų024.1 Ų24.10%011%0.111CC..Hα-helixtrans-61.6-37.3-17800000112.4Y750 V755 M756 W785 F801 I802Y750-A752 PolarHBondContact O-N 3.24Å; A752-V755 PolarHBondContact O-N 2.74Å; A752-M756 PolarHBondContact O-N 2.95Å; A752-W785 PolarHBondContact O-NE1 3.22Å; A752-F801 HydrophobicContact CB-CD1 4.28Å; A752-F801 HydrophobicContact CB-CE1 4.12Å; A752-I802 HydrophobicContact CB-CD1 4.06Å; A752-I802 HydrophobicContact CB-CG1 4.15Å
753L95.1Very high92.8Very high0 Ų024 Ų240%011%0.111CC..Hα-helixtrans-70.3-40.4177.6-59.5175.1000111.5Y750 F751 V755 M756 V757 F801 L832 Y833 A836 V869Y750-L753 PolarHBondContact O-N 3.1Å; F751-L753 VanDerWaalsContact C-N 3.27Å; F751-L753 PolarHBondContact O-N 3.44Å; L753-V755 VanDerWaalsContact C-N 3.33Å; L753-M756 HydrophobicContact CD2-SD 4.35Å; L753-M756 WeakPolarHBondContact O-CB 3.28Å; L753-M756 PolarHBondContact O-N 3.39Å; L753-M756 VanDerWaalsContact O-N 3.16Å; L753-V757 WeakPolarHBondContact O-CG2 3.5Å; L753-V757 PolarHBondContact O-N 2.86Å; L753-V757 VanDerWaalsContact O-N 3.11Å; L753-F801 HydrophobicContact CD2-CE1 4.26Å; L753-F801 HydrophobicContact CD2-CZ 4.09Å; L753-L832 HydrophobicContact CD1-CD2 3.59Å; L753-L832 HydrophobicContact CD1-CG 3.91Å; L753-Y833 HydrophobicContact CD1-CD1 4.31Å; L753-Y833 HydrophobicContact CD1-CE1 4.1Å; L753-Y833 HydrophobicContact CD1-CE2 4.45Å; L753-Y833 HydrophobicContact CD2-CD1 4.02Å; L753-Y833 HydrophobicContact CD2-CE1 4.12Å; L753-Y833 HydrophobicContact CG-CD1 4.38Å; L753-Y833 HydrophobicContact CG-CE1 4.06Å; L753-A836 HydrophobicContact CD2-CB 3.48Å; L753-A836 VanDerWaalsContact CD2-CB 3.48Å; L753-V869 HydrophobicContact CB-CG1 4Å; L753-V869 HydrophobicContact CB-CG2 3.84Å; L753-V869 HydrophobicContact CD1-CG1 4.44Å
754L95.6Very high92.4Very high1 Ų126.8 Ų26.81%0.00513%0.128CC..Hα-helixtrans-65-36.8174.8-70.5171.8000112L739 L740 Y750 F751 M756 V757 I758 L865 I868 V869L739-L754 HydrophobicContact CD2-CD2 4.12Å; L739-L754 HydrophobicContact CG-CD1 4.28Å; L740-L754 HydrophobicContact CD2-CB 3.88Å; Y750-L754 WeakPolarHBondContact O-CG 3.31Å; Y750-L754 PolarHBondContact O-N 2.92Å; F751-L754 PolarHBondContact O-N 3.16Å; L754-M756 PolarHBondContact O-N 3.35Å; L754-V757 WeakPolarHBondContact O-CB 3.45Å; L754-V757 PolarHBondContact O-N 3.35Å; L754-V757 VanDerWaalsContact O-N 3.09Å; L754-I758 WeakPolarHBondContact O-CG1 3.27Å; L754-I758 PolarHBondContact O-N 3.26Å; L754-L865 HydrophobicContact CD1-CD1 4.19Å; L754-L865 HydrophobicContact CD1-CD2 4.11Å; L754-L865 HydrophobicContact CD2-CD2 4.19Å; L754-I868 HydrophobicContact CD2-CG2 4.24Å; L754-V869 HydrophobicContact CD2-CG2 4.19Å
755V94.7Very high91.9Very high0 Ų025.7 Ų25.70%013%0.125CC..Hα-helixtrans-57.9-40.5172.5175.10000110.6L740 F751 A752 L753 I758 E759 T781 L784L740-V755 HydrophobicContact CD1-CG2 4.34Å; L740-V755 HydrophobicContact CD2-CG2 3.63Å; F751-V755 HydrophobicContact CD1-CG2 4.05Å; F751-V755 HydrophobicContact CE1-CG2 3.8Å; F751-V755 HydrophobicContact CZ-CG2 4.28Å; F751-V755 WeakPolarHBondContact O-CG2 3.21Å; F751-V755 PolarHBondContact O-N 3.26Å; A752-V755 PolarHBondContact O-N 2.74Å; L753-V755 VanDerWaalsContact C-N 3.33Å; V755-I758 PolarHBondContact O-N 3.28Å; V755-E759 VanDerWaalsContact O-CB 3.29Å; V755-E759 WeakPolarHBondContact O-CB 3.49Å; V755-E759 PolarHBondContact O-N 2.9Å; V755-T781 HydrophobicContact CG1-CG2 3.6Å; V755-L784 HydrophobicContact CG1-CB 4.35Å; V755-L784 HydrophobicContact CG1-CD1 3.96Å; V755-L784 HydrophobicContact CG2-CB 4.12Å; V755-L784 HydrophobicContact CG2-CD1 3.99Å
756M92.4Very high91.2Very high1 Ų120.9 Ų20.91%0.00512%0.116CC..Hα-helixtrans-64.5-39.4174.3-62.4172.458.900112.7A752 L753 L754 I758 E759 A760 P775 W785 F801 A836 V840 M872A752-M756 PolarHBondContact O-N 2.95Å; L753-M756 HydrophobicContact CD2-SD 4.35Å; L753-M756 WeakPolarHBondContact O-CB 3.28Å; L753-M756 PolarHBondContact O-N 3.39Å; L753-M756 VanDerWaalsContact O-N 3.16Å; L754-M756 PolarHBondContact O-N 3.35Å; M756-I758 VanDerWaalsContact C-N 3.34Å; M756-E759 PolarHBondContact O-N 3.49Å; M756-A760 WeakPolarHBondContact O-CB 3.4Å; M756-A760 PolarHBondContact O-N 2.62Å; M756-P775 HydrophobicContact CE-CB 4Å; M756-W785 HydrophobicContact CG-CH2 4.4Å; M756-W785 HydrophobicContact CG-CZ2 3.63Å; M756-W785 HydrophobicContact SD-CZ2 4.06Å; M756-F801 HydrophobicContact SD-CE1 4.47Å; M756-F801 HydrophobicContact SD-CZ 3.86Å; M756-A836 HydrophobicContact CE-CB 4.23Å; M756-A836 HydrophobicContact SD-CB 4.24Å; M756-V840 HydrophobicContact CE-CG2 3.45Å; M756-V840 VanDerWaalsContact CE-CG2 3.45Å; M756-V840 HydrophobicContact SD-CG2 4.02Å; M756-M872 HydrophobicContact CB-CE 3.93Å; M756-M872 HydrophobicContact CE-CE 4.42Å
757V93.1Very high90.7Very high8 Ų824 Ų245%0.04813%0.131CC..Hα-helixtrans-61.5-47.1177.5176.50000110.5W727 L753 L754 A760 R761 I868 V869 M872W727-V757 HydrophobicContact CH2-CG1 3.79Å; W727-V757 HydrophobicContact CZ2-CG1 4.07Å; L753-V757 WeakPolarHBondContact O-CG2 3.5Å; L753-V757 PolarHBondContact O-N 2.86Å; L753-V757 VanDerWaalsContact O-N 3.11Å; L754-V757 WeakPolarHBondContact O-CB 3.45Å; L754-V757 PolarHBondContact O-N 3.35Å; L754-V757 VanDerWaalsContact O-N 3.09Å; V757-A760 PolarHBondContact O-N 3.36Å; V757-R761 PolarHBondContact O-N 2.99Å; V757-R761 VanDerWaalsContact O-N 3.1Å; V757-I868 HydrophobicContact CG1-CG2 3.82Å; V757-I868 HydrophobicContact CG2-CG2 4.32Å; V757-V869 HydrophobicContact CG2-CB 4.31Å; V757-V869 HydrophobicContact CG2-CG2 3.94Å; V757-M872 HydrophobicContact CB-CB 4.48Å; V757-M872 HydrophobicContact CG1-CB 4.27Å; V757-M872 HydrophobicContact CG2-CB 3.91Å; V757-M872 HydrophobicContact CG2-CE 3.72Å; V757-M872 HydrophobicContact CG2-CG 4.23Å
758I92.7Very high90.2Very high3 Ų325.1 Ų25.12%0.01515%0.145CC..Hα-helixtrans-64.8-45.1180-69.8163.1000110.4D736 L740 L754 V755 M756 A760 R761 S762D736-I758 HydrophobicContact CB-CD1 3.78Å; D736-I758 HydrophobicContact CB-CG1 4.1Å; D736-I758 HydrophobicContact CB-CG2 4.08Å; D736-I758 VanDerWaalsContact OD2-CG2 3.31Å; D736-I758 WeakPolarHBondContact OD2-CG2 3.47Å; L740-I758 HydrophobicContact CD1-CD1 3.58Å; L740-I758 HydrophobicContact CD2-CD1 3.79Å; L740-I758 HydrophobicContact CG-CD1 3.47Å; L740-I758 VanDerWaalsContact CG-CD1 3.47Å; L754-I758 WeakPolarHBondContact O-CG1 3.27Å; L754-I758 PolarHBondContact O-N 3.26Å; V755-I758 PolarHBondContact O-N 3.28Å; M756-I758 VanDerWaalsContact C-N 3.34Å; I758-A760 VanDerWaalsContact C-N 3.35Å; I758-A760 PolarHBondContact O-N 2.95Å; I758-R761 PolarHBondContact O-N 3.06Å; I758-S762 PolarHBondContact O-N 3.35Å; I758-S762 PolarHBondContact O-OG 3.31Å
759E91.4Very high89.8Confident2 Ų229.7 Ų29.71%0.00917%0.165CC..Hα-helixtrans-56.8-48.9174.3-179.1174.6-15500110.9V755 M756 R761 S762 M763 Y773 G776 S778 T781V755-E759 VanDerWaalsContact O-CB 3.29Å; V755-E759 WeakPolarHBondContact O-CB 3.49Å; V755-E759 PolarHBondContact O-N 2.9Å; M756-E759 PolarHBondContact O-N 3.49Å; E759-R761 PolarHBondContact O-N 2.92Å; E759-S762 WeakPolarHBondContact CA-OG 3.33Å; E759-S762 PolarHBondContact O-N 3.15Å; E759-S762 VanDerWaalsContact O-N 3.08Å; E759-S762 PolarHBondContact O-OG 2.99Å; E759-M763 HydrophobicContact CG-CE 3.59Å; E759-M763 HydrophobicContact CG-CG 4.11Å; E759-M763 WeakPolarHBondContact O-CG 3.31Å; E759-M763 PolarHBondContact O-N 3.22Å; E759-Y773 HydrophobicContact CG-CD2 4.38Å; E759-Y773 HydrophobicContact CG-CE2 3.93Å; E759-G776 PolarHBondContact OE2-N 3.16Å; E759-S778 WeakPolarHBondContact OE1-CB 3.39Å; E759-S778 PolarHBondContact OE1-OG 2.89Å; E759-T781 PolarHBondContact OE1-OG1 3.43Å; E759-T781 PolarHBondContact OE2-OG1 2.91Å
760A89.2Confident89.3Confident17 Ų1732.2 Ų32.214%0.1418%0.183CC..Hα-helixtrans-60.3-34.5-179.800000114.2M756 V757 I758 Y773 M872M756-A760 WeakPolarHBondContact O-CB 3.4Å; M756-A760 PolarHBondContact O-N 2.62Å; V757-A760 PolarHBondContact O-N 3.36Å; I758-A760 VanDerWaalsContact C-N 3.35Å; I758-A760 PolarHBondContact O-N 2.95Å; A760-Y773 WeakPolarHBondContact CA-OH 3.35Å; A760-Y773 WeakPolarHBondContact CB-OH 3.18Å; A760-M872 HydrophobicContact CB-CG 3.92Å; A760-M872 HydrophobicContact CB-SD 4.3Å
761R88Confident88.9Confident81 Ų8132 Ų3231%0.30618%0.184SC..Hα-helixtrans-72.3-37.7175.8-173.2-179.774.489.4-10.4112.1P731 S732 D736 V757 I758 E759P731-R761 VanDerWaalsContact C-NH1 3.3Å; P731-R761 PolarHBondContact O-NH1 3Å; S732-R761 PolarHBondContact O-NH2 3.48Å; D736-R761 IonicContact OD1-CZ 3.3Å; D736-R761 IonicContact OD1-NE 2.99Å; D736-R761 IonicContact OD1-NH2 3.72Å; D736-R761 PolarHBondContact OD1-NH2 3.48Å; D736-R761 IonicContact OD2-CZ 2.88Å; D736-R761 IonicContact OD2-NH2 3.35Å; D736-R761 PolarHBondContact OD2-NH2 3.4Å; V757-R761 PolarHBondContact O-N 2.99Å; V757-R761 VanDerWaalsContact O-N 3.1Å; I758-R761 PolarHBondContact O-N 3.06Å; E759-R761 PolarHBondContact O-N 2.92Å
762S86.9Confident88.2Confident18 Ų1840.8 Ų40.813%0.12622%0.222CC..Hα-helixtrans-77.4-19.1-179.159.80000114T427 I758 E759 V764T427-S762 VanDerWaalsContact CG2-O 3.24Å; T427-S762 WeakPolarHBondContact CG2-O 3.31Å; I758-S762 PolarHBondContact O-N 3.35Å; I758-S762 PolarHBondContact O-OG 3.31Å; E759-S762 WeakPolarHBondContact CA-OG 3.33Å; E759-S762 PolarHBondContact O-N 3.15Å; E759-S762 VanDerWaalsContact O-N 3.08Å; E759-S762 PolarHBondContact O-OG 2.99Å; S762-V764 PolarHBondContact O-N 2.83Å
763M88.5Confident87.6Confident3 Ų342.1 Ų42.12%0.01523%0.227CC..  trans-81.364.8-175.7-68.5-76.7179.800112.5T427 L428 E759 L771 Y773T427-M763 HydrophobicContact CG2-SD 4.33Å; T427-M763 WeakPolarHBondContact O-CE 3.46Å; L428-M763 HydrophobicContact CD2-SD 3.98Å; E759-M763 HydrophobicContact CG-CE 3.59Å; E759-M763 HydrophobicContact CG-CG 4.11Å; E759-M763 WeakPolarHBondContact O-CG 3.31Å; E759-M763 PolarHBondContact O-N 3.22Å; M763-L771 PolarHBondContact O-N 3.25Å; M763-Y773 HydrophobicContact CB-CD1 3.34Å; M763-Y773 HydrophobicContact CB-CD2 4.47Å; M763-Y773 HydrophobicContact CB-CE1 3.32Å; M763-Y773 HydrophobicContact CB-CE2 4.47Å; M763-Y773 HydrophobicContact CB-CG 3.99Å; M763-Y773 HydrophobicContact CE-CD2 4.05Å; M763-Y773 HydrophobicContact CE-CG 4.34Å; M763-Y773 HydrophobicContact CG-CD1 3.53Å; M763-Y773 HydrophobicContact CG-CD2 3.75Å; M763-Y773 HydrophobicContact CG-CE1 3.63Å; M763-Y773 HydrophobicContact CG-CE2 3.86Å; M763-Y773 HydrophobicContact CG-CG 3.64Å; M763-Y773 HydrophobicContact SD-CD1 4.12Å; M763-Y773 HydrophobicContact SD-CD2 4.07Å; M763-Y773 HydrophobicContact SD-CG 3.78Å
764V86.3Confident86.9Confident57 Ų5743.2 Ų43.235%0.34523%0.234SC..BIsolated β-bridgetrans-127.9149.3175.7-64.70000110.9S762 Q769S762-V764 PolarHBondContact O-N 2.83Å; V764-Q769 CarbonylContact C-O 2.91Å; V764-Q769 WeakPolarHBondContact CA-O 3.47Å
765D83.8Confident86.2Confident33 Ų3343.6 Ų43.618%0.17624%0.236CC..  trans-79.6-174.8177.47310.1000112.6Q767 G768 Q769 L771D765-Q767 PolarHBondContact O-N 3.4Å; D765-Q767 VanDerWaalsContact OD1-C 3.27Å; D765-Q767 VanDerWaalsContact OD1-CA 3.29Å; D765-Q767 WeakPolarHBondContact OD1-CA 3.45Å; D765-Q767 WeakPolarHBondContact OD1-CB 3.19Å; D765-Q767 PolarHBondContact OD1-N 3.45Å; D765-G768 PolarHBondContact O-N 3.08Å; D765-G768 PolarHBondContact OD1-N 2.88Å; D765-Q769 PolarHBondContact N-O 3.23Å; D765-Q769 PolarHBondContact OD1-N 2.82Å; D765-Q769 WeakPolarHBondContact OD2-CB 3.4Å; D765-L771 HydrophobicContact CB-CD2 3.8Å; D765-L771 HydrophobicContact CB-CG 4.31Å
766A78.4Confident85.7Confident43 Ų4343.9 Ų43.936%0.35524%0.239SC..THydrogen-bonded Turntrans-60.9-24.4178.300000114
767Q82.3Confident85.2Confident135 Ų13547.7 Ų47.763%0.63126%0.257SS*.THydrogen-bonded Turntrans-96.74.2178.5-65.776.828.800112.3D765 Q769D765-Q767 PolarHBondContact O-N 3.4Å; D765-Q767 VanDerWaalsContact OD1-C 3.27Å; D765-Q767 VanDerWaalsContact OD1-CA 3.29Å; D765-Q767 WeakPolarHBondContact OD1-CA 3.45Å; D765-Q767 WeakPolarHBondContact OD1-CB 3.19Å; D765-Q767 PolarHBondContact OD1-N 3.45Å; Q767-Q769 VanDerWaalsContact C-N 3.27Å; Q767-Q769 HydrophobicContact CB-CG 4.42Å; Q767-Q769 PolarHBondContact O-N 3.02Å
768G82.4Confident85Confident45 Ų4547.5 Ų47.546%0.46426%0.256SS..SBendtrans74.912.7-17700000114D765D765-G768 PolarHBondContact O-N 3.08Å; D765-G768 PolarHBondContact OD1-N 2.88Å
769Q85.3Confident84.9Confident117 Ų11747.3 Ų47.355%0.54726%0.255SS..PPolyproline II helixtrans-78.2145.5174-58.1-57.3-59.200110.7V764 D765 Q767 L771V764-Q769 CarbonylContact C-O 2.91Å; V764-Q769 WeakPolarHBondContact CA-O 3.47Å; D765-Q769 PolarHBondContact N-O 3.23Å; D765-Q769 PolarHBondContact OD1-N 2.82Å; D765-Q769 WeakPolarHBondContact OD2-CB 3.4Å; Q767-Q769 VanDerWaalsContact C-N 3.27Å; Q767-Q769 HydrophobicContact CB-CG 4.42Å; Q767-Q769 PolarHBondContact O-N 3.02Å; Q769-L771 PolarHBondContact O-N 3.49Å
770P84.4Confident85Confident83 Ų8347.7 Ų47.754%0.53926%0.256SS..BIsolated β-bridgetrans-60.9128.4177.5-21.432.6000112.1
771L85.2Confident85.1Confident24 Ų2446.9 Ų46.913%0.12625%0.25CC..PPolyproline II helixtrans-74.8149.6170.4-69.6171.6000110.5E424 T427 L428 M763 D765 Q769 Y773E424-L771 HydrophobicContact CG-CD2 4.16Å; T427-L771 HydrophobicContact CG2-CD1 3.79Å; L428-L771 HydrophobicContact CD2-CB 4.45Å; L428-L771 HydrophobicContact CD2-CD1 4.43Å; L428-L771 HydrophobicContact CG-CD1 4.48Å; M763-L771 PolarHBondContact O-N 3.25Å; D765-L771 HydrophobicContact CB-CD2 3.8Å; D765-L771 HydrophobicContact CB-CG 4.31Å; Q769-L771 PolarHBondContact O-N 3.49Å; L771-Y773 WeakPolarHBondContact O-CD1 3.42Å; L771-Y773 PolarHBondContact O-N 2.97Å
772K81.5Confident85.3Confident186 Ų18644.6 Ų44.681%0.80924%0.241SC*.  trans-76.4107.8169.5-171.6174.2-176.6172.60109.3
773Y83.4Confident85.6Confident28 Ų2843.8 Ų43.811%0.1124%0.236CC..  trans-145.6156177.480.8-77.4000110.8E759 A760 M763 L771 P775 K876E759-Y773 HydrophobicContact CG-CD2 4.38Å; E759-Y773 HydrophobicContact CG-CE2 3.93Å; A760-Y773 WeakPolarHBondContact CA-OH 3.35Å; A760-Y773 WeakPolarHBondContact CB-OH 3.18Å; M763-Y773 HydrophobicContact CB-CD1 3.34Å; M763-Y773 HydrophobicContact CB-CD2 4.47Å; M763-Y773 HydrophobicContact CB-CE1 3.32Å; M763-Y773 HydrophobicContact CB-CE2 4.47Å; M763-Y773 HydrophobicContact CB-CG 3.99Å; M763-Y773 HydrophobicContact CE-CD2 4.05Å; M763-Y773 HydrophobicContact CE-CG 4.34Å; M763-Y773 HydrophobicContact CG-CD1 3.53Å; M763-Y773 HydrophobicContact CG-CD2 3.75Å; M763-Y773 HydrophobicContact CG-CE1 3.63Å; M763-Y773 HydrophobicContact CG-CE2 3.86Å; M763-Y773 HydrophobicContact CG-CG 3.64Å; M763-Y773 HydrophobicContact SD-CD1 4.12Å; M763-Y773 HydrophobicContact SD-CD2 4.07Å; M763-Y773 HydrophobicContact SD-CG 3.78Å; L771-Y773 WeakPolarHBondContact O-CD1 3.42Å; L771-Y773 PolarHBondContact O-N 2.97Å; Y773-P775 HydrophobicContact CE2-CB 4.12Å; Y773-P775 HydrophobicContact CE2-CG 3.78Å; Y773-K876 WeakPolarHBondContact OH-CE 3.46Å; Y773-K876 PolarHBondContact OH-NZ 3.02Å; Y773-K876 VanDerWaalsContact OH-NZ 3.15Å
774V79.4Confident85.8Confident23 Ų2343.7 Ų43.714%0.13924%0.235CC..  trans-98.6123.3170.4-179.30000108.2G776 E777 V840 E842V774-G776 PolarHBondContact O-N 3.14Å; V774-E777 HydrophobicContact CB-CB 4.46Å; V774-E777 HydrophobicContact CB-CG 3.81Å; V774-E777 HydrophobicContact CG1-CG 3.99Å; V774-E777 PolarHBondContact O-N 3.26Å; V774-V840 WeakPolarHBondContact CG1-O 3.37Å; V774-E842 HydrophobicContact CG1-CG 4.29Å; V774-E842 HydrophobicContact CG2-CG 4.18Å; V774-E842 WeakPolarHBondContact CG2-OE1 3.45Å
775P81.6Confident86.1Confident9 Ų941 Ų416%0.05822%0.219CC..THydrogen-bonded Turntrans-55.5135.5176.9-24.934.4000112M756 Y773 V839 V840M756-P775 HydrophobicContact CE-CB 4Å; Y773-P775 HydrophobicContact CE2-CB 4.12Å; Y773-P775 HydrophobicContact CE2-CG 3.78Å; P775-V839 HydrophobicContact CG-CG1 4.2Å; P775-V840 HydrophobicContact CB-CG2 4.19Å; P775-V840 VanDerWaalsContact O-CG1 3.31Å; P775-V840 WeakPolarHBondContact O-CG1 3.3Å
776G82.5Confident86.5Confident6 Ų639.5 Ų39.56%0.06221%0.21CC..THydrogen-bonded Turntrans85.5-1.9-179.400000116.1E759 V774 R782E759-G776 PolarHBondContact OE2-N 3.16Å; V774-G776 PolarHBondContact O-N 3.14Å; G776-R782 VanDerWaalsContact O-CG 3.23Å; G776-R782 WeakPolarHBondContact O-CG 3.37Å; G776-R782 PolarHBondContact O-NE 3.1Å
777E82.9Confident87Confident80 Ų8040.4 Ų40.437%0.37421%0.207SC..  trans-86.7-22174.5-72.3-158.1146.200114.1V774V774-E777 HydrophobicContact CB-CB 4.46Å; V774-E777 HydrophobicContact CB-CG 3.81Å; V774-E777 HydrophobicContact CG1-CG 3.99Å; V774-E777 PolarHBondContact O-N 3.26Å
778S89.4Confident87.5Confident4 Ų434 Ų343%0.02818%0.177CC..BIsolated β-bridgetrans-62140.4178.166.90000111.2L428 E759 R780 T781 R782L428-S778 WeakPolarHBondContact O-CB 3.34Å; E759-S778 WeakPolarHBondContact OE1-CB 3.39Å; E759-S778 PolarHBondContact OE1-OG 2.89Å; S778-R780 PolarHBondContact O-N 3Å; S778-T781 PolarHBondContact O-N 2.8Å; S778-T781 VanDerWaalsContact OG-CB 3.24Å; S778-T781 WeakPolarHBondContact OG-CB 3.34Å; S778-T781 PolarHBondContact OG-N 3.04Å; S778-T781 PolarHBondContact OG-OG1 2.95Å; S778-R782 WeakPolarHBondContact O-CG 3.35Å; S778-R782 PolarHBondContact O-N 3.49Å
779A90.9Very high87.8Confident0 Ų032.1 Ų32.10%016%0.157CC..Hα-helixtrans-56.2-40.3176.600000111.3L409 Y429 Y431 R782 L783L409-A779 HydrophobicContact CD1-CB 3.57Å; Y429-A779 WeakPolarHBondContact O-CB 3.43Å; Y429-A779 PolarHBondContact O-N 2.91Å; Y431-A779 HydrophobicContact CD1-CB 4.15Å; Y431-A779 HydrophobicContact CD2-CB 3.9Å; Y431-A779 HydrophobicContact CE1-CB 3.79Å; Y431-A779 VanDerWaalsContact CE2-CA 3.49Å; Y431-A779 HydrophobicContact CE2-CB 3.51Å; Y431-A779 HydrophobicContact CG-CB 4.2Å; Y431-A779 VanDerWaalsContact CZ-CB 3.45Å; A779-R782 PolarHBondContact O-N 3.06Å; A779-L783 WeakPolarHBondContact O-CB 3.32Å; A779-L783 WeakPolarHBondContact O-CD1 3.49Å; A779-L783 WeakPolarHBondContact O-CG 3.41Å; A779-L783 PolarHBondContact O-N 3.17Å
780R92.1Very high87.9Confident9 Ų928.5 Ų28.53%0.03414%0.14CC..Hα-helixtrans-56.8-52.3175.7-177.4-176175.9-87.40.7112Q343 Y429 S778 R782 L783 L784Q343-R780 PolarHBondContact O-NE 2.76Å; Y429-R780 HydrophobicContact CD2-CB 4.28Å; Y429-R780 HydrophobicContact CE2-CB 4.48Å; Y429-R780 HydrophobicContact CG-CB 4.34Å; S778-R780 PolarHBondContact O-N 3Å; R780-R782 VanDerWaalsContact C-N 3.34Å; R780-R782 PolarHBondContact O-N 2.84Å; R780-L783 PolarHBondContact O-N 3.35Å; R780-L784 HydrophobicContact CG-CD1 4.19Å; R780-L784 WeakPolarHBondContact O-CG 3.39Å; R780-L784 PolarHBondContact O-N 3.41Å
781T92.5Very high88Confident0 Ų026.7 Ų26.70%013%0.129CC..Hα-helixtrans-61.8-44.5179.9-680000111.2V755 E759 S778 L783 L784 W785V755-T781 HydrophobicContact CG1-CG2 3.6Å; E759-T781 PolarHBondContact OE1-OG1 3.43Å; E759-T781 PolarHBondContact OE2-OG1 2.91Å; S778-T781 PolarHBondContact O-N 2.8Å; S778-T781 VanDerWaalsContact OG-CB 3.24Å; S778-T781 WeakPolarHBondContact OG-CB 3.34Å; S778-T781 PolarHBondContact OG-N 3.04Å; S778-T781 PolarHBondContact OG-OG1 2.95Å; T781-L783 PolarHBondContact O-N 3.3Å; T781-L784 PolarHBondContact O-N 3.3Å; T781-W785 HydrophobicContact CG2-CD2 3.76Å; T781-W785 VanDerWaalsContact CG2-CE2 3.43Å; T781-W785 HydrophobicContact CG2-CE3 4.23Å; T781-W785 HydrophobicContact CG2-CG 4.23Å; T781-W785 HydrophobicContact CG2-CH2 4.1Å; T781-W785 HydrophobicContact CG2-CZ2 3.65Å; T781-W785 HydrophobicContact CG2-CZ3 4.36Å; T781-W785 WeakPolarHBondContact O-CB 3.34Å; T781-W785 PolarHBondContact O-N 3.06Å
782R92Very high88.1Confident33 Ų3328.9 Ų28.913%0.12516%0.158CC..Hα-helixtrans-61.1-41.2178.6-71.3-171.8174.6-164.95.4112.9Y431 S436 F439 G776 S778 A779 R780 W785 A786 F806Y431-R782 HydrophobicContact CE2-CB 4.43Å; S436-R782 PolarHBondContact OG-NH1 2.67Å; F439-R782 HydrophobicContact CD2-CB 4.41Å; F439-R782 HydrophobicContact CE1-CB 4.07Å; F439-R782 HydrophobicContact CE2-CB 3.79Å; F439-R782 HydrophobicContact CZ-CB 3.61Å; F439-R782 HydrophobicContact CZ-CG 4.49Å; F439-R782 WeakPolarHBondContact CZ-O 3.33Å; G776-R782 VanDerWaalsContact O-CG 3.23Å; G776-R782 WeakPolarHBondContact O-CG 3.37Å; G776-R782 PolarHBondContact O-NE 3.1Å; S778-R782 WeakPolarHBondContact O-CG 3.35Å; S778-R782 PolarHBondContact O-N 3.49Å; A779-R782 PolarHBondContact O-N 3.06Å; R780-R782 VanDerWaalsContact C-N 3.34Å; R780-R782 PolarHBondContact O-N 2.84Å; R782-W785 PolarHBondContact O-N 3.38Å; R782-A786 WeakPolarHBondContact O-CB 3.37Å; R782-A786 PolarHBondContact O-N 3.37Å; R782-F806 HydrophobicContact CB-CE1 4.46Å; R782-F806 HydrophobicContact CG-CE1 4.38Å
783L92.5Very high88.5Confident2 Ų225.6 Ų25.61%0.0114%0.143CC..Hα-helixtrans-65.3-45176.6-68.7167.3000111.6F401 L406 F439 A779 R780 T781 W785 A786 E787F401-L783 HydrophobicContact CD1-CD2 3.97Å; F401-L783 HydrophobicContact CE1-CD2 4.07Å; L406-L783 HydrophobicContact CD1-CD1 3.95Å; L406-L783 HydrophobicContact CD2-CD1 4.42Å; L406-L783 HydrophobicContact CG-CD1 3.96Å; F439-L783 HydrophobicContact CD2-CD2 4.21Å; F439-L783 HydrophobicContact CE2-CD2 4.17Å; A779-L783 WeakPolarHBondContact O-CB 3.32Å; A779-L783 WeakPolarHBondContact O-CD1 3.49Å; A779-L783 WeakPolarHBondContact O-CG 3.41Å; A779-L783 PolarHBondContact O-N 3.17Å; R780-L783 PolarHBondContact O-N 3.35Å; T781-L783 PolarHBondContact O-N 3.3Å; L783-W785 PolarHBondContact O-N 3.18Å; L783-A786 PolarHBondContact O-N 2.9Å; L783-E787 WeakPolarHBondContact O-CB 3.29Å; L783-E787 PolarHBondContact O-N 2.96Å
784L93.3Very high88.7Confident0 Ų025.3 Ų25.30%014%0.143CC..Hα-helixtrans-63.8-39.7176.1-70172.8000112.2M346 F751 V755 R780 T781 E787 I788M346-L784 HydrophobicContact CG-CD2 4.12Å; M346-L784 HydrophobicContact SD-CD2 3.79Å; F751-L784 HydrophobicContact CE1-CB 4.15Å; F751-L784 HydrophobicContact CZ-CD2 4.39Å; V755-L784 HydrophobicContact CG1-CB 4.35Å; V755-L784 HydrophobicContact CG1-CD1 3.96Å; V755-L784 HydrophobicContact CG2-CB 4.12Å; V755-L784 HydrophobicContact CG2-CD1 3.99Å; R780-L784 HydrophobicContact CG-CD1 4.19Å; R780-L784 WeakPolarHBondContact O-CG 3.39Å; R780-L784 PolarHBondContact O-N 3.41Å; T781-L784 PolarHBondContact O-N 3.3Å; L784-E787 PolarHBondContact O-N 3.34Å; L784-I788 PolarHBondContact O-N 3.45Å
785W93Very high89.2Confident2 Ų225.7 Ų25.71%0.00815%0.147CC..Hα-helixtrans-65.8-42.3174.8-761.9000112.5A752 M756 T781 R782 L783 E787 I788 L789 F801 I802 L805 F806 V840A752-W785 PolarHBondContact O-NE1 3.22Å; M756-W785 HydrophobicContact CG-CH2 4.4Å; M756-W785 HydrophobicContact CG-CZ2 3.63Å; M756-W785 HydrophobicContact SD-CZ2 4.06Å; T781-W785 HydrophobicContact CG2-CD2 3.76Å; T781-W785 VanDerWaalsContact CG2-CE2 3.43Å; T781-W785 HydrophobicContact CG2-CE3 4.23Å; T781-W785 HydrophobicContact CG2-CG 4.23Å; T781-W785 HydrophobicContact CG2-CH2 4.1Å; T781-W785 HydrophobicContact CG2-CZ2 3.65Å; T781-W785 HydrophobicContact CG2-CZ3 4.36Å; T781-W785 WeakPolarHBondContact O-CB 3.34Å; T781-W785 PolarHBondContact O-N 3.06Å; R782-W785 PolarHBondContact O-N 3.38Å; L783-W785 PolarHBondContact O-N 3.18Å; W785-E787 VanDerWaalsContact C-N 3.31Å; W785-E787 PolarHBondContact O-N 3.24Å; W785-I788 VanDerWaalsContact O-CG2 3.26Å; W785-I788 WeakPolarHBondContact O-CG2 3.38Å; W785-I788 PolarHBondContact O-N 3.42Å; W785-L789 WeakPolarHBondContact O-CB 3.32Å; W785-L789 PolarHBondContact O-N 3.12Å; W785-F801 HydrophobicContact CH2-CE1 4.5Å; W785-F801 HydrophobicContact CZ2-CE1 4.23Å; W785-I802 HydrophobicContact CB-CD1 4.24Å; W785-I802 HydrophobicContact CB-CG2 4.01Å; W785-I802 HydrophobicContact CG-CD1 4.45Å; W785-I802 HydrophobicContact CG-CG1 4.48Å; W785-L805 HydrophobicContact CE3-CD1 4.27Å; W785-L805 HydrophobicContact CH2-CD1 3.35Å; W785-L805 HydrophobicContact CZ2-CD1 4.33Å; W785-L805 HydrophobicContact CZ3-CB 4.02Å; W785-L805 HydrophobicContact CZ3-CD1 3.32Å; W785-L805 HydrophobicContact CZ3-CG 4.3Å; W785-F806 HydrophobicContact CB-CE1 4.25Å; W785-F806 HydrophobicContact CB-CZ 3.76Å; W785-F806 AromaticContact CE3-CE1 3.99Å; W785-F806 HydrophobicContact CE3-CE1 3.99Å; W785-V840 HydrophobicContact CH2-CG2 4.45Å
786A91Very high89.3Confident0 Ų030.1 Ų30.10%018%0.176CC..Hα-helixtrans-62.1-41.7174.500000111.1M398 F439 A443 R782 L783 L789 H790 F806M398-A786 HydrophobicContact CE-CB 3.5Å; M398-A786 VanDerWaalsContact CE-CB 3.5Å; F439-A786 HydrophobicContact CE2-CB 4.13Å; F439-A786 HydrophobicContact CZ-CB 4.04Å; A443-A786 HydrophobicContact CB-CB 4.42Å; R782-A786 WeakPolarHBondContact O-CB 3.37Å; R782-A786 PolarHBondContact O-N 3.37Å; L783-A786 PolarHBondContact O-N 2.9Å; A786-L789 PolarHBondContact O-N 3.27Å; A786-H790 WeakPolarHBondContact O-CB 3.39Å; A786-H790 PolarHBondContact O-CD2 3.32Å; A786-H790 VanDerWaalsContact O-CD2 3.26Å; A786-H790 PolarHBondContact O-N 3.25Å; A786-F806 HydrophobicContact CB-CE2 4.26Å; A786-F806 HydrophobicContact CB-CZ 4.26Å
787E89.8Confident89.4Confident63 Ų6331.1 Ų31.129%0.29418%0.18SC..Hα-helixtrans-60-50.6177.4-169.2-167.8175.700112.3K744 L783 L784 W785 L789 H790 S791K744-E787 VanDerWaalsContact NZ-CD 3.34Å; K744-E787 IonicContact NZ-OE1 3.96Å; K744-E787 PolarHBondContact NZ-OE1 3.08Å; K744-E787 IonicContact NZ-OE2 3.85Å; L783-E787 WeakPolarHBondContact O-CB 3.29Å; L783-E787 PolarHBondContact O-N 2.96Å; L784-E787 PolarHBondContact O-N 3.34Å; W785-E787 VanDerWaalsContact C-N 3.31Å; W785-E787 PolarHBondContact O-N 3.24Å; E787-L789 VanDerWaalsContact C-N 3.31Å; E787-L789 PolarHBondContact O-N 2.92Å; E787-H790 PolarHBondContact O-N 3.27Å; E787-S791 PolarHBondContact O-N 3.31Å
788I91.7Very high89.7Confident0 Ų027.4 Ų27.40%016%0.162CC..Hα-helixtrans-67-34.9178.9-167.869.6000111.6K744 P748 F751 L784 W785 S791 L794 I802K744-I788 HydrophobicContact CG-CD1 3.91Å; P748-I788 HydrophobicContact CB-CD1 4.05Å; F751-I788 HydrophobicContact CB-CD1 4.32Å; F751-I788 HydrophobicContact CB-CG1 4.15Å; F751-I788 HydrophobicContact CD1-CB 3.64Å; F751-I788 HydrophobicContact CD1-CD1 4.31Å; F751-I788 HydrophobicContact CD1-CG1 3.89Å; F751-I788 HydrophobicContact CD1-CG2 3.68Å; F751-I788 HydrophobicContact CE1-CB 3.9Å; F751-I788 HydrophobicContact CE1-CG2 4.08Å; F751-I788 HydrophobicContact CG-CB 4.34Å; F751-I788 HydrophobicContact CG-CD1 4.17Å; F751-I788 HydrophobicContact CG-CG1 4.11Å; L784-I788 PolarHBondContact O-N 3.45Å; W785-I788 VanDerWaalsContact O-CG2 3.26Å; W785-I788 WeakPolarHBondContact O-CG2 3.38Å; W785-I788 PolarHBondContact O-N 3.42Å; I788-S791 WeakPolarHBondContact O-CB 3.44Å; I788-S791 PolarHBondContact O-N 2.73Å; I788-S791 PolarHBondContact O-OG 3.48Å; I788-L794 HydrophobicContact CG1-CD1 4.34Å; I788-L794 HydrophobicContact CG1-CD2 3.79Å; I788-L794 HydrophobicContact CG1-CG 4.02Å; I788-L794 HydrophobicContact CG2-CD1 4.22Å; I788-I802 HydrophobicContact CG2-CD1 3.62Å
789L89.6Confident89.6Confident6 Ų630.7 Ų30.73%0.03118%0.177CC..Hα-helixtrans-64.3-39.8176-177.767.4000112.1R448 W785 A786 E787 S791 L794 Q799 I802 E803 F806R448-L789 PolarHBondContact NH1-O 3.47Å; W785-L789 WeakPolarHBondContact O-CB 3.32Å; W785-L789 PolarHBondContact O-N 3.12Å; A786-L789 PolarHBondContact O-N 3.27Å; E787-L789 VanDerWaalsContact C-N 3.31Å; E787-L789 PolarHBondContact O-N 2.92Å; L789-S791 VanDerWaalsContact C-N 3.32Å; L789-L794 HydrophobicContact CD1-CD1 4.26Å; L789-Q799 HydrophobicContact CD1-CB 4.3Å; L789-Q799 HydrophobicContact CD1-CG 3.78Å; L789-I802 HydrophobicContact CB-CD1 4.31Å; L789-I802 HydrophobicContact CB-CG2 4.35Å; L789-I802 HydrophobicContact CD1-CB 4.45Å; L789-I802 HydrophobicContact CD2-CG2 3.98Å; L789-E803 HydrophobicContact CD1-CG 4.37Å; L789-E803 HydrophobicContact CD2-CG 4.49Å; L789-F806 HydrophobicContact CD2-CD2 4.2Å; L789-F806 HydrophobicContact CD2-CE2 3.98Å
790H87.7Confident89.2Confident41 Ų4131.9 Ų31.919%0.1919%0.186CC..Hα-helixtrans-76.1-21.1177.9-68-175.2000112.5M398 A443 A451 A786 E787 G792M398-H790 VanDerWaalsContact CG-ND1 3.3Å; M398-H790 WeakPolarHBondContact CG-ND1 3.44Å; M398-H790 PolarHBondContact SD-CE1 2.62Å; A443-H790 PolarHBondContact O-CE1 2.99Å; A443-H790 PolarHBondContact O-NE2 3.36Å; A451-H790 HydrophobicContact CB-CB 4.48Å; A786-H790 WeakPolarHBondContact O-CB 3.39Å; A786-H790 PolarHBondContact O-CD2 3.32Å; A786-H790 VanDerWaalsContact O-CD2 3.26Å; A786-H790 PolarHBondContact O-N 3.25Å; E787-H790 PolarHBondContact O-N 3.27Å; H790-G792 PolarHBondContact O-N 3.43Å
791S87.2Confident89Confident45 Ų4531.6 Ų31.632%0.31519%0.185SC..THydrogen-bonded Turntrans-64.7-18.1176.880.50000114.4E787 I788 L789 K793E787-S791 PolarHBondContact O-N 3.31Å; I788-S791 WeakPolarHBondContact O-CB 3.44Å; I788-S791 PolarHBondContact O-N 2.73Å; I788-S791 PolarHBondContact O-OG 3.48Å; L789-S791 VanDerWaalsContact C-N 3.32Å; S791-K793 PolarHBondContact O-N 3.03Å; S791-K793 PolarHBondContact OG-N 3.23Å
792G85.6Confident88.8Confident70 Ų7031.6 Ų31.672%0.72219%0.185SC*.THydrogen-bonded Turntrans69.38.5-177.800000114.8H790H790-G792 PolarHBondContact O-N 3.43Å
793K90Very high88.5Confident117 Ų11732 Ų3251%0.50919%0.188SC..  trans-89-11.6-175.4-63.6-178.7178.2-178.10114.8P748 S791P748-K793 HydrophobicContact CB-CB 3.95Å; P748-K793 HydrophobicContact CG-CB 3.97Å; P748-K793 WeakPolarHBondContact CG-O 3.43Å; S791-K793 PolarHBondContact O-N 3.03Å; S791-K793 PolarHBondContact OG-N 3.23Å
794L89.1Confident87.8Confident21 Ų2132.1 Ų32.111%0.1119%0.189CC..SBendtrans-73.9147.7-176.8-67.9173000111.8P748 I788 L789 Q799 I802P748-L794 HydrophobicContact CB-CD2 4.37Å; P748-L794 VanDerWaalsContact O-CD2 3.28Å; P748-L794 WeakPolarHBondContact O-CD2 3.27Å; I788-L794 HydrophobicContact CG1-CD1 4.34Å; I788-L794 HydrophobicContact CG1-CD2 3.79Å; I788-L794 HydrophobicContact CG1-CG 4.02Å; I788-L794 HydrophobicContact CG2-CD1 4.22Å; L789-L794 HydrophobicContact CD1-CD1 4.26Å; L794-Q799 HydrophobicContact CB-CB 4.35Å; L794-I802 HydrophobicContact CD1-CD1 3.54Å
795S88.5Confident87.3Confident31 Ų3133.1 Ų33.122%0.21719%0.194CC..  trans-65.1162.2163.674.20000110.7D749 L797 G798 Q799D749-S795 VanDerWaalsContact CG-OG 3.25Å; D749-S795 WeakPolarHBondContact OD1-CA 3.35Å; D749-S795 WeakPolarHBondContact OD1-CB 3.21Å; D749-S795 PolarHBondContact OD1-N 2.92Å; D749-S795 PolarHBondContact OD1-OG 3.43Å; D749-S795 WeakPolarHBondContact OD2-CB 3.4Å; S795-L797 PolarHBondContact O-N 3.14Å; S795-L797 VanDerWaalsContact O-N 3.09Å; S795-L797 PolarHBondContact OG-N 3.26Å; S795-G798 PolarHBondContact O-N 3.48Å; S795-G798 VanDerWaalsContact O-N 3.14Å; S795-G798 PolarHBondContact OG-N 3.38Å; S795-Q799 WeakPolarHBondContact O-CB 3.39Å; S795-Q799 PolarHBondContact O-N 2.82Å
796P84.6Confident86.8Confident102 Ų10233.9 Ų33.966%0.66220%0.198SC*.Hα-helixtrans-55.5-28.2172.7-26.335.1000113.4S800P796-S800 WeakPolarHBondContact O-CB 3.42Å; P796-S800 PolarHBondContact O-N 3.2Å
797L85.1Confident85.8Confident28 Ų2836.7 Ų36.715%0.14721%0.21CC..Hα-helixtrans-70.2-51.7176.3-178.862.8000111.2S795 S800 F801 F829 L830 Y833S795-L797 PolarHBondContact O-N 3.14Å; S795-L797 VanDerWaalsContact O-N 3.09Å; S795-L797 PolarHBondContact OG-N 3.26Å; L797-S800 PolarHBondContact O-N 2.89Å; L797-F801 WeakPolarHBondContact O-CB 3.21Å; L797-F801 PolarHBondContact O-N 3.33Å; L797-F829 HydrophobicContact CD2-CD1 4.02Å; L797-F829 HydrophobicContact CD2-CE1 4.41Å; L797-L830 HydrophobicContact CD1-CD1 3.62Å; L797-L830 HydrophobicContact CD2-CD1 4.2Å; L797-Y833 HydrophobicContact CD1-CD2 4.46Å; L797-Y833 HydrophobicContact CD2-CD2 3.41Å; L797-Y833 VanDerWaalsContact CD2-CD2 3.41Å; L797-Y833 HydrophobicContact CD2-CE2 3.77Å; L797-Y833 HydrophobicContact CD2-CG 4.28Å; L797-Y833 HydrophobicContact CG-CD2 3.63Å; L797-Y833 HydrophobicContact CG-CE2 3.87Å; L797-Y833 HydrophobicContact CG-CG 4.14Å
798G88Confident84.4Confident1 Ų141.4 Ų41.41%0.0123%0.23CC..Hα-helixtrans-64.1-40.4178.200000112.8S795 F801 I802 Y833S795-G798 PolarHBondContact O-N 3.48Å; S795-G798 VanDerWaalsContact O-N 3.14Å; S795-G798 PolarHBondContact OG-N 3.38Å; G798-F801 WeakPolarHBondContact O-CB 3.34Å; G798-F801 PolarHBondContact O-N 2.92Å; G798-I802 PolarHBondContact O-N 3.14Å; G798-Y833 VanDerWaalsContact CA-OH 3.3Å; G798-Y833 WeakPolarHBondContact CA-OH 3.33Å
799Q87Confident82.3Confident73 Ų7352.7 Ų52.734%0.34127%0.272SS..Hα-helixtrans-59.9-49.8172.7173.9169.27.700111.1L789 L794 S795 F801 I802 E803L789-Q799 HydrophobicContact CD1-CB 4.3Å; L789-Q799 HydrophobicContact CD1-CG 3.78Å; L794-Q799 HydrophobicContact CB-CB 4.35Å; S795-Q799 WeakPolarHBondContact O-CB 3.39Å; S795-Q799 PolarHBondContact O-N 2.82Å; Q799-F801 VanDerWaalsContact C-N 3.28Å; Q799-F801 PolarHBondContact O-N 3.37Å; Q799-I802 PolarHBondContact O-N 2.9Å; Q799-E803 HydrophobicContact CG-CG 4.3Å; Q799-E803 WeakPolarHBondContact CG-OE1 3.49Å; Q799-E803 PolarHBondContact NE2-OE1 3.33Å; Q799-E803 WeakPolarHBondContact O-CB 3.32Å; Q799-E803 WeakPolarHBondContact O-CG 3.35Å; Q799-E803 PolarHBondContact O-N 3.23Å
800S82.8Confident80.4Confident25 Ų2558 Ų5818%0.17530%0.295CS..Hα-helixtrans-62.5-36.1-179.7-176.70000112.5P796 L797 S804 W814P796-S800 WeakPolarHBondContact O-CB 3.42Å; P796-S800 PolarHBondContact O-N 3.2Å; L797-S800 PolarHBondContact O-N 2.89Å; S800-S804 WeakPolarHBondContact O-CB 3.46Å; S800-S804 PolarHBondContact O-N 2.93Å; S800-W814 VanDerWaalsContact OG-CD1 3.31Å; S800-W814 PolarHBondContact OG-NE1 3.24Å
801F87.2Confident78.6Confident4 Ų456.7 Ų56.72%0.01829%0.291CS..Hα-helixtrans-59-54.9174.3171-103.7000110.6A752 L753 M756 W785 L797 G798 Q799 E803 S804 L805 Y833 A836 E837A752-F801 HydrophobicContact CB-CD1 4.28Å; A752-F801 HydrophobicContact CB-CE1 4.12Å; L753-F801 HydrophobicContact CD2-CE1 4.26Å; L753-F801 HydrophobicContact CD2-CZ 4.09Å; M756-F801 HydrophobicContact SD-CE1 4.47Å; M756-F801 HydrophobicContact SD-CZ 3.86Å; W785-F801 HydrophobicContact CH2-CE1 4.5Å; W785-F801 HydrophobicContact CZ2-CE1 4.23Å; L797-F801 WeakPolarHBondContact O-CB 3.21Å; L797-F801 PolarHBondContact O-N 3.33Å; G798-F801 WeakPolarHBondContact O-CB 3.34Å; G798-F801 PolarHBondContact O-N 2.92Å; Q799-F801 VanDerWaalsContact C-N 3.28Å; Q799-F801 PolarHBondContact O-N 3.37Å; F801-E803 PolarHBondContact O-N 3.28Å; F801-S804 PolarHBondContact O-N 3.13Å; F801-S804 PolarHBondContact O-OG 2.93Å; F801-L805 HydrophobicContact CD1-CD1 4.34Å; F801-L805 HydrophobicContact CD2-CD1 4.36Å; F801-L805 HydrophobicContact CE1-CD1 3.84Å; F801-L805 HydrophobicContact CE2-CD1 3.87Å; F801-L805 HydrophobicContact CZ-CD1 3.58Å; F801-L805 WeakPolarHBondContact O-CG 3.49Å; F801-L805 PolarHBondContact O-N 3.44Å; F801-Y833 HydrophobicContact CB-CD1 3.61Å; F801-Y833 HydrophobicContact CB-CE1 3.78Å; F801-Y833 AromaticContact CD1-CD1 3.93Å; F801-Y833 HydrophobicContact CD1-CD1 3.93Å; F801-Y833 AromaticContact CD1-CE1 3.79Å; F801-Y833 HydrophobicContact CD1-CE1 3.79Å; F801-Y833 AromaticContact CD2-CD1 3.68Å; F801-Y833 HydrophobicContact CD2-CD1 3.68Å; F801-Y833 HydrophobicContact CD2-CE1 4.38Å; F801-Y833 HydrophobicContact CE1-CE1 4.48Å; F801-Y833 HydrophobicContact CE2-CD1 4.29Å; F801-Y833 AromaticContact CG-CD1 3.46Å; F801-Y833 HydrophobicContact CG-CD1 3.46Å; F801-Y833 VanDerWaalsContact CG-CD1 3.46Å; F801-Y833 AromaticContact CG-CE1 3.73Å; F801-Y833 HydrophobicContact CG-CE1 3.73Å; F801-A836 HydrophobicContact CE2-CB 4.11Å; F801-A836 HydrophobicContact CZ-CB 4.26Å; F801-E837 HydrophobicContact CD2-CB 4.07Å; F801-E837 HydrophobicContact CE2-CB 3.88Å
802I88.8Confident76.5Confident0 Ų062.3 Ų62.30%031%0.306CS..Hα-helixtrans-62.3-43.3-179.5-61.6177.2000111.4A752 W785 I788 L789 L794 G798 Q799 S804 L805 F806A752-I802 HydrophobicContact CB-CD1 4.06Å; A752-I802 HydrophobicContact CB-CG1 4.15Å; W785-I802 HydrophobicContact CB-CD1 4.24Å; W785-I802 HydrophobicContact CB-CG2 4.01Å; W785-I802 HydrophobicContact CG-CD1 4.45Å; W785-I802 HydrophobicContact CG-CG1 4.48Å; I788-I802 HydrophobicContact CG2-CD1 3.62Å; L789-I802 HydrophobicContact CB-CD1 4.31Å; L789-I802 HydrophobicContact CB-CG2 4.35Å; L789-I802 HydrophobicContact CD1-CB 4.45Å; L789-I802 HydrophobicContact CD2-CG2 3.98Å; L794-I802 HydrophobicContact CD1-CD1 3.54Å; G798-I802 PolarHBondContact O-N 3.14Å; Q799-I802 PolarHBondContact O-N 2.9Å; I802-S804 VanDerWaalsContact C-N 3.34Å; I802-S804 PolarHBondContact O-N 3.41Å; I802-L805 PolarHBondContact O-N 3.47Å; I802-F806 HydrophobicContact CG2-CD2 3.88Å; I802-F806 HydrophobicContact CG2-CE1 4.17Å; I802-F806 HydrophobicContact CG2-CE2 3.47Å; I802-F806 VanDerWaalsContact CG2-CE2 3.47Å; I802-F806 HydrophobicContact CG2-CG 4.39Å; I802-F806 HydrophobicContact CG2-CZ 3.64Å; I802-F806 PolarHBondContact O-N 2.87Å
803E85.1Confident74.8Confident41 Ų4162.1 Ų62.119%0.19230%0.297CS..Hα-helixtrans-63-38.9179.1-72.4-178.5179.800112.3R448 L789 Q799 F801 L805 F806 F807R448-E803 IonicContact NH2-OE1 3.43Å; R448-E803 PolarHBondContact NH2-OE1 2.92Å; L789-E803 HydrophobicContact CD1-CG 4.37Å; L789-E803 HydrophobicContact CD2-CG 4.49Å; Q799-E803 HydrophobicContact CG-CG 4.3Å; Q799-E803 WeakPolarHBondContact CG-OE1 3.49Å; Q799-E803 PolarHBondContact NE2-OE1 3.33Å; Q799-E803 WeakPolarHBondContact O-CB 3.32Å; Q799-E803 WeakPolarHBondContact O-CG 3.35Å; Q799-E803 PolarHBondContact O-N 3.23Å; F801-E803 PolarHBondContact O-N 3.28Å; E803-L805 PolarHBondContact O-N 2.95Å; E803-F806 PolarHBondContact O-N 3.47Å; E803-F807 HydrophobicContact CB-CD2 4.08Å; E803-F807 HydrophobicContact CB-CE2 4.16Å; E803-F807 HydrophobicContact CG-CE2 4.16Å; E803-F807 WeakPolarHBondContact O-CD2 3.08Å; E803-F807 PolarHBondContact O-N 2.92Å; E803-F807 VanDerWaalsContact O-N 3.08Å
804S79.1Confident72.8Confident4 Ų458.5 Ų58.53%0.02828%0.28CS..Hα-helixtrans-57.8-37.2176.475.10000112S800 F801 I802 E837S800-S804 WeakPolarHBondContact O-CB 3.46Å; S800-S804 PolarHBondContact O-N 2.93Å; F801-S804 PolarHBondContact O-N 3.13Å; F801-S804 PolarHBondContact O-OG 2.93Å; I802-S804 VanDerWaalsContact C-N 3.34Å; I802-S804 PolarHBondContact O-N 3.41Å; S804-E837 PolarHBondContact OG-OE1 3.21Å
805L82.2Confident70.8Confident21 Ų2163.3 Ų63.311%0.1130%0.297CS..Hα-helixtrans-79.9-34.6-176.9-61179.5000112.7W785 F801 I802 E803 E837 V840W785-L805 HydrophobicContact CE3-CD1 4.27Å; W785-L805 HydrophobicContact CH2-CD1 3.35Å; W785-L805 HydrophobicContact CZ2-CD1 4.33Å; W785-L805 HydrophobicContact CZ3-CB 4.02Å; W785-L805 HydrophobicContact CZ3-CD1 3.32Å; W785-L805 HydrophobicContact CZ3-CG 4.3Å; F801-L805 HydrophobicContact CD1-CD1 4.34Å; F801-L805 HydrophobicContact CD2-CD1 4.36Å; F801-L805 HydrophobicContact CE1-CD1 3.84Å; F801-L805 HydrophobicContact CE2-CD1 3.87Å; F801-L805 HydrophobicContact CZ-CD1 3.58Å; F801-L805 WeakPolarHBondContact O-CG 3.49Å; F801-L805 PolarHBondContact O-N 3.44Å; I802-L805 PolarHBondContact O-N 3.47Å; E803-L805 PolarHBondContact O-N 2.95Å; L805-E837 HydrophobicContact CD2-CG 4.34Å; L805-V840 HydrophobicContact CD1-CB 4.42Å; L805-V840 HydrophobicContact CD1-CG1 4.06Å; L805-V840 HydrophobicContact CD1-CG2 4.24Å; L805-V840 HydrophobicContact CD2-CB 3.91Å; L805-V840 HydrophobicContact CD2-CG1 3.4Å; L805-V840 VanDerWaalsContact CD2-CG1 3.4Å; L805-V840 HydrophobicContact CG-CG1 4.27Å
806F83.2Confident69Low19 Ų1967.6 Ų67.68%0.08331%0.312CS..Hα-helixtrans-72.8-37.3175.9-72.8-8.2000113.1F439 A444 R782 W785 A786 L789 I802 E803F439-F806 HydrophobicContact CE1-CD1 4.12Å; F439-F806 AromaticContact CE1-CE1 3.89Å; F439-F806 HydrophobicContact CE1-CE1 3.89Å; F439-F806 HydrophobicContact CE1-CE2 4.39Å; F439-F806 HydrophobicContact CE1-CG 4.48Å; F439-F806 HydrophobicContact CE1-CZ 4.04Å; F439-F806 AromaticContact CZ-CE1 3.88Å; F439-F806 HydrophobicContact CZ-CE1 3.88Å; F439-F806 HydrophobicContact CZ-CE2 4.16Å; F439-F806 AromaticContact CZ-CZ 3.66Å; F439-F806 HydrophobicContact CZ-CZ 3.66Å; A444-F806 HydrophobicContact CB-CB 4.08Å; A444-F806 HydrophobicContact CB-CD2 3.85Å; A444-F806 HydrophobicContact CB-CG 4.05Å; R782-F806 HydrophobicContact CB-CE1 4.46Å; R782-F806 HydrophobicContact CG-CE1 4.38Å; W785-F806 HydrophobicContact CB-CE1 4.25Å; W785-F806 HydrophobicContact CB-CZ 3.76Å; W785-F806 AromaticContact CE3-CE1 3.99Å; W785-F806 HydrophobicContact CE3-CE1 3.99Å; A786-F806 HydrophobicContact CB-CE2 4.26Å; A786-F806 HydrophobicContact CB-CZ 4.26Å; L789-F806 HydrophobicContact CD2-CD2 4.2Å; L789-F806 HydrophobicContact CD2-CE2 3.98Å; I802-F806 HydrophobicContact CG2-CD2 3.88Å; I802-F806 HydrophobicContact CG2-CE1 4.17Å; I802-F806 HydrophobicContact CG2-CE2 3.47Å; I802-F806 VanDerWaalsContact CG2-CE2 3.47Å; I802-F806 HydrophobicContact CG2-CG 4.39Å; I802-F806 HydrophobicContact CG2-CZ 3.64Å; I802-F806 PolarHBondContact O-N 2.87Å; E803-F806 PolarHBondContact O-N 3.47Å
807F70.1Confident67.4Low58 Ų5866.5 Ų66.525%0.25431%0.306SS..Hα-helixtrans-96.2-8.8-166.2-68.5-63.7000116.2A444 E803 R809A444-F807 VanDerWaalsContact O-CE1 3.25Å; A444-F807 WeakPolarHBondContact O-CE1 3.47Å; A444-F807 WeakPolarHBondContact O-CZ 3.46Å; E803-F807 HydrophobicContact CB-CD2 4.08Å; E803-F807 HydrophobicContact CB-CE2 4.16Å; E803-F807 HydrophobicContact CG-CE2 4.16Å; E803-F807 WeakPolarHBondContact O-CD2 3.08Å; E803-F807 PolarHBondContact O-N 2.92Å; E803-F807 VanDerWaalsContact O-N 3.08Å; F807-R809 PolarHBondContact O-N 2.9Å
808K59.3Low65.8Low163 Ų16367.9 Ų67.971%0.70931%0.31SS*.SBendtrans48.6-48.3-174.2-67.2-169.7177.7-172.20116.2K810 A811K808-K810 PolarHBondContact O-N 2.85Å; K808-A811 PolarHBondContact O-N 3.13Å
809R48.6Very low63.7Low237 Ų23770.3 Ų70.389%0.89432%0.324SS*.Hα-helixtrans-63.6-30.1178.2-68.8-176.7174.5-178.7-0.6115.1F807F807-R809 PolarHBondContact O-N 2.9Å
810K50Low61.6Low116 Ų11670 Ų7050%0.50434%0.341SS..Hα-helixtrans-84.7-20.8179.6-78-175.5-179.21750113.5K808 W812 A813 W814K808-K810 PolarHBondContact O-N 2.85Å; K810-W812 VanDerWaalsContact C-N 3.32Å; K810-W812 PolarHBondContact O-N 3.24Å; K810-A813 PolarHBondContact O-N 3.16Å; K810-W814 WeakPolarHBondContact O-CB 3.36Å; K810-W814 PolarHBondContact O-N 2.9Å
811A48.4Very low59.7Low14 Ų1470.6 Ų70.612%0.11635%0.345CS..Hα-helixtrans-56.9-42.9-175.900000112.4K808 W815K808-A811 PolarHBondContact O-N 3.13Å; A811-W815 WeakPolarHBondContact O-CB 2.95Å; A811-W815 PolarHBondContact O-N 3.37Å
812W44.5Very low57.5Low164 Ų16479.9 Ų79.962%0.62139%0.389SS*.Hα-helixtrans-75.4-39.5-178.8-154.787.7000113.9K810 W815 K816K810-W812 VanDerWaalsContact C-N 3.32Å; K810-W812 PolarHBondContact O-N 3.24Å; W812-W815 PolarHBondContact O-N 2.95Å; W812-K816 HydrophobicContact CE3-CD 3.96Å; W812-K816 HydrophobicContact CE3-CG 4.41Å; W812-K816 HydrophobicContact CH2-CD 3.99Å; W812-K816 HydrophobicContact CZ3-CD 3.54Å; W812-K816 HydrophobicContact CZ3-CG 4.39Å; W812-K816 PolarHBondContact O-N 2.87Å
813A48.3Very low55.4Low65 Ų6586 Ų8654%0.53743%0.426SS..Hα-helixtrans-68.3-36.4175.100000112K810 S817K810-A813 PolarHBondContact O-N 3.16Å; A813-S817 PolarHBondContact O-N 3.34Å; A813-S817 VanDerWaalsContact O-N 3.17Å
814W49.3Very low53.6Low41 Ų4188.3 Ų88.316%0.15544%0.437CS..Hα-helixtrans-69.6-43.1172.7177.994.1000112.2S800 K810 K816 S817 R818 E837S800-W814 VanDerWaalsContact OG-CD1 3.31Å; S800-W814 PolarHBondContact OG-NE1 3.24Å; K810-W814 WeakPolarHBondContact O-CB 3.36Å; K810-W814 PolarHBondContact O-N 2.9Å; W814-K816 VanDerWaalsContact C-N 3.32Å; W814-K816 PolarHBondContact O-N 3.16Å; W814-S817 PolarHBondContact O-N 3.48Å; W814-S817 VanDerWaalsContact O-N 3.09Å; W814-S817 PolarHBondContact O-OG 2.85Å; W814-R818 PolarHBondContact O-N 2.71Å; W814-E837 WeakPolarHBondContact CH2-OE2 3.33Å; W814-E837 WeakPolarHBondContact CZ3-OE1 3.45Å; W814-E837 WeakPolarHBondContact CZ3-OE2 3.3Å
815W46.4Very low52.1Low122 Ų12296.9 Ų96.946%0.46248%0.476SS..Hα-helixtrans-57.9-46.2174.5-178.590.3000110.3A811 W812 S817 R818 V819A811-W815 WeakPolarHBondContact O-CB 2.95Å; A811-W815 PolarHBondContact O-N 3.37Å; W812-W815 PolarHBondContact O-N 2.95Å; W815-S817 VanDerWaalsContact C-N 3.34Å; W815-S817 PolarHBondContact O-N 3.09Å; W815-R818 PolarHBondContact O-N 3.39Å; W815-V819 HydrophobicContact CD2-CB 4.32Å; W815-V819 HydrophobicContact CD2-CG2 4.08Å; W815-V819 HydrophobicContact CG-CG2 3.87Å; W815-V819 HydrophobicContact CZ2-CG1 4.07Å; W815-V819 WeakPolarHBondContact O-CB 3.45Å; W815-V819 VanDerWaalsContact O-CG2 3.25Å; W815-V819 WeakPolarHBondContact O-CG2 3.48Å; W815-V819 PolarHBondContact O-N 3.34Å
816K50.5Low50.8Low122 Ų122101.1 Ų101.153%0.5350%0.499SS..Hα-helixtrans-61-38.1174.5-88.4-170.8168.71800113.6W812 W814 R818W812-K816 HydrophobicContact CE3-CD 3.96Å; W812-K816 HydrophobicContact CE3-CG 4.41Å; W812-K816 HydrophobicContact CH2-CD 3.99Å; W812-K816 HydrophobicContact CZ3-CD 3.54Å; W812-K816 HydrophobicContact CZ3-CG 4.39Å; W812-K816 PolarHBondContact O-N 2.87Å; W814-K816 VanDerWaalsContact C-N 3.32Å; W814-K816 PolarHBondContact O-N 3.16Å; K816-R818 VanDerWaalsContact C-N 3.34Å; K816-R818 PolarHBondContact O-N 2.99Å
817S50.7Low50.5Low78 Ų78102.9 Ų102.955%0.54551%0.514SS..Hα-helixtrans-72.4-25.3-175.774.90000113.7A813 W814 W815A813-S817 PolarHBondContact O-N 3.34Å; A813-S817 VanDerWaalsContact O-N 3.17Å; W814-S817 PolarHBondContact O-N 3.48Å; W814-S817 VanDerWaalsContact O-N 3.09Å; W814-S817 PolarHBondContact O-OG 2.85Å; W815-S817 VanDerWaalsContact C-N 3.34Å; W815-S817 PolarHBondContact O-N 3.09Å
818R52Low50.9Low58 Ų58102.1 Ų102.122%0.21952%0.515CS..Hα-helixtrans-115.9-24-176.6-78.2-173.5165.5-176.8-2.1116.1W814 W815 K816 G820 S821W814-R818 PolarHBondContact O-N 2.71Å; W815-R818 PolarHBondContact O-N 3.39Å; K816-R818 VanDerWaalsContact C-N 3.34Å; K816-R818 PolarHBondContact O-N 2.99Å; R818-G820 VanDerWaalsContact C-N 3.31Å; R818-S821 PolarHBondContact O-OG 3.44Å
819V45.1Very low52.1Low51 Ų5196.6 Ų96.631%0.30949%0.491SS..Hα-helixtrans-76.1-24.4174.7179.10000111.3W815W815-V819 HydrophobicContact CD2-CB 4.32Å; W815-V819 HydrophobicContact CD2-CG2 4.08Å; W815-V819 HydrophobicContact CG-CG2 3.87Å; W815-V819 HydrophobicContact CZ2-CG1 4.07Å; W815-V819 WeakPolarHBondContact O-CB 3.45Å; W815-V819 VanDerWaalsContact O-CG2 3.25Å; W815-V819 WeakPolarHBondContact O-CG2 3.48Å; W815-V819 PolarHBondContact O-N 3.34Å
820G42Very low53.9Low68 Ų6886 Ų8670%0.70145%0.452SS*.SBendtrans-81.5-11.4174.700000115.4R818R818-G820 VanDerWaalsContact C-N 3.31Å
821S43.3Very low55.7Low37 Ų3780.6 Ų80.626%0.25943%0.429SS..  trans-97.292.4179.864.10000110.8R818 T823R818-S821 PolarHBondContact O-OG 3.44Å; S821-T823 PolarHBondContact O-N 3.3Å
822E41.5Very low57.7Low199 Ų19980 Ų8093%0.9342%0.423SS*.THydrogen-bonded Turntrans-67.211171.6-68.6-176.5157.100113.8
823T43.2Very low59.8Low129 Ų12972.3 Ų72.379%0.79139%0.394SS*.THydrogen-bonded Turntrans-116.7-2.8-170.157.30000116S821 Q825S821-T823 PolarHBondContact O-N 3.3Å; T823-Q825 PolarHBondContact O-N 3.06Å
824E47.4Very low61.6Low88 Ų8871.1 Ų71.141%0.41138%0.376SS..SBendtrans-80.4116.1168.3-80-174.4160.400108.3D826E824-D826 PolarHBondContact O-N 2.91Å
825Q48.3Very low63.5Low184 Ų18469.1 Ų69.186%0.8637%0.368SS*.  trans-43.2121.8180-72.3171.9-16.900111T823 S827T823-Q825 PolarHBondContact O-N 3.06Å; Q825-S827 VanDerWaalsContact C-N 3.34Å; Q825-S827 PolarHBondContact O-N 3.46Å
826D55.2Low65.5Low111 Ų11163.3 Ų63.359%0.59435%0.346SS*.  trans-55.492.5176.3-71.6-46.7000110.2E824 R852E824-D826 PolarHBondContact O-N 2.91Å; D826-R852 IonicContact OD1-NH2 3.9Å
827S76.7Confident67.2Low56 Ų5658 Ų5839%0.39232%0.323SS..  trans-91132.3172174.80000108.6Q825 F829 L830 D831Q825-S827 VanDerWaalsContact C-N 3.34Å; Q825-S827 PolarHBondContact O-N 3.46Å; S827-F829 PolarHBondContact O-N 3.01Å; S827-F829 PolarHBondContact OG-N 3.39Å; S827-L830 WeakPolarHBondContact O-CB 3.44Å; S827-L830 PolarHBondContact O-N 3.38Å; S827-D831 PolarHBondContact O-N 3.38Å
828P78.6Confident68.7Low41 Ų4155.8 Ų55.827%0.26630%0.304SS..Hα-helixtrans-51.3-31.6174-2734000113.3D831 L832 R856P828-D831 PolarHBondContact O-N 2.74Å; P828-L832 PolarHBondContact O-N 3.49Å; P828-R856 VanDerWaalsContact CB-NE 3.35Å
829F84.5Confident70.1Confident47 Ų4754 Ų5421%0.20630%0.299CS..Hα-helixtrans-69.2-35.2178.5-161.6-127.7000113D749 Y750 L797 S827 L832 Y833D749-F829 HydrophobicContact CB-CE1 3.81Å; D749-F829 HydrophobicContact CB-CZ 3.45Å; D749-F829 VanDerWaalsContact CB-CZ 3.45Å; Y750-F829 HydrophobicContact CD1-CE2 4.14Å; Y750-F829 HydrophobicContact CD2-CE2 4.14Å; Y750-F829 HydrophobicContact CD2-CZ 4.45Å; Y750-F829 HydrophobicContact CE1-CD2 4.22Å; Y750-F829 AromaticContact CE1-CE2 3.68Å; Y750-F829 HydrophobicContact CE1-CE2 3.68Å; Y750-F829 HydrophobicContact CE2-CD2 4.42Å; Y750-F829 AromaticContact CE2-CE2 3.69Å; Y750-F829 HydrophobicContact CE2-CE2 3.69Å; Y750-F829 HydrophobicContact CE2-CZ 4.24Å; Y750-F829 HydrophobicContact CG-CE2 4.36Å; Y750-F829 AromaticContact CZ-CD2 3.87Å; Y750-F829 AromaticContact CZ-CE2 3.43Å; Y750-F829 VanDerWaalsContact CZ-CE2 3.43Å; L797-F829 HydrophobicContact CD2-CD1 4.02Å; L797-F829 HydrophobicContact CD2-CE1 4.41Å; S827-F829 PolarHBondContact O-N 3.01Å; S827-F829 PolarHBondContact OG-N 3.39Å; F829-L832 HydrophobicContact CD2-CD2 4.37Å; F829-L832 HydrophobicContact CE2-CD2 4.48Å; F829-L832 WeakPolarHBondContact O-CB 3.26Å; F829-L832 PolarHBondContact O-N 3.02Å; F829-Y833 HydrophobicContact CD1-CD2 4.41Å; F829-Y833 HydrophobicContact CD1-CE2 4.08Å; F829-Y833 HydrophobicContact CE1-CD2 4.29Å; F829-Y833 AromaticContact CE1-CE2 3.53Å; F829-Y833 HydrophobicContact CE1-CE2 3.53Å; F829-Y833 HydrophobicContact CE2-CE2 4.05Å; F829-Y833 HydrophobicContact CZ-CD2 4.39Å; F829-Y833 AromaticContact CZ-CE2 3.51Å; F829-Y833 HydrophobicContact CZ-CE2 3.51Å; F829-Y833 WeakPolarHBondContact O-CD2 3.42Å; F829-Y833 PolarHBondContact O-N 3.41Å
830L85.7Confident71.9Confident14 Ų1452.3 Ų52.37%0.07329%0.29CS..Hα-helixtrans-70.1-40.9174.5-178.961.5000111.2L797 S827 L832 Y833 R834L797-L830 HydrophobicContact CD1-CD1 3.62Å; L797-L830 HydrophobicContact CD2-CD1 4.2Å; S827-L830 WeakPolarHBondContact O-CB 3.44Å; S827-L830 PolarHBondContact O-N 3.38Å; L830-L832 VanDerWaalsContact C-N 3.27Å; L830-L832 PolarHBondContact O-N 2.95Å; L830-Y833 PolarHBondContact O-N 3.08Å; L830-R834 HydrophobicContact CD1-CG 4.42Å; L830-R834 WeakPolarHBondContact O-CB 3.27Å; L830-R834 WeakPolarHBondContact O-CG 3.32Å; L830-R834 PolarHBondContact O-N 3.44Å
831D87.4Confident73.6Confident4 Ų453.4 Ų53.42%0.02128%0.279CS..Hα-helixtrans-58.4-42.1173.3-76-19.4000110.7S827 P828 Y833 R834 V835 M849 R852 L853S827-D831 PolarHBondContact O-N 3.38Å; P828-D831 PolarHBondContact O-N 2.74Å; D831-Y833 PolarHBondContact O-N 3.45Å; D831-R834 PolarHBondContact O-N 3.21Å; D831-V835 WeakPolarHBondContact O-CB 3.48Å; D831-V835 VanDerWaalsContact O-CG2 3.29Å; D831-V835 WeakPolarHBondContact O-CG2 3.39Å; D831-V835 PolarHBondContact O-N 3.09Å; D831-M849 HydrophobicContact CB-CB 4.4Å; D831-R852 IonicContact OD1-CZ 3.88Å; D831-R852 IonicContact OD1-NH2 2.9Å; D831-R852 PolarHBondContact OD1-NH2 3.27Å; D831-R852 IonicContact OD2-CZ 3.37Å; D831-R852 IonicContact OD2-NE 2.76Å; D831-R852 PolarHBondContact OD2-NE 3.09Å; D831-R852 IonicContact OD2-NH2 3.12Å; D831-R852 PolarHBondContact OD2-NH2 3.07Å; D831-R852 VanDerWaalsContact OD2-NH2 3.12Å; D831-L853 HydrophobicContact CB-CD1 4.45Å; D831-L853 HydrophobicContact CB-CD2 4.18Å; D831-L853 HydrophobicContact CB-CG 4.23Å
832L90.7Very high75.1Confident0 Ų059 Ų590%030%0.301CS..Hα-helixtrans-58.1-49.1178.3-166.268.2000112.3Y750 L753 P828 F829 L830 A836 L853 E866 V869 L873Y750-L832 HydrophobicContact CD1-CD2 4.37Å; Y750-L832 HydrophobicContact CE1-CD2 3.86Å; L753-L832 HydrophobicContact CD1-CD2 3.59Å; L753-L832 HydrophobicContact CD1-CG 3.91Å; P828-L832 PolarHBondContact O-N 3.49Å; F829-L832 HydrophobicContact CD2-CD2 4.37Å; F829-L832 HydrophobicContact CE2-CD2 4.48Å; F829-L832 WeakPolarHBondContact O-CB 3.26Å; F829-L832 PolarHBondContact O-N 3.02Å; L830-L832 VanDerWaalsContact C-N 3.27Å; L830-L832 PolarHBondContact O-N 2.95Å; L832-A836 WeakPolarHBondContact O-CB 3.2Å; L832-A836 PolarHBondContact O-N 2.85Å; L832-L853 HydrophobicContact CB-CD2 4.38Å; L832-L853 HydrophobicContact CD1-CD1 4.21Å; L832-L853 HydrophobicContact CD1-CD2 4.3Å; L832-E866 HydrophobicContact CD2-CG 4.44Å; L832-V869 HydrophobicContact CD1-CB 4.14Å; L832-V869 HydrophobicContact CD1-CG1 3.68Å; L832-V869 HydrophobicContact CD2-CB 4.39Å; L832-V869 HydrophobicContact CD2-CG1 4.21Å; L832-V869 HydrophobicContact CG-CG1 4.03Å; L832-L873 HydrophobicContact CD1-CD1 3.96Å
833Y90.1Very high76.7Confident4 Ų451.6 Ų51.62%0.01627%0.274CS..Hα-helixtrans-66.3-41.8177.5-85.3-73.3000113.3D749 L753 L797 G798 F801 F829 L830 D831 V835 A836 E837D749-Y833 VanDerWaalsContact C-OH 3.25Å; D749-Y833 WeakPolarHBondContact CA-OH 3.45Å; D749-Y833 WeakPolarHBondContact CB-OH 3.26Å; D749-Y833 PolarHBondContact O-OH 2.86Å; L753-Y833 HydrophobicContact CD1-CD1 4.31Å; L753-Y833 HydrophobicContact CD1-CE1 4.1Å; L753-Y833 HydrophobicContact CD1-CE2 4.45Å; L753-Y833 HydrophobicContact CD2-CD1 4.02Å; L753-Y833 HydrophobicContact CD2-CE1 4.12Å; L753-Y833 HydrophobicContact CG-CD1 4.38Å; L753-Y833 HydrophobicContact CG-CE1 4.06Å; L797-Y833 HydrophobicContact CD1-CD2 4.46Å; L797-Y833 HydrophobicContact CD2-CD2 3.41Å; L797-Y833 VanDerWaalsContact CD2-CD2 3.41Å; L797-Y833 HydrophobicContact CD2-CE2 3.77Å; L797-Y833 HydrophobicContact CD2-CG 4.28Å; L797-Y833 HydrophobicContact CG-CD2 3.63Å; L797-Y833 HydrophobicContact CG-CE2 3.87Å; L797-Y833 HydrophobicContact CG-CG 4.14Å; G798-Y833 VanDerWaalsContact CA-OH 3.3Å; G798-Y833 WeakPolarHBondContact CA-OH 3.33Å; F801-Y833 HydrophobicContact CB-CD1 3.61Å; F801-Y833 HydrophobicContact CB-CE1 3.78Å; F801-Y833 AromaticContact CD1-CD1 3.93Å; F801-Y833 HydrophobicContact CD1-CD1 3.93Å; F801-Y833 AromaticContact CD1-CE1 3.79Å; F801-Y833 HydrophobicContact CD1-CE1 3.79Å; F801-Y833 AromaticContact CD2-CD1 3.68Å; F801-Y833 HydrophobicContact CD2-CD1 3.68Å; F801-Y833 HydrophobicContact CD2-CE1 4.38Å; F801-Y833 HydrophobicContact CE1-CE1 4.48Å; F801-Y833 HydrophobicContact CE2-CD1 4.29Å; F801-Y833 AromaticContact CG-CD1 3.46Å; F801-Y833 HydrophobicContact CG-CD1 3.46Å; F801-Y833 VanDerWaalsContact CG-CD1 3.46Å; F801-Y833 AromaticContact CG-CE1 3.73Å; F801-Y833 HydrophobicContact CG-CE1 3.73Å; F829-Y833 HydrophobicContact CD1-CD2 4.41Å; F829-Y833 HydrophobicContact CD1-CE2 4.08Å; F829-Y833 HydrophobicContact CE1-CD2 4.29Å; F829-Y833 AromaticContact CE1-CE2 3.53Å; F829-Y833 HydrophobicContact CE1-CE2 3.53Å; F829-Y833 HydrophobicContact CE2-CE2 4.05Å; F829-Y833 HydrophobicContact CZ-CD2 4.39Å; F829-Y833 AromaticContact CZ-CE2 3.51Å; F829-Y833 HydrophobicContact CZ-CE2 3.51Å; F829-Y833 WeakPolarHBondContact O-CD2 3.42Å; F829-Y833 PolarHBondContact O-N 3.41Å; L830-Y833 PolarHBondContact O-N 3.08Å; D831-Y833 PolarHBondContact O-N 3.45Å; Y833-V835 PolarHBondContact O-N 3.27Å; Y833-A836 PolarHBondContact O-N 2.92Å; Y833-E837 WeakPolarHBondContact O-CB 3.41Å; Y833-E837 PolarHBondContact O-N 2.81Å
834R86Confident78.1Confident39 Ų3953.6 Ų53.615%0.14727%0.272CS..Hα-helixtrans-62.6-44.2179.4-76.1175.2173.3172.6-1.8111.4L830 D831 E837 Q838 M849L830-R834 HydrophobicContact CD1-CG 4.42Å; L830-R834 WeakPolarHBondContact O-CB 3.27Å; L830-R834 WeakPolarHBondContact O-CG 3.32Å; L830-R834 PolarHBondContact O-N 3.44Å; D831-R834 PolarHBondContact O-N 3.21Å; R834-E837 PolarHBondContact O-N 3.2Å; R834-Q838 VanDerWaalsContact O-CG 3.26Å; R834-Q838 WeakPolarHBondContact O-CG 3.43Å; R834-Q838 PolarHBondContact O-N 2.85Å; R834-M849 HydrophobicContact CB-CE 4.4Å; R834-M849 HydrophobicContact CB-SD 3.77Å; R834-M849 HydrophobicContact CG-SD 4.42Å
835V87.9Confident79.5Confident0 Ų050 Ų500%026%0.256CS..Hα-helixtrans-64.5-44.4176.1174.20000110.4D831 Y833 E837 Q838 V839 P845 M849 L850 L853 L873D831-V835 WeakPolarHBondContact O-CB 3.48Å; D831-V835 VanDerWaalsContact O-CG2 3.29Å; D831-V835 WeakPolarHBondContact O-CG2 3.39Å; D831-V835 PolarHBondContact O-N 3.09Å; Y833-V835 PolarHBondContact O-N 3.27Å; V835-E837 PolarHBondContact O-N 3.47Å; V835-Q838 PolarHBondContact O-N 2.98Å; V835-V839 WeakPolarHBondContact O-CG2 3.36Å; V835-V839 PolarHBondContact O-N 3.15Å; V835-P845 HydrophobicContact CG1-CB 4.07Å; V835-P845 HydrophobicContact CG1-CG 4.18Å; V835-P845 HydrophobicContact CG2-CB 4.29Å; V835-M849 HydrophobicContact CG2-CB 3.89Å; V835-L850 HydrophobicContact CG1-CD2 3.56Å; V835-L850 HydrophobicContact CG1-CG 4.24Å; V835-L850 HydrophobicContact CG2-CD2 4.29Å; V835-L850 HydrophobicContact CG2-CG 4.27Å; V835-L853 HydrophobicContact CB-CD1 4.34Å; V835-L853 HydrophobicContact CG2-CD1 3.99Å; V835-L873 HydrophobicContact CB-CD1 4.29Å; V835-L873 HydrophobicContact CG1-CB 4.16Å; V835-L873 HydrophobicContact CG1-CD1 3.88Å; V835-L873 HydrophobicContact CG1-CD2 4.39Å; V835-L873 HydrophobicContact CG1-CG 4.37Å
836A89.5Confident80.9Confident0 Ų046.2 Ų46.20%024%0.237CC..Hα-helixtrans-60.8-43.1178.100000112.7L753 M756 F801 L832 Y833 V839 V840 L873L753-A836 HydrophobicContact CD2-CB 3.48Å; L753-A836 VanDerWaalsContact CD2-CB 3.48Å; M756-A836 HydrophobicContact CE-CB 4.23Å; M756-A836 HydrophobicContact SD-CB 4.24Å; F801-A836 HydrophobicContact CE2-CB 4.11Å; F801-A836 HydrophobicContact CZ-CB 4.26Å; L832-A836 WeakPolarHBondContact O-CB 3.2Å; L832-A836 PolarHBondContact O-N 2.85Å; Y833-A836 PolarHBondContact O-N 2.92Å; A836-V839 PolarHBondContact O-N 3.36Å; A836-V840 WeakPolarHBondContact O-CG2 3.32Å; A836-V840 PolarHBondContact O-N 2.67Å; A836-L873 HydrophobicContact CB-CD1 4.39Å; A836-L873 HydrophobicContact CB-CD2 4.15Å
837E84.7Confident82.1Confident11 Ų1149 Ų495%0.05125%0.246CC..Hα-helixtrans-64.9-41.8177.6-172.5-173.6-177.700111.6F801 S804 L805 W814 Y833 R834 V835 V839 V840 L841F801-E837 HydrophobicContact CD2-CB 4.07Å; F801-E837 HydrophobicContact CE2-CB 3.88Å; S804-E837 PolarHBondContact OG-OE1 3.21Å; L805-E837 HydrophobicContact CD2-CG 4.34Å; W814-E837 WeakPolarHBondContact CH2-OE2 3.33Å; W814-E837 WeakPolarHBondContact CZ3-OE1 3.45Å; W814-E837 WeakPolarHBondContact CZ3-OE2 3.3Å; Y833-E837 WeakPolarHBondContact O-CB 3.41Å; Y833-E837 PolarHBondContact O-N 2.81Å; R834-E837 PolarHBondContact O-N 3.2Å; V835-E837 PolarHBondContact O-N 3.47Å; E837-V839 VanDerWaalsContact C-N 3.3Å; E837-V839 PolarHBondContact O-N 3.03Å; E837-V840 PolarHBondContact O-N 3.31Å; E837-L841 HydrophobicContact CG-CD1 3.97Å; E837-L841 HydrophobicContact CG-CG 4.4Å; E837-L841 WeakPolarHBondContact O-CB 3.35Å; E837-L841 WeakPolarHBondContact O-CG 3.46Å; E837-L841 PolarHBondContact O-N 3.22Å
838Q82.4Confident82.4Confident30 Ų3053 Ų5314%0.1426%0.259CS..Hα-helixtrans-60.5-41.7175.1-72.8177.9-50.600111.3R834 V835 V840 L841 E842 A843 P845R834-Q838 VanDerWaalsContact O-CG 3.26Å; R834-Q838 WeakPolarHBondContact O-CG 3.43Å; R834-Q838 PolarHBondContact O-N 2.85Å; V835-Q838 PolarHBondContact O-N 2.98Å; Q838-V840 PolarHBondContact O-N 3.08Å; Q838-L841 PolarHBondContact O-N 3.39Å; Q838-E842 PolarHBondContact O-N 3.47Å; Q838-A843 CarbonylContact C-O 3.44Å; Q838-A843 HydrophobicContact CB-CB 4.33Å; Q838-A843 WeakPolarHBondContact O-CA 3.33Å; Q838-A843 PolarHBondContact O-N 3.33Å; Q838-A843 VanDerWaalsContact O-O 3.06Å; Q838-P845 HydrophobicContact CB-CB 4.26Å; Q838-P845 HydrophobicContact CB-CG 4.25Å
839V82.3Confident82.6Confident20 Ų2051.7 Ų51.712%0.12125%0.249CC..Hα-helixtrans-62.2-41.3174.6170.10000111.9P775 V835 A836 E837 E842 P845 L873 K876 V877P775-V839 HydrophobicContact CG-CG1 4.2Å; V835-V839 WeakPolarHBondContact O-CG2 3.36Å; V835-V839 PolarHBondContact O-N 3.15Å; A836-V839 PolarHBondContact O-N 3.36Å; E837-V839 VanDerWaalsContact C-N 3.3Å; E837-V839 PolarHBondContact O-N 3.03Å; V839-E842 PolarHBondContact O-N 3.25Å; V839-P845 HydrophobicContact CG2-CG 4.22Å; V839-L873 HydrophobicContact CB-CD2 4.29Å; V839-L873 HydrophobicContact CG2-CD2 3.98Å; V839-K876 HydrophobicContact CG1-CB 4.32Å; V839-V877 HydrophobicContact CG2-CG2 4.12Å
840V82.1Confident82.6Confident17 Ų1750.2 Ų50.210%0.10324%0.244CC..Hα-helixtrans-68.4-37.1177.2174.40000112.1M756 V774 P775 W785 L805 A836 E837 Q838 E842M756-V840 HydrophobicContact CE-CG2 3.45Å; M756-V840 VanDerWaalsContact CE-CG2 3.45Å; M756-V840 HydrophobicContact SD-CG2 4.02Å; V774-V840 WeakPolarHBondContact CG1-O 3.37Å; P775-V840 HydrophobicContact CB-CG2 4.19Å; P775-V840 VanDerWaalsContact O-CG1 3.31Å; P775-V840 WeakPolarHBondContact O-CG1 3.3Å; W785-V840 HydrophobicContact CH2-CG2 4.45Å; L805-V840 HydrophobicContact CD1-CB 4.42Å; L805-V840 HydrophobicContact CD1-CG1 4.06Å; L805-V840 HydrophobicContact CD1-CG2 4.24Å; L805-V840 HydrophobicContact CD2-CB 3.91Å; L805-V840 HydrophobicContact CD2-CG1 3.4Å; L805-V840 VanDerWaalsContact CD2-CG1 3.4Å; L805-V840 HydrophobicContact CG-CG1 4.27Å; A836-V840 WeakPolarHBondContact O-CG2 3.32Å; A836-V840 PolarHBondContact O-N 2.67Å; E837-V840 PolarHBondContact O-N 3.31Å; Q838-V840 PolarHBondContact O-N 3.08Å; V840-E842 PolarHBondContact O-N 2.93Å
841L77.7Confident82.6Confident90 Ų9052 Ų5247%0.47126%0.261SS..THydrogen-bonded Turntrans-78.98.1177.7-67.5176.4000113.4E837 Q838 A843E837-L841 HydrophobicContact CG-CD1 3.97Å; E837-L841 HydrophobicContact CG-CG 4.4Å; E837-L841 WeakPolarHBondContact O-CB 3.35Å; E837-L841 WeakPolarHBondContact O-CG 3.46Å; E837-L841 PolarHBondContact O-N 3.22Å; Q838-L841 PolarHBondContact O-N 3.39Å; L841-A843 HydrophobicContact CB-CB 4.44Å; L841-A843 PolarHBondContact O-N 3.23Å; L841-A843 VanDerWaalsContact O-N 3.13Å
842E75.1Confident82.7Confident154 Ų15455.9 Ų55.972%0.7228%0.275SS*.THydrogen-bonded Turntrans53.929.3-174.3-57.6-175.2113.200113V774 Q838 V839 V840V774-E842 HydrophobicContact CG1-CG 4.29Å; V774-E842 HydrophobicContact CG2-CG 4.18Å; V774-E842 WeakPolarHBondContact CG2-OE1 3.45Å; Q838-E842 PolarHBondContact O-N 3.47Å; V839-E842 PolarHBondContact O-N 3.25Å; V840-E842 PolarHBondContact O-N 2.93Å
843A75.2Confident82.6Confident44 Ų4456 Ų5636%0.36428%0.275SS..PPolyproline II helixtrans-100.4146.2179.300000111.4Q838 L841 P845Q838-A843 CarbonylContact C-O 3.44Å; Q838-A843 HydrophobicContact CB-CB 4.33Å; Q838-A843 WeakPolarHBondContact O-CA 3.33Å; Q838-A843 PolarHBondContact O-N 3.33Å; Q838-A843 VanDerWaalsContact O-O 3.06Å; L841-A843 HydrophobicContact CB-CB 4.44Å; L841-A843 PolarHBondContact O-N 3.23Å; L841-A843 VanDerWaalsContact O-N 3.13Å; A843-P845 WeakPolarHBondContact O-CD 3.47Å
844F73.2Confident82.7Confident171 Ų17158 Ų5875%0.7529%0.286SS*.PPolyproline II helixtrans-68.9123.8175.1-73.2-77.2000111.3
845P76.7Confident82.9Confident14 Ų1460.5 Ų60.59%0.09131%0.306CS..PPolyproline II helixtrans-71.5151.8178.7-10.724.7000111.8V835 Q838 V839 A843 Q847 L850 V877V835-P845 HydrophobicContact CG1-CB 4.07Å; V835-P845 HydrophobicContact CG1-CG 4.18Å; V835-P845 HydrophobicContact CG2-CB 4.29Å; Q838-P845 HydrophobicContact CB-CB 4.26Å; Q838-P845 HydrophobicContact CB-CG 4.25Å; V839-P845 HydrophobicContact CG2-CG 4.22Å; A843-P845 WeakPolarHBondContact O-CD 3.47Å; P845-Q847 PolarHBondContact O-N 2.83Å; P845-Q847 VanDerWaalsContact O-N 3.16Å; P845-L850 HydrophobicContact CB-CD1 3.73Å; P845-L850 HydrophobicContact CB-CG 4.06Å; P845-L850 HydrophobicContact CG-CD1 4.02Å; P845-V877 HydrophobicContact CG-CG2 3.66Å
846K77.3Confident83Confident104 Ų10463.6 Ų63.645%0.45232%0.318SS..PPolyproline II helixtrans-64.5123175-61.9-165.7-170.9177.10109.1E848 M849 L850K846-E848 PolarHBondContact O-N 3.11Å; K846-E848 VanDerWaalsContact O-N 3.1Å; K846-M849 HydrophobicContact CB-CE 3.75Å; K846-M849 HydrophobicContact CB-CG 4.33Å; K846-M849 HydrophobicContact CD-CE 3.6Å; K846-M849 HydrophobicContact CG-CE 3.65Å; K846-M849 PolarHBondContact O-N 3.06Å; K846-L850 PolarHBondContact O-N 2.91Å
847Q79.9Confident83.1Confident169 Ų16965.3 Ų65.379%0.7933%0.327SS*.Hα-helixtrans-55.3-31.7-179.1-73.3-174.9-15.600112.9P845 L850 A851P845-Q847 PolarHBondContact O-N 2.83Å; P845-Q847 VanDerWaalsContact O-N 3.16Å; Q847-L850 PolarHBondContact O-N 3.3Å; Q847-A851 VanDerWaalsContact O-CB 3.26Å; Q847-A851 WeakPolarHBondContact O-CB 3.46Å; Q847-A851 PolarHBondContact O-N 2.95Å
848E83.3Confident83.5Confident141 Ų14171.9 Ų71.966%0.65936%0.358SS*.Hα-helixtrans-63.4-43.8176.8-64.4176.2-179.200113K846 A851 R852K846-E848 PolarHBondContact O-N 3.11Å; K846-E848 VanDerWaalsContact O-N 3.1Å; E848-A851 PolarHBondContact O-N 3.12Å; E848-R852 WeakPolarHBondContact O-CG 3.45Å; E848-R852 PolarHBondContact O-N 2.71Å; E848-R852 VanDerWaalsContact O-N 3.08Å
849M83.7Confident83.8Confident12 Ų1273 Ų736%0.05938%0.376CS..Hα-helixtrans-65.8-45.6177.8-64.8-168.2-119.900110.4D831 R834 V835 K846 A851 R852 L853D831-M849 HydrophobicContact CB-CB 4.4Å; R834-M849 HydrophobicContact CB-CE 4.4Å; R834-M849 HydrophobicContact CB-SD 3.77Å; R834-M849 HydrophobicContact CG-SD 4.42Å; V835-M849 HydrophobicContact CG2-CB 3.89Å; K846-M849 HydrophobicContact CB-CE 3.75Å; K846-M849 HydrophobicContact CB-CG 4.33Å; K846-M849 HydrophobicContact CD-CE 3.6Å; K846-M849 HydrophobicContact CG-CE 3.65Å; K846-M849 PolarHBondContact O-N 3.06Å; M849-A851 VanDerWaalsContact C-N 3.32Å; M849-A851 PolarHBondContact O-N 3.23Å; M849-R852 PolarHBondContact O-N 3.32Å; M849-L853 PolarHBondContact O-N 3.47Å; M849-L853 VanDerWaalsContact O-N 3.08Å
850L84.3Confident84Confident17 Ų1775 Ų759%0.08940%0.402CS..Hα-helixtrans-59.1-42.3175.5-78.8167.8000112.2V835 P845 K846 Q847 R852 L853 N854 L874 V877V835-L850 HydrophobicContact CG1-CD2 3.56Å; V835-L850 HydrophobicContact CG1-CG 4.24Å; V835-L850 HydrophobicContact CG2-CD2 4.29Å; V835-L850 HydrophobicContact CG2-CG 4.27Å; P845-L850 HydrophobicContact CB-CD1 3.73Å; P845-L850 HydrophobicContact CB-CG 4.06Å; P845-L850 HydrophobicContact CG-CD1 4.02Å; K846-L850 PolarHBondContact O-N 2.91Å; Q847-L850 PolarHBondContact O-N 3.3Å; L850-R852 VanDerWaalsContact C-N 3.35Å; L850-R852 PolarHBondContact O-N 3.22Å; L850-L853 PolarHBondContact O-N 3.38Å; L850-N854 WeakPolarHBondContact O-CB 3.44Å; L850-N854 PolarHBondContact O-N 2.86Å; L850-L874 HydrophobicContact CD2-CD2 4.21Å; L850-V877 HydrophobicContact CD1-CB 4.5Å; L850-V877 HydrophobicContact CD1-CG1 3.84Å; L850-V877 HydrophobicContact CD1-CG2 4.2Å; L850-V877 HydrophobicContact CD2-CG2 4.31Å
851A86Confident84.3Confident52 Ų5279.7 Ų79.743%0.4343%0.426SS..Hα-helixtrans-63.8-39.1177.800000112Q847 E848 M849 N854 T855Q847-A851 VanDerWaalsContact O-CB 3.26Å; Q847-A851 WeakPolarHBondContact O-CB 3.46Å; Q847-A851 PolarHBondContact O-N 2.95Å; E848-A851 PolarHBondContact O-N 3.12Å; M849-A851 VanDerWaalsContact C-N 3.32Å; M849-A851 PolarHBondContact O-N 3.23Å; A851-N854 PolarHBondContact O-N 3.04Å; A851-T855 WeakPolarHBondContact O-CB 3.31Å; A851-T855 PolarHBondContact O-N 3.13Å; A851-T855 PolarHBondContact O-OG1 3.1Å
852R88.4Confident84.8Confident85 Ų8576.4 Ų76.432%0.32141%0.412SS..Hα-helixtrans-63.9-46.3175.4-72.9-169.6-62.8-107.215.6112.2D826 D831 E848 M849 L850 T855 R856D826-R852 IonicContact OD1-NH2 3.9Å; D831-R852 IonicContact OD1-CZ 3.88Å; D831-R852 IonicContact OD1-NH2 2.9Å; D831-R852 PolarHBondContact OD1-NH2 3.27Å; D831-R852 IonicContact OD2-CZ 3.37Å; D831-R852 IonicContact OD2-NE 2.76Å; D831-R852 PolarHBondContact OD2-NE 3.09Å; D831-R852 IonicContact OD2-NH2 3.12Å; D831-R852 PolarHBondContact OD2-NH2 3.07Å; D831-R852 VanDerWaalsContact OD2-NH2 3.12Å; E848-R852 WeakPolarHBondContact O-CG 3.45Å; E848-R852 PolarHBondContact O-N 2.71Å; E848-R852 VanDerWaalsContact O-N 3.08Å; M849-R852 PolarHBondContact O-N 3.32Å; L850-R852 VanDerWaalsContact C-N 3.35Å; L850-R852 PolarHBondContact O-N 3.22Å; R852-T855 PolarHBondContact O-N 3.38Å; R852-R856 WeakPolarHBondContact O-CG 3.3Å; R852-R856 PolarHBondContact O-N 2.85Å; R852-R856 VanDerWaalsContact O-N 3.15Å
853L89.8Confident85.5Confident2 Ų271.9 Ų71.91%0.0139%0.391CS..Hα-helixtrans-61.9-44.3175.8-66.7173.8000111.5D831 L832 V835 M849 L850 T855 R856 L857 T870D831-L853 HydrophobicContact CB-CD1 4.45Å; D831-L853 HydrophobicContact CB-CD2 4.18Å; D831-L853 HydrophobicContact CB-CG 4.23Å; L832-L853 HydrophobicContact CB-CD2 4.38Å; L832-L853 HydrophobicContact CD1-CD1 4.21Å; L832-L853 HydrophobicContact CD1-CD2 4.3Å; V835-L853 HydrophobicContact CB-CD1 4.34Å; V835-L853 HydrophobicContact CG2-CD1 3.99Å; M849-L853 PolarHBondContact O-N 3.47Å; M849-L853 VanDerWaalsContact O-N 3.08Å; L850-L853 PolarHBondContact O-N 3.38Å; L853-T855 PolarHBondContact O-N 3.36Å; L853-R856 PolarHBondContact O-N 3.05Å; L853-L857 PolarHBondContact O-N 3.15Å; L853-T870 HydrophobicContact CB-CG2 3.82Å
854N90.2Very high86.3Confident46 Ų4672.5 Ų72.525%0.24639%0.391CS..Hα-helixtrans-63.7-39.8177.8-169.263.2000112.3L850 A851 R856 L857 E858 L874L850-N854 WeakPolarHBondContact O-CB 3.44Å; L850-N854 PolarHBondContact O-N 2.86Å; A851-N854 PolarHBondContact O-N 3.04Å; N854-R856 VanDerWaalsContact C-N 3.32Å; N854-R856 PolarHBondContact O-N 3.08Å; N854-L857 WeakPolarHBondContact O-CB 3.4Å; N854-L857 PolarHBondContact O-N 2.82Å; N854-E858 PolarHBondContact ND2-OE1 3.26Å; N854-E858 WeakPolarHBondContact O-CG 3.14Å; N854-E858 PolarHBondContact O-N 3.43Å; N854-L874 HydrophobicContact CB-CD1 4.3Å; N854-L874 HydrophobicContact CB-CD2 4.43Å; N854-L874 VanDerWaalsContact OD1-CD1 3.26Å; N854-L874 WeakPolarHBondContact OD1-CD1 3.47Å
855T90.9Very high87.2Confident92 Ų9264.3 Ų64.356%0.56436%0.355SS*.Hα-helixtrans-62.3-40177.2-54.80000111.5A851 R852 L853 G859A851-T855 WeakPolarHBondContact O-CB 3.31Å; A851-T855 PolarHBondContact O-N 3.13Å; A851-T855 PolarHBondContact O-OG1 3.1Å; R852-T855 PolarHBondContact O-N 3.38Å; L853-T855 PolarHBondContact O-N 3.36Å; T855-G859 PolarHBondContact O-N 3.08Å
856R90.9Very high88.1Confident65 Ų6564 Ų6425%0.24535%0.352CS..Hα-helixtrans-67.8-39.6175.9-71.7176.65466.73.6112.5P828 R852 L853 N854 G859 G860 D861 A862 E866P828-R856 VanDerWaalsContact CB-NE 3.35Å; R852-R856 WeakPolarHBondContact O-CG 3.3Å; R852-R856 PolarHBondContact O-N 2.85Å; R852-R856 VanDerWaalsContact O-N 3.15Å; L853-R856 PolarHBondContact O-N 3.05Å; N854-R856 VanDerWaalsContact C-N 3.32Å; N854-R856 PolarHBondContact O-N 3.08Å; R856-G859 PolarHBondContact O-N 3.41Å; R856-G860 PolarHBondContact O-N 3.06Å; R856-G860 VanDerWaalsContact O-N 3.14Å; R856-D861 PolarHBondContact NH2-O 3.35Å; R856-D861 PolarHBondContact O-N 3.09Å; R856-D861 VanDerWaalsContact O-N 3.1Å; R856-A862 HydrophobicContact CB-CB 4.46Å; R856-A862 PolarHBondContact O-N 3.49Å; R856-E866 IonicContact CZ-OE1 3.74Å; R856-E866 IonicContact CZ-OE2 2.75Å; R856-E866 IonicContact NE-OE1 3.73Å; R856-E866 PolarHBondContact NE-OE1 2.97Å; R856-E866 IonicContact NE-OE2 3.98Å; R856-E866 IonicContact NH2-OE1 2.87Å; R856-E866 PolarHBondContact NH2-OE1 3.47Å; R856-E866 IonicContact NH2-OE2 3.13Å; R856-E866 PolarHBondContact NH2-OE2 3.24Å
857L91.5Very high88.8Confident35 Ų3559.7 Ų59.718%0.18334%0.336CS..Hα-helixtrans-61.4-47.7174.9177.565000111.3L853 N854 G860 A867 T870 R871 L874L853-L857 PolarHBondContact O-N 3.15Å; N854-L857 WeakPolarHBondContact O-CB 3.4Å; N854-L857 PolarHBondContact O-N 2.82Å; L857-G860 PolarHBondContact O-N 3.43Å; L857-A867 HydrophobicContact CD1-CB 3.6Å; L857-T870 HydrophobicContact CB-CG2 4.38Å; L857-T870 HydrophobicContact CD2-CG2 4.13Å; L857-R871 HydrophobicContact CD1-CG 4.32Å; L857-R871 HydrophobicContact CD2-CG 3.77Å; L857-L874 HydrophobicContact CD2-CD1 4.06Å
858E91.6Very high89.4Confident150 Ų15052 Ų5270%0.70130%0.3SS*.Hα-helixtrans-69-34.1178.5-71.9177.4-174.500112.8N854 G860N854-E858 PolarHBondContact ND2-OE1 3.26Å; N854-E858 WeakPolarHBondContact O-CG 3.14Å; N854-E858 PolarHBondContact O-N 3.43Å; E858-G860 VanDerWaalsContact C-N 3.3Å; E858-G860 PolarHBondContact O-N 3.43Å
859G89.3Confident89.9Confident52 Ų5245.3 Ų45.354%0.53627%0.269SS..Hα-helixtrans-74.1-15.8177.200000114.7T855 R856 D861T855-G859 PolarHBondContact O-N 3.08Å; R856-G859 PolarHBondContact O-N 3.41Å; G859-D861 VanDerWaalsContact C-N 3.27Å
860G87.1Confident90.4Very high63 Ų6344.8 Ų44.865%0.64927%0.266SS*.THydrogen-bonded Turntrans7611.7-173.700000114.3R856 L857 E858 A862R856-G860 PolarHBondContact O-N 3.06Å; R856-G860 VanDerWaalsContact O-N 3.14Å; L857-G860 PolarHBondContact O-N 3.43Å; E858-G860 VanDerWaalsContact C-N 3.3Å; E858-G860 PolarHBondContact O-N 3.43Å; G860-A862 VanDerWaalsContact C-N 3.33Å
861D87.7Confident90.7Very high116 Ų11649.6 Ų49.662%0.6228%0.283SS*.  trans-85.1-8.3179.2-67-38.3000113R856 G859R856-D861 PolarHBondContact NH2-O 3.35Å; R856-D861 PolarHBondContact O-N 3.09Å; R856-D861 VanDerWaalsContact O-N 3.1Å; G859-D861 VanDerWaalsContact C-N 3.27Å
862A88.3Confident90.9Very high20 Ų2048 Ų4817%0.16527%0.267CS..SBendtrans-73.2137.9-179.900000111.4R856 G860 E866 A867R856-A862 HydrophobicContact CB-CB 4.46Å; R856-A862 PolarHBondContact O-N 3.49Å; G860-A862 VanDerWaalsContact C-N 3.33Å; A862-E866 WeakPolarHBondContact CA-OE2 3.49Å; A862-E866 HydrophobicContact CB-CB 4.39Å; A862-E866 HydrophobicContact CB-CG 4.18Å; A862-A867 HydrophobicContact CB-CB 4.16Å
863H90.2Very high90.8Very high60 Ų6044 Ų4428%0.27825%0.252SS..  trans-58146167.3-176.9-94.3000109.7L720 L865 E866 A867L720-H863 VanDerWaalsContact CD2-CE1 3.47Å; L720-H863 WeakPolarHBondContact CD2-CE1 3.44Å; H863-L865 PolarHBondContact ND1-N 3.43Å; H863-L865 PolarHBondContact O-N 2.93Å; H863-L865 VanDerWaalsContact O-N 3.12Å; H863-E866 HydrophobicContact CB-CB 3.91Å; H863-E866 PolarHBondContact N-OE2 2.74Å; H863-E866 VanDerWaalsContact N-OE2 3.1Å; H863-E866 CarbonylContact O-C 3.57Å; H863-E866 WeakPolarHBondContact O-CA 3.44Å; H863-E866 VanDerWaalsContact O-CB 3.3Å; H863-E866 WeakPolarHBondContact O-CB 3.33Å; H863-E866 PolarHBondContact O-N 2.94Å; H863-A867 PolarHBondContact O-N 3.42Å
864P91.5Very high90.7Very high56 Ų5645.3 Ų45.336%0.36426%0.259SS..Hα-helixtrans-51.8-41.7-177.3-29.835.8000113.9L720 A867 I868L720-P864 HydrophobicContact CD2-CB 4.12Å; L720-P864 HydrophobicContact CD2-CG 4Å; L720-P864 HydrophobicContact CG-CB 4.25Å; L720-P864 HydrophobicContact CG-CG 4.39Å; P864-A867 WeakPolarHBondContact O-CB 3.13Å; P864-A867 PolarHBondContact O-N 3.17Å; P864-I868 WeakPolarHBondContact O-CG1 3.46Å; P864-I868 PolarHBondContact O-N 3.01Å; P864-I868 VanDerWaalsContact O-N 3.16Å
865L93.7Very high90.4Very high0 Ų047.2 Ų47.20%027%0.272CS..Hα-helixtrans-71.1-35.9175.2-56.7-179000113.4L720 L739 W742 C747 Y750 L754 H863 A867 I868 V869L720-L865 HydrophobicContact CD1-CD1 4.46Å; L720-L865 HydrophobicContact CD1-CD2 3.79Å; L720-L865 HydrophobicContact CD1-CG 4.04Å; L739-L865 HydrophobicContact CD1-CD2 3.76Å; L739-L865 HydrophobicContact CG-CD2 4.5Å; W742-L865 HydrophobicContact CZ3-CD1 4.04Å; C747-L865 WeakPolarHBondContact SG-CD1 3.43Å; Y750-L865 HydrophobicContact CD1-CB 3.75Å; Y750-L865 HydrophobicContact CD2-CD1 4.17Å; Y750-L865 HydrophobicContact CE1-CB 4.07Å; Y750-L865 HydrophobicContact CG-CB 4.01Å; Y750-L865 HydrophobicContact CG-CD1 3.95Å; L754-L865 HydrophobicContact CD1-CD1 4.19Å; L754-L865 HydrophobicContact CD1-CD2 4.11Å; L754-L865 HydrophobicContact CD2-CD2 4.19Å; H863-L865 PolarHBondContact ND1-N 3.43Å; H863-L865 PolarHBondContact O-N 2.93Å; H863-L865 VanDerWaalsContact O-N 3.12Å; L865-A867 VanDerWaalsContact C-N 3.28Å; L865-A867 PolarHBondContact O-N 2.82Å; L865-I868 HydrophobicContact CD2-CD1 4.44Å; L865-I868 PolarHBondContact O-N 3.29Å; L865-V869 VanDerWaalsContact O-CG2 3.3Å; L865-V869 WeakPolarHBondContact O-CG2 3.41Å; L865-V869 PolarHBondContact O-N 3.44Å
866E93.6Very high89.7Confident8 Ų845 Ų454%0.03726%0.255CS..Hα-helixtrans-61.2-41.2173.3177.8-168.2169.700109.9Y750 L832 R856 A862 H863 V869 T870Y750-E866 HydrophobicContact CE1-CB 4.19Å; L832-E866 HydrophobicContact CD2-CG 4.44Å; R856-E866 IonicContact CZ-OE1 3.74Å; R856-E866 IonicContact CZ-OE2 2.75Å; R856-E866 IonicContact NE-OE1 3.73Å; R856-E866 PolarHBondContact NE-OE1 2.97Å; R856-E866 IonicContact NE-OE2 3.98Å; R856-E866 IonicContact NH2-OE1 2.87Å; R856-E866 PolarHBondContact NH2-OE1 3.47Å; R856-E866 IonicContact NH2-OE2 3.13Å; R856-E866 PolarHBondContact NH2-OE2 3.24Å; A862-E866 WeakPolarHBondContact CA-OE2 3.49Å; A862-E866 HydrophobicContact CB-CB 4.39Å; A862-E866 HydrophobicContact CB-CG 4.18Å; H863-E866 HydrophobicContact CB-CB 3.91Å; H863-E866 PolarHBondContact N-OE2 2.74Å; H863-E866 VanDerWaalsContact N-OE2 3.1Å; H863-E866 CarbonylContact O-C 3.57Å; H863-E866 WeakPolarHBondContact O-CA 3.44Å; H863-E866 VanDerWaalsContact O-CB 3.3Å; H863-E866 WeakPolarHBondContact O-CB 3.33Å; H863-E866 PolarHBondContact O-N 2.94Å; E866-V869 PolarHBondContact O-N 3.45Å; E866-T870 WeakPolarHBondContact O-CB 3.5Å; E866-T870 PolarHBondContact O-N 3.09Å; E866-T870 PolarHBondContact O-OG1 3.12Å
867A92.8Very high88.8Confident13 Ų1344.5 Ų44.511%0.10726%0.259CS..Hα-helixtrans-62.7-45.617800000111.8L857 A862 H863 P864 L865 T870 R871L857-A867 HydrophobicContact CD1-CB 3.6Å; A862-A867 HydrophobicContact CB-CB 4.16Å; H863-A867 PolarHBondContact O-N 3.42Å; P864-A867 WeakPolarHBondContact O-CB 3.13Å; P864-A867 PolarHBondContact O-N 3.17Å; L865-A867 VanDerWaalsContact C-N 3.28Å; L865-A867 PolarHBondContact O-N 2.82Å; A867-T870 PolarHBondContact O-N 2.99Å; A867-R871 WeakPolarHBondContact O-CG 3.26Å; A867-R871 PolarHBondContact O-N 3.37Å
868I93.6Very high87.5Confident7 Ų750.8 Ų50.84%0.03629%0.285CS..Hα-helixtrans-59-51176-70.1170.3000110.8C724 W727 L739 L754 V757 P864 L865 T870 R871 M872C724-I868 HydrophobicContact CB-CD1 4.3Å; W727-I868 HydrophobicContact CE3-CD1 4.32Å; W727-I868 HydrophobicContact CH2-CG2 4.14Å; W727-I868 HydrophobicContact CZ3-CG2 4Å; L739-I868 HydrophobicContact CD2-CD1 4.47Å; L754-I868 HydrophobicContact CD2-CG2 4.24Å; V757-I868 HydrophobicContact CG1-CG2 3.82Å; V757-I868 HydrophobicContact CG2-CG2 4.32Å; P864-I868 WeakPolarHBondContact O-CG1 3.46Å; P864-I868 PolarHBondContact O-N 3.01Å; P864-I868 VanDerWaalsContact O-N 3.16Å; L865-I868 HydrophobicContact CD2-CD1 4.44Å; L865-I868 PolarHBondContact O-N 3.29Å; I868-T870 PolarHBondContact O-N 3.48Å; I868-R871 PolarHBondContact O-N 2.78Å; I868-M872 PolarHBondContact O-N 3.34Å
869V93.5Very high85.6Confident0 Ų048.6 Ų48.60%028%0.277CS..Hα-helixtrans-64-44.1-179.31770000111L753 L754 V757 L832 L865 E866 R871 M872 L873L753-V869 HydrophobicContact CB-CG1 4Å; L753-V869 HydrophobicContact CB-CG2 3.84Å; L753-V869 HydrophobicContact CD1-CG1 4.44Å; L754-V869 HydrophobicContact CD2-CG2 4.19Å; V757-V869 HydrophobicContact CG2-CB 4.31Å; V757-V869 HydrophobicContact CG2-CG2 3.94Å; L832-V869 HydrophobicContact CD1-CB 4.14Å; L832-V869 HydrophobicContact CD1-CG1 3.68Å; L832-V869 HydrophobicContact CD2-CB 4.39Å; L832-V869 HydrophobicContact CD2-CG1 4.21Å; L832-V869 HydrophobicContact CG-CG1 4.03Å; L865-V869 VanDerWaalsContact O-CG2 3.3Å; L865-V869 WeakPolarHBondContact O-CG2 3.41Å; L865-V869 PolarHBondContact O-N 3.44Å; E866-V869 PolarHBondContact O-N 3.45Å; V869-R871 PolarHBondContact O-N 2.82Å; V869-M872 PolarHBondContact O-N 3.38Å; V869-L873 HydrophobicContact CG1-CD1 3.86Å; V869-L873 HydrophobicContact CG1-CG 4.27Å; V869-L873 WeakPolarHBondContact O-CG 3.24Å; V869-L873 PolarHBondContact O-N 2.84Å
870T92.8Very high83.3Confident1 Ų154.6 Ų54.61%0.00629%0.291CS..Hα-helixtrans-60.5-43.2-179.9-60.90000111.7L853 L857 E866 A867 I868 M872 L873 L874L853-T870 HydrophobicContact CB-CG2 3.82Å; L857-T870 HydrophobicContact CB-CG2 4.38Å; L857-T870 HydrophobicContact CD2-CG2 4.13Å; E866-T870 WeakPolarHBondContact O-CB 3.5Å; E866-T870 PolarHBondContact O-N 3.09Å; E866-T870 PolarHBondContact O-OG1 3.12Å; A867-T870 PolarHBondContact O-N 2.99Å; I868-T870 PolarHBondContact O-N 3.48Å; T870-M872 VanDerWaalsContact C-N 3.32Å; T870-M872 PolarHBondContact O-N 3.35Å; T870-L873 PolarHBondContact O-N 3.03Å; T870-L874 HydrophobicContact CG2-CD1 3.91Å; T870-L874 HydrophobicContact CG2-CG 4.27Å; T870-L874 WeakPolarHBondContact O-CB 3.26Å; T870-L874 VanDerWaalsContact O-CG 3.28Å; T870-L874 WeakPolarHBondContact O-CG 3.42Å; T870-L874 PolarHBondContact O-N 2.74Å
871R91.8Very high81Confident118 Ų11856.1 Ų56.145%0.44529%0.29SS..Hα-helixtrans-59.9-41.6176.8-74.4176.4-1721647.4112.3E728 L857 A867 I868 V869 T875E728-R871 IonicContact OE1-CZ 2.79Å; E728-R871 IonicContact OE1-NH1 3.69Å; E728-R871 PolarHBondContact OE1-NH1 3.21Å; E728-R871 IonicContact OE1-NH2 3.54Å; L857-R871 HydrophobicContact CD1-CG 4.32Å; L857-R871 HydrophobicContact CD2-CG 3.77Å; A867-R871 WeakPolarHBondContact O-CG 3.26Å; A867-R871 PolarHBondContact O-N 3.37Å; I868-R871 PolarHBondContact O-N 2.78Å; V869-R871 PolarHBondContact O-N 2.82Å; R871-T875 PolarHBondContact O-N 2.73Å; R871-T875 VanDerWaalsContact O-N 3.11Å; R871-T875 PolarHBondContact O-OG1 3.15Å
872M88.9Confident78.4Confident18 Ų1859.3 Ų59.39%0.08930%0.301CS..Hα-helixtrans-64.5-48.4176.3178.9-84.5-64.300111.5M756 V757 A760 I868 V869 T870 L874 T875 K876M756-M872 HydrophobicContact CB-CE 3.93Å; M756-M872 HydrophobicContact CE-CE 4.42Å; V757-M872 HydrophobicContact CB-CB 4.48Å; V757-M872 HydrophobicContact CG1-CB 4.27Å; V757-M872 HydrophobicContact CG2-CB 3.91Å; V757-M872 HydrophobicContact CG2-CE 3.72Å; V757-M872 HydrophobicContact CG2-CG 4.23Å; A760-M872 HydrophobicContact CB-CG 3.92Å; A760-M872 HydrophobicContact CB-SD 4.3Å; I868-M872 PolarHBondContact O-N 3.34Å; V869-M872 PolarHBondContact O-N 3.38Å; T870-M872 VanDerWaalsContact C-N 3.32Å; T870-M872 PolarHBondContact O-N 3.35Å; M872-L874 VanDerWaalsContact C-N 3.32Å; M872-L874 PolarHBondContact O-N 2.67Å; M872-T875 WeakPolarHBondContact O-CB 3.22Å; M872-T875 PolarHBondContact O-N 2.79Å; M872-K876 PolarHBondContact O-N 3.18Å; M872-K876 HydrophobicContact SD-CG 4.05Å
873L88Confident75.6Confident1 Ų166 Ų661%0.00533%0.334CS..Hα-helixtrans-59.3-43.5179-66.5172.1000111.4L832 V835 A836 V839 V869 T870 T875 K876 V877L832-L873 HydrophobicContact CD1-CD1 3.96Å; V835-L873 HydrophobicContact CB-CD1 4.29Å; V835-L873 HydrophobicContact CG1-CB 4.16Å; V835-L873 HydrophobicContact CG1-CD1 3.88Å; V835-L873 HydrophobicContact CG1-CD2 4.39Å; V835-L873 HydrophobicContact CG1-CG 4.37Å; A836-L873 HydrophobicContact CB-CD1 4.39Å; A836-L873 HydrophobicContact CB-CD2 4.15Å; V839-L873 HydrophobicContact CB-CD2 4.29Å; V839-L873 HydrophobicContact CG2-CD2 3.98Å; V869-L873 HydrophobicContact CG1-CD1 3.86Å; V869-L873 HydrophobicContact CG1-CG 4.27Å; V869-L873 WeakPolarHBondContact O-CG 3.24Å; V869-L873 PolarHBondContact O-N 2.84Å; T870-L873 PolarHBondContact O-N 3.03Å; L873-T875 VanDerWaalsContact C-N 3.27Å; L873-T875 PolarHBondContact O-N 2.62Å; L873-K876 PolarHBondContact O-N 3.17Å; L873-V877 VanDerWaalsContact O-CG2 3.25Å; L873-V877 WeakPolarHBondContact O-CG2 3.41Å; L873-V877 PolarHBondContact O-N 3.41Å
874L87.4Confident72.8Confident30 Ų3070.4 Ų70.416%0.15736%0.355CS..Hα-helixtrans-62.3-32.8175.6-71.7171.2000113L850 N854 L857 T870 M872 K878L850-L874 HydrophobicContact CD2-CD2 4.21Å; N854-L874 HydrophobicContact CB-CD1 4.3Å; N854-L874 HydrophobicContact CB-CD2 4.43Å; N854-L874 VanDerWaalsContact OD1-CD1 3.26Å; N854-L874 WeakPolarHBondContact OD1-CD1 3.47Å; L857-L874 HydrophobicContact CD2-CD1 4.06Å; T870-L874 HydrophobicContact CG2-CD1 3.91Å; T870-L874 HydrophobicContact CG2-CG 4.27Å; T870-L874 WeakPolarHBondContact O-CB 3.26Å; T870-L874 VanDerWaalsContact O-CG 3.28Å; T870-L874 WeakPolarHBondContact O-CG 3.42Å; T870-L874 PolarHBondContact O-N 2.74Å; M872-L874 VanDerWaalsContact C-N 3.32Å; M872-L874 PolarHBondContact O-N 2.67Å; L874-K878 WeakPolarHBondContact O-CD 3.42Å; L874-K878 VanDerWaalsContact O-CG 3.26Å; L874-K878 WeakPolarHBondContact O-CG 3.36Å; L874-K878 PolarHBondContact O-N 3.28Å
875T83.9Confident69.8Low86 Ų8675.5 Ų75.553%0.52838%0.379SS..Hα-helixtrans-72.1-41.9177.2-560000111R871 M872 L873 K878R871-T875 PolarHBondContact O-N 2.73Å; R871-T875 VanDerWaalsContact O-N 3.11Å; R871-T875 PolarHBondContact O-OG1 3.15Å; M872-T875 WeakPolarHBondContact O-CB 3.22Å; M872-T875 PolarHBondContact O-N 2.79Å; L873-T875 VanDerWaalsContact C-N 3.27Å; L873-T875 PolarHBondContact O-N 2.62Å; T875-K878 PolarHBondContact O-N 2.72Å
876K75.1Confident67Low47 Ų4781.5 Ų81.520%0.20442%0.415CS..Hα-helixtrans-69.2-36.9179.2-73.6-70.5172.2-179.90113.5Y773 V839 M872 L873 K878 L879Y773-K876 WeakPolarHBondContact OH-CE 3.46Å; Y773-K876 PolarHBondContact OH-NZ 3.02Å; Y773-K876 VanDerWaalsContact OH-NZ 3.15Å; V839-K876 HydrophobicContact CG1-CB 4.32Å; M872-K876 PolarHBondContact O-N 3.18Å; M872-K876 HydrophobicContact SD-CG 4.05Å; L873-K876 PolarHBondContact O-N 3.17Å; K876-K878 VanDerWaalsContact C-N 3.26Å; K876-K878 PolarHBondContact O-N 3.35Å; K876-L879 HydrophobicContact CD-CD1 4.35Å; K876-L879 PolarHBondContact O-N 2.98Å
877V72.8Confident63.9Low54 Ų5488.3 Ų88.333%0.32745%0.452SS..Hα-helixtrans-69.2-24.2177.6175.60000112.7V839 P845 L850 L873V839-V877 HydrophobicContact CG2-CG2 4.12Å; P845-V877 HydrophobicContact CG-CG2 3.66Å; L850-V877 HydrophobicContact CD1-CB 4.5Å; L850-V877 HydrophobicContact CD1-CG1 3.84Å; L850-V877 HydrophobicContact CD1-CG2 4.2Å; L850-V877 HydrophobicContact CD2-CG2 4.31Å; L873-V877 VanDerWaalsContact O-CG2 3.25Å; L873-V877 WeakPolarHBondContact O-CG2 3.41Å; L873-V877 PolarHBondContact O-N 3.41Å
878K64.3Low60.9Low167 Ų16796.4 Ų96.473%0.72649%0.488SS*.THydrogen-bonded Turntrans-79.5-17.6177.5-74.9174.6-175.8179.10114L874 T875 K876 E880L874-K878 WeakPolarHBondContact O-CD 3.42Å; L874-K878 VanDerWaalsContact O-CG 3.26Å; L874-K878 WeakPolarHBondContact O-CG 3.36Å; L874-K878 PolarHBondContact O-N 3.28Å; T875-K878 PolarHBondContact O-N 2.72Å; K876-K878 VanDerWaalsContact C-N 3.26Å; K876-K878 PolarHBondContact O-N 3.35Å; K878-E880 PolarHBondContact O-N 3.16Å
879L52.3Low57.8Low103 Ų103101.8 Ų101.854%0.53952%0.523SS..  trans-81.298.3178.2-71.7160.7000108.3K876K876-L879 HydrophobicContact CD-CD1 4.35Å; K876-L879 PolarHBondContact O-N 2.98Å
880E40.8Very low54.5Low178 Ų178108 Ų10883%0.83256%0.561SS**PPolyproline II helixtrans-58.9149.3172.6-67.2174.6156.300111.4K878K878-E880 PolarHBondContact O-N 3.16Å
881P38.6Very low51.5Low95 Ų95113.1 Ų113.162%0.61759%0.594SS**PPolyproline II helixtrans-74.2119.115427.4-23.1000108.6D883P881-D883 PolarHBondContact O-N 2.87Å
882E32.3Very low48.4Very low184 Ų184115.5 Ų115.586%0.8661%0.61SS**PPolyproline II helixtrans-58.8123.6153.7-72.7-172.3155.600106.6E884E882-E884 VanDerWaalsContact C-N 3.31Å; E882-E884 PolarHBondContact O-N 3.29Å
883D29.7Very low45.4Very low159 Ų159122.2 Ų122.285%0.8565%0.646SS**  trans-57.391.3175.8-73.1-44.3000109.3P881P881-D883 PolarHBondContact O-N 2.87Å
884E31.5Very low42.5Very low154 Ų154130 Ų13072%0.7268%0.683SS**  trans-80.9118.9153.2-77.3-171.3154.400106.5E882 V886E882-E884 VanDerWaalsContact C-N 3.31Å; E882-E884 PolarHBondContact O-N 3.29Å; E884-V886 VanDerWaalsContact C-N 3.25Å; E884-V886 PolarHBondContact O-N 3.31Å
885D29.3Very low39.5Very low163 Ų163136.9 Ų136.987%0.87271%0.714SS**  trans-50.684.1174.4-65.9-57.9000111
886V33.4Very low36.7Very low125 Ų125141.4 Ų141.476%0.75873%0.729SS**  trans-89.8104.3167.1179.80000106E884 E888E884-V886 VanDerWaalsContact C-N 3.25Å; E884-V886 PolarHBondContact O-N 3.31Å; V886-E888 PolarHBondContact O-N 3.41Å
887D29.8Very low34.3Very low152 Ų152147.9 Ų147.981%0.81376%0.757SS**  trans-38.8120.7170.8-76.7-51.7000110.5
888E28.4Very low32Very low183 Ų183152.1 Ų152.186%0.85578%0.778SS**  trans-46123.6175.8-85.7179.8148.600109.9V886 T890V886-E888 PolarHBondContact O-N 3.41Å; E888-T890 PolarHBondContact O-N 2.79Å
889P28.6Very low30.3Very low120 Ų120152.3 Ų152.378%0.77979%0.787SS**  trans-64113.8175.124.7-31.2000108.4P891P889-P891 WeakPolarHBondContact O-CD 3.34Å; P889-P891 VanDerWaalsContact O-N 3.11Å
890T25.8Very low29Very low131 Ų131156.3 Ų156.380%0.80480%0.803SS**  trans-45.1117.5174.4-22.60000109.7E888 E892E888-T890 PolarHBondContact O-N 2.79Å; T890-E892 PolarHBondContact O-N 3.48Å
891P28.5Very low28.4Very low107 Ų107151.1 Ų151.170%0.69580%0.797SS**  trans-69.5116.8-17926.7-32.9000108.8P889 N893P889-P891 WeakPolarHBondContact O-CD 3.34Å; P889-P891 VanDerWaalsContact O-N 3.11Å; P891-N893 PolarHBondContact O-N 2.95Å; P891-N893 VanDerWaalsContact O-N 3.12Å
892E27.9Very low27.9Very low169 Ų169156.3 Ų156.379%0.7981%0.813SS**  trans-61115.5165.1-76-172.615500108.1T890 H894T890-E892 PolarHBondContact O-N 3.48Å; E892-H894 VanDerWaalsContact C-N 3.34Å; E892-H894 PolarHBondContact O-N 3.46Å
893N24.8Very low27.9Very low158 Ų158156.5 Ų156.585%0.84581%0.811SS**  trans-57.891.1176.9-76.4-40.5000110.7P891P891-N893 PolarHBondContact O-N 2.95Å; P891-N893 VanDerWaalsContact O-N 3.12Å
894H27.5Very low28.1Very low165 Ų165155 Ų15576%0.76481%0.811SS**  trans-90.3103.8155.1-79.4-68.1000107.6E892 E896E892-H894 VanDerWaalsContact C-N 3.34Å; E892-H894 PolarHBondContact O-N 3.46Å; H894-E896 PolarHBondContact O-N 3.4Å
895E25.1Very low28.3Very low174 Ų174154.5 Ų154.581%0.81381%0.808SS**  trans-53.3104173.4-71.1-177.9154.700110.3K897E895-K897 PolarHBondContact O-N 2.9Å
896E25.2Very low28.6Very low182 Ų182150 Ų15085%0.8579%0.79SS**  trans-63.3102.4164-77.4-176147.600108.8H894 N898H894-E896 PolarHBondContact O-N 3.4Å; E896-N898 PolarHBondContact O-N 3.39Å
897K24.8Very low29.3Very low182 Ų182150.2 Ų150.279%0.79179%0.785SS**  trans-78.8111.7159.8-79.6-175.8177172.50108.3E895 D899E895-K897 PolarHBondContact O-N 2.9Å; K897-D899 PolarHBondContact O-N 3.47Å; K897-D899 VanDerWaalsContact O-N 3.14Å
898N24.6Very low29.9Very low144 Ų144147.6 Ų147.677%0.7778%0.775SS**  trans-49.6109.4170.2-70.5-35.2000111.5E896 E900E896-N898 PolarHBondContact O-N 3.39Å; N898-E900 PolarHBondContact O-N 3.47Å
899D27.4Very low30.7Very low171 Ų171141.4 Ų141.491%0.91475%0.751SS**  trans-83.896.9164.7-88.6-29.4000109.3K897K897-D899 PolarHBondContact O-N 3.47Å; K897-D899 VanDerWaalsContact O-N 3.14Å
900E26.1Very low31.9Very low187 Ų187140 Ų14087%0.87474%0.737SS**  trans-72.6119.1167-73-174.2159.900110.9N898N898-E900 PolarHBondContact O-N 3.47Å
901G28.1Very low33.5Very low69 Ų69138.3 Ų138.371%0.71172%0.721SS**  trans72.881.8141.500000117.7K903G901-K903 PolarHBondContact O-N 2.96Å; G901-K903 VanDerWaalsContact O-N 3.1Å
902E28.2Very low34.6Very low203 Ų203140.7 Ų140.795%0.94972%0.721SS**  trans-59.3109.9163.2-72.4-172.4147.700111.4
903K30.6Very low36.5Very low188 Ų188137.5 Ų137.582%0.81771%0.708SS**PPolyproline II helixtrans-79.4140162.2-78.3178.3179.5170.40109.4G901 Q905G901-K903 PolarHBondContact O-N 2.96Å; G901-K903 VanDerWaalsContact O-N 3.1Å; K903-Q905 PolarHBondContact O-N 3.42Å
904P35.4Very low38.5Very low129 Ų129133 Ų13384%0.83869%0.689SS**PPolyproline II helixtrans-65.5122.1-173.426.2-32.4000110.6S906P904-S906 PolarHBondContact O-N 2.93Å
905Q35.6Very low40.2Very low143 Ų143130.1 Ų130.167%0.66868%0.679SS**PPolyproline II helixtrans-60.7123.8-179.8-67.2-179.2-6.800110.1K903K903-Q905 PolarHBondContact O-N 3.42Å
906S35.8Very low42.4Very low69 Ų69125.6 Ų125.648%0.48366%0.663SS.*PPolyproline II helixtrans-69.6148178.476.10000110.9P904 T908 S909P904-S906 PolarHBondContact O-N 2.93Å; S906-T908 PolarHBondContact O-N 3.35Å; S906-T908 PolarHBondContact OG-OG1 3.38Å; S906-S909 PolarHBondContact O-N 3.5Å
907I46.3Very low44.6Very low129 Ų129121.5 Ų121.566%0.66265%0.65SS**Hα-helixtrans-46.2-28.3-177.8-66.9167.4000113.2S909 I910 I911I907-S909 VanDerWaalsContact C-N 3.32Å; I907-S909 PolarHBondContact O-N 2.89Å; I907-I910 PolarHBondContact O-N 3.43Å; I907-I911 HydrophobicContact CG2-CD1 3.95Å; I907-I911 HydrophobicContact CG2-CG1 4.46Å; I907-I911 WeakPolarHBondContact O-CG1 3.3Å; I907-I911 PolarHBondContact O-N 3.13Å; I907-I911 VanDerWaalsContact O-N 3.15Å
908T44.1Very low46.6Very low97 Ų97118.9 Ų118.960%0.59564%0.644SS**Hα-helixtrans-63.5-32.3177.7-7.70000113.6S906 K912S906-T908 PolarHBondContact O-N 3.35Å; S906-T908 PolarHBondContact OG-OG1 3.38Å; T908-K912 PolarHBondContact O-N 3.27Å
909S43.6Very low48.6Very low52 Ų52116.3 Ų116.336%0.36463%0.634SS.*Hα-helixtrans-74.2-39177.8-58.90000111.8S906 I907 K912 I913S906-S909 PolarHBondContact O-N 3.5Å; I907-S909 VanDerWaalsContact C-N 3.32Å; I907-S909 PolarHBondContact O-N 2.89Å; S909-K912 PolarHBondContact O-N 2.92Å; S909-I913 WeakPolarHBondContact O-CG1 3.34Å; S909-I913 PolarHBondContact O-N 3.45Å
910I55.8Low50.6Low92 Ų92112.5 Ų112.547%0.47261%0.612SS.*Hα-helixtrans-63.5-45.6176.4-61.5174.9000110I907 K912 I913 S914I907-I910 PolarHBondContact O-N 3.43Å; I910-K912 VanDerWaalsContact C-N 3.3Å; I910-K912 PolarHBondContact O-N 3.45Å; I910-I913 PolarHBondContact O-N 2.96Å; I910-S914 PolarHBondContact O-N 2.79Å; I910-S914 PolarHBondContact O-OG 3.17Å; I910-S914 VanDerWaalsContact O-OG 3.11Å
911I57.5Low52Low94 Ų94105.6 Ų105.648%0.48259%0.591SS.*Hα-helixtrans-60.7-40177.3-67170.6000111.3I907 L915I907-I911 HydrophobicContact CG2-CD1 3.95Å; I907-I911 HydrophobicContact CG2-CG1 4.46Å; I907-I911 WeakPolarHBondContact O-CG1 3.3Å; I907-I911 PolarHBondContact O-N 3.13Å; I907-I911 VanDerWaalsContact O-N 3.15Å; I911-L915 HydrophobicContact CG2-CD1 4.04Å; I911-L915 WeakPolarHBondContact O-CB 3.33Å; I911-L915 PolarHBondContact O-N 2.85Å
912K52.8Low53.7Low157 Ų157109.9 Ų109.968%0.68359%0.587SS**Hα-helixtrans-62.8-46.9175.6-91.8-174.7173.9-176.50111.9T908 S909 I910 S914 L915 T916T908-K912 PolarHBondContact O-N 3.27Å; S909-K912 PolarHBondContact O-N 2.92Å; I910-K912 VanDerWaalsContact C-N 3.3Å; I910-K912 PolarHBondContact O-N 3.45Å; K912-S914 PolarHBondContact O-N 3.09Å; K912-L915 PolarHBondContact O-N 3.4Å; K912-T916 PolarHBondContact O-N 3.26Å; K912-T916 PolarHBondContact O-OG1 3.29Å
913I67.7Low55.1Low102 Ų102102.4 Ų102.452%0.52356%0.56SS.*Hα-helixtrans-62.4-45.2179.4-66.1165.5000110.4S909 I910 L915 T916 V917S909-I913 WeakPolarHBondContact O-CG1 3.34Å; S909-I913 PolarHBondContact O-N 3.45Å; I910-I913 PolarHBondContact O-N 2.96Å; I913-L915 VanDerWaalsContact C-N 3.35Å; I913-L915 PolarHBondContact O-N 3.09Å; I913-T916 PolarHBondContact O-N 3.29Å; I913-V917 HydrophobicContact CG2-CG2 4.4Å; I913-V917 WeakPolarHBondContact O-CG2 3.45Å; I913-V917 PolarHBondContact O-N 3.5Å
914S65.4Low56.4Low64 Ų6498.3 Ų98.345%0.44855%0.546SS..Hα-helixtrans-61.9-40.1177.7-57.50000112.6I910 K912 L918I910-S914 PolarHBondContact O-N 2.79Å; I910-S914 PolarHBondContact O-OG 3.17Å; I910-S914 VanDerWaalsContact O-OG 3.11Å; K912-S914 PolarHBondContact O-N 3.09Å; S914-L918 WeakPolarHBondContact O-CB 3.46Å; S914-L918 PolarHBondContact O-N 3.5Å
915L64.2Low56.9Low104 Ų10493.9 Ų93.955%0.54553%0.525SS..Hα-helixtrans-66.9-41174.5-102.8148.4000112.1I911 K912 I913 L918 V919I911-L915 HydrophobicContact CG2-CD1 4.04Å; I911-L915 WeakPolarHBondContact O-CB 3.33Å; I911-L915 PolarHBondContact O-N 2.85Å; K912-L915 PolarHBondContact O-N 3.4Å; I913-L915 VanDerWaalsContact C-N 3.35Å; I913-L915 PolarHBondContact O-N 3.09Å; L915-L918 PolarHBondContact O-N 3Å; L915-V919 WeakPolarHBondContact O-CB 3.49Å; L915-V919 VanDerWaalsContact O-CG2 3.26Å; L915-V919 WeakPolarHBondContact O-CG2 3.25Å; L915-V919 PolarHBondContact O-N 3.4Å
916T70.5Confident57.8Low80 Ų8092.6 Ų92.649%0.49152%0.517SS..Hα-helixtrans-64.1-42177.1-56.10000111.3K912 I913 V919 I920K912-T916 PolarHBondContact O-N 3.26Å; K912-T916 PolarHBondContact O-OG1 3.29Å; I913-T916 PolarHBondContact O-N 3.29Å; T916-V919 PolarHBondContact O-N 3.32Å; T916-I920 HydrophobicContact CG2-CD1 3.83Å; T916-I920 HydrophobicContact CG2-CG1 4.45Å; T916-I920 WeakPolarHBondContact O-CB 3.33Å; T916-I920 VanDerWaalsContact O-CG1 3.25Å; T916-I920 WeakPolarHBondContact O-CG1 3.3Å; T916-I920 PolarHBondContact O-N 3.16Å
917V72.7Confident58.6Low95 Ų9593.1 Ų93.158%0.57651%0.513SS*.Hα-helixtrans-64.5-40.3175.4173.30000111.3I913 I920 G921I913-V917 HydrophobicContact CG2-CG2 4.4Å; I913-V917 WeakPolarHBondContact O-CG2 3.45Å; I913-V917 PolarHBondContact O-N 3.5Å; V917-I920 PolarHBondContact O-N 3.1Å; V917-G921 PolarHBondContact O-N 3.48Å
918L65.5Low58.4Low127 Ų12789.9 Ų89.967%0.66551%0.505SS*.Hα-helixtrans-65.9-39.9175.9-112.7153.2000112.6S914 L915 G921 Y922S914-L918 WeakPolarHBondContact O-CB 3.46Å; S914-L918 PolarHBondContact O-N 3.5Å; L915-L918 PolarHBondContact O-N 3Å; L918-G921 PolarHBondContact O-N 3.4Å; L918-Y922 WeakPolarHBondContact O-CB 3.31Å; L918-Y922 PolarHBondContact O-N 3.31Å
919V67.6Low58.4Low91 Ų9192.1 Ų92.155%0.55251%0.511SS*.Hα-helixtrans-68.6-42.3177.2171.10000111L915 T916 Y922 A923L915-V919 WeakPolarHBondContact O-CB 3.49Å; L915-V919 VanDerWaalsContact O-CG2 3.26Å; L915-V919 WeakPolarHBondContact O-CG2 3.25Å; L915-V919 PolarHBondContact O-N 3.4Å; T916-V919 PolarHBondContact O-N 3.32Å; V919-Y922 PolarHBondContact O-N 3.25Å; V919-A923 WeakPolarHBondContact O-CB 3.39Å; V919-A923 PolarHBondContact O-N 2.73Å
920I69.8Low58.1Low91 Ų9196.2 Ų96.247%0.46753%0.528SS..Hα-helixtrans-64.6-43.5174.9-68.3168.9000110.4T916 V917 Y922 A923 L924T916-I920 HydrophobicContact CG2-CD1 3.83Å; T916-I920 HydrophobicContact CG2-CG1 4.45Å; T916-I920 WeakPolarHBondContact O-CB 3.33Å; T916-I920 VanDerWaalsContact O-CG1 3.25Å; T916-I920 WeakPolarHBondContact O-CG1 3.3Å; T916-I920 PolarHBondContact O-N 3.16Å; V917-I920 PolarHBondContact O-N 3.1Å; I920-Y922 VanDerWaalsContact C-N 3.35Å; I920-Y922 PolarHBondContact O-N 3.5Å; I920-A923 PolarHBondContact O-N 3Å; I920-L924 HydrophobicContact CG2-CD1 3.77Å; I920-L924 HydrophobicContact CG2-CG 4.36Å; I920-L924 WeakPolarHBondContact O-CB 3.36Å; I920-L924 WeakPolarHBondContact O-CG 3.3Å; I920-L924 PolarHBondContact O-N 2.85Å
921G55.5Low57.2Low42 Ų4299.5 Ų99.543%0.43354%0.539SS..Hα-helixtrans-62.5-38.7176.300000113V917 L918 G925V917-G921 PolarHBondContact O-N 3.48Å; L918-G921 PolarHBondContact O-N 3.4Å; G921-G925 PolarHBondContact O-N 3.37Å
922Y62.9Low56.2Low159 Ų159100.5 Ų100.562%0.62455%0.554SS**Hα-helixtrans-70.6-39.4175.1-174.2-97.2000112.4L918 V919 I920 G925 K926L918-Y922 WeakPolarHBondContact O-CB 3.31Å; L918-Y922 PolarHBondContact O-N 3.31Å; V919-Y922 PolarHBondContact O-N 3.25Å; I920-Y922 VanDerWaalsContact C-N 3.35Å; I920-Y922 PolarHBondContact O-N 3.5Å; Y922-G925 PolarHBondContact O-N 2.88Å; Y922-K926 HydrophobicContact CE1-CD 4.27Å; Y922-K926 HydrophobicContact CE1-CG 4.41Å; Y922-K926 PolarHBondContact O-N 3.27Å
923A58.4Low56.4Low45 Ų4597.7 Ų97.737%0.37255%0.548SS..Hα-helixtrans-63.7-46.2174.700000111.1V919 I920 G925 K926 I927V919-A923 WeakPolarHBondContact O-CB 3.39Å; V919-A923 PolarHBondContact O-N 2.73Å; I920-A923 PolarHBondContact O-N 3Å; A923-G925 VanDerWaalsContact C-N 3.35Å; A923-G925 PolarHBondContact O-N 3.01Å; A923-K926 PolarHBondContact O-N 3.33Å; A923-I927 WeakPolarHBondContact O-CB 3.38Å; A923-I927 WeakPolarHBondContact O-CG1 3.49Å; A923-I927 PolarHBondContact O-N 3.06Å
924L57Low55.8Low102 Ų10297.4 Ų97.453%0.53455%0.549SS..Hα-helixtrans-63.6-37.6174.7-75.8168.7000112.2I920 I927 A928I920-L924 HydrophobicContact CG2-CD1 3.77Å; I920-L924 HydrophobicContact CG2-CG 4.36Å; I920-L924 WeakPolarHBondContact O-CB 3.36Å; I920-L924 WeakPolarHBondContact O-CG 3.3Å; I920-L924 PolarHBondContact O-N 2.85Å; L924-I927 PolarHBondContact O-N 3.05Å; L924-A928 VanDerWaalsContact O-CB 3.26Å; L924-A928 WeakPolarHBondContact O-CB 3.41Å; L924-A928 PolarHBondContact O-N 3.45Å
925G47Very low55.2Low37 Ų3799.3 Ų99.338%0.38156%0.555SS.*Hα-helixtrans-66-35.4175.100000113.5G921 Y922 A923 M929G921-G925 PolarHBondContact O-N 3.37Å; Y922-G925 PolarHBondContact O-N 2.88Å; A923-G925 VanDerWaalsContact C-N 3.35Å; A923-G925 PolarHBondContact O-N 3.01Å; G925-M929 PolarHBondContact O-N 3.16Å; G925-M929 VanDerWaalsContact O-N 3.11Å
926K54.2Low54.7Low116 Ų11699 Ų9950%0.50456%0.556SS.*Hα-helixtrans-73.9-37.2172.6-95.2-155.5172.8-1670113Y922 A923 M929 L930Y922-K926 HydrophobicContact CE1-CD 4.27Å; Y922-K926 HydrophobicContact CE1-CG 4.41Å; Y922-K926 PolarHBondContact O-N 3.27Å; A923-K926 PolarHBondContact O-N 3.33Å; K926-M929 PolarHBondContact O-N 3.48Å; K926-L930 WeakPolarHBondContact O-CB 3.33Å; K926-L930 PolarHBondContact O-N 2.91Å
927I51.1Low53.7Low80 Ų80100.2 Ų100.241%0.4156%0.56SS.*Hα-helixtrans-64.7-46.8174.7-72.5169.2000109.1A923 L924 M929 L930 F931A923-I927 WeakPolarHBondContact O-CB 3.38Å; A923-I927 WeakPolarHBondContact O-CG1 3.49Å; A923-I927 PolarHBondContact O-N 3.06Å; L924-I927 PolarHBondContact O-N 3.05Å; I927-M929 VanDerWaalsContact C-N 3.3Å; I927-M929 PolarHBondContact O-N 3.35Å; I927-L930 CarbonylContact O-C 3.52Å; I927-L930 WeakPolarHBondContact O-CA 3.4Å; I927-L930 WeakPolarHBondContact O-CB 3.47Å; I927-L930 PolarHBondContact O-N 2.79Å; I927-F931 HydrophobicContact CG2-CD2 3.44Å; I927-F931 VanDerWaalsContact CG2-CD2 3.44Å; I927-F931 HydrophobicContact CG2-CE2 3.57Å; I927-F931 VanDerWaalsContact O-CD2 3.25Å; I927-F931 WeakPolarHBondContact O-CD2 3.42Å; I927-F931 PolarHBondContact O-N 3.25Å
928A43.9Very low52.4Low60 Ų60100.5 Ų100.550%0.49656%0.558SS.*Hα-helixtrans-61.1-34.7175.200000113.1L924 L930 F931 S932L924-A928 VanDerWaalsContact O-CB 3.26Å; L924-A928 WeakPolarHBondContact O-CB 3.41Å; L924-A928 PolarHBondContact O-N 3.45Å; A928-L930 VanDerWaalsContact C-N 3.33Å; A928-F931 PolarHBondContact O-N 3.33Å; A928-S932 PolarHBondContact O-N 2.77Å
929M44.1Very low51.5Low144 Ų14498.6 Ų98.671%0.70955%0.551SS**Hα-helixtrans-76.7-14171.7-92.6-153.2-76.600114.7G925 K926 I927G925-M929 PolarHBondContact O-N 3.16Å; G925-M929 VanDerWaalsContact O-N 3.11Å; K926-M929 PolarHBondContact O-N 3.48Å; I927-M929 VanDerWaalsContact C-N 3.3Å; I927-M929 PolarHBondContact O-N 3.35Å
930L35.3Very low50.3Low138 Ų13899.2 Ų99.272%0.72355%0.551SS**Hα-helixtrans-91-25.3170.8-85.2156.7000111.5K926 I927 A928K926-L930 WeakPolarHBondContact O-CB 3.33Å; K926-L930 PolarHBondContact O-N 2.91Å; I927-L930 CarbonylContact O-C 3.52Å; I927-L930 WeakPolarHBondContact O-CA 3.4Å; I927-L930 WeakPolarHBondContact O-CB 3.47Å; I927-L930 PolarHBondContact O-N 2.79Å; A928-L930 VanDerWaalsContact C-N 3.33Å
931F37.7Very low48.6Very low162 Ų16299.9 Ų99.971%0.71156%0.558SS**Hα-helixtrans-90.6-16.4176.6-82.2-75.5000113.9I927 A928I927-F931 HydrophobicContact CG2-CD2 3.44Å; I927-F931 VanDerWaalsContact CG2-CD2 3.44Å; I927-F931 HydrophobicContact CG2-CE2 3.57Å; I927-F931 VanDerWaalsContact O-CD2 3.25Å; I927-F931 WeakPolarHBondContact O-CD2 3.42Å; I927-F931 PolarHBondContact O-N 3.25Å; A928-F931 PolarHBondContact O-N 3.33Å
932S36.5Very low48Very low114 Ų114105.2 Ų105.280%0.79757%0.569SS**  trans-89.30162.3840000110.4A928A928-S932 PolarHBondContact O-N 2.77Å

Retrieved 932 of 932 residues in 511.3 ms (Link to these results)

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